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 1gt8_1_A DATA FIRST_RESID 2 DATA SEQUENCE APVLSKDVAD IESILALNPR TQSHAALHST LAKKLDKKHW KRNPDKNCFH DATA SEQUENCE CEKLENNFDD IKHTTLGERG ALREAMRCLK CADAPCQKSC PTHLDIKSFI DATA SEQUENCE TSISNKNYYG AAKMIFSDNP LGLTCGMVCP TSDLCVGGCN LYATEEGSIN DATA SEQUENCE IGGLQQFASE VFKAMNIPQI RNPCLPSQEK MPEAYSAKIA LLGAGPASIS DATA SEQUENCE CASFLARLGY SDITIFEKQE YVGGLSTSEI PQFRLPYDVV NFEIELMKDL DATA SEQUENCE GVKIICGKSL SENEITLNTL KEEGYKAAFI GIGLPEPKTD DIFQGLTQDQ DATA SEQUENCE GFYTSKDFLP LVAKSSKAGM CACHSPLPSI RGAVIVLGAG DTAFDCATSA DATA SEQUENCE LRCGARRVFL VFRKGFVNIR AVPEEVELAK EEKCEFLPFL SPRKVIVKGG DATA SEQUENCE RIVAVQFVRT EQDETGKWNE DEDQIVHLKA DVVISAFGSV LRDPKVKEAL DATA SEQUENCE SPIKFNRWDL PEVDPETMQT SEPWVFAGGD IVGMANTTVE SVNDGKQASW DATA SEQUENCE YIHKYIQAQY GASVSAKPEL PLFYTPVDLV DISVEMAGLK FINPFGLASA DATA SEQUENCE APTTSSSMIR RAFEAGWGFA LTKTFSLDKD IVTNVSPRIV RGTTSGPMYG DATA SEQUENCE PGQSSFLNIE LISEKTAAYW CQSVTELKAD FPDNIVIASI MCSYNKNDWM DATA SEQUENCE ELSRKAEASG ADALELNLSC PHGMGEXXMG LACGQDPELV RNICRWVRQA DATA SEQUENCE VQIPFFAKLT PNVTDIVSIA RAAKEGGADG VTATNTVSGL MGLKADGTPW DATA SEQUENCE PAVGAGKRTT YGGVSGTAIR PIALRAVTTI ARALPGFPIL ATGGIDSAES DATA SEQUENCE GLQFLHSGAS VLQVCSAVQN QDFTVIQDYC TGLKALLYLK SIEELQGWDG DATA SEQUENCE QSPGTESHQK GKPVPRIAEL MGKKLPNFGP YLEQRKKIIA EEKMRLKEQN DATA SEQUENCE AAFPPLERKP FIPKKPIPAI KDVIGKALQY LGTFGELSNI EQVVAVIDEE DATA SEQUENCE MCINCGKCYM TCNDSGYQAI QFDPETHLPT VTDTCTGCTL CLSVCPIIDC DATA SEQUENCE IRMVSRTTPY EPKRGLPLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.586 177.584 0.004 0.000 1.274 2 A CA 0.000 52.039 52.037 0.003 0.000 0.836 2 A CB 0.000 19.001 19.000 0.002 0.000 0.831 3 P HA 0.213 nan 4.420 nan 0.000 0.273 3 P C -0.030 177.273 177.300 0.005 0.000 1.237 3 P CA -0.322 62.781 63.100 0.006 0.000 0.813 3 P CB 0.364 32.068 31.700 0.007 0.000 0.930 4 V N 1.827 121.744 119.914 0.006 0.000 2.387 4 V HA 0.007 4.127 4.120 -0.000 0.000 0.260 4 V C 1.707 177.805 176.094 0.006 0.000 1.054 4 V CA 0.107 62.410 62.300 0.005 0.000 0.967 4 V CB -0.113 31.713 31.823 0.005 0.000 1.036 4 V HN 0.503 nan 8.190 nan 0.000 0.481 5 L N 3.710 124.936 121.223 0.005 0.000 2.046 5 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 5 L C 2.133 179.007 176.870 0.006 0.000 1.077 5 L CA 1.728 56.572 54.840 0.007 0.000 0.747 5 L CB -0.234 41.828 42.059 0.006 0.000 0.896 5 L HN 0.849 nan 8.230 nan 0.000 0.432 6 S N -0.992 114.709 115.700 0.003 0.000 2.767 6 S HA 0.192 4.662 4.470 -0.000 0.000 0.253 6 S C 0.165 174.764 174.600 -0.000 0.000 1.082 6 S CA -0.397 57.803 58.200 -0.000 0.000 1.148 6 S CB -0.267 62.931 63.200 -0.003 0.000 0.808 6 S HN 0.207 nan 8.310 nan 0.000 0.466 7 K N 1.240 121.642 120.400 0.003 0.000 2.513 7 K HA 0.263 4.583 4.320 -0.000 0.000 0.251 7 K C -1.409 175.196 176.600 0.009 0.000 0.939 7 K CA -0.601 55.688 56.287 0.005 0.000 0.793 7 K CB 1.386 33.889 32.500 0.006 0.000 1.241 7 K HN 0.283 nan 8.250 nan 0.000 0.431 8 D N 2.660 123.065 120.400 0.009 0.000 2.424 8 D HA 0.019 4.659 4.640 -0.000 0.000 0.244 8 D C 0.556 176.867 176.300 0.019 0.000 1.134 8 D CA 0.081 54.090 54.000 0.015 0.000 0.881 8 D CB 1.108 41.917 40.800 0.015 0.000 1.191 8 D HN 0.239 nan 8.370 nan 0.000 0.445 9 V N -0.332 119.596 119.914 0.023 0.000 3.133 9 V HA 0.328 4.448 4.120 -0.000 0.000 0.305 9 V C 1.571 177.682 176.094 0.027 0.000 1.084 9 V CA -0.206 62.108 62.300 0.023 0.000 1.089 9 V CB 0.880 32.717 31.823 0.024 0.000 1.073 9 V HN 0.646 nan 8.190 nan 0.000 0.477 10 A N 0.710 123.545 122.820 0.025 0.000 1.915 10 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 10 A C 1.730 179.335 177.584 0.035 0.000 1.198 10 A CA 2.498 54.552 52.037 0.028 0.000 0.647 10 A CB -1.042 17.973 19.000 0.025 0.000 0.825 10 A HN 1.026 nan 8.150 nan 0.000 0.456 11 D N -0.326 120.095 120.400 0.036 0.000 2.144 11 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 11 D C 1.819 178.150 176.300 0.053 0.000 0.984 11 D CA 1.133 55.159 54.000 0.043 0.000 0.834 11 D CB -0.230 40.595 40.800 0.040 0.000 0.955 11 D HN 0.394 nan 8.370 nan 0.000 0.465 12 I N 0.695 121.295 120.570 0.050 0.000 2.500 12 I HA -0.092 4.078 4.170 -0.000 0.000 0.252 12 I C 2.244 178.395 176.117 0.058 0.000 1.142 12 I CA 0.618 61.953 61.300 0.058 0.000 1.451 12 I CB -0.968 37.061 38.000 0.049 0.000 1.093 12 I HN 0.070 nan 8.210 nan 0.000 0.430 13 E N 0.528 120.757 120.200 0.047 0.000 2.150 13 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 13 E C 2.360 178.998 176.600 0.062 0.000 0.985 13 E CA 1.240 57.667 56.400 0.046 0.000 0.814 13 E CB 0.180 29.902 29.700 0.036 0.000 0.752 13 E HN 0.284 nan 8.360 nan 0.000 0.466 14 S N 0.131 115.869 115.700 0.064 0.000 2.387 14 S HA -0.071 4.399 4.470 -0.000 0.000 0.226 14 S C 1.940 176.601 174.600 0.102 0.000 1.026 14 S CA 0.591 58.835 58.200 0.073 0.000 0.972 14 S CB -0.151 63.085 63.200 0.060 0.000 0.814 14 S HN 0.395 nan 8.310 nan 0.000 0.477 15 I N 0.779 121.417 120.570 0.113 0.000 2.493 15 I HA -0.011 4.159 4.170 -0.000 0.000 0.254 15 I C 1.096 177.367 176.117 0.257 0.000 1.160 15 I CA 0.945 62.344 61.300 0.164 0.000 1.445 15 I CB 0.081 38.172 38.000 0.152 0.000 1.086 15 I HN 0.315 nan 8.210 nan 0.000 0.433 16 L N 0.118 121.448 121.223 0.178 0.000 2.591 16 L HA 0.142 4.482 4.340 -0.000 0.000 0.228 16 L C 2.462 179.437 176.870 0.177 0.000 1.133 16 L CA 0.278 55.208 54.840 0.150 0.000 0.880 16 L CB -0.456 41.627 42.059 0.040 0.000 1.033 16 L HN 0.165 nan 8.230 nan 0.000 0.450 17 A N 0.736 123.669 122.820 0.187 0.000 1.940 17 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 17 A C 2.022 179.720 177.584 0.190 0.000 1.190 17 A CA 1.816 53.947 52.037 0.155 0.000 0.647 17 A CB -0.522 18.556 19.000 0.130 0.000 0.821 17 A HN 0.470 nan 8.150 nan 0.000 0.457 18 L N -0.780 120.633 121.223 0.318 0.000 2.607 18 L HA 0.110 4.450 4.340 -0.000 0.000 0.228 18 L C 0.564 177.665 176.870 0.385 0.000 1.123 18 L CA -0.492 54.564 54.840 0.359 0.000 0.890 18 L CB -0.451 41.850 42.059 0.404 0.000 1.103 18 L HN 0.311 nan 8.230 nan 0.000 0.468 19 N N 1.964 120.785 118.700 0.202 0.000 2.492 19 N HA 0.085 4.825 4.740 -0.000 0.000 0.260 19 N C -2.230 173.262 175.510 -0.030 0.000 1.215 19 N CA -1.181 51.806 53.050 -0.106 0.000 0.923 19 N CB 0.604 38.950 38.487 -0.235 0.000 1.092 19 N HN -0.093 nan 8.380 nan 0.000 0.448 20 P HA 0.175 nan 4.420 nan 0.000 0.271 20 P C -1.146 176.130 177.300 -0.040 0.000 1.216 20 P CA 0.221 63.298 63.100 -0.038 0.000 0.771 20 P CB 0.659 32.326 31.700 -0.055 0.000 0.864 21 R N 1.121 121.611 120.500 -0.017 0.000 2.564 21 R HA 0.365 4.705 4.340 -0.000 0.000 0.284 21 R C -0.371 175.925 176.300 -0.008 0.000 1.031 21 R CA -0.635 55.456 56.100 -0.015 0.000 0.904 21 R CB 1.748 32.046 30.300 -0.003 0.000 1.199 21 R HN 0.341 nan 8.270 nan 0.000 0.443 22 T N 2.927 117.473 114.554 -0.014 0.000 2.901 22 T HA 0.057 4.407 4.350 -0.000 0.000 0.301 22 T C 0.271 174.969 174.700 -0.003 0.000 1.012 22 T CA -0.085 62.008 62.100 -0.012 0.000 1.135 22 T CB 0.738 69.593 68.868 -0.020 0.000 0.936 22 T HN 0.332 nan 8.240 nan 0.000 0.539 23 Q N 1.201 121.004 119.800 0.004 0.000 2.340 23 Q HA 0.217 4.557 4.340 -0.000 0.000 0.249 23 Q C 1.141 177.136 176.000 -0.009 0.000 0.957 23 Q CA -0.437 55.376 55.803 0.018 0.000 0.882 23 Q CB 0.814 29.574 28.738 0.037 0.000 1.235 23 Q HN 0.865 nan 8.270 nan 0.000 0.439 24 S N 0.612 116.309 115.700 -0.005 0.000 2.486 24 S HA 0.058 4.528 4.470 -0.000 0.000 0.220 24 S C 0.027 174.425 174.600 -0.336 0.000 1.011 24 S CA 0.213 58.331 58.200 -0.137 0.000 0.921 24 S CB 0.154 63.296 63.200 -0.096 0.000 0.785 24 S HN 0.601 nan 8.310 nan 0.000 0.517 25 H N 0.200 119.269 119.070 -0.002 0.000 2.941 25 H HA 0.769 5.325 4.556 0.000 0.000 0.344 25 H C -0.217 175.111 175.328 0.001 0.000 1.235 25 H CA -0.420 55.626 56.048 -0.003 0.000 1.149 25 H CB 1.234 30.992 29.762 -0.007 0.000 1.885 25 H HN 0.304 nan 8.280 nan 0.000 0.558 26 A N 0.730 123.635 122.820 0.141 0.000 2.386 26 A HA 0.599 4.919 4.320 -0.000 0.000 0.248 26 A C 0.128 177.754 177.584 0.071 0.000 1.082 26 A CA 0.054 52.139 52.037 0.079 0.000 0.789 26 A CB -0.222 18.812 19.000 0.058 0.000 1.025 26 A HN 0.783 nan 8.150 nan 0.000 0.490 27 A N 0.693 123.555 122.820 0.070 0.000 2.388 27 A HA 0.526 4.846 4.320 -0.000 0.000 0.257 27 A C -0.409 177.187 177.584 0.021 0.000 1.095 27 A CA -0.229 51.852 52.037 0.074 0.000 0.791 27 A CB 0.092 19.209 19.000 0.196 0.000 1.029 27 A HN 1.276 nan 8.150 nan 0.000 0.489 28 L N 3.825 124.961 121.223 -0.145 0.000 2.294 28 L HA 0.509 4.849 4.340 -0.000 0.000 0.283 28 L C -1.000 175.622 176.870 -0.414 0.000 1.015 28 L CA 0.208 54.941 54.840 -0.177 0.000 0.831 28 L CB 0.553 42.520 42.059 -0.153 0.000 1.217 28 L HN 0.720 nan 8.230 nan 0.000 0.420 29 H N 2.879 121.956 119.070 0.011 0.000 3.181 29 H HA 0.271 4.827 4.556 -0.000 0.000 0.331 29 H C -0.368 174.968 175.328 0.014 0.000 0.988 29 H CA -0.493 55.563 56.048 0.015 0.000 1.449 29 H CB 1.830 31.603 29.762 0.019 0.000 1.749 29 H HN 0.664 nan 8.280 nan 0.000 0.501 30 S N 2.000 117.761 115.700 0.102 0.000 2.559 30 S HA -0.054 4.416 4.470 -0.000 0.000 0.282 30 S C 1.197 175.841 174.600 0.074 0.000 1.336 30 S CA 0.297 58.537 58.200 0.067 0.000 1.037 30 S CB 0.875 64.103 63.200 0.046 0.000 0.853 30 S HN 0.584 nan 8.310 nan 0.000 0.523 31 T N 2.328 116.913 114.554 0.051 0.000 2.803 31 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 31 T C 1.569 176.294 174.700 0.042 0.000 1.052 31 T CA 1.370 63.496 62.100 0.044 0.000 1.136 31 T CB -0.467 68.420 68.868 0.032 0.000 0.864 31 T HN 0.562 nan 8.240 nan 0.000 0.467 32 L N 1.614 122.860 121.223 0.040 0.000 2.044 32 L HA 0.213 4.553 4.340 -0.000 0.000 0.205 32 L C 2.642 179.537 176.870 0.043 0.000 1.075 32 L CA 1.850 56.711 54.840 0.035 0.000 0.747 32 L CB -1.268 40.809 42.059 0.029 0.000 0.903 32 L HN 0.198 nan 8.230 nan 0.000 0.435 33 A N -0.505 122.349 122.820 0.056 0.000 1.948 33 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 33 A C 2.287 179.911 177.584 0.066 0.000 1.177 33 A CA 1.790 53.868 52.037 0.069 0.000 0.636 33 A CB -0.546 18.517 19.000 0.105 0.000 0.815 33 A HN 0.413 nan 8.150 nan 0.000 0.449 34 K N 0.043 120.480 120.400 0.062 0.000 2.002 34 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 34 K C 1.982 178.614 176.600 0.053 0.000 1.048 34 K CA 1.604 57.920 56.287 0.048 0.000 0.930 34 K CB -0.468 32.055 32.500 0.039 0.000 0.714 34 K HN 0.533 nan 8.250 nan 0.000 0.438 35 K N 0.762 121.189 120.400 0.044 0.000 2.059 35 K HA -0.140 4.180 4.320 -0.000 0.000 0.212 35 K C 2.256 178.880 176.600 0.040 0.000 1.050 35 K CA 1.479 57.789 56.287 0.039 0.000 0.927 35 K CB -0.306 32.211 32.500 0.029 0.000 0.714 35 K HN 0.080 nan 8.250 nan 0.000 0.447 36 L N 0.332 121.577 121.223 0.037 0.000 2.083 36 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 36 L C 2.156 179.048 176.870 0.036 0.000 1.083 36 L CA 1.167 56.024 54.840 0.028 0.000 0.752 36 L CB -0.415 41.657 42.059 0.021 0.000 0.899 36 L HN 0.203 nan 8.230 nan 0.000 0.433 37 D N 0.156 120.595 120.400 0.065 0.000 2.213 37 D HA -0.159 4.481 4.640 -0.000 0.000 0.205 37 D C 2.182 178.596 176.300 0.191 0.000 0.961 37 D CA 0.736 54.804 54.000 0.115 0.000 0.853 37 D CB 0.158 41.048 40.800 0.149 0.000 0.967 37 D HN 0.047 nan 8.370 nan 0.000 0.496 38 K N 0.529 121.028 120.400 0.165 0.000 2.113 38 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 38 K C 1.658 178.352 176.600 0.156 0.000 1.047 38 K CA 1.190 57.593 56.287 0.195 0.000 0.928 38 K CB 0.078 32.642 32.500 0.107 0.000 0.716 38 K HN 0.076 nan 8.250 nan 0.000 0.446 39 K N -0.860 119.582 120.400 0.069 0.000 2.442 39 K HA -0.172 4.148 4.320 -0.000 0.000 0.198 39 K C 1.799 178.378 176.600 -0.034 0.000 1.042 39 K CA 1.109 57.408 56.287 0.020 0.000 0.958 39 K CB -0.178 32.320 32.500 -0.004 0.000 0.766 39 K HN 0.346 nan 8.250 nan 0.000 0.474 40 H N -0.804 118.119 119.070 -0.246 0.000 2.470 40 H HA -0.088 4.468 4.556 -0.000 0.000 0.289 40 H C 0.798 175.822 175.328 -0.507 0.000 1.033 40 H CA 1.359 57.109 56.048 -0.496 0.000 1.331 40 H CB 0.193 29.449 29.762 -0.843 0.000 1.414 40 H HN 0.242 nan 8.280 nan 0.000 0.545 41 W N 0.178 121.529 121.300 0.085 0.000 3.103 41 W HA 0.256 4.916 4.660 0.000 0.000 0.325 41 W C 0.382 176.878 176.519 -0.040 0.000 1.170 41 W CA -0.776 56.492 57.345 -0.128 0.000 1.712 41 W CB 0.225 29.548 29.460 -0.228 0.000 1.068 41 W HN -0.186 nan 8.180 nan 0.000 0.592 42 K N 2.098 122.597 120.400 0.165 0.000 2.477 42 K HA -0.105 4.215 4.320 -0.000 0.000 0.275 42 K C 1.214 177.896 176.600 0.138 0.000 1.054 42 K CA 0.697 57.054 56.287 0.117 0.000 1.135 42 K CB 0.408 32.946 32.500 0.063 0.000 0.854 42 K HN -0.062 nan 8.250 nan 0.000 0.484 43 R N 1.835 122.397 120.500 0.104 0.000 2.164 43 R HA 0.069 4.409 4.340 -0.000 0.000 0.198 43 R C 0.437 176.771 176.300 0.057 0.000 1.028 43 R CA 0.427 56.589 56.100 0.104 0.000 1.083 43 R CB -0.343 30.005 30.300 0.080 0.000 1.026 43 R HN 0.833 nan 8.270 nan 0.000 0.514 44 N N 1.560 120.280 118.700 0.034 0.000 2.491 44 N HA 0.274 5.014 4.740 -0.000 0.000 0.279 44 N C -2.673 172.839 175.510 0.003 0.000 1.236 44 N CA -1.690 51.366 53.050 0.010 0.000 0.982 44 N CB -0.648 37.841 38.487 0.003 0.000 1.194 44 N HN -0.269 nan 8.380 nan 0.000 0.582 45 P HA 0.061 nan 4.420 nan 0.000 0.267 45 P C -0.775 176.508 177.300 -0.030 0.000 1.200 45 P CA 0.218 63.306 63.100 -0.020 0.000 0.772 45 P CB 0.270 31.959 31.700 -0.019 0.000 0.855 46 D N 2.116 122.486 120.400 -0.048 0.000 2.380 46 D HA 0.015 4.655 4.640 -0.000 0.000 0.230 46 D C 1.123 177.355 176.300 -0.113 0.000 1.154 46 D CA -0.277 53.681 54.000 -0.071 0.000 0.859 46 D CB 0.743 41.496 40.800 -0.079 0.000 1.045 46 D HN 0.345 nan 8.370 nan 0.000 0.495 47 K N 2.665 123.007 120.400 -0.098 0.000 2.360 47 K HA -0.119 4.201 4.320 -0.000 0.000 0.201 47 K C 0.609 177.078 176.600 -0.218 0.000 1.046 47 K CA 1.052 57.270 56.287 -0.115 0.000 0.940 47 K CB 0.183 32.642 32.500 -0.069 0.000 0.748 47 K HN 0.156 nan 8.250 nan 0.000 0.465 48 N N 0.119 118.663 118.700 -0.261 0.000 2.325 48 N HA -0.008 4.732 4.740 -0.000 0.000 0.182 48 N C -0.163 174.907 175.510 -0.733 0.000 1.088 48 N CA 0.081 52.873 53.050 -0.429 0.000 0.879 48 N CB 0.171 38.528 38.487 -0.217 0.000 0.983 48 N HN 0.170 nan 8.380 nan 0.000 0.471 49 C N 0.896 119.910 119.300 -0.477 0.000 2.435 49 C HA 0.318 4.778 4.460 -0.000 0.000 0.375 49 C C 1.050 175.782 174.990 -0.430 0.000 1.281 49 C CA -0.461 58.331 59.018 -0.377 0.000 1.963 49 C CB -1.299 26.356 27.740 -0.142 0.000 2.490 49 C HN 0.299 nan 8.230 nan 0.000 0.557 50 F N 3.506 123.491 119.950 0.058 0.000 2.641 50 F HA 0.280 4.807 4.527 -0.000 0.000 0.302 50 F C 1.057 176.924 175.800 0.112 0.000 1.098 50 F CA 0.069 58.109 58.000 0.068 0.000 1.318 50 F CB -0.216 38.823 39.000 0.065 0.000 1.035 50 F HN 0.636 nan 8.300 nan 0.000 0.551 51 H N -0.219 118.913 119.070 0.104 0.000 2.966 51 H HA 0.242 4.798 4.556 0.000 0.000 0.347 51 H C -1.127 174.212 175.328 0.019 0.000 1.048 51 H CA -0.994 55.093 56.048 0.064 0.000 1.295 51 H CB 1.866 31.667 29.762 0.065 0.000 1.744 51 H HN 0.082 nan 8.280 nan 0.000 0.513 52 C N 6.234 125.273 119.300 -0.435 0.000 2.536 52 C HA 0.145 4.605 4.460 -0.000 0.000 0.396 52 C C 0.913 175.760 174.990 -0.238 0.000 1.279 52 C CA -0.297 58.566 59.018 -0.260 0.000 2.148 52 C CB -0.397 27.206 27.740 -0.227 0.000 2.584 52 C HN 0.930 nan 8.230 nan 0.000 0.579 53 E N 4.247 124.419 120.200 -0.047 0.000 2.570 53 E HA -0.112 4.238 4.350 -0.000 0.000 0.274 53 E C -0.629 175.978 176.600 0.011 0.000 1.073 53 E CA 0.577 56.993 56.400 0.027 0.000 1.005 53 E CB 0.404 30.102 29.700 -0.003 0.000 1.008 53 E HN 0.667 nan 8.360 nan 0.000 0.460 54 K N 2.169 122.615 120.400 0.077 0.000 2.412 54 K HA 0.110 4.430 4.320 -0.000 0.000 0.281 54 K C 0.409 176.999 176.600 -0.016 0.000 1.027 54 K CA 0.013 56.335 56.287 0.058 0.000 0.989 54 K CB 0.509 33.052 32.500 0.072 0.000 0.935 54 K HN 0.469 nan 8.250 nan 0.000 0.475 55 L N 1.962 123.152 121.223 -0.055 0.000 2.857 55 L HA 0.134 4.474 4.340 -0.000 0.000 0.249 55 L C 0.465 177.270 176.870 -0.108 0.000 1.172 55 L CA -0.152 54.621 54.840 -0.113 0.000 0.980 55 L CB 0.238 42.181 42.059 -0.193 0.000 1.299 55 L HN 0.686 nan 8.230 nan 0.000 0.535 56 E N 1.665 121.842 120.200 -0.038 0.000 2.558 56 E HA -0.187 4.163 4.350 -0.000 0.000 0.255 56 E C 0.488 177.105 176.600 0.028 0.000 0.968 56 E CA 0.192 56.592 56.400 0.000 0.000 0.939 56 E CB 0.174 29.897 29.700 0.038 0.000 0.921 56 E HN 0.249 nan 8.360 nan 0.000 0.477 57 N N 3.215 121.965 118.700 0.082 0.000 2.721 57 N HA -0.257 4.483 4.740 -0.000 0.000 0.249 57 N C -1.453 174.190 175.510 0.222 0.000 1.072 57 N CA 0.840 54.063 53.050 0.289 0.000 0.710 57 N CB -0.872 37.763 38.487 0.247 0.000 0.993 57 N HN 0.426 nan 8.380 nan 0.000 0.547 58 N N 0.670 119.309 118.700 -0.101 0.000 2.621 58 N HA 0.210 4.950 4.740 -0.000 0.000 0.237 58 N C -0.879 174.491 175.510 -0.234 0.000 0.997 58 N CA -0.310 52.695 53.050 -0.074 0.000 0.918 58 N CB -0.122 38.299 38.487 -0.110 0.000 1.122 58 N HN 0.174 nan 8.380 nan 0.000 0.510 59 F N 0.723 120.725 119.950 0.087 0.000 2.916 59 F HA 0.309 4.836 4.527 -0.000 0.000 0.294 59 F C 0.544 176.431 175.800 0.143 0.000 1.189 59 F CA -0.722 57.387 58.000 0.182 0.000 1.369 59 F CB 0.107 39.184 39.000 0.128 0.000 0.961 59 F HN 0.134 nan 8.300 nan 0.000 0.508 60 D N 0.427 120.931 120.400 0.173 0.000 2.344 60 D HA -0.018 4.622 4.640 -0.000 0.000 0.244 60 D C -0.068 176.321 176.300 0.148 0.000 1.134 60 D CA -0.086 53.989 54.000 0.126 0.000 0.930 60 D CB 0.746 41.582 40.800 0.060 0.000 1.175 60 D HN 0.085 nan 8.370 nan 0.000 0.437 61 D N 0.694 121.170 120.400 0.128 0.000 2.434 61 D HA -0.038 4.602 4.640 -0.000 0.000 0.252 61 D C 0.990 177.355 176.300 0.109 0.000 1.185 61 D CA 0.055 54.136 54.000 0.136 0.000 0.886 61 D CB 0.211 41.068 40.800 0.095 0.000 1.148 61 D HN 0.429 nan 8.370 nan 0.000 0.483 62 I N -0.152 120.501 120.570 0.139 0.000 4.018 62 I HA 0.221 4.391 4.170 -0.000 0.000 0.337 62 I C 0.268 176.489 176.117 0.174 0.000 1.327 62 I CA -0.718 60.644 61.300 0.103 0.000 1.100 62 I CB 0.013 38.024 38.000 0.019 0.000 1.025 62 I HN -0.000 nan 8.210 nan 0.000 0.396 63 K N 2.099 122.594 120.400 0.159 0.000 2.491 63 K HA 0.010 4.330 4.320 -0.000 0.000 0.279 63 K C 0.292 177.018 176.600 0.210 0.000 1.026 63 K CA 0.279 56.658 56.287 0.155 0.000 1.070 63 K CB 0.391 32.955 32.500 0.107 0.000 0.887 63 K HN 0.419 nan 8.250 nan 0.000 0.481 64 H N 0.685 119.765 119.070 0.017 0.000 2.529 64 H HA -0.073 4.483 4.556 -0.000 0.000 0.277 64 H C 1.781 177.113 175.328 0.007 0.000 0.999 64 H CA 1.344 57.397 56.048 0.007 0.000 1.256 64 H CB 0.494 30.257 29.762 0.003 0.000 1.402 64 H HN 0.715 nan 8.280 nan 0.000 0.566 65 T N -1.737 112.897 114.554 0.134 0.000 3.054 65 T HA -0.032 4.318 4.350 -0.000 0.000 0.259 65 T C 1.148 175.878 174.700 0.050 0.000 1.092 65 T CA -0.013 62.134 62.100 0.077 0.000 1.121 65 T CB -0.342 68.566 68.868 0.067 0.000 0.912 65 T HN -0.033 nan 8.240 nan 0.000 0.489 66 T N 3.198 117.783 114.554 0.051 0.000 2.819 66 T HA 0.227 4.577 4.350 -0.000 0.000 0.282 66 T C -0.153 174.544 174.700 -0.005 0.000 1.013 66 T CA 0.449 62.569 62.100 0.034 0.000 1.159 66 T CB -0.222 68.667 68.868 0.034 0.000 1.007 66 T HN 0.291 nan 8.240 nan 0.000 0.514 67 L N 2.243 123.458 121.223 -0.015 0.000 2.333 67 L HA 0.742 5.082 4.340 -0.000 0.000 0.269 67 L C 0.968 177.735 176.870 -0.171 0.000 1.010 67 L CA -1.065 53.714 54.840 -0.103 0.000 0.818 67 L CB 1.903 43.887 42.059 -0.125 0.000 1.306 67 L HN 0.720 nan 8.230 nan 0.000 0.430 68 G N -0.532 108.085 108.800 -0.305 0.000 2.521 68 G HA2 0.254 4.214 3.960 -0.000 0.000 0.323 68 G HA3 0.254 4.214 3.960 -0.000 0.000 0.323 68 G C 0.345 174.890 174.900 -0.592 0.000 1.211 68 G CA -0.267 44.599 45.100 -0.390 0.000 0.979 68 G HN 0.788 nan 8.290 nan 0.000 0.490 69 E N -0.439 119.446 120.200 -0.525 0.000 2.051 69 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 69 E C 2.264 178.635 176.600 -0.381 0.000 0.991 69 E CA 1.065 57.072 56.400 -0.655 0.000 0.799 69 E CB -0.082 29.508 29.700 -0.183 0.000 0.748 69 E HN 0.504 nan 8.360 nan 0.000 0.449 70 R N -0.000 120.379 120.500 -0.202 0.000 2.094 70 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 70 R C 2.346 178.561 176.300 -0.142 0.000 1.137 70 R CA 1.986 58.022 56.100 -0.106 0.000 0.943 70 R CB -0.812 29.472 30.300 -0.025 0.000 0.850 70 R HN 0.316 nan 8.270 nan 0.000 0.433 71 G N -0.301 108.384 108.800 -0.193 0.000 2.408 71 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 71 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 71 G C 1.557 176.342 174.900 -0.191 0.000 1.150 71 G CA 0.734 45.735 45.100 -0.165 0.000 0.776 71 G HN 0.515 nan 8.290 nan 0.000 0.542 72 A N 0.638 123.253 122.820 -0.341 0.000 1.933 72 A HA 0.093 4.413 4.320 -0.000 0.000 0.218 72 A C 2.395 179.883 177.584 -0.159 0.000 1.175 72 A CA 1.146 52.979 52.037 -0.339 0.000 0.628 72 A CB -0.377 18.120 19.000 -0.838 0.000 0.814 72 A HN 0.355 nan 8.150 nan 0.000 0.444 73 L N -1.277 119.861 121.223 -0.142 0.000 2.141 73 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 73 L C 2.886 179.748 176.870 -0.013 0.000 1.094 73 L CA 1.130 55.959 54.840 -0.017 0.000 0.763 73 L CB -0.429 41.636 42.059 0.009 0.000 0.908 73 L HN 0.389 nan 8.230 nan 0.000 0.437 74 R N -0.103 120.374 120.500 -0.039 0.000 2.055 74 R HA -0.185 4.155 4.340 -0.000 0.000 0.228 74 R C 2.229 178.519 176.300 -0.017 0.000 1.143 74 R CA 1.434 57.520 56.100 -0.024 0.000 0.945 74 R CB -0.247 30.034 30.300 -0.031 0.000 0.841 74 R HN 0.159 nan 8.270 nan 0.000 0.429 75 E N 0.933 121.118 120.200 -0.025 0.000 2.085 75 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 75 E C 1.805 178.404 176.600 -0.001 0.000 0.994 75 E CA 1.710 58.102 56.400 -0.013 0.000 0.801 75 E CB -0.179 29.512 29.700 -0.014 0.000 0.743 75 E HN 0.354 nan 8.360 nan 0.000 0.453 76 A N 0.092 122.919 122.820 0.012 0.000 1.940 76 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 76 A C 2.250 179.843 177.584 0.016 0.000 1.176 76 A CA 1.990 54.044 52.037 0.030 0.000 0.631 76 A CB -0.541 18.507 19.000 0.080 0.000 0.814 76 A HN 0.370 nan 8.150 nan 0.000 0.446 77 M N -1.914 117.696 119.600 0.015 0.000 2.349 77 M HA -0.017 4.463 4.480 -0.000 0.000 0.266 77 M C 2.284 178.587 176.300 0.004 0.000 1.076 77 M CA 1.183 56.490 55.300 0.013 0.000 1.126 77 M CB -0.127 32.481 32.600 0.012 0.000 1.392 77 M HN 0.440 nan 8.290 nan 0.000 0.440 78 R N 0.074 120.573 120.500 -0.001 0.000 2.148 78 R HA -0.033 4.307 4.340 -0.000 0.000 0.223 78 R C 0.665 176.961 176.300 -0.006 0.000 1.088 78 R CA 0.377 56.476 56.100 -0.002 0.000 0.985 78 R CB -0.042 30.255 30.300 -0.005 0.000 0.880 78 R HN 0.397 nan 8.270 nan 0.000 0.451 79 C N 1.274 120.565 119.300 -0.015 0.000 2.596 79 C HA 0.033 4.493 4.460 -0.000 0.000 0.414 79 C C 1.931 176.906 174.990 -0.024 0.000 1.396 79 C CA -0.411 58.589 59.018 -0.030 0.000 1.698 79 C CB -0.535 27.171 27.740 -0.057 0.000 2.572 79 C HN 0.564 nan 8.230 nan 0.000 0.604 80 L N 4.299 125.509 121.223 -0.022 0.000 2.395 80 L HA 0.023 4.363 4.340 -0.000 0.000 0.218 80 L C 1.595 178.450 176.870 -0.024 0.000 1.130 80 L CA 0.613 55.446 54.840 -0.012 0.000 0.826 80 L CB -0.481 41.574 42.059 -0.006 0.000 0.941 80 L HN 0.812 nan 8.230 nan 0.000 0.451 81 K N -0.341 120.029 120.400 -0.050 0.000 3.244 81 K HA -0.169 4.151 4.320 -0.000 0.000 0.270 81 K C -0.012 176.556 176.600 -0.054 0.000 1.016 81 K CA 0.033 56.280 56.287 -0.067 0.000 0.754 81 K CB -2.635 29.833 32.500 -0.054 0.000 1.326 81 K HN 0.319 nan 8.250 nan 0.000 0.465 82 C N 0.619 119.889 119.300 -0.051 0.000 2.741 82 C HA 0.316 4.776 4.460 -0.000 0.000 0.403 82 C C 1.679 176.643 174.990 -0.043 0.000 1.282 82 C CA -0.270 58.724 59.018 -0.040 0.000 2.053 82 C CB -0.061 27.658 27.740 -0.035 0.000 2.731 82 C HN 0.644 nan 8.230 nan 0.000 0.680 83 A N 0.955 123.756 122.820 -0.033 0.000 2.340 83 A HA 0.480 4.800 4.320 -0.000 0.000 0.268 83 A C 0.599 178.167 177.584 -0.027 0.000 1.100 83 A CA 0.009 52.028 52.037 -0.030 0.000 0.803 83 A CB -0.072 18.913 19.000 -0.026 0.000 1.043 83 A HN 1.082 nan 8.150 nan 0.000 0.488 84 D N -0.144 120.241 120.400 -0.024 0.000 2.706 84 D HA -0.124 4.516 4.640 -0.000 0.000 0.230 84 D C 0.516 176.797 176.300 -0.032 0.000 1.184 84 D CA 1.037 55.026 54.000 -0.018 0.000 0.628 84 D CB -1.085 39.712 40.800 -0.005 0.000 1.019 84 D HN 1.093 nan 8.370 nan 0.000 0.415 85 A N 0.982 123.771 122.820 -0.052 0.000 2.584 85 A HA 0.188 4.508 4.320 -0.000 0.000 0.239 85 A C -0.479 177.067 177.584 -0.064 0.000 1.043 85 A CA -0.068 51.932 52.037 -0.062 0.000 0.756 85 A CB 0.406 19.355 19.000 -0.086 0.000 0.963 85 A HN 0.333 nan 8.150 nan 0.000 0.511 86 P HA -0.118 nan 4.420 nan 0.000 0.222 86 P C 1.585 178.856 177.300 -0.049 0.000 1.153 86 P CA 1.593 64.669 63.100 -0.039 0.000 0.798 86 P CB -0.397 31.287 31.700 -0.026 0.000 0.796 87 C N -0.688 118.578 119.300 -0.056 0.000 2.435 87 C HA -0.073 4.387 4.460 -0.000 0.000 0.279 87 C C 2.966 177.914 174.990 -0.070 0.000 1.321 87 C CA 0.824 59.810 59.018 -0.053 0.000 1.752 87 C CB -2.231 25.477 27.740 -0.053 0.000 1.959 87 C HN 0.218 nan 8.230 nan 0.000 0.500 88 Q N 1.325 121.056 119.800 -0.116 0.000 2.123 88 Q HA -0.105 4.235 4.340 -0.000 0.000 0.199 88 Q C 2.245 178.107 176.000 -0.229 0.000 0.966 88 Q CA 1.272 56.954 55.803 -0.201 0.000 0.845 88 Q CB -0.140 28.421 28.738 -0.295 0.000 0.907 88 Q HN 0.711 nan 8.270 nan 0.000 0.439 89 K N -0.222 120.097 120.400 -0.135 0.000 2.211 89 K HA 0.000 4.320 4.320 -0.000 0.000 0.203 89 K C 1.818 178.420 176.600 0.004 0.000 1.050 89 K CA 1.186 57.456 56.287 -0.027 0.000 0.945 89 K CB 0.194 32.695 32.500 0.002 0.000 0.732 89 K HN 0.064 nan 8.250 nan 0.000 0.451 90 S N 0.446 116.132 115.700 -0.023 0.000 2.558 90 S HA -0.014 4.456 4.470 -0.000 0.000 0.217 90 S C 0.656 175.252 174.600 -0.006 0.000 0.975 90 S CA -0.170 58.022 58.200 -0.013 0.000 0.912 90 S CB -0.097 63.089 63.200 -0.025 0.000 0.776 90 S HN 0.367 nan 8.310 nan 0.000 0.526 91 C N 3.510 122.803 119.300 -0.011 0.000 2.347 91 C HA 0.444 4.904 4.460 -0.000 0.000 0.353 91 C C -1.621 173.388 174.990 0.031 0.000 1.273 91 C CA -2.063 56.955 59.018 0.001 0.000 1.861 91 C CB 0.543 28.276 27.740 -0.012 0.000 2.420 91 C HN 0.232 nan 8.230 nan 0.000 0.542 92 P HA -0.054 nan 4.420 nan 0.000 0.222 92 P C 1.237 178.560 177.300 0.038 0.000 1.147 92 P CA 1.662 64.781 63.100 0.032 0.000 0.790 92 P CB 0.093 31.802 31.700 0.015 0.000 0.780 93 T N -6.810 107.764 114.554 0.034 0.000 3.105 93 T HA 0.157 4.507 4.350 -0.000 0.000 0.253 93 T C 0.428 175.192 174.700 0.107 0.000 1.047 93 T CA -0.268 61.853 62.100 0.035 0.000 0.944 93 T CB -0.972 67.895 68.868 -0.002 0.000 1.016 93 T HN 0.040 nan 8.240 nan 0.000 0.544 94 H N 0.469 119.527 119.070 -0.020 0.000 2.820 94 H HA -0.121 4.435 4.556 -0.000 0.000 0.295 94 H C -0.366 174.965 175.328 0.004 0.000 1.187 94 H CA 0.020 56.061 56.048 -0.012 0.000 1.144 94 H CB -2.258 27.488 29.762 -0.026 0.000 1.354 94 H HN 0.526 nan 8.280 nan 0.000 0.395 95 L N 0.791 122.020 121.223 0.009 0.000 2.559 95 L HA -0.041 4.299 4.340 -0.000 0.000 0.274 95 L C 1.080 177.971 176.870 0.034 0.000 1.205 95 L CA 0.515 55.379 54.840 0.041 0.000 0.907 95 L CB 0.176 42.283 42.059 0.080 0.000 1.153 95 L HN 0.364 nan 8.230 nan 0.000 0.490 96 D N 4.496 124.932 120.400 0.061 0.000 2.541 96 D HA 0.034 4.674 4.640 -0.000 0.000 0.231 96 D C 1.216 177.547 176.300 0.051 0.000 1.163 96 D CA 0.168 54.179 54.000 0.019 0.000 1.077 96 D CB 0.295 41.111 40.800 0.026 0.000 1.110 96 D HN 0.371 nan 8.370 nan 0.000 0.499 97 I N 2.047 122.586 120.570 -0.051 0.000 2.163 97 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 97 I C 2.520 178.290 176.117 -0.578 0.000 1.085 97 I CA 0.916 61.963 61.300 -0.423 0.000 1.347 97 I CB -0.255 37.572 38.000 -0.287 0.000 1.044 97 I HN 0.320 nan 8.210 nan 0.000 0.408 98 K N 1.183 121.408 120.400 -0.292 0.000 2.034 98 K HA -0.256 4.064 4.320 -0.000 0.000 0.214 98 K C 2.256 178.733 176.600 -0.205 0.000 1.051 98 K CA 2.429 58.583 56.287 -0.222 0.000 0.931 98 K CB -0.152 32.270 32.500 -0.130 0.000 0.715 98 K HN 0.186 nan 8.250 nan 0.000 0.446 99 S N 0.561 116.180 115.700 -0.136 0.000 2.348 99 S HA -0.138 4.332 4.470 -0.000 0.000 0.221 99 S C 1.665 176.253 174.600 -0.019 0.000 1.033 99 S CA 1.536 59.697 58.200 -0.066 0.000 1.010 99 S CB -0.508 62.678 63.200 -0.022 0.000 0.891 99 S HN 0.573 nan 8.310 nan 0.000 0.442 100 F N 1.452 121.380 119.950 -0.037 0.000 2.293 100 F HA 0.170 4.697 4.527 0.000 0.000 0.300 100 F C 1.631 177.443 175.800 0.020 0.000 1.086 100 F CA 0.561 58.549 58.000 -0.021 0.000 1.375 100 F CB -0.691 38.290 39.000 -0.033 0.000 1.045 100 F HN 0.117 nan 8.300 nan 0.000 0.516 101 I N 0.390 120.693 120.570 -0.445 0.000 2.500 101 I HA -0.166 4.004 4.170 -0.000 0.000 0.252 101 I C 2.109 178.197 176.117 -0.049 0.000 1.142 101 I CA 1.222 62.372 61.300 -0.251 0.000 1.451 101 I CB -0.737 37.021 38.000 -0.404 0.000 1.093 101 I HN 0.183 nan 8.210 nan 0.000 0.430 102 T N 0.049 114.563 114.554 -0.066 0.000 2.821 102 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 102 T C 2.111 176.833 174.700 0.037 0.000 1.046 102 T CA 1.558 63.649 62.100 -0.015 0.000 1.139 102 T CB -0.078 68.768 68.868 -0.037 0.000 0.871 102 T HN 0.256 nan 8.240 nan 0.000 0.454 103 S N 1.101 116.836 115.700 0.059 0.000 2.383 103 S HA 0.053 4.523 4.470 -0.000 0.000 0.227 103 S C 2.020 176.697 174.600 0.127 0.000 1.026 103 S CA 0.712 58.960 58.200 0.079 0.000 0.981 103 S CB -0.349 62.899 63.200 0.081 0.000 0.818 103 S HN 0.423 nan 8.310 nan 0.000 0.472 104 I N 2.010 122.709 120.570 0.217 0.000 2.202 104 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 104 I C 2.645 178.905 176.117 0.237 0.000 1.091 104 I CA 1.397 62.902 61.300 0.343 0.000 1.368 104 I CB -0.543 37.700 38.000 0.405 0.000 1.058 104 I HN 0.374 nan 8.210 nan 0.000 0.410 105 S N 0.711 116.497 115.700 0.144 0.000 2.442 105 S HA -0.118 4.352 4.470 -0.000 0.000 0.236 105 S C 1.372 176.021 174.600 0.081 0.000 1.007 105 S CA 1.069 59.329 58.200 0.100 0.000 0.965 105 S CB -0.406 62.832 63.200 0.063 0.000 0.773 105 S HN 0.409 nan 8.310 nan 0.000 0.504 106 N N 1.409 120.151 118.700 0.070 0.000 2.251 106 N HA 0.250 4.990 4.740 -0.000 0.000 0.217 106 N C -0.301 175.192 175.510 -0.027 0.000 1.124 106 N CA 0.030 53.108 53.050 0.046 0.000 0.843 106 N CB 0.035 38.571 38.487 0.082 0.000 1.024 106 N HN 0.494 nan 8.380 nan 0.000 0.501 107 K N -0.516 119.828 120.400 -0.094 0.000 3.274 107 K HA -0.209 4.111 4.320 -0.000 0.000 0.300 107 K C -0.173 176.072 176.600 -0.592 0.000 1.230 107 K CA 0.543 56.584 56.287 -0.410 0.000 0.884 107 K CB -1.476 30.910 32.500 -0.189 0.000 1.242 107 K HN 0.139 nan 8.250 nan 0.000 0.467 108 N N 0.689 119.215 118.700 -0.291 0.000 3.301 108 N HA 0.149 4.889 4.740 -0.000 0.000 0.289 108 N C 0.487 175.989 175.510 -0.013 0.000 1.343 108 N CA -0.335 52.642 53.050 -0.122 0.000 1.136 108 N CB -0.078 38.415 38.487 0.010 0.000 1.402 108 N HN 0.212 nan 8.380 nan 0.000 0.516 109 Y N -0.227 120.181 120.300 0.179 0.000 2.193 109 Y HA -0.317 4.233 4.550 -0.000 0.000 0.285 109 Y C 1.711 177.681 175.900 0.117 0.000 1.166 109 Y CA 1.107 59.288 58.100 0.136 0.000 1.181 109 Y CB -0.318 38.200 38.460 0.096 0.000 0.976 109 Y HN 0.440 nan 8.280 nan 0.000 0.520 110 Y N 0.823 121.238 120.300 0.191 0.000 2.114 110 Y HA -0.152 4.398 4.550 -0.000 0.000 0.284 110 Y C 2.432 178.326 175.900 -0.009 0.000 1.143 110 Y CA 1.261 59.419 58.100 0.097 0.000 1.135 110 Y CB -0.958 37.572 38.460 0.116 0.000 0.980 110 Y HN 0.023 nan 8.280 nan 0.000 0.499 111 G N 0.167 108.850 108.800 -0.194 0.000 2.476 111 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 111 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 111 G C 1.850 176.626 174.900 -0.206 0.000 1.164 111 G CA 1.473 46.407 45.100 -0.276 0.000 0.768 111 G HN 0.679 nan 8.290 nan 0.000 0.560 112 A N 1.290 124.085 122.820 -0.041 0.000 1.865 112 A HA 0.193 4.513 4.320 -0.000 0.000 0.217 112 A C 2.876 180.388 177.584 -0.120 0.000 1.191 112 A CA 2.630 54.700 52.037 0.056 0.000 0.623 112 A CB -1.027 18.104 19.000 0.219 0.000 0.826 112 A HN 0.950 nan 8.150 nan 0.000 0.444 113 A N -0.385 122.322 122.820 -0.189 0.000 1.940 113 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 113 A C 2.139 179.423 177.584 -0.500 0.000 1.176 113 A CA 2.184 54.026 52.037 -0.325 0.000 0.631 113 A CB -0.469 18.281 19.000 -0.418 0.000 0.814 113 A HN 0.610 nan 8.150 nan 0.000 0.446 114 K N -1.403 118.639 120.400 -0.597 0.000 2.025 114 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 114 K C 2.056 178.484 176.600 -0.287 0.000 1.049 114 K CA 1.762 57.752 56.287 -0.496 0.000 0.933 114 K CB -0.259 31.863 32.500 -0.630 0.000 0.714 114 K HN 0.321 nan 8.250 nan 0.000 0.438 115 M N 1.435 120.900 119.600 -0.224 0.000 2.080 115 M HA -0.134 4.346 4.480 -0.000 0.000 0.260 115 M C 1.697 177.918 176.300 -0.131 0.000 1.068 115 M CA 1.602 56.834 55.300 -0.113 0.000 1.109 115 M CB -0.214 32.387 32.600 0.001 0.000 1.342 115 M HN 0.246 nan 8.290 nan 0.000 0.405 116 I N -1.260 119.170 120.570 -0.232 0.000 2.142 116 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 116 I C 1.849 177.743 176.117 -0.371 0.000 1.078 116 I CA 1.336 62.426 61.300 -0.349 0.000 1.343 116 I CB -0.630 37.055 38.000 -0.526 0.000 1.046 116 I HN 0.144 nan 8.210 nan 0.000 0.405 117 F N 0.804 120.427 119.950 -0.545 0.000 2.451 117 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 117 F C 2.668 178.207 175.800 -0.435 0.000 1.101 117 F CA 0.864 58.452 58.000 -0.687 0.000 1.436 117 F CB -0.551 37.553 39.000 -1.494 0.000 1.074 117 F HN -0.050 nan 8.300 nan 0.000 0.553 118 S N -0.767 114.858 115.700 -0.124 0.000 2.402 118 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 118 S C 1.471 176.121 174.600 0.083 0.000 1.021 118 S CA 1.295 59.510 58.200 0.025 0.000 0.974 118 S CB -0.103 63.094 63.200 -0.005 0.000 0.800 118 S HN 0.356 nan 8.310 nan 0.000 0.484 119 D N 0.134 120.548 120.400 0.025 0.000 2.441 119 D HA 0.150 4.790 4.640 -0.000 0.000 0.210 119 D C 0.035 176.379 176.300 0.072 0.000 1.102 119 D CA 0.208 54.268 54.000 0.101 0.000 0.840 119 D CB 0.277 41.107 40.800 0.050 0.000 0.990 119 D HN 0.144 nan 8.370 nan 0.000 0.505 120 N N 0.640 119.276 118.700 -0.107 0.000 2.621 120 N HA 0.153 4.893 4.740 -0.000 0.000 0.271 120 N C -2.400 172.830 175.510 -0.466 0.000 1.181 120 N CA -1.404 51.519 53.050 -0.212 0.000 0.805 120 N CB 2.157 40.471 38.487 -0.288 0.000 1.351 120 N HN -0.301 nan 8.380 nan 0.000 0.539 121 P HA -0.024 nan 4.420 nan 0.000 0.221 121 P C 0.535 177.589 177.300 -0.410 0.000 1.145 121 P CA 0.824 63.746 63.100 -0.297 0.000 0.795 121 P CB 0.402 31.999 31.700 -0.172 0.000 0.775 122 L N -1.367 119.610 121.223 -0.411 0.000 3.034 122 L HA 0.331 4.671 4.340 -0.000 0.000 0.245 122 L C 1.929 178.509 176.870 -0.483 0.000 1.295 122 L CA 0.086 54.717 54.840 -0.348 0.000 1.068 122 L CB -0.999 40.952 42.059 -0.182 0.000 1.426 122 L HN -0.081 nan 8.230 nan 0.000 0.531 123 G N 0.087 108.286 108.800 -1.001 0.000 2.553 123 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 123 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 123 G C 1.489 176.164 174.900 -0.376 0.000 1.195 123 G CA 0.977 45.544 45.100 -0.888 0.000 0.779 123 G HN 0.358 nan 8.290 nan 0.000 0.577 124 L N 0.920 122.071 121.223 -0.120 0.000 2.042 124 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 124 L C 2.934 179.807 176.870 0.005 0.000 1.076 124 L CA 2.674 57.569 54.840 0.090 0.000 0.749 124 L CB -1.188 41.082 42.059 0.352 0.000 0.893 124 L HN 0.244 nan 8.230 nan 0.000 0.432 125 T N -1.292 113.237 114.554 -0.043 0.000 2.674 125 T HA -0.208 4.142 4.350 -0.000 0.000 0.265 125 T C 2.008 176.674 174.700 -0.057 0.000 1.039 125 T CA 1.727 63.800 62.100 -0.045 0.000 1.150 125 T CB -0.692 68.138 68.868 -0.063 0.000 0.864 125 T HN 0.476 nan 8.240 nan 0.000 0.427 126 C N 1.424 120.667 119.300 -0.096 0.000 2.401 126 C HA -0.060 4.400 4.460 -0.000 0.000 0.276 126 C C 3.045 178.000 174.990 -0.058 0.000 1.233 126 C CA 0.659 59.627 59.018 -0.083 0.000 1.753 126 C CB -1.600 26.068 27.740 -0.119 0.000 2.029 126 C HN 0.757 nan 8.230 nan 0.000 0.478 127 G N -0.700 108.060 108.800 -0.068 0.000 2.479 127 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 127 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 127 G C 1.527 176.429 174.900 0.003 0.000 1.115 127 G CA 0.678 45.759 45.100 -0.031 0.000 0.757 127 G HN 0.566 nan 8.290 nan 0.000 0.560 128 M N -0.266 119.334 119.600 0.001 0.000 2.534 128 M HA 0.128 4.608 4.480 -0.000 0.000 0.263 128 M C 2.223 178.529 176.300 0.010 0.000 1.152 128 M CA 0.515 55.825 55.300 0.016 0.000 1.145 128 M CB 0.805 33.416 32.600 0.020 0.000 1.333 128 M HN 0.193 nan 8.290 nan 0.000 0.477 129 V N -4.500 115.411 119.914 -0.004 0.000 3.570 129 V HA 0.208 4.328 4.120 -0.000 0.000 0.257 129 V C 0.914 177.003 176.094 -0.009 0.000 1.272 129 V CA -0.572 61.724 62.300 -0.006 0.000 1.079 129 V CB -0.612 31.204 31.823 -0.013 0.000 0.829 129 V HN 0.254 nan 8.190 nan 0.000 0.454 130 C N 4.717 124.009 119.300 -0.013 0.000 2.465 130 C HA 0.189 4.649 4.460 -0.000 0.000 0.402 130 C C -1.062 173.923 174.990 -0.008 0.000 1.448 130 C CA 0.236 59.247 59.018 -0.012 0.000 1.589 130 C CB 0.014 27.746 27.740 -0.013 0.000 2.535 130 C HN 0.540 nan 8.230 nan 0.000 0.600 131 P HA 0.065 nan 4.420 nan 0.000 0.218 131 P C 1.127 178.418 177.300 -0.015 0.000 1.793 131 P CA 0.371 63.461 63.100 -0.017 0.000 0.941 131 P CB -0.271 31.416 31.700 -0.021 0.000 1.919 132 T N -1.292 113.259 114.554 -0.006 0.000 2.736 132 T HA -0.325 4.025 4.350 -0.000 0.000 0.265 132 T C 1.887 176.582 174.700 -0.009 0.000 1.031 132 T CA 2.338 64.438 62.100 -0.000 0.000 1.155 132 T CB -1.459 67.418 68.868 0.015 0.000 0.849 132 T HN 0.334 nan 8.240 nan 0.000 0.471 133 S N 1.457 117.149 115.700 -0.013 0.000 2.400 133 S HA -0.197 4.273 4.470 -0.000 0.000 0.232 133 S C 1.755 176.333 174.600 -0.036 0.000 1.025 133 S CA 1.751 59.939 58.200 -0.020 0.000 0.993 133 S CB -0.718 62.468 63.200 -0.023 0.000 0.808 133 S HN 0.685 nan 8.310 nan 0.000 0.478 134 D N -0.621 119.759 120.400 -0.032 0.000 2.369 134 D HA 0.352 4.992 4.640 -0.000 0.000 0.211 134 D C 0.927 177.210 176.300 -0.030 0.000 1.077 134 D CA 0.121 54.100 54.000 -0.035 0.000 0.842 134 D CB 0.227 41.008 40.800 -0.032 0.000 0.947 134 D HN 0.462 nan 8.370 nan 0.000 0.509 135 L N -0.956 120.253 121.223 -0.024 0.000 2.726 135 L HA 0.211 4.551 4.340 -0.000 0.000 0.220 135 L C 2.449 179.307 176.870 -0.019 0.000 1.692 135 L CA -0.186 54.644 54.840 -0.017 0.000 2.831 135 L CB -0.777 41.277 42.059 -0.010 0.000 2.626 135 L HN 0.090 nan 8.230 nan 0.000 0.786 136 C N -0.183 119.111 119.300 -0.009 0.000 2.367 136 C HA -0.150 4.310 4.460 -0.000 0.000 0.276 136 C C 2.420 177.403 174.990 -0.012 0.000 1.195 136 C CA 0.637 59.650 59.018 -0.009 0.000 1.756 136 C CB -1.338 26.408 27.740 0.010 0.000 2.046 136 C HN 0.485 nan 8.230 nan 0.000 0.453 137 V N 2.258 122.171 119.914 -0.002 0.000 2.688 137 V HA -0.052 4.068 4.120 -0.000 0.000 0.256 137 V C 2.964 179.047 176.094 -0.019 0.000 1.084 137 V CA 2.217 64.520 62.300 0.005 0.000 1.103 137 V CB -1.597 30.238 31.823 0.020 0.000 0.688 137 V HN 0.830 nan 8.190 nan 0.000 0.480 138 G N -0.105 108.667 108.800 -0.046 0.000 2.448 138 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.219 138 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.219 138 G C 1.317 176.145 174.900 -0.121 0.000 1.127 138 G CA 0.837 45.878 45.100 -0.098 0.000 0.766 138 G HN 0.632 nan 8.290 nan 0.000 0.552 139 G N -1.120 107.638 108.800 -0.070 0.000 3.324 139 G HA2 0.195 4.155 3.960 -0.000 0.000 0.251 139 G HA3 0.195 4.155 3.960 -0.000 0.000 0.251 139 G C 0.389 175.272 174.900 -0.028 0.000 1.072 139 G CA 0.054 45.118 45.100 -0.060 0.000 0.787 139 G HN 0.401 nan 8.290 nan 0.000 0.537 140 C N 1.631 120.927 119.300 -0.006 0.000 2.601 140 C HA 0.116 4.576 4.460 -0.000 0.000 0.405 140 C C 1.917 176.944 174.990 0.061 0.000 1.441 140 C CA -0.453 58.580 59.018 0.024 0.000 1.555 140 C CB -0.732 27.034 27.740 0.043 0.000 2.450 140 C HN 0.474 nan 8.230 nan 0.000 0.614 141 N N 3.259 121.981 118.700 0.035 0.000 2.137 141 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 141 N C 1.510 177.059 175.510 0.065 0.000 1.017 141 N CA 1.416 54.493 53.050 0.046 0.000 0.859 141 N CB -0.209 38.289 38.487 0.018 0.000 1.002 141 N HN 0.797 nan 8.380 nan 0.000 0.428 142 L N 0.220 121.474 121.223 0.051 0.000 2.642 142 L HA -0.155 4.185 4.340 -0.000 0.000 0.236 142 L C 1.834 178.733 176.870 0.048 0.000 1.169 142 L CA 0.385 55.245 54.840 0.035 0.000 0.851 142 L CB -0.416 41.653 42.059 0.016 0.000 0.968 142 L HN 0.214 nan 8.230 nan 0.000 0.453 143 Y N 0.656 120.947 120.300 -0.015 0.000 2.421 143 Y HA -0.132 4.418 4.550 -0.000 0.000 0.292 143 Y C 2.113 178.005 175.900 -0.013 0.000 1.136 143 Y CA 0.935 59.028 58.100 -0.013 0.000 1.255 143 Y CB 0.059 38.512 38.460 -0.012 0.000 0.991 143 Y HN 0.123 nan 8.280 nan 0.000 0.552 144 A N 0.442 123.298 122.820 0.059 0.000 2.346 144 A HA 0.244 4.564 4.320 -0.000 0.000 0.242 144 A C 0.434 177.981 177.584 -0.062 0.000 1.323 144 A CA 0.576 52.615 52.037 0.003 0.000 0.940 144 A CB -1.295 17.737 19.000 0.054 0.000 0.943 144 A HN 0.375 nan 8.150 nan 0.000 0.501 145 T N -5.043 109.447 114.554 -0.108 0.000 2.906 145 T HA 0.517 4.867 4.350 -0.000 0.000 0.295 145 T C 0.336 174.956 174.700 -0.132 0.000 1.075 145 T CA -0.533 61.511 62.100 -0.093 0.000 1.005 145 T CB 1.424 70.257 68.868 -0.059 0.000 1.136 145 T HN 0.064 nan 8.240 nan 0.000 0.498 146 E N 0.751 120.889 120.200 -0.103 0.000 2.118 146 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 146 E C 2.136 178.676 176.600 -0.099 0.000 0.992 146 E CA 1.659 57.996 56.400 -0.104 0.000 0.804 146 E CB -0.067 29.589 29.700 -0.074 0.000 0.741 146 E HN 0.817 nan 8.360 nan 0.000 0.458 147 E N 0.268 120.422 120.200 -0.076 0.000 2.204 147 E HA -0.049 4.301 4.350 -0.000 0.000 0.195 147 E C 1.163 177.723 176.600 -0.066 0.000 0.990 147 E CA 0.980 57.345 56.400 -0.058 0.000 0.821 147 E CB -0.429 29.249 29.700 -0.037 0.000 0.750 147 E HN 0.150 nan 8.360 nan 0.000 0.477 148 G N 0.605 109.348 108.800 -0.095 0.000 2.712 148 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.683 148 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.683 148 G C -0.403 174.487 174.900 -0.016 0.000 1.320 148 G CA -0.246 44.796 45.100 -0.095 0.000 0.847 148 G HN 0.243 nan 8.290 nan 0.000 0.553 149 S N -0.078 115.653 115.700 0.052 0.000 2.573 149 S HA 0.399 4.869 4.470 -0.000 0.000 0.277 149 S C 1.127 175.754 174.600 0.045 0.000 1.346 149 S CA -0.448 57.803 58.200 0.084 0.000 1.034 149 S CB 0.592 63.885 63.200 0.155 0.000 0.879 149 S HN 0.611 nan 8.310 nan 0.000 0.528 150 I N 3.028 123.617 120.570 0.031 0.000 2.556 150 I HA 0.025 4.195 4.170 -0.000 0.000 0.284 150 I C 0.995 177.129 176.117 0.029 0.000 1.114 150 I CA -0.194 61.117 61.300 0.017 0.000 1.418 150 I CB -0.051 37.946 38.000 -0.005 0.000 1.394 150 I HN 0.582 nan 8.210 nan 0.000 0.552 151 N N 7.123 125.843 118.700 0.032 0.000 3.127 151 N HA 0.040 4.780 4.740 -0.000 0.000 0.317 151 N C 1.212 176.762 175.510 0.068 0.000 1.242 151 N CA 0.090 53.167 53.050 0.046 0.000 1.203 151 N CB -0.193 38.317 38.487 0.039 0.000 1.462 151 N HN 0.495 nan 8.380 nan 0.000 0.546 152 I N -0.328 120.285 120.570 0.071 0.000 2.151 152 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 152 I C 2.399 178.617 176.117 0.168 0.000 1.080 152 I CA 1.429 62.804 61.300 0.126 0.000 1.339 152 I CB -0.673 37.389 38.000 0.103 0.000 1.039 152 I HN 0.386 nan 8.210 nan 0.000 0.409 153 G N 0.864 109.726 108.800 0.104 0.000 2.491 153 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 153 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 153 G C 1.730 176.683 174.900 0.088 0.000 1.180 153 G CA 1.078 46.226 45.100 0.080 0.000 0.774 153 G HN 0.519 nan 8.290 nan 0.000 0.562 154 G N 0.676 109.528 108.800 0.087 0.000 2.440 154 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 154 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 154 G C 1.833 176.815 174.900 0.136 0.000 1.154 154 G CA 0.773 45.927 45.100 0.089 0.000 0.767 154 G HN 0.420 nan 8.290 nan 0.000 0.552 155 L N 0.038 121.363 121.223 0.169 0.000 2.079 155 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 155 L C 2.996 180.048 176.870 0.302 0.000 1.081 155 L CA 1.811 56.809 54.840 0.264 0.000 0.752 155 L CB -0.400 41.840 42.059 0.303 0.000 0.896 155 L HN 0.401 nan 8.230 nan 0.000 0.433 156 Q N -0.133 119.785 119.800 0.196 0.000 2.083 156 Q HA -0.263 4.077 4.340 -0.000 0.000 0.198 156 Q C 2.228 178.213 176.000 -0.025 0.000 0.969 156 Q CA 1.523 57.273 55.803 -0.088 0.000 0.838 156 Q CB -0.043 28.581 28.738 -0.189 0.000 0.900 156 Q HN 0.452 nan 8.270 nan 0.000 0.436 157 Q N -0.430 119.398 119.800 0.047 0.000 2.045 157 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 157 Q C 1.905 177.948 176.000 0.071 0.000 0.991 157 Q CA 1.951 57.789 55.803 0.059 0.000 0.851 157 Q CB -0.334 28.449 28.738 0.075 0.000 0.911 157 Q HN 0.485 nan 8.270 nan 0.000 0.418 158 F N 0.717 120.650 119.950 -0.028 0.000 2.043 158 F HA -0.243 4.284 4.527 -0.000 0.000 0.297 158 F C 2.103 177.851 175.800 -0.088 0.000 1.121 158 F CA 1.901 59.854 58.000 -0.079 0.000 1.199 158 F CB -0.890 38.046 39.000 -0.107 0.000 0.968 158 F HN 0.171 nan 8.300 nan 0.000 0.478 159 A N -0.389 122.306 122.820 -0.209 0.000 1.917 159 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 159 A C 2.346 179.842 177.584 -0.147 0.000 1.182 159 A CA 2.313 54.211 52.037 -0.232 0.000 0.633 159 A CB -1.355 17.666 19.000 0.035 0.000 0.819 159 A HN 0.504 nan 8.150 nan 0.000 0.448 160 S N -0.336 115.343 115.700 -0.036 0.000 2.368 160 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 160 S C 1.883 176.529 174.600 0.077 0.000 1.030 160 S CA 1.230 59.527 58.200 0.162 0.000 0.999 160 S CB -0.323 63.033 63.200 0.260 0.000 0.844 160 S HN 0.615 nan 8.310 nan 0.000 0.459 161 E N 0.841 120.991 120.200 -0.084 0.000 2.085 161 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 161 E C 2.264 178.722 176.600 -0.237 0.000 0.994 161 E CA 1.064 57.367 56.400 -0.161 0.000 0.801 161 E CB -0.373 29.240 29.700 -0.146 0.000 0.743 161 E HN 0.342 nan 8.360 nan 0.000 0.453 162 V N 1.238 120.923 119.914 -0.383 0.000 2.358 162 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 162 V C 2.141 178.259 176.094 0.040 0.000 1.047 162 V CA 1.662 63.795 62.300 -0.280 0.000 1.035 162 V CB -0.621 30.893 31.823 -0.514 0.000 0.658 162 V HN 0.173 nan 8.190 nan 0.000 0.452 163 F N 1.628 121.524 119.950 -0.089 0.000 2.134 163 F HA -0.186 4.341 4.527 0.000 0.000 0.299 163 F C 2.438 178.153 175.800 -0.142 0.000 1.097 163 F CA 2.247 60.239 58.000 -0.013 0.000 1.264 163 F CB -0.398 38.587 39.000 -0.025 0.000 1.001 163 F HN 0.048 nan 8.300 nan 0.000 0.479 164 K N 0.371 120.461 120.400 -0.516 0.000 2.103 164 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 164 K C 2.195 178.409 176.600 -0.645 0.000 1.048 164 K CA 1.263 56.919 56.287 -1.052 0.000 0.930 164 K CB -0.450 31.256 32.500 -1.323 0.000 0.716 164 K HN 0.321 nan 8.250 nan 0.000 0.444 165 A N 1.184 123.829 122.820 -0.292 0.000 1.933 165 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 165 A C 2.046 179.612 177.584 -0.031 0.000 1.175 165 A CA 1.617 53.631 52.037 -0.039 0.000 0.628 165 A CB -0.467 18.677 19.000 0.241 0.000 0.814 165 A HN 0.385 nan 8.150 nan 0.000 0.444 166 M N -0.625 118.942 119.600 -0.054 0.000 2.446 166 M HA -0.062 4.418 4.480 -0.000 0.000 0.263 166 M C -0.127 175.943 176.300 -0.383 0.000 1.066 166 M CA 0.553 55.751 55.300 -0.170 0.000 1.087 166 M CB -0.537 32.039 32.600 -0.039 0.000 1.406 166 M HN 0.419 nan 8.290 nan 0.000 0.459 167 N N 2.098 120.418 118.700 -0.633 0.000 2.641 167 N HA -0.162 4.578 4.740 -0.000 0.000 0.267 167 N C -1.168 174.045 175.510 -0.496 0.000 1.087 167 N CA 0.705 53.278 53.050 -0.795 0.000 0.731 167 N CB -0.926 36.584 38.487 -1.628 0.000 0.886 167 N HN 0.384 nan 8.380 nan 0.000 0.547 168 I N 1.456 121.778 120.570 -0.413 0.000 2.474 168 I HA 0.428 4.598 4.170 -0.000 0.000 0.294 168 I C -1.796 174.256 176.117 -0.108 0.000 1.005 168 I CA -1.766 59.424 61.300 -0.183 0.000 1.113 168 I CB 2.150 40.091 38.000 -0.098 0.000 1.289 168 I HN -0.007 nan 8.210 nan 0.000 0.436 169 P HA 0.210 nan 4.420 nan 0.000 0.280 169 P C -1.441 175.869 177.300 0.017 0.000 1.272 169 P CA -0.657 62.445 63.100 0.004 0.000 0.819 169 P CB 1.192 32.887 31.700 -0.008 0.000 1.122 170 Q N 0.484 120.279 119.800 -0.010 0.000 2.227 170 Q HA 0.599 4.939 4.340 -0.000 0.000 0.245 170 Q C -0.417 175.513 176.000 -0.117 0.000 0.926 170 Q CA -0.730 54.987 55.803 -0.143 0.000 0.895 170 Q CB 0.693 29.355 28.738 -0.127 0.000 1.230 170 Q HN 0.500 nan 8.270 nan 0.000 0.450 171 I N -0.893 119.586 120.570 -0.153 0.000 2.894 171 I HA 0.535 4.705 4.170 -0.000 0.000 0.302 171 I C -0.724 175.327 176.117 -0.110 0.000 1.188 171 I CA -1.442 59.799 61.300 -0.099 0.000 1.014 171 I CB 1.972 39.928 38.000 -0.074 0.000 1.242 171 I HN 0.666 nan 8.210 nan 0.000 0.430 172 R N 2.162 122.595 120.500 -0.110 0.000 2.694 172 R HA 0.177 4.517 4.340 -0.000 0.000 0.268 172 R C -0.024 176.128 176.300 -0.248 0.000 1.061 172 R CA -0.575 55.444 56.100 -0.134 0.000 1.133 172 R CB 0.095 30.324 30.300 -0.120 0.000 1.020 172 R HN 0.773 nan 8.270 nan 0.000 0.475 173 N N 3.479 121.977 118.700 -0.337 0.000 2.256 173 N HA -0.066 4.674 4.740 -0.000 0.000 0.277 173 N C -1.394 173.811 175.510 -0.509 0.000 1.362 173 N CA -1.041 51.578 53.050 -0.719 0.000 0.861 173 N CB 0.618 38.825 38.487 -0.467 0.000 1.136 173 N HN 0.497 nan 8.380 nan 0.000 0.492 174 P HA -0.098 nan 4.420 nan 0.000 0.224 174 P C 0.460 177.638 177.300 -0.204 0.000 1.142 174 P CA 0.821 63.756 63.100 -0.276 0.000 0.778 174 P CB 0.076 31.654 31.700 -0.204 0.000 0.764 175 C N -0.691 118.469 119.300 -0.233 0.000 2.780 175 C HA 0.321 4.781 4.460 -0.000 0.000 0.287 175 C C 1.233 176.148 174.990 -0.125 0.000 1.288 175 C CA -0.490 58.445 59.018 -0.138 0.000 1.713 175 C CB -1.577 26.104 27.740 -0.097 0.000 1.955 175 C HN 0.159 nan 8.230 nan 0.000 0.613 176 L N 1.730 122.858 121.223 -0.159 0.000 2.399 176 L HA 0.346 4.686 4.340 -0.000 0.000 0.266 176 L C -1.938 174.850 176.870 -0.136 0.000 1.114 176 L CA -1.316 53.432 54.840 -0.153 0.000 0.804 176 L CB 0.678 42.624 42.059 -0.187 0.000 1.146 176 L HN -0.039 nan 8.230 nan 0.000 0.451 177 P HA 0.048 nan 4.420 nan 0.000 0.270 177 P C -0.843 176.386 177.300 -0.119 0.000 1.223 177 P CA -0.425 62.608 63.100 -0.113 0.000 0.785 177 P CB 0.513 32.145 31.700 -0.113 0.000 0.923 178 S N 0.953 116.599 115.700 -0.090 0.000 2.568 178 S HA -0.034 4.436 4.470 -0.000 0.000 0.282 178 S C 1.251 175.797 174.600 -0.091 0.000 1.338 178 S CA -0.347 57.804 58.200 -0.081 0.000 1.045 178 S CB 0.281 63.446 63.200 -0.058 0.000 0.873 178 S HN 0.445 nan 8.310 nan 0.000 0.516 179 Q N 1.544 121.293 119.800 -0.085 0.000 2.103 179 Q HA -0.281 4.059 4.340 -0.000 0.000 0.213 179 Q C 1.870 177.828 176.000 -0.071 0.000 1.008 179 Q CA 2.543 58.296 55.803 -0.084 0.000 0.879 179 Q CB -0.454 28.248 28.738 -0.059 0.000 0.946 179 Q HN 0.891 nan 8.270 nan 0.000 0.413 180 E N 0.530 120.700 120.200 -0.050 0.000 2.204 180 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 180 E C 1.169 177.746 176.600 -0.038 0.000 0.989 180 E CA 0.936 57.314 56.400 -0.036 0.000 0.824 180 E CB 0.005 29.690 29.700 -0.025 0.000 0.756 180 E HN 0.275 nan 8.360 nan 0.000 0.477 181 K N -0.130 120.238 120.400 -0.052 0.000 2.417 181 K HA 0.150 4.470 4.320 -0.000 0.000 0.196 181 K C 0.029 176.589 176.600 -0.067 0.000 1.023 181 K CA -0.022 56.236 56.287 -0.049 0.000 1.122 181 K CB 0.268 32.740 32.500 -0.047 0.000 0.850 181 K HN 0.098 nan 8.250 nan 0.000 0.521 182 M N 1.890 121.433 119.600 -0.094 0.000 2.211 182 M HA 0.221 4.701 4.480 -0.000 0.000 0.356 182 M C -2.160 174.121 176.300 -0.032 0.000 1.216 182 M CA -2.396 52.818 55.300 -0.142 0.000 1.134 182 M CB 0.005 32.456 32.600 -0.248 0.000 1.564 182 M HN -0.173 nan 8.290 nan 0.000 0.463 183 P HA -0.055 nan 4.420 nan 0.000 0.270 183 P C 0.720 178.057 177.300 0.063 0.000 1.216 183 P CA 0.101 63.259 63.100 0.096 0.000 0.788 183 P CB 0.601 32.402 31.700 0.169 0.000 0.883 184 E N 1.288 121.497 120.200 0.016 0.000 2.031 184 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 184 E C 1.903 178.351 176.600 -0.253 0.000 0.994 184 E CA 1.356 57.748 56.400 -0.013 0.000 0.800 184 E CB -0.552 29.217 29.700 0.115 0.000 0.752 184 E HN 0.447 nan 8.360 nan 0.000 0.447 185 A N 0.504 122.960 122.820 -0.606 0.000 1.944 185 A HA -0.270 4.050 4.320 -0.000 0.000 0.222 185 A C 1.907 179.010 177.584 -0.803 0.000 1.237 185 A CA 2.186 53.394 52.037 -1.382 0.000 0.668 185 A CB -1.470 16.936 19.000 -0.989 0.000 0.830 185 A HN 0.569 nan 8.150 nan 0.000 0.471 186 Y N 0.802 120.813 120.300 -0.481 0.000 2.639 186 Y HA -0.047 4.503 4.550 -0.000 0.000 0.297 186 Y C 2.558 178.334 175.900 -0.207 0.000 1.151 186 Y CA 1.001 58.788 58.100 -0.520 0.000 1.335 186 Y CB -0.180 37.928 38.460 -0.586 0.000 0.994 186 Y HN 0.479 nan 8.280 nan 0.000 0.548 187 S N -0.909 114.778 115.700 -0.022 0.000 2.556 187 S HA 0.394 4.864 4.470 -0.000 0.000 0.216 187 S C 1.032 175.695 174.600 0.104 0.000 0.970 187 S CA -0.222 58.011 58.200 0.054 0.000 0.912 187 S CB -0.359 62.866 63.200 0.041 0.000 0.790 187 S HN 0.223 nan 8.310 nan 0.000 0.504 188 A N 2.055 124.936 122.820 0.101 0.000 2.561 188 A HA 0.232 4.552 4.320 -0.000 0.000 0.234 188 A C 0.253 177.987 177.584 0.249 0.000 1.055 188 A CA -0.011 52.145 52.037 0.199 0.000 0.756 188 A CB -0.048 19.085 19.000 0.222 0.000 0.986 188 A HN 0.536 nan 8.150 nan 0.000 0.505 189 K N 1.921 122.475 120.400 0.256 0.000 2.338 189 K HA 0.370 4.690 4.320 -0.000 0.000 0.290 189 K C -0.749 176.170 176.600 0.532 0.000 1.069 189 K CA 0.468 56.961 56.287 0.343 0.000 0.941 189 K CB 0.359 32.944 32.500 0.142 0.000 1.023 189 K HN 0.582 nan 8.250 nan 0.000 0.477 190 I N 2.159 122.974 120.570 0.408 0.000 2.525 190 I HA 0.462 4.632 4.170 -0.000 0.000 0.301 190 I C -0.215 176.003 176.117 0.169 0.000 0.992 190 I CA -0.797 60.678 61.300 0.292 0.000 1.162 190 I CB 1.929 40.018 38.000 0.149 0.000 1.332 190 I HN 0.561 nan 8.210 nan 0.000 0.458 191 A N 6.402 129.257 122.820 0.058 0.000 2.422 191 A HA 0.889 5.209 4.320 -0.000 0.000 0.302 191 A C -1.405 176.192 177.584 0.022 0.000 1.041 191 A CA -0.413 51.573 52.037 -0.086 0.000 0.708 191 A CB 1.307 20.127 19.000 -0.299 0.000 1.257 191 A HN 0.505 nan 8.150 nan 0.000 0.414 192 L N 2.335 123.555 121.223 -0.006 0.000 2.386 192 L HA 0.528 4.868 4.340 -0.000 0.000 0.271 192 L C -0.754 176.172 176.870 0.095 0.000 0.993 192 L CA -0.326 54.578 54.840 0.107 0.000 0.819 192 L CB 1.872 44.024 42.059 0.154 0.000 1.294 192 L HN 0.509 nan 8.230 nan 0.000 0.414 193 L N 2.856 124.142 121.223 0.105 0.000 2.275 193 L HA 0.751 5.091 4.340 -0.000 0.000 0.288 193 L C 0.590 177.504 176.870 0.074 0.000 1.046 193 L CA -0.183 54.718 54.840 0.102 0.000 0.805 193 L CB 0.545 42.633 42.059 0.048 0.000 1.193 193 L HN 0.783 nan 8.230 nan 0.000 0.426 194 G N 2.987 111.837 108.800 0.083 0.000 3.402 194 G HA2 0.041 4.001 3.960 -0.000 0.000 0.686 194 G HA3 0.041 4.001 3.960 -0.000 0.000 0.686 194 G C -0.006 174.942 174.900 0.080 0.000 0.983 194 G CA -0.316 44.826 45.100 0.071 0.000 0.821 194 G HN 1.016 nan 8.290 nan 0.000 0.500 195 A N 2.088 124.950 122.820 0.071 0.000 3.168 195 A HA 0.744 5.064 4.320 -0.000 0.000 0.260 195 A C 1.225 178.861 177.584 0.086 0.000 1.598 195 A CA 0.974 53.052 52.037 0.069 0.000 1.285 195 A CB -0.224 18.811 19.000 0.059 0.000 1.149 195 A HN 2.102 nan 8.150 nan 0.000 0.630 196 G N -0.103 108.753 108.800 0.093 0.000 2.537 196 G HA2 0.525 4.485 3.960 -0.000 0.000 0.323 196 G HA3 0.525 4.485 3.960 -0.000 0.000 0.323 196 G C -1.673 173.275 174.900 0.081 0.000 1.207 196 G CA -1.743 43.411 45.100 0.090 0.000 0.976 196 G HN 0.106 nan 8.290 nan 0.000 0.487 197 P HA -0.298 nan 4.420 nan 0.000 0.219 197 P C 2.147 179.487 177.300 0.066 0.000 1.158 197 P CA 2.751 65.876 63.100 0.041 0.000 0.895 197 P CB 0.240 31.956 31.700 0.027 0.000 0.792 198 A N -0.903 121.987 122.820 0.117 0.000 1.851 198 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 198 A C 2.356 180.044 177.584 0.173 0.000 1.195 198 A CA 2.734 54.885 52.037 0.191 0.000 0.622 198 A CB -1.586 17.601 19.000 0.312 0.000 0.831 198 A HN 0.199 nan 8.150 nan 0.000 0.444 199 S N 0.111 115.968 115.700 0.261 0.000 2.356 199 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 199 S C 1.830 176.445 174.600 0.025 0.000 1.032 199 S CA 1.551 59.862 58.200 0.185 0.000 1.005 199 S CB -0.639 62.690 63.200 0.216 0.000 0.867 199 S HN 0.512 nan 8.310 nan 0.000 0.449 200 I N 1.429 122.020 120.570 0.036 0.000 2.194 200 I HA -0.223 3.947 4.170 -0.000 0.000 0.246 200 I C 2.773 178.882 176.117 -0.014 0.000 1.093 200 I CA 1.339 62.640 61.300 0.001 0.000 1.355 200 I CB -0.516 37.483 38.000 -0.001 0.000 1.046 200 I HN 0.318 nan 8.210 nan 0.000 0.413 201 S N -0.031 115.673 115.700 0.007 0.000 2.343 201 S HA -0.258 4.212 4.470 -0.000 0.000 0.219 201 S C 2.346 177.011 174.600 0.109 0.000 1.033 201 S CA 1.695 59.938 58.200 0.072 0.000 1.014 201 S CB -0.640 62.622 63.200 0.103 0.000 0.915 201 S HN 0.620 nan 8.310 nan 0.000 0.435 202 C N 1.788 121.046 119.300 -0.070 0.000 2.359 202 C HA -0.113 4.347 4.460 -0.000 0.000 0.277 202 C C 3.035 177.960 174.990 -0.108 0.000 1.192 202 C CA 1.661 60.546 59.018 -0.221 0.000 1.759 202 C CB -1.841 25.422 27.740 -0.796 0.000 2.038 202 C HN 0.702 nan 8.230 nan 0.000 0.448 203 A N -0.142 122.609 122.820 -0.115 0.000 1.917 203 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 203 A C 2.329 179.895 177.584 -0.030 0.000 1.182 203 A CA 2.709 54.708 52.037 -0.063 0.000 0.633 203 A CB -1.166 17.806 19.000 -0.046 0.000 0.819 203 A HN 0.721 nan 8.150 nan 0.000 0.448 204 S N -0.847 114.826 115.700 -0.045 0.000 2.359 204 S HA -0.168 4.302 4.470 -0.000 0.000 0.223 204 S C 1.638 176.156 174.600 -0.136 0.000 1.039 204 S CA 1.754 59.890 58.200 -0.107 0.000 1.042 204 S CB -0.612 62.472 63.200 -0.194 0.000 0.915 204 S HN 0.563 nan 8.310 nan 0.000 0.439 205 F N 1.570 121.505 119.950 -0.024 0.000 2.134 205 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 205 F C 2.144 177.943 175.800 -0.001 0.000 1.097 205 F CA 0.843 58.838 58.000 -0.007 0.000 1.264 205 F CB -0.529 38.450 39.000 -0.035 0.000 1.001 205 F HN 0.116 nan 8.300 nan 0.000 0.479 206 L N -0.430 120.864 121.223 0.117 0.000 2.012 206 L HA -0.284 4.056 4.340 -0.000 0.000 0.210 206 L C 2.725 179.703 176.870 0.180 0.000 1.073 206 L CA 1.366 56.232 54.840 0.044 0.000 0.748 206 L CB -1.093 40.909 42.059 -0.095 0.000 0.891 206 L HN 0.170 nan 8.230 nan 0.000 0.431 207 A N -0.299 122.586 122.820 0.108 0.000 1.972 207 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 207 A C 2.356 179.985 177.584 0.074 0.000 1.169 207 A CA 1.253 53.351 52.037 0.101 0.000 0.635 207 A CB -0.433 18.589 19.000 0.037 0.000 0.810 207 A HN 0.328 nan 8.150 nan 0.000 0.446 208 R N -0.677 119.855 120.500 0.054 0.000 2.092 208 R HA 0.029 4.369 4.340 -0.000 0.000 0.231 208 R C 1.805 178.145 176.300 0.066 0.000 1.119 208 R CA 1.171 57.295 56.100 0.040 0.000 0.970 208 R CB -0.414 29.907 30.300 0.036 0.000 0.864 208 R HN 0.500 nan 8.270 nan 0.000 0.440 209 L N -0.931 120.375 121.223 0.138 0.000 2.362 209 L HA -0.057 4.283 4.340 -0.000 0.000 0.219 209 L C 1.523 178.413 176.870 0.032 0.000 1.134 209 L CA 1.199 56.119 54.840 0.134 0.000 0.807 209 L CB -0.030 42.148 42.059 0.199 0.000 0.927 209 L HN 0.573 nan 8.230 nan 0.000 0.447 210 G N -2.607 106.207 108.800 0.022 0.000 2.421 210 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.188 210 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.188 210 G C -0.031 174.802 174.900 -0.112 0.000 1.001 210 G CA -0.637 44.334 45.100 -0.215 0.000 0.693 210 G HN 0.105 nan 8.290 nan 0.000 0.479 211 Y N 2.517 122.925 120.300 0.179 0.000 2.805 211 Y HA 0.260 4.810 4.550 -0.000 0.000 0.331 211 Y C 1.924 177.875 175.900 0.086 0.000 1.241 211 Y CA 1.060 59.270 58.100 0.183 0.000 1.546 211 Y CB 0.842 39.394 38.460 0.152 0.000 1.248 211 Y HN 0.262 nan 8.280 nan 0.000 0.559 212 S N -0.628 115.166 115.700 0.157 0.000 2.540 212 S HA 0.055 4.525 4.470 -0.000 0.000 0.218 212 S C 0.163 174.833 174.600 0.116 0.000 0.977 212 S CA -0.113 58.147 58.200 0.099 0.000 0.918 212 S CB 0.318 63.545 63.200 0.046 0.000 0.806 212 S HN 0.673 nan 8.310 nan 0.000 0.496 213 D N 1.585 122.084 120.400 0.165 0.000 2.441 213 D HA 0.423 5.063 4.640 -0.000 0.000 0.287 213 D C -1.159 175.248 176.300 0.178 0.000 1.198 213 D CA -0.289 53.808 54.000 0.162 0.000 0.894 213 D CB 0.239 41.143 40.800 0.174 0.000 1.070 213 D HN 0.333 nan 8.370 nan 0.000 0.499 214 I N 1.303 121.946 120.570 0.122 0.000 2.389 214 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 214 I C -0.033 176.083 176.117 -0.001 0.000 0.999 214 I CA -0.429 60.914 61.300 0.073 0.000 1.129 214 I CB 2.221 40.251 38.000 0.051 0.000 1.288 214 I HN -0.095 nan 8.210 nan 0.000 0.444 215 T N 6.809 121.314 114.554 -0.083 0.000 2.881 215 T HA 0.592 4.942 4.350 -0.000 0.000 0.290 215 T C -0.296 174.079 174.700 -0.542 0.000 1.000 215 T CA -0.380 61.547 62.100 -0.290 0.000 0.978 215 T CB 1.590 70.278 68.868 -0.299 0.000 0.997 215 T HN 0.260 nan 8.240 nan 0.000 0.443 216 I N 3.069 123.349 120.570 -0.483 0.000 2.354 216 I HA 0.413 4.583 4.170 -0.000 0.000 0.292 216 I C -0.790 175.022 176.117 -0.509 0.000 0.989 216 I CA -0.752 60.311 61.300 -0.396 0.000 1.188 216 I CB 1.103 39.018 38.000 -0.142 0.000 1.342 216 I HN 0.587 nan 8.210 nan 0.000 0.457 217 F N 4.546 124.501 119.950 0.008 0.000 2.313 217 F HA 0.287 4.814 4.527 -0.000 0.000 0.369 217 F C 0.518 176.318 175.800 0.000 0.000 1.109 217 F CA -0.690 57.312 58.000 0.002 0.000 1.132 217 F CB 0.761 39.753 39.000 -0.014 0.000 1.291 217 F HN 0.417 nan 8.300 nan 0.000 0.496 218 E N 3.519 123.796 120.200 0.129 0.000 2.227 218 E HA 0.165 4.515 4.350 -0.000 0.000 0.282 218 E C 0.806 177.425 176.600 0.032 0.000 1.015 218 E CA -0.324 56.112 56.400 0.060 0.000 0.823 218 E CB 1.379 31.092 29.700 0.022 0.000 1.081 218 E HN 0.526 nan 8.360 nan 0.000 0.396 219 K N 2.991 123.387 120.400 -0.006 0.000 1.973 219 K HA -0.086 4.234 4.320 -0.000 0.000 0.210 219 K C 0.475 177.009 176.600 -0.110 0.000 1.045 219 K CA 0.916 57.181 56.287 -0.037 0.000 0.937 219 K CB 0.052 32.532 32.500 -0.034 0.000 0.721 219 K HN 0.566 nan 8.250 nan 0.000 0.438 220 Q N 0.531 120.185 119.800 -0.243 0.000 2.697 220 Q HA -0.087 4.253 4.340 -0.000 0.000 0.196 220 Q C 1.059 176.857 176.000 -0.336 0.000 1.121 220 Q CA 0.727 56.269 55.803 -0.436 0.000 1.151 220 Q CB 0.335 28.396 28.738 -1.127 0.000 1.250 220 Q HN 0.528 nan 8.270 nan 0.000 0.658 221 E N -0.732 119.268 120.200 -0.332 0.000 2.479 221 E HA -0.010 4.340 4.350 -0.000 0.000 0.193 221 E C -0.355 176.225 176.600 -0.033 0.000 1.049 221 E CA 0.075 56.405 56.400 -0.117 0.000 0.870 221 E CB -0.057 29.623 29.700 -0.032 0.000 0.944 221 E HN 0.468 nan 8.360 nan 0.000 0.492 222 Y N -0.144 120.171 120.300 0.025 0.000 2.509 222 Y HA 0.614 5.164 4.550 -0.000 0.000 0.341 222 Y C -0.216 175.725 175.900 0.068 0.000 1.038 222 Y CA -2.096 56.025 58.100 0.035 0.000 1.089 222 Y CB 0.843 39.299 38.460 -0.006 0.000 1.241 222 Y HN -0.118 nan 8.280 nan 0.000 0.468 223 V N -1.075 119.064 119.914 0.375 0.000 3.093 223 V HA 0.960 5.080 4.120 -0.000 0.000 0.320 223 V C 0.671 176.941 176.094 0.294 0.000 1.093 223 V CA -0.416 62.048 62.300 0.274 0.000 1.016 223 V CB 0.840 32.763 31.823 0.167 0.000 1.096 223 V HN 1.748 nan 8.190 nan 0.000 0.452 224 G N -0.501 108.412 108.800 0.187 0.000 2.195 224 G HA2 0.220 4.180 3.960 -0.000 0.000 0.224 224 G HA3 0.220 4.180 3.960 -0.000 0.000 0.224 224 G C 1.481 176.456 174.900 0.125 0.000 0.990 224 G CA 0.395 45.572 45.100 0.128 0.000 0.639 224 G HN 2.854 nan 8.290 nan 0.000 0.514 225 G N -0.116 108.797 108.800 0.189 0.000 2.598 225 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.269 225 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.269 225 G C 1.149 176.115 174.900 0.110 0.000 1.289 225 G CA 0.355 45.554 45.100 0.165 0.000 0.926 225 G HN 1.233 nan 8.290 nan 0.000 0.567 226 L N -0.120 121.148 121.223 0.076 0.000 2.085 226 L HA -0.251 4.089 4.340 -0.000 0.000 0.218 226 L C 3.175 180.041 176.870 -0.005 0.000 1.080 226 L CA 2.495 57.353 54.840 0.029 0.000 0.776 226 L CB -0.697 41.376 42.059 0.024 0.000 0.891 226 L HN 0.634 nan 8.230 nan 0.000 0.437 227 S N -1.483 114.221 115.700 0.006 0.000 2.462 227 S HA -0.169 4.301 4.470 -0.000 0.000 0.243 227 S C 1.757 176.351 174.600 -0.009 0.000 1.003 227 S CA 1.634 59.828 58.200 -0.010 0.000 0.970 227 S CB -0.199 62.997 63.200 -0.007 0.000 0.762 227 S HN 0.530 nan 8.310 nan 0.000 0.510 228 T N 0.851 115.400 114.554 -0.009 0.000 3.087 228 T HA 0.033 4.383 4.350 -0.000 0.000 0.237 228 T C 2.254 176.819 174.700 -0.225 0.000 0.990 228 T CA 0.818 62.900 62.100 -0.032 0.000 1.160 228 T CB -0.264 68.621 68.868 0.029 0.000 0.923 228 T HN 0.560 nan 8.240 nan 0.000 0.442 229 S N 1.311 116.841 115.700 -0.284 0.000 2.447 229 S HA 0.030 4.500 4.470 -0.000 0.000 0.233 229 S C 1.558 176.046 174.600 -0.188 0.000 1.006 229 S CA 1.061 59.068 58.200 -0.322 0.000 0.957 229 S CB -0.118 62.983 63.200 -0.167 0.000 0.773 229 S HN 0.542 nan 8.310 nan 0.000 0.507 230 E N -0.118 120.003 120.200 -0.131 0.000 2.717 230 E HA 0.372 4.722 4.350 -0.000 0.000 0.204 230 E C -0.166 176.355 176.600 -0.132 0.000 0.911 230 E CA -0.291 56.037 56.400 -0.121 0.000 1.370 230 E CB 0.314 29.974 29.700 -0.067 0.000 1.315 230 E HN 0.384 nan 8.360 nan 0.000 0.643 231 I N 4.667 125.173 120.570 -0.107 0.000 2.741 231 I HA -0.016 4.154 4.170 -0.000 0.000 0.288 231 I C -2.247 173.745 176.117 -0.209 0.000 1.192 231 I CA -1.422 59.804 61.300 -0.122 0.000 1.426 231 I CB -0.081 37.869 38.000 -0.082 0.000 1.367 231 I HN -0.168 nan 8.210 nan 0.000 0.563 232 P HA -0.095 nan 4.420 nan 0.000 0.265 232 P C 0.256 177.227 177.300 -0.547 0.000 1.187 232 P CA 0.078 62.778 63.100 -0.668 0.000 0.766 232 P CB 0.544 31.387 31.700 -1.428 0.000 0.820 233 Q N 3.515 123.092 119.800 -0.372 0.000 2.226 233 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 233 Q C 1.156 177.142 176.000 -0.023 0.000 0.975 233 Q CA 1.856 57.592 55.803 -0.112 0.000 0.866 233 Q CB -0.802 27.936 28.738 -0.001 0.000 0.915 233 Q HN 0.569 nan 8.270 nan 0.000 0.440 234 F N -1.876 118.164 119.950 0.151 0.000 2.802 234 F HA 0.342 4.869 4.527 -0.000 0.000 0.300 234 F C 1.357 177.186 175.800 0.048 0.000 1.168 234 F CA -0.002 58.048 58.000 0.083 0.000 1.433 234 F CB -0.059 38.954 39.000 0.022 0.000 1.115 234 F HN -0.025 nan 8.300 nan 0.000 0.582 235 R N -0.074 120.446 120.500 0.034 0.000 2.243 235 R HA 0.360 4.700 4.340 -0.000 0.000 0.193 235 R C -0.599 175.714 176.300 0.021 0.000 0.933 235 R CA -0.017 56.127 56.100 0.073 0.000 1.105 235 R CB 0.404 30.718 30.300 0.023 0.000 1.169 235 R HN 0.241 nan 8.270 nan 0.000 0.599 236 L N 2.263 123.468 121.223 -0.030 0.000 2.518 236 L HA 0.490 4.830 4.340 -0.000 0.000 0.262 236 L C -2.982 173.879 176.870 -0.013 0.000 0.982 236 L CA -2.185 52.645 54.840 -0.016 0.000 0.873 236 L CB 1.793 43.834 42.059 -0.030 0.000 1.198 236 L HN -0.190 nan 8.230 nan 0.000 0.427 237 P HA 0.043 nan 4.420 nan 0.000 0.267 237 P C -0.018 177.298 177.300 0.026 0.000 1.205 237 P CA 0.178 63.293 63.100 0.025 0.000 0.765 237 P CB 0.252 31.967 31.700 0.025 0.000 0.828 238 Y N 4.530 124.798 120.300 -0.053 0.000 2.315 238 Y HA -0.270 4.280 4.550 0.000 0.000 0.288 238 Y C 1.598 177.494 175.900 -0.007 0.000 1.154 238 Y CA 2.196 60.267 58.100 -0.047 0.000 1.229 238 Y CB -0.469 37.946 38.460 -0.075 0.000 0.980 238 Y HN 0.387 nan 8.280 nan 0.000 0.540 239 D N -1.252 119.121 120.400 -0.045 0.000 2.371 239 D HA -0.116 4.524 4.640 -0.000 0.000 0.221 239 D C 1.666 177.907 176.300 -0.098 0.000 0.986 239 D CA 0.939 54.880 54.000 -0.099 0.000 0.899 239 D CB -0.497 40.312 40.800 0.015 0.000 0.902 239 D HN 0.289 nan 8.370 nan 0.000 0.530 240 V N 0.030 119.896 119.914 -0.079 0.000 2.407 240 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 240 V C 2.561 178.638 176.094 -0.029 0.000 1.041 240 V CA 0.929 63.253 62.300 0.039 0.000 1.040 240 V CB -0.022 31.826 31.823 0.042 0.000 0.671 240 V HN 0.197 nan 8.190 nan 0.000 0.455 241 V N 1.004 120.784 119.914 -0.224 0.000 2.255 241 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 241 V C 2.424 178.352 176.094 -0.277 0.000 1.051 241 V CA 2.486 64.622 62.300 -0.273 0.000 1.018 241 V CB -0.957 30.633 31.823 -0.388 0.000 0.641 241 V HN 0.699 nan 8.190 nan 0.000 0.445 242 N N 0.009 118.444 118.700 -0.442 0.000 2.149 242 N HA -0.248 4.492 4.740 -0.000 0.000 0.188 242 N C 2.029 177.523 175.510 -0.026 0.000 1.019 242 N CA 1.973 54.893 53.050 -0.216 0.000 0.857 242 N CB -0.245 38.136 38.487 -0.177 0.000 0.997 242 N HN 0.464 nan 8.380 nan 0.000 0.426 243 F N 2.268 122.134 119.950 -0.139 0.000 2.065 243 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 243 F C 2.062 177.843 175.800 -0.032 0.000 1.112 243 F CA 1.733 59.681 58.000 -0.086 0.000 1.212 243 F CB -0.847 38.105 39.000 -0.080 0.000 0.975 243 F HN 0.112 nan 8.300 nan 0.000 0.476 244 E N 0.131 120.079 120.200 -0.419 0.000 2.150 244 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 244 E C 2.394 178.872 176.600 -0.204 0.000 0.985 244 E CA 1.163 57.286 56.400 -0.462 0.000 0.814 244 E CB -0.137 29.397 29.700 -0.276 0.000 0.752 244 E HN 0.380 nan 8.360 nan 0.000 0.466 245 I N 1.553 122.050 120.570 -0.121 0.000 2.179 245 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 245 I C 2.276 178.371 176.117 -0.036 0.000 1.088 245 I CA 1.240 62.505 61.300 -0.058 0.000 1.357 245 I CB -0.885 37.099 38.000 -0.027 0.000 1.051 245 I HN 0.094 nan 8.210 nan 0.000 0.409 246 E N 0.879 121.066 120.200 -0.023 0.000 2.085 246 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 246 E C 2.422 179.022 176.600 0.000 0.000 0.994 246 E CA 0.875 57.279 56.400 0.007 0.000 0.801 246 E CB -0.400 29.325 29.700 0.041 0.000 0.743 246 E HN 0.459 nan 8.360 nan 0.000 0.453 247 L N 0.301 121.507 121.223 -0.028 0.000 2.129 247 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 247 L C 2.652 179.534 176.870 0.020 0.000 1.087 247 L CA 1.161 56.006 54.840 0.008 0.000 0.757 247 L CB -0.352 41.690 42.059 -0.028 0.000 0.896 247 L HN 0.232 nan 8.230 nan 0.000 0.434 248 M N -0.088 119.506 119.600 -0.009 0.000 2.077 248 M HA -0.223 4.257 4.480 -0.000 0.000 0.261 248 M C 2.262 178.558 176.300 -0.008 0.000 1.070 248 M CA 1.757 57.050 55.300 -0.011 0.000 1.125 248 M CB -0.060 32.525 32.600 -0.025 0.000 1.339 248 M HN 0.016 nan 8.290 nan 0.000 0.409 249 K N 0.320 120.717 120.400 -0.005 0.000 2.113 249 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 249 K C 1.457 178.057 176.600 0.001 0.000 1.047 249 K CA 1.691 57.979 56.287 0.001 0.000 0.928 249 K CB -0.515 31.989 32.500 0.006 0.000 0.716 249 K HN 0.479 nan 8.250 nan 0.000 0.446 250 D N 0.894 121.295 120.400 0.001 0.000 2.271 250 D HA -0.159 4.481 4.640 -0.000 0.000 0.207 250 D C 1.352 177.644 176.300 -0.013 0.000 0.983 250 D CA 1.013 55.010 54.000 -0.004 0.000 0.878 250 D CB 0.060 40.858 40.800 -0.004 0.000 0.920 250 D HN 0.241 nan 8.370 nan 0.000 0.479 251 L N -0.714 120.501 121.223 -0.013 0.000 2.653 251 L HA 0.185 4.525 4.340 -0.000 0.000 0.231 251 L C 1.581 178.450 176.870 -0.003 0.000 1.153 251 L CA 0.243 55.074 54.840 -0.016 0.000 0.933 251 L CB 0.141 42.188 42.059 -0.020 0.000 1.175 251 L HN 0.089 nan 8.230 nan 0.000 0.473 252 G N -0.237 108.564 108.800 0.001 0.000 2.225 252 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.254 252 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.254 252 G C 0.456 175.365 174.900 0.015 0.000 0.988 252 G CA 0.115 45.221 45.100 0.011 0.000 0.625 252 G HN 0.102 nan 8.290 nan 0.000 0.527 253 V N 1.487 121.406 119.914 0.008 0.000 2.814 253 V HA 0.261 4.381 4.120 -0.000 0.000 0.307 253 V C 0.816 176.905 176.094 -0.008 0.000 1.089 253 V CA 0.928 63.228 62.300 0.000 0.000 1.212 253 V CB 1.001 32.817 31.823 -0.011 0.000 0.912 253 V HN 0.425 nan 8.190 nan 0.000 0.497 254 K N 5.313 125.699 120.400 -0.023 0.000 2.221 254 K HA 0.701 5.021 4.320 -0.000 0.000 0.258 254 K C -1.010 175.542 176.600 -0.080 0.000 0.944 254 K CA -0.545 55.723 56.287 -0.032 0.000 0.823 254 K CB 2.158 34.650 32.500 -0.013 0.000 1.113 254 K HN 0.474 nan 8.250 nan 0.000 0.431 255 I N 3.977 124.517 120.570 -0.050 0.000 2.465 255 I HA 0.414 4.584 4.170 -0.000 0.000 0.291 255 I C -0.623 175.482 176.117 -0.020 0.000 1.014 255 I CA -0.850 60.414 61.300 -0.060 0.000 1.093 255 I CB 1.585 39.575 38.000 -0.016 0.000 1.267 255 I HN 0.420 nan 8.210 nan 0.000 0.431 256 I N 5.351 125.911 120.570 -0.017 0.000 2.448 256 I HA 0.330 4.500 4.170 -0.000 0.000 0.281 256 I C -0.415 175.769 176.117 0.111 0.000 1.027 256 I CA -0.401 60.949 61.300 0.083 0.000 1.111 256 I CB 1.454 39.572 38.000 0.196 0.000 1.236 256 I HN 0.529 nan 8.210 nan 0.000 0.452 257 C N 3.683 123.027 119.300 0.073 0.000 2.443 257 C HA 0.674 5.134 4.460 -0.000 0.000 0.369 257 C C 1.558 176.579 174.990 0.051 0.000 1.241 257 C CA 0.740 59.785 59.018 0.046 0.000 2.413 257 C CB 0.572 28.321 27.740 0.014 0.000 2.451 257 C HN 1.130 nan 8.230 nan 0.000 0.595 258 G N 1.149 109.963 108.800 0.023 0.000 2.194 258 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.236 258 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.236 258 G C -0.218 174.700 174.900 0.030 0.000 0.987 258 G CA -0.198 44.913 45.100 0.019 0.000 0.635 258 G HN 0.600 nan 8.290 nan 0.000 0.520 259 K N 0.794 121.233 120.400 0.065 0.000 2.182 259 K HA 0.747 5.067 4.320 -0.000 0.000 0.262 259 K C -0.485 176.137 176.600 0.037 0.000 0.957 259 K CA -0.358 55.956 56.287 0.046 0.000 0.842 259 K CB 1.864 34.416 32.500 0.087 0.000 1.099 259 K HN 0.158 nan 8.250 nan 0.000 0.438 260 S N 1.520 117.216 115.700 -0.006 0.000 2.599 260 S HA 0.474 4.944 4.470 -0.000 0.000 0.294 260 S C -1.281 173.310 174.600 -0.016 0.000 1.094 260 S CA -0.804 57.397 58.200 0.001 0.000 0.931 260 S CB 0.910 64.108 63.200 -0.003 0.000 1.093 260 S HN 0.466 nan 8.310 nan 0.000 0.488 261 L N 3.982 125.205 121.223 0.001 0.000 2.358 261 L HA 0.653 4.993 4.340 -0.000 0.000 0.274 261 L C -0.344 176.526 176.870 0.001 0.000 1.136 261 L CA 0.528 55.366 54.840 -0.004 0.000 0.970 261 L CB 0.152 42.216 42.059 0.008 0.000 1.314 261 L HN 0.504 nan 8.230 nan 0.000 0.427 262 S N 2.000 117.696 115.700 -0.006 0.000 2.564 262 S HA 0.249 4.719 4.470 -0.000 0.000 0.274 262 S C 0.710 175.309 174.600 -0.002 0.000 1.124 262 S CA -0.411 57.788 58.200 -0.001 0.000 0.869 262 S CB 1.394 64.593 63.200 -0.002 0.000 1.105 262 S HN 0.737 nan 8.310 nan 0.000 0.472 263 E N 1.868 122.069 120.200 0.001 0.000 2.444 263 E HA -0.200 4.150 4.350 -0.000 0.000 0.204 263 E C 0.617 177.218 176.600 0.000 0.000 1.049 263 E CA 1.452 57.853 56.400 0.002 0.000 0.872 263 E CB -0.072 29.627 29.700 -0.002 0.000 0.791 263 E HN 0.577 nan 8.360 nan 0.000 0.548 264 N N -0.493 118.206 118.700 -0.003 0.000 2.414 264 N HA 0.011 4.751 4.740 -0.000 0.000 0.177 264 N C 0.763 176.267 175.510 -0.009 0.000 1.062 264 N CA 0.654 53.702 53.050 -0.004 0.000 0.890 264 N CB 0.398 38.883 38.487 -0.004 0.000 1.070 264 N HN 0.312 nan 8.380 nan 0.000 0.454 265 E N 0.350 120.540 120.200 -0.016 0.000 2.949 265 E HA 0.337 4.687 4.350 -0.000 0.000 0.182 265 E C 0.024 176.596 176.600 -0.047 0.000 1.154 265 E CA -0.141 56.240 56.400 -0.031 0.000 1.205 265 E CB 0.931 30.607 29.700 -0.039 0.000 1.865 265 E HN -0.040 nan 8.360 nan 0.000 0.516 266 I N 2.513 123.044 120.570 -0.064 0.000 2.336 266 I HA 0.283 4.453 4.170 -0.000 0.000 0.292 266 I C -0.438 175.661 176.117 -0.029 0.000 0.991 266 I CA -0.344 60.904 61.300 -0.086 0.000 1.227 266 I CB 1.529 39.422 38.000 -0.178 0.000 1.366 266 I HN 0.232 nan 8.210 nan 0.000 0.466 267 T N 2.436 116.994 114.554 0.007 0.000 2.868 267 T HA 0.433 4.783 4.350 -0.000 0.000 0.306 267 T C 0.855 175.622 174.700 0.111 0.000 1.224 267 T CA -0.893 61.235 62.100 0.046 0.000 1.012 267 T CB 1.370 70.268 68.868 0.049 0.000 1.221 267 T HN 0.377 nan 8.240 nan 0.000 0.499 268 L N 0.933 122.236 121.223 0.132 0.000 2.089 268 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 268 L C 2.570 179.686 176.870 0.409 0.000 1.079 268 L CA 1.506 56.510 54.840 0.274 0.000 0.758 268 L CB -0.659 41.525 42.059 0.208 0.000 0.891 268 L HN 0.693 nan 8.230 nan 0.000 0.433 269 N N -0.434 118.407 118.700 0.236 0.000 2.142 269 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 269 N C 1.970 177.562 175.510 0.137 0.000 1.023 269 N CA 2.066 55.217 53.050 0.168 0.000 0.852 269 N CB -0.440 38.109 38.487 0.103 0.000 0.998 269 N HN 0.472 nan 8.380 nan 0.000 0.424 270 T N -0.033 114.595 114.554 0.124 0.000 2.788 270 T HA -0.040 4.310 4.350 -0.000 0.000 0.268 270 T C 2.224 177.028 174.700 0.173 0.000 1.044 270 T CA 0.743 62.905 62.100 0.103 0.000 1.139 270 T CB -0.552 68.353 68.868 0.062 0.000 0.867 270 T HN 0.071 nan 8.240 nan 0.000 0.454 271 L N 0.642 122.024 121.223 0.264 0.000 2.027 271 L HA 0.011 4.351 4.340 -0.000 0.000 0.206 271 L C 3.027 180.144 176.870 0.412 0.000 1.074 271 L CA 1.750 56.872 54.840 0.469 0.000 0.745 271 L CB -0.514 41.828 42.059 0.472 0.000 0.898 271 L HN 0.289 nan 8.230 nan 0.000 0.433 272 K N 0.649 121.182 120.400 0.221 0.000 2.009 272 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 272 K C 1.927 178.496 176.600 -0.052 0.000 1.049 272 K CA 1.748 57.951 56.287 -0.140 0.000 0.929 272 K CB -0.034 32.252 32.500 -0.356 0.000 0.714 272 K HN 0.241 nan 8.250 nan 0.000 0.440 273 E N 0.287 120.490 120.200 0.006 0.000 2.160 273 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 273 E C 1.573 178.171 176.600 -0.004 0.000 0.991 273 E CA 1.350 57.747 56.400 -0.005 0.000 0.810 273 E CB 0.083 29.791 29.700 0.014 0.000 0.742 273 E HN 0.427 nan 8.360 nan 0.000 0.466 274 E N -0.978 119.242 120.200 0.034 0.000 2.482 274 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 274 E C 0.981 177.484 176.600 -0.161 0.000 1.047 274 E CA 0.349 56.731 56.400 -0.030 0.000 0.869 274 E CB 0.399 30.129 29.700 0.050 0.000 0.836 274 E HN 0.384 nan 8.360 nan 0.000 0.520 275 G N 0.570 109.304 108.800 -0.109 0.000 2.179 275 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 275 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 275 G C -0.226 174.622 174.900 -0.087 0.000 0.990 275 G CA -0.451 44.575 45.100 -0.124 0.000 0.646 275 G HN 0.257 nan 8.290 nan 0.000 0.517 276 Y N 1.305 121.682 120.300 0.128 0.000 2.465 276 Y HA 0.330 4.880 4.550 -0.000 0.000 0.331 276 Y C 1.834 177.876 175.900 0.237 0.000 1.102 276 Y CA -0.018 58.220 58.100 0.230 0.000 1.358 276 Y CB 0.822 39.485 38.460 0.340 0.000 1.213 276 Y HN -0.082 nan 8.280 nan 0.000 0.525 277 K N 2.321 122.983 120.400 0.436 0.000 2.305 277 K HA 0.272 4.592 4.320 -0.000 0.000 0.199 277 K C 0.181 177.179 176.600 0.664 0.000 1.047 277 K CA 0.508 57.046 56.287 0.419 0.000 0.976 277 K CB 0.248 32.975 32.500 0.379 0.000 0.765 277 K HN 0.613 nan 8.250 nan 0.000 0.474 278 A N 0.174 123.405 122.820 0.686 0.000 2.589 278 A HA 0.717 5.037 4.320 -0.000 0.000 0.296 278 A C -1.693 176.136 177.584 0.409 0.000 1.062 278 A CA -0.396 52.023 52.037 0.637 0.000 0.686 278 A CB 1.616 20.912 19.000 0.493 0.000 1.282 278 A HN 0.059 nan 8.150 nan 0.000 0.404 279 A N 0.554 123.481 122.820 0.179 0.000 2.486 279 A HA 0.775 5.095 4.320 -0.000 0.000 0.300 279 A C -1.528 176.105 177.584 0.082 0.000 1.048 279 A CA -0.388 51.683 52.037 0.056 0.000 0.696 279 A CB 1.023 19.954 19.000 -0.116 0.000 1.278 279 A HN 1.784 nan 8.150 nan 0.000 0.405 280 F N 3.826 123.764 119.950 -0.022 0.000 2.426 280 F HA 0.635 5.162 4.527 -0.000 0.000 0.348 280 F C -0.750 175.039 175.800 -0.020 0.000 1.124 280 F CA -1.216 56.783 58.000 -0.001 0.000 1.008 280 F CB 0.902 39.896 39.000 -0.011 0.000 1.139 280 F HN 0.377 nan 8.300 nan 0.000 0.452 281 I N 5.463 125.593 120.570 -0.733 0.000 2.325 281 I HA 0.359 4.529 4.170 -0.000 0.000 0.291 281 I C 0.659 176.323 176.117 -0.755 0.000 1.019 281 I CA -0.511 60.460 61.300 -0.549 0.000 1.302 281 I CB 0.640 38.414 38.000 -0.376 0.000 1.401 281 I HN 0.832 nan 8.210 nan 0.000 0.485 282 G N 6.552 115.143 108.800 -0.349 0.000 4.412 282 G HA2 0.383 4.343 3.960 -0.000 0.000 0.262 282 G HA3 0.383 4.343 3.960 -0.000 0.000 0.262 282 G C 0.494 175.380 174.900 -0.024 0.000 1.142 282 G CA -0.231 44.774 45.100 -0.158 0.000 0.783 282 G HN 0.659 nan 8.290 nan 0.000 0.533 283 I N -1.694 118.850 120.570 -0.043 0.000 3.860 283 I HA 0.496 4.666 4.170 -0.000 0.000 0.319 283 I C 1.276 177.404 176.117 0.019 0.000 1.279 283 I CA 0.199 61.502 61.300 0.004 0.000 1.220 283 I CB 0.138 38.139 38.000 0.002 0.000 1.027 283 I HN 0.451 nan 8.210 nan 0.000 0.428 284 G N 3.005 111.810 108.800 0.009 0.000 2.552 284 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.265 284 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.265 284 G C -0.332 174.587 174.900 0.031 0.000 1.234 284 G CA 0.164 45.279 45.100 0.025 0.000 0.944 284 G HN 0.349 nan 8.290 nan 0.000 0.568 285 L N 2.166 123.413 121.223 0.040 0.000 2.445 285 L HA 0.325 4.665 4.340 -0.000 0.000 0.252 285 L C -1.048 175.852 176.870 0.050 0.000 1.105 285 L CA -1.350 53.519 54.840 0.047 0.000 0.943 285 L CB 1.798 43.884 42.059 0.045 0.000 1.277 285 L HN 0.497 nan 8.230 nan 0.000 0.465 286 P HA -0.132 nan 4.420 nan 0.000 0.221 286 P C 0.164 177.496 177.300 0.054 0.000 1.145 286 P CA 1.127 64.258 63.100 0.053 0.000 0.795 286 P CB 0.614 32.342 31.700 0.047 0.000 0.775 287 E N 0.844 121.077 120.200 0.055 0.000 2.221 287 E HA 0.376 4.726 4.350 -0.000 0.000 0.268 287 E C -2.432 174.204 176.600 0.061 0.000 0.933 287 E CA -2.786 53.648 56.400 0.057 0.000 0.809 287 E CB 1.439 31.173 29.700 0.056 0.000 1.190 287 E HN 0.159 nan 8.360 nan 0.000 0.406 288 P HA 0.066 nan 4.420 nan 0.000 0.282 288 P C -1.070 176.282 177.300 0.087 0.000 1.249 288 P CA -0.431 62.709 63.100 0.065 0.000 0.806 288 P CB 0.831 32.562 31.700 0.052 0.000 0.984 289 K N 2.118 122.583 120.400 0.108 0.000 2.338 289 K HA 0.206 4.526 4.320 -0.000 0.000 0.290 289 K C 0.201 176.911 176.600 0.183 0.000 1.069 289 K CA -0.171 56.205 56.287 0.149 0.000 0.941 289 K CB 0.033 32.645 32.500 0.187 0.000 1.023 289 K HN 0.493 nan 8.250 nan 0.000 0.477 290 T N 0.569 115.224 114.554 0.169 0.000 2.902 290 T HA 0.298 4.648 4.350 -0.000 0.000 0.280 290 T C -0.343 174.491 174.700 0.224 0.000 0.992 290 T CA -0.945 61.273 62.100 0.196 0.000 1.015 290 T CB 1.635 70.588 68.868 0.141 0.000 1.044 290 T HN 0.508 nan 8.240 nan 0.000 0.520 291 D N -0.649 119.898 120.400 0.244 0.000 2.671 291 D HA 0.237 4.877 4.640 -0.000 0.000 0.232 291 D C 0.380 176.661 176.300 -0.032 0.000 1.114 291 D CA -0.501 53.571 54.000 0.121 0.000 0.858 291 D CB 2.687 43.574 40.800 0.146 0.000 1.544 291 D HN 0.570 nan 8.370 nan 0.000 0.471 292 D N 1.652 122.002 120.400 -0.083 0.000 2.106 292 D HA -0.173 4.467 4.640 -0.000 0.000 0.191 292 D C 1.977 178.147 176.300 -0.217 0.000 0.997 292 D CA 1.772 55.703 54.000 -0.115 0.000 0.834 292 D CB -0.175 40.569 40.800 -0.094 0.000 0.956 292 D HN 0.630 nan 8.370 nan 0.000 0.448 293 I N -2.414 117.936 120.570 -0.367 0.000 2.730 293 I HA -0.210 3.960 4.170 -0.000 0.000 0.266 293 I C 1.005 176.795 176.117 -0.545 0.000 1.228 293 I CA 1.070 62.073 61.300 -0.494 0.000 1.445 293 I CB -0.828 36.784 38.000 -0.647 0.000 1.102 293 I HN -0.052 nan 8.210 nan 0.000 0.464 294 F N 0.637 120.445 119.950 -0.237 0.000 2.639 294 F HA 0.293 4.820 4.527 -0.000 0.000 0.302 294 F C 1.162 176.702 175.800 -0.433 0.000 1.097 294 F CA -0.968 56.733 58.000 -0.498 0.000 1.294 294 F CB 0.078 38.673 39.000 -0.674 0.000 1.027 294 F HN 0.053 nan 8.300 nan 0.000 0.550 295 Q N 0.835 120.554 119.800 -0.134 0.000 2.300 295 Q HA 0.351 4.691 4.340 -0.000 0.000 0.280 295 Q C 1.206 177.138 176.000 -0.113 0.000 1.033 295 Q CA 1.328 57.071 55.803 -0.101 0.000 0.903 295 Q CB 0.917 29.606 28.738 -0.081 0.000 1.195 295 Q HN 0.524 nan 8.270 nan 0.000 0.386 296 G N 3.059 111.805 108.800 -0.091 0.000 2.304 296 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.252 296 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.252 296 G C -0.020 174.822 174.900 -0.097 0.000 1.014 296 G CA 0.200 45.253 45.100 -0.079 0.000 0.619 296 G HN 0.582 nan 8.290 nan 0.000 0.525 297 L N 2.105 123.225 121.223 -0.172 0.000 2.485 297 L HA 0.490 4.830 4.340 -0.000 0.000 0.275 297 L C 1.267 178.089 176.870 -0.081 0.000 1.207 297 L CA 0.818 55.549 54.840 -0.182 0.000 0.855 297 L CB 0.690 42.487 42.059 -0.436 0.000 1.114 297 L HN 0.523 nan 8.230 nan 0.000 0.485 298 T N -1.647 112.891 114.554 -0.026 0.000 2.907 298 T HA 0.262 4.612 4.350 -0.000 0.000 0.290 298 T C 0.463 175.112 174.700 -0.085 0.000 1.066 298 T CA -0.886 61.200 62.100 -0.023 0.000 1.012 298 T CB 1.705 70.550 68.868 -0.038 0.000 1.184 298 T HN 0.552 nan 8.240 nan 0.000 0.522 299 Q N 0.092 119.766 119.800 -0.210 0.000 2.135 299 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 299 Q C 1.554 177.400 176.000 -0.256 0.000 0.981 299 Q CA 1.864 57.378 55.803 -0.482 0.000 0.856 299 Q CB -0.165 28.282 28.738 -0.486 0.000 0.902 299 Q HN 0.665 nan 8.270 nan 0.000 0.425 300 D N 0.420 120.749 120.400 -0.117 0.000 2.182 300 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 300 D C 1.688 177.971 176.300 -0.028 0.000 0.986 300 D CA 1.117 55.089 54.000 -0.047 0.000 0.847 300 D CB 0.025 40.811 40.800 -0.024 0.000 0.942 300 D HN 0.433 nan 8.370 nan 0.000 0.467 301 Q N -0.546 119.234 119.800 -0.034 0.000 2.311 301 Q HA 0.122 4.462 4.340 -0.000 0.000 0.203 301 Q C 1.152 177.161 176.000 0.014 0.000 0.954 301 Q CA 0.791 56.591 55.803 -0.004 0.000 0.885 301 Q CB 0.645 29.382 28.738 -0.002 0.000 0.963 301 Q HN 0.295 nan 8.270 nan 0.000 0.471 302 G N 0.718 109.511 108.800 -0.012 0.000 2.157 302 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.118 302 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.118 302 G C -0.782 174.157 174.900 0.065 0.000 1.032 302 G CA -0.588 44.536 45.100 0.040 0.000 0.697 302 G HN 0.239 nan 8.290 nan 0.000 0.495 303 F N 1.349 121.161 119.950 -0.231 0.000 2.495 303 F HA 0.845 5.372 4.527 -0.000 0.000 0.327 303 F C -0.642 174.961 175.800 -0.328 0.000 1.103 303 F CA -1.282 56.593 58.000 -0.208 0.000 0.949 303 F CB 1.203 40.079 39.000 -0.206 0.000 1.142 303 F HN 0.062 nan 8.300 nan 0.000 0.457 304 Y N 1.038 120.580 120.300 -1.263 0.000 2.655 304 Y HA 0.576 5.126 4.550 -0.000 0.000 0.336 304 Y C -0.220 175.014 175.900 -1.109 0.000 1.154 304 Y CA -1.199 56.392 58.100 -0.847 0.000 1.055 304 Y CB 1.892 40.117 38.460 -0.391 0.000 1.295 304 Y HN 0.618 nan 8.280 nan 0.000 0.465 305 T N -3.157 111.186 114.554 -0.351 0.000 2.908 305 T HA 0.355 4.705 4.350 -0.000 0.000 0.290 305 T C 0.955 175.596 174.700 -0.099 0.000 1.034 305 T CA -0.144 61.783 62.100 -0.289 0.000 1.010 305 T CB 1.564 70.362 68.868 -0.118 0.000 1.068 305 T HN 0.829 nan 8.240 nan 0.000 0.481 306 S N 1.709 117.358 115.700 -0.085 0.000 2.393 306 S HA -0.257 4.213 4.470 -0.000 0.000 0.234 306 S C 1.758 176.372 174.600 0.025 0.000 1.064 306 S CA 1.064 59.264 58.200 -0.000 0.000 1.088 306 S CB -0.764 62.433 63.200 -0.004 0.000 0.939 306 S HN 0.691 nan 8.310 nan 0.000 0.448 307 K N 1.112 121.523 120.400 0.019 0.000 2.360 307 K HA -0.019 4.301 4.320 -0.000 0.000 0.201 307 K C 1.309 177.943 176.600 0.056 0.000 1.046 307 K CA 1.215 57.523 56.287 0.035 0.000 0.945 307 K CB -0.417 32.109 32.500 0.042 0.000 0.750 307 K HN 0.588 nan 8.250 nan 0.000 0.464 308 D N -0.651 119.799 120.400 0.083 0.000 2.414 308 D HA -0.045 4.595 4.640 -0.000 0.000 0.237 308 D C 1.664 178.090 176.300 0.211 0.000 0.975 308 D CA 0.330 54.419 54.000 0.149 0.000 0.917 308 D CB -0.276 40.628 40.800 0.174 0.000 1.061 308 D HN 0.010 nan 8.370 nan 0.000 0.480 309 F N 2.190 122.140 119.950 0.002 0.000 2.022 309 F HA -0.063 4.464 4.527 -0.000 0.000 0.293 309 F C 2.220 177.946 175.800 -0.124 0.000 1.142 309 F CA 1.175 59.073 58.000 -0.170 0.000 1.177 309 F CB -0.784 37.980 39.000 -0.393 0.000 0.982 309 F HN -0.174 nan 8.300 nan 0.000 0.473 310 L N 0.268 121.290 121.223 -0.336 0.000 2.051 310 L HA -0.232 4.108 4.340 -0.000 0.000 0.214 310 L C -0.455 176.223 176.870 -0.321 0.000 1.076 310 L CA 1.850 56.435 54.840 -0.424 0.000 0.758 310 L CB -2.182 39.762 42.059 -0.192 0.000 0.890 310 L HN 0.175 nan 8.230 nan 0.000 0.433 311 P HA -0.147 nan 4.420 nan 0.000 0.220 311 P C 1.872 179.076 177.300 -0.160 0.000 1.148 311 P CA 1.184 64.195 63.100 -0.149 0.000 0.803 311 P CB 0.135 31.809 31.700 -0.042 0.000 0.782 312 L N -1.240 119.887 121.223 -0.159 0.000 2.005 312 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 312 L C 2.244 178.997 176.870 -0.195 0.000 1.072 312 L CA 1.368 56.135 54.840 -0.122 0.000 0.744 312 L CB -1.020 41.018 42.059 -0.034 0.000 0.895 312 L HN -0.150 nan 8.230 nan 0.000 0.433 313 V N -0.076 119.643 119.914 -0.325 0.000 2.490 313 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 313 V C 2.642 178.581 176.094 -0.258 0.000 1.061 313 V CA 1.614 63.750 62.300 -0.274 0.000 1.064 313 V CB -1.098 30.503 31.823 -0.370 0.000 0.670 313 V HN 0.471 nan 8.190 nan 0.000 0.461 314 A N 0.399 123.054 122.820 -0.276 0.000 1.828 314 A HA -0.237 4.083 4.320 -0.000 0.000 0.215 314 A C 2.283 179.692 177.584 -0.291 0.000 1.203 314 A CA 2.040 53.909 52.037 -0.279 0.000 0.614 314 A CB -0.584 18.246 19.000 -0.283 0.000 0.844 314 A HN 0.492 nan 8.150 nan 0.000 0.445 315 K N -0.319 119.926 120.400 -0.259 0.000 2.173 315 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 315 K C 2.354 178.818 176.600 -0.227 0.000 1.046 315 K CA 1.558 57.709 56.287 -0.227 0.000 0.929 315 K CB -0.223 32.191 32.500 -0.142 0.000 0.720 315 K HN 0.470 nan 8.250 nan 0.000 0.453 316 S N 0.344 115.902 115.700 -0.236 0.000 2.406 316 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 316 S C 1.905 176.303 174.600 -0.337 0.000 1.030 316 S CA 1.308 59.356 58.200 -0.253 0.000 0.958 316 S CB 0.025 63.106 63.200 -0.198 0.000 0.811 316 S HN 0.409 nan 8.310 nan 0.000 0.489 317 S N 0.027 115.443 115.700 -0.474 0.000 2.503 317 S HA 0.293 4.763 4.470 -0.000 0.000 0.217 317 S C 0.386 174.708 174.600 -0.464 0.000 0.999 317 S CA -0.286 57.477 58.200 -0.727 0.000 0.914 317 S CB -0.163 62.207 63.200 -1.384 0.000 0.782 317 S HN 0.340 nan 8.310 nan 0.000 0.520 318 K N 2.588 122.785 120.400 -0.339 0.000 2.300 318 K HA 0.573 4.893 4.320 -0.000 0.000 0.264 318 K C -0.644 175.806 176.600 -0.250 0.000 1.083 318 K CA -0.285 55.846 56.287 -0.260 0.000 0.958 318 K CB 1.215 33.551 32.500 -0.273 0.000 1.318 318 K HN 0.324 nan 8.250 nan 0.000 0.448 319 A N 1.851 124.582 122.820 -0.149 0.000 2.491 319 A HA 0.435 4.755 4.320 -0.000 0.000 0.261 319 A C 1.248 178.792 177.584 -0.066 0.000 1.101 319 A CA 0.831 52.835 52.037 -0.055 0.000 0.772 319 A CB -0.317 18.697 19.000 0.024 0.000 1.043 319 A HN 0.964 nan 8.150 nan 0.000 0.501 320 G N 1.635 110.371 108.800 -0.107 0.000 2.211 320 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.201 320 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.201 320 G C 0.813 175.496 174.900 -0.362 0.000 0.997 320 G CA 0.594 45.643 45.100 -0.086 0.000 0.652 320 G HN 0.792 nan 8.290 nan 0.000 0.500 321 M N 0.115 119.337 119.600 -0.631 0.000 2.121 321 M HA 0.317 4.797 4.480 -0.000 0.000 0.250 321 M C 1.003 177.168 176.300 -0.224 0.000 1.120 321 M CA 1.311 56.204 55.300 -0.679 0.000 1.141 321 M CB 0.118 32.293 32.600 -0.709 0.000 1.254 321 M HN 0.276 nan 8.290 nan 0.000 0.433 322 C N 1.255 120.456 119.300 -0.165 0.000 2.388 322 C HA 0.531 4.991 4.460 -0.000 0.000 0.362 322 C C 1.774 176.740 174.990 -0.039 0.000 1.266 322 C CA -0.482 58.507 59.018 -0.048 0.000 2.028 322 C CB 0.804 28.521 27.740 -0.038 0.000 2.440 322 C HN 0.691 nan 8.230 nan 0.000 0.547 323 A N 2.004 124.823 122.820 -0.001 0.000 1.929 323 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 323 A C 1.300 178.894 177.584 0.017 0.000 1.176 323 A CA 1.082 53.125 52.037 0.010 0.000 0.628 323 A CB -0.756 18.257 19.000 0.022 0.000 0.816 323 A HN 1.063 nan 8.150 nan 0.000 0.444 324 C N -0.041 119.272 119.300 0.022 0.000 2.727 324 C HA 0.343 4.803 4.460 -0.000 0.000 0.401 324 C C 0.750 175.771 174.990 0.051 0.000 1.294 324 C CA -0.745 58.299 59.018 0.043 0.000 2.134 324 C CB -0.742 27.024 27.740 0.043 0.000 2.724 324 C HN 0.608 nan 8.230 nan 0.000 0.677 325 H N 2.097 121.159 119.070 -0.014 0.000 2.690 325 H HA 0.394 4.950 4.556 0.000 0.000 0.314 325 H C -0.633 174.688 175.328 -0.011 0.000 1.069 325 H CA 0.362 56.400 56.048 -0.017 0.000 1.436 325 H CB 0.927 30.676 29.762 -0.021 0.000 1.462 325 H HN 0.849 nan 8.280 nan 0.000 0.511 326 S N 6.945 122.436 115.700 -0.349 0.000 2.473 326 S HA 0.338 4.808 4.470 -0.000 0.000 0.307 326 S C -2.537 171.913 174.600 -0.249 0.000 1.094 326 S CA -1.256 56.836 58.200 -0.181 0.000 1.070 326 S CB 1.798 64.920 63.200 -0.131 0.000 1.019 326 S HN 0.626 nan 8.310 nan 0.000 0.480 327 P HA 0.229 nan 4.420 nan 0.000 0.275 327 P C -0.870 176.434 177.300 0.006 0.000 1.227 327 P CA -0.679 62.440 63.100 0.031 0.000 0.781 327 P CB 0.402 32.169 31.700 0.110 0.000 0.906 328 L N 6.646 127.882 121.223 0.022 0.000 2.315 328 L HA 0.329 4.669 4.340 -0.000 0.000 0.283 328 L C -2.125 174.801 176.870 0.094 0.000 1.089 328 L CA -2.041 52.827 54.840 0.046 0.000 0.833 328 L CB -0.451 41.655 42.059 0.077 0.000 1.170 328 L HN 0.304 nan 8.230 nan 0.000 0.442 329 P HA -0.032 nan 4.420 nan 0.000 0.261 329 P C -0.933 176.460 177.300 0.154 0.000 1.165 329 P CA 0.302 63.501 63.100 0.165 0.000 0.759 329 P CB 0.187 32.021 31.700 0.224 0.000 0.772 330 S N 3.671 119.456 115.700 0.143 0.000 2.473 330 S HA 0.403 4.873 4.470 -0.000 0.000 0.312 330 S C -0.082 174.583 174.600 0.109 0.000 1.087 330 S CA -0.665 57.604 58.200 0.115 0.000 1.077 330 S CB -0.593 62.665 63.200 0.097 0.000 1.065 330 S HN 0.255 nan 8.310 nan 0.000 0.510 331 I N 3.567 124.191 120.570 0.090 0.000 2.359 331 I HA 0.456 4.626 4.170 -0.000 0.000 0.284 331 I C 0.111 176.256 176.117 0.046 0.000 1.018 331 I CA -0.591 60.740 61.300 0.051 0.000 1.173 331 I CB 1.125 39.118 38.000 -0.011 0.000 1.326 331 I HN 0.451 nan 8.210 nan 0.000 0.462 332 R N 3.719 124.248 120.500 0.049 0.000 2.686 332 R HA 0.840 5.180 4.340 -0.000 0.000 0.286 332 R C -0.043 176.286 176.300 0.049 0.000 0.969 332 R CA -0.132 55.998 56.100 0.049 0.000 0.898 332 R CB 2.089 32.420 30.300 0.051 0.000 1.183 332 R HN 0.830 nan 8.270 nan 0.000 0.456 333 G N 0.894 109.727 108.800 0.054 0.000 2.526 333 G HA2 0.126 4.086 3.960 -0.000 0.000 0.250 333 G HA3 0.126 4.086 3.960 -0.000 0.000 0.250 333 G C -1.214 173.738 174.900 0.086 0.000 1.289 333 G CA -0.585 44.555 45.100 0.066 0.000 0.947 333 G HN 0.764 nan 8.290 nan 0.000 0.517 334 A N -0.757 122.134 122.820 0.118 0.000 2.409 334 A HA 0.657 4.977 4.320 -0.000 0.000 0.267 334 A C 0.431 178.109 177.584 0.156 0.000 1.127 334 A CA 0.273 52.432 52.037 0.204 0.000 0.795 334 A CB 0.705 19.857 19.000 0.253 0.000 1.061 334 A HN 1.809 nan 8.150 nan 0.000 0.502 335 V N 4.095 124.102 119.914 0.156 0.000 2.532 335 V HA 0.415 4.535 4.120 -0.000 0.000 0.295 335 V C 0.017 176.196 176.094 0.142 0.000 1.041 335 V CA -0.315 62.022 62.300 0.062 0.000 0.926 335 V CB 1.549 33.340 31.823 -0.053 0.000 0.992 335 V HN 0.736 nan 8.190 nan 0.000 0.457 336 I N 4.304 124.915 120.570 0.069 0.000 2.410 336 I HA 0.370 4.540 4.170 -0.000 0.000 0.286 336 I C -0.773 175.347 176.117 0.007 0.000 1.009 336 I CA -0.636 60.728 61.300 0.107 0.000 1.111 336 I CB 2.023 40.113 38.000 0.151 0.000 1.262 336 I HN 0.271 nan 8.210 nan 0.000 0.443 337 V N 7.512 127.414 119.914 -0.020 0.000 2.364 337 V HA 0.335 4.455 4.120 -0.000 0.000 0.272 337 V C 0.190 176.286 176.094 0.004 0.000 1.036 337 V CA -0.483 61.765 62.300 -0.086 0.000 0.880 337 V CB 1.438 33.165 31.823 -0.160 0.000 0.991 337 V HN 0.473 nan 8.190 nan 0.000 0.460 338 L N 5.502 126.756 121.223 0.052 0.000 2.265 338 L HA 0.832 5.172 4.340 -0.000 0.000 0.288 338 L C 0.751 177.815 176.870 0.323 0.000 1.058 338 L CA 0.239 55.237 54.840 0.264 0.000 0.809 338 L CB 0.879 43.177 42.059 0.398 0.000 1.179 338 L HN 0.930 nan 8.230 nan 0.000 0.429 339 G N 2.450 111.399 108.800 0.249 0.000 2.428 339 G HA2 0.238 4.198 3.960 -0.000 0.000 0.681 339 G HA3 0.238 4.198 3.960 -0.000 0.000 0.681 339 G C -0.575 174.282 174.900 -0.070 0.000 1.340 339 G CA -0.262 44.922 45.100 0.139 0.000 0.915 339 G HN 0.759 nan 8.290 nan 0.000 0.645 340 A N -0.064 122.663 122.820 -0.156 0.000 2.610 340 A HA 0.782 5.102 4.320 -0.000 0.000 0.291 340 A C 1.195 178.699 177.584 -0.133 0.000 1.116 340 A CA 1.243 53.065 52.037 -0.359 0.000 0.963 340 A CB -0.071 18.576 19.000 -0.588 0.000 1.220 340 A HN 2.226 nan 8.150 nan 0.000 0.530 341 G N -0.878 107.870 108.800 -0.087 0.000 2.651 341 G HA2 0.303 4.263 3.960 -0.000 0.000 0.260 341 G HA3 0.303 4.263 3.960 -0.000 0.000 0.260 341 G C 0.204 175.188 174.900 0.139 0.000 1.216 341 G CA -0.014 45.098 45.100 0.019 0.000 0.913 341 G HN 0.191 nan 8.290 nan 0.000 0.535 342 D N -0.548 119.948 120.400 0.160 0.000 2.219 342 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 342 D C 2.479 178.899 176.300 0.200 0.000 0.970 342 D CA 1.327 55.475 54.000 0.247 0.000 0.851 342 D CB 0.093 40.959 40.800 0.110 0.000 0.943 342 D HN 0.329 nan 8.370 nan 0.000 0.488 343 T N 0.971 115.581 114.554 0.093 0.000 2.777 343 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 343 T C 2.105 176.816 174.700 0.018 0.000 1.040 343 T CA 1.154 63.287 62.100 0.055 0.000 1.141 343 T CB -0.141 68.746 68.868 0.031 0.000 0.868 343 T HN 0.161 nan 8.240 nan 0.000 0.444 344 A N 1.037 123.818 122.820 -0.066 0.000 1.927 344 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 344 A C 1.942 179.353 177.584 -0.287 0.000 1.185 344 A CA 1.707 53.608 52.037 -0.226 0.000 0.639 344 A CB -1.126 17.635 19.000 -0.399 0.000 0.820 344 A HN 0.550 nan 8.150 nan 0.000 0.451 345 F N -0.006 119.928 119.950 -0.026 0.000 2.234 345 F HA -0.107 4.420 4.527 0.000 0.000 0.299 345 F C 2.089 177.909 175.800 0.032 0.000 1.087 345 F CA 1.275 59.263 58.000 -0.019 0.000 1.340 345 F CB -0.163 38.829 39.000 -0.013 0.000 1.031 345 F HN 0.180 nan 8.300 nan 0.000 0.500 346 D N -0.490 120.028 120.400 0.198 0.000 2.183 346 D HA -0.117 4.523 4.640 -0.000 0.000 0.203 346 D C 2.278 178.679 176.300 0.168 0.000 0.969 346 D CA 0.934 55.040 54.000 0.177 0.000 0.842 346 D CB -0.397 40.458 40.800 0.091 0.000 0.957 346 D HN 0.266 nan 8.370 nan 0.000 0.484 347 C N 1.042 120.414 119.300 0.120 0.000 2.453 347 C HA -0.007 4.453 4.460 -0.000 0.000 0.277 347 C C 2.901 177.968 174.990 0.129 0.000 1.262 347 C CA 0.712 59.834 59.018 0.174 0.000 1.718 347 C CB -0.895 26.879 27.740 0.057 0.000 2.031 347 C HN 0.351 nan 8.230 nan 0.000 0.480 348 A N 1.522 124.354 122.820 0.020 0.000 1.851 348 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 348 A C 2.319 179.924 177.584 0.035 0.000 1.195 348 A CA 3.148 55.172 52.037 -0.022 0.000 0.622 348 A CB -1.482 17.472 19.000 -0.078 0.000 0.831 348 A HN 0.676 nan 8.150 nan 0.000 0.444 349 T N -2.573 112.034 114.554 0.088 0.000 2.684 349 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 349 T C 2.036 176.792 174.700 0.092 0.000 1.036 349 T CA 2.021 64.147 62.100 0.043 0.000 1.148 349 T CB -0.778 68.133 68.868 0.072 0.000 0.863 349 T HN 0.275 nan 8.240 nan 0.000 0.436 350 S N 1.875 117.743 115.700 0.281 0.000 2.356 350 S HA 0.065 4.535 4.470 -0.000 0.000 0.223 350 S C 2.680 177.434 174.600 0.257 0.000 1.032 350 S CA 1.040 59.421 58.200 0.301 0.000 1.005 350 S CB -0.995 62.329 63.200 0.207 0.000 0.867 350 S HN 0.784 nan 8.310 nan 0.000 0.449 351 A N 1.685 124.679 122.820 0.290 0.000 1.927 351 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 351 A C 2.091 179.720 177.584 0.074 0.000 1.185 351 A CA 1.452 53.594 52.037 0.175 0.000 0.639 351 A CB -0.910 18.063 19.000 -0.045 0.000 0.820 351 A HN 0.482 nan 8.150 nan 0.000 0.451 352 L N -1.706 119.523 121.223 0.010 0.000 2.079 352 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 352 L C 2.780 179.622 176.870 -0.048 0.000 1.081 352 L CA 1.620 56.435 54.840 -0.042 0.000 0.752 352 L CB -0.456 41.542 42.059 -0.102 0.000 0.896 352 L HN 0.259 nan 8.230 nan 0.000 0.433 353 R N -0.710 119.744 120.500 -0.077 0.000 2.193 353 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 353 R C 2.067 178.394 176.300 0.045 0.000 1.110 353 R CA 1.041 57.058 56.100 -0.139 0.000 0.988 353 R CB -0.867 29.197 30.300 -0.394 0.000 0.871 353 R HN 0.368 nan 8.270 nan 0.000 0.458 354 C N -1.422 117.946 119.300 0.112 0.000 2.618 354 C HA 0.396 4.856 4.460 -0.000 0.000 0.264 354 C C 1.496 176.545 174.990 0.100 0.000 1.334 354 C CA 0.495 59.602 59.018 0.148 0.000 1.731 354 C CB -0.578 27.286 27.740 0.205 0.000 1.852 354 C HN 0.716 nan 8.230 nan 0.000 0.566 355 G N 0.035 108.874 108.800 0.064 0.000 2.192 355 G HA2 0.046 4.006 3.960 -0.000 0.000 0.193 355 G HA3 0.046 4.006 3.960 -0.000 0.000 0.193 355 G C 0.191 175.117 174.900 0.043 0.000 0.999 355 G CA 0.012 45.144 45.100 0.054 0.000 0.659 355 G HN 0.841 nan 8.290 nan 0.000 0.503 356 A N 0.324 123.162 122.820 0.030 0.000 2.587 356 A HA 0.492 4.812 4.320 -0.000 0.000 0.235 356 A C 1.410 179.013 177.584 0.031 0.000 1.044 356 A CA 1.468 53.516 52.037 0.018 0.000 0.754 356 A CB 0.136 19.129 19.000 -0.011 0.000 0.968 356 A HN 0.585 nan 8.150 nan 0.000 0.509 357 R N 0.666 121.194 120.500 0.046 0.000 2.100 357 R HA 0.040 4.380 4.340 -0.000 0.000 0.220 357 R C 0.124 176.460 176.300 0.061 0.000 1.091 357 R CA 0.820 56.959 56.100 0.065 0.000 0.986 357 R CB 0.100 30.443 30.300 0.071 0.000 0.888 357 R HN 0.764 nan 8.270 nan 0.000 0.444 358 R N -0.197 120.327 120.500 0.040 0.000 2.668 358 R HA 0.377 4.717 4.340 -0.000 0.000 0.272 358 R C -1.674 174.553 176.300 -0.120 0.000 1.019 358 R CA -0.719 55.352 56.100 -0.048 0.000 0.894 358 R CB 2.624 32.950 30.300 0.044 0.000 1.228 358 R HN -0.102 nan 8.270 nan 0.000 0.460 359 V N 3.355 123.065 119.914 -0.339 0.000 2.577 359 V HA 0.536 4.656 4.120 -0.000 0.000 0.303 359 V C -1.090 174.693 176.094 -0.519 0.000 1.042 359 V CA -0.752 61.385 62.300 -0.272 0.000 0.872 359 V CB 1.761 33.484 31.823 -0.166 0.000 0.998 359 V HN 0.507 nan 8.190 nan 0.000 0.423 360 F N 4.520 124.430 119.950 -0.066 0.000 2.444 360 F HA 0.645 5.172 4.527 -0.000 0.000 0.342 360 F C -0.049 175.662 175.800 -0.147 0.000 1.121 360 F CA -0.716 57.234 58.000 -0.084 0.000 0.997 360 F CB 1.592 40.556 39.000 -0.060 0.000 1.130 360 F HN 0.195 nan 8.300 nan 0.000 0.454 361 L N 4.396 125.549 121.223 -0.117 0.000 2.265 361 L HA 0.614 4.954 4.340 -0.000 0.000 0.289 361 L C -0.887 175.952 176.870 -0.052 0.000 1.033 361 L CA -0.717 54.011 54.840 -0.187 0.000 0.814 361 L CB 1.303 43.036 42.059 -0.543 0.000 1.203 361 L HN 0.334 nan 8.230 nan 0.000 0.423 362 V N 4.447 124.357 119.914 -0.008 0.000 2.407 362 V HA 0.475 4.595 4.120 -0.000 0.000 0.291 362 V C -0.364 175.745 176.094 0.024 0.000 1.018 362 V CA -0.583 61.633 62.300 -0.141 0.000 0.842 362 V CB 0.998 32.741 31.823 -0.132 0.000 0.996 362 V HN 0.474 nan 8.190 nan 0.000 0.426 363 F N 2.233 122.139 119.950 -0.072 0.000 2.579 363 F HA 0.674 5.201 4.527 0.000 0.000 0.324 363 F C 1.167 176.895 175.800 -0.120 0.000 1.058 363 F CA -1.399 56.537 58.000 -0.107 0.000 0.944 363 F CB 1.446 40.336 39.000 -0.183 0.000 1.245 363 F HN 0.456 nan 8.300 nan 0.000 0.477 364 R N 0.213 120.707 120.500 -0.010 0.000 2.323 364 R HA 0.290 4.630 4.340 -0.000 0.000 0.198 364 R C -0.280 175.841 176.300 -0.298 0.000 0.988 364 R CA 0.378 56.409 56.100 -0.116 0.000 1.041 364 R CB -0.123 30.085 30.300 -0.152 0.000 0.926 364 R HN 0.664 nan 8.270 nan 0.000 0.476 365 K N 0.025 120.220 120.400 -0.341 0.000 2.158 365 K HA 0.453 4.773 4.320 -0.000 0.000 0.243 365 K C 0.074 176.343 176.600 -0.551 0.000 1.079 365 K CA -0.687 55.200 56.287 -0.667 0.000 0.920 365 K CB 1.047 33.053 32.500 -0.824 0.000 1.400 365 K HN 0.096 nan 8.250 nan 0.000 0.561 366 G N -0.137 108.412 108.800 -0.419 0.000 2.557 366 G HA2 0.193 4.153 3.960 -0.000 0.000 0.292 366 G HA3 0.193 4.153 3.960 -0.000 0.000 0.292 366 G C 0.027 175.020 174.900 0.155 0.000 1.237 366 G CA -0.273 44.598 45.100 -0.381 0.000 0.978 366 G HN 0.420 nan 8.290 nan 0.000 0.498 367 F N -0.519 119.564 119.950 0.222 0.000 2.171 367 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 367 F C 2.862 178.714 175.800 0.087 0.000 1.090 367 F CA 1.206 59.338 58.000 0.221 0.000 1.293 367 F CB 0.037 39.163 39.000 0.211 0.000 1.013 367 F HN 0.090 nan 8.300 nan 0.000 0.486 368 V N -0.285 119.801 119.914 0.286 0.000 2.867 368 V HA -0.268 3.852 4.120 -0.000 0.000 0.260 368 V C 1.130 177.286 176.094 0.103 0.000 1.099 368 V CA 1.880 64.289 62.300 0.181 0.000 1.122 368 V CB -1.040 30.896 31.823 0.189 0.000 0.708 368 V HN 0.349 nan 8.190 nan 0.000 0.490 369 N N -0.286 118.460 118.700 0.077 0.000 2.412 369 N HA 0.206 4.946 4.740 -0.000 0.000 0.184 369 N C 0.395 175.843 175.510 -0.104 0.000 1.101 369 N CA 0.107 53.166 53.050 0.015 0.000 0.881 369 N CB -0.051 38.453 38.487 0.028 0.000 0.969 369 N HN 0.418 nan 8.380 nan 0.000 0.459 370 I N 1.309 121.768 120.570 -0.184 0.000 2.662 370 I HA -0.032 4.138 4.170 -0.000 0.000 0.285 370 I C 1.016 177.063 176.117 -0.117 0.000 1.161 370 I CA 0.414 61.564 61.300 -0.250 0.000 1.415 370 I CB 0.672 38.474 38.000 -0.331 0.000 1.385 370 I HN 0.080 nan 8.210 nan 0.000 0.552 371 R N 4.562 125.008 120.500 -0.089 0.000 2.393 371 R HA 0.299 4.639 4.340 -0.000 0.000 0.244 371 R C 0.423 176.701 176.300 -0.038 0.000 0.920 371 R CA -0.285 55.782 56.100 -0.055 0.000 1.076 371 R CB 0.494 30.763 30.300 -0.051 0.000 1.119 371 R HN 0.730 nan 8.270 nan 0.000 0.524 372 A N 1.290 124.096 122.820 -0.023 0.000 2.371 372 A HA 0.267 4.587 4.320 -0.000 0.000 0.257 372 A C 0.558 178.081 177.584 -0.102 0.000 1.089 372 A CA -0.492 51.530 52.037 -0.026 0.000 0.794 372 A CB 0.520 19.539 19.000 0.032 0.000 1.029 372 A HN 0.155 nan 8.150 nan 0.000 0.488 373 V N 1.207 121.067 119.914 -0.090 0.000 2.673 373 V HA 0.144 4.264 4.120 -0.000 0.000 0.303 373 V C -1.611 174.393 176.094 -0.149 0.000 1.046 373 V CA -0.546 61.697 62.300 -0.095 0.000 1.126 373 V CB 0.406 32.188 31.823 -0.069 0.000 0.934 373 V HN 0.765 nan 8.190 nan 0.000 0.487 374 P HA -0.131 nan 4.420 nan 0.000 0.216 374 P C 1.390 178.598 177.300 -0.154 0.000 1.153 374 P CA 1.781 64.801 63.100 -0.134 0.000 0.858 374 P CB 0.192 31.846 31.700 -0.077 0.000 0.789 375 E N -0.641 119.483 120.200 -0.127 0.000 2.118 375 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 375 E C 1.975 178.468 176.600 -0.178 0.000 0.992 375 E CA 1.236 57.550 56.400 -0.143 0.000 0.804 375 E CB -0.682 28.957 29.700 -0.101 0.000 0.741 375 E HN 0.311 nan 8.360 nan 0.000 0.458 376 E N 0.040 120.133 120.200 -0.179 0.000 2.107 376 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 376 E C 1.846 178.241 176.600 -0.343 0.000 0.982 376 E CA 0.746 57.032 56.400 -0.189 0.000 0.809 376 E CB -0.109 29.503 29.700 -0.146 0.000 0.756 376 E HN 0.095 nan 8.360 nan 0.000 0.459 377 V N 1.144 120.747 119.914 -0.518 0.000 2.307 377 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 377 V C 2.455 178.413 176.094 -0.226 0.000 1.045 377 V CA 2.173 64.066 62.300 -0.678 0.000 1.024 377 V CB -0.624 30.871 31.823 -0.546 0.000 0.651 377 V HN 0.441 nan 8.190 nan 0.000 0.449 378 E N -0.037 120.057 120.200 -0.176 0.000 2.160 378 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 378 E C 2.229 178.781 176.600 -0.079 0.000 0.991 378 E CA 1.275 57.612 56.400 -0.105 0.000 0.810 378 E CB -0.134 29.486 29.700 -0.133 0.000 0.742 378 E HN 0.572 nan 8.360 nan 0.000 0.466 379 L N 0.348 121.502 121.223 -0.115 0.000 1.989 379 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 379 L C 2.706 179.581 176.870 0.008 0.000 1.071 379 L CA 1.400 56.197 54.840 -0.072 0.000 0.749 379 L CB -0.590 41.437 42.059 -0.053 0.000 0.890 379 L HN 0.271 nan 8.230 nan 0.000 0.431 380 A N -0.033 122.837 122.820 0.083 0.000 1.851 380 A HA -0.296 4.024 4.320 -0.000 0.000 0.216 380 A C 2.350 180.063 177.584 0.215 0.000 1.195 380 A CA 2.164 54.308 52.037 0.178 0.000 0.622 380 A CB -0.638 18.583 19.000 0.369 0.000 0.831 380 A HN 0.361 nan 8.150 nan 0.000 0.444 381 K N 0.349 120.926 120.400 0.294 0.000 2.089 381 K HA -0.266 4.054 4.320 -0.000 0.000 0.210 381 K C 1.960 178.627 176.600 0.112 0.000 1.048 381 K CA 2.070 58.501 56.287 0.240 0.000 0.926 381 K CB -0.239 32.306 32.500 0.075 0.000 0.714 381 K HN 0.805 nan 8.250 nan 0.000 0.448 382 E N -0.222 120.014 120.200 0.061 0.000 2.285 382 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 382 E C 0.608 177.208 176.600 -0.001 0.000 0.997 382 E CA 0.732 57.150 56.400 0.030 0.000 0.845 382 E CB 0.064 29.790 29.700 0.043 0.000 0.782 382 E HN 0.404 nan 8.360 nan 0.000 0.491 383 E N 1.194 121.387 120.200 -0.012 0.000 2.368 383 E HA 0.033 4.383 4.350 -0.000 0.000 0.188 383 E C -0.462 176.090 176.600 -0.080 0.000 1.061 383 E CA -0.195 56.161 56.400 -0.073 0.000 0.933 383 E CB 0.252 29.887 29.700 -0.107 0.000 1.091 383 E HN 0.079 nan 8.360 nan 0.000 0.458 384 K N -0.587 119.801 120.400 -0.020 0.000 3.117 384 K HA -0.159 4.161 4.320 -0.000 0.000 0.269 384 K C -0.503 176.105 176.600 0.014 0.000 1.098 384 K CA 0.301 56.589 56.287 0.002 0.000 0.785 384 K CB -3.167 29.291 32.500 -0.070 0.000 1.242 384 K HN 0.259 nan 8.250 nan 0.000 0.491 385 C N 1.026 120.374 119.300 0.081 0.000 2.601 385 C HA 0.314 4.774 4.460 -0.000 0.000 0.409 385 C C 1.370 176.471 174.990 0.185 0.000 1.293 385 C CA -0.510 58.523 59.018 0.025 0.000 2.101 385 C CB 0.734 28.474 27.740 0.001 0.000 2.639 385 C HN 0.384 nan 8.230 nan 0.000 0.592 386 E N 0.810 120.995 120.200 -0.025 0.000 2.283 386 E HA 0.615 4.965 4.350 -0.000 0.000 0.271 386 E C -1.344 175.445 176.600 0.314 0.000 1.031 386 E CA -0.208 56.302 56.400 0.183 0.000 0.868 386 E CB 0.479 30.121 29.700 -0.096 0.000 1.094 386 E HN 0.385 nan 8.360 nan 0.000 0.401 387 F N 2.726 122.826 119.950 0.250 0.000 2.495 387 F HA 0.486 5.013 4.527 0.000 0.000 0.327 387 F C -0.551 175.372 175.800 0.205 0.000 1.103 387 F CA -0.829 57.366 58.000 0.325 0.000 0.949 387 F CB 1.173 40.545 39.000 0.621 0.000 1.142 387 F HN 0.252 nan 8.300 nan 0.000 0.457 388 L N 5.496 126.748 121.223 0.047 0.000 2.427 388 L HA 0.422 4.762 4.340 -0.000 0.000 0.264 388 L C -2.625 173.878 176.870 -0.611 0.000 0.989 388 L CA -1.681 53.074 54.840 -0.142 0.000 0.865 388 L CB 1.951 43.911 42.059 -0.165 0.000 1.209 388 L HN 0.319 nan 8.230 nan 0.000 0.430 389 P HA 0.355 nan 4.420 nan 0.000 0.280 389 P C -0.180 177.082 177.300 -0.063 0.000 1.272 389 P CA -0.467 62.290 63.100 -0.572 0.000 0.819 389 P CB 0.902 32.599 31.700 -0.004 0.000 1.122 390 F N -2.242 117.680 119.950 -0.047 0.000 2.983 390 F HA -0.190 4.337 4.527 -0.000 0.000 0.288 390 F C -0.230 175.578 175.800 0.013 0.000 0.980 390 F CA 0.548 58.594 58.000 0.075 0.000 0.965 390 F CB -1.842 37.248 39.000 0.150 0.000 0.967 390 F HN 0.143 nan 8.300 nan 0.000 0.800 391 L N 0.406 121.668 121.223 0.064 0.000 2.476 391 L HA 0.489 4.829 4.340 -0.000 0.000 0.269 391 L C -0.152 176.849 176.870 0.219 0.000 0.965 391 L CA -0.577 54.324 54.840 0.100 0.000 0.845 391 L CB 2.232 44.198 42.059 -0.155 0.000 1.259 391 L HN 0.105 nan 8.230 nan 0.000 0.403 392 S N 4.716 120.577 115.700 0.270 0.000 2.454 392 S HA 0.639 5.109 4.470 -0.000 0.000 0.306 392 S C -2.481 172.235 174.600 0.195 0.000 1.100 392 S CA -1.502 56.815 58.200 0.195 0.000 1.087 392 S CB 1.518 64.766 63.200 0.081 0.000 1.019 392 S HN 0.311 nan 8.310 nan 0.000 0.480 393 P HA 0.310 nan 4.420 nan 0.000 0.272 393 P C -0.261 176.894 177.300 -0.240 0.000 1.223 393 P CA -0.252 62.645 63.100 -0.338 0.000 0.784 393 P CB 0.739 32.340 31.700 -0.165 0.000 0.923 394 R N 0.572 120.882 120.500 -0.317 0.000 2.725 394 R HA 0.271 4.611 4.340 -0.000 0.000 0.207 394 R C 0.427 176.589 176.300 -0.229 0.000 0.924 394 R CA 0.392 56.365 56.100 -0.213 0.000 1.098 394 R CB 0.637 30.863 30.300 -0.123 0.000 1.602 394 R HN 0.510 nan 8.270 nan 0.000 0.615 395 K N 0.348 120.592 120.400 -0.261 0.000 2.562 395 K HA 0.398 4.718 4.320 -0.000 0.000 0.267 395 K C -1.627 174.860 176.600 -0.189 0.000 0.938 395 K CA -0.448 55.717 56.287 -0.204 0.000 0.840 395 K CB 2.644 35.060 32.500 -0.140 0.000 1.390 395 K HN -0.217 nan 8.250 nan 0.000 0.428 396 V N 4.720 124.563 119.914 -0.119 0.000 2.378 396 V HA 0.424 4.544 4.120 -0.000 0.000 0.288 396 V C -0.077 175.987 176.094 -0.050 0.000 1.016 396 V CA -0.782 61.485 62.300 -0.055 0.000 0.840 396 V CB 1.194 33.036 31.823 0.031 0.000 0.994 396 V HN 0.633 nan 8.190 nan 0.000 0.431 397 I N 5.070 125.612 120.570 -0.047 0.000 2.395 397 I HA 0.409 4.579 4.170 -0.000 0.000 0.289 397 I C -0.429 175.688 176.117 -0.001 0.000 1.023 397 I CA -0.305 60.983 61.300 -0.020 0.000 1.350 397 I CB 1.555 39.551 38.000 -0.007 0.000 1.409 397 I HN 0.284 nan 8.210 nan 0.000 0.507 398 V N 6.840 126.754 119.914 0.000 0.000 2.588 398 V HA 0.413 4.533 4.120 -0.000 0.000 0.304 398 V C -0.402 175.697 176.094 0.008 0.000 1.042 398 V CA -0.835 61.468 62.300 0.004 0.000 0.877 398 V CB 1.972 33.792 31.823 -0.005 0.000 0.996 398 V HN 0.654 nan 8.190 nan 0.000 0.425 399 K N 2.923 123.331 120.400 0.013 0.000 2.613 399 K HA 0.606 4.926 4.320 -0.000 0.000 0.248 399 K C 0.593 177.201 176.600 0.013 0.000 0.959 399 K CA -0.079 56.216 56.287 0.014 0.000 0.855 399 K CB 1.737 34.248 32.500 0.019 0.000 1.143 399 K HN 1.043 nan 8.250 nan 0.000 0.437 400 G N 1.349 110.155 108.800 0.009 0.000 2.194 400 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.236 400 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.236 400 G C 0.593 175.498 174.900 0.008 0.000 0.987 400 G CA 0.093 45.199 45.100 0.010 0.000 0.635 400 G HN 1.189 nan 8.290 nan 0.000 0.520 401 G N -1.013 107.791 108.800 0.006 0.000 2.167 401 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.194 401 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.194 401 G C -0.093 174.811 174.900 0.006 0.000 1.027 401 G CA 0.758 45.859 45.100 0.003 0.000 0.717 401 G HN 1.098 nan 8.290 nan 0.000 0.501 402 R N -0.967 119.540 120.500 0.011 0.000 2.651 402 R HA 0.587 4.927 4.340 -0.000 0.000 0.278 402 R C 0.393 176.707 176.300 0.022 0.000 1.010 402 R CA -1.038 55.073 56.100 0.019 0.000 0.896 402 R CB 1.617 31.931 30.300 0.023 0.000 1.211 402 R HN 0.204 nan 8.270 nan 0.000 0.456 403 I N 1.882 122.471 120.570 0.030 0.000 2.882 403 I HA 0.027 4.197 4.170 -0.000 0.000 0.286 403 I C 1.323 177.461 176.117 0.034 0.000 1.139 403 I CA 0.106 61.426 61.300 0.035 0.000 1.379 403 I CB 0.915 38.948 38.000 0.054 0.000 1.410 403 I HN 0.561 nan 8.210 nan 0.000 0.594 404 V N 0.629 120.561 119.914 0.031 0.000 3.443 404 V HA 0.675 4.795 4.120 -0.000 0.000 0.277 404 V C 0.021 176.133 176.094 0.030 0.000 1.648 404 V CA 0.304 62.623 62.300 0.032 0.000 1.058 404 V CB 0.036 31.879 31.823 0.033 0.000 0.877 404 V HN 0.867 nan 8.190 nan 0.000 0.417 405 A N -0.386 122.445 122.820 0.018 0.000 2.583 405 A HA 0.813 5.133 4.320 -0.000 0.000 0.292 405 A C -1.579 175.981 177.584 -0.042 0.000 1.045 405 A CA -0.144 51.891 52.037 -0.003 0.000 0.672 405 A CB 1.780 20.780 19.000 0.000 0.000 1.283 405 A HN 0.846 nan 8.150 nan 0.000 0.419 406 V N 1.178 121.067 119.914 -0.040 0.000 2.638 406 V HA 0.554 4.674 4.120 -0.000 0.000 0.306 406 V C -0.165 175.798 176.094 -0.220 0.000 1.052 406 V CA -0.467 61.758 62.300 -0.124 0.000 0.885 406 V CB 1.763 33.557 31.823 -0.049 0.000 0.999 406 V HN 0.941 nan 8.190 nan 0.000 0.424 407 Q N 2.884 122.451 119.800 -0.388 0.000 2.278 407 Q HA 0.629 4.969 4.340 -0.000 0.000 0.257 407 Q C -1.744 174.060 176.000 -0.326 0.000 0.928 407 Q CA -0.264 55.359 55.803 -0.301 0.000 0.932 407 Q CB 1.073 29.652 28.738 -0.266 0.000 1.221 407 Q HN 0.607 nan 8.270 nan 0.000 0.434 408 F N 1.624 121.549 119.950 -0.042 0.000 2.639 408 F HA 0.652 5.179 4.527 -0.000 0.000 0.339 408 F C -0.165 175.647 175.800 0.020 0.000 1.071 408 F CA -0.905 57.094 58.000 -0.002 0.000 0.994 408 F CB 1.556 40.558 39.000 0.004 0.000 1.341 408 F HN 0.355 nan 8.300 nan 0.000 0.498 409 V N -0.982 119.082 119.914 0.250 0.000 2.841 409 V HA 0.658 4.778 4.120 -0.000 0.000 0.310 409 V C -0.662 175.535 176.094 0.172 0.000 1.090 409 V CA -1.270 61.127 62.300 0.160 0.000 0.930 409 V CB 1.838 33.723 31.823 0.105 0.000 1.014 409 V HN 0.669 nan 8.190 nan 0.000 0.425 410 R N 2.242 122.827 120.500 0.142 0.000 2.641 410 R HA 0.560 4.900 4.340 -0.000 0.000 0.269 410 R C 0.300 176.716 176.300 0.193 0.000 1.074 410 R CA 0.335 56.529 56.100 0.157 0.000 1.133 410 R CB 1.126 31.490 30.300 0.107 0.000 1.029 410 R HN 1.087 nan 8.270 nan 0.000 0.488 411 T N -1.687 113.043 114.554 0.293 0.000 2.926 411 T HA 0.668 5.018 4.350 -0.000 0.000 0.289 411 T C -0.408 174.578 174.700 0.478 0.000 1.054 411 T CA -0.930 61.407 62.100 0.394 0.000 1.015 411 T CB 2.509 71.652 68.868 0.458 0.000 1.167 411 T HN 0.722 nan 8.240 nan 0.000 0.526 412 E N -0.152 120.334 120.200 0.478 0.000 2.417 412 E HA 0.336 4.686 4.350 -0.000 0.000 0.280 412 E C -1.762 174.795 176.600 -0.071 0.000 1.112 412 E CA -1.156 55.371 56.400 0.212 0.000 0.863 412 E CB 0.978 30.684 29.700 0.009 0.000 1.346 412 E HN 0.662 nan 8.360 nan 0.000 0.443 413 Q N 0.879 120.467 119.800 -0.354 0.000 2.312 413 Q HA 0.329 4.669 4.340 -0.000 0.000 0.263 413 Q C -1.231 174.620 176.000 -0.248 0.000 0.995 413 Q CA -0.841 54.657 55.803 -0.508 0.000 0.853 413 Q CB 1.696 29.973 28.738 -0.769 0.000 1.300 413 Q HN 0.543 nan 8.270 nan 0.000 0.448 414 D N -0.167 120.122 120.400 -0.184 0.000 2.432 414 D HA 0.036 4.676 4.640 -0.000 0.000 0.258 414 D C 0.243 176.480 176.300 -0.104 0.000 1.146 414 D CA -0.530 53.406 54.000 -0.107 0.000 1.015 414 D CB 0.629 41.391 40.800 -0.062 0.000 1.107 414 D HN 0.440 nan 8.370 nan 0.000 0.529 415 E N -1.093 119.065 120.200 -0.069 0.000 2.396 415 E HA -0.168 4.182 4.350 -0.000 0.000 0.200 415 E C 1.190 177.760 176.600 -0.049 0.000 1.023 415 E CA 1.470 57.837 56.400 -0.055 0.000 0.857 415 E CB -0.417 29.261 29.700 -0.037 0.000 0.775 415 E HN 0.692 nan 8.360 nan 0.000 0.525 416 T N -3.252 111.272 114.554 -0.050 0.000 3.107 416 T HA 0.279 4.629 4.350 -0.000 0.000 0.249 416 T C 1.461 176.135 174.700 -0.044 0.000 1.096 416 T CA 0.262 62.341 62.100 -0.034 0.000 1.012 416 T CB 0.561 69.417 68.868 -0.019 0.000 0.977 416 T HN 0.242 nan 8.240 nan 0.000 0.527 417 G N 1.317 110.064 108.800 -0.089 0.000 2.143 417 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 417 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 417 G C -0.132 174.690 174.900 -0.131 0.000 0.991 417 G CA 0.343 45.369 45.100 -0.123 0.000 0.689 417 G HN 0.841 nan 8.290 nan 0.000 0.522 418 K N -0.383 119.956 120.400 -0.103 0.000 2.130 418 K HA 0.505 4.825 4.320 -0.000 0.000 0.268 418 K C -0.422 176.147 176.600 -0.052 0.000 0.983 418 K CA -1.089 55.192 56.287 -0.009 0.000 0.893 418 K CB 0.631 33.151 32.500 0.033 0.000 1.066 418 K HN 0.116 nan 8.250 nan 0.000 0.450 419 W N 3.235 124.565 121.300 0.049 0.000 2.338 419 W HA 0.297 4.957 4.660 -0.000 0.000 0.307 419 W C 0.070 176.621 176.519 0.053 0.000 1.167 419 W CA -0.516 56.867 57.345 0.065 0.000 1.208 419 W CB 0.763 30.262 29.460 0.065 0.000 1.228 419 W HN 0.422 nan 8.180 nan 0.000 0.499 420 N N 2.487 121.341 118.700 0.257 0.000 2.335 420 N HA 0.314 5.054 4.740 -0.000 0.000 0.304 420 N C -1.042 174.580 175.510 0.187 0.000 1.135 420 N CA -0.791 52.360 53.050 0.169 0.000 0.817 420 N CB 1.903 40.446 38.487 0.094 0.000 1.294 420 N HN 0.463 nan 8.380 nan 0.000 0.497 421 E N 0.472 120.753 120.200 0.135 0.000 2.141 421 E HA 0.085 4.435 4.350 -0.000 0.000 0.259 421 E C -1.218 175.435 176.600 0.089 0.000 0.883 421 E CA -0.585 55.890 56.400 0.124 0.000 0.744 421 E CB 1.435 31.195 29.700 0.101 0.000 1.150 421 E HN 0.346 nan 8.360 nan 0.000 0.420 422 D N 3.551 124.003 120.400 0.087 0.000 2.398 422 D HA -0.030 4.610 4.640 -0.000 0.000 0.250 422 D C 0.920 177.254 176.300 0.057 0.000 1.287 422 D CA 0.228 54.265 54.000 0.062 0.000 0.992 422 D CB 0.415 41.247 40.800 0.054 0.000 1.071 422 D HN 0.289 nan 8.370 nan 0.000 0.514 423 E N 2.107 122.335 120.200 0.047 0.000 2.394 423 E HA -0.198 4.152 4.350 -0.000 0.000 0.202 423 E C 0.528 177.151 176.600 0.038 0.000 1.029 423 E CA 0.883 57.307 56.400 0.040 0.000 0.855 423 E CB 0.259 29.975 29.700 0.028 0.000 0.770 423 E HN 0.595 nan 8.360 nan 0.000 0.527 424 D N 0.537 120.959 120.400 0.037 0.000 2.183 424 D HA -0.051 4.589 4.640 -0.000 0.000 0.205 424 D C 0.457 176.781 176.300 0.039 0.000 0.962 424 D CA 0.638 54.657 54.000 0.032 0.000 0.849 424 D CB 0.014 40.829 40.800 0.024 0.000 0.978 424 D HN 0.172 nan 8.370 nan 0.000 0.488 425 Q N 1.626 121.454 119.800 0.047 0.000 2.553 425 Q HA 0.235 4.575 4.340 -0.000 0.000 0.221 425 Q C 0.202 176.249 176.000 0.077 0.000 1.219 425 Q CA -0.157 55.678 55.803 0.054 0.000 0.955 425 Q CB 0.345 29.112 28.738 0.049 0.000 1.399 425 Q HN 0.393 nan 8.270 nan 0.000 0.551 426 I N -1.631 118.989 120.570 0.084 0.000 2.945 426 I HA 0.488 4.658 4.170 -0.000 0.000 0.292 426 I C -0.153 176.054 176.117 0.150 0.000 1.093 426 I CA -1.074 60.298 61.300 0.121 0.000 1.336 426 I CB 0.820 38.898 38.000 0.132 0.000 1.435 426 I HN -0.003 nan 8.210 nan 0.000 0.593 427 V N 2.626 122.664 119.914 0.207 0.000 2.612 427 V HA 0.281 4.401 4.120 -0.000 0.000 0.301 427 V C -0.991 175.267 176.094 0.273 0.000 1.059 427 V CA -0.507 61.921 62.300 0.213 0.000 0.886 427 V CB 1.281 33.206 31.823 0.169 0.000 1.007 427 V HN 0.642 nan 8.190 nan 0.000 0.426 428 H N 4.025 123.153 119.070 0.095 0.000 2.519 428 H HA 0.729 5.285 4.556 -0.000 0.000 0.316 428 H C -0.802 174.563 175.328 0.062 0.000 1.065 428 H CA -0.327 55.776 56.048 0.092 0.000 1.264 428 H CB 1.539 31.328 29.762 0.045 0.000 1.413 428 H HN 0.490 nan 8.280 nan 0.000 0.465 429 L N 3.595 124.877 121.223 0.098 0.000 2.356 429 L HA 0.362 4.702 4.340 -0.000 0.000 0.277 429 L C -0.250 176.613 176.870 -0.011 0.000 0.996 429 L CA -0.575 54.266 54.840 0.001 0.000 0.822 429 L CB 1.208 43.252 42.059 -0.026 0.000 1.256 429 L HN 0.502 nan 8.230 nan 0.000 0.413 430 K N 2.700 123.060 120.400 -0.067 0.000 2.276 430 K HA 0.704 5.024 4.320 -0.000 0.000 0.259 430 K C -0.829 175.742 176.600 -0.049 0.000 1.001 430 K CA 0.262 56.526 56.287 -0.038 0.000 0.927 430 K CB 0.696 33.173 32.500 -0.039 0.000 0.969 430 K HN 0.784 nan 8.250 nan 0.000 0.490 431 A N 2.436 125.258 122.820 0.004 0.000 2.572 431 A HA 0.207 4.527 4.320 -0.000 0.000 0.303 431 A C -1.253 176.358 177.584 0.044 0.000 1.059 431 A CA -0.754 51.302 52.037 0.031 0.000 0.788 431 A CB 0.887 19.916 19.000 0.048 0.000 1.282 431 A HN 0.768 nan 8.150 nan 0.000 0.397 432 D N -0.093 120.338 120.400 0.053 0.000 2.389 432 D HA 0.374 5.014 4.640 -0.000 0.000 0.206 432 D C -0.024 176.306 176.300 0.050 0.000 1.055 432 D CA 0.891 54.921 54.000 0.050 0.000 0.856 432 D CB 1.050 41.881 40.800 0.052 0.000 0.957 432 D HN 0.363 nan 8.370 nan 0.000 0.509 433 V N 0.497 120.436 119.914 0.042 0.000 2.969 433 V HA 0.427 4.547 4.120 -0.000 0.000 0.304 433 V C -0.994 175.096 176.094 -0.006 0.000 1.192 433 V CA -0.929 61.386 62.300 0.026 0.000 0.962 433 V CB 2.812 34.625 31.823 -0.017 0.000 1.045 433 V HN -0.295 nan 8.190 nan 0.000 0.428 434 V N 4.946 124.847 119.914 -0.023 0.000 2.638 434 V HA 0.615 4.735 4.120 -0.000 0.000 0.306 434 V C -0.765 175.124 176.094 -0.342 0.000 1.052 434 V CA -0.400 61.844 62.300 -0.092 0.000 0.885 434 V CB 2.051 33.900 31.823 0.044 0.000 0.999 434 V HN 0.715 nan 8.190 nan 0.000 0.424 435 I N 3.674 124.005 120.570 -0.397 0.000 2.447 435 I HA 0.439 4.609 4.170 -0.000 0.000 0.287 435 I C 0.015 175.841 176.117 -0.485 0.000 1.023 435 I CA -0.409 60.570 61.300 -0.534 0.000 1.083 435 I CB 2.287 39.999 38.000 -0.479 0.000 1.245 435 I HN 0.669 nan 8.210 nan 0.000 0.434 436 S N 4.839 120.139 115.700 -0.667 0.000 2.438 436 S HA 0.718 5.188 4.470 -0.000 0.000 0.293 436 S C 0.037 174.386 174.600 -0.419 0.000 1.141 436 S CA -0.535 57.265 58.200 -0.667 0.000 1.080 436 S CB 1.628 64.224 63.200 -1.006 0.000 0.978 436 S HN 0.721 nan 8.310 nan 0.000 0.479 437 A N 4.285 126.993 122.820 -0.186 0.000 3.215 437 A HA 0.520 4.840 4.320 -0.000 0.000 0.320 437 A C 0.204 177.946 177.584 0.263 0.000 1.084 437 A CA -0.801 51.237 52.037 0.002 0.000 0.969 437 A CB -0.716 18.276 19.000 -0.013 0.000 1.064 437 A HN 0.946 nan 8.150 nan 0.000 0.513 438 F N 0.567 120.530 119.950 0.021 0.000 2.789 438 F HA 0.323 4.850 4.527 0.000 0.000 0.300 438 F C 1.599 177.408 175.800 0.015 0.000 1.132 438 F CA 0.474 58.493 58.000 0.031 0.000 1.404 438 F CB 0.422 39.469 39.000 0.078 0.000 1.114 438 F HN 0.636 nan 8.300 nan 0.000 0.584 439 G N 0.251 109.162 108.800 0.186 0.000 2.318 439 G HA2 0.020 3.980 3.960 -0.000 0.000 0.367 439 G HA3 0.020 3.980 3.960 -0.000 0.000 0.367 439 G C -1.267 173.684 174.900 0.084 0.000 1.260 439 G CA -0.814 44.349 45.100 0.104 0.000 1.055 439 G HN 0.046 nan 8.290 nan 0.000 0.484 440 S N -1.466 114.272 115.700 0.063 0.000 2.618 440 S HA 0.943 5.413 4.470 -0.000 0.000 0.277 440 S C -0.115 174.519 174.600 0.057 0.000 1.138 440 S CA 0.009 58.245 58.200 0.059 0.000 0.844 440 S CB 1.955 65.184 63.200 0.049 0.000 1.127 440 S HN 2.155 nan 8.310 nan 0.000 0.474 441 V N -1.114 118.837 119.914 0.062 0.000 3.156 441 V HA 0.799 4.919 4.120 -0.000 0.000 0.306 441 V C -2.051 174.085 176.094 0.071 0.000 1.468 441 V CA -1.049 61.291 62.300 0.067 0.000 1.047 441 V CB 1.682 33.548 31.823 0.072 0.000 1.078 441 V HN 0.704 nan 8.190 nan 0.000 0.468 442 L N 0.947 122.222 121.223 0.085 0.000 2.345 442 L HA 0.728 5.068 4.340 -0.000 0.000 0.274 442 L C 0.465 177.384 176.870 0.081 0.000 0.999 442 L CA 0.277 55.171 54.840 0.090 0.000 0.849 442 L CB 1.038 43.173 42.059 0.127 0.000 1.220 442 L HN 0.778 nan 8.230 nan 0.000 0.422 443 R N 0.989 121.523 120.500 0.057 0.000 2.302 443 R HA 0.188 4.528 4.340 -0.000 0.000 0.187 443 R C -0.225 176.086 176.300 0.019 0.000 0.904 443 R CA -0.424 55.698 56.100 0.037 0.000 1.105 443 R CB 0.168 30.492 30.300 0.039 0.000 1.239 443 R HN 0.605 nan 8.270 nan 0.000 0.620 444 D N 3.943 124.357 120.400 0.024 0.000 3.304 444 D HA -0.071 4.569 4.640 -0.000 0.000 0.241 444 D C -1.408 174.891 176.300 -0.001 0.000 1.310 444 D CA -0.463 53.545 54.000 0.013 0.000 0.884 444 D CB 1.010 41.822 40.800 0.020 0.000 1.167 444 D HN 0.105 nan 8.370 nan 0.000 0.598 445 P HA -0.159 nan 4.420 nan 0.000 0.222 445 P C 0.975 178.258 177.300 -0.028 0.000 1.147 445 P CA 0.916 63.995 63.100 -0.034 0.000 0.790 445 P CB 0.339 32.018 31.700 -0.034 0.000 0.780 446 K N -0.315 120.078 120.400 -0.012 0.000 2.097 446 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 446 K C 2.101 178.700 176.600 -0.003 0.000 1.050 446 K CA 1.074 57.357 56.287 -0.008 0.000 0.938 446 K CB -0.429 32.070 32.500 -0.002 0.000 0.718 446 K HN 0.048 nan 8.250 nan 0.000 0.442 447 V N 1.658 121.574 119.914 0.005 0.000 2.273 447 V HA -0.193 3.927 4.120 -0.000 0.000 0.242 447 V C 1.906 178.014 176.094 0.024 0.000 1.035 447 V CA 1.512 63.823 62.300 0.019 0.000 1.013 447 V CB -0.411 31.431 31.823 0.031 0.000 0.652 447 V HN 0.231 nan 8.190 nan 0.000 0.452 448 K N 0.056 120.460 120.400 0.007 0.000 2.228 448 K HA -0.306 4.014 4.320 -0.000 0.000 0.205 448 K C 2.102 178.660 176.600 -0.071 0.000 1.045 448 K CA 2.054 58.314 56.287 -0.044 0.000 0.931 448 K CB -0.133 32.257 32.500 -0.183 0.000 0.727 448 K HN 0.521 nan 8.250 nan 0.000 0.458 449 E N 0.893 121.066 120.200 -0.046 0.000 2.051 449 E HA -0.058 4.292 4.350 -0.000 0.000 0.189 449 E C 1.726 178.329 176.600 0.006 0.000 0.979 449 E CA 1.125 57.504 56.400 -0.034 0.000 0.803 449 E CB -0.138 29.546 29.700 -0.028 0.000 0.761 449 E HN 0.244 nan 8.360 nan 0.000 0.451 450 A N 0.392 123.221 122.820 0.016 0.000 2.194 450 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 450 A C 1.879 179.488 177.584 0.041 0.000 1.162 450 A CA 1.075 53.128 52.037 0.027 0.000 0.674 450 A CB -0.582 18.429 19.000 0.018 0.000 0.789 450 A HN 0.377 nan 8.150 nan 0.000 0.470 451 L N -0.918 120.341 121.223 0.060 0.000 2.607 451 L HA 0.112 4.452 4.340 -0.000 0.000 0.228 451 L C 1.198 178.124 176.870 0.094 0.000 1.123 451 L CA -0.230 54.660 54.840 0.082 0.000 0.890 451 L CB 0.059 42.226 42.059 0.180 0.000 1.103 451 L HN 0.300 nan 8.230 nan 0.000 0.468 452 S N 1.618 117.362 115.700 0.072 0.000 2.558 452 S HA 0.077 4.547 4.470 -0.000 0.000 0.288 452 S C -1.691 172.961 174.600 0.086 0.000 1.318 452 S CA -0.742 57.498 58.200 0.066 0.000 1.056 452 S CB 0.560 63.781 63.200 0.036 0.000 0.853 452 S HN 0.077 nan 8.310 nan 0.000 0.505 453 P HA 0.248 nan 4.420 nan 0.000 0.250 453 P C 0.083 177.425 177.300 0.070 0.000 1.808 453 P CA -0.335 62.806 63.100 0.068 0.000 1.117 453 P CB -0.674 31.062 31.700 0.060 0.000 1.602 454 I N -2.458 118.159 120.570 0.078 0.000 2.692 454 I HA 0.229 4.399 4.170 -0.000 0.000 0.284 454 I C 0.307 176.511 176.117 0.145 0.000 1.159 454 I CA -0.503 60.822 61.300 0.042 0.000 1.423 454 I CB 0.588 38.559 38.000 -0.048 0.000 1.380 454 I HN -0.154 nan 8.210 nan 0.000 0.580 455 K N 4.873 125.308 120.400 0.058 0.000 2.298 455 K HA 0.328 4.648 4.320 -0.000 0.000 0.280 455 K C -1.376 175.298 176.600 0.123 0.000 1.032 455 K CA -0.364 55.983 56.287 0.100 0.000 0.958 455 K CB 0.582 33.084 32.500 0.003 0.000 0.978 455 K HN 0.499 nan 8.250 nan 0.000 0.472 456 F N 3.115 123.022 119.950 -0.072 0.000 2.450 456 F HA 0.223 4.750 4.527 0.000 0.000 0.332 456 F C 0.678 176.420 175.800 -0.096 0.000 1.093 456 F CA -0.798 57.159 58.000 -0.072 0.000 1.003 456 F CB 1.222 40.197 39.000 -0.041 0.000 1.151 456 F HN 0.678 nan 8.300 nan 0.000 0.474 457 N N 1.611 120.300 118.700 -0.018 0.000 2.381 457 N HA 0.193 4.933 4.740 -0.000 0.000 0.289 457 N C 0.762 176.229 175.510 -0.072 0.000 1.288 457 N CA -0.523 52.436 53.050 -0.150 0.000 0.960 457 N CB 0.167 38.406 38.487 -0.413 0.000 1.116 457 N HN 0.595 nan 8.380 nan 0.000 0.557 458 R N -2.055 118.339 120.500 -0.177 0.000 2.280 458 R HA 0.064 4.404 4.340 -0.000 0.000 0.207 458 R C 0.094 176.499 176.300 0.175 0.000 1.043 458 R CA 0.587 56.676 56.100 -0.017 0.000 1.006 458 R CB -0.284 30.006 30.300 -0.017 0.000 0.885 458 R HN 0.517 nan 8.270 nan 0.000 0.467 459 W N 1.734 123.063 121.300 0.049 0.000 3.345 459 W HA 0.175 4.835 4.660 -0.000 0.000 0.282 459 W C -0.114 176.455 176.519 0.083 0.000 1.302 459 W CA -0.877 56.497 57.345 0.048 0.000 1.724 459 W CB -0.665 28.811 29.460 0.027 0.000 1.104 459 W HN 0.193 nan 8.180 nan 0.000 0.694 460 D N 0.368 120.951 120.400 0.305 0.000 2.772 460 D HA -0.185 4.455 4.640 -0.000 0.000 0.233 460 D C -0.554 176.036 176.300 0.483 0.000 1.143 460 D CA 0.821 55.020 54.000 0.331 0.000 0.700 460 D CB -1.293 39.630 40.800 0.205 0.000 1.076 460 D HN 0.095 nan 8.370 nan 0.000 0.430 461 L N -0.407 121.026 121.223 0.350 0.000 2.388 461 L HA 0.571 4.911 4.340 -0.000 0.000 0.264 461 L C -1.991 174.562 176.870 -0.527 0.000 0.998 461 L CA -2.137 52.737 54.840 0.056 0.000 0.817 461 L CB 2.220 44.354 42.059 0.125 0.000 1.338 461 L HN -0.207 nan 8.230 nan 0.000 0.414 462 P HA -0.060 nan 4.420 nan 0.000 0.265 462 P C -0.965 176.025 177.300 -0.516 0.000 1.187 462 P CA 0.091 62.524 63.100 -1.111 0.000 0.766 462 P CB 0.735 31.954 31.700 -0.801 0.000 0.820 463 E N 2.623 122.576 120.200 -0.412 0.000 2.197 463 E HA 0.428 4.778 4.350 -0.000 0.000 0.281 463 E C -0.829 175.629 176.600 -0.236 0.000 0.995 463 E CA -0.794 55.441 56.400 -0.274 0.000 0.808 463 E CB 0.751 30.315 29.700 -0.227 0.000 1.093 463 E HN 0.313 nan 8.360 nan 0.000 0.394 464 V N 1.132 120.934 119.914 -0.187 0.000 3.007 464 V HA 0.508 4.628 4.120 -0.000 0.000 0.311 464 V C -0.471 175.551 176.094 -0.121 0.000 1.120 464 V CA -1.236 60.970 62.300 -0.158 0.000 0.980 464 V CB 1.879 33.634 31.823 -0.113 0.000 1.033 464 V HN 0.705 nan 8.190 nan 0.000 0.429 465 D N 4.604 124.933 120.400 -0.119 0.000 2.358 465 D HA 0.231 4.871 4.640 -0.000 0.000 0.258 465 D C -1.104 175.159 176.300 -0.062 0.000 1.223 465 D CA -1.607 52.333 54.000 -0.100 0.000 0.886 465 D CB 1.943 42.669 40.800 -0.122 0.000 1.120 465 D HN 0.513 nan 8.370 nan 0.000 0.482 466 P HA -0.210 nan 4.420 nan 0.000 0.219 466 P C 0.859 178.161 177.300 0.002 0.000 1.144 466 P CA 1.178 64.274 63.100 -0.007 0.000 0.806 466 P CB 0.538 32.237 31.700 -0.001 0.000 0.771 467 E N 0.278 120.456 120.200 -0.036 0.000 2.201 467 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 467 E C 1.861 178.381 176.600 -0.133 0.000 0.957 467 E CA 1.450 57.823 56.400 -0.044 0.000 0.858 467 E CB -0.676 28.982 29.700 -0.071 0.000 0.816 467 E HN 0.222 nan 8.360 nan 0.000 0.475 468 T N -2.361 112.047 114.554 -0.243 0.000 3.022 468 T HA 0.162 4.512 4.350 -0.000 0.000 0.250 468 T C 0.815 175.617 174.700 0.170 0.000 1.060 468 T CA 0.351 62.243 62.100 -0.347 0.000 1.013 468 T CB 0.165 68.772 68.868 -0.434 0.000 0.982 468 T HN 0.094 nan 8.240 nan 0.000 0.508 469 M N -0.125 119.554 119.600 0.132 0.000 2.908 469 M HA -0.168 4.312 4.480 -0.000 0.000 0.191 469 M C 0.074 176.515 176.300 0.235 0.000 0.619 469 M CA 0.562 56.000 55.300 0.230 0.000 0.709 469 M CB -2.830 29.987 32.600 0.362 0.000 2.554 469 M HN 0.688 nan 8.290 nan 0.000 0.356 470 Q N 1.784 121.566 119.800 -0.030 0.000 2.279 470 Q HA 0.444 4.784 4.340 -0.000 0.000 0.256 470 Q C 0.761 176.503 176.000 -0.431 0.000 0.937 470 Q CA 0.301 55.738 55.803 -0.610 0.000 0.933 470 Q CB 1.237 29.602 28.738 -0.622 0.000 1.189 470 Q HN 0.440 nan 8.270 nan 0.000 0.417 471 T N -0.173 114.084 114.554 -0.494 0.000 2.771 471 T HA 0.129 4.479 4.350 -0.000 0.000 0.290 471 T C 1.347 175.866 174.700 -0.302 0.000 1.005 471 T CA -0.036 61.857 62.100 -0.345 0.000 0.944 471 T CB 0.702 69.366 68.868 -0.341 0.000 1.147 471 T HN 0.721 nan 8.240 nan 0.000 0.534 472 S N -0.555 115.017 115.700 -0.212 0.000 2.440 472 S HA -0.081 4.389 4.470 -0.000 0.000 0.238 472 S C 0.528 175.049 174.600 -0.131 0.000 1.010 472 S CA 0.603 58.717 58.200 -0.145 0.000 0.972 472 S CB -0.565 62.583 63.200 -0.086 0.000 0.774 472 S HN 0.731 nan 8.310 nan 0.000 0.501 473 E N 1.998 122.092 120.200 -0.177 0.000 2.081 473 E HA 0.291 4.641 4.350 -0.000 0.000 0.276 473 E C -2.084 174.368 176.600 -0.246 0.000 0.950 473 E CA -2.571 53.766 56.400 -0.104 0.000 0.776 473 E CB 1.386 31.058 29.700 -0.046 0.000 1.094 473 E HN 0.107 nan 8.360 nan 0.000 0.402 474 P HA -0.192 nan 4.420 nan 0.000 0.219 474 P C 1.056 177.884 177.300 -0.787 0.000 1.151 474 P CA 1.392 64.272 63.100 -0.366 0.000 0.850 474 P CB -0.001 31.669 31.700 -0.050 0.000 0.784 475 W N -1.753 119.177 121.300 -0.616 0.000 3.290 475 W HA 0.336 4.996 4.660 -0.000 0.000 0.287 475 W C -0.948 175.490 176.519 -0.134 0.000 1.288 475 W CA 0.092 57.169 57.345 -0.447 0.000 1.725 475 W CB -0.671 28.808 29.460 0.033 0.000 1.103 475 W HN -0.299 nan 8.180 nan 0.000 0.670 476 V N 2.618 122.057 119.914 -0.792 0.000 2.487 476 V HA 0.443 4.563 4.120 -0.000 0.000 0.298 476 V C -0.988 174.756 176.094 -0.583 0.000 1.028 476 V CA -0.476 61.400 62.300 -0.707 0.000 0.860 476 V CB 1.069 32.353 31.823 -0.898 0.000 0.991 476 V HN -0.175 nan 8.190 nan 0.000 0.427 477 F N 2.174 121.980 119.950 -0.240 0.000 2.579 477 F HA 0.925 5.452 4.527 -0.000 0.000 0.324 477 F C 0.406 176.047 175.800 -0.264 0.000 1.058 477 F CA -0.657 57.273 58.000 -0.118 0.000 0.944 477 F CB 2.128 41.199 39.000 0.118 0.000 1.245 477 F HN 0.607 nan 8.300 nan 0.000 0.477 478 A N 0.297 123.062 122.820 -0.092 0.000 2.485 478 A HA 1.004 5.324 4.320 -0.000 0.000 0.292 478 A C -0.646 176.807 177.584 -0.217 0.000 1.147 478 A CA -0.341 51.433 52.037 -0.439 0.000 0.750 478 A CB 1.807 20.614 19.000 -0.321 0.000 1.331 478 A HN 1.311 nan 8.150 nan 0.000 0.419 479 G N -1.788 106.839 108.800 -0.289 0.000 2.519 479 G HA2 0.762 4.722 3.960 -0.000 0.000 0.292 479 G HA3 0.762 4.722 3.960 -0.000 0.000 0.292 479 G C 0.096 175.056 174.900 0.101 0.000 1.507 479 G CA 0.812 45.981 45.100 0.115 0.000 0.806 479 G HN 2.653 nan 8.290 nan 0.000 0.523 480 G N 0.486 109.360 108.800 0.123 0.000 2.508 480 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.220 480 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.220 480 G C 0.537 175.467 174.900 0.049 0.000 1.287 480 G CA 0.850 46.005 45.100 0.091 0.000 0.916 480 G HN 0.906 nan 8.290 nan 0.000 0.574 481 D N -0.395 120.028 120.400 0.039 0.000 2.123 481 D HA -0.053 4.587 4.640 -0.000 0.000 0.196 481 D C 2.448 178.761 176.300 0.021 0.000 0.992 481 D CA 1.392 55.409 54.000 0.028 0.000 0.833 481 D CB -0.152 40.665 40.800 0.029 0.000 0.954 481 D HN 0.478 nan 8.370 nan 0.000 0.455 482 I N 0.203 120.774 120.570 0.002 0.000 2.381 482 I HA -0.226 3.944 4.170 -0.000 0.000 0.255 482 I C 1.800 177.905 176.117 -0.021 0.000 1.140 482 I CA 1.101 62.390 61.300 -0.019 0.000 1.404 482 I CB 0.027 37.983 38.000 -0.073 0.000 1.075 482 I HN -0.123 nan 8.210 nan 0.000 0.433 483 V N 0.604 120.514 119.914 -0.008 0.000 3.052 483 V HA 0.204 4.324 4.120 -0.000 0.000 0.254 483 V C 1.900 178.071 176.094 0.128 0.000 1.100 483 V CA 0.995 63.308 62.300 0.022 0.000 1.112 483 V CB -0.733 31.099 31.823 0.015 0.000 0.738 483 V HN 0.700 nan 8.190 nan 0.000 0.469 484 G N -0.416 108.439 108.800 0.093 0.000 2.179 484 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.260 484 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.260 484 G C 0.707 175.626 174.900 0.033 0.000 0.977 484 G CA 0.854 45.998 45.100 0.072 0.000 0.641 484 G HN 0.404 nan 8.290 nan 0.000 0.533 485 M N 0.094 119.741 119.600 0.078 0.000 2.556 485 M HA 0.402 4.882 4.480 -0.000 0.000 0.264 485 M C 1.792 178.107 176.300 0.025 0.000 1.163 485 M CA 1.069 56.406 55.300 0.061 0.000 1.186 485 M CB 0.217 32.878 32.600 0.102 0.000 1.321 485 M HN 0.460 nan 8.290 nan 0.000 0.485 486 A N 1.534 124.374 122.820 0.033 0.000 2.477 486 A HA 0.161 4.481 4.320 -0.000 0.000 0.246 486 A C 0.330 177.918 177.584 0.008 0.000 1.078 486 A CA -0.104 51.947 52.037 0.024 0.000 0.770 486 A CB 0.007 19.028 19.000 0.035 0.000 1.011 486 A HN 0.494 nan 8.150 nan 0.000 0.494 487 N N 0.194 118.895 118.700 0.002 0.000 2.171 487 N HA 0.071 4.811 4.740 -0.000 0.000 0.212 487 N C -0.116 175.394 175.510 -0.001 0.000 1.184 487 N CA 0.825 53.871 53.050 -0.005 0.000 0.888 487 N CB 0.934 39.412 38.487 -0.015 0.000 1.038 487 N HN 0.839 nan 8.380 nan 0.000 0.517 488 T N -3.823 110.733 114.554 0.003 0.000 2.865 488 T HA 0.331 4.681 4.350 -0.000 0.000 0.294 488 T C 1.015 175.717 174.700 0.004 0.000 1.119 488 T CA -0.447 61.654 62.100 0.001 0.000 1.007 488 T CB 1.957 70.823 68.868 -0.004 0.000 1.225 488 T HN -0.286 nan 8.240 nan 0.000 0.515 489 T N 0.569 115.121 114.554 -0.003 0.000 2.737 489 T HA -0.081 4.269 4.350 -0.000 0.000 0.265 489 T C 2.056 176.751 174.700 -0.009 0.000 1.038 489 T CA 1.364 63.461 62.100 -0.005 0.000 1.144 489 T CB -0.339 68.517 68.868 -0.018 0.000 0.866 489 T HN 0.504 nan 8.240 nan 0.000 0.434 490 V N 1.466 121.369 119.914 -0.019 0.000 2.469 490 V HA -0.198 3.922 4.120 -0.000 0.000 0.251 490 V C 2.249 178.339 176.094 -0.006 0.000 1.064 490 V CA 1.963 64.249 62.300 -0.023 0.000 1.066 490 V CB -0.394 31.413 31.823 -0.026 0.000 0.667 490 V HN 0.552 nan 8.190 nan 0.000 0.461 491 E N -0.506 119.696 120.200 0.004 0.000 2.158 491 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 491 E C 2.325 178.943 176.600 0.030 0.000 0.982 491 E CA 1.275 57.684 56.400 0.016 0.000 0.823 491 E CB -0.081 29.629 29.700 0.017 0.000 0.766 491 E HN 0.630 nan 8.360 nan 0.000 0.468 492 S N 0.480 116.201 115.700 0.035 0.000 2.406 492 S HA -0.076 4.394 4.470 -0.000 0.000 0.228 492 S C 2.195 176.832 174.600 0.061 0.000 1.020 492 S CA 0.434 58.670 58.200 0.061 0.000 0.965 492 S CB 0.030 63.266 63.200 0.059 0.000 0.798 492 S HN 0.034 nan 8.310 nan 0.000 0.488 493 V N 2.951 122.884 119.914 0.031 0.000 2.295 493 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 493 V C 2.372 178.476 176.094 0.017 0.000 1.049 493 V CA 2.027 64.342 62.300 0.025 0.000 1.024 493 V CB -0.883 30.939 31.823 -0.002 0.000 0.648 493 V HN 0.490 nan 8.190 nan 0.000 0.447 494 N N 0.278 118.979 118.700 0.003 0.000 2.166 494 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 494 N C 1.490 176.988 175.510 -0.019 0.000 1.019 494 N CA 1.664 54.698 53.050 -0.026 0.000 0.856 494 N CB -0.227 38.253 38.487 -0.011 0.000 0.993 494 N HN 0.431 nan 8.380 nan 0.000 0.426 495 D N -0.634 119.788 120.400 0.037 0.000 2.084 495 D HA -0.059 4.581 4.640 -0.000 0.000 0.194 495 D C 1.897 178.235 176.300 0.064 0.000 0.990 495 D CA 1.451 55.505 54.000 0.091 0.000 0.826 495 D CB -0.941 39.953 40.800 0.156 0.000 0.971 495 D HN 0.446 nan 8.370 nan 0.000 0.453 496 G N 0.976 109.785 108.800 0.015 0.000 2.476 496 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 496 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 496 G C 1.557 176.305 174.900 -0.254 0.000 1.164 496 G CA 1.195 46.142 45.100 -0.254 0.000 0.768 496 G HN 0.280 nan 8.290 nan 0.000 0.560 497 K N -0.231 120.055 120.400 -0.190 0.000 1.991 497 K HA -0.207 4.113 4.320 -0.000 0.000 0.212 497 K C 2.583 178.982 176.600 -0.335 0.000 1.049 497 K CA 1.893 57.910 56.287 -0.450 0.000 0.932 497 K CB -0.246 31.915 32.500 -0.565 0.000 0.717 497 K HN 0.296 nan 8.250 nan 0.000 0.441 498 Q N 0.459 120.163 119.800 -0.160 0.000 2.045 498 Q HA -0.169 4.171 4.340 -0.000 0.000 0.206 498 Q C 1.801 177.863 176.000 0.103 0.000 0.991 498 Q CA 2.432 58.231 55.803 -0.006 0.000 0.851 498 Q CB -0.542 28.242 28.738 0.075 0.000 0.911 498 Q HN 0.440 nan 8.270 nan 0.000 0.418 499 A N -0.122 122.734 122.820 0.061 0.000 1.940 499 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 499 A C 2.256 179.737 177.584 -0.171 0.000 1.176 499 A CA 2.241 54.303 52.037 0.042 0.000 0.631 499 A CB -1.254 17.808 19.000 0.104 0.000 0.814 499 A HN 0.651 nan 8.150 nan 0.000 0.446 500 S N -0.857 114.715 115.700 -0.212 0.000 2.380 500 S HA -0.321 4.149 4.470 -0.000 0.000 0.229 500 S C 1.940 176.477 174.600 -0.105 0.000 1.050 500 S CA 1.634 59.718 58.200 -0.193 0.000 1.100 500 S CB -1.308 61.832 63.200 -0.101 0.000 0.984 500 S HN 0.770 nan 8.310 nan 0.000 0.434 501 W N 1.467 122.615 121.300 -0.254 0.000 2.315 501 W HA -0.284 4.376 4.660 0.000 0.000 0.323 501 W C 2.083 178.470 176.519 -0.220 0.000 1.233 501 W CA 1.798 58.985 57.345 -0.264 0.000 1.267 501 W CB -0.658 28.511 29.460 -0.485 0.000 1.160 501 W HN 0.447 nan 8.180 nan 0.000 0.474 502 Y N 0.363 120.614 120.300 -0.082 0.000 2.274 502 Y HA -0.219 4.331 4.550 -0.000 0.000 0.290 502 Y C 2.653 178.378 175.900 -0.291 0.000 1.145 502 Y CA 1.492 59.495 58.100 -0.161 0.000 1.203 502 Y CB -0.752 37.779 38.460 0.118 0.000 0.984 502 Y HN -0.106 nan 8.280 nan 0.000 0.533 503 I N -0.683 119.588 120.570 -0.498 0.000 2.226 503 I HA -0.347 3.823 4.170 -0.000 0.000 0.245 503 I C 2.504 178.509 176.117 -0.187 0.000 1.100 503 I CA 1.679 62.630 61.300 -0.583 0.000 1.374 503 I CB -0.360 37.260 38.000 -0.634 0.000 1.057 503 I HN 0.323 nan 8.210 nan 0.000 0.413 504 H N 1.598 120.439 119.070 -0.382 0.000 2.267 504 H HA -0.247 4.309 4.556 -0.000 0.000 0.297 504 H C 2.245 177.391 175.328 -0.304 0.000 1.080 504 H CA 2.269 58.099 56.048 -0.363 0.000 1.278 504 H CB -0.196 29.319 29.762 -0.412 0.000 1.365 504 H HN 0.082 nan 8.280 nan 0.000 0.489 505 K N -1.087 118.947 120.400 -0.611 0.000 2.034 505 K HA -0.285 4.035 4.320 -0.000 0.000 0.214 505 K C 2.285 178.785 176.600 -0.166 0.000 1.051 505 K CA 1.930 57.915 56.287 -0.503 0.000 0.931 505 K CB -0.579 31.723 32.500 -0.331 0.000 0.715 505 K HN 0.391 nan 8.250 nan 0.000 0.446 506 Y N 1.383 121.641 120.300 -0.070 0.000 2.049 506 Y HA -0.236 4.314 4.550 -0.000 0.000 0.277 506 Y C 1.951 177.882 175.900 0.050 0.000 1.143 506 Y CA 1.966 60.108 58.100 0.070 0.000 1.115 506 Y CB -0.413 38.203 38.460 0.259 0.000 0.975 506 Y HN 0.047 nan 8.280 nan 0.000 0.487 507 I N 0.236 120.832 120.570 0.042 0.000 2.185 507 I HA -0.421 3.749 4.170 -0.000 0.000 0.246 507 I C 2.477 178.555 176.117 -0.065 0.000 1.088 507 I CA 1.547 62.845 61.300 -0.004 0.000 1.347 507 I CB -0.534 37.532 38.000 0.111 0.000 1.041 507 I HN 0.420 nan 8.210 nan 0.000 0.415 508 Q N 0.486 120.175 119.800 -0.184 0.000 2.030 508 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 508 Q C 2.475 178.410 176.000 -0.108 0.000 0.986 508 Q CA 2.004 57.676 55.803 -0.218 0.000 0.843 508 Q CB -0.680 27.832 28.738 -0.377 0.000 0.904 508 Q HN 0.593 nan 8.270 nan 0.000 0.420 509 A N 1.500 124.230 122.820 -0.149 0.000 1.884 509 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 509 A C 2.026 179.535 177.584 -0.124 0.000 1.197 509 A CA 1.745 53.711 52.037 -0.118 0.000 0.637 509 A CB -0.622 18.311 19.000 -0.111 0.000 0.827 509 A HN 0.315 nan 8.150 nan 0.000 0.450 510 Q N -1.729 117.941 119.800 -0.217 0.000 2.376 510 Q HA -0.178 4.162 4.340 -0.000 0.000 0.211 510 Q C 0.557 176.445 176.000 -0.186 0.000 0.986 510 Q CA 1.295 56.962 55.803 -0.227 0.000 0.886 510 Q CB -0.336 28.225 28.738 -0.294 0.000 0.927 510 Q HN 0.889 nan 8.270 nan 0.000 0.457 511 Y N -0.910 119.300 120.300 -0.151 0.000 2.607 511 Y HA 0.314 4.864 4.550 -0.000 0.000 0.266 511 Y C 1.305 177.154 175.900 -0.085 0.000 1.178 511 Y CA 0.098 58.136 58.100 -0.104 0.000 1.226 511 Y CB 0.588 38.986 38.460 -0.104 0.000 1.144 511 Y HN 0.175 nan 8.280 nan 0.000 0.528 512 G N 0.486 109.289 108.800 0.005 0.000 2.179 512 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.257 512 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.257 512 G C 0.119 175.021 174.900 0.003 0.000 1.010 512 G CA 0.245 45.340 45.100 -0.008 0.000 0.736 512 G HN 0.649 nan 8.290 nan 0.000 0.513 513 A N -0.543 122.275 122.820 -0.005 0.000 2.355 513 A HA 0.959 5.279 4.320 -0.000 0.000 0.324 513 A C 0.332 177.885 177.584 -0.052 0.000 1.117 513 A CA 0.545 52.570 52.037 -0.021 0.000 0.785 513 A CB 1.539 20.520 19.000 -0.031 0.000 1.254 513 A HN 1.830 nan 8.150 nan 0.000 0.453 514 S N 0.111 115.792 115.700 -0.033 0.000 2.681 514 S HA 0.820 5.290 4.470 -0.000 0.000 0.299 514 S C -0.057 174.521 174.600 -0.037 0.000 1.113 514 S CA -0.044 58.135 58.200 -0.035 0.000 1.013 514 S CB 1.180 64.383 63.200 0.006 0.000 1.076 514 S HN 1.960 nan 8.310 nan 0.000 0.534 515 V N -0.942 118.949 119.914 -0.039 0.000 2.960 515 V HA 0.818 4.938 4.120 -0.000 0.000 0.315 515 V C 0.233 176.422 176.094 0.160 0.000 1.087 515 V CA -0.832 61.479 62.300 0.019 0.000 0.982 515 V CB 1.015 32.719 31.823 -0.199 0.000 1.039 515 V HN 1.235 nan 8.190 nan 0.000 0.437 516 S N 1.759 117.622 115.700 0.271 0.000 2.550 516 S HA 0.282 4.752 4.470 -0.000 0.000 0.285 516 S C 1.328 176.094 174.600 0.277 0.000 1.326 516 S CA 0.186 58.538 58.200 0.253 0.000 1.037 516 S CB 0.571 63.925 63.200 0.257 0.000 0.838 516 S HN 1.893 nan 8.310 nan 0.000 0.519 517 A N 1.615 124.544 122.820 0.181 0.000 1.897 517 A HA 0.046 4.366 4.320 -0.000 0.000 0.215 517 A C 1.185 178.858 177.584 0.150 0.000 1.181 517 A CA 1.104 53.239 52.037 0.163 0.000 0.620 517 A CB -0.344 18.720 19.000 0.107 0.000 0.821 517 A HN 0.826 nan 8.150 nan 0.000 0.443 518 K N 1.012 121.462 120.400 0.083 0.000 2.248 518 K HA 0.347 4.668 4.320 -0.000 0.000 0.281 518 K C -2.847 173.643 176.600 -0.184 0.000 1.054 518 K CA -2.361 53.909 56.287 -0.029 0.000 0.903 518 K CB 0.695 33.176 32.500 -0.031 0.000 1.077 518 K HN -0.033 nan 8.250 nan 0.000 0.474 519 P HA -0.103 nan 4.420 nan 0.000 0.260 519 P C -1.234 175.511 177.300 -0.926 0.000 1.172 519 P CA 0.689 62.981 63.100 -1.347 0.000 0.760 519 P CB 0.322 31.284 31.700 -1.231 0.000 0.773 520 E N 3.042 122.632 120.200 -1.017 0.000 3.568 520 E HA 0.185 4.535 4.350 -0.000 0.000 0.213 520 E C -0.362 176.174 176.600 -0.106 0.000 1.197 520 E CA -0.335 55.881 56.400 -0.307 0.000 1.126 520 E CB 0.277 29.969 29.700 -0.012 0.000 1.285 520 E HN 0.391 nan 8.360 nan 0.000 0.418 521 L N 2.472 123.596 121.223 -0.165 0.000 2.410 521 L HA 0.239 4.579 4.340 -0.000 0.000 0.273 521 L C -1.892 175.066 176.870 0.147 0.000 1.152 521 L CA -1.707 53.176 54.840 0.071 0.000 0.855 521 L CB -0.022 42.038 42.059 0.001 0.000 1.129 521 L HN 0.047 nan 8.230 nan 0.000 0.463 522 P HA 0.108 nan 4.420 nan 0.000 0.269 522 P C -0.220 177.221 177.300 0.234 0.000 1.217 522 P CA -0.231 63.005 63.100 0.227 0.000 0.783 522 P CB 0.590 32.418 31.700 0.212 0.000 0.898 523 L N 0.633 121.985 121.223 0.215 0.000 2.543 523 L HA 0.376 4.716 4.340 -0.000 0.000 0.231 523 L C 0.580 177.444 176.870 -0.010 0.000 1.194 523 L CA -0.680 54.174 54.840 0.024 0.000 0.823 523 L CB 0.025 41.952 42.059 -0.221 0.000 1.374 523 L HN 0.293 nan 8.230 nan 0.000 0.507 524 F N 0.078 119.846 119.950 -0.303 0.000 2.404 524 F HA 0.422 4.949 4.527 -0.000 0.000 0.345 524 F C -0.868 174.696 175.800 -0.393 0.000 1.110 524 F CA -0.372 57.497 58.000 -0.218 0.000 1.130 524 F CB 0.465 39.370 39.000 -0.158 0.000 1.129 524 F HN 0.036 nan 8.300 nan 0.000 0.500 525 Y N 2.469 122.392 120.300 -0.628 0.000 2.499 525 Y HA 0.598 5.148 4.550 -0.000 0.000 0.347 525 Y C 0.115 175.715 175.900 -0.500 0.000 0.987 525 Y CA -0.782 57.074 58.100 -0.407 0.000 1.044 525 Y CB 2.295 40.631 38.460 -0.207 0.000 1.245 525 Y HN 0.679 nan 8.280 nan 0.000 0.461 526 T N -1.928 112.598 114.554 -0.046 0.000 2.864 526 T HA 0.380 4.730 4.350 -0.000 0.000 0.299 526 T C -2.653 172.027 174.700 -0.033 0.000 1.166 526 T CA -2.476 59.598 62.100 -0.044 0.000 1.007 526 T CB 2.098 71.021 68.868 0.092 0.000 1.219 526 T HN 0.179 nan 8.240 nan 0.000 0.506 527 P HA -0.093 nan 4.420 nan 0.000 0.218 527 P C 1.685 178.899 177.300 -0.143 0.000 1.146 527 P CA 0.629 63.693 63.100 -0.060 0.000 0.813 527 P CB -0.143 31.569 31.700 0.021 0.000 0.778 528 V N 0.293 119.942 119.914 -0.443 0.000 2.469 528 V HA -0.232 3.888 4.120 -0.000 0.000 0.251 528 V C 1.655 177.688 176.094 -0.103 0.000 1.064 528 V CA 1.969 63.967 62.300 -0.505 0.000 1.066 528 V CB -1.206 30.008 31.823 -1.015 0.000 0.667 528 V HN 0.179 nan 8.190 nan 0.000 0.461 529 D N -0.061 120.358 120.400 0.032 0.000 2.378 529 D HA -0.029 4.611 4.640 -0.000 0.000 0.222 529 D C 1.871 178.236 176.300 0.107 0.000 0.980 529 D CA 0.799 54.882 54.000 0.139 0.000 0.907 529 D CB 0.102 41.042 40.800 0.233 0.000 0.899 529 D HN 0.399 nan 8.370 nan 0.000 0.527 530 L N 0.309 121.575 121.223 0.073 0.000 2.477 530 L HA 0.053 4.393 4.340 -0.000 0.000 0.220 530 L C 0.650 177.567 176.870 0.078 0.000 1.106 530 L CA -0.036 54.844 54.840 0.067 0.000 0.851 530 L CB 0.172 42.263 42.059 0.053 0.000 0.994 530 L HN -0.210 nan 8.230 nan 0.000 0.462 531 V N 1.357 121.327 119.914 0.094 0.000 2.752 531 V HA -0.180 3.940 4.120 -0.000 0.000 0.306 531 V C 0.392 176.538 176.094 0.087 0.000 1.099 531 V CA 0.572 62.933 62.300 0.102 0.000 1.240 531 V CB 0.235 32.129 31.823 0.119 0.000 0.887 531 V HN 0.195 nan 8.190 nan 0.000 0.499 532 D N 4.986 125.430 120.400 0.074 0.000 2.317 532 D HA 0.278 4.918 4.640 -0.000 0.000 0.234 532 D C 0.399 176.741 176.300 0.071 0.000 1.112 532 D CA -0.450 53.591 54.000 0.068 0.000 0.840 532 D CB 1.185 42.017 40.800 0.053 0.000 1.078 532 D HN 0.596 nan 8.370 nan 0.000 0.486 533 I N 1.191 121.812 120.570 0.084 0.000 3.736 533 I HA 0.213 4.383 4.170 -0.000 0.000 0.338 533 I C 0.238 176.403 176.117 0.079 0.000 1.558 533 I CA -0.732 60.618 61.300 0.083 0.000 1.147 533 I CB 0.123 38.193 38.000 0.117 0.000 1.275 533 I HN 0.038 nan 8.210 nan 0.000 0.454 534 S N 0.650 116.396 115.700 0.076 0.000 2.672 534 S HA 0.769 5.239 4.470 -0.000 0.000 0.276 534 S C -0.384 174.260 174.600 0.073 0.000 1.207 534 S CA -0.595 57.660 58.200 0.092 0.000 1.002 534 S CB 2.634 65.886 63.200 0.086 0.000 0.998 534 S HN 0.260 nan 8.310 nan 0.000 0.542 535 V N 0.484 120.461 119.914 0.106 0.000 3.000 535 V HA 0.453 4.573 4.120 -0.000 0.000 0.300 535 V C -1.656 174.528 176.094 0.150 0.000 1.251 535 V CA -0.640 61.703 62.300 0.071 0.000 0.972 535 V CB 2.165 33.974 31.823 -0.024 0.000 1.065 535 V HN 1.077 nan 8.190 nan 0.000 0.431 536 E N 5.672 125.931 120.200 0.098 0.000 2.175 536 E HA 0.571 4.921 4.350 -0.000 0.000 0.278 536 E C -0.813 175.842 176.600 0.092 0.000 0.969 536 E CA -0.550 55.926 56.400 0.128 0.000 0.796 536 E CB 2.114 31.858 29.700 0.072 0.000 1.104 536 E HN 0.632 nan 8.360 nan 0.000 0.395 537 M N 1.821 121.517 119.600 0.161 0.000 2.206 537 M HA 0.353 4.833 4.480 -0.000 0.000 0.272 537 M C -1.069 175.321 176.300 0.151 0.000 1.012 537 M CA -0.059 55.286 55.300 0.076 0.000 0.986 537 M CB 1.546 34.090 32.600 -0.095 0.000 1.740 537 M HN 0.715 nan 8.290 nan 0.000 0.472 538 A N 2.988 125.865 122.820 0.095 0.000 2.872 538 A HA -0.026 4.294 4.320 -0.000 0.000 0.273 538 A C 1.170 178.805 177.584 0.084 0.000 1.442 538 A CA 1.617 53.717 52.037 0.105 0.000 0.801 538 A CB -2.601 16.532 19.000 0.222 0.000 1.031 538 A HN 2.487 nan 8.150 nan 0.000 0.582 539 G N -3.003 105.839 108.800 0.070 0.000 2.179 539 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.260 539 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.260 539 G C 0.108 175.032 174.900 0.040 0.000 0.977 539 G CA 0.565 45.692 45.100 0.045 0.000 0.641 539 G HN 1.500 nan 8.290 nan 0.000 0.533 540 L N 0.360 121.629 121.223 0.077 0.000 2.307 540 L HA 0.504 4.844 4.340 -0.000 0.000 0.282 540 L C 0.430 177.282 176.870 -0.030 0.000 1.051 540 L CA -0.710 54.119 54.840 -0.018 0.000 0.804 540 L CB 1.423 43.462 42.059 -0.033 0.000 1.197 540 L HN -0.022 nan 8.230 nan 0.000 0.431 541 K N 3.571 123.883 120.400 -0.148 0.000 2.281 541 K HA 0.414 4.734 4.320 -0.000 0.000 0.272 541 K C -1.214 175.265 176.600 -0.203 0.000 1.048 541 K CA -0.358 55.887 56.287 -0.069 0.000 0.898 541 K CB 0.916 33.394 32.500 -0.036 0.000 1.128 541 K HN 0.218 nan 8.250 nan 0.000 0.460 542 F N 3.481 123.426 119.950 -0.007 0.000 2.411 542 F HA 0.179 4.706 4.527 -0.000 0.000 0.350 542 F C 1.751 177.580 175.800 0.049 0.000 1.114 542 F CA -0.921 57.094 58.000 0.025 0.000 1.135 542 F CB 0.544 39.542 39.000 -0.003 0.000 1.120 542 F HN 0.471 nan 8.300 nan 0.000 0.495 543 I N 0.304 120.979 120.570 0.176 0.000 2.614 543 I HA -0.039 4.131 4.170 -0.000 0.000 0.258 543 I C -0.252 175.971 176.117 0.177 0.000 1.189 543 I CA 0.583 61.967 61.300 0.139 0.000 1.462 543 I CB -0.487 37.572 38.000 0.099 0.000 1.092 543 I HN 0.675 nan 8.210 nan 0.000 0.442 544 N N -1.081 117.769 118.700 0.251 0.000 2.815 544 N HA 0.251 4.991 4.740 -0.000 0.000 0.253 544 N C -2.558 173.102 175.510 0.249 0.000 1.202 544 N CA -1.375 51.808 53.050 0.222 0.000 0.925 544 N CB 0.731 39.367 38.487 0.249 0.000 1.622 544 N HN -0.303 nan 8.380 nan 0.000 0.497 545 P HA -0.008 nan 4.420 nan 0.000 0.231 545 P C -0.563 176.704 177.300 -0.056 0.000 1.158 545 P CA 0.653 63.667 63.100 -0.143 0.000 0.763 545 P CB -0.071 31.391 31.700 -0.396 0.000 0.805 546 F N 0.921 121.017 119.950 0.244 0.000 2.412 546 F HA 0.556 5.083 4.527 -0.000 0.000 0.348 546 F C 1.487 177.338 175.800 0.086 0.000 1.102 546 F CA 0.146 58.252 58.000 0.177 0.000 1.196 546 F CB 1.130 40.134 39.000 0.007 0.000 1.144 546 F HN -0.112 nan 8.300 nan 0.000 0.541 547 G N 2.676 111.456 108.800 -0.033 0.000 2.698 547 G HA2 0.551 4.511 3.960 -0.000 0.000 0.293 547 G HA3 0.551 4.511 3.960 -0.000 0.000 0.293 547 G C -1.798 172.852 174.900 -0.415 0.000 1.437 547 G CA -0.994 43.558 45.100 -0.914 0.000 0.852 547 G HN 0.518 nan 8.290 nan 0.000 0.499 548 L N 1.356 122.260 121.223 -0.531 0.000 2.319 548 L HA 0.526 4.866 4.340 -0.000 0.000 0.280 548 L C 1.010 177.748 176.870 -0.220 0.000 1.099 548 L CA -0.598 53.963 54.840 -0.464 0.000 0.828 548 L CB 1.302 42.990 42.059 -0.618 0.000 1.150 548 L HN 0.669 nan 8.230 nan 0.000 0.442 549 A N 2.767 125.514 122.820 -0.122 0.000 2.354 549 A HA 0.221 4.541 4.320 -0.000 0.000 0.269 549 A C 0.542 178.093 177.584 -0.055 0.000 1.109 549 A CA -0.332 51.682 52.037 -0.039 0.000 0.800 549 A CB 0.810 19.799 19.000 -0.019 0.000 1.045 549 A HN 0.684 nan 8.150 nan 0.000 0.489 550 S N 1.124 116.804 115.700 -0.033 0.000 2.973 550 S HA 0.373 4.843 4.470 -0.000 0.000 0.357 550 S C 0.368 174.934 174.600 -0.057 0.000 1.159 550 S CA 0.755 58.919 58.200 -0.059 0.000 1.423 550 S CB -1.393 61.773 63.200 -0.056 0.000 1.115 550 S HN 2.103 nan 8.310 nan 0.000 0.563 551 A N 4.214 126.998 122.820 -0.059 0.000 2.775 551 A HA 0.774 5.094 4.320 -0.000 0.000 0.305 551 A C 0.938 178.500 177.584 -0.037 0.000 1.082 551 A CA -0.096 51.912 52.037 -0.048 0.000 0.591 551 A CB -0.634 18.335 19.000 -0.053 0.000 1.472 551 A HN 1.355 nan 8.150 nan 0.000 0.636 552 A N -0.194 122.596 122.820 -0.050 0.000 1.896 552 A HA -0.026 4.294 4.320 -0.000 0.000 0.220 552 A C -0.313 177.257 177.584 -0.024 0.000 1.206 552 A CA 2.793 54.802 52.037 -0.046 0.000 0.647 552 A CB -2.070 16.870 19.000 -0.100 0.000 0.828 552 A HN 0.529 nan 8.150 nan 0.000 0.455 553 P HA -0.071 nan 4.420 nan 0.000 0.224 553 P C 0.446 177.792 177.300 0.076 0.000 1.142 553 P CA 1.739 64.861 63.100 0.037 0.000 0.778 553 P CB -0.175 31.534 31.700 0.015 0.000 0.764 554 T N -6.880 107.690 114.554 0.027 0.000 3.448 554 T HA 0.222 4.572 4.350 -0.000 0.000 0.271 554 T C 0.954 175.775 174.700 0.202 0.000 1.002 554 T CA -0.326 61.811 62.100 0.063 0.000 0.995 554 T CB -0.689 68.165 68.868 -0.025 0.000 1.153 554 T HN -0.203 nan 8.240 nan 0.000 0.510 555 T N 2.067 116.733 114.554 0.187 0.000 2.951 555 T HA 0.117 4.467 4.350 -0.000 0.000 0.268 555 T C 0.565 175.490 174.700 0.375 0.000 1.073 555 T CA 0.763 63.008 62.100 0.242 0.000 1.134 555 T CB 0.035 68.972 68.868 0.114 0.000 0.884 555 T HN 0.501 nan 8.240 nan 0.000 0.479 556 S N -0.092 115.784 115.700 0.292 0.000 2.547 556 S HA 0.311 4.781 4.470 -0.000 0.000 0.281 556 S C 1.122 175.820 174.600 0.163 0.000 1.118 556 S CA -0.677 57.643 58.200 0.200 0.000 0.947 556 S CB 1.999 65.249 63.200 0.084 0.000 1.053 556 S HN 0.357 nan 8.310 nan 0.000 0.482 557 S N 1.892 117.592 115.700 0.000 0.000 2.419 557 S HA -0.179 4.291 4.470 -0.000 0.000 0.235 557 S C 1.958 176.535 174.600 -0.038 0.000 1.019 557 S CA 1.564 59.731 58.200 -0.055 0.000 0.982 557 S CB -0.749 62.268 63.200 -0.306 0.000 0.789 557 S HN 0.819 nan 8.310 nan 0.000 0.490 558 S N 2.405 118.108 115.700 0.004 0.000 2.383 558 S HA -0.103 4.367 4.470 -0.000 0.000 0.229 558 S C 1.918 176.522 174.600 0.007 0.000 1.030 558 S CA 1.474 59.685 58.200 0.018 0.000 1.002 558 S CB -0.760 62.464 63.200 0.040 0.000 0.829 558 S HN 0.549 nan 8.310 nan 0.000 0.467 559 M N 1.038 120.655 119.600 0.028 0.000 2.099 559 M HA 0.096 4.576 4.480 -0.000 0.000 0.262 559 M C 2.232 178.388 176.300 -0.241 0.000 1.067 559 M CA 1.417 56.756 55.300 0.065 0.000 1.124 559 M CB -0.660 32.055 32.600 0.191 0.000 1.353 559 M HN 0.258 nan 8.290 nan 0.000 0.410 560 I N -0.246 120.133 120.570 -0.319 0.000 2.264 560 I HA -0.337 3.833 4.170 -0.000 0.000 0.248 560 I C 2.683 178.285 176.117 -0.859 0.000 1.111 560 I CA 1.325 62.217 61.300 -0.680 0.000 1.382 560 I CB -0.555 37.117 38.000 -0.547 0.000 1.060 560 I HN 0.338 nan 8.210 nan 0.000 0.418 561 R N 1.353 121.581 120.500 -0.453 0.000 2.082 561 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 561 R C 2.519 178.645 176.300 -0.289 0.000 1.136 561 R CA 1.652 57.561 56.100 -0.318 0.000 0.935 561 R CB -0.175 30.148 30.300 0.038 0.000 0.842 561 R HN 0.246 nan 8.270 nan 0.000 0.430 562 R N -0.039 120.367 120.500 -0.157 0.000 2.091 562 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 562 R C 2.386 178.570 176.300 -0.193 0.000 1.136 562 R CA 1.388 57.459 56.100 -0.048 0.000 0.959 562 R CB -0.437 29.931 30.300 0.114 0.000 0.856 562 R HN 0.335 nan 8.270 nan 0.000 0.437 563 A N 1.081 123.520 122.820 -0.635 0.000 1.883 563 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 563 A C 1.876 179.350 177.584 -0.183 0.000 1.186 563 A CA 1.409 52.949 52.037 -0.828 0.000 0.624 563 A CB -0.625 17.484 19.000 -1.485 0.000 0.822 563 A HN 0.177 nan 8.150 nan 0.000 0.444 564 F N 0.261 119.985 119.950 -0.376 0.000 2.134 564 F HA -0.093 4.434 4.527 0.000 0.000 0.299 564 F C 2.410 178.115 175.800 -0.159 0.000 1.097 564 F CA 1.123 58.913 58.000 -0.350 0.000 1.264 564 F CB -1.092 37.334 39.000 -0.957 0.000 1.001 564 F HN 0.369 nan 8.300 nan 0.000 0.479 565 E N -0.134 120.101 120.200 0.058 0.000 2.118 565 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 565 E C 2.325 179.028 176.600 0.172 0.000 0.992 565 E CA 1.099 57.620 56.400 0.201 0.000 0.804 565 E CB -0.307 29.514 29.700 0.202 0.000 0.741 565 E HN 0.331 nan 8.360 nan 0.000 0.458 566 A N 0.054 122.973 122.820 0.166 0.000 2.067 566 A HA 0.059 4.379 4.320 -0.000 0.000 0.219 566 A C 1.853 179.516 177.584 0.132 0.000 1.158 566 A CA 1.373 53.516 52.037 0.177 0.000 0.661 566 A CB -0.149 19.017 19.000 0.277 0.000 0.801 566 A HN 0.391 nan 8.150 nan 0.000 0.452 567 G N -3.737 105.169 108.800 0.177 0.000 2.164 567 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.154 567 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.154 567 G C -0.255 174.723 174.900 0.129 0.000 1.014 567 G CA -0.328 44.844 45.100 0.119 0.000 0.683 567 G HN 0.315 nan 8.290 nan 0.000 0.500 568 W N 0.919 122.277 121.300 0.096 0.000 2.223 568 W HA 0.466 5.126 4.660 0.000 0.000 0.334 568 W C 1.612 178.253 176.519 0.204 0.000 1.334 568 W CA 1.094 58.514 57.345 0.125 0.000 1.246 568 W CB 0.875 30.344 29.460 0.016 0.000 1.184 568 W HN 0.221 nan 8.180 nan 0.000 0.563 569 G N 2.622 111.674 108.800 0.420 0.000 2.442 569 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.219 569 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.219 569 G C -0.135 175.100 174.900 0.558 0.000 1.141 569 G CA 1.055 46.424 45.100 0.449 0.000 0.763 569 G HN 0.547 nan 8.290 nan 0.000 0.554 570 F N -2.903 117.350 119.950 0.505 0.000 2.817 570 F HA 0.764 5.291 4.527 -0.000 0.000 0.317 570 F C -0.750 175.353 175.800 0.504 0.000 1.168 570 F CA -1.307 56.990 58.000 0.494 0.000 0.911 570 F CB 0.962 40.236 39.000 0.458 0.000 1.337 570 F HN 0.276 nan 8.300 nan 0.000 0.464 571 A N 1.496 124.613 122.820 0.495 0.000 2.606 571 A HA 0.762 5.082 4.320 -0.000 0.000 0.293 571 A C -2.461 175.264 177.584 0.235 0.000 1.082 571 A CA -0.809 51.293 52.037 0.108 0.000 0.685 571 A CB 1.871 20.744 19.000 -0.213 0.000 1.284 571 A HN 0.812 nan 8.150 nan 0.000 0.408 572 L N 1.847 123.123 121.223 0.087 0.000 2.329 572 L HA 0.578 4.918 4.340 -0.000 0.000 0.279 572 L C 0.823 177.683 176.870 -0.017 0.000 1.014 572 L CA -0.079 54.814 54.840 0.088 0.000 0.814 572 L CB 1.582 43.680 42.059 0.066 0.000 1.257 572 L HN 1.042 nan 8.230 nan 0.000 0.424 573 T N 0.038 114.562 114.554 -0.050 0.000 2.907 573 T HA 0.242 4.592 4.350 -0.000 0.000 0.298 573 T C 0.233 174.641 174.700 -0.487 0.000 1.017 573 T CA -0.711 61.211 62.100 -0.296 0.000 1.118 573 T CB 1.329 70.026 68.868 -0.286 0.000 0.948 573 T HN 0.372 nan 8.240 nan 0.000 0.531 574 K N 2.107 122.113 120.400 -0.656 0.000 2.494 574 K HA 0.074 4.394 4.320 -0.000 0.000 0.273 574 K C 0.099 176.411 176.600 -0.479 0.000 0.970 574 K CA 0.352 56.408 56.287 -0.385 0.000 0.963 574 K CB -0.343 32.062 32.500 -0.159 0.000 0.913 574 K HN 0.769 nan 8.250 nan 0.000 0.502 575 T N 5.123 119.517 114.554 -0.266 0.000 2.853 575 T HA 0.272 4.622 4.350 -0.000 0.000 0.298 575 T C -0.262 174.320 174.700 -0.197 0.000 0.978 575 T CA 0.200 62.138 62.100 -0.270 0.000 1.152 575 T CB -0.504 68.272 68.868 -0.154 0.000 0.914 575 T HN 0.414 nan 8.240 nan 0.000 0.539 576 F N 0.569 120.373 119.950 -0.243 0.000 2.593 576 F HA 0.871 5.398 4.527 0.000 0.000 0.320 576 F C -0.004 175.757 175.800 -0.066 0.000 1.060 576 F CA -1.375 56.547 58.000 -0.130 0.000 0.940 576 F CB 1.311 40.241 39.000 -0.118 0.000 1.268 576 F HN 0.547 nan 8.300 nan 0.000 0.475 577 S N 1.389 117.257 115.700 0.280 0.000 2.732 577 S HA 0.725 5.195 4.470 -0.000 0.000 0.293 577 S C -0.890 173.808 174.600 0.164 0.000 1.159 577 S CA -1.156 57.116 58.200 0.120 0.000 0.847 577 S CB 1.104 64.296 63.200 -0.014 0.000 1.169 577 S HN 0.881 nan 8.310 nan 0.000 0.501 578 L N 1.468 122.727 121.223 0.059 0.000 2.483 578 L HA 0.181 4.521 4.340 -0.000 0.000 0.275 578 L C 1.043 177.940 176.870 0.045 0.000 1.220 578 L CA -0.262 54.608 54.840 0.050 0.000 0.833 578 L CB -0.076 41.982 42.059 -0.002 0.000 1.102 578 L HN 0.745 nan 8.230 nan 0.000 0.490 579 D N 0.552 120.977 120.400 0.041 0.000 2.149 579 D HA -0.239 4.401 4.640 -0.000 0.000 0.194 579 D C 1.899 178.210 176.300 0.020 0.000 1.001 579 D CA 1.966 55.986 54.000 0.032 0.000 0.849 579 D CB -0.063 40.751 40.800 0.022 0.000 0.939 579 D HN 0.586 nan 8.370 nan 0.000 0.449 580 K N 0.089 120.494 120.400 0.009 0.000 2.280 580 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 580 K C 0.359 176.960 176.600 0.002 0.000 1.047 580 K CA 1.249 57.537 56.287 0.002 0.000 0.942 580 K CB 0.137 32.633 32.500 -0.006 0.000 0.739 580 K HN 0.068 nan 8.250 nan 0.000 0.457 581 D N 0.967 121.369 120.400 0.002 0.000 2.388 581 D HA 0.087 4.727 4.640 -0.000 0.000 0.221 581 D C -0.069 176.240 176.300 0.016 0.000 1.133 581 D CA -0.356 53.644 54.000 0.000 0.000 0.831 581 D CB 0.018 40.806 40.800 -0.020 0.000 0.962 581 D HN 0.145 nan 8.370 nan 0.000 0.502 582 I N 2.068 122.653 120.570 0.024 0.000 2.775 582 I HA -0.124 4.046 4.170 -0.000 0.000 0.290 582 I C 0.168 176.299 176.117 0.024 0.000 1.203 582 I CA 0.044 61.363 61.300 0.033 0.000 1.433 582 I CB 0.506 38.522 38.000 0.028 0.000 1.354 582 I HN -0.157 nan 8.210 nan 0.000 0.579 583 V N 3.808 123.739 119.914 0.028 0.000 3.096 583 V HA 0.802 4.922 4.120 -0.000 0.000 0.319 583 V C -0.186 175.917 176.094 0.015 0.000 1.103 583 V CA -0.488 61.824 62.300 0.019 0.000 1.016 583 V CB 1.827 33.662 31.823 0.020 0.000 1.090 583 V HN 0.749 nan 8.190 nan 0.000 0.449 584 T N 2.317 116.876 114.554 0.008 0.000 2.937 584 T HA 0.428 4.779 4.350 -0.000 0.000 0.297 584 T C -0.551 174.148 174.700 -0.003 0.000 0.991 584 T CA -0.417 61.685 62.100 0.002 0.000 0.990 584 T CB 0.925 69.792 68.868 -0.001 0.000 0.991 584 T HN 0.805 nan 8.240 nan 0.000 0.440 585 N N 1.659 120.356 118.700 -0.005 0.000 2.467 585 N HA 0.493 5.233 4.740 -0.000 0.000 0.262 585 N C 0.258 175.757 175.510 -0.019 0.000 1.234 585 N CA -0.241 52.802 53.050 -0.012 0.000 0.952 585 N CB 1.350 39.829 38.487 -0.013 0.000 1.158 585 N HN 0.506 nan 8.380 nan 0.000 0.463 586 V N -1.685 118.212 119.914 -0.028 0.000 3.193 586 V HA 0.887 5.007 4.120 -0.000 0.000 0.320 586 V C 0.059 176.126 176.094 -0.045 0.000 1.112 586 V CA -0.829 61.451 62.300 -0.034 0.000 1.026 586 V CB 1.478 33.277 31.823 -0.040 0.000 1.128 586 V HN 0.790 nan 8.190 nan 0.000 0.452 587 S N -0.071 115.601 115.700 -0.047 0.000 2.535 587 S HA 0.673 5.143 4.470 -0.000 0.000 0.272 587 S C -2.971 171.594 174.600 -0.058 0.000 1.149 587 S CA -0.949 57.217 58.200 -0.057 0.000 0.888 587 S CB 1.399 64.579 63.200 -0.032 0.000 1.110 587 S HN 1.034 nan 8.310 nan 0.000 0.463 588 P HA 0.354 nan 4.420 nan 0.000 0.269 588 P C -0.139 177.030 177.300 -0.219 0.000 1.215 588 P CA -0.464 62.531 63.100 -0.175 0.000 0.780 588 P CB 0.617 32.122 31.700 -0.326 0.000 0.898 589 R N 0.417 120.809 120.500 -0.181 0.000 2.582 589 R HA 0.400 4.740 4.340 -0.000 0.000 0.285 589 R C 0.170 176.388 176.300 -0.136 0.000 0.940 589 R CA -0.177 55.830 56.100 -0.155 0.000 1.072 589 R CB 0.218 30.462 30.300 -0.094 0.000 1.527 589 R HN 0.278 nan 8.270 nan 0.000 0.538 590 I N 2.953 123.449 120.570 -0.123 0.000 2.439 590 I HA 0.394 4.564 4.170 -0.000 0.000 0.285 590 I C -0.483 175.630 176.117 -0.006 0.000 1.021 590 I CA -1.404 59.863 61.300 -0.056 0.000 1.091 590 I CB 2.181 40.151 38.000 -0.050 0.000 1.242 590 I HN -0.062 nan 8.210 nan 0.000 0.439 591 V N 3.178 123.115 119.914 0.040 0.000 3.074 591 V HA 0.682 4.802 4.120 -0.000 0.000 0.314 591 V C -0.151 176.102 176.094 0.266 0.000 1.117 591 V CA -1.092 61.292 62.300 0.140 0.000 1.014 591 V CB 1.870 33.659 31.823 -0.057 0.000 1.057 591 V HN 0.889 nan 8.190 nan 0.000 0.438 592 R N 1.466 122.106 120.500 0.235 0.000 2.615 592 R HA 0.664 5.004 4.340 -0.000 0.000 0.270 592 R C 0.281 176.536 176.300 -0.074 0.000 1.081 592 R CA 0.139 56.228 56.100 -0.017 0.000 1.154 592 R CB 0.529 30.798 30.300 -0.051 0.000 1.063 592 R HN 1.156 nan 8.270 nan 0.000 0.519 593 G N -0.129 108.526 108.800 -0.241 0.000 2.395 593 G HA2 0.238 4.198 3.960 -0.000 0.000 0.283 593 G HA3 0.238 4.198 3.960 -0.000 0.000 0.283 593 G C 0.548 175.362 174.900 -0.144 0.000 1.178 593 G CA -0.584 44.425 45.100 -0.152 0.000 0.837 593 G HN 0.756 nan 8.290 nan 0.000 0.518 594 T N -1.820 112.686 114.554 -0.081 0.000 3.122 594 T HA -0.003 4.347 4.350 -0.000 0.000 0.250 594 T C 2.001 176.658 174.700 -0.072 0.000 1.067 594 T CA 0.711 62.762 62.100 -0.082 0.000 0.966 594 T CB -0.126 68.724 68.868 -0.031 0.000 1.002 594 T HN 0.521 nan 8.240 nan 0.000 0.542 595 T N 0.374 114.885 114.554 -0.072 0.000 3.025 595 T HA -0.051 4.299 4.350 -0.000 0.000 0.270 595 T C 1.613 176.276 174.700 -0.061 0.000 1.126 595 T CA 0.934 63.001 62.100 -0.055 0.000 1.105 595 T CB -0.541 68.299 68.868 -0.046 0.000 0.884 595 T HN 0.581 nan 8.240 nan 0.000 0.522 596 S N -0.408 115.240 115.700 -0.087 0.000 2.855 596 S HA 0.615 5.085 4.470 -0.000 0.000 0.249 596 S C 0.957 175.505 174.600 -0.086 0.000 1.033 596 S CA -0.233 57.919 58.200 -0.080 0.000 1.038 596 S CB -0.004 63.144 63.200 -0.087 0.000 0.960 596 S HN 1.166 nan 8.310 nan 0.000 0.548 597 G N 2.821 111.569 108.800 -0.087 0.000 2.725 597 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.220 597 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.220 597 G C -2.830 171.994 174.900 -0.127 0.000 1.357 597 G CA -0.508 44.546 45.100 -0.077 0.000 0.866 597 G HN 0.298 nan 8.290 nan 0.000 0.548 598 P HA 0.271 nan 4.420 nan 0.000 0.231 598 P C -0.386 176.884 177.300 -0.051 0.000 1.756 598 P CA 0.211 63.282 63.100 -0.047 0.000 0.990 598 P CB -0.086 31.706 31.700 0.153 0.000 1.973 599 M N 2.172 121.619 119.600 -0.255 0.000 2.101 599 M HA 0.323 4.803 4.480 -0.000 0.000 0.340 599 M C -0.388 175.745 176.300 -0.279 0.000 1.057 599 M CA -0.987 54.237 55.300 -0.126 0.000 0.984 599 M CB 0.610 33.152 32.600 -0.096 0.000 1.560 599 M HN 0.035 nan 8.290 nan 0.000 0.435 600 Y N 0.530 120.813 120.300 -0.028 0.000 2.457 600 Y HA 0.792 5.342 4.550 -0.000 0.000 0.333 600 Y C 1.157 177.048 175.900 -0.014 0.000 1.119 600 Y CA 0.188 58.275 58.100 -0.022 0.000 1.143 600 Y CB 1.602 40.050 38.460 -0.020 0.000 1.230 600 Y HN 0.927 nan 8.280 nan 0.000 0.469 601 G N 1.125 110.007 108.800 0.136 0.000 2.460 601 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.207 601 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.207 601 G C -2.823 172.109 174.900 0.054 0.000 1.170 601 G CA -0.828 44.324 45.100 0.086 0.000 1.151 601 G HN 0.581 nan 8.290 nan 0.000 0.575 602 P HA 0.452 nan 4.420 nan 0.000 0.276 602 P C 0.673 177.985 177.300 0.021 0.000 1.252 602 P CA 1.460 64.582 63.100 0.036 0.000 0.802 602 P CB 0.600 32.315 31.700 0.025 0.000 1.035 603 G N 0.763 109.584 108.800 0.034 0.000 2.359 603 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.298 603 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.298 603 G C -0.010 174.867 174.900 -0.039 0.000 1.030 603 G CA -0.314 44.796 45.100 0.018 0.000 1.149 603 G HN 0.565 nan 8.290 nan 0.000 0.512 604 Q N 0.270 120.017 119.800 -0.089 0.000 2.296 604 Q HA 0.322 4.662 4.340 -0.000 0.000 0.262 604 Q C 1.826 177.687 176.000 -0.231 0.000 0.981 604 Q CA 0.519 56.168 55.803 -0.256 0.000 0.905 604 Q CB 1.212 29.610 28.738 -0.568 0.000 1.186 604 Q HN 0.746 nan 8.270 nan 0.000 0.399 605 S N 0.828 116.414 115.700 -0.189 0.000 2.500 605 S HA -0.048 4.422 4.470 -0.000 0.000 0.239 605 S C 0.665 175.193 174.600 -0.120 0.000 0.989 605 S CA 0.602 58.732 58.200 -0.116 0.000 0.951 605 S CB -0.050 63.096 63.200 -0.090 0.000 0.759 605 S HN 0.663 nan 8.310 nan 0.000 0.523 606 S N -1.267 114.282 115.700 -0.252 0.000 2.645 606 S HA 0.679 5.149 4.470 -0.000 0.000 0.268 606 S C -1.578 172.779 174.600 -0.405 0.000 1.110 606 S CA -1.221 56.871 58.200 -0.179 0.000 0.823 606 S CB 0.068 63.231 63.200 -0.061 0.000 1.091 606 S HN 0.189 nan 8.310 nan 0.000 0.466 607 F N 0.083 120.041 119.950 0.013 0.000 2.599 607 F HA 0.793 5.320 4.527 0.000 0.000 0.311 607 F C -0.694 175.108 175.800 0.004 0.000 1.076 607 F CA -0.841 57.165 58.000 0.010 0.000 0.937 607 F CB 2.091 41.096 39.000 0.008 0.000 1.282 607 F HN 0.781 nan 8.300 nan 0.000 0.460 608 L N 2.978 124.314 121.223 0.188 0.000 2.386 608 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 608 L C -1.576 175.327 176.870 0.054 0.000 0.993 608 L CA -0.376 54.520 54.840 0.092 0.000 0.819 608 L CB 1.824 43.913 42.059 0.051 0.000 1.294 608 L HN 0.872 nan 8.230 nan 0.000 0.414 609 N N 3.483 122.199 118.700 0.026 0.000 2.277 609 N HA 0.433 5.173 4.740 -0.000 0.000 0.286 609 N C -0.576 174.921 175.510 -0.023 0.000 1.140 609 N CA -0.906 52.136 53.050 -0.014 0.000 0.799 609 N CB 1.628 40.107 38.487 -0.014 0.000 1.596 609 N HN 0.606 nan 8.380 nan 0.000 0.473 610 I N -2.705 117.835 120.570 -0.049 0.000 3.637 610 I HA 0.410 4.580 4.170 -0.000 0.000 0.342 610 I C -0.114 175.981 176.117 -0.037 0.000 1.545 610 I CA -0.582 60.693 61.300 -0.042 0.000 1.126 610 I CB 0.021 37.981 38.000 -0.068 0.000 1.375 610 I HN 0.577 nan 8.210 nan 0.000 0.467 611 E N 2.062 122.244 120.200 -0.031 0.000 2.313 611 E HA 0.457 4.807 4.350 -0.000 0.000 0.276 611 E C -0.531 176.062 176.600 -0.011 0.000 1.031 611 E CA -0.535 55.850 56.400 -0.025 0.000 0.857 611 E CB 1.231 30.915 29.700 -0.028 0.000 1.040 611 E HN 0.495 nan 8.360 nan 0.000 0.408 612 L N 4.104 125.323 121.223 -0.006 0.000 2.657 612 L HA 0.398 4.738 4.340 -0.000 0.000 0.240 612 L C 1.208 178.081 176.870 0.005 0.000 1.151 612 L CA -1.020 53.821 54.840 0.002 0.000 0.831 612 L CB 0.024 42.086 42.059 0.006 0.000 1.539 612 L HN 0.628 nan 8.230 nan 0.000 0.511 613 I N -2.258 118.316 120.570 0.008 0.000 3.176 613 I HA 0.063 4.233 4.170 -0.000 0.000 0.204 613 I C 0.836 176.974 176.117 0.035 0.000 1.334 613 I CA -0.273 61.031 61.300 0.006 0.000 0.825 613 I CB 0.072 38.072 38.000 -0.000 0.000 1.694 613 I HN 0.433 nan 8.210 nan 0.000 0.970 614 S N -0.302 115.435 115.700 0.061 0.000 2.572 614 S HA 0.072 4.542 4.470 -0.000 0.000 0.279 614 S C 0.654 175.345 174.600 0.152 0.000 1.341 614 S CA -0.242 58.047 58.200 0.148 0.000 1.043 614 S CB 0.348 63.700 63.200 0.253 0.000 0.887 614 S HN 0.670 nan 8.310 nan 0.000 0.516 615 E N 1.775 122.055 120.200 0.134 0.000 2.474 615 E HA 0.094 4.444 4.350 -0.000 0.000 0.195 615 E C -0.154 176.490 176.600 0.074 0.000 1.039 615 E CA 0.201 56.648 56.400 0.078 0.000 0.881 615 E CB 0.365 30.083 29.700 0.030 0.000 0.970 615 E HN 0.486 nan 8.360 nan 0.000 0.486 616 K N 1.878 122.370 120.400 0.153 0.000 2.143 616 K HA 0.135 4.455 4.320 -0.000 0.000 0.272 616 K C 0.208 176.945 176.600 0.229 0.000 1.001 616 K CA -0.282 56.039 56.287 0.055 0.000 0.915 616 K CB 1.238 33.635 32.500 -0.172 0.000 1.047 616 K HN -0.012 nan 8.250 nan 0.000 0.458 617 T N -0.984 113.629 114.554 0.098 0.000 2.903 617 T HA 0.078 4.428 4.350 -0.000 0.000 0.314 617 T C 1.348 176.141 174.700 0.156 0.000 1.078 617 T CA -0.283 61.893 62.100 0.128 0.000 1.114 617 T CB 1.218 70.116 68.868 0.051 0.000 0.987 617 T HN 0.605 nan 8.240 nan 0.000 0.548 618 A N 1.858 124.725 122.820 0.078 0.000 2.070 618 A HA 0.194 4.514 4.320 -0.000 0.000 0.220 618 A C 2.581 180.066 177.584 -0.165 0.000 1.159 618 A CA 1.560 53.500 52.037 -0.162 0.000 0.656 618 A CB -1.382 17.640 19.000 0.038 0.000 0.800 618 A HN 1.213 nan 8.150 nan 0.000 0.453 619 A N -0.861 121.933 122.820 -0.043 0.000 1.858 619 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 619 A C 2.119 179.657 177.584 -0.076 0.000 1.190 619 A CA 1.659 53.671 52.037 -0.042 0.000 0.617 619 A CB -0.971 18.025 19.000 -0.007 0.000 0.827 619 A HN 0.782 nan 8.150 nan 0.000 0.443 620 Y N -0.940 119.233 120.300 -0.211 0.000 2.081 620 Y HA -0.300 4.250 4.550 -0.000 0.000 0.280 620 Y C 2.161 177.794 175.900 -0.444 0.000 1.163 620 Y CA 2.030 59.929 58.100 -0.334 0.000 1.135 620 Y CB -0.676 37.522 38.460 -0.437 0.000 0.970 620 Y HN 0.443 nan 8.280 nan 0.000 0.498 621 W N -0.573 120.512 121.300 -0.359 0.000 2.354 621 W HA -0.215 4.445 4.660 -0.000 0.000 0.315 621 W C 2.846 179.108 176.519 -0.429 0.000 1.206 621 W CA 1.746 58.772 57.345 -0.532 0.000 1.290 621 W CB -1.098 27.873 29.460 -0.815 0.000 1.152 621 W HN 0.083 nan 8.180 nan 0.000 0.489 622 C N -0.834 118.343 119.300 -0.204 0.000 2.413 622 C HA -0.230 4.230 4.460 -0.000 0.000 0.277 622 C C 2.628 177.571 174.990 -0.078 0.000 1.265 622 C CA 1.433 60.405 59.018 -0.076 0.000 1.752 622 C CB -1.342 26.366 27.740 -0.053 0.000 1.998 622 C HN 0.453 nan 8.230 nan 0.000 0.489 623 Q N 0.616 120.324 119.800 -0.153 0.000 2.083 623 Q HA -0.143 4.197 4.340 -0.000 0.000 0.198 623 Q C 2.287 178.187 176.000 -0.167 0.000 0.969 623 Q CA 1.658 57.380 55.803 -0.134 0.000 0.838 623 Q CB -0.083 28.569 28.738 -0.142 0.000 0.900 623 Q HN 0.626 nan 8.270 nan 0.000 0.436 624 S N 0.006 115.507 115.700 -0.332 0.000 2.374 624 S HA -0.162 4.308 4.470 -0.000 0.000 0.227 624 S C 1.970 176.521 174.600 -0.081 0.000 1.037 624 S CA 1.436 59.432 58.200 -0.339 0.000 1.024 624 S CB -0.346 62.420 63.200 -0.723 0.000 0.861 624 S HN 0.257 nan 8.310 nan 0.000 0.456 625 V N 1.725 121.644 119.914 0.008 0.000 2.255 625 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 625 V C 2.540 178.691 176.094 0.095 0.000 1.051 625 V CA 2.234 64.605 62.300 0.119 0.000 1.018 625 V CB -1.498 30.427 31.823 0.171 0.000 0.641 625 V HN 0.524 nan 8.190 nan 0.000 0.445 626 T N -0.192 114.391 114.554 0.048 0.000 2.665 626 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 626 T C 1.775 176.501 174.700 0.044 0.000 1.035 626 T CA 1.979 64.104 62.100 0.041 0.000 1.151 626 T CB -0.319 68.557 68.868 0.014 0.000 0.862 626 T HN 0.631 nan 8.240 nan 0.000 0.438 627 E N 0.729 120.944 120.200 0.026 0.000 2.051 627 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 627 E C 2.313 178.978 176.600 0.107 0.000 0.991 627 E CA 0.829 57.250 56.400 0.035 0.000 0.799 627 E CB -0.326 29.376 29.700 0.003 0.000 0.748 627 E HN 0.392 nan 8.360 nan 0.000 0.449 628 L N 0.994 122.319 121.223 0.170 0.000 1.994 628 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 628 L C 2.400 179.486 176.870 0.360 0.000 1.071 628 L CA 1.040 56.094 54.840 0.357 0.000 0.745 628 L CB -0.326 41.941 42.059 0.346 0.000 0.892 628 L HN 0.018 nan 8.230 nan 0.000 0.431 629 K N 0.015 120.551 120.400 0.227 0.000 2.280 629 K HA -0.077 4.243 4.320 -0.000 0.000 0.202 629 K C 2.030 178.685 176.600 0.092 0.000 1.047 629 K CA 1.223 57.605 56.287 0.159 0.000 0.942 629 K CB -0.355 32.214 32.500 0.115 0.000 0.739 629 K HN 0.306 nan 8.250 nan 0.000 0.457 630 A N 1.508 124.369 122.820 0.068 0.000 1.897 630 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 630 A C 1.687 179.239 177.584 -0.053 0.000 1.181 630 A CA 1.586 53.628 52.037 0.008 0.000 0.620 630 A CB -0.145 18.857 19.000 0.003 0.000 0.821 630 A HN 0.148 nan 8.150 nan 0.000 0.443 631 D N -1.522 118.819 120.400 -0.098 0.000 2.271 631 D HA 0.091 4.731 4.640 -0.000 0.000 0.206 631 D C -0.466 175.450 176.300 -0.639 0.000 0.967 631 D CA 0.764 54.526 54.000 -0.397 0.000 0.867 631 D CB 0.043 40.501 40.800 -0.569 0.000 0.960 631 D HN 0.428 nan 8.370 nan 0.000 0.509 632 F N -0.170 119.797 119.950 0.030 0.000 2.550 632 F HA 0.305 4.832 4.527 -0.000 0.000 0.348 632 F C -1.851 173.887 175.800 -0.103 0.000 1.219 632 F CA -1.855 56.117 58.000 -0.046 0.000 1.203 632 F CB 1.902 40.856 39.000 -0.077 0.000 1.436 632 F HN -0.216 nan 8.300 nan 0.000 0.541 633 P HA -0.116 nan 4.420 nan 0.000 0.220 633 P C 0.717 177.998 177.300 -0.032 0.000 1.148 633 P CA 1.391 64.489 63.100 -0.003 0.000 0.803 633 P CB 0.319 32.010 31.700 -0.015 0.000 0.782 634 D N -1.944 118.432 120.400 -0.041 0.000 2.360 634 D HA 0.054 4.694 4.640 -0.000 0.000 0.210 634 D C -0.047 176.169 176.300 -0.141 0.000 1.047 634 D CA 0.340 54.299 54.000 -0.069 0.000 0.854 634 D CB -0.365 40.417 40.800 -0.029 0.000 0.936 634 D HN 0.235 nan 8.370 nan 0.000 0.514 635 N N 1.209 119.758 118.700 -0.252 0.000 2.422 635 N HA 0.160 4.900 4.740 -0.000 0.000 0.266 635 N C -0.083 175.217 175.510 -0.350 0.000 1.007 635 N CA -0.379 52.363 53.050 -0.513 0.000 0.941 635 N CB 1.501 39.120 38.487 -1.448 0.000 1.115 635 N HN -0.098 nan 8.380 nan 0.000 0.492 636 I N 2.294 122.763 120.570 -0.168 0.000 2.533 636 I HA 0.060 4.229 4.170 -0.000 0.000 0.284 636 I C 0.033 176.280 176.117 0.216 0.000 1.109 636 I CA -0.123 61.137 61.300 -0.067 0.000 1.412 636 I CB 0.110 37.910 38.000 -0.333 0.000 1.396 636 I HN 0.205 nan 8.210 nan 0.000 0.543 637 V N 8.321 128.365 119.914 0.217 0.000 2.409 637 V HA 0.441 4.561 4.120 -0.000 0.000 0.291 637 V C 0.197 176.451 176.094 0.266 0.000 1.020 637 V CA -0.530 61.968 62.300 0.330 0.000 0.848 637 V CB 1.934 33.949 31.823 0.320 0.000 0.990 637 V HN 0.418 nan 8.190 nan 0.000 0.430 638 I N 4.316 125.064 120.570 0.296 0.000 2.362 638 I HA 0.645 4.815 4.170 -0.000 0.000 0.289 638 I C 0.467 176.702 176.117 0.197 0.000 0.994 638 I CA -0.550 60.904 61.300 0.257 0.000 1.158 638 I CB 1.802 39.988 38.000 0.311 0.000 1.315 638 I HN 0.644 nan 8.210 nan 0.000 0.451 639 A N 4.479 127.401 122.820 0.169 0.000 2.328 639 A HA 0.484 4.804 4.320 -0.000 0.000 0.284 639 A C 0.035 177.580 177.584 -0.065 0.000 1.160 639 A CA -0.268 51.831 52.037 0.103 0.000 0.818 639 A CB 0.880 20.015 19.000 0.225 0.000 1.087 639 A HN 0.625 nan 8.150 nan 0.000 0.504 640 S N 2.668 118.232 115.700 -0.227 0.000 2.420 640 S HA 0.580 5.050 4.470 -0.000 0.000 0.313 640 S C -0.133 174.151 174.600 -0.526 0.000 1.079 640 S CA -0.642 57.413 58.200 -0.242 0.000 1.104 640 S CB -0.589 62.509 63.200 -0.171 0.000 0.969 640 S HN 0.666 nan 8.310 nan 0.000 0.471 641 I N 2.414 122.753 120.570 -0.385 0.000 2.750 641 I HA 0.734 4.904 4.170 -0.000 0.000 0.308 641 I C -0.680 175.313 176.117 -0.207 0.000 1.016 641 I CA -1.147 59.869 61.300 -0.473 0.000 1.098 641 I CB 2.094 39.871 38.000 -0.372 0.000 1.279 641 I HN 0.638 nan 8.210 nan 0.000 0.454 642 M N 4.940 124.339 119.600 -0.335 0.000 2.284 642 M HA 0.594 5.074 4.480 -0.000 0.000 0.281 642 M C -2.101 173.842 176.300 -0.596 0.000 1.083 642 M CA -0.022 55.061 55.300 -0.363 0.000 0.965 642 M CB 1.716 34.242 32.600 -0.124 0.000 1.717 642 M HN 0.936 nan 8.290 nan 0.000 0.479 643 C N 0.954 119.612 119.300 -1.070 0.000 2.994 643 C HA 0.761 5.221 4.460 -0.000 0.000 0.304 643 C C 0.479 175.237 174.990 -0.387 0.000 1.273 643 C CA -0.735 57.774 59.018 -0.847 0.000 1.537 643 C CB 2.049 29.031 27.740 -1.263 0.000 2.001 643 C HN 0.988 nan 8.230 nan 0.000 0.471 644 S N -0.245 115.386 115.700 -0.114 0.000 2.641 644 S HA 0.082 4.552 4.470 -0.000 0.000 0.251 644 S C -0.486 174.376 174.600 0.436 0.000 1.332 644 S CA -0.195 58.097 58.200 0.155 0.000 0.968 644 S CB -0.078 63.190 63.200 0.114 0.000 0.987 644 S HN 0.701 nan 8.310 nan 0.000 0.587 645 Y N 3.267 123.791 120.300 0.373 0.000 2.568 645 Y HA 0.318 4.868 4.550 -0.000 0.000 0.338 645 Y C 0.114 176.351 175.900 0.562 0.000 1.245 645 Y CA -0.863 57.565 58.100 0.547 0.000 1.667 645 Y CB -0.972 37.772 38.460 0.473 0.000 1.568 645 Y HN 0.598 nan 8.280 nan 0.000 0.471 646 N N 4.393 123.406 118.700 0.521 0.000 2.572 646 N HA 0.085 4.825 4.740 -0.000 0.000 0.287 646 N C 0.390 175.844 175.510 -0.094 0.000 1.136 646 N CA -0.312 52.795 53.050 0.095 0.000 0.900 646 N CB 1.327 39.841 38.487 0.044 0.000 1.484 646 N HN 0.599 nan 8.380 nan 0.000 0.526 647 K N 3.054 122.830 120.400 -1.041 0.000 2.020 647 K HA -0.159 4.161 4.320 -0.000 0.000 0.212 647 K C 1.019 177.353 176.600 -0.443 0.000 1.050 647 K CA 1.622 57.081 56.287 -1.382 0.000 0.929 647 K CB 0.101 31.501 32.500 -1.832 0.000 0.714 647 K HN 0.487 nan 8.250 nan 0.000 0.443 648 N N 1.421 119.926 118.700 -0.326 0.000 2.061 648 N HA -0.181 4.559 4.740 -0.000 0.000 0.193 648 N C 1.382 176.847 175.510 -0.075 0.000 1.030 648 N CA 1.729 54.680 53.050 -0.166 0.000 0.856 648 N CB -0.605 37.802 38.487 -0.134 0.000 1.023 648 N HN 0.321 nan 8.380 nan 0.000 0.424 649 D N -0.068 120.293 120.400 -0.065 0.000 2.084 649 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 649 D C 1.956 178.238 176.300 -0.031 0.000 0.990 649 D CA 0.752 54.710 54.000 -0.069 0.000 0.826 649 D CB -0.644 40.078 40.800 -0.129 0.000 0.971 649 D HN 0.369 nan 8.370 nan 0.000 0.453 650 W N 0.902 122.234 121.300 0.054 0.000 2.342 650 W HA -0.114 4.546 4.660 0.000 0.000 0.297 650 W C 2.644 179.183 176.519 0.033 0.000 1.213 650 W CA 0.785 58.190 57.345 0.099 0.000 1.251 650 W CB -0.232 29.402 29.460 0.290 0.000 1.136 650 W HN -0.043 nan 8.180 nan 0.000 0.526 651 M N -0.847 118.885 119.600 0.220 0.000 2.236 651 M HA -0.128 4.352 4.480 -0.000 0.000 0.266 651 M C 2.011 178.349 176.300 0.063 0.000 1.070 651 M CA 1.440 56.803 55.300 0.106 0.000 1.137 651 M CB -0.684 31.931 32.600 0.026 0.000 1.378 651 M HN 0.063 nan 8.290 nan 0.000 0.426 652 E N 1.182 121.405 120.200 0.038 0.000 2.001 652 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 652 E C 1.983 178.613 176.600 0.051 0.000 1.002 652 E CA 1.345 57.761 56.400 0.027 0.000 0.819 652 E CB -0.087 29.615 29.700 0.005 0.000 0.769 652 E HN 0.252 nan 8.360 nan 0.000 0.454 653 L N 1.380 122.630 121.223 0.046 0.000 2.013 653 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 653 L C 2.619 179.554 176.870 0.107 0.000 1.073 653 L CA 2.684 57.569 54.840 0.075 0.000 0.753 653 L CB -1.068 40.989 42.059 -0.004 0.000 0.890 653 L HN 0.320 nan 8.230 nan 0.000 0.432 654 S N -1.155 114.608 115.700 0.105 0.000 2.419 654 S HA -0.225 4.245 4.470 -0.000 0.000 0.233 654 S C 2.156 176.805 174.600 0.082 0.000 1.016 654 S CA 1.202 59.461 58.200 0.098 0.000 0.974 654 S CB -0.496 62.755 63.200 0.086 0.000 0.786 654 S HN 0.556 nan 8.310 nan 0.000 0.492 655 R N 0.928 121.473 120.500 0.075 0.000 2.080 655 R HA 0.165 4.505 4.340 -0.000 0.000 0.222 655 R C 2.565 178.913 176.300 0.081 0.000 1.107 655 R CA 1.180 57.319 56.100 0.065 0.000 0.980 655 R CB -0.253 30.075 30.300 0.047 0.000 0.879 655 R HN 0.489 nan 8.270 nan 0.000 0.439 656 K N 0.724 121.182 120.400 0.095 0.000 2.063 656 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 656 K C 1.965 178.652 176.600 0.144 0.000 1.048 656 K CA 1.574 57.925 56.287 0.107 0.000 0.928 656 K CB -0.107 32.465 32.500 0.120 0.000 0.713 656 K HN 0.146 nan 8.250 nan 0.000 0.442 657 A N 1.486 124.426 122.820 0.201 0.000 1.841 657 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 657 A C 2.067 179.752 177.584 0.169 0.000 1.199 657 A CA 1.979 54.169 52.037 0.255 0.000 0.621 657 A CB -0.894 18.261 19.000 0.259 0.000 0.835 657 A HN 0.625 nan 8.150 nan 0.000 0.445 658 E N -0.021 120.254 120.200 0.126 0.000 2.130 658 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 658 E C 2.052 178.703 176.600 0.085 0.000 0.998 658 E CA 1.280 57.738 56.400 0.097 0.000 0.806 658 E CB -0.300 29.445 29.700 0.075 0.000 0.738 658 E HN 0.527 nan 8.360 nan 0.000 0.459 659 A N 1.002 123.871 122.820 0.081 0.000 1.940 659 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 659 A C 2.333 179.954 177.584 0.062 0.000 1.176 659 A CA 2.095 54.170 52.037 0.063 0.000 0.631 659 A CB -0.797 18.237 19.000 0.057 0.000 0.814 659 A HN 0.485 nan 8.150 nan 0.000 0.446 660 S N -1.914 113.834 115.700 0.080 0.000 2.507 660 S HA 0.299 4.769 4.470 -0.000 0.000 0.235 660 S C 1.439 176.084 174.600 0.075 0.000 0.988 660 S CA 1.281 59.524 58.200 0.072 0.000 0.944 660 S CB -0.360 62.894 63.200 0.089 0.000 0.762 660 S HN 1.982 nan 8.310 nan 0.000 0.526 661 G N 0.395 109.244 108.800 0.082 0.000 2.168 661 G HA2 0.034 3.994 3.960 -0.000 0.000 0.197 661 G HA3 0.034 3.994 3.960 -0.000 0.000 0.197 661 G C 0.182 175.138 174.900 0.093 0.000 0.997 661 G CA -0.198 44.947 45.100 0.075 0.000 0.658 661 G HN 1.253 nan 8.290 nan 0.000 0.513 662 A N 0.519 123.411 122.820 0.119 0.000 2.567 662 A HA 0.425 4.745 4.320 -0.000 0.000 0.240 662 A C 1.340 178.988 177.584 0.106 0.000 1.053 662 A CA 1.036 53.156 52.037 0.138 0.000 0.755 662 A CB 0.184 19.285 19.000 0.168 0.000 0.978 662 A HN 0.331 nan 8.150 nan 0.000 0.507 663 D N 1.028 121.489 120.400 0.101 0.000 2.178 663 D HA 0.093 4.733 4.640 -0.000 0.000 0.201 663 D C 0.848 177.191 176.300 0.070 0.000 0.980 663 D CA 2.036 56.073 54.000 0.062 0.000 0.842 663 D CB 0.172 40.988 40.800 0.028 0.000 0.948 663 D HN 0.788 nan 8.370 nan 0.000 0.472 664 A N -0.679 122.208 122.820 0.111 0.000 2.511 664 A HA 0.615 4.935 4.320 -0.000 0.000 0.293 664 A C -1.729 175.937 177.584 0.136 0.000 1.098 664 A CA -0.684 51.407 52.037 0.091 0.000 0.643 664 A CB 0.716 19.784 19.000 0.113 0.000 1.302 664 A HN 0.029 nan 8.150 nan 0.000 0.446 665 L N -0.076 121.214 121.223 0.111 0.000 2.333 665 L HA 0.766 5.106 4.340 -0.000 0.000 0.263 665 L C -0.219 176.787 176.870 0.226 0.000 1.014 665 L CA -0.515 54.418 54.840 0.154 0.000 0.820 665 L CB 2.200 44.338 42.059 0.132 0.000 1.352 665 L HN 0.855 nan 8.230 nan 0.000 0.421 666 E N 1.458 121.778 120.200 0.200 0.000 2.241 666 E HA 0.425 4.775 4.350 -0.000 0.000 0.263 666 E C -1.710 174.991 176.600 0.168 0.000 0.882 666 E CA -0.835 55.705 56.400 0.234 0.000 0.769 666 E CB 1.765 31.581 29.700 0.195 0.000 1.185 666 E HN 0.303 nan 8.360 nan 0.000 0.415 667 L N 4.266 125.610 121.223 0.201 0.000 2.278 667 L HA 0.234 4.574 4.340 -0.000 0.000 0.287 667 L C 0.289 177.269 176.870 0.182 0.000 1.072 667 L CA -0.194 54.769 54.840 0.204 0.000 0.819 667 L CB 0.591 42.694 42.059 0.072 0.000 1.176 667 L HN 0.433 nan 8.230 nan 0.000 0.435 668 N N 4.623 123.456 118.700 0.221 0.000 2.555 668 N HA 0.116 4.856 4.740 -0.000 0.000 0.244 668 N C -0.191 175.445 175.510 0.210 0.000 1.114 668 N CA -0.162 52.978 53.050 0.150 0.000 0.963 668 N CB 0.415 38.946 38.487 0.073 0.000 1.276 668 N HN 0.541 nan 8.380 nan 0.000 0.510 669 L N 2.046 123.360 121.223 0.152 0.000 2.919 669 L HA 0.147 4.487 4.340 -0.000 0.000 0.242 669 L C 0.868 177.800 176.870 0.104 0.000 1.366 669 L CA -0.076 54.848 54.840 0.140 0.000 1.212 669 L CB -0.313 41.778 42.059 0.053 0.000 1.604 669 L HN 0.296 nan 8.230 nan 0.000 0.433 670 S N -1.256 114.509 115.700 0.109 0.000 2.568 670 S HA 0.064 4.534 4.470 -0.000 0.000 0.232 670 S C 0.431 175.081 174.600 0.083 0.000 0.975 670 S CA -0.431 57.815 58.200 0.076 0.000 0.949 670 S CB 0.162 63.395 63.200 0.055 0.000 0.829 670 S HN 0.589 nan 8.310 nan 0.000 0.479 671 C N 3.717 123.087 119.300 0.118 0.000 2.463 671 C HA 0.521 4.981 4.460 -0.000 0.000 0.380 671 C C -2.432 172.629 174.990 0.119 0.000 1.264 671 C CA -1.956 57.130 59.018 0.114 0.000 2.161 671 C CB 0.148 27.977 27.740 0.147 0.000 2.515 671 C HN 0.224 nan 8.230 nan 0.000 0.565 672 P HA 0.151 nan 4.420 nan 0.000 0.272 672 P C -0.897 176.491 177.300 0.147 0.000 1.240 672 P CA 0.251 63.411 63.100 0.099 0.000 0.791 672 P CB 0.214 31.955 31.700 0.067 0.000 0.978 673 H N 0.855 119.940 119.070 0.026 0.000 2.541 673 H HA 0.198 4.754 4.556 0.000 0.000 0.246 673 H C 0.949 176.290 175.328 0.021 0.000 1.341 673 H CA -0.326 55.730 56.048 0.013 0.000 1.469 673 H CB -0.136 29.576 29.762 -0.083 0.000 1.472 673 H HN 0.587 nan 8.280 nan 0.000 0.503 674 G N 3.750 112.473 108.800 -0.128 0.000 2.944 674 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.200 674 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.200 674 G C 0.620 175.429 174.900 -0.151 0.000 1.188 674 G CA 0.002 45.039 45.100 -0.105 0.000 0.897 674 G HN 0.541 nan 8.290 nan 0.000 0.514 675 M N 1.443 120.891 119.600 -0.252 0.000 2.120 675 M HA 0.445 4.925 4.480 -0.000 0.000 0.354 675 M C 1.524 177.836 176.300 0.021 0.000 1.287 675 M CA 0.081 55.311 55.300 -0.117 0.000 1.103 675 M CB 0.655 33.194 32.600 -0.101 0.000 1.623 675 M HN 0.206 nan 8.290 nan 0.000 0.471 676 G N 5.191 114.000 108.800 0.014 0.000 3.754 676 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.594 676 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.594 676 G C -0.178 174.742 174.900 0.033 0.000 0.877 676 G CA 0.869 45.983 45.100 0.024 0.000 0.725 676 G HN 0.813 nan 8.290 nan 0.000 1.358 681 G N 1.018 109.810 108.800 -0.013 0.000 2.530 681 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.405 681 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.405 681 G C 0.489 175.397 174.900 0.013 0.000 1.363 681 G CA 0.767 45.864 45.100 -0.004 0.000 0.927 681 G HN 0.601 nan 8.290 nan 0.000 0.525 682 L N 0.123 121.359 121.223 0.021 0.000 2.425 682 L HA 0.428 4.768 4.340 -0.000 0.000 0.215 682 L C 2.092 178.995 176.870 0.055 0.000 1.065 682 L CA 0.644 55.509 54.840 0.042 0.000 0.842 682 L CB -0.419 41.664 42.059 0.041 0.000 1.033 682 L HN 0.744 nan 8.230 nan 0.000 0.474 683 A N -0.886 121.956 122.820 0.037 0.000 2.351 683 A HA 0.118 4.438 4.320 -0.000 0.000 0.257 683 A C 1.229 178.822 177.584 0.015 0.000 1.087 683 A CA -0.446 51.616 52.037 0.041 0.000 0.798 683 A CB 0.588 19.609 19.000 0.034 0.000 1.033 683 A HN 0.286 nan 8.150 nan 0.000 0.488 684 C N 1.518 120.834 119.300 0.026 0.000 2.429 684 C HA -0.063 4.397 4.460 -0.000 0.000 0.277 684 C C 2.696 177.639 174.990 -0.078 0.000 1.262 684 C CA 1.330 60.317 59.018 -0.053 0.000 1.733 684 C CB -1.443 26.303 27.740 0.010 0.000 2.010 684 C HN 1.009 nan 8.230 nan 0.000 0.483 685 G N -0.705 108.081 108.800 -0.024 0.000 2.653 685 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.212 685 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.212 685 G C 1.451 176.328 174.900 -0.039 0.000 1.138 685 G CA 0.360 45.443 45.100 -0.029 0.000 0.782 685 G HN 0.744 nan 8.290 nan 0.000 0.535 686 Q N -0.816 118.954 119.800 -0.049 0.000 2.319 686 Q HA 0.090 4.430 4.340 -0.000 0.000 0.209 686 Q C -0.170 175.787 176.000 -0.072 0.000 0.884 686 Q CA -0.110 55.664 55.803 -0.048 0.000 0.938 686 Q CB 0.789 29.507 28.738 -0.033 0.000 1.098 686 Q HN 0.253 nan 8.270 nan 0.000 0.517 687 D N 0.214 120.546 120.400 -0.113 0.000 2.453 687 D HA 0.154 4.794 4.640 -0.000 0.000 0.238 687 D C -2.135 174.072 176.300 -0.154 0.000 1.088 687 D CA -2.191 51.721 54.000 -0.145 0.000 0.854 687 D CB 1.801 42.469 40.800 -0.220 0.000 1.076 687 D HN -0.184 nan 8.370 nan 0.000 0.533 688 P HA -0.184 nan 4.420 nan 0.000 0.216 688 P C 1.166 178.385 177.300 -0.135 0.000 1.154 688 P CA 1.069 64.104 63.100 -0.109 0.000 0.865 688 P CB 0.440 32.091 31.700 -0.082 0.000 0.789 689 E N -0.139 119.975 120.200 -0.144 0.000 2.038 689 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 689 E C 1.902 178.378 176.600 -0.207 0.000 1.000 689 E CA 1.244 57.556 56.400 -0.147 0.000 0.803 689 E CB -0.608 29.013 29.700 -0.131 0.000 0.750 689 E HN 0.131 nan 8.360 nan 0.000 0.448 690 L N 0.460 121.493 121.223 -0.316 0.000 2.083 690 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 690 L C 2.612 179.279 176.870 -0.339 0.000 1.083 690 L CA 0.687 55.255 54.840 -0.454 0.000 0.752 690 L CB -0.494 41.149 42.059 -0.693 0.000 0.899 690 L HN 0.117 nan 8.230 nan 0.000 0.433 691 V N -0.020 119.739 119.914 -0.258 0.000 2.307 691 V HA -0.275 3.845 4.120 -0.000 0.000 0.245 691 V C 2.739 178.697 176.094 -0.226 0.000 1.045 691 V CA 1.834 64.003 62.300 -0.219 0.000 1.024 691 V CB -0.642 31.099 31.823 -0.137 0.000 0.651 691 V HN 0.451 nan 8.190 nan 0.000 0.449 692 R N 0.257 120.645 120.500 -0.186 0.000 2.091 692 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 692 R C 2.237 178.397 176.300 -0.234 0.000 1.136 692 R CA 2.030 58.034 56.100 -0.161 0.000 0.959 692 R CB -0.280 29.949 30.300 -0.119 0.000 0.856 692 R HN 0.554 nan 8.270 nan 0.000 0.437 693 N N 0.767 119.278 118.700 -0.314 0.000 2.058 693 N HA -0.157 4.583 4.740 -0.000 0.000 0.191 693 N C 1.958 176.836 175.510 -1.054 0.000 1.037 693 N CA 1.593 54.324 53.050 -0.530 0.000 0.848 693 N CB -0.310 37.934 38.487 -0.404 0.000 1.021 693 N HN 0.286 nan 8.380 nan 0.000 0.422 694 I N 0.764 120.723 120.570 -1.019 0.000 2.264 694 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 694 I C 2.120 177.791 176.117 -0.742 0.000 1.111 694 I CA 0.806 61.410 61.300 -1.160 0.000 1.382 694 I CB -0.304 37.056 38.000 -1.067 0.000 1.060 694 I HN 0.153 nan 8.210 nan 0.000 0.418 695 C N 0.284 119.312 119.300 -0.453 0.000 2.435 695 C HA -0.098 4.362 4.460 -0.000 0.000 0.279 695 C C 2.905 177.841 174.990 -0.090 0.000 1.321 695 C CA 0.655 59.578 59.018 -0.159 0.000 1.752 695 C CB -1.212 26.549 27.740 0.034 0.000 1.959 695 C HN 0.418 nan 8.230 nan 0.000 0.500 696 R N -0.580 119.827 120.500 -0.155 0.000 2.073 696 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 696 R C 2.158 178.533 176.300 0.125 0.000 1.120 696 R CA 1.472 57.573 56.100 0.002 0.000 0.967 696 R CB -0.210 30.100 30.300 0.017 0.000 0.862 696 R HN 0.542 nan 8.270 nan 0.000 0.436 697 W N 0.137 121.364 121.300 -0.122 0.000 2.317 697 W HA -0.150 4.510 4.660 0.000 0.000 0.318 697 W C 2.037 178.466 176.519 -0.150 0.000 1.227 697 W CA 0.496 57.774 57.345 -0.112 0.000 1.269 697 W CB -1.252 28.143 29.460 -0.109 0.000 1.155 697 W HN -0.100 nan 8.180 nan 0.000 0.484 698 V N 0.730 120.611 119.914 -0.056 0.000 2.515 698 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 698 V C 2.470 178.340 176.094 -0.373 0.000 1.058 698 V CA 2.114 64.215 62.300 -0.331 0.000 1.064 698 V CB -0.890 30.445 31.823 -0.812 0.000 0.675 698 V HN 0.008 nan 8.190 nan 0.000 0.461 699 R N 1.613 121.994 120.500 -0.199 0.000 2.081 699 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 699 R C 2.316 178.662 176.300 0.076 0.000 1.131 699 R CA 2.162 58.326 56.100 0.107 0.000 0.960 699 R CB -0.557 29.882 30.300 0.231 0.000 0.856 699 R HN 0.762 nan 8.270 nan 0.000 0.436 700 Q N -1.468 118.365 119.800 0.056 0.000 2.432 700 Q HA 0.161 4.501 4.340 -0.000 0.000 0.205 700 Q C 1.539 177.558 176.000 0.031 0.000 0.945 700 Q CA 0.951 56.785 55.803 0.051 0.000 0.924 700 Q CB 0.136 28.909 28.738 0.058 0.000 1.016 700 Q HN 0.310 nan 8.270 nan 0.000 0.503 701 A N 1.395 124.224 122.820 0.015 0.000 1.943 701 A HA 0.235 4.555 4.320 -0.000 0.000 0.213 701 A C 1.193 178.786 177.584 0.016 0.000 1.181 701 A CA 0.840 52.885 52.037 0.013 0.000 0.653 701 A CB 0.056 19.067 19.000 0.018 0.000 0.833 701 A HN 0.339 nan 8.150 nan 0.000 0.451 702 V N -4.326 115.594 119.914 0.010 0.000 3.158 702 V HA 0.552 4.672 4.120 -0.000 0.000 0.315 702 V C 0.155 176.287 176.094 0.063 0.000 1.148 702 V CA -0.562 61.758 62.300 0.034 0.000 1.042 702 V CB 1.483 33.324 31.823 0.030 0.000 1.101 702 V HN 0.297 nan 8.190 nan 0.000 0.448 703 Q N 0.433 120.272 119.800 0.064 0.000 2.353 703 Q HA 0.417 4.757 4.340 -0.000 0.000 0.240 703 Q C 0.729 176.768 176.000 0.066 0.000 0.868 703 Q CA 0.166 56.009 55.803 0.066 0.000 0.944 703 Q CB 0.834 29.599 28.738 0.045 0.000 1.104 703 Q HN 0.871 nan 8.270 nan 0.000 0.531 704 I N 0.743 121.351 120.570 0.064 0.000 2.754 704 I HA 0.228 4.398 4.170 -0.000 0.000 0.285 704 I C -2.143 173.999 176.117 0.041 0.000 1.166 704 I CA -2.129 59.198 61.300 0.044 0.000 1.417 704 I CB -0.086 37.942 38.000 0.048 0.000 1.382 704 I HN -0.163 nan 8.210 nan 0.000 0.588 705 P HA 0.131 nan 4.420 nan 0.000 0.269 705 P C -1.071 176.012 177.300 -0.362 0.000 1.209 705 P CA 0.328 63.273 63.100 -0.258 0.000 0.776 705 P CB 0.452 31.963 31.700 -0.314 0.000 0.876 706 F N -0.026 119.552 119.950 -0.620 0.000 2.613 706 F HA 0.758 5.285 4.527 0.000 0.000 0.310 706 F C -1.547 173.811 175.800 -0.738 0.000 1.085 706 F CA -1.467 56.179 58.000 -0.589 0.000 0.945 706 F CB 1.118 39.987 39.000 -0.218 0.000 1.298 706 F HN 0.067 nan 8.300 nan 0.000 0.455 707 F N 1.099 121.095 119.950 0.076 0.000 2.593 707 F HA 0.835 5.362 4.527 -0.000 0.000 0.320 707 F C -0.064 175.791 175.800 0.091 0.000 1.060 707 F CA -1.475 56.502 58.000 -0.038 0.000 0.940 707 F CB 2.049 40.996 39.000 -0.087 0.000 1.268 707 F HN 0.837 nan 8.300 nan 0.000 0.475 708 A N 1.719 124.682 122.820 0.239 0.000 2.260 708 A HA 0.498 4.818 4.320 -0.000 0.000 0.314 708 A C -0.532 177.121 177.584 0.115 0.000 1.257 708 A CA -0.769 51.365 52.037 0.161 0.000 0.871 708 A CB 0.658 19.729 19.000 0.118 0.000 1.166 708 A HN 0.755 nan 8.150 nan 0.000 0.522 709 K N 4.229 124.686 120.400 0.096 0.000 2.250 709 K HA 0.423 4.743 4.320 -0.000 0.000 0.280 709 K C -0.726 175.900 176.600 0.044 0.000 1.098 709 K CA -0.243 56.079 56.287 0.058 0.000 0.916 709 K CB -0.058 32.475 32.500 0.055 0.000 1.209 709 K HN 0.733 nan 8.250 nan 0.000 0.461 710 L N 2.486 123.729 121.223 0.034 0.000 2.439 710 L HA 0.142 4.482 4.340 -0.000 0.000 0.269 710 L C 0.872 177.754 176.870 0.022 0.000 1.179 710 L CA -0.208 54.649 54.840 0.028 0.000 0.828 710 L CB 0.997 43.075 42.059 0.032 0.000 1.106 710 L HN 0.546 nan 8.230 nan 0.000 0.467 711 T N 2.010 116.575 114.554 0.018 0.000 2.867 711 T HA 0.357 4.707 4.350 -0.000 0.000 0.282 711 T C -1.528 173.180 174.700 0.014 0.000 1.000 711 T CA -1.844 60.265 62.100 0.016 0.000 1.042 711 T CB 1.456 70.333 68.868 0.014 0.000 0.973 711 T HN 0.474 nan 8.240 nan 0.000 0.465 712 P HA 0.042 nan 4.420 nan 0.000 0.231 712 P C 0.167 177.472 177.300 0.008 0.000 1.168 712 P CA 0.297 63.407 63.100 0.017 0.000 0.779 712 P CB 0.234 31.948 31.700 0.024 0.000 0.844 713 N N 1.463 120.165 118.700 0.003 0.000 3.210 713 N HA 0.129 4.869 4.740 -0.000 0.000 0.314 713 N C 0.193 175.696 175.510 -0.012 0.000 1.291 713 N CA 0.299 53.344 53.050 -0.007 0.000 1.202 713 N CB 0.149 38.629 38.487 -0.011 0.000 1.475 713 N HN 0.182 nan 8.380 nan 0.000 0.554 714 V N -3.598 116.311 119.914 -0.009 0.000 2.925 714 V HA 0.373 4.493 4.120 -0.000 0.000 0.311 714 V C 1.169 177.255 176.094 -0.012 0.000 1.104 714 V CA -0.833 61.459 62.300 -0.014 0.000 0.954 714 V CB 1.624 33.440 31.823 -0.013 0.000 1.022 714 V HN -0.026 nan 8.190 nan 0.000 0.427 715 T N 1.005 115.549 114.554 -0.016 0.000 2.833 715 T HA -0.039 4.311 4.350 -0.000 0.000 0.269 715 T C 0.354 175.048 174.700 -0.010 0.000 1.054 715 T CA 2.322 64.414 62.100 -0.014 0.000 1.135 715 T CB -0.271 68.586 68.868 -0.017 0.000 0.869 715 T HN 0.927 nan 8.240 nan 0.000 0.466 716 D N -0.607 119.786 120.400 -0.011 0.000 2.375 716 D HA 0.264 4.904 4.640 -0.000 0.000 0.241 716 D C 0.407 176.703 176.300 -0.006 0.000 1.361 716 D CA -0.435 53.560 54.000 -0.008 0.000 0.995 716 D CB 0.553 41.346 40.800 -0.012 0.000 1.312 716 D HN 0.049 nan 8.370 nan 0.000 0.576 717 I N 2.992 123.564 120.570 0.004 0.000 2.546 717 I HA -0.153 4.017 4.170 -0.000 0.000 0.255 717 I C 1.491 177.615 176.117 0.013 0.000 1.163 717 I CA 0.658 61.963 61.300 0.010 0.000 1.457 717 I CB 0.510 38.523 38.000 0.021 0.000 1.092 717 I HN 0.275 nan 8.210 nan 0.000 0.434 718 V N 0.892 120.812 119.914 0.011 0.000 2.594 718 V HA -0.252 3.868 4.120 -0.000 0.000 0.253 718 V C 2.609 178.697 176.094 -0.009 0.000 1.069 718 V CA 1.907 64.212 62.300 0.009 0.000 1.082 718 V CB -1.135 30.691 31.823 0.004 0.000 0.680 718 V HN 0.637 nan 8.190 nan 0.000 0.469 719 S N 0.565 116.255 115.700 -0.017 0.000 2.383 719 S HA -0.069 4.401 4.470 -0.000 0.000 0.227 719 S C 1.894 176.472 174.600 -0.037 0.000 1.026 719 S CA 1.401 59.582 58.200 -0.032 0.000 0.981 719 S CB -0.495 62.685 63.200 -0.033 0.000 0.818 719 S HN 0.571 nan 8.310 nan 0.000 0.472 720 I N 1.901 122.456 120.570 -0.025 0.000 2.617 720 I HA 0.042 4.212 4.170 -0.000 0.000 0.256 720 I C 2.931 179.044 176.117 -0.006 0.000 1.167 720 I CA 0.941 62.225 61.300 -0.027 0.000 1.469 720 I CB -0.924 37.064 38.000 -0.021 0.000 1.098 720 I HN 0.414 nan 8.210 nan 0.000 0.436 721 A N 1.285 124.115 122.820 0.017 0.000 1.929 721 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 721 A C 2.532 180.113 177.584 -0.005 0.000 1.176 721 A CA 1.124 53.204 52.037 0.071 0.000 0.628 721 A CB -0.498 18.565 19.000 0.105 0.000 0.816 721 A HN 0.295 nan 8.150 nan 0.000 0.444 722 R N -0.306 120.152 120.500 -0.070 0.000 2.066 722 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 722 R C 2.303 178.520 176.300 -0.139 0.000 1.131 722 R CA 1.320 57.328 56.100 -0.153 0.000 0.955 722 R CB -0.434 29.796 30.300 -0.116 0.000 0.851 722 R HN 0.397 nan 8.270 nan 0.000 0.432 723 A N 0.628 123.394 122.820 -0.090 0.000 2.032 723 A HA -0.182 4.138 4.320 -0.000 0.000 0.221 723 A C 2.217 179.755 177.584 -0.077 0.000 1.165 723 A CA 1.933 53.919 52.037 -0.085 0.000 0.645 723 A CB -0.581 18.369 19.000 -0.082 0.000 0.807 723 A HN 0.574 nan 8.150 nan 0.000 0.453 724 A N -0.732 122.060 122.820 -0.046 0.000 1.975 724 A HA 0.027 4.347 4.320 -0.000 0.000 0.215 724 A C 2.063 179.649 177.584 0.004 0.000 1.170 724 A CA 1.499 53.542 52.037 0.009 0.000 0.656 724 A CB -0.295 18.758 19.000 0.088 0.000 0.821 724 A HN 0.528 nan 8.150 nan 0.000 0.449 725 K N 0.237 120.559 120.400 -0.130 0.000 2.097 725 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 725 K C 1.667 178.158 176.600 -0.183 0.000 1.050 725 K CA 1.541 57.635 56.287 -0.321 0.000 0.938 725 K CB -0.129 31.819 32.500 -0.920 0.000 0.718 725 K HN 0.604 nan 8.250 nan 0.000 0.442 726 E N -0.608 119.502 120.200 -0.150 0.000 2.152 726 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 726 E C 1.834 178.402 176.600 -0.054 0.000 0.983 726 E CA 0.909 57.250 56.400 -0.099 0.000 0.818 726 E CB -0.026 29.618 29.700 -0.093 0.000 0.758 726 E HN 0.484 nan 8.360 nan 0.000 0.467 727 G N 0.025 108.799 108.800 -0.044 0.000 2.679 727 G HA2 0.047 4.007 3.960 -0.000 0.000 0.212 727 G HA3 0.047 4.007 3.960 -0.000 0.000 0.212 727 G C 1.078 176.013 174.900 0.058 0.000 1.137 727 G CA 0.529 45.618 45.100 -0.018 0.000 0.787 727 G HN 0.431 nan 8.290 nan 0.000 0.534 728 G N -1.324 107.507 108.800 0.052 0.000 2.231 728 G HA2 0.153 4.113 3.960 -0.000 0.000 0.206 728 G HA3 0.153 4.113 3.960 -0.000 0.000 0.206 728 G C 0.658 175.546 174.900 -0.019 0.000 0.996 728 G CA 0.275 45.426 45.100 0.085 0.000 0.645 728 G HN 1.333 nan 8.290 nan 0.000 0.498 729 A N 0.551 123.325 122.820 -0.076 0.000 2.555 729 A HA 0.429 4.749 4.320 -0.000 0.000 0.233 729 A C 1.009 178.407 177.584 -0.310 0.000 1.060 729 A CA 1.167 52.880 52.037 -0.540 0.000 0.759 729 A CB 0.177 19.106 19.000 -0.119 0.000 0.995 729 A HN 0.282 nan 8.150 nan 0.000 0.506 730 D N 0.533 120.586 120.400 -0.580 0.000 2.339 730 D HA 0.318 4.958 4.640 -0.000 0.000 0.217 730 D C 0.729 176.953 176.300 -0.128 0.000 1.050 730 D CA 1.432 55.274 54.000 -0.263 0.000 0.856 730 D CB 0.394 40.947 40.800 -0.411 0.000 0.922 730 D HN 0.860 nan 8.370 nan 0.000 0.518 731 G N 0.091 108.792 108.800 -0.165 0.000 2.316 731 G HA2 0.336 4.296 3.960 -0.000 0.000 0.296 731 G HA3 0.336 4.296 3.960 -0.000 0.000 0.296 731 G C -1.422 173.373 174.900 -0.175 0.000 1.399 731 G CA -0.517 44.268 45.100 -0.526 0.000 0.833 731 G HN 0.031 nan 8.290 nan 0.000 0.565 732 V N -2.518 117.186 119.914 -0.349 0.000 2.823 732 V HA 0.921 5.041 4.120 -0.000 0.000 0.312 732 V C -0.084 175.921 176.094 -0.149 0.000 1.072 732 V CA -0.858 61.395 62.300 -0.078 0.000 0.937 732 V CB 1.698 33.552 31.823 0.051 0.000 1.013 732 V HN 0.894 nan 8.190 nan 0.000 0.430 733 T N 3.048 117.559 114.554 -0.071 0.000 2.767 733 T HA 0.784 5.134 4.350 -0.000 0.000 0.284 733 T C -0.092 174.577 174.700 -0.053 0.000 0.973 733 T CA 0.170 62.207 62.100 -0.104 0.000 0.996 733 T CB 1.135 69.965 68.868 -0.064 0.000 0.927 733 T HN 1.398 nan 8.240 nan 0.000 0.456 734 A N 3.139 125.919 122.820 -0.067 0.000 2.381 734 A HA 0.819 5.139 4.320 -0.000 0.000 0.299 734 A C 0.141 177.695 177.584 -0.050 0.000 1.049 734 A CA -0.797 51.223 52.037 -0.028 0.000 0.715 734 A CB 1.235 20.238 19.000 0.004 0.000 1.222 734 A HN 0.825 nan 8.150 nan 0.000 0.428 735 T N -0.503 114.033 114.554 -0.031 0.000 2.838 735 T HA 0.545 4.895 4.350 -0.000 0.000 0.292 735 T C -0.117 174.581 174.700 -0.005 0.000 1.113 735 T CA -0.898 61.200 62.100 -0.003 0.000 1.008 735 T CB 1.335 70.216 68.868 0.022 0.000 1.259 735 T HN 0.497 nan 8.240 nan 0.000 0.520 736 N N 0.507 119.212 118.700 0.008 0.000 2.366 736 N HA 0.280 5.020 4.740 -0.000 0.000 0.277 736 N C 0.194 175.715 175.510 0.018 0.000 1.275 736 N CA 0.126 53.182 53.050 0.011 0.000 0.964 736 N CB 1.264 39.761 38.487 0.017 0.000 1.167 736 N HN 0.976 nan 8.380 nan 0.000 0.568 737 T N -1.596 112.971 114.554 0.022 0.000 2.932 737 T HA 0.174 4.524 4.350 -0.000 0.000 0.312 737 T C 0.415 175.133 174.700 0.030 0.000 1.071 737 T CA -0.601 61.517 62.100 0.031 0.000 1.128 737 T CB 0.210 69.099 68.868 0.035 0.000 0.984 737 T HN 0.106 nan 8.240 nan 0.000 0.549 738 V N 3.341 123.275 119.914 0.033 0.000 2.498 738 V HA 0.294 4.414 4.120 -0.000 0.000 0.279 738 V C 0.957 177.067 176.094 0.027 0.000 1.048 738 V CA -0.517 61.798 62.300 0.026 0.000 0.967 738 V CB 1.328 33.167 31.823 0.027 0.000 0.988 738 V HN 1.123 nan 8.190 nan 0.000 0.473 739 S N 3.469 119.179 115.700 0.016 0.000 2.510 739 S HA 0.611 5.081 4.470 -0.000 0.000 0.279 739 S C 0.258 174.868 174.600 0.016 0.000 1.284 739 S CA 0.382 58.593 58.200 0.018 0.000 1.059 739 S CB 0.001 63.192 63.200 -0.015 0.000 0.901 739 S HN 1.200 nan 8.310 nan 0.000 0.491 740 G N 2.901 111.739 108.800 0.062 0.000 2.559 740 G HA2 0.512 4.472 3.960 -0.000 0.000 0.291 740 G HA3 0.512 4.472 3.960 -0.000 0.000 0.291 740 G C -2.233 172.753 174.900 0.143 0.000 1.424 740 G CA -0.742 44.403 45.100 0.076 0.000 0.786 740 G HN 0.683 nan 8.290 nan 0.000 0.485 741 L N 0.332 121.638 121.223 0.138 0.000 2.341 741 L HA 0.660 5.000 4.340 -0.000 0.000 0.278 741 L C 1.036 177.956 176.870 0.083 0.000 1.005 741 L CA -0.793 54.128 54.840 0.134 0.000 0.818 741 L CB 1.968 44.128 42.059 0.167 0.000 1.259 741 L HN 0.591 nan 8.230 nan 0.000 0.418 742 M N 2.842 122.483 119.600 0.068 0.000 2.561 742 M HA 0.477 4.957 4.480 -0.000 0.000 0.238 742 M C 0.401 176.749 176.300 0.080 0.000 1.131 742 M CA 0.343 55.682 55.300 0.065 0.000 1.046 742 M CB -0.544 32.094 32.600 0.064 0.000 1.532 742 M HN 0.666 nan 8.290 nan 0.000 0.497 743 G N -0.732 108.118 108.800 0.083 0.000 2.355 743 G HA2 0.197 4.157 3.960 -0.000 0.000 0.619 743 G HA3 0.197 4.157 3.960 -0.000 0.000 0.619 743 G C -1.867 173.094 174.900 0.101 0.000 1.337 743 G CA -0.984 44.167 45.100 0.085 0.000 0.993 743 G HN 0.248 nan 8.290 nan 0.000 0.599 744 L N -0.324 120.948 121.223 0.083 0.000 2.359 744 L HA 0.622 4.962 4.340 -0.000 0.000 0.256 744 L C 0.545 177.452 176.870 0.062 0.000 1.026 744 L CA -1.256 53.632 54.840 0.080 0.000 0.828 744 L CB 2.288 44.379 42.059 0.055 0.000 1.406 744 L HN 0.620 nan 8.230 nan 0.000 0.413 745 K N 0.043 120.475 120.400 0.053 0.000 2.179 745 K HA 0.475 4.795 4.320 -0.000 0.000 0.238 745 K C 0.854 177.462 176.600 0.014 0.000 1.033 745 K CA -0.160 56.139 56.287 0.020 0.000 0.926 745 K CB 0.807 33.310 32.500 0.005 0.000 1.151 745 K HN 0.691 nan 8.250 nan 0.000 0.492 746 A N 1.234 124.055 122.820 0.001 0.000 1.972 746 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 746 A C 1.417 179.003 177.584 0.004 0.000 1.169 746 A CA 2.182 54.219 52.037 0.001 0.000 0.635 746 A CB -0.756 18.241 19.000 -0.007 0.000 0.810 746 A HN 0.844 nan 8.150 nan 0.000 0.446 747 D N -2.503 117.900 120.400 0.004 0.000 2.363 747 D HA 0.289 4.929 4.640 -0.000 0.000 0.226 747 D C 1.187 177.495 176.300 0.013 0.000 1.020 747 D CA 1.035 55.039 54.000 0.006 0.000 0.892 747 D CB -0.402 40.400 40.800 0.004 0.000 0.900 747 D HN 0.711 nan 8.370 nan 0.000 0.531 748 G N -0.112 108.699 108.800 0.018 0.000 2.217 748 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.246 748 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.246 748 G C 0.572 175.492 174.900 0.032 0.000 0.990 748 G CA 0.451 45.565 45.100 0.023 0.000 0.627 748 G HN 0.862 nan 8.290 nan 0.000 0.522 749 T N 1.076 115.653 114.554 0.038 0.000 2.918 749 T HA 0.604 4.954 4.350 -0.000 0.000 0.302 749 T C -1.264 173.486 174.700 0.084 0.000 1.045 749 T CA -0.506 61.626 62.100 0.054 0.000 1.114 749 T CB 2.495 71.398 68.868 0.059 0.000 0.965 749 T HN 0.308 nan 8.240 nan 0.000 0.540 750 P HA 0.294 nan 4.420 nan 0.000 0.312 750 P C -1.002 176.459 177.300 0.270 0.000 1.308 750 P CA -0.779 62.398 63.100 0.128 0.000 0.743 750 P CB 0.838 32.571 31.700 0.056 0.000 1.364 751 W N 0.557 121.859 121.300 0.002 0.000 4.000 751 W HA 0.208 4.868 4.660 -0.000 0.000 0.302 751 W C -2.863 173.664 176.519 0.014 0.000 1.206 751 W CA -1.700 55.651 57.345 0.010 0.000 1.286 751 W CB 1.646 31.117 29.460 0.018 0.000 1.234 751 W HN 0.244 nan 8.180 nan 0.000 0.477 752 P HA 0.238 nan 4.420 nan 0.000 0.269 752 P C -0.744 176.366 177.300 -0.317 0.000 1.209 752 P CA 0.170 62.698 63.100 -0.954 0.000 0.776 752 P CB 1.333 32.584 31.700 -0.747 0.000 0.876 753 A N 3.385 126.115 122.820 -0.150 0.000 2.323 753 A HA 0.455 4.775 4.320 -0.000 0.000 0.305 753 A C -0.334 177.257 177.584 0.012 0.000 1.275 753 A CA -0.680 51.388 52.037 0.052 0.000 0.804 753 A CB 0.591 19.734 19.000 0.238 0.000 1.152 753 A HN 0.327 nan 8.150 nan 0.000 0.487 754 V N 2.642 122.538 119.914 -0.031 0.000 2.432 754 V HA 0.662 4.782 4.120 -0.000 0.000 0.275 754 V C 1.080 177.174 176.094 0.000 0.000 1.043 754 V CA 0.982 63.266 62.300 -0.027 0.000 0.925 754 V CB 0.374 32.167 31.823 -0.050 0.000 0.985 754 V HN 1.932 nan 8.190 nan 0.000 0.466 755 G N 4.305 113.112 108.800 0.011 0.000 2.846 755 G HA2 0.103 4.063 3.960 -0.000 0.000 0.660 755 G HA3 0.103 4.063 3.960 -0.000 0.000 0.660 755 G C 0.719 175.634 174.900 0.025 0.000 1.464 755 G CA -0.027 45.082 45.100 0.015 0.000 0.891 755 G HN 1.532 nan 8.290 nan 0.000 0.552 756 A N -0.215 122.617 122.820 0.021 0.000 2.172 756 A HA 0.355 4.675 4.320 -0.000 0.000 0.216 756 A C 2.559 180.154 177.584 0.020 0.000 1.154 756 A CA 2.208 54.258 52.037 0.022 0.000 0.701 756 A CB -0.442 18.568 19.000 0.016 0.000 0.789 756 A HN 2.282 nan 8.150 nan 0.000 0.465 757 G N -1.098 107.711 108.800 0.015 0.000 2.880 757 G HA2 0.180 4.140 3.960 -0.000 0.000 0.209 757 G HA3 0.180 4.140 3.960 -0.000 0.000 0.209 757 G C 0.595 175.504 174.900 0.015 0.000 1.157 757 G CA 0.183 45.290 45.100 0.011 0.000 0.779 757 G HN 0.485 nan 8.290 nan 0.000 0.539 758 K N 0.034 120.449 120.400 0.025 0.000 3.278 758 K HA -0.196 4.124 4.320 -0.000 0.000 0.270 758 K C 0.344 176.955 176.600 0.019 0.000 0.955 758 K CA 0.462 56.772 56.287 0.039 0.000 0.723 758 K CB -0.903 31.629 32.500 0.053 0.000 1.382 758 K HN 0.463 nan 8.250 nan 0.000 0.461 759 R N -0.254 120.245 120.500 -0.003 0.000 2.607 759 R HA 0.641 4.981 4.340 -0.000 0.000 0.261 759 R C 0.418 176.689 176.300 -0.048 0.000 1.051 759 R CA -0.586 55.498 56.100 -0.026 0.000 1.110 759 R CB 1.875 32.157 30.300 -0.031 0.000 1.158 759 R HN 0.230 nan 8.270 nan 0.000 0.543 760 T N -1.221 113.286 114.554 -0.079 0.000 2.693 760 T HA 0.322 4.672 4.350 -0.000 0.000 0.304 760 T C -1.464 173.139 174.700 -0.161 0.000 1.471 760 T CA -0.413 61.621 62.100 -0.110 0.000 0.993 760 T CB 1.936 70.740 68.868 -0.107 0.000 1.554 760 T HN 0.557 nan 8.240 nan 0.000 0.496 761 T N -0.079 114.365 114.554 -0.184 0.000 2.841 761 T HA 0.649 4.999 4.350 -0.000 0.000 0.296 761 T C -1.477 173.067 174.700 -0.261 0.000 1.166 761 T CA -0.498 61.441 62.100 -0.269 0.000 1.007 761 T CB 0.687 69.472 68.868 -0.139 0.000 1.253 761 T HN 0.505 nan 8.240 nan 0.000 0.511 762 Y N 1.144 121.439 120.300 -0.007 0.000 2.650 762 Y HA 0.418 4.968 4.550 0.000 0.000 0.331 762 Y C 1.364 177.259 175.900 -0.008 0.000 1.165 762 Y CA 0.307 58.404 58.100 -0.004 0.000 1.473 762 Y CB 0.372 38.833 38.460 0.001 0.000 1.224 762 Y HN 0.750 nan 8.280 nan 0.000 0.533 763 G N 1.393 110.266 108.800 0.120 0.000 2.642 763 G HA2 0.595 4.555 3.960 -0.000 0.000 0.291 763 G HA3 0.595 4.555 3.960 -0.000 0.000 0.291 763 G C -0.509 174.434 174.900 0.072 0.000 1.345 763 G CA -0.720 44.417 45.100 0.063 0.000 1.043 763 G HN 0.804 nan 8.290 nan 0.000 0.528 764 G N -1.283 107.546 108.800 0.049 0.000 2.416 764 G HA2 0.493 4.453 3.960 -0.000 0.000 0.324 764 G HA3 0.493 4.453 3.960 -0.000 0.000 0.324 764 G C -0.923 174.011 174.900 0.056 0.000 1.194 764 G CA -0.269 44.861 45.100 0.049 0.000 0.922 764 G HN 0.569 nan 8.290 nan 0.000 0.467 765 V N 2.311 122.259 119.914 0.057 0.000 2.406 765 V HA 0.567 4.687 4.120 -0.000 0.000 0.272 765 V C 0.493 176.630 176.094 0.072 0.000 1.043 765 V CA -0.361 61.978 62.300 0.064 0.000 0.915 765 V CB 0.633 32.486 31.823 0.049 0.000 0.988 765 V HN 0.976 nan 8.190 nan 0.000 0.466 766 S N 3.304 119.067 115.700 0.105 0.000 2.671 766 S HA 1.030 5.500 4.470 -0.000 0.000 0.299 766 S C -0.060 174.629 174.600 0.149 0.000 1.116 766 S CA -0.091 58.178 58.200 0.114 0.000 0.912 766 S CB 2.182 65.452 63.200 0.117 0.000 1.130 766 S HN 1.969 nan 8.310 nan 0.000 0.501 767 G N 0.446 109.331 108.800 0.142 0.000 2.422 767 G HA2 0.013 3.973 3.960 -0.000 0.000 0.607 767 G HA3 0.013 3.973 3.960 -0.000 0.000 0.607 767 G C 0.489 175.446 174.900 0.094 0.000 1.270 767 G CA 0.406 45.592 45.100 0.142 0.000 0.992 767 G HN 1.730 nan 8.290 nan 0.000 0.499 768 T N -1.201 113.398 114.554 0.076 0.000 2.881 768 T HA 0.204 4.554 4.350 -0.000 0.000 0.270 768 T C 2.552 177.282 174.700 0.051 0.000 1.068 768 T CA 2.256 64.396 62.100 0.068 0.000 1.131 768 T CB -0.320 68.578 68.868 0.051 0.000 0.871 768 T HN 2.005 nan 8.240 nan 0.000 0.479 769 A N 1.861 124.699 122.820 0.030 0.000 2.125 769 A HA 0.205 4.525 4.320 -0.000 0.000 0.219 769 A C 2.167 179.773 177.584 0.036 0.000 1.156 769 A CA 1.157 53.206 52.037 0.021 0.000 0.671 769 A CB -0.863 18.138 19.000 0.001 0.000 0.794 769 A HN 0.891 nan 8.150 nan 0.000 0.459 770 I N -5.202 115.402 120.570 0.056 0.000 4.025 770 I HA 0.329 4.499 4.170 -0.000 0.000 0.336 770 I C 1.594 177.767 176.117 0.094 0.000 1.390 770 I CA -0.137 61.201 61.300 0.063 0.000 1.099 770 I CB 0.139 38.175 38.000 0.061 0.000 1.049 770 I HN 0.125 nan 8.210 nan 0.000 0.394 771 R N 2.220 122.788 120.500 0.113 0.000 2.081 771 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 771 R C -0.591 175.792 176.300 0.139 0.000 1.131 771 R CA 1.857 58.066 56.100 0.183 0.000 0.960 771 R CB -1.114 29.293 30.300 0.178 0.000 0.856 771 R HN 0.297 nan 8.270 nan 0.000 0.436 772 P HA -0.136 nan 4.420 nan 0.000 0.219 772 P C 0.972 178.301 177.300 0.049 0.000 1.146 772 P CA 1.289 64.412 63.100 0.038 0.000 0.808 772 P CB 0.033 31.748 31.700 0.025 0.000 0.779 773 I N -1.161 119.449 120.570 0.067 0.000 2.339 773 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 773 I C 2.286 178.460 176.117 0.095 0.000 1.096 773 I CA 1.113 62.451 61.300 0.064 0.000 1.408 773 I CB -0.774 37.258 38.000 0.053 0.000 1.092 773 I HN -0.106 nan 8.210 nan 0.000 0.423 774 A N 1.012 123.918 122.820 0.144 0.000 1.902 774 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 774 A C 2.332 180.107 177.584 0.318 0.000 1.181 774 A CA 1.323 53.485 52.037 0.207 0.000 0.623 774 A CB -0.807 18.323 19.000 0.218 0.000 0.818 774 A HN 0.350 nan 8.150 nan 0.000 0.443 775 L N -1.003 120.379 121.223 0.265 0.000 2.017 775 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 775 L C 2.865 179.757 176.870 0.037 0.000 1.073 775 L CA 1.898 56.756 54.840 0.030 0.000 0.745 775 L CB -0.433 41.493 42.059 -0.221 0.000 0.894 775 L HN 0.530 nan 8.230 nan 0.000 0.432 776 R N 0.175 120.698 120.500 0.039 0.000 2.082 776 R HA -0.240 4.100 4.340 -0.000 0.000 0.234 776 R C 2.283 178.615 176.300 0.053 0.000 1.136 776 R CA 1.790 57.910 56.100 0.034 0.000 0.935 776 R CB -0.433 29.886 30.300 0.032 0.000 0.842 776 R HN 0.351 nan 8.270 nan 0.000 0.430 777 A N 0.506 123.368 122.820 0.071 0.000 1.896 777 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 777 A C 2.370 180.003 177.584 0.080 0.000 1.206 777 A CA 2.292 54.372 52.037 0.071 0.000 0.647 777 A CB -0.972 18.074 19.000 0.076 0.000 0.828 777 A HN 0.295 nan 8.150 nan 0.000 0.455 778 V N 0.385 120.370 119.914 0.119 0.000 2.295 778 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 778 V C 3.017 179.159 176.094 0.080 0.000 1.049 778 V CA 2.565 64.938 62.300 0.122 0.000 1.024 778 V CB -1.490 30.474 31.823 0.235 0.000 0.648 778 V HN 0.880 nan 8.190 nan 0.000 0.447 779 T N -3.203 111.385 114.554 0.058 0.000 2.833 779 T HA -0.241 4.109 4.350 -0.000 0.000 0.269 779 T C 1.892 176.614 174.700 0.036 0.000 1.054 779 T CA 2.080 64.201 62.100 0.035 0.000 1.135 779 T CB -0.608 68.269 68.868 0.015 0.000 0.869 779 T HN 0.444 nan 8.240 nan 0.000 0.466 780 T N 0.809 115.387 114.554 0.039 0.000 2.812 780 T HA 0.159 4.509 4.350 -0.000 0.000 0.264 780 T C 1.886 176.610 174.700 0.040 0.000 1.042 780 T CA 0.726 62.846 62.100 0.035 0.000 1.140 780 T CB -0.540 68.347 68.868 0.031 0.000 0.870 780 T HN 0.483 nan 8.240 nan 0.000 0.445 781 I N 1.133 121.736 120.570 0.054 0.000 2.493 781 I HA -0.026 4.144 4.170 -0.000 0.000 0.254 781 I C 2.776 178.941 176.117 0.081 0.000 1.160 781 I CA 0.866 62.210 61.300 0.073 0.000 1.445 781 I CB -0.359 37.698 38.000 0.095 0.000 1.086 781 I HN 0.274 nan 8.210 nan 0.000 0.433 782 A N 0.859 123.718 122.820 0.064 0.000 2.015 782 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 782 A C 2.342 179.951 177.584 0.042 0.000 1.163 782 A CA 1.190 53.261 52.037 0.056 0.000 0.646 782 A CB -0.334 18.692 19.000 0.043 0.000 0.806 782 A HN 0.341 nan 8.150 nan 0.000 0.448 783 R N -0.942 119.577 120.500 0.031 0.000 2.156 783 R HA 0.210 4.550 4.340 -0.000 0.000 0.207 783 R C 2.416 178.724 176.300 0.013 0.000 1.040 783 R CA 0.815 56.925 56.100 0.017 0.000 1.013 783 R CB -0.241 30.066 30.300 0.011 0.000 0.931 783 R HN 0.446 nan 8.270 nan 0.000 0.465 784 A N 1.488 124.319 122.820 0.018 0.000 1.854 784 A HA 0.004 4.324 4.320 -0.000 0.000 0.214 784 A C 1.225 178.807 177.584 -0.004 0.000 1.192 784 A CA 0.865 52.904 52.037 0.004 0.000 0.611 784 A CB -0.126 18.876 19.000 0.003 0.000 0.832 784 A HN 0.146 nan 8.150 nan 0.000 0.442 785 L N 1.613 122.848 121.223 0.019 0.000 2.603 785 L HA 0.284 4.624 4.340 -0.000 0.000 0.242 785 L C -2.507 174.412 176.870 0.081 0.000 1.169 785 L CA -1.939 52.907 54.840 0.010 0.000 1.029 785 L CB 0.670 42.707 42.059 -0.038 0.000 1.361 785 L HN 0.142 nan 8.230 nan 0.000 0.439 786 P HA -0.023 nan 4.420 nan 0.000 0.265 786 P C 1.032 178.378 177.300 0.075 0.000 1.187 786 P CA 1.218 64.349 63.100 0.051 0.000 0.766 786 P CB 1.286 32.998 31.700 0.020 0.000 0.820 787 G N 2.378 111.221 108.800 0.072 0.000 2.304 787 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.252 787 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.252 787 G C 0.005 174.979 174.900 0.124 0.000 1.014 787 G CA -0.038 45.105 45.100 0.072 0.000 0.619 787 G HN 0.558 nan 8.290 nan 0.000 0.525 788 F N 4.240 124.179 119.950 -0.018 0.000 2.533 788 F HA 0.512 5.039 4.527 -0.000 0.000 0.378 788 F C -1.579 174.208 175.800 -0.022 0.000 1.070 788 F CA -2.630 55.359 58.000 -0.018 0.000 1.172 788 F CB 0.448 39.437 39.000 -0.019 0.000 1.085 788 F HN -0.038 nan 8.300 nan 0.000 0.552 789 P HA 0.083 nan 4.420 nan 0.000 0.261 789 P C -0.745 176.244 177.300 -0.519 0.000 1.183 789 P CA 0.669 63.526 63.100 -0.405 0.000 0.761 789 P CB 0.204 31.723 31.700 -0.301 0.000 0.785 790 I N 4.250 124.612 120.570 -0.348 0.000 2.447 790 I HA 0.233 4.403 4.170 -0.000 0.000 0.287 790 I C -0.527 175.395 176.117 -0.325 0.000 1.023 790 I CA -0.949 60.172 61.300 -0.298 0.000 1.083 790 I CB 1.622 39.534 38.000 -0.146 0.000 1.245 790 I HN 0.027 nan 8.210 nan 0.000 0.434 791 L N 6.264 127.259 121.223 -0.381 0.000 2.259 791 L HA 0.529 4.869 4.340 -0.000 0.000 0.288 791 L C 0.632 177.356 176.870 -0.242 0.000 1.051 791 L CA 0.078 54.691 54.840 -0.377 0.000 0.824 791 L CB 1.133 42.908 42.059 -0.473 0.000 1.206 791 L HN 0.653 nan 8.230 nan 0.000 0.429 792 A N 2.419 125.101 122.820 -0.230 0.000 2.371 792 A HA 0.703 5.023 4.320 -0.000 0.000 0.257 792 A C 0.284 177.660 177.584 -0.347 0.000 1.089 792 A CA -0.091 51.767 52.037 -0.298 0.000 0.794 792 A CB 0.638 19.402 19.000 -0.392 0.000 1.029 792 A HN 0.633 nan 8.150 nan 0.000 0.488 793 T N -0.476 113.851 114.554 -0.380 0.000 3.578 793 T HA 0.567 4.917 4.350 -0.000 0.000 0.343 793 T C -0.563 173.998 174.700 -0.232 0.000 1.126 793 T CA 0.518 62.458 62.100 -0.268 0.000 1.092 793 T CB 0.490 69.288 68.868 -0.117 0.000 1.160 793 T HN 2.460 nan 8.240 nan 0.000 0.469 794 G N 1.496 110.173 108.800 -0.204 0.000 2.299 794 G HA2 0.487 4.447 3.960 -0.000 0.000 0.219 794 G HA3 0.487 4.447 3.960 -0.000 0.000 0.219 794 G C 0.753 175.670 174.900 0.027 0.000 2.786 794 G CA 0.501 45.567 45.100 -0.057 0.000 1.025 794 G HN 2.164 nan 8.290 nan 0.000 0.582 795 G N -0.097 108.735 108.800 0.054 0.000 2.157 795 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.239 795 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.239 795 G C 0.509 175.485 174.900 0.126 0.000 0.982 795 G CA 0.121 45.290 45.100 0.116 0.000 0.650 795 G HN 1.264 nan 8.290 nan 0.000 0.527 796 I N 1.730 122.333 120.570 0.056 0.000 2.471 796 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 796 I C 0.722 176.868 176.117 0.048 0.000 1.079 796 I CA 0.628 61.962 61.300 0.057 0.000 1.398 796 I CB 0.966 38.957 38.000 -0.014 0.000 1.403 796 I HN 0.299 nan 8.210 nan 0.000 0.530 797 D N 2.525 122.929 120.400 0.007 0.000 2.523 797 D HA 0.089 4.729 4.640 -0.000 0.000 0.269 797 D C -0.219 176.075 176.300 -0.009 0.000 1.374 797 D CA -0.146 53.889 54.000 0.059 0.000 0.820 797 D CB 0.215 41.092 40.800 0.129 0.000 1.211 797 D HN 0.457 nan 8.370 nan 0.000 0.502 798 S N -1.865 113.679 115.700 -0.260 0.000 2.595 798 S HA 0.639 5.109 4.470 -0.000 0.000 0.270 798 S C 0.944 175.409 174.600 -0.225 0.000 1.145 798 S CA -0.476 57.608 58.200 -0.194 0.000 0.825 798 S CB 1.168 64.376 63.200 0.013 0.000 1.107 798 S HN 0.192 nan 8.310 nan 0.000 0.461 799 A N 1.242 124.012 122.820 -0.084 0.000 1.865 799 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 799 A C 1.991 179.626 177.584 0.086 0.000 1.191 799 A CA 2.035 54.120 52.037 0.080 0.000 0.623 799 A CB -1.197 17.872 19.000 0.116 0.000 0.826 799 A HN 0.964 nan 8.150 nan 0.000 0.444 800 E N 0.668 120.894 120.200 0.042 0.000 2.058 800 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 800 E C 2.279 178.894 176.600 0.026 0.000 0.997 800 E CA 2.164 58.582 56.400 0.029 0.000 0.801 800 E CB -0.263 29.450 29.700 0.022 0.000 0.746 800 E HN 0.696 nan 8.360 nan 0.000 0.450 801 S N -0.147 115.577 115.700 0.041 0.000 2.368 801 S HA -0.071 4.399 4.470 -0.000 0.000 0.225 801 S C 2.288 176.978 174.600 0.149 0.000 1.030 801 S CA 1.255 59.502 58.200 0.078 0.000 0.999 801 S CB -1.093 62.171 63.200 0.108 0.000 0.844 801 S HN 0.384 nan 8.310 nan 0.000 0.459 802 G N 2.163 111.048 108.800 0.142 0.000 2.469 802 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.219 802 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.219 802 G C 1.381 176.322 174.900 0.069 0.000 1.150 802 G CA 1.126 46.323 45.100 0.162 0.000 0.763 802 G HN 0.500 nan 8.290 nan 0.000 0.561 803 L N 0.511 121.726 121.223 -0.013 0.000 2.191 803 L HA -0.032 4.308 4.340 -0.000 0.000 0.212 803 L C 2.721 179.440 176.870 -0.252 0.000 1.103 803 L CA 1.768 56.497 54.840 -0.186 0.000 0.769 803 L CB -0.610 41.320 42.059 -0.216 0.000 0.908 803 L HN 0.349 nan 8.230 nan 0.000 0.438 804 Q N -1.589 118.147 119.800 -0.107 0.000 2.167 804 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 804 Q C 2.092 177.991 176.000 -0.167 0.000 0.970 804 Q CA 1.726 57.459 55.803 -0.117 0.000 0.855 804 Q CB -0.178 28.462 28.738 -0.163 0.000 0.911 804 Q HN 0.526 nan 8.270 nan 0.000 0.438 805 F N 0.136 120.063 119.950 -0.037 0.000 2.293 805 F HA -0.076 4.451 4.527 0.000 0.000 0.297 805 F C 1.913 177.686 175.800 -0.046 0.000 1.089 805 F CA 0.616 58.596 58.000 -0.033 0.000 1.377 805 F CB 0.054 39.023 39.000 -0.051 0.000 1.051 805 F HN -0.006 nan 8.300 nan 0.000 0.511 806 L N -0.920 120.342 121.223 0.066 0.000 2.027 806 L HA -0.240 4.100 4.340 -0.000 0.000 0.206 806 L C 2.177 179.097 176.870 0.083 0.000 1.074 806 L CA 1.552 56.395 54.840 0.005 0.000 0.745 806 L CB -0.972 41.034 42.059 -0.087 0.000 0.898 806 L HN 0.211 nan 8.230 nan 0.000 0.433 807 H N -1.213 117.857 119.070 0.001 0.000 2.518 807 H HA -0.079 4.477 4.556 0.000 0.000 0.292 807 H C 1.605 176.930 175.328 -0.007 0.000 1.068 807 H CA 0.612 56.660 56.048 -0.001 0.000 1.275 807 H CB 0.281 30.043 29.762 -0.000 0.000 1.375 807 H HN 0.231 nan 8.280 nan 0.000 0.563 808 S N -0.936 114.824 115.700 0.100 0.000 2.572 808 S HA 0.202 4.672 4.470 -0.000 0.000 0.228 808 S C 1.368 176.000 174.600 0.053 0.000 0.963 808 S CA 0.482 58.709 58.200 0.046 0.000 0.939 808 S CB 1.078 64.262 63.200 -0.027 0.000 0.804 808 S HN 0.745 nan 8.310 nan 0.000 0.480 809 G N 1.104 109.937 108.800 0.056 0.000 2.179 809 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.220 809 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.220 809 G C 0.143 175.046 174.900 0.004 0.000 0.990 809 G CA -0.241 44.878 45.100 0.031 0.000 0.646 809 G HN 0.778 nan 8.290 nan 0.000 0.517 810 A N 0.109 122.941 122.820 0.019 0.000 2.316 810 A HA 0.831 5.151 4.320 -0.000 0.000 0.284 810 A C 1.239 178.759 177.584 -0.107 0.000 1.115 810 A CA 0.968 52.978 52.037 -0.046 0.000 0.812 810 A CB 1.069 20.072 19.000 0.006 0.000 1.064 810 A HN 0.758 nan 8.150 nan 0.000 0.489 811 S N -0.774 114.804 115.700 -0.203 0.000 2.514 811 S HA 0.249 4.719 4.470 -0.000 0.000 0.223 811 S C 0.464 174.841 174.600 -0.370 0.000 1.046 811 S CA 0.678 58.727 58.200 -0.251 0.000 0.914 811 S CB 0.106 63.147 63.200 -0.264 0.000 0.807 811 S HN 1.303 nan 8.310 nan 0.000 0.497 812 V N -0.090 119.563 119.914 -0.435 0.000 3.007 812 V HA 0.711 4.831 4.120 -0.000 0.000 0.311 812 V C -1.599 174.344 176.094 -0.252 0.000 1.120 812 V CA -1.257 60.752 62.300 -0.486 0.000 0.980 812 V CB 1.683 32.897 31.823 -1.015 0.000 1.033 812 V HN 0.135 nan 8.190 nan 0.000 0.429 813 L N 2.600 123.762 121.223 -0.101 0.000 2.325 813 L HA 0.637 4.977 4.340 -0.000 0.000 0.281 813 L C -0.011 176.941 176.870 0.136 0.000 1.004 813 L CA -0.449 54.356 54.840 -0.058 0.000 0.823 813 L CB 1.510 43.476 42.059 -0.155 0.000 1.236 813 L HN 0.696 nan 8.230 nan 0.000 0.415 814 Q N 1.982 121.832 119.800 0.083 0.000 2.259 814 Q HA 0.665 5.005 4.340 -0.000 0.000 0.246 814 Q C -0.901 175.138 176.000 0.065 0.000 0.920 814 Q CA -0.568 55.293 55.803 0.098 0.000 0.895 814 Q CB 2.777 31.560 28.738 0.075 0.000 1.220 814 Q HN 0.440 nan 8.270 nan 0.000 0.439 815 V N 0.900 120.870 119.914 0.092 0.000 2.876 815 V HA 0.380 4.500 4.120 -0.000 0.000 0.312 815 V C -0.267 175.853 176.094 0.043 0.000 1.085 815 V CA -0.534 61.849 62.300 0.139 0.000 0.945 815 V CB 1.793 33.862 31.823 0.411 0.000 1.017 815 V HN 1.129 nan 8.190 nan 0.000 0.428 816 C N 1.670 121.006 119.300 0.059 0.000 3.190 816 C HA 0.088 4.548 4.460 -0.000 0.000 0.288 816 C C 2.577 177.579 174.990 0.021 0.000 2.330 816 C CA 1.243 60.264 59.018 0.006 0.000 1.535 816 C CB 0.396 28.123 27.740 -0.022 0.000 1.587 816 C HN 0.815 nan 8.230 nan 0.000 0.679 817 S N 1.712 117.447 115.700 0.058 0.000 2.392 817 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 817 S C 1.944 176.660 174.600 0.192 0.000 1.041 817 S CA 1.971 60.250 58.200 0.131 0.000 1.026 817 S CB -0.621 62.755 63.200 0.292 0.000 0.845 817 S HN 0.926 nan 8.310 nan 0.000 0.465 818 A N 0.552 123.488 122.820 0.193 0.000 1.972 818 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 818 A C 2.218 179.918 177.584 0.194 0.000 1.169 818 A CA 1.411 53.584 52.037 0.227 0.000 0.635 818 A CB -0.511 18.669 19.000 0.299 0.000 0.810 818 A HN 0.390 nan 8.150 nan 0.000 0.446 819 V N -0.616 119.386 119.914 0.147 0.000 3.052 819 V HA -0.154 3.966 4.120 -0.000 0.000 0.254 819 V C 2.342 178.413 176.094 -0.038 0.000 1.100 819 V CA 1.532 63.879 62.300 0.078 0.000 1.112 819 V CB -0.534 31.335 31.823 0.078 0.000 0.738 819 V HN 0.609 nan 8.190 nan 0.000 0.469 820 Q N -0.113 119.644 119.800 -0.072 0.000 2.230 820 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 820 Q C 1.858 177.834 176.000 -0.040 0.000 0.963 820 Q CA 0.920 56.607 55.803 -0.194 0.000 0.866 820 Q CB -0.072 28.347 28.738 -0.531 0.000 0.931 820 Q HN 0.553 nan 8.270 nan 0.000 0.452 821 N N -0.475 118.296 118.700 0.118 0.000 2.463 821 N HA -0.053 4.687 4.740 -0.000 0.000 0.181 821 N C 0.881 176.447 175.510 0.093 0.000 1.078 821 N CA 0.689 53.860 53.050 0.202 0.000 0.902 821 N CB 0.603 39.236 38.487 0.242 0.000 0.970 821 N HN 0.166 nan 8.380 nan 0.000 0.451 822 Q N 0.004 119.830 119.800 0.043 0.000 2.209 822 Q HA 0.191 4.530 4.340 -0.000 0.000 0.201 822 Q C -1.532 174.434 176.000 -0.057 0.000 0.732 822 Q CA 0.043 55.850 55.803 0.007 0.000 0.555 822 Q CB 0.682 29.438 28.738 0.030 0.000 2.685 822 Q HN 0.225 nan 8.270 nan 0.000 0.224 823 D N -2.334 118.036 120.400 -0.051 0.000 2.764 823 D HA 0.171 4.811 4.640 -0.000 0.000 0.293 823 D C -0.311 176.009 176.300 0.033 0.000 1.287 823 D CA -0.618 53.294 54.000 -0.146 0.000 0.768 823 D CB -0.573 40.142 40.800 -0.142 0.000 1.288 823 D HN 0.249 nan 8.370 nan 0.000 0.426 824 F N -0.324 119.668 119.950 0.070 0.000 2.236 824 F HA -0.187 4.340 4.527 -0.000 0.000 0.302 824 F C 2.573 178.550 175.800 0.296 0.000 1.073 824 F CA 1.256 59.391 58.000 0.226 0.000 1.336 824 F CB -0.211 38.860 39.000 0.118 0.000 1.040 824 F HN 0.589 nan 8.300 nan 0.000 0.507 825 T N -2.047 112.654 114.554 0.245 0.000 3.051 825 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 825 T C 1.817 176.444 174.700 -0.122 0.000 1.127 825 T CA 0.903 63.043 62.100 0.068 0.000 1.107 825 T CB -1.108 67.772 68.868 0.019 0.000 0.898 825 T HN 0.272 nan 8.240 nan 0.000 0.517 826 V N -0.239 119.580 119.914 -0.158 0.000 2.660 826 V HA -0.122 3.998 4.120 -0.000 0.000 0.257 826 V C 2.336 177.783 176.094 -1.078 0.000 1.088 826 V CA 1.322 63.297 62.300 -0.542 0.000 1.106 826 V CB -1.481 30.017 31.823 -0.542 0.000 0.686 826 V HN 0.460 nan 8.190 nan 0.000 0.481 827 I N 0.921 120.942 120.570 -0.914 0.000 2.194 827 I HA -0.266 3.904 4.170 -0.000 0.000 0.246 827 I C 2.559 178.266 176.117 -0.682 0.000 1.093 827 I CA 2.302 62.900 61.300 -1.170 0.000 1.355 827 I CB -0.748 36.441 38.000 -1.351 0.000 1.046 827 I HN 0.484 nan 8.210 nan 0.000 0.413 828 Q N 0.395 119.940 119.800 -0.424 0.000 2.112 828 Q HA -0.321 4.019 4.340 -0.000 0.000 0.206 828 Q C 1.953 177.812 176.000 -0.235 0.000 0.987 828 Q CA 2.610 58.267 55.803 -0.245 0.000 0.858 828 Q CB -0.588 28.057 28.738 -0.154 0.000 0.905 828 Q HN 0.723 nan 8.270 nan 0.000 0.420 829 D N -1.029 119.188 120.400 -0.306 0.000 2.097 829 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 829 D C 1.890 178.124 176.300 -0.109 0.000 0.989 829 D CA 1.570 55.458 54.000 -0.186 0.000 0.827 829 D CB -0.340 40.352 40.800 -0.180 0.000 0.966 829 D HN 0.470 nan 8.370 nan 0.000 0.456 830 Y N -0.088 119.953 120.300 -0.431 0.000 2.128 830 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 830 Y C 2.848 178.504 175.900 -0.407 0.000 1.154 830 Y CA 0.567 58.241 58.100 -0.711 0.000 1.149 830 Y CB -0.391 37.049 38.460 -1.700 0.000 0.976 830 Y HN 0.213 nan 8.280 nan 0.000 0.505 831 C N -0.234 118.989 119.300 -0.128 0.000 2.462 831 C HA -0.172 4.288 4.460 -0.000 0.000 0.278 831 C C 2.996 178.054 174.990 0.115 0.000 1.253 831 C CA 1.726 60.794 59.018 0.083 0.000 1.713 831 C CB -1.345 26.424 27.740 0.048 0.000 2.049 831 C HN 0.674 nan 8.230 nan 0.000 0.477 832 T N -0.442 114.155 114.554 0.072 0.000 2.881 832 T HA -0.038 4.312 4.350 -0.000 0.000 0.270 832 T C 1.798 176.634 174.700 0.226 0.000 1.068 832 T CA 1.847 64.043 62.100 0.159 0.000 1.131 832 T CB -0.668 68.241 68.868 0.069 0.000 0.871 832 T HN 0.554 nan 8.240 nan 0.000 0.479 833 G N 1.453 110.342 108.800 0.148 0.000 2.404 833 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.214 833 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.214 833 G C 1.389 176.389 174.900 0.167 0.000 1.189 833 G CA 0.708 45.902 45.100 0.157 0.000 0.789 833 G HN 0.442 nan 8.290 nan 0.000 0.533 834 L N 0.866 122.204 121.223 0.192 0.000 2.079 834 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 834 L C 2.691 179.652 176.870 0.152 0.000 1.081 834 L CA 1.738 56.694 54.840 0.193 0.000 0.752 834 L CB -0.521 41.711 42.059 0.287 0.000 0.896 834 L HN 0.148 nan 8.230 nan 0.000 0.433 835 K N -0.740 119.756 120.400 0.159 0.000 1.991 835 K HA -0.182 4.138 4.320 -0.000 0.000 0.212 835 K C 2.078 178.731 176.600 0.089 0.000 1.049 835 K CA 1.576 57.938 56.287 0.125 0.000 0.932 835 K CB -0.539 32.040 32.500 0.132 0.000 0.717 835 K HN 0.443 nan 8.250 nan 0.000 0.441 836 A N 1.739 124.595 122.820 0.059 0.000 1.892 836 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 836 A C 2.229 179.878 177.584 0.108 0.000 1.188 836 A CA 1.587 53.613 52.037 -0.018 0.000 0.631 836 A CB -0.896 18.157 19.000 0.088 0.000 0.822 836 A HN 0.207 nan 8.150 nan 0.000 0.447 837 L N -0.824 120.474 121.223 0.124 0.000 1.971 837 L HA -0.245 4.095 4.340 -0.000 0.000 0.215 837 L C 2.694 179.630 176.870 0.110 0.000 1.072 837 L CA 1.684 56.596 54.840 0.120 0.000 0.758 837 L CB -0.576 41.541 42.059 0.098 0.000 0.889 837 L HN 0.418 nan 8.230 nan 0.000 0.433 838 L N -1.848 119.436 121.223 0.102 0.000 2.046 838 L HA -0.276 4.064 4.340 -0.000 0.000 0.208 838 L C 2.594 179.511 176.870 0.079 0.000 1.077 838 L CA 1.385 56.274 54.840 0.082 0.000 0.747 838 L CB -0.766 41.339 42.059 0.076 0.000 0.896 838 L HN 0.234 nan 8.230 nan 0.000 0.432 839 Y N 0.927 121.217 120.300 -0.016 0.000 2.128 839 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 839 Y C 2.380 178.253 175.900 -0.046 0.000 1.154 839 Y CA 1.617 59.691 58.100 -0.042 0.000 1.149 839 Y CB -0.168 38.239 38.460 -0.088 0.000 0.976 839 Y HN 0.002 nan 8.280 nan 0.000 0.505 840 L N 0.341 121.657 121.223 0.154 0.000 2.191 840 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 840 L C 2.149 178.974 176.870 -0.076 0.000 1.103 840 L CA 1.340 56.201 54.840 0.036 0.000 0.769 840 L CB -0.481 41.629 42.059 0.086 0.000 0.908 840 L HN 0.176 nan 8.230 nan 0.000 0.438 841 K N -0.161 120.212 120.400 -0.044 0.000 2.442 841 K HA -0.105 4.215 4.320 -0.000 0.000 0.198 841 K C 1.901 178.437 176.600 -0.106 0.000 1.044 841 K CA 1.394 57.653 56.287 -0.046 0.000 0.948 841 K CB -0.107 32.392 32.500 -0.000 0.000 0.762 841 K HN 0.400 nan 8.250 nan 0.000 0.472 842 S N -0.154 115.431 115.700 -0.191 0.000 2.540 842 S HA 0.153 4.623 4.470 -0.000 0.000 0.218 842 S C 0.530 174.984 174.600 -0.243 0.000 0.977 842 S CA -0.495 57.575 58.200 -0.218 0.000 0.918 842 S CB 0.224 63.257 63.200 -0.279 0.000 0.806 842 S HN -0.044 nan 8.310 nan 0.000 0.496 843 I N 2.937 123.356 120.570 -0.252 0.000 2.312 843 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 843 I C 1.428 177.391 176.117 -0.258 0.000 1.031 843 I CA -0.137 61.011 61.300 -0.253 0.000 1.293 843 I CB 0.956 38.821 38.000 -0.226 0.000 1.403 843 I HN 0.383 nan 8.210 nan 0.000 0.484 844 E N 5.685 125.729 120.200 -0.261 0.000 2.047 844 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 844 E C 1.229 177.652 176.600 -0.296 0.000 0.987 844 E CA 1.067 57.326 56.400 -0.234 0.000 0.799 844 E CB 0.390 29.973 29.700 -0.195 0.000 0.752 844 E HN 0.625 nan 8.360 nan 0.000 0.449 845 E N 0.367 120.284 120.200 -0.471 0.000 2.515 845 E HA -0.133 4.217 4.350 -0.000 0.000 0.201 845 E C 1.013 177.327 176.600 -0.476 0.000 1.071 845 E CA 0.498 56.571 56.400 -0.546 0.000 0.880 845 E CB 0.008 29.124 29.700 -0.974 0.000 0.828 845 E HN 0.391 nan 8.360 nan 0.000 0.540 846 L N 1.098 122.046 121.223 -0.459 0.000 3.168 846 L HA 0.221 4.561 4.340 -0.000 0.000 0.277 846 L C 1.447 178.136 176.870 -0.301 0.000 1.308 846 L CA -0.129 54.379 54.840 -0.553 0.000 0.976 846 L CB 0.358 41.917 42.059 -0.832 0.000 1.383 846 L HN -0.097 nan 8.230 nan 0.000 0.572 847 Q N 0.111 119.828 119.800 -0.138 0.000 2.398 847 Q HA 0.034 4.374 4.340 -0.000 0.000 0.204 847 Q C 2.062 178.109 176.000 0.079 0.000 0.932 847 Q CA 0.842 56.627 55.803 -0.030 0.000 0.916 847 Q CB 0.388 29.100 28.738 -0.044 0.000 1.024 847 Q HN 0.667 nan 8.270 nan 0.000 0.504 848 G N -0.056 108.830 108.800 0.142 0.000 2.598 848 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.215 848 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.215 848 G C -0.146 174.953 174.900 0.332 0.000 1.131 848 G CA -0.223 45.004 45.100 0.212 0.000 0.785 848 G HN 0.098 nan 8.290 nan 0.000 0.539 849 W N 0.142 121.466 121.300 0.040 0.000 2.129 849 W HA 0.469 5.129 4.660 -0.000 0.000 0.349 849 W C -0.295 176.261 176.519 0.061 0.000 1.279 849 W CA -1.294 56.090 57.345 0.065 0.000 1.306 849 W CB 0.583 30.093 29.460 0.084 0.000 1.140 849 W HN -0.073 nan 8.180 nan 0.000 0.613 850 D N 0.353 120.923 120.400 0.282 0.000 2.485 850 D HA 0.402 5.042 4.640 -0.000 0.000 0.256 850 D C 0.767 177.194 176.300 0.212 0.000 1.141 850 D CA 0.670 54.782 54.000 0.187 0.000 0.942 850 D CB -0.152 40.716 40.800 0.113 0.000 1.003 850 D HN 0.542 nan 8.370 nan 0.000 0.507 851 G N 3.403 112.347 108.800 0.240 0.000 2.552 851 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.267 851 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.267 851 G C 0.689 175.805 174.900 0.360 0.000 1.174 851 G CA 0.237 45.474 45.100 0.228 0.000 0.955 851 G HN 0.487 nan 8.290 nan 0.000 0.546 852 Q N 0.575 120.567 119.800 0.321 0.000 2.319 852 Q HA 0.333 4.673 4.340 -0.000 0.000 0.202 852 Q C 0.384 176.657 176.000 0.455 0.000 0.896 852 Q CA 0.561 56.645 55.803 0.468 0.000 0.942 852 Q CB 0.561 29.466 28.738 0.278 0.000 1.083 852 Q HN 0.345 nan 8.270 nan 0.000 0.510 853 S N 2.723 118.593 115.700 0.283 0.000 2.430 853 S HA 0.317 4.787 4.470 -0.000 0.000 0.289 853 S C -2.302 172.073 174.600 -0.375 0.000 1.143 853 S CA -1.126 57.127 58.200 0.087 0.000 1.067 853 S CB 1.001 64.290 63.200 0.149 0.000 0.964 853 S HN 0.021 nan 8.310 nan 0.000 0.485 854 P HA 0.195 nan 4.420 nan 0.000 0.273 854 P C 0.273 177.237 177.300 -0.560 0.000 1.250 854 P CA -0.310 61.845 63.100 -1.576 0.000 0.793 854 P CB 0.363 31.314 31.700 -1.248 0.000 1.011 855 G N 0.141 108.742 108.800 -0.331 0.000 2.378 855 G HA2 0.184 4.144 3.960 -0.000 0.000 0.255 855 G HA3 0.184 4.144 3.960 -0.000 0.000 0.255 855 G C -0.192 174.670 174.900 -0.064 0.000 1.270 855 G CA -0.016 45.036 45.100 -0.080 0.000 0.876 855 G HN 0.313 nan 8.290 nan 0.000 0.521 856 T N 2.783 117.324 114.554 -0.023 0.000 2.902 856 T HA 0.142 4.492 4.350 -0.000 0.000 0.301 856 T C 0.220 174.936 174.700 0.027 0.000 1.012 856 T CA 0.388 62.498 62.100 0.018 0.000 1.151 856 T CB 0.611 69.499 68.868 0.034 0.000 0.946 856 T HN 0.483 nan 8.240 nan 0.000 0.542 857 E N 1.881 122.119 120.200 0.062 0.000 2.207 857 E HA 0.272 4.622 4.350 -0.000 0.000 0.270 857 E C -0.222 176.400 176.600 0.036 0.000 0.927 857 E CA -0.634 55.795 56.400 0.048 0.000 0.799 857 E CB 1.596 31.329 29.700 0.056 0.000 1.172 857 E HN 0.426 nan 8.360 nan 0.000 0.404 858 S N 1.977 117.671 115.700 -0.011 0.000 2.811 858 S HA -0.010 4.460 4.470 -0.000 0.000 0.325 858 S C -0.141 174.454 174.600 -0.008 0.000 1.224 858 S CA 0.543 58.705 58.200 -0.063 0.000 1.125 858 S CB -0.571 62.609 63.200 -0.033 0.000 0.867 858 S HN 0.455 nan 8.310 nan 0.000 0.512 859 H N 1.171 120.240 119.070 -0.001 0.000 2.960 859 H HA 0.731 5.287 4.556 -0.000 0.000 0.338 859 H C -1.168 174.158 175.328 -0.002 0.000 1.261 859 H CA -1.043 55.004 56.048 -0.002 0.000 1.136 859 H CB 0.885 30.642 29.762 -0.007 0.000 1.875 859 H HN 0.319 nan 8.280 nan 0.000 0.550 860 Q N 0.576 120.584 119.800 0.347 0.000 2.275 860 Q HA 0.242 4.582 4.340 -0.000 0.000 0.258 860 Q C -0.984 175.101 176.000 0.141 0.000 0.960 860 Q CA -0.640 55.305 55.803 0.237 0.000 0.801 860 Q CB 2.070 30.867 28.738 0.099 0.000 1.302 860 Q HN 0.907 nan 8.270 nan 0.000 0.433 861 K N 0.811 121.272 120.400 0.103 0.000 3.071 861 K HA -0.285 4.035 4.320 -0.000 0.000 0.265 861 K C 0.673 177.217 176.600 -0.092 0.000 1.060 861 K CA 0.754 57.034 56.287 -0.012 0.000 0.767 861 K CB -1.537 30.954 32.500 -0.015 0.000 1.241 861 K HN 1.151 nan 8.250 nan 0.000 0.486 862 G N -0.240 108.414 108.800 -0.243 0.000 2.179 862 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.260 862 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.260 862 G C -0.145 174.662 174.900 -0.155 0.000 0.977 862 G CA 0.857 45.753 45.100 -0.339 0.000 0.641 862 G HN 0.345 nan 8.290 nan 0.000 0.533 863 K N 0.974 121.351 120.400 -0.039 0.000 2.182 863 K HA 0.522 4.842 4.320 -0.000 0.000 0.262 863 K C -2.641 174.008 176.600 0.081 0.000 0.957 863 K CA -2.184 54.117 56.287 0.022 0.000 0.842 863 K CB 2.064 34.578 32.500 0.024 0.000 1.099 863 K HN -0.019 nan 8.250 nan 0.000 0.438 864 P HA -0.019 nan 4.420 nan 0.000 0.269 864 P C -0.583 176.756 177.300 0.065 0.000 1.215 864 P CA -0.403 62.746 63.100 0.082 0.000 0.780 864 P CB 0.487 32.220 31.700 0.055 0.000 0.898 865 V N 4.614 124.561 119.914 0.055 0.000 2.498 865 V HA 0.228 4.348 4.120 -0.000 0.000 0.279 865 V C -1.895 174.216 176.094 0.028 0.000 1.048 865 V CA -1.477 60.844 62.300 0.035 0.000 0.967 865 V CB 0.602 32.436 31.823 0.020 0.000 0.988 865 V HN 0.575 nan 8.190 nan 0.000 0.473 866 P HA 0.221 nan 4.420 nan 0.000 0.267 866 P C -0.334 176.978 177.300 0.020 0.000 1.209 866 P CA -0.098 63.015 63.100 0.023 0.000 0.763 866 P CB 0.253 31.965 31.700 0.021 0.000 0.816 867 R N 3.357 123.870 120.500 0.023 0.000 4.071 867 R HA 0.272 4.612 4.340 -0.000 0.000 0.220 867 R C -0.034 176.280 176.300 0.023 0.000 1.614 867 R CA -0.192 55.920 56.100 0.021 0.000 1.505 867 R CB -0.497 29.817 30.300 0.024 0.000 1.384 867 R HN 0.498 nan 8.270 nan 0.000 0.758 868 I N 0.938 121.520 120.570 0.020 0.000 2.342 868 I HA 0.115 4.285 4.170 -0.000 0.000 0.291 868 I C 1.512 177.639 176.117 0.016 0.000 1.010 868 I CA -0.312 61.001 61.300 0.021 0.000 1.308 868 I CB 1.704 39.716 38.000 0.019 0.000 1.400 868 I HN 0.430 nan 8.210 nan 0.000 0.488 869 A N 5.452 128.283 122.820 0.018 0.000 1.927 869 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 869 A C 1.689 179.279 177.584 0.011 0.000 1.185 869 A CA 1.631 53.677 52.037 0.015 0.000 0.639 869 A CB -0.538 18.473 19.000 0.017 0.000 0.820 869 A HN 0.841 nan 8.150 nan 0.000 0.451 870 E N -0.826 119.381 120.200 0.011 0.000 2.416 870 E HA 0.253 4.603 4.350 -0.000 0.000 0.189 870 E C 0.791 177.394 176.600 0.004 0.000 1.091 870 E CA -0.017 56.387 56.400 0.007 0.000 0.889 870 E CB -0.011 29.693 29.700 0.008 0.000 1.015 870 E HN 0.625 nan 8.360 nan 0.000 0.479 871 L N -0.373 120.853 121.223 0.005 0.000 2.902 871 L HA 0.209 4.549 4.340 -0.000 0.000 0.254 871 L C 0.191 177.061 176.870 -0.001 0.000 1.115 871 L CA -0.132 54.709 54.840 0.001 0.000 0.947 871 L CB 0.496 42.557 42.059 0.003 0.000 1.369 871 L HN 0.203 nan 8.230 nan 0.000 0.538 872 M N 0.322 119.923 119.600 0.001 0.000 2.216 872 M HA 0.314 4.794 4.480 -0.000 0.000 0.356 872 M C 1.262 177.561 176.300 -0.002 0.000 1.205 872 M CA 0.189 55.488 55.300 -0.001 0.000 1.122 872 M CB 0.111 32.713 32.600 0.003 0.000 1.571 872 M HN 0.226 nan 8.290 nan 0.000 0.464 873 G N 2.633 111.430 108.800 -0.005 0.000 2.203 873 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.263 873 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.263 873 G C 0.820 175.717 174.900 -0.005 0.000 1.012 873 G CA 0.170 45.268 45.100 -0.005 0.000 0.749 873 G HN 0.654 nan 8.290 nan 0.000 0.512 874 K N 0.181 120.577 120.400 -0.007 0.000 2.353 874 K HA 0.140 4.460 4.320 -0.000 0.000 0.195 874 K C 1.258 177.854 176.600 -0.006 0.000 1.031 874 K CA 0.353 56.639 56.287 -0.003 0.000 1.079 874 K CB 0.182 32.681 32.500 -0.001 0.000 0.857 874 K HN 0.625 nan 8.250 nan 0.000 0.535 875 K N 1.107 121.493 120.400 -0.025 0.000 3.244 875 K HA -0.163 4.157 4.320 -0.000 0.000 0.270 875 K C -0.676 175.870 176.600 -0.090 0.000 1.016 875 K CA 0.400 56.653 56.287 -0.057 0.000 0.754 875 K CB -1.954 30.519 32.500 -0.046 0.000 1.326 875 K HN 0.152 nan 8.250 nan 0.000 0.465 876 L N 1.871 123.047 121.223 -0.079 0.000 2.313 876 L HA 0.309 4.649 4.340 -0.000 0.000 0.273 876 L C -1.541 175.217 176.870 -0.188 0.000 1.028 876 L CA -1.868 52.930 54.840 -0.070 0.000 0.871 876 L CB 0.757 42.820 42.059 0.006 0.000 1.242 876 L HN 0.006 nan 8.230 nan 0.000 0.434 877 P HA 0.022 nan 4.420 nan 0.000 0.272 877 P C -0.593 176.520 177.300 -0.313 0.000 1.240 877 P CA -0.424 62.445 63.100 -0.385 0.000 0.791 877 P CB 0.872 32.199 31.700 -0.622 0.000 0.978 878 N N 1.011 119.656 118.700 -0.092 0.000 3.111 878 N HA 0.154 4.894 4.740 -0.000 0.000 0.302 878 N C -0.431 175.155 175.510 0.126 0.000 1.317 878 N CA 0.296 53.348 53.050 0.004 0.000 1.151 878 N CB -0.848 37.672 38.487 0.055 0.000 1.456 878 N HN 0.389 nan 8.380 nan 0.000 0.547 879 F N -2.902 117.057 119.950 0.014 0.000 2.719 879 F HA 0.610 5.137 4.527 0.000 0.000 0.309 879 F C 0.533 176.322 175.800 -0.018 0.000 1.138 879 F CA -0.720 57.283 58.000 0.005 0.000 0.943 879 F CB 0.451 39.468 39.000 0.028 0.000 1.304 879 F HN 0.112 nan 8.300 nan 0.000 0.445 880 G N 1.465 110.411 108.800 0.243 0.000 2.591 880 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.278 880 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.278 880 G C -1.593 173.216 174.900 -0.151 0.000 1.293 880 G CA -0.032 45.071 45.100 0.006 0.000 0.930 880 G HN 0.842 nan 8.290 nan 0.000 0.562 881 P HA -0.173 nan 4.420 nan 0.000 0.218 881 P C 1.288 178.344 177.300 -0.407 0.000 1.146 881 P CA 2.364 65.247 63.100 -0.361 0.000 0.813 881 P CB -0.159 31.270 31.700 -0.451 0.000 0.778 882 Y N -0.295 119.805 120.300 -0.334 0.000 2.242 882 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 882 Y C 2.627 178.386 175.900 -0.235 0.000 1.137 882 Y CA 0.552 58.458 58.100 -0.323 0.000 1.181 882 Y CB -1.314 36.836 38.460 -0.516 0.000 0.989 882 Y HN -0.110 nan 8.280 nan 0.000 0.527 883 L N 0.512 121.694 121.223 -0.068 0.000 2.093 883 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 883 L C 2.109 178.950 176.870 -0.049 0.000 1.085 883 L CA 1.715 56.528 54.840 -0.045 0.000 0.755 883 L CB -0.701 41.349 42.059 -0.015 0.000 0.904 883 L HN 0.204 nan 8.230 nan 0.000 0.435 884 E N -1.022 119.134 120.200 -0.074 0.000 2.058 884 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 884 E C 2.146 178.709 176.600 -0.062 0.000 0.997 884 E CA 1.581 57.941 56.400 -0.067 0.000 0.801 884 E CB -0.038 29.608 29.700 -0.090 0.000 0.746 884 E HN 0.643 nan 8.360 nan 0.000 0.450 885 Q N -0.182 119.569 119.800 -0.082 0.000 2.079 885 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 885 Q C 2.261 178.238 176.000 -0.038 0.000 0.974 885 Q CA 1.031 56.795 55.803 -0.065 0.000 0.840 885 Q CB -0.047 28.643 28.738 -0.080 0.000 0.898 885 Q HN 0.170 nan 8.270 nan 0.000 0.430 886 R N 0.892 121.373 120.500 -0.033 0.000 2.080 886 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 886 R C 2.221 178.512 176.300 -0.015 0.000 1.137 886 R CA 1.435 57.523 56.100 -0.020 0.000 0.943 886 R CB -0.173 30.115 30.300 -0.019 0.000 0.846 886 R HN 0.154 nan 8.270 nan 0.000 0.431 887 K N 0.680 121.069 120.400 -0.018 0.000 2.103 887 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 887 K C 2.144 178.739 176.600 -0.007 0.000 1.048 887 K CA 1.334 57.614 56.287 -0.012 0.000 0.930 887 K CB -0.102 32.389 32.500 -0.014 0.000 0.716 887 K HN 0.115 nan 8.250 nan 0.000 0.444 888 K N 1.499 121.893 120.400 -0.011 0.000 1.985 888 K HA -0.132 4.188 4.320 -0.000 0.000 0.210 888 K C 2.049 178.648 176.600 -0.002 0.000 1.047 888 K CA 1.345 57.628 56.287 -0.006 0.000 0.932 888 K CB -0.120 32.371 32.500 -0.015 0.000 0.716 888 K HN 0.032 nan 8.250 nan 0.000 0.439 889 I N 1.270 121.837 120.570 -0.005 0.000 2.248 889 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 889 I C 2.235 178.357 176.117 0.008 0.000 1.107 889 I CA 1.313 62.613 61.300 0.000 0.000 1.373 889 I CB -0.264 37.735 38.000 -0.002 0.000 1.055 889 I HN 0.265 nan 8.210 nan 0.000 0.418 890 I N 0.501 121.075 120.570 0.006 0.000 2.353 890 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 890 I C 2.753 178.880 176.117 0.017 0.000 1.119 890 I CA 1.010 62.317 61.300 0.012 0.000 1.417 890 I CB -0.422 37.582 38.000 0.007 0.000 1.078 890 I HN 0.144 nan 8.210 nan 0.000 0.421 891 A N 0.508 123.336 122.820 0.013 0.000 1.929 891 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 891 A C 2.209 179.809 177.584 0.026 0.000 1.176 891 A CA 1.244 53.292 52.037 0.017 0.000 0.628 891 A CB -0.435 18.573 19.000 0.014 0.000 0.816 891 A HN 0.374 nan 8.150 nan 0.000 0.444 892 E N -0.657 119.556 120.200 0.022 0.000 2.085 892 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 892 E C 2.038 178.658 176.600 0.033 0.000 0.994 892 E CA 1.393 57.808 56.400 0.025 0.000 0.801 892 E CB -0.087 29.624 29.700 0.018 0.000 0.743 892 E HN 0.675 nan 8.360 nan 0.000 0.453 893 E N 1.180 121.400 120.200 0.033 0.000 2.110 893 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 893 E C 1.741 178.375 176.600 0.056 0.000 0.988 893 E CA 1.270 57.695 56.400 0.041 0.000 0.804 893 E CB 0.127 29.849 29.700 0.037 0.000 0.745 893 E HN -0.037 nan 8.360 nan 0.000 0.458 894 K N -0.261 120.173 120.400 0.056 0.000 2.097 894 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 894 K C 1.971 178.621 176.600 0.084 0.000 1.050 894 K CA 1.046 57.378 56.287 0.075 0.000 0.938 894 K CB -0.264 32.279 32.500 0.071 0.000 0.718 894 K HN 0.302 nan 8.250 nan 0.000 0.442 895 M N 0.322 119.962 119.600 0.067 0.000 2.175 895 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 895 M C 2.136 178.477 176.300 0.068 0.000 1.063 895 M CA 1.243 56.583 55.300 0.067 0.000 1.119 895 M CB -0.801 31.829 32.600 0.051 0.000 1.377 895 M HN 0.131 nan 8.290 nan 0.000 0.415 896 R N 0.619 121.156 120.500 0.062 0.000 2.081 896 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 896 R C 2.122 178.470 176.300 0.079 0.000 1.131 896 R CA 1.171 57.308 56.100 0.061 0.000 0.960 896 R CB -0.266 30.066 30.300 0.053 0.000 0.856 896 R HN 0.342 nan 8.270 nan 0.000 0.436 897 L N 0.700 121.981 121.223 0.096 0.000 2.265 897 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 897 L C 2.619 179.576 176.870 0.144 0.000 1.117 897 L CA 1.215 56.135 54.840 0.132 0.000 0.782 897 L CB -0.331 41.815 42.059 0.144 0.000 0.914 897 L HN 0.244 nan 8.230 nan 0.000 0.441 898 K N 0.589 121.062 120.400 0.121 0.000 2.116 898 K HA -0.166 4.154 4.320 -0.000 0.000 0.203 898 K C 1.886 178.547 176.600 0.102 0.000 1.052 898 K CA 0.941 57.300 56.287 0.120 0.000 0.952 898 K CB 0.099 32.667 32.500 0.113 0.000 0.729 898 K HN 0.196 nan 8.250 nan 0.000 0.446 899 E N 0.327 120.577 120.200 0.083 0.000 2.401 899 E HA -0.174 4.176 4.350 -0.000 0.000 0.199 899 E C 1.619 178.254 176.600 0.059 0.000 1.023 899 E CA 0.793 57.232 56.400 0.065 0.000 0.859 899 E CB 0.249 29.981 29.700 0.053 0.000 0.780 899 E HN 0.408 nan 8.360 nan 0.000 0.523 900 Q N -0.350 119.491 119.800 0.069 0.000 2.250 900 Q HA 0.011 4.351 4.340 -0.000 0.000 0.200 900 Q C 0.521 176.544 176.000 0.038 0.000 0.941 900 Q CA 0.106 55.937 55.803 0.046 0.000 0.872 900 Q CB 0.431 29.200 28.738 0.052 0.000 0.965 900 Q HN 0.188 nan 8.270 nan 0.000 0.480 901 N N 0.042 118.794 118.700 0.086 0.000 2.644 901 N HA -0.205 4.535 4.740 -0.000 0.000 0.248 901 N C -0.555 174.993 175.510 0.062 0.000 1.150 901 N CA 0.908 54.043 53.050 0.142 0.000 0.727 901 N CB -1.040 37.570 38.487 0.205 0.000 1.091 901 N HN 0.289 nan 8.380 nan 0.000 0.556 902 A N 0.088 122.846 122.820 -0.104 0.000 2.511 902 A HA 0.518 4.838 4.320 -0.000 0.000 0.242 902 A C 0.890 178.166 177.584 -0.513 0.000 1.069 902 A CA 0.427 52.282 52.037 -0.305 0.000 0.763 902 A CB 0.381 19.121 19.000 -0.433 0.000 1.001 902 A HN 0.440 nan 8.150 nan 0.000 0.498 903 A N 2.315 124.945 122.820 -0.318 0.000 2.401 903 A HA 0.582 4.902 4.320 -0.000 0.000 0.259 903 A C -0.486 176.846 177.584 -0.420 0.000 1.103 903 A CA -0.256 51.640 52.037 -0.234 0.000 0.789 903 A CB -0.260 18.709 19.000 -0.052 0.000 1.035 903 A HN 0.648 nan 8.150 nan 0.000 0.491 904 F N 3.144 123.091 119.950 -0.004 0.000 2.404 904 F HA 0.365 4.892 4.527 0.000 0.000 0.358 904 F C -1.606 174.196 175.800 0.004 0.000 1.120 904 F CA -1.864 56.136 58.000 -0.001 0.000 1.144 904 F CB 0.431 39.424 39.000 -0.011 0.000 1.133 904 F HN 0.408 nan 8.300 nan 0.000 0.495 905 P HA -0.055 nan 4.420 nan 0.000 0.263 905 P C -2.005 175.355 177.300 0.099 0.000 1.162 905 P CA -0.541 62.610 63.100 0.085 0.000 0.758 905 P CB -0.088 31.656 31.700 0.073 0.000 0.773 906 P HA -0.011 nan 4.420 nan 0.000 0.283 906 P C -0.571 176.783 177.300 0.089 0.000 1.388 906 P CA 0.278 63.425 63.100 0.079 0.000 0.977 906 P CB 0.219 31.957 31.700 0.064 0.000 1.287 907 L N -0.431 120.848 121.223 0.092 0.000 2.341 907 L HA 0.382 4.722 4.340 -0.000 0.000 0.278 907 L C 0.208 177.115 176.870 0.062 0.000 1.005 907 L CA -0.157 54.734 54.840 0.085 0.000 0.818 907 L CB 1.470 43.593 42.059 0.106 0.000 1.259 907 L HN 0.245 nan 8.230 nan 0.000 0.418 908 E N 3.226 123.455 120.200 0.049 0.000 2.751 908 E HA 0.202 4.552 4.350 -0.000 0.000 0.219 908 E C -0.582 176.030 176.600 0.020 0.000 1.060 908 E CA -0.379 56.044 56.400 0.038 0.000 0.893 908 E CB 1.179 30.904 29.700 0.041 0.000 1.300 908 E HN 0.328 nan 8.360 nan 0.000 0.433 909 R N 3.005 123.510 120.500 0.009 0.000 2.230 909 R HA 0.191 4.531 4.340 -0.000 0.000 0.337 909 R C -0.747 175.531 176.300 -0.035 0.000 1.063 909 R CA -0.183 55.900 56.100 -0.029 0.000 0.935 909 R CB 0.220 30.507 30.300 -0.022 0.000 1.121 909 R HN 0.101 nan 8.270 nan 0.000 0.486 910 K N 5.056 125.428 120.400 -0.046 0.000 2.292 910 K HA 0.395 4.715 4.320 -0.000 0.000 0.257 910 K C -2.475 174.077 176.600 -0.080 0.000 0.940 910 K CA -2.067 54.205 56.287 -0.025 0.000 0.811 910 K CB 2.074 34.592 32.500 0.031 0.000 1.120 910 K HN 0.376 nan 8.250 nan 0.000 0.428 911 P HA -0.030 nan 4.420 nan 0.000 0.267 911 P C -0.892 176.449 177.300 0.070 0.000 1.200 911 P CA 0.198 63.240 63.100 -0.096 0.000 0.772 911 P CB 0.349 32.032 31.700 -0.029 0.000 0.855 912 F N 2.209 122.133 119.950 -0.043 0.000 2.410 912 F HA 0.328 4.855 4.527 -0.000 0.000 0.348 912 F C 0.909 176.691 175.800 -0.031 0.000 1.106 912 F CA -0.804 57.164 58.000 -0.053 0.000 1.163 912 F CB 0.572 39.520 39.000 -0.086 0.000 1.129 912 F HN 0.006 nan 8.300 nan 0.000 0.516 913 I N 4.966 125.620 120.570 0.139 0.000 2.377 913 I HA 0.261 4.431 4.170 -0.000 0.000 0.293 913 I C -2.335 173.757 176.117 -0.041 0.000 0.987 913 I CA -2.395 58.932 61.300 0.045 0.000 1.185 913 I CB 1.553 39.569 38.000 0.026 0.000 1.341 913 I HN 0.266 nan 8.210 nan 0.000 0.455 914 P HA 0.038 nan 4.420 nan 0.000 0.260 914 P C -0.439 176.788 177.300 -0.121 0.000 1.207 914 P CA 0.052 63.045 63.100 -0.179 0.000 0.780 914 P CB 0.193 31.753 31.700 -0.234 0.000 0.789 915 K N 3.967 124.291 120.400 -0.126 0.000 2.708 915 K HA 0.107 4.427 4.320 -0.000 0.000 0.219 915 K C 0.402 176.949 176.600 -0.089 0.000 1.068 915 K CA -0.038 56.191 56.287 -0.096 0.000 1.212 915 K CB -0.159 32.282 32.500 -0.099 0.000 0.978 915 K HN 0.472 nan 8.250 nan 0.000 0.475 916 K N -0.546 119.796 120.400 -0.095 0.000 2.774 916 K HA 0.202 4.522 4.320 -0.000 0.000 0.283 916 K C -3.273 173.277 176.600 -0.084 0.000 1.050 916 K CA -1.329 54.910 56.287 -0.080 0.000 0.872 916 K CB 0.932 33.385 32.500 -0.078 0.000 1.434 916 K HN -0.256 nan 8.250 nan 0.000 0.372 917 P HA 0.083 nan 4.420 nan 0.000 0.268 917 P C -0.026 177.237 177.300 -0.061 0.000 1.205 917 P CA -0.295 62.773 63.100 -0.053 0.000 0.771 917 P CB 0.294 31.974 31.700 -0.033 0.000 0.858 918 I N 4.837 125.371 120.570 -0.060 0.000 2.505 918 I HA 0.067 4.237 4.170 -0.000 0.000 0.287 918 I C -1.116 174.992 176.117 -0.016 0.000 1.104 918 I CA -1.745 59.522 61.300 -0.055 0.000 1.387 918 I CB -0.479 37.504 38.000 -0.029 0.000 1.404 918 I HN 0.297 nan 8.210 nan 0.000 0.528 919 P HA 0.161 nan 4.420 nan 0.000 0.269 919 P C -0.651 176.662 177.300 0.022 0.000 1.217 919 P CA -0.283 62.823 63.100 0.010 0.000 0.783 919 P CB 1.096 32.810 31.700 0.023 0.000 0.898 920 A N 1.676 124.510 122.820 0.022 0.000 2.354 920 A HA 0.442 4.762 4.320 -0.000 0.000 0.321 920 A C 1.597 179.193 177.584 0.021 0.000 1.125 920 A CA -0.797 51.254 52.037 0.024 0.000 0.799 920 A CB 0.518 19.530 19.000 0.020 0.000 1.293 920 A HN 0.406 nan 8.150 nan 0.000 0.452 921 I N 0.786 121.364 120.570 0.013 0.000 2.113 921 I HA -0.353 3.817 4.170 -0.000 0.000 0.242 921 I C 2.523 178.640 176.117 -0.001 0.000 1.057 921 I CA 2.603 63.900 61.300 -0.005 0.000 1.314 921 I CB -1.201 36.780 38.000 -0.031 0.000 1.022 921 I HN 0.972 nan 8.210 nan 0.000 0.408 922 K N 0.593 120.993 120.400 0.000 0.000 2.113 922 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 922 K C 1.395 178.002 176.600 0.011 0.000 1.047 922 K CA 1.874 58.161 56.287 0.001 0.000 0.928 922 K CB -0.521 31.980 32.500 0.003 0.000 0.716 922 K HN 0.263 nan 8.250 nan 0.000 0.446 923 D N 1.081 121.490 120.400 0.016 0.000 2.351 923 D HA -0.089 4.551 4.640 -0.000 0.000 0.216 923 D C 1.781 178.105 176.300 0.040 0.000 0.968 923 D CA 1.440 55.452 54.000 0.020 0.000 0.899 923 D CB 0.420 41.230 40.800 0.017 0.000 0.907 923 D HN 0.395 nan 8.370 nan 0.000 0.514 924 V N -2.391 117.562 119.914 0.065 0.000 3.604 924 V HA 0.238 4.358 4.120 -0.000 0.000 0.277 924 V C 0.922 177.113 176.094 0.162 0.000 1.399 924 V CA -0.387 61.998 62.300 0.141 0.000 1.034 924 V CB 0.044 32.001 31.823 0.223 0.000 0.824 924 V HN -0.118 nan 8.190 nan 0.000 0.439 925 I N 2.984 123.599 120.570 0.076 0.000 2.775 925 I HA 0.338 4.508 4.170 -0.000 0.000 0.290 925 I C 1.738 177.889 176.117 0.056 0.000 1.203 925 I CA 1.540 62.874 61.300 0.057 0.000 1.433 925 I CB 0.220 38.222 38.000 0.004 0.000 1.354 925 I HN 0.519 nan 8.210 nan 0.000 0.579 926 G N 5.110 113.949 108.800 0.065 0.000 2.205 926 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.269 926 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.269 926 G C 1.226 176.129 174.900 0.006 0.000 0.977 926 G CA 0.181 45.303 45.100 0.036 0.000 0.652 926 G HN 0.643 nan 8.290 nan 0.000 0.539 927 K N 0.176 120.575 120.400 -0.002 0.000 2.360 927 K HA 0.098 4.418 4.320 -0.000 0.000 0.201 927 K C 2.594 179.133 176.600 -0.100 0.000 1.046 927 K CA 1.403 57.642 56.287 -0.081 0.000 0.940 927 K CB -0.435 31.995 32.500 -0.117 0.000 0.748 927 K HN 0.780 nan 8.250 nan 0.000 0.465 928 A N 0.423 123.212 122.820 -0.051 0.000 2.178 928 A HA 0.071 4.391 4.320 -0.000 0.000 0.211 928 A C 2.032 179.672 177.584 0.094 0.000 1.157 928 A CA 0.184 52.269 52.037 0.079 0.000 0.780 928 A CB -0.254 18.782 19.000 0.060 0.000 0.828 928 A HN 0.146 nan 8.150 nan 0.000 0.476 929 L N 0.069 121.294 121.223 0.004 0.000 2.201 929 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 929 L C 2.877 179.709 176.870 -0.063 0.000 1.105 929 L CA 1.514 56.348 54.840 -0.010 0.000 0.775 929 L CB -0.525 41.525 42.059 -0.015 0.000 0.913 929 L HN 0.693 nan 8.230 nan 0.000 0.440 930 Q N -0.494 119.196 119.800 -0.182 0.000 2.181 930 Q HA -0.242 4.098 4.340 -0.000 0.000 0.205 930 Q C 1.741 177.567 176.000 -0.290 0.000 0.980 930 Q CA 1.929 57.554 55.803 -0.297 0.000 0.862 930 Q CB -0.664 27.779 28.738 -0.491 0.000 0.905 930 Q HN 0.509 nan 8.270 nan 0.000 0.429 931 Y N 0.820 121.091 120.300 -0.047 0.000 2.516 931 Y HA 0.162 4.712 4.550 -0.000 0.000 0.291 931 Y C 0.840 176.717 175.900 -0.038 0.000 1.131 931 Y CA -0.306 57.766 58.100 -0.046 0.000 1.281 931 Y CB 0.241 38.671 38.460 -0.051 0.000 1.013 931 Y HN 0.019 nan 8.280 nan 0.000 0.554 932 L N 0.219 121.497 121.223 0.092 0.000 2.397 932 L HA 0.465 4.805 4.340 -0.000 0.000 0.271 932 L C 0.699 177.583 176.870 0.024 0.000 1.148 932 L CA 0.107 54.978 54.840 0.053 0.000 0.825 932 L CB 0.799 42.881 42.059 0.039 0.000 1.117 932 L HN 0.221 nan 8.230 nan 0.000 0.456 933 G N 0.423 109.237 108.800 0.023 0.000 2.606 933 G HA2 0.474 4.434 3.960 -0.000 0.000 0.300 933 G HA3 0.474 4.434 3.960 -0.000 0.000 0.300 933 G C -0.741 174.176 174.900 0.029 0.000 1.360 933 G CA -0.132 44.975 45.100 0.013 0.000 0.783 933 G HN 0.546 nan 8.290 nan 0.000 0.484 934 T N -2.061 112.513 114.554 0.033 0.000 2.729 934 T HA 0.332 4.682 4.350 -0.000 0.000 0.298 934 T C 1.114 175.871 174.700 0.095 0.000 1.013 934 T CA 0.150 62.292 62.100 0.071 0.000 0.957 934 T CB 0.719 69.627 68.868 0.066 0.000 1.130 934 T HN 0.490 nan 8.240 nan 0.000 0.526 935 F N 0.729 120.682 119.950 0.005 0.000 2.293 935 F HA 0.227 4.754 4.527 -0.000 0.000 0.297 935 F C 2.417 178.221 175.800 0.007 0.000 1.089 935 F CA 1.386 59.390 58.000 0.007 0.000 1.377 935 F CB -0.831 38.173 39.000 0.007 0.000 1.051 935 F HN 0.708 nan 8.300 nan 0.000 0.511 936 G N -0.307 108.568 108.800 0.125 0.000 2.470 936 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 936 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 936 G C 1.372 176.242 174.900 -0.051 0.000 1.121 936 G CA 0.661 45.788 45.100 0.045 0.000 0.766 936 G HN 0.461 nan 8.290 nan 0.000 0.553 937 E N -0.341 119.823 120.200 -0.060 0.000 2.511 937 E HA 0.130 4.480 4.350 -0.000 0.000 0.196 937 E C 0.191 176.721 176.600 -0.117 0.000 1.066 937 E CA -0.255 56.105 56.400 -0.067 0.000 0.871 937 E CB 0.077 29.754 29.700 -0.038 0.000 0.863 937 E HN 0.359 nan 8.360 nan 0.000 0.520 938 L N 1.502 122.590 121.223 -0.225 0.000 2.281 938 L HA 0.143 4.483 4.340 -0.000 0.000 0.285 938 L C 0.458 177.183 176.870 -0.242 0.000 1.074 938 L CA -0.498 54.171 54.840 -0.286 0.000 0.817 938 L CB 1.328 43.065 42.059 -0.537 0.000 1.168 938 L HN -0.098 nan 8.230 nan 0.000 0.434 939 S N 2.428 118.038 115.700 -0.150 0.000 2.465 939 S HA 0.034 4.504 4.470 -0.000 0.000 0.280 939 S C 0.858 175.401 174.600 -0.095 0.000 1.232 939 S CA -0.706 57.435 58.200 -0.100 0.000 1.066 939 S CB -0.006 63.155 63.200 -0.065 0.000 0.929 939 S HN 0.726 nan 8.310 nan 0.000 0.494 940 N N 4.821 123.485 118.700 -0.060 0.000 2.295 940 N HA 0.114 4.854 4.740 -0.000 0.000 0.221 940 N C 0.752 176.281 175.510 0.032 0.000 1.129 940 N CA -0.029 53.013 53.050 -0.014 0.000 0.836 940 N CB -0.323 38.185 38.487 0.035 0.000 1.040 940 N HN 0.741 nan 8.380 nan 0.000 0.494 941 I N -4.257 116.318 120.570 0.007 0.000 4.139 941 I HA 0.315 4.485 4.170 -0.000 0.000 0.320 941 I C -0.151 175.967 176.117 0.003 0.000 1.290 941 I CA -0.170 61.145 61.300 0.026 0.000 1.253 941 I CB 0.062 38.072 38.000 0.016 0.000 1.122 941 I HN -0.122 nan 8.210 nan 0.000 0.421 942 E N 3.891 124.076 120.200 -0.026 0.000 1.964 942 E HA 0.215 4.565 4.350 -0.000 0.000 0.264 942 E C -0.405 176.151 176.600 -0.073 0.000 1.120 942 E CA -0.287 56.088 56.400 -0.041 0.000 1.061 942 E CB 0.372 30.047 29.700 -0.042 0.000 1.190 942 E HN 0.350 nan 8.360 nan 0.000 0.459 943 Q N 0.965 120.710 119.800 -0.091 0.000 2.221 943 Q HA 0.440 4.780 4.340 -0.000 0.000 0.242 943 Q C 0.171 176.085 176.000 -0.143 0.000 0.940 943 Q CA -0.527 55.167 55.803 -0.182 0.000 0.896 943 Q CB 2.099 30.650 28.738 -0.313 0.000 1.226 943 Q HN 0.342 nan 8.270 nan 0.000 0.463 944 V N -2.157 117.658 119.914 -0.166 0.000 3.158 944 V HA 0.926 5.046 4.120 -0.000 0.000 0.311 944 V C -0.307 175.718 176.094 -0.115 0.000 1.181 944 V CA -0.948 61.286 62.300 -0.111 0.000 1.054 944 V CB 1.838 33.612 31.823 -0.083 0.000 1.085 944 V HN 0.598 nan 8.190 nan 0.000 0.446 945 V N -2.234 117.638 119.914 -0.070 0.000 3.159 945 V HA 1.034 5.154 4.120 -0.000 0.000 0.308 945 V C 0.046 176.123 176.094 -0.028 0.000 1.190 945 V CA -0.476 61.794 62.300 -0.050 0.000 1.037 945 V CB 1.255 33.058 31.823 -0.034 0.000 1.060 945 V HN 2.079 nan 8.190 nan 0.000 0.437 946 A N 1.073 123.886 122.820 -0.013 0.000 2.316 946 A HA 0.836 5.156 4.320 -0.000 0.000 0.284 946 A C -0.385 177.199 177.584 0.001 0.000 1.115 946 A CA -0.414 51.620 52.037 -0.004 0.000 0.812 946 A CB 1.350 20.353 19.000 0.005 0.000 1.064 946 A HN 2.008 nan 8.150 nan 0.000 0.489 947 V N 4.463 124.376 119.914 -0.001 0.000 2.524 947 V HA 0.484 4.604 4.120 -0.000 0.000 0.297 947 V C -0.782 175.312 176.094 0.000 0.000 1.035 947 V CA -0.479 61.822 62.300 0.002 0.000 0.867 947 V CB 1.115 32.937 31.823 -0.002 0.000 1.004 947 V HN 0.750 nan 8.190 nan 0.000 0.426 948 I N 5.458 126.031 120.570 0.005 0.000 2.440 948 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 948 I C -0.026 176.089 176.117 -0.004 0.000 0.995 948 I CA -0.254 61.047 61.300 0.002 0.000 1.306 948 I CB 1.311 39.319 38.000 0.013 0.000 1.407 948 I HN 0.528 nan 8.210 nan 0.000 0.501 949 D N 5.954 126.345 120.400 -0.014 0.000 2.479 949 D HA 0.085 4.725 4.640 -0.000 0.000 0.218 949 D C 0.932 177.218 176.300 -0.023 0.000 1.131 949 D CA -0.076 53.910 54.000 -0.024 0.000 0.916 949 D CB 0.675 41.449 40.800 -0.042 0.000 1.022 949 D HN 0.512 nan 8.370 nan 0.000 0.515 950 E N 1.665 121.858 120.200 -0.012 0.000 2.219 950 E HA -0.197 4.153 4.350 -0.000 0.000 0.198 950 E C 1.095 177.683 176.600 -0.019 0.000 0.998 950 E CA 0.867 57.262 56.400 -0.008 0.000 0.818 950 E CB 0.387 30.080 29.700 -0.011 0.000 0.741 950 E HN 0.518 nan 8.360 nan 0.000 0.477 951 E N -0.231 119.951 120.200 -0.029 0.000 2.274 951 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 951 E C 1.798 178.365 176.600 -0.054 0.000 0.996 951 E CA 0.836 57.215 56.400 -0.034 0.000 0.840 951 E CB 0.040 29.721 29.700 -0.032 0.000 0.772 951 E HN 0.427 nan 8.360 nan 0.000 0.491 952 M N -0.281 119.270 119.600 -0.082 0.000 2.516 952 M HA 0.048 4.528 4.480 -0.000 0.000 0.259 952 M C 1.288 177.541 176.300 -0.080 0.000 1.146 952 M CA -0.156 55.055 55.300 -0.150 0.000 1.122 952 M CB 0.549 33.016 32.600 -0.220 0.000 1.341 952 M HN -0.040 nan 8.290 nan 0.000 0.478 953 C N 2.903 122.186 119.300 -0.028 0.000 2.657 953 C HA 0.111 4.571 4.460 -0.000 0.000 0.420 953 C C 1.550 176.572 174.990 0.052 0.000 1.323 953 C CA -0.378 58.650 59.018 0.017 0.000 1.894 953 C CB -0.403 27.361 27.740 0.039 0.000 2.681 953 C HN 0.638 nan 8.230 nan 0.000 0.613 954 I N 1.577 122.188 120.570 0.069 0.000 3.816 954 I HA 0.369 4.539 4.170 -0.000 0.000 0.334 954 I C 0.484 176.684 176.117 0.139 0.000 1.551 954 I CA -0.318 61.041 61.300 0.098 0.000 1.153 954 I CB -0.990 37.052 38.000 0.070 0.000 1.197 954 I HN 0.852 nan 8.210 nan 0.000 0.439 955 N N 0.321 119.129 118.700 0.180 0.000 2.678 955 N HA -0.285 4.455 4.740 -0.000 0.000 0.249 955 N C 1.338 176.985 175.510 0.229 0.000 1.119 955 N CA 1.254 54.475 53.050 0.285 0.000 0.718 955 N CB -2.325 36.406 38.487 0.405 0.000 1.060 955 N HN 0.884 nan 8.380 nan 0.000 0.552 956 C N -2.679 116.670 119.300 0.082 0.000 2.435 956 C HA 0.378 4.838 4.460 -0.000 0.000 0.279 956 C C 2.173 177.078 174.990 -0.142 0.000 1.321 956 C CA 0.563 59.579 59.018 -0.003 0.000 1.752 956 C CB -1.042 26.683 27.740 -0.025 0.000 1.959 956 C HN 1.060 nan 8.230 nan 0.000 0.500 957 G N 0.571 109.192 108.800 -0.297 0.000 2.132 957 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.234 957 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.234 957 G C 0.765 175.457 174.900 -0.346 0.000 0.989 957 G CA 0.548 45.214 45.100 -0.724 0.000 0.676 957 G HN 0.637 nan 8.290 nan 0.000 0.522 958 K N -0.269 120.016 120.400 -0.193 0.000 2.057 958 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 958 K C 2.991 179.529 176.600 -0.104 0.000 1.050 958 K CA 1.785 57.995 56.287 -0.127 0.000 0.935 958 K CB -0.495 31.955 32.500 -0.085 0.000 0.715 958 K HN 0.862 nan 8.250 nan 0.000 0.439 959 C N -0.040 119.208 119.300 -0.086 0.000 2.413 959 C HA -0.174 4.286 4.460 -0.000 0.000 0.276 959 C C 2.500 177.482 174.990 -0.013 0.000 1.248 959 C CA 0.430 59.423 59.018 -0.041 0.000 1.742 959 C CB -1.455 26.271 27.740 -0.023 0.000 2.017 959 C HN 0.462 nan 8.230 nan 0.000 0.481 960 Y N 1.956 122.123 120.300 -0.221 0.000 2.081 960 Y HA -0.260 4.290 4.550 0.000 0.000 0.280 960 Y C 2.738 178.544 175.900 -0.157 0.000 1.163 960 Y CA 2.378 60.349 58.100 -0.215 0.000 1.135 960 Y CB -0.339 37.857 38.460 -0.440 0.000 0.970 960 Y HN 0.241 nan 8.280 nan 0.000 0.498 961 M N -0.661 118.789 119.600 -0.250 0.000 2.175 961 M HA -0.202 4.278 4.480 -0.000 0.000 0.264 961 M C 1.973 178.152 176.300 -0.203 0.000 1.063 961 M CA 1.892 57.008 55.300 -0.307 0.000 1.119 961 M CB -0.473 31.995 32.600 -0.220 0.000 1.377 961 M HN 0.246 nan 8.290 nan 0.000 0.415 962 T N -0.023 114.452 114.554 -0.133 0.000 2.643 962 T HA -0.201 4.149 4.350 -0.000 0.000 0.264 962 T C 1.873 176.512 174.700 -0.101 0.000 1.045 962 T CA 1.561 63.602 62.100 -0.098 0.000 1.155 962 T CB -0.591 68.240 68.868 -0.062 0.000 0.863 962 T HN 0.539 nan 8.240 nan 0.000 0.420 963 C N 2.129 121.386 119.300 -0.073 0.000 2.419 963 C HA -0.041 4.419 4.460 -0.000 0.000 0.281 963 C C 2.541 177.470 174.990 -0.101 0.000 1.336 963 C CA 0.538 59.527 59.018 -0.048 0.000 1.770 963 C CB -1.608 26.151 27.740 0.031 0.000 1.929 963 C HN 0.431 nan 8.230 nan 0.000 0.509 964 N N 1.012 119.610 118.700 -0.171 0.000 2.173 964 N HA -0.037 4.703 4.740 -0.000 0.000 0.184 964 N C 0.961 176.366 175.510 -0.175 0.000 1.025 964 N CA 1.481 54.407 53.050 -0.206 0.000 0.852 964 N CB -0.417 37.844 38.487 -0.376 0.000 0.998 964 N HN 0.546 nan 8.380 nan 0.000 0.427 965 D N -1.049 119.248 120.400 -0.172 0.000 2.369 965 D HA 0.198 4.838 4.640 -0.000 0.000 0.211 965 D C 0.180 176.399 176.300 -0.135 0.000 1.077 965 D CA 0.317 54.232 54.000 -0.142 0.000 0.842 965 D CB 0.449 41.172 40.800 -0.128 0.000 0.947 965 D HN -0.027 nan 8.370 nan 0.000 0.509 966 S N -0.848 114.764 115.700 -0.147 0.000 2.993 966 S HA 0.434 4.904 4.470 -0.000 0.000 0.257 966 S C 0.599 175.080 174.600 -0.198 0.000 0.997 966 S CA -0.275 57.838 58.200 -0.144 0.000 1.191 966 S CB 1.767 64.907 63.200 -0.100 0.000 1.143 966 S HN 0.296 nan 8.310 nan 0.000 0.655 967 G N 0.270 108.915 108.800 -0.257 0.000 3.253 967 G HA2 0.506 4.466 3.960 -0.000 0.000 0.175 967 G HA3 0.506 4.466 3.960 -0.000 0.000 0.175 967 G C -1.029 173.472 174.900 -0.664 0.000 1.098 967 G CA -0.379 44.490 45.100 -0.385 0.000 0.790 967 G HN 0.260 nan 8.290 nan 0.000 0.648 968 Y N 0.443 120.749 120.300 0.009 0.000 2.720 968 Y HA 0.345 4.895 4.550 0.000 0.000 0.268 968 Y C 0.415 176.331 175.900 0.026 0.000 1.142 968 Y CA -0.587 57.526 58.100 0.022 0.000 1.193 968 Y CB 0.477 38.961 38.460 0.039 0.000 1.176 968 Y HN 0.311 nan 8.280 nan 0.000 0.542 969 Q N 0.153 119.994 119.800 0.068 0.000 2.431 969 Q HA -0.238 4.102 4.340 -0.000 0.000 0.344 969 Q C 0.866 176.945 176.000 0.132 0.000 1.384 969 Q CA 0.881 56.730 55.803 0.077 0.000 0.984 969 Q CB -1.457 27.314 28.738 0.054 0.000 1.204 969 Q HN 0.608 nan 8.270 nan 0.000 0.392 970 A N -0.451 122.458 122.820 0.149 0.000 2.390 970 A HA 0.402 4.722 4.320 -0.000 0.000 0.232 970 A C 0.443 178.106 177.584 0.132 0.000 1.233 970 A CA -0.069 52.052 52.037 0.140 0.000 0.907 970 A CB 0.687 19.773 19.000 0.143 0.000 0.967 970 A HN 0.440 nan 8.150 nan 0.000 0.512 971 I N 0.774 121.445 120.570 0.169 0.000 2.441 971 I HA 0.236 4.406 4.170 -0.000 0.000 0.295 971 I C -0.524 175.710 176.117 0.194 0.000 0.994 971 I CA -0.485 60.919 61.300 0.173 0.000 1.144 971 I CB 1.855 39.967 38.000 0.187 0.000 1.314 971 I HN 0.223 nan 8.210 nan 0.000 0.445 972 Q N 4.824 124.683 119.800 0.098 0.000 2.257 972 Q HA 0.388 4.728 4.340 -0.000 0.000 0.255 972 Q C -1.292 174.696 176.000 -0.021 0.000 0.920 972 Q CA -0.508 55.320 55.803 0.042 0.000 0.927 972 Q CB 2.407 31.171 28.738 0.043 0.000 1.229 972 Q HN 0.401 nan 8.270 nan 0.000 0.433 973 F N 2.919 122.602 119.950 -0.446 0.000 2.434 973 F HA 0.203 4.730 4.527 0.000 0.000 0.367 973 F C -0.380 175.288 175.800 -0.221 0.000 1.093 973 F CA -1.722 55.976 58.000 -0.503 0.000 1.085 973 F CB 0.580 38.867 39.000 -1.189 0.000 1.322 973 F HN 0.499 nan 8.300 nan 0.000 0.452 974 D N 7.263 127.511 120.400 -0.253 0.000 2.525 974 D HA 0.041 4.681 4.640 -0.000 0.000 0.235 974 D C -1.544 174.615 176.300 -0.235 0.000 1.137 974 D CA -0.657 53.232 54.000 -0.186 0.000 0.868 974 D CB 1.223 41.956 40.800 -0.112 0.000 1.180 974 D HN 0.297 nan 8.370 nan 0.000 0.465 975 P HA -0.032 nan 4.420 nan 0.000 0.241 975 P C 0.127 177.515 177.300 0.147 0.000 1.191 975 P CA 0.675 63.807 63.100 0.054 0.000 0.771 975 P CB 0.546 32.283 31.700 0.061 0.000 0.929 976 E N -0.538 119.718 120.200 0.093 0.000 2.332 976 E HA 0.030 4.380 4.350 -0.000 0.000 0.202 976 E C 1.630 178.346 176.600 0.194 0.000 0.877 976 E CA 1.308 57.805 56.400 0.163 0.000 0.979 976 E CB -0.403 29.377 29.700 0.133 0.000 0.969 976 E HN 0.309 nan 8.360 nan 0.000 0.495 977 T N -2.826 111.713 114.554 -0.025 0.000 3.054 977 T HA 0.106 4.456 4.350 -0.000 0.000 0.255 977 T C 0.460 175.218 174.700 0.096 0.000 1.035 977 T CA -0.185 61.774 62.100 -0.235 0.000 0.941 977 T CB -0.442 68.147 68.868 -0.465 0.000 1.026 977 T HN 0.237 nan 8.240 nan 0.000 0.533 978 H N 0.603 119.601 119.070 -0.120 0.000 2.690 978 H HA -0.108 4.448 4.556 -0.000 0.000 0.309 978 H C -0.691 174.597 175.328 -0.067 0.000 1.138 978 H CA -0.091 55.697 56.048 -0.435 0.000 1.142 978 H CB -1.533 28.234 29.762 0.008 0.000 1.410 978 H HN 0.445 nan 8.280 nan 0.000 0.409 979 L N 1.987 123.219 121.223 0.015 0.000 2.307 979 L HA 0.406 4.746 4.340 -0.000 0.000 0.284 979 L C -1.876 175.099 176.870 0.175 0.000 1.023 979 L CA -1.784 53.127 54.840 0.119 0.000 0.810 979 L CB 1.465 43.530 42.059 0.010 0.000 1.231 979 L HN -0.029 nan 8.230 nan 0.000 0.423 980 P HA 0.295 nan 4.420 nan 0.000 0.284 980 P C -1.053 176.299 177.300 0.086 0.000 1.258 980 P CA -0.436 62.771 63.100 0.179 0.000 0.824 980 P CB 1.834 33.607 31.700 0.121 0.000 1.038 981 T N 0.778 115.373 114.554 0.069 0.000 3.186 981 T HA 0.194 4.544 4.350 -0.000 0.000 0.320 981 T C -0.298 174.435 174.700 0.055 0.000 0.955 981 T CA -0.363 61.767 62.100 0.049 0.000 1.030 981 T CB 0.641 69.531 68.868 0.038 0.000 1.013 981 T HN 0.073 nan 8.240 nan 0.000 0.454 982 V N 4.810 124.753 119.914 0.049 0.000 2.521 982 V HA 0.304 4.423 4.120 -0.000 0.000 0.286 982 V C 1.375 177.498 176.094 0.049 0.000 1.034 982 V CA -0.137 62.194 62.300 0.053 0.000 1.045 982 V CB 0.556 32.404 31.823 0.041 0.000 0.974 982 V HN 1.044 nan 8.190 nan 0.000 0.480 983 T N 0.439 115.028 114.554 0.059 0.000 2.849 983 T HA 0.220 4.570 4.350 -0.000 0.000 0.276 983 T C 0.812 175.540 174.700 0.047 0.000 0.971 983 T CA -0.246 61.886 62.100 0.052 0.000 0.949 983 T CB 0.855 69.759 68.868 0.061 0.000 1.093 983 T HN 0.588 nan 8.240 nan 0.000 0.545 984 D N -0.279 120.147 120.400 0.042 0.000 2.378 984 D HA -0.028 4.612 4.640 -0.000 0.000 0.222 984 D C 1.821 178.148 176.300 0.045 0.000 0.980 984 D CA 1.121 55.144 54.000 0.038 0.000 0.907 984 D CB -0.310 40.510 40.800 0.034 0.000 0.899 984 D HN 0.727 nan 8.370 nan 0.000 0.527 985 T N -2.050 112.536 114.554 0.054 0.000 3.088 985 T HA -0.033 4.317 4.350 -0.000 0.000 0.259 985 T C 1.380 176.109 174.700 0.050 0.000 1.122 985 T CA -0.228 61.908 62.100 0.060 0.000 1.095 985 T CB -0.914 68.004 68.868 0.083 0.000 0.930 985 T HN 0.252 nan 8.240 nan 0.000 0.508 986 C N 4.112 123.439 119.300 0.046 0.000 2.597 986 C HA 0.295 4.755 4.460 -0.000 0.000 0.412 986 C C 2.178 177.141 174.990 -0.045 0.000 1.348 986 C CA 0.715 59.747 59.018 0.023 0.000 1.769 986 C CB -0.072 27.682 27.740 0.022 0.000 2.641 986 C HN 0.689 nan 8.230 nan 0.000 0.612 987 T N 1.103 115.579 114.554 -0.129 0.000 3.044 987 T HA 0.333 4.683 4.350 -0.000 0.000 0.260 987 T C 1.274 175.823 174.700 -0.252 0.000 1.019 987 T CA 1.034 62.989 62.100 -0.242 0.000 0.921 987 T CB -0.094 68.489 68.868 -0.474 0.000 1.053 987 T HN 2.325 nan 8.240 nan 0.000 0.533 988 G N 1.060 109.785 108.800 -0.126 0.000 2.143 988 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.248 988 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.248 988 G C 1.425 176.292 174.900 -0.054 0.000 0.991 988 G CA 0.439 45.479 45.100 -0.099 0.000 0.689 988 G HN 1.318 nan 8.290 nan 0.000 0.522 989 C N -1.416 117.887 119.300 0.005 0.000 2.396 989 C HA 0.116 4.576 4.460 -0.000 0.000 0.277 989 C C 2.330 177.342 174.990 0.036 0.000 1.231 989 C CA 1.857 60.912 59.018 0.062 0.000 1.775 989 C CB -1.228 26.624 27.740 0.187 0.000 2.036 989 C HN 1.816 nan 8.230 nan 0.000 0.484 990 T N -0.567 114.004 114.554 0.028 0.000 5.504 990 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 990 T C 0.539 175.248 174.700 0.014 0.000 2.211 990 T CA 0.955 63.062 62.100 0.012 0.000 3.769 990 T CB -1.980 66.888 68.868 -0.000 0.000 0.563 990 T HN 0.709 nan 8.240 nan 0.000 1.119 991 L N 0.888 122.126 121.223 0.025 0.000 2.027 991 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 991 L C 3.141 180.011 176.870 -0.000 0.000 1.074 991 L CA 2.387 57.232 54.840 0.010 0.000 0.745 991 L CB -0.544 41.518 42.059 0.005 0.000 0.898 991 L HN 0.865 nan 8.230 nan 0.000 0.433 992 C N -0.659 118.645 119.300 0.006 0.000 2.386 992 C HA -0.272 4.189 4.460 -0.000 0.000 0.279 992 C C 2.595 177.581 174.990 -0.007 0.000 1.208 992 C CA 0.926 59.943 59.018 -0.003 0.000 1.747 992 C CB -1.391 26.355 27.740 0.009 0.000 2.046 992 C HN 0.592 nan 8.230 nan 0.000 0.453 993 L N 1.751 122.973 121.223 -0.002 0.000 2.089 993 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 993 L C 2.690 179.555 176.870 -0.008 0.000 1.079 993 L CA 2.460 57.297 54.840 -0.006 0.000 0.758 993 L CB -0.474 41.581 42.059 -0.006 0.000 0.891 993 L HN 0.554 nan 8.230 nan 0.000 0.433 994 S N -0.842 114.854 115.700 -0.007 0.000 2.399 994 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 994 S C 1.622 176.214 174.600 -0.013 0.000 1.022 994 S CA 1.390 59.584 58.200 -0.009 0.000 0.983 994 S CB -0.239 62.956 63.200 -0.008 0.000 0.803 994 S HN 0.610 nan 8.310 nan 0.000 0.480 995 V N -1.529 118.374 119.914 -0.018 0.000 3.660 995 V HA 0.316 4.436 4.120 -0.000 0.000 0.276 995 V C 0.974 177.053 176.094 -0.025 0.000 1.317 995 V CA -0.744 61.541 62.300 -0.025 0.000 1.097 995 V CB -1.173 30.630 31.823 -0.034 0.000 0.863 995 V HN 0.489 nan 8.190 nan 0.000 0.438 996 C N 4.477 123.765 119.300 -0.020 0.000 2.642 996 C HA 0.337 4.797 4.460 -0.000 0.000 0.420 996 C C 0.307 175.289 174.990 -0.012 0.000 1.349 996 C CA -0.212 58.795 59.018 -0.018 0.000 1.821 996 C CB 0.731 28.462 27.740 -0.014 0.000 2.637 996 C HN 0.580 nan 8.230 nan 0.000 0.605 997 P HA 0.112 nan 4.420 nan 0.000 0.245 997 P C 0.032 177.336 177.300 0.008 0.000 1.206 997 P CA 0.726 63.823 63.100 -0.004 0.000 0.781 997 P CB 0.020 31.717 31.700 -0.005 0.000 0.994 998 I N 1.701 122.276 120.570 0.008 0.000 2.339 998 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 998 I C 0.974 177.099 176.117 0.012 0.000 0.994 998 I CA -1.945 59.367 61.300 0.020 0.000 1.191 998 I CB 0.994 38.994 38.000 0.000 0.000 1.343 998 I HN -0.170 nan 8.210 nan 0.000 0.458 999 I N 6.375 126.966 120.570 0.035 0.000 2.668 999 I HA -0.040 4.130 4.170 -0.000 0.000 0.285 999 I C 0.522 176.646 176.117 0.012 0.000 1.168 999 I CA 0.481 61.798 61.300 0.028 0.000 1.424 999 I CB 0.045 38.071 38.000 0.043 0.000 1.377 999 I HN 0.586 nan 8.210 nan 0.000 0.560 1000 D N 2.787 123.187 120.400 -0.001 0.000 3.012 1000 D HA -0.222 4.418 4.640 -0.000 0.000 0.222 1000 D C 0.996 177.276 176.300 -0.034 0.000 1.167 1000 D CA 0.905 54.898 54.000 -0.012 0.000 0.854 1000 D CB -1.424 39.373 40.800 -0.005 0.000 1.107 1000 D HN 0.806 nan 8.370 nan 0.000 0.421 1001 C N -0.072 119.205 119.300 -0.039 0.000 2.475 1001 C HA 0.162 4.622 4.460 -0.000 0.000 0.279 1001 C C 1.156 176.128 174.990 -0.030 0.000 1.322 1001 C CA 0.104 59.091 59.018 -0.052 0.000 1.734 1001 C CB -0.375 27.337 27.740 -0.047 0.000 2.005 1001 C HN 0.349 nan 8.230 nan 0.000 0.495 1002 I N 1.455 122.013 120.570 -0.019 0.000 2.412 1002 I HA 0.450 4.620 4.170 -0.000 0.000 0.296 1002 I C -0.204 175.906 176.117 -0.012 0.000 0.987 1002 I CA -0.194 61.099 61.300 -0.012 0.000 1.180 1002 I CB 1.113 39.108 38.000 -0.007 0.000 1.340 1002 I HN 0.241 nan 8.210 nan 0.000 0.455 1003 R N 5.521 126.015 120.500 -0.011 0.000 2.795 1003 R HA 0.629 4.969 4.340 -0.000 0.000 0.275 1003 R C -1.228 175.064 176.300 -0.013 0.000 0.981 1003 R CA -1.030 55.063 56.100 -0.012 0.000 0.917 1003 R CB 2.165 32.458 30.300 -0.011 0.000 1.202 1003 R HN 0.379 nan 8.270 nan 0.000 0.469 1004 M N 2.695 122.285 119.600 -0.017 0.000 2.157 1004 M HA 0.335 4.815 4.480 -0.000 0.000 0.354 1004 M C -0.251 176.034 176.300 -0.025 0.000 1.170 1004 M CA -0.779 54.507 55.300 -0.024 0.000 1.060 1004 M CB 1.098 33.680 32.600 -0.030 0.000 1.615 1004 M HN 0.507 nan 8.290 nan 0.000 0.460 1005 V N 0.163 120.061 119.914 -0.026 0.000 3.074 1005 V HA 0.714 4.834 4.120 -0.000 0.000 0.314 1005 V C 0.154 176.230 176.094 -0.030 0.000 1.117 1005 V CA -0.953 61.333 62.300 -0.023 0.000 1.014 1005 V CB 1.681 33.495 31.823 -0.015 0.000 1.057 1005 V HN 0.776 nan 8.190 nan 0.000 0.438 1006 S N 1.574 117.258 115.700 -0.027 0.000 2.533 1006 S HA 0.273 4.743 4.470 -0.000 0.000 0.282 1006 S C 0.277 174.862 174.600 -0.026 0.000 1.304 1006 S CA -0.209 57.973 58.200 -0.030 0.000 1.063 1006 S CB -0.005 63.182 63.200 -0.022 0.000 0.881 1006 S HN 0.807 nan 8.310 nan 0.000 0.493 1007 R N 1.732 122.212 120.500 -0.034 0.000 2.449 1007 R HA 0.049 4.389 4.340 -0.000 0.000 0.296 1007 R C 1.372 177.669 176.300 -0.005 0.000 1.047 1007 R CA 0.361 56.447 56.100 -0.023 0.000 1.018 1007 R CB 0.228 30.508 30.300 -0.033 0.000 0.962 1007 R HN 0.875 nan 8.270 nan 0.000 0.428 1008 T N -0.946 113.609 114.554 0.001 0.000 3.031 1008 T HA -0.033 4.317 4.350 -0.000 0.000 0.254 1008 T C 0.899 175.607 174.700 0.014 0.000 1.060 1008 T CA 0.565 62.669 62.100 0.006 0.000 1.135 1008 T CB -0.020 68.851 68.868 0.005 0.000 0.896 1008 T HN 0.637 nan 8.240 nan 0.000 0.472 1009 T N 1.170 115.736 114.554 0.020 0.000 2.882 1009 T HA 0.551 4.901 4.350 -0.000 0.000 0.287 1009 T C -3.047 171.681 174.700 0.046 0.000 0.992 1009 T CA -2.187 59.930 62.100 0.029 0.000 1.076 1009 T CB 0.984 69.870 68.868 0.029 0.000 0.961 1009 T HN -0.065 nan 8.240 nan 0.000 0.490 1010 P HA 0.042 nan 4.420 nan 0.000 0.264 1010 P C -1.127 176.237 177.300 0.107 0.000 1.183 1010 P CA -0.194 62.942 63.100 0.060 0.000 0.763 1010 P CB 0.053 31.771 31.700 0.029 0.000 0.807 1011 Y N 2.665 122.951 120.300 -0.023 0.000 2.308 1011 Y HA 0.365 4.915 4.550 -0.000 0.000 0.329 1011 Y C 0.118 176.001 175.900 -0.028 0.000 1.111 1011 Y CA -0.804 57.277 58.100 -0.031 0.000 1.179 1011 Y CB 0.984 39.422 38.460 -0.036 0.000 1.201 1011 Y HN 0.375 nan 8.280 nan 0.000 0.483 1012 E N 7.572 127.440 120.200 -0.554 0.000 2.343 1012 E HA 0.365 4.715 4.350 -0.000 0.000 0.260 1012 E C -2.717 173.467 176.600 -0.694 0.000 0.908 1012 E CA -2.233 53.860 56.400 -0.511 0.000 0.814 1012 E CB 0.993 30.562 29.700 -0.219 0.000 1.302 1012 E HN 0.509 nan 8.360 nan 0.000 0.408 1013 P HA -0.069 nan 4.420 nan 0.000 0.266 1013 P C -1.063 176.097 177.300 -0.233 0.000 1.186 1013 P CA 0.269 63.073 63.100 -0.494 0.000 0.767 1013 P CB 0.461 31.996 31.700 -0.275 0.000 0.820 1014 K N 3.271 123.598 120.400 -0.122 0.000 2.268 1014 K HA 0.190 4.510 4.320 -0.000 0.000 0.276 1014 K C 0.975 177.572 176.600 -0.006 0.000 1.080 1014 K CA -0.500 55.761 56.287 -0.042 0.000 0.910 1014 K CB 0.950 33.460 32.500 0.016 0.000 1.163 1014 K HN 0.231 nan 8.250 nan 0.000 0.465 1015 R N 1.462 121.951 120.500 -0.018 0.000 2.246 1015 R HA 0.053 4.393 4.340 -0.000 0.000 0.199 1015 R C 1.423 177.728 176.300 0.007 0.000 0.984 1015 R CA 0.769 56.865 56.100 -0.005 0.000 1.015 1015 R CB -0.170 30.120 30.300 -0.017 0.000 0.930 1015 R HN 1.022 nan 8.270 nan 0.000 0.475 1016 G N 1.066 109.872 108.800 0.010 0.000 4.655 1016 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 1016 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 1016 G C 0.061 174.965 174.900 0.006 0.000 1.403 1016 G CA 0.113 45.222 45.100 0.015 0.000 0.931 1016 G HN 0.249 nan 8.290 nan 0.000 0.654 1017 L N 2.160 123.385 121.223 0.003 0.000 2.356 1017 L HA 0.488 4.828 4.340 -0.000 0.000 0.277 1017 L C -1.917 174.950 176.870 -0.004 0.000 0.996 1017 L CA -1.894 52.946 54.840 -0.000 0.000 0.822 1017 L CB 2.119 44.179 42.059 0.001 0.000 1.256 1017 L HN 0.147 nan 8.230 nan 0.000 0.413 1018 P HA 0.097 nan 4.420 nan 0.000 0.271 1018 P C -0.844 176.451 177.300 -0.008 0.000 1.233 1018 P CA -0.072 63.022 63.100 -0.010 0.000 0.795 1018 P CB 0.533 32.227 31.700 -0.010 0.000 0.936 1019 L N 0.136 121.353 121.223 -0.010 0.000 2.352 1019 L HA 0.658 4.998 4.340 -0.000 0.000 0.269 1019 L C 0.570 177.436 176.870 -0.007 0.000 1.034 1019 L CA -0.707 54.129 54.840 -0.008 0.000 0.806 1019 L CB 1.239 43.292 42.059 -0.009 0.000 1.244 1019 L HN 0.378 nan 8.230 nan 0.000 0.447 1020 A N 0.000 122.817 122.820 -0.005 0.000 2.254 1020 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1020 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 1020 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 1020 A HN 0.000 nan 8.150 nan 0.000 0.486