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 1ti4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGEVVRLTNS STGGPVFVYV KDGKIIRMTP MDFDDAVDAP SWKIEARGKT DATA SEQUENCE FTPPRKTSIA PYTAGFKSMI YSDLRIPYPM KRKSFDPNGE RNPQLRGAGL DATA SEQUENCE SKQDPWSDYE RISWDEATDI VVAEINRIKH AYGPSAILST PSSHHMWGNV DATA SEQUENCE GYRHSTYFRF MNMMGFTYAD HNPDSWEGWH WGGMHMWGFS WRLGNPEQYD DATA SEQUENCE LLEDGLKHAE MIVFWSSDPE TNSGIYAGFE SNIRRQWLKD LGVDFVFIDP DATA SEQUENCE HMNHTARLVA DKWFSPKIGT DHALSFAIAY TWLKEDSYDK EYVAANAHGF DATA SEQUENCE EEWADYVLGK TDGTPKTCEW AEEESGVPAC EIRALARQWA KKNTYLAAGG DATA SEQUENCE LGGWGGACRA SHGIEWARGM IALATMQGMG KPGSNMWSTT QGVPLDYEFY DATA SEQUENCE FPGYAEGGIS GDCENSAAGF KFAWRMFDGK TTFPSPSNLN TSAGQHIPRL DATA SEQUENCE KIPECIMGGK FQWSGKGFAG GDISHQLHQY EYPAPGYSKI KMFWKYGGPH DATA SEQUENCE LGTMTATNRY AKMYTHDSLE FVVSQSIWFE GEVPFADIIL PACTNFERWD DATA SEQUENCE ISEFANCSGY IPDNYQLCNH RVISLQAKCI EPVGESMSDY EIYRLFAKKL DATA SEQUENCE NIEEMFSEGK DELAWCEQYF NATDMPKYMT WDEFFKKGYF VVPDNPNRKK DATA SEQUENCE TVALRWFAEG REKDTPDWGP RLNNQVCRKG LQTTTGKVEF IATSLKNFEE DATA SEQUENCE QGYIDEHRPS MHTYVPAWES QKHSPLAVKY PLGMLSPHPR FSMHTMGDGK DATA SEQUENCE NSYMNYIKDH RVEVDGYKYW IMRVNSIDAE ARGIKNGDLI RAYNDRGSVI DATA SEQUENCE LAAQVTECLQ PGTVHSYESC AVYDPLGTAG KSADRGGCIN ILTPDRYISK DATA SEQUENCE YACGMANNTA LVEIEKWDGD KYEIY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 G N -0.636 108.177 108.800 0.022 0.000 2.682 2 G HA2 0.728 4.687 3.960 -0.001 0.000 0.303 2 G HA3 0.728 4.687 3.960 -0.001 0.000 0.303 2 G C -1.470 173.445 174.900 0.024 0.000 1.341 2 G CA -0.567 44.547 45.100 0.024 0.000 0.784 2 G HN -0.086 nan 8.290 nan 0.000 0.497 3 E N -0.883 119.332 120.200 0.026 0.000 2.302 3 E HA 0.524 4.874 4.350 -0.001 0.000 0.255 3 E C -0.211 176.412 176.600 0.039 0.000 1.099 3 E CA -0.694 55.723 56.400 0.028 0.000 0.929 3 E CB 1.894 31.608 29.700 0.023 0.000 1.203 3 E HN 0.186 nan 8.360 nan 0.000 0.459 4 V N 1.276 121.220 119.914 0.049 0.000 2.498 4 V HA 0.171 4.291 4.120 -0.001 0.000 0.279 4 V C 0.101 176.235 176.094 0.067 0.000 1.048 4 V CA -0.385 61.962 62.300 0.078 0.000 0.967 4 V CB 1.252 33.141 31.823 0.111 0.000 0.988 4 V HN 0.276 nan 8.190 nan 0.000 0.473 5 V N 5.651 125.595 119.914 0.050 0.000 2.555 5 V HA 0.489 4.609 4.120 -0.001 0.000 0.302 5 V C 0.135 176.174 176.094 -0.090 0.000 1.038 5 V CA -0.897 61.397 62.300 -0.010 0.000 0.887 5 V CB 1.931 33.748 31.823 -0.009 0.000 0.991 5 V HN 0.840 nan 8.190 nan 0.000 0.434 6 R N 4.193 124.564 120.500 -0.215 0.000 2.202 6 R HA 0.663 5.002 4.340 -0.001 0.000 0.334 6 R C -1.234 174.888 176.300 -0.298 0.000 1.036 6 R CA -0.264 55.544 56.100 -0.486 0.000 0.878 6 R CB 0.517 30.409 30.300 -0.680 0.000 1.067 6 R HN 0.680 nan 8.270 nan 0.000 0.457 7 L N 1.945 123.038 121.223 -0.217 0.000 2.260 7 L HA 0.595 4.934 4.340 -0.001 0.000 0.265 7 L C 0.109 176.991 176.870 0.020 0.000 1.015 7 L CA -1.017 53.767 54.840 -0.093 0.000 0.826 7 L CB 2.352 44.365 42.059 -0.077 0.000 1.373 7 L HN 0.688 nan 8.230 nan 0.000 0.450 8 T N -2.072 112.487 114.554 0.008 0.000 2.908 8 T HA 0.604 4.953 4.350 -0.001 0.000 0.290 8 T C -0.655 173.991 174.700 -0.091 0.000 1.034 8 T CA -0.687 61.424 62.100 0.018 0.000 1.010 8 T CB 2.387 71.279 68.868 0.040 0.000 1.068 8 T HN 0.568 nan 8.240 nan 0.000 0.481 9 N N -0.416 118.197 118.700 -0.145 0.000 3.339 9 N HA 0.544 5.283 4.740 -0.001 0.000 0.275 9 N C -1.552 173.814 175.510 -0.241 0.000 1.514 9 N CA -0.424 52.457 53.050 -0.282 0.000 0.879 9 N CB 1.824 39.912 38.487 -0.665 0.000 1.557 9 N HN 0.777 nan 8.380 nan 0.000 0.524 10 S N -1.138 114.399 115.700 -0.271 0.000 2.790 10 S HA 0.862 5.331 4.470 -0.001 0.000 0.292 10 S C -1.584 172.915 174.600 -0.168 0.000 1.197 10 S CA 0.235 58.333 58.200 -0.170 0.000 0.851 10 S CB 0.665 63.882 63.200 0.029 0.000 1.217 10 S HN 1.010 nan 8.310 nan 0.000 0.526 11 S N -0.632 114.899 115.700 -0.281 0.000 2.669 11 S HA 0.297 4.766 4.470 -0.001 0.000 0.266 11 S C 0.425 174.738 174.600 -0.480 0.000 1.149 11 S CA 0.232 58.309 58.200 -0.204 0.000 0.842 11 S CB 0.185 63.272 63.200 -0.188 0.000 1.160 11 S HN 1.210 nan 8.310 nan 0.000 0.487 12 T N -1.928 112.551 114.554 -0.125 0.000 3.163 12 T HA 0.264 4.613 4.350 -0.001 0.000 0.260 12 T C 1.271 176.057 174.700 0.143 0.000 1.156 12 T CA 0.975 63.069 62.100 -0.010 0.000 1.072 12 T CB -0.668 68.391 68.868 0.319 0.000 0.937 12 T HN 1.275 nan 8.240 nan 0.000 0.528 13 G N -0.059 108.774 108.800 0.055 0.000 3.651 13 G HA2 0.570 4.529 3.960 -0.001 0.000 0.279 13 G HA3 0.570 4.529 3.960 -0.001 0.000 0.279 13 G C 0.528 175.312 174.900 -0.192 0.000 1.024 13 G CA -0.148 44.942 45.100 -0.017 0.000 0.813 13 G HN 0.958 nan 8.290 nan 0.000 0.518 14 G N -0.181 108.426 108.800 -0.322 0.000 2.587 14 G HA2 0.085 4.044 3.960 -0.001 0.000 0.686 14 G HA3 0.085 4.044 3.960 -0.001 0.000 0.686 14 G C -3.262 171.262 174.900 -0.627 0.000 1.236 14 G CA -0.961 43.769 45.100 -0.616 0.000 0.820 14 G HN 0.138 nan 8.290 nan 0.000 0.645 15 P HA 0.486 nan 4.420 nan 0.000 0.270 15 P C 0.165 177.221 177.300 -0.407 0.000 1.223 15 P CA 0.073 62.857 63.100 -0.526 0.000 0.785 15 P CB 1.200 32.569 31.700 -0.552 0.000 0.923 16 V N -1.879 117.855 119.914 -0.301 0.000 3.087 16 V HA 0.551 4.670 4.120 -0.001 0.000 0.306 16 V C -1.184 174.810 176.094 -0.166 0.000 1.187 16 V CA -1.032 61.149 62.300 -0.199 0.000 0.999 16 V CB 1.754 33.587 31.823 0.015 0.000 1.049 16 V HN 0.287 nan 8.190 nan 0.000 0.431 17 F N 1.389 121.299 119.950 -0.066 0.000 2.408 17 F HA 0.735 5.261 4.527 -0.001 0.000 0.344 17 F C 0.055 175.816 175.800 -0.065 0.000 1.112 17 F CA -0.884 57.036 58.000 -0.133 0.000 1.096 17 F CB 2.123 41.026 39.000 -0.161 0.000 1.129 17 F HN 0.398 nan 8.300 nan 0.000 0.486 18 V N 4.622 124.590 119.914 0.091 0.000 2.378 18 V HA 0.214 4.333 4.120 -0.001 0.000 0.288 18 V C -0.953 175.110 176.094 -0.053 0.000 1.016 18 V CA -1.005 61.367 62.300 0.120 0.000 0.840 18 V CB 1.037 32.982 31.823 0.203 0.000 0.994 18 V HN 0.457 nan 8.190 nan 0.000 0.431 19 Y N 3.694 124.052 120.300 0.097 0.000 2.383 19 Y HA 0.545 5.094 4.550 -0.001 0.000 0.344 19 Y C 0.241 176.180 175.900 0.065 0.000 0.986 19 Y CA -0.466 57.667 58.100 0.055 0.000 1.175 19 Y CB 1.385 39.867 38.460 0.036 0.000 1.152 19 Y HN 0.384 nan 8.280 nan 0.000 0.511 20 V N 4.568 124.566 119.914 0.140 0.000 2.555 20 V HA 0.520 4.639 4.120 -0.001 0.000 0.302 20 V C -0.478 175.673 176.094 0.096 0.000 1.038 20 V CA -1.333 61.037 62.300 0.116 0.000 0.887 20 V CB 1.964 33.836 31.823 0.080 0.000 0.991 20 V HN 0.633 nan 8.190 nan 0.000 0.434 21 K N 2.502 122.955 120.400 0.088 0.000 2.513 21 K HA 0.337 4.656 4.320 -0.001 0.000 0.251 21 K C -0.906 175.727 176.600 0.054 0.000 0.939 21 K CA -0.527 55.799 56.287 0.065 0.000 0.793 21 K CB 1.436 33.971 32.500 0.059 0.000 1.241 21 K HN 0.747 nan 8.250 nan 0.000 0.431 22 D N 3.246 123.673 120.400 0.046 0.000 2.686 22 D HA -0.195 4.444 4.640 -0.001 0.000 0.235 22 D C 0.579 176.907 176.300 0.046 0.000 1.160 22 D CA 1.858 55.882 54.000 0.040 0.000 0.645 22 D CB -1.097 39.720 40.800 0.028 0.000 1.039 22 D HN 1.111 nan 8.370 nan 0.000 0.423 23 G N -0.005 108.830 108.800 0.059 0.000 2.153 23 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.252 23 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.252 23 G C 0.238 175.195 174.900 0.096 0.000 0.994 23 G CA 0.942 46.085 45.100 0.072 0.000 0.698 23 G HN 0.666 nan 8.290 nan 0.000 0.521 24 K N -0.010 120.448 120.400 0.097 0.000 2.378 24 K HA 0.663 4.982 4.320 -0.001 0.000 0.252 24 K C 0.144 176.845 176.600 0.168 0.000 0.931 24 K CA -1.274 55.090 56.287 0.129 0.000 0.794 24 K CB 1.065 33.587 32.500 0.036 0.000 1.181 24 K HN 0.095 nan 8.250 nan 0.000 0.425 25 I N 6.265 126.999 120.570 0.273 0.000 2.452 25 I HA 0.026 4.195 4.170 -0.001 0.000 0.287 25 I C 1.165 177.410 176.117 0.215 0.000 1.079 25 I CA -0.013 61.433 61.300 0.242 0.000 1.387 25 I CB 0.716 38.858 38.000 0.236 0.000 1.404 25 I HN 0.695 nan 8.210 nan 0.000 0.522 26 I N 5.854 126.531 120.570 0.178 0.000 2.494 26 I HA 0.031 4.200 4.170 -0.001 0.000 0.250 26 I C 0.942 177.138 176.117 0.131 0.000 1.112 26 I CA 0.553 61.933 61.300 0.132 0.000 1.438 26 I CB 0.053 38.117 38.000 0.106 0.000 1.111 26 I HN 0.661 nan 8.210 nan 0.000 0.431 27 R N 0.236 120.845 120.500 0.182 0.000 2.712 27 R HA 0.618 4.957 4.340 -0.001 0.000 0.272 27 R C -1.695 174.758 176.300 0.254 0.000 1.032 27 R CA -0.814 55.386 56.100 0.166 0.000 0.874 27 R CB 1.406 31.745 30.300 0.064 0.000 1.256 27 R HN -0.136 nan 8.270 nan 0.000 0.468 28 M N 1.706 121.431 119.600 0.208 0.000 2.263 28 M HA 0.409 4.888 4.480 -0.001 0.000 0.295 28 M C -0.990 175.424 176.300 0.191 0.000 1.028 28 M CA -0.710 54.726 55.300 0.226 0.000 0.921 28 M CB 2.703 35.404 32.600 0.169 0.000 1.601 28 M HN 0.967 nan 8.290 nan 0.000 0.440 29 T N 0.420 115.109 114.554 0.224 0.000 2.865 29 T HA 0.778 5.127 4.350 -0.001 0.000 0.294 29 T C -3.038 171.706 174.700 0.073 0.000 1.119 29 T CA -2.085 60.111 62.100 0.158 0.000 1.007 29 T CB 2.090 71.093 68.868 0.226 0.000 1.225 29 T HN 0.211 nan 8.240 nan 0.000 0.515 30 P HA 0.339 nan 4.420 nan 0.000 0.273 30 P C -0.613 176.607 177.300 -0.133 0.000 1.250 30 P CA -0.533 62.511 63.100 -0.093 0.000 0.793 30 P CB 0.322 31.982 31.700 -0.067 0.000 1.011 31 M N 1.099 120.504 119.600 -0.325 0.000 2.157 31 M HA 0.225 4.704 4.480 -0.001 0.000 0.354 31 M C -0.114 176.031 176.300 -0.258 0.000 1.170 31 M CA -0.151 54.855 55.300 -0.490 0.000 1.060 31 M CB 0.726 32.784 32.600 -0.904 0.000 1.615 31 M HN 0.164 nan 8.290 nan 0.000 0.460 32 D N 3.416 123.858 120.400 0.070 0.000 2.225 32 D HA 0.350 4.989 4.640 -0.001 0.000 0.248 32 D C -0.759 175.681 176.300 0.232 0.000 1.096 32 D CA 0.107 54.142 54.000 0.058 0.000 0.863 32 D CB 1.125 42.010 40.800 0.143 0.000 1.156 32 D HN 0.419 nan 8.370 nan 0.000 0.450 33 F N 0.737 120.698 119.950 0.019 0.000 2.382 33 F HA 0.078 4.604 4.527 -0.001 0.000 0.331 33 F C 1.239 177.092 175.800 0.089 0.000 1.121 33 F CA -0.725 57.304 58.000 0.049 0.000 1.183 33 F CB 1.162 40.130 39.000 -0.052 0.000 1.207 33 F HN 0.114 nan 8.300 nan 0.000 0.555 34 D N 2.194 122.788 120.400 0.324 0.000 2.460 34 D HA 0.088 4.727 4.640 -0.001 0.000 0.232 34 D C 0.274 176.644 176.300 0.118 0.000 1.079 34 D CA -0.397 53.717 54.000 0.189 0.000 0.864 34 D CB 0.619 41.524 40.800 0.174 0.000 1.048 34 D HN 0.392 nan 8.370 nan 0.000 0.523 35 D N 2.624 123.083 120.400 0.099 0.000 2.354 35 D HA -0.132 4.507 4.640 -0.001 0.000 0.216 35 D C 1.555 177.877 176.300 0.038 0.000 0.970 35 D CA 0.567 54.602 54.000 0.060 0.000 0.905 35 D CB 0.226 41.060 40.800 0.057 0.000 0.903 35 D HN 0.539 nan 8.370 nan 0.000 0.508 36 A N 0.162 123.007 122.820 0.042 0.000 2.021 36 A HA 0.019 4.338 4.320 -0.001 0.000 0.216 36 A C 2.112 179.710 177.584 0.022 0.000 1.163 36 A CA 1.125 53.180 52.037 0.031 0.000 0.676 36 A CB 0.166 19.185 19.000 0.032 0.000 0.818 36 A HN 0.240 nan 8.150 nan 0.000 0.453 37 V N -4.567 115.358 119.914 0.018 0.000 3.485 37 V HA 0.271 4.390 4.120 -0.001 0.000 0.280 37 V C -0.740 175.330 176.094 -0.041 0.000 1.495 37 V CA -0.298 62.001 62.300 -0.001 0.000 1.018 37 V CB 0.092 31.909 31.823 -0.010 0.000 0.818 37 V HN 0.153 nan 8.190 nan 0.000 0.436 38 D N 2.802 123.165 120.400 -0.062 0.000 2.280 38 D HA 0.681 5.320 4.640 -0.001 0.000 0.236 38 D C 0.541 176.737 176.300 -0.172 0.000 1.082 38 D CA 0.436 54.327 54.000 -0.181 0.000 0.834 38 D CB 1.990 42.639 40.800 -0.252 0.000 1.100 38 D HN 0.506 nan 8.370 nan 0.000 0.486 39 A N 3.946 126.633 122.820 -0.222 0.000 2.586 39 A HA 0.220 4.539 4.320 -0.001 0.000 0.231 39 A C -2.017 175.502 177.584 -0.108 0.000 1.055 39 A CA -0.462 51.483 52.037 -0.153 0.000 0.756 39 A CB -0.471 18.404 19.000 -0.208 0.000 0.988 39 A HN 0.330 nan 8.150 nan 0.000 0.509 40 P HA 0.203 nan 4.420 nan 0.000 0.270 40 P C -0.144 177.180 177.300 0.040 0.000 1.223 40 P CA -0.103 63.003 63.100 0.010 0.000 0.785 40 P CB 0.584 32.295 31.700 0.019 0.000 0.923 41 S N 0.661 116.398 115.700 0.060 0.000 2.669 41 S HA 0.333 4.803 4.470 -0.001 0.000 0.270 41 S C -0.058 174.513 174.600 -0.049 0.000 1.225 41 S CA -0.708 57.498 58.200 0.009 0.000 0.991 41 S CB 0.199 63.364 63.200 -0.058 0.000 0.987 41 S HN 0.497 nan 8.310 nan 0.000 0.552 42 W N 0.390 121.720 121.300 0.051 0.000 2.129 42 W HA 0.594 5.253 4.660 -0.001 0.000 0.349 42 W C -0.730 175.819 176.519 0.049 0.000 1.279 42 W CA -0.644 56.719 57.345 0.030 0.000 1.306 42 W CB -0.027 29.434 29.460 0.002 0.000 1.140 42 W HN 0.382 nan 8.180 nan 0.000 0.613 43 K N 1.462 122.124 120.400 0.437 0.000 2.422 43 K HA 0.610 4.929 4.320 -0.001 0.000 0.251 43 K C -1.089 175.728 176.600 0.362 0.000 0.933 43 K CA -0.937 55.535 56.287 0.309 0.000 0.798 43 K CB 2.703 35.274 32.500 0.119 0.000 1.238 43 K HN 0.376 nan 8.250 nan 0.000 0.428 44 I N 2.520 123.287 120.570 0.328 0.000 2.439 44 I HA 0.190 4.359 4.170 -0.001 0.000 0.285 44 I C -0.873 175.340 176.117 0.160 0.000 1.021 44 I CA -0.810 60.624 61.300 0.223 0.000 1.091 44 I CB 1.998 40.129 38.000 0.219 0.000 1.242 44 I HN 0.463 nan 8.210 nan 0.000 0.439 45 E N 5.291 125.541 120.200 0.084 0.000 2.200 45 E HA 0.721 5.070 4.350 -0.001 0.000 0.283 45 E C -0.650 175.990 176.600 0.067 0.000 1.015 45 E CA -0.245 56.174 56.400 0.032 0.000 0.819 45 E CB 1.678 31.380 29.700 0.004 0.000 1.081 45 E HN 0.635 nan 8.360 nan 0.000 0.397 46 A N 3.180 126.065 122.820 0.108 0.000 2.547 46 A HA 0.549 4.869 4.320 -0.001 0.000 0.297 46 A C -0.611 177.055 177.584 0.136 0.000 1.056 46 A CA -0.888 51.226 52.037 0.129 0.000 0.688 46 A CB 0.958 20.063 19.000 0.175 0.000 1.282 46 A HN 0.672 nan 8.150 nan 0.000 0.400 47 R N 0.908 121.450 120.500 0.070 0.000 3.184 47 R HA -0.243 4.097 4.340 -0.001 0.000 0.242 47 R C 1.220 177.544 176.300 0.040 0.000 0.907 47 R CA 1.362 57.501 56.100 0.065 0.000 0.618 47 R CB -1.714 28.644 30.300 0.097 0.000 1.016 47 R HN 2.496 nan 8.270 nan 0.000 0.469 48 G N -0.724 108.077 108.800 0.002 0.000 2.189 48 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.267 48 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.267 48 G C 0.063 174.902 174.900 -0.102 0.000 0.975 48 G CA 1.075 46.154 45.100 -0.035 0.000 0.644 48 G HN 0.457 nan 8.290 nan 0.000 0.537 49 K N -0.521 119.773 120.400 -0.177 0.000 2.400 49 K HA 0.674 4.993 4.320 -0.001 0.000 0.246 49 K C -0.815 175.448 176.600 -0.562 0.000 0.995 49 K CA -0.646 55.383 56.287 -0.431 0.000 0.840 49 K CB 1.795 33.874 32.500 -0.701 0.000 1.293 49 K HN 0.019 nan 8.250 nan 0.000 0.445 50 T N 1.873 116.045 114.554 -0.637 0.000 2.772 50 T HA 0.437 4.786 4.350 -0.001 0.000 0.288 50 T C -1.028 173.265 174.700 -0.677 0.000 0.994 50 T CA -0.523 61.295 62.100 -0.470 0.000 0.951 50 T CB -0.045 68.680 68.868 -0.239 0.000 0.933 50 T HN 0.222 nan 8.240 nan 0.000 0.447 51 F N 2.004 121.756 119.950 -0.330 0.000 2.415 51 F HA 0.597 5.123 4.527 -0.001 0.000 0.348 51 F C 0.930 176.548 175.800 -0.303 0.000 1.119 51 F CA -0.703 56.913 58.000 -0.640 0.000 1.069 51 F CB 1.806 40.047 39.000 -1.264 0.000 1.124 51 F HN 0.341 nan 8.300 nan 0.000 0.472 52 T N 4.833 119.364 114.554 -0.038 0.000 2.912 52 T HA 0.498 4.847 4.350 -0.001 0.000 0.299 52 T C -2.809 171.906 174.700 0.025 0.000 1.052 52 T CA -1.964 60.037 62.100 -0.165 0.000 0.996 52 T CB 1.626 70.415 68.868 -0.132 0.000 1.070 52 T HN 0.330 nan 8.240 nan 0.000 0.465 53 P HA 0.429 nan 4.420 nan 0.000 0.274 53 P C -2.782 174.529 177.300 0.019 0.000 1.246 53 P CA -1.407 61.633 63.100 -0.100 0.000 0.795 53 P CB -0.532 30.951 31.700 -0.362 0.000 1.006 54 P HA 0.199 nan 4.420 nan 0.000 0.271 54 P C 0.328 177.642 177.300 0.023 0.000 1.218 54 P CA -0.084 63.031 63.100 0.024 0.000 0.780 54 P CB 0.300 31.988 31.700 -0.021 0.000 0.901 55 R N 2.793 123.268 120.500 -0.042 0.000 4.902 55 R HA 0.134 4.473 4.340 -0.001 0.000 0.201 55 R C 0.410 176.350 176.300 -0.600 0.000 2.020 55 R CA 0.380 56.411 56.100 -0.114 0.000 1.674 55 R CB -0.702 29.617 30.300 0.032 0.000 1.349 55 R HN 0.496 nan 8.270 nan 0.000 0.813 56 K N -0.353 119.550 120.400 -0.828 0.000 2.642 56 K HA 0.135 4.454 4.320 -0.001 0.000 0.290 56 K C -0.732 175.503 176.600 -0.608 0.000 1.006 56 K CA -0.500 55.234 56.287 -0.922 0.000 0.869 56 K CB 1.494 33.756 32.500 -0.396 0.000 1.499 56 K HN 0.090 nan 8.250 nan 0.000 0.403 57 T N -1.223 113.060 114.554 -0.452 0.000 2.884 57 T HA 0.683 5.032 4.350 -0.001 0.000 0.277 57 T C -0.014 174.655 174.700 -0.051 0.000 0.976 57 T CA -0.375 61.675 62.100 -0.084 0.000 0.956 57 T CB 1.210 70.024 68.868 -0.090 0.000 1.113 57 T HN 0.672 nan 8.240 nan 0.000 0.554 58 S N -0.389 115.348 115.700 0.062 0.000 2.618 58 S HA 0.774 5.243 4.470 -0.001 0.000 0.277 58 S C -0.666 173.948 174.600 0.023 0.000 1.138 58 S CA -1.095 57.142 58.200 0.061 0.000 0.844 58 S CB 1.094 64.385 63.200 0.151 0.000 1.127 58 S HN 1.234 nan 8.310 nan 0.000 0.474 59 I N -1.497 119.089 120.570 0.026 0.000 3.042 59 I HA 0.939 5.108 4.170 -0.001 0.000 0.310 59 I C -0.134 175.929 176.117 -0.090 0.000 1.117 59 I CA -1.629 59.626 61.300 -0.075 0.000 1.003 59 I CB 1.584 39.528 38.000 -0.093 0.000 1.228 59 I HN 0.872 nan 8.210 nan 0.000 0.443 60 A N 3.552 126.166 122.820 -0.345 0.000 2.271 60 A HA 0.657 4.976 4.320 -0.001 0.000 0.288 60 A C -1.920 175.403 177.584 -0.436 0.000 1.094 60 A CA -1.544 50.129 52.037 -0.606 0.000 0.828 60 A CB -0.094 18.186 19.000 -1.200 0.000 1.091 60 A HN 0.707 nan 8.150 nan 0.000 0.493 61 P HA -0.219 nan 4.420 nan 0.000 0.214 61 P C 0.919 178.172 177.300 -0.079 0.000 1.163 61 P CA 2.214 65.275 63.100 -0.064 0.000 0.889 61 P CB -0.274 31.519 31.700 0.155 0.000 0.790 62 Y N -2.277 118.065 120.300 0.070 0.000 2.483 62 Y HA -0.016 4.533 4.550 -0.001 0.000 0.291 62 Y C 1.899 177.880 175.900 0.136 0.000 1.143 62 Y CA 1.053 59.191 58.100 0.063 0.000 1.289 62 Y CB -2.263 36.213 38.460 0.026 0.000 0.983 62 Y HN -0.143 nan 8.280 nan 0.000 0.556 63 T N 0.134 114.703 114.554 0.024 0.000 2.976 63 T HA 0.145 4.494 4.350 -0.001 0.000 0.257 63 T C 2.217 176.984 174.700 0.112 0.000 1.051 63 T CA 0.869 63.036 62.100 0.112 0.000 1.141 63 T CB -0.355 68.482 68.868 -0.052 0.000 0.881 63 T HN 0.524 nan 8.240 nan 0.000 0.461 64 A N 1.091 123.937 122.820 0.044 0.000 1.972 64 A HA 0.137 4.456 4.320 -0.001 0.000 0.219 64 A C 2.188 179.850 177.584 0.129 0.000 1.169 64 A CA 1.673 53.752 52.037 0.070 0.000 0.635 64 A CB -0.771 18.255 19.000 0.042 0.000 0.810 64 A HN 0.497 nan 8.150 nan 0.000 0.446 65 G N -2.799 106.092 108.800 0.153 0.000 3.393 65 G HA2 0.244 4.203 3.960 -0.001 0.000 0.255 65 G HA3 0.244 4.203 3.960 -0.001 0.000 0.255 65 G C 0.825 175.767 174.900 0.070 0.000 1.097 65 G CA 0.204 45.422 45.100 0.198 0.000 0.780 65 G HN 0.342 nan 8.290 nan 0.000 0.540 66 F N 1.497 121.424 119.950 -0.038 0.000 2.236 66 F HA -0.070 4.456 4.527 -0.001 0.000 0.302 66 F C 2.434 178.099 175.800 -0.225 0.000 1.073 66 F CA 1.665 59.596 58.000 -0.116 0.000 1.336 66 F CB 0.266 39.197 39.000 -0.114 0.000 1.040 66 F HN 0.194 nan 8.300 nan 0.000 0.507 67 K N 0.128 120.440 120.400 -0.146 0.000 2.103 67 K HA -0.207 4.112 4.320 -0.001 0.000 0.207 67 K C 2.194 178.596 176.600 -0.331 0.000 1.048 67 K CA 1.681 57.836 56.287 -0.219 0.000 0.930 67 K CB -0.319 32.194 32.500 0.021 0.000 0.716 67 K HN 0.408 nan 8.250 nan 0.000 0.444 68 S N -0.050 115.343 115.700 -0.512 0.000 2.474 68 S HA -0.108 4.361 4.470 -0.001 0.000 0.235 68 S C 1.827 176.151 174.600 -0.460 0.000 0.997 68 S CA 0.879 58.657 58.200 -0.703 0.000 0.949 68 S CB -0.150 62.153 63.200 -1.495 0.000 0.766 68 S HN 0.295 nan 8.310 nan 0.000 0.517 69 M N 0.510 119.780 119.600 -0.549 0.000 2.357 69 M HA 0.249 4.728 4.480 -0.001 0.000 0.266 69 M C 1.951 178.145 176.300 -0.177 0.000 1.095 69 M CA 0.934 55.949 55.300 -0.476 0.000 1.156 69 M CB -0.339 31.734 32.600 -0.878 0.000 1.365 69 M HN 0.286 nan 8.290 nan 0.000 0.447 70 I N -0.963 119.332 120.570 -0.458 0.000 2.252 70 I HA -0.261 3.909 4.170 -0.001 0.000 0.245 70 I C 1.024 176.951 176.117 -0.318 0.000 1.102 70 I CA 1.348 62.403 61.300 -0.408 0.000 1.385 70 I CB -0.198 37.397 38.000 -0.675 0.000 1.064 70 I HN 0.227 nan 8.210 nan 0.000 0.414 71 Y N 0.660 120.905 120.300 -0.093 0.000 2.645 71 Y HA 0.244 4.793 4.550 -0.001 0.000 0.307 71 Y C 1.238 177.111 175.900 -0.044 0.000 1.151 71 Y CA -0.706 57.359 58.100 -0.059 0.000 1.291 71 Y CB -0.531 37.892 38.460 -0.062 0.000 1.135 71 Y HN -0.080 nan 8.280 nan 0.000 0.523 72 S N 1.228 116.989 115.700 0.101 0.000 2.549 72 S HA -0.037 4.432 4.470 -0.001 0.000 0.286 72 S C 1.113 175.783 174.600 0.116 0.000 1.314 72 S CA -0.371 57.888 58.200 0.097 0.000 1.062 72 S CB 0.466 63.773 63.200 0.178 0.000 0.865 72 S HN 0.575 nan 8.310 nan 0.000 0.498 73 D N 3.897 124.344 120.400 0.078 0.000 2.363 73 D HA -0.034 4.605 4.640 -0.001 0.000 0.226 73 D C 1.087 177.455 176.300 0.113 0.000 1.020 73 D CA 0.585 54.613 54.000 0.047 0.000 0.892 73 D CB -0.208 40.590 40.800 -0.002 0.000 0.900 73 D HN 0.526 nan 8.370 nan 0.000 0.531 74 L N -0.752 120.607 121.223 0.226 0.000 2.667 74 L HA 0.253 4.593 4.340 -0.001 0.000 0.232 74 L C 0.786 177.914 176.870 0.429 0.000 1.138 74 L CA -0.668 54.414 54.840 0.403 0.000 0.921 74 L CB 0.025 42.284 42.059 0.333 0.000 1.180 74 L HN -0.111 nan 8.230 nan 0.000 0.487 75 R N 1.565 122.241 120.500 0.294 0.000 2.537 75 R HA 0.138 4.477 4.340 -0.001 0.000 0.280 75 R C -0.134 176.182 176.300 0.025 0.000 1.058 75 R CA 0.059 56.204 56.100 0.074 0.000 1.057 75 R CB 0.156 30.451 30.300 -0.008 0.000 0.973 75 R HN 0.059 nan 8.270 nan 0.000 0.438 76 I N 9.025 129.540 120.570 -0.093 0.000 2.578 76 I HA 0.013 4.182 4.170 -0.001 0.000 0.286 76 I C -1.366 174.629 176.117 -0.202 0.000 1.126 76 I CA -1.332 59.895 61.300 -0.122 0.000 1.380 76 I CB 0.978 38.875 38.000 -0.173 0.000 1.408 76 I HN 0.647 nan 8.210 nan 0.000 0.532 77 P HA -0.117 nan 4.420 nan 0.000 0.215 77 P C -0.904 176.123 177.300 -0.455 0.000 1.157 77 P CA 1.539 64.305 63.100 -0.557 0.000 0.868 77 P CB 0.135 31.164 31.700 -1.119 0.000 0.788 78 Y N -7.952 112.300 120.300 -0.081 0.000 2.818 78 Y HA 0.559 5.108 4.550 -0.001 0.000 0.341 78 Y C -3.278 172.440 175.900 -0.304 0.000 1.283 78 Y CA -3.837 54.164 58.100 -0.165 0.000 1.075 78 Y CB -0.870 37.521 38.460 -0.115 0.000 1.370 78 Y HN -0.397 nan 8.280 nan 0.000 0.448 79 P HA 0.247 nan 4.420 nan 0.000 0.265 79 P C -0.875 176.390 177.300 -0.058 0.000 1.193 79 P CA 0.644 63.513 63.100 -0.386 0.000 0.765 79 P CB 0.335 31.648 31.700 -0.646 0.000 0.823 80 M N 2.536 122.095 119.600 -0.068 0.000 2.530 80 M HA 0.444 4.923 4.480 -0.001 0.000 0.307 80 M C -0.116 176.254 176.300 0.117 0.000 1.161 80 M CA -0.597 54.737 55.300 0.056 0.000 0.903 80 M CB 2.874 35.456 32.600 -0.030 0.000 1.711 80 M HN 0.103 nan 8.290 nan 0.000 0.451 81 K N 1.824 122.362 120.400 0.231 0.000 2.378 81 K HA 0.490 4.809 4.320 -0.001 0.000 0.252 81 K C -1.110 175.648 176.600 0.264 0.000 0.931 81 K CA -0.782 55.657 56.287 0.252 0.000 0.794 81 K CB 2.180 34.789 32.500 0.181 0.000 1.181 81 K HN 0.770 nan 8.250 nan 0.000 0.425 82 R N 3.698 124.293 120.500 0.159 0.000 2.370 82 R HA 0.035 4.374 4.340 -0.001 0.000 0.309 82 R C 0.543 176.838 176.300 -0.007 0.000 1.059 82 R CA 0.355 56.336 56.100 -0.199 0.000 0.981 82 R CB 0.567 30.758 30.300 -0.182 0.000 0.972 82 R HN 0.683 nan 8.270 nan 0.000 0.437 83 K N 1.470 121.820 120.400 -0.083 0.000 2.044 83 K HA -0.159 4.160 4.320 -0.001 0.000 0.210 83 K C 1.522 178.136 176.600 0.023 0.000 1.049 83 K CA 2.157 58.439 56.287 -0.008 0.000 0.927 83 K CB -0.022 32.460 32.500 -0.030 0.000 0.713 83 K HN 0.698 nan 8.250 nan 0.000 0.443 84 S N 0.379 116.086 115.700 0.013 0.000 2.660 84 S HA -0.028 4.441 4.470 -0.001 0.000 0.223 84 S C 0.194 174.867 174.600 0.121 0.000 0.963 84 S CA -0.241 57.985 58.200 0.044 0.000 0.932 84 S CB -0.445 62.771 63.200 0.026 0.000 0.775 84 S HN 0.212 nan 8.310 nan 0.000 0.531 85 F N 2.797 122.750 119.950 0.005 0.000 2.388 85 F HA 0.529 5.055 4.527 -0.001 0.000 0.358 85 F C -0.628 175.202 175.800 0.049 0.000 1.122 85 F CA -1.398 56.631 58.000 0.049 0.000 1.056 85 F CB 1.104 40.157 39.000 0.090 0.000 1.155 85 F HN -0.018 nan 8.300 nan 0.000 0.461 86 D N 8.839 128.840 120.400 -0.665 0.000 2.454 86 D HA 0.320 4.959 4.640 -0.001 0.000 0.247 86 D C -2.119 173.726 176.300 -0.757 0.000 1.129 86 D CA -2.252 51.418 54.000 -0.551 0.000 0.877 86 D CB 2.192 42.842 40.800 -0.250 0.000 1.082 86 D HN 0.237 nan 8.370 nan 0.000 0.537 87 P HA -0.105 nan 4.420 nan 0.000 0.217 87 P C 0.088 177.241 177.300 -0.246 0.000 1.151 87 P CA 1.182 63.995 63.100 -0.479 0.000 0.849 87 P CB 0.310 31.884 31.700 -0.210 0.000 0.787 88 N N -1.646 116.940 118.700 -0.189 0.000 2.320 88 N HA 0.297 5.037 4.740 -0.001 0.000 0.237 88 N C 0.625 176.077 175.510 -0.097 0.000 1.129 88 N CA 0.084 53.069 53.050 -0.108 0.000 0.854 88 N CB 0.605 39.050 38.487 -0.070 0.000 1.083 88 N HN 0.123 nan 8.380 nan 0.000 0.504 89 G N -0.841 107.879 108.800 -0.133 0.000 3.008 89 G HA2 0.115 4.075 3.960 -0.001 0.000 0.148 89 G HA3 0.115 4.075 3.960 -0.001 0.000 0.148 89 G C -1.224 173.619 174.900 -0.095 0.000 1.184 89 G CA -0.462 44.582 45.100 -0.094 0.000 1.087 89 G HN -0.070 nan 8.290 nan 0.000 0.602 90 E N 1.260 121.413 120.200 -0.079 0.000 2.265 90 E HA 0.248 4.597 4.350 -0.001 0.000 0.272 90 E C 0.920 177.476 176.600 -0.075 0.000 1.067 90 E CA -0.134 56.238 56.400 -0.047 0.000 0.900 90 E CB 1.564 31.251 29.700 -0.021 0.000 1.017 90 E HN 0.419 nan 8.360 nan 0.000 0.431 91 R N 2.121 122.608 120.500 -0.021 0.000 2.246 91 R HA 0.039 4.378 4.340 -0.001 0.000 0.199 91 R C -0.077 176.347 176.300 0.206 0.000 0.984 91 R CA -0.185 55.952 56.100 0.062 0.000 1.015 91 R CB 0.085 30.498 30.300 0.189 0.000 0.930 91 R HN 0.461 nan 8.270 nan 0.000 0.475 92 N N 0.898 119.672 118.700 0.124 0.000 2.686 92 N HA -0.127 4.612 4.740 -0.001 0.000 0.261 92 N C -2.188 173.419 175.510 0.161 0.000 1.001 92 N CA 0.406 53.528 53.050 0.119 0.000 0.764 92 N CB -0.599 37.944 38.487 0.093 0.000 0.898 92 N HN 0.208 nan 8.380 nan 0.000 0.544 93 P HA -0.198 nan 4.420 nan 0.000 0.218 93 P C 1.755 179.150 177.300 0.159 0.000 1.148 93 P CA 1.174 64.386 63.100 0.187 0.000 0.822 93 P CB 0.136 31.938 31.700 0.169 0.000 0.784 94 Q N -0.076 119.796 119.800 0.120 0.000 2.437 94 Q HA -0.099 4.240 4.340 -0.001 0.000 0.210 94 Q C 1.276 177.341 176.000 0.109 0.000 0.972 94 Q CA 1.313 57.180 55.803 0.107 0.000 0.903 94 Q CB -1.028 27.754 28.738 0.074 0.000 0.967 94 Q HN 0.340 nan 8.270 nan 0.000 0.486 95 L N 0.748 122.034 121.223 0.105 0.000 2.700 95 L HA 0.297 4.636 4.340 -0.001 0.000 0.234 95 L C 0.465 177.377 176.870 0.070 0.000 1.156 95 L CA -0.335 54.550 54.840 0.076 0.000 0.946 95 L CB 0.230 42.321 42.059 0.053 0.000 1.216 95 L HN -0.044 nan 8.230 nan 0.000 0.493 96 R N 0.624 121.202 120.500 0.129 0.000 2.370 96 R HA 0.297 4.636 4.340 -0.001 0.000 0.309 96 R C 1.105 177.493 176.300 0.146 0.000 1.059 96 R CA 0.708 56.894 56.100 0.143 0.000 0.981 96 R CB 0.510 30.961 30.300 0.252 0.000 0.972 96 R HN 0.286 nan 8.270 nan 0.000 0.437 97 G N 1.882 110.623 108.800 -0.097 0.000 2.157 97 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.248 97 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.248 97 G C 0.898 175.708 174.900 -0.150 0.000 0.979 97 G CA 0.268 45.145 45.100 -0.371 0.000 0.650 97 G HN 0.719 nan 8.290 nan 0.000 0.529 98 A N 0.241 123.023 122.820 -0.064 0.000 1.883 98 A HA 0.264 4.583 4.320 -0.001 0.000 0.217 98 A C 2.848 180.406 177.584 -0.043 0.000 1.186 98 A CA 2.442 54.463 52.037 -0.026 0.000 0.624 98 A CB -1.068 17.924 19.000 -0.014 0.000 0.822 98 A HN 1.659 nan 8.150 nan 0.000 0.444 99 G N -0.328 108.434 108.800 -0.064 0.000 2.446 99 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.217 99 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.217 99 G C 1.442 176.316 174.900 -0.043 0.000 1.168 99 G CA 1.244 46.327 45.100 -0.028 0.000 0.771 99 G HN 0.384 nan 8.290 nan 0.000 0.551 100 L N 1.221 122.373 121.223 -0.118 0.000 2.079 100 L HA -0.020 4.319 4.340 -0.001 0.000 0.210 100 L C 2.955 179.766 176.870 -0.098 0.000 1.081 100 L CA 1.906 56.651 54.840 -0.159 0.000 0.752 100 L CB -0.623 41.247 42.059 -0.314 0.000 0.896 100 L HN 0.182 nan 8.230 nan 0.000 0.433 101 S N -0.595 115.073 115.700 -0.054 0.000 2.474 101 S HA -0.119 4.350 4.470 -0.001 0.000 0.235 101 S C 1.308 175.907 174.600 -0.003 0.000 0.997 101 S CA 1.121 59.318 58.200 -0.005 0.000 0.949 101 S CB -0.230 62.988 63.200 0.030 0.000 0.766 101 S HN 0.610 nan 8.310 nan 0.000 0.517 102 K N 0.298 120.693 120.400 -0.008 0.000 2.537 102 K HA 0.349 4.668 4.320 -0.001 0.000 0.206 102 K C -0.529 176.075 176.600 0.006 0.000 1.041 102 K CA -0.239 56.051 56.287 0.004 0.000 1.090 102 K CB 0.240 32.746 32.500 0.011 0.000 0.833 102 K HN -0.149 nan 8.250 nan 0.000 0.493 103 Q N 1.223 121.017 119.800 -0.011 0.000 2.457 103 Q HA -0.198 4.141 4.340 -0.001 0.000 0.283 103 Q C -0.946 175.077 176.000 0.038 0.000 1.234 103 Q CA 1.480 57.279 55.803 -0.005 0.000 0.877 103 Q CB -1.685 27.052 28.738 -0.001 0.000 1.250 103 Q HN 0.585 nan 8.270 nan 0.000 0.481 104 D N -2.305 118.125 120.400 0.050 0.000 2.846 104 D HA 0.246 4.885 4.640 -0.001 0.000 0.279 104 D C -2.080 174.304 176.300 0.139 0.000 1.222 104 D CA -1.815 52.250 54.000 0.108 0.000 0.769 104 D CB 0.855 41.707 40.800 0.087 0.000 1.299 104 D HN -0.112 nan 8.370 nan 0.000 0.537 105 P HA -0.145 nan 4.420 nan 0.000 0.214 105 P C 1.268 178.772 177.300 0.339 0.000 1.169 105 P CA 1.350 64.556 63.100 0.178 0.000 0.908 105 P CB 0.047 31.813 31.700 0.110 0.000 0.791 106 W N 0.378 121.837 121.300 0.264 0.000 2.325 106 W HA -0.182 4.477 4.660 -0.001 0.000 0.299 106 W C 2.712 179.286 176.519 0.092 0.000 1.215 106 W CA 1.951 59.318 57.345 0.037 0.000 1.244 106 W CB -1.672 27.721 29.460 -0.111 0.000 1.140 106 W HN 0.016 nan 8.180 nan 0.000 0.523 107 S N -0.699 115.177 115.700 0.292 0.000 2.500 107 S HA -0.197 4.272 4.470 -0.001 0.000 0.239 107 S C 1.294 175.945 174.600 0.085 0.000 0.989 107 S CA 1.611 59.907 58.200 0.160 0.000 0.951 107 S CB -0.387 62.877 63.200 0.106 0.000 0.759 107 S HN 0.170 nan 8.310 nan 0.000 0.523 108 D N 0.088 120.528 120.400 0.066 0.000 2.317 108 D HA 0.173 4.812 4.640 -0.001 0.000 0.211 108 D C -0.346 175.689 176.300 -0.441 0.000 0.966 108 D CA 0.631 54.506 54.000 -0.208 0.000 0.876 108 D CB 0.098 40.697 40.800 -0.334 0.000 0.927 108 D HN 0.538 nan 8.370 nan 0.000 0.519 109 Y N 0.132 120.463 120.300 0.052 0.000 2.549 109 Y HA 0.399 4.948 4.550 -0.001 0.000 0.339 109 Y C 0.291 176.231 175.900 0.066 0.000 1.053 109 Y CA -1.229 56.899 58.100 0.047 0.000 1.105 109 Y CB 1.259 39.724 38.460 0.009 0.000 1.258 109 Y HN -0.221 nan 8.280 nan 0.000 0.478 110 E N 0.747 121.072 120.200 0.209 0.000 2.288 110 E HA 0.527 4.876 4.350 -0.001 0.000 0.268 110 E C -1.181 175.491 176.600 0.119 0.000 0.885 110 E CA -1.393 55.084 56.400 0.128 0.000 0.767 110 E CB 2.332 32.072 29.700 0.067 0.000 1.220 110 E HN 0.583 nan 8.360 nan 0.000 0.427 111 R N 2.568 123.084 120.500 0.027 0.000 2.490 111 R HA 0.429 4.768 4.340 -0.001 0.000 0.280 111 R C -0.273 175.947 176.300 -0.134 0.000 1.077 111 R CA -0.197 55.822 56.100 -0.135 0.000 1.065 111 R CB 0.405 30.352 30.300 -0.588 0.000 1.003 111 R HN 0.725 nan 8.270 nan 0.000 0.470 112 I N -0.414 120.076 120.570 -0.133 0.000 3.006 112 I HA 0.421 4.591 4.170 -0.001 0.000 0.306 112 I C -0.486 175.551 176.117 -0.133 0.000 1.250 112 I CA -1.193 60.048 61.300 -0.098 0.000 0.996 112 I CB 2.276 40.257 38.000 -0.032 0.000 1.261 112 I HN 0.705 nan 8.210 nan 0.000 0.442 113 S N 1.485 117.137 115.700 -0.079 0.000 2.614 113 S HA 0.242 4.711 4.470 -0.001 0.000 0.265 113 S C 0.294 174.879 174.600 -0.026 0.000 1.303 113 S CA -0.316 57.861 58.200 -0.038 0.000 1.000 113 S CB 0.730 63.943 63.200 0.022 0.000 0.935 113 S HN 0.874 nan 8.310 nan 0.000 0.551 114 W N 0.638 121.929 121.300 -0.016 0.000 2.358 114 W HA -0.052 4.607 4.660 -0.001 0.000 0.303 114 W C 2.240 178.722 176.519 -0.062 0.000 1.208 114 W CA 1.461 58.781 57.345 -0.042 0.000 1.274 114 W CB -0.375 29.053 29.460 -0.054 0.000 1.138 114 W HN 0.909 nan 8.180 nan 0.000 0.515 115 D N 0.023 120.543 120.400 0.201 0.000 2.123 115 D HA -0.246 4.393 4.640 -0.001 0.000 0.196 115 D C 1.918 178.263 176.300 0.075 0.000 0.992 115 D CA 1.740 55.802 54.000 0.104 0.000 0.833 115 D CB -0.187 40.660 40.800 0.078 0.000 0.954 115 D HN 0.185 nan 8.370 nan 0.000 0.455 116 E N -0.817 119.420 120.200 0.062 0.000 2.107 116 E HA -0.092 4.257 4.350 -0.001 0.000 0.191 116 E C 1.988 178.628 176.600 0.065 0.000 0.982 116 E CA 0.672 57.103 56.400 0.053 0.000 0.809 116 E CB -0.085 29.636 29.700 0.035 0.000 0.756 116 E HN 0.310 nan 8.360 nan 0.000 0.459 117 A N 0.754 123.601 122.820 0.046 0.000 1.858 117 A HA -0.213 4.106 4.320 -0.001 0.000 0.216 117 A C 2.442 180.100 177.584 0.122 0.000 1.190 117 A CA 2.504 54.572 52.037 0.050 0.000 0.617 117 A CB -1.243 17.709 19.000 -0.080 0.000 0.827 117 A HN 0.487 nan 8.150 nan 0.000 0.443 118 T N -2.448 112.161 114.554 0.091 0.000 2.821 118 T HA -0.125 4.224 4.350 -0.001 0.000 0.267 118 T C 1.396 176.197 174.700 0.168 0.000 1.046 118 T CA 1.536 63.670 62.100 0.057 0.000 1.139 118 T CB -0.485 68.203 68.868 -0.300 0.000 0.871 118 T HN 0.316 nan 8.240 nan 0.000 0.454 119 D N 1.263 121.729 120.400 0.110 0.000 2.144 119 D HA 0.038 4.677 4.640 -0.001 0.000 0.199 119 D C 1.990 178.358 176.300 0.113 0.000 0.984 119 D CA 0.678 54.742 54.000 0.107 0.000 0.834 119 D CB -0.334 40.511 40.800 0.074 0.000 0.955 119 D HN 0.438 nan 8.370 nan 0.000 0.465 120 I N -0.077 120.564 120.570 0.118 0.000 2.202 120 I HA -0.215 3.954 4.170 -0.001 0.000 0.242 120 I C 2.287 178.441 176.117 0.062 0.000 1.091 120 I CA 0.554 61.908 61.300 0.090 0.000 1.368 120 I CB -0.131 37.957 38.000 0.147 0.000 1.058 120 I HN -0.085 nan 8.210 nan 0.000 0.410 121 V N 0.462 120.506 119.914 0.217 0.000 2.343 121 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 121 V C 2.448 178.657 176.094 0.191 0.000 1.051 121 V CA 1.505 63.969 62.300 0.274 0.000 1.036 121 V CB -0.425 31.584 31.823 0.310 0.000 0.654 121 V HN 0.234 nan 8.190 nan 0.000 0.451 122 V N 0.287 120.358 119.914 0.262 0.000 2.343 122 V HA -0.266 3.853 4.120 -0.001 0.000 0.247 122 V C 2.706 178.871 176.094 0.118 0.000 1.051 122 V CA 2.000 64.436 62.300 0.227 0.000 1.036 122 V CB -1.105 30.872 31.823 0.256 0.000 0.654 122 V HN 0.567 nan 8.190 nan 0.000 0.451 123 A N -0.507 122.355 122.820 0.070 0.000 1.902 123 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 123 A C 2.213 179.796 177.584 -0.002 0.000 1.181 123 A CA 1.711 53.764 52.037 0.026 0.000 0.623 123 A CB -0.412 18.589 19.000 0.001 0.000 0.818 123 A HN 0.522 nan 8.150 nan 0.000 0.443 124 E N -0.040 120.116 120.200 -0.072 0.000 2.077 124 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 124 E C 2.015 178.658 176.600 0.071 0.000 0.989 124 E CA 1.106 57.450 56.400 -0.092 0.000 0.800 124 E CB -0.443 29.004 29.700 -0.423 0.000 0.746 124 E HN 0.733 nan 8.360 nan 0.000 0.452 125 I N 1.811 122.449 120.570 0.113 0.000 2.163 125 I HA -0.302 3.867 4.170 -0.001 0.000 0.243 125 I C 1.943 178.115 176.117 0.093 0.000 1.085 125 I CA 1.085 62.477 61.300 0.152 0.000 1.347 125 I CB -0.330 37.773 38.000 0.172 0.000 1.044 125 I HN 0.036 nan 8.210 nan 0.000 0.408 126 N N 0.522 119.251 118.700 0.048 0.000 2.188 126 N HA -0.173 4.566 4.740 -0.001 0.000 0.184 126 N C 1.835 177.335 175.510 -0.017 0.000 1.018 126 N CA 0.981 54.010 53.050 -0.036 0.000 0.858 126 N CB -0.457 38.010 38.487 -0.034 0.000 0.989 126 N HN 0.337 nan 8.380 nan 0.000 0.426 127 R N 1.049 121.577 120.500 0.046 0.000 2.070 127 R HA 0.011 4.350 4.340 -0.001 0.000 0.233 127 R C 2.095 178.456 176.300 0.101 0.000 1.137 127 R CA 1.130 57.274 56.100 0.074 0.000 0.945 127 R CB -0.330 30.012 30.300 0.070 0.000 0.845 127 R HN 0.137 nan 8.270 nan 0.000 0.430 128 I N 0.900 121.564 120.570 0.157 0.000 2.286 128 I HA -0.263 3.906 4.170 -0.001 0.000 0.248 128 I C 2.234 178.482 176.117 0.219 0.000 1.115 128 I CA 1.430 62.888 61.300 0.264 0.000 1.392 128 I CB -0.187 37.998 38.000 0.309 0.000 1.065 128 I HN 0.229 nan 8.210 nan 0.000 0.418 129 K N -0.294 120.187 120.400 0.134 0.000 2.097 129 K HA -0.140 4.179 4.320 -0.001 0.000 0.205 129 K C 1.904 178.582 176.600 0.130 0.000 1.050 129 K CA 1.241 57.592 56.287 0.106 0.000 0.938 129 K CB -0.203 32.307 32.500 0.016 0.000 0.718 129 K HN 0.484 nan 8.250 nan 0.000 0.442 130 H N -1.101 117.992 119.070 0.038 0.000 2.535 130 H HA 0.090 4.646 4.556 -0.001 0.000 0.273 130 H C 1.685 176.967 175.328 -0.077 0.000 0.983 130 H CA 0.312 56.357 56.048 -0.005 0.000 1.238 130 H CB 0.478 30.238 29.762 -0.003 0.000 1.412 130 H HN 0.230 nan 8.280 nan 0.000 0.562 131 A N -0.180 122.615 122.820 -0.042 0.000 1.963 131 A HA 0.020 4.339 4.320 -0.001 0.000 0.207 131 A C 1.018 178.291 177.584 -0.519 0.000 1.243 131 A CA 0.450 52.255 52.037 -0.386 0.000 0.728 131 A CB 0.052 18.647 19.000 -0.675 0.000 0.895 131 A HN 0.287 nan 8.150 nan 0.000 0.467 132 Y N -1.069 119.303 120.300 0.120 0.000 2.467 132 Y HA 0.460 5.009 4.550 -0.001 0.000 0.259 132 Y C 1.241 177.217 175.900 0.127 0.000 1.084 132 Y CA -0.122 58.047 58.100 0.115 0.000 1.275 132 Y CB 0.342 38.876 38.460 0.123 0.000 1.208 132 Y HN 0.527 nan 8.280 nan 0.000 0.511 133 G N 0.960 109.911 108.800 0.251 0.000 2.619 133 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.686 133 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.686 133 G C -2.164 172.869 174.900 0.222 0.000 1.256 133 G CA -0.532 44.695 45.100 0.213 0.000 0.826 133 G HN -0.082 nan 8.290 nan 0.000 0.619 134 P HA -0.127 nan 4.420 nan 0.000 0.219 134 P C 1.910 179.325 177.300 0.191 0.000 1.146 134 P CA 2.143 65.349 63.100 0.178 0.000 0.808 134 P CB -0.150 31.634 31.700 0.140 0.000 0.779 135 S N -0.118 115.705 115.700 0.206 0.000 2.474 135 S HA 0.020 4.490 4.470 -0.001 0.000 0.235 135 S C 2.065 176.773 174.600 0.181 0.000 0.997 135 S CA 0.793 59.089 58.200 0.161 0.000 0.949 135 S CB -1.110 62.234 63.200 0.239 0.000 0.766 135 S HN 0.151 nan 8.310 nan 0.000 0.517 136 A N 0.856 123.807 122.820 0.219 0.000 2.206 136 A HA 0.413 4.732 4.320 -0.001 0.000 0.211 136 A C 0.858 178.564 177.584 0.202 0.000 1.158 136 A CA 0.080 52.236 52.037 0.198 0.000 0.761 136 A CB -0.460 18.681 19.000 0.236 0.000 0.801 136 A HN 0.613 nan 8.150 nan 0.000 0.473 137 I N 1.286 121.996 120.570 0.232 0.000 2.307 137 I HA 0.225 4.394 4.170 -0.001 0.000 0.287 137 I C -0.439 175.853 176.117 0.291 0.000 1.054 137 I CA -0.596 60.876 61.300 0.286 0.000 1.218 137 I CB 1.138 39.334 38.000 0.327 0.000 1.398 137 I HN 0.165 nan 8.210 nan 0.000 0.475 138 L N 6.455 127.816 121.223 0.229 0.000 2.375 138 L HA 0.578 4.917 4.340 -0.001 0.000 0.271 138 L C -0.027 177.086 176.870 0.405 0.000 1.107 138 L CA 0.684 55.605 54.840 0.135 0.000 0.806 138 L CB 1.478 43.370 42.059 -0.278 0.000 1.146 138 L HN 0.589 nan 8.230 nan 0.000 0.447 139 S N 2.318 118.312 115.700 0.489 0.000 2.543 139 S HA 0.721 5.190 4.470 -0.001 0.000 0.274 139 S C -1.136 173.887 174.600 0.706 0.000 1.149 139 S CA -0.254 58.362 58.200 0.694 0.000 0.866 139 S CB 1.262 64.781 63.200 0.532 0.000 1.111 139 S HN 0.996 nan 8.310 nan 0.000 0.457 140 T N 4.292 119.244 114.554 0.663 0.000 3.225 140 T HA 0.579 4.928 4.350 -0.001 0.000 0.356 140 T C -2.894 171.971 174.700 0.275 0.000 1.460 140 T CA -0.791 61.589 62.100 0.467 0.000 1.126 140 T CB 1.743 70.799 68.868 0.313 0.000 1.321 140 T HN 0.448 nan 8.240 nan 0.000 0.478 141 P HA 0.648 nan 4.420 nan 0.000 0.318 141 P C -0.365 176.984 177.300 0.081 0.000 1.387 141 P CA -0.159 62.902 63.100 -0.066 0.000 0.865 141 P CB 0.912 32.220 31.700 -0.653 0.000 2.164 142 S N -3.007 112.701 115.700 0.014 0.000 2.727 142 S HA 0.329 4.798 4.470 -0.001 0.000 0.278 142 S C 1.279 175.753 174.600 -0.210 0.000 1.186 142 S CA -0.250 57.851 58.200 -0.166 0.000 0.836 142 S CB 0.395 63.543 63.200 -0.086 0.000 1.186 142 S HN 0.221 nan 8.310 nan 0.000 0.499 143 S N 1.060 116.564 115.700 -0.326 0.000 2.365 143 S HA -0.064 4.405 4.470 -0.001 0.000 0.225 143 S C 0.519 174.867 174.600 -0.420 0.000 1.039 143 S CA 1.352 59.401 58.200 -0.252 0.000 1.033 143 S CB -0.438 62.638 63.200 -0.206 0.000 0.887 143 S HN 0.623 nan 8.310 nan 0.000 0.447 144 H N -0.679 118.484 119.070 0.155 0.000 2.651 144 H HA 0.555 5.110 4.556 -0.001 0.000 0.353 144 H C -0.242 175.186 175.328 0.167 0.000 1.178 144 H CA -0.378 55.823 56.048 0.255 0.000 1.224 144 H CB 1.286 31.258 29.762 0.349 0.000 1.702 144 H HN 0.249 nan 8.280 nan 0.000 0.550 145 H N 0.810 119.934 119.070 0.090 0.000 3.017 145 H HA 0.139 4.694 4.556 -0.001 0.000 0.346 145 H C -0.468 174.910 175.328 0.084 0.000 1.286 145 H CA -0.735 55.234 56.048 -0.133 0.000 1.120 145 H CB 1.909 31.149 29.762 -0.871 0.000 1.860 145 H HN 0.371 nan 8.280 nan 0.000 0.542 146 M N 1.683 121.237 119.600 -0.077 0.000 2.250 146 M HA -0.120 4.359 4.480 -0.001 0.000 0.337 146 M C 0.663 177.198 176.300 0.391 0.000 1.161 146 M CA 0.504 55.906 55.300 0.170 0.000 1.088 146 M CB -0.267 32.369 32.600 0.060 0.000 1.639 146 M HN 0.420 nan 8.290 nan 0.000 0.447 147 W N 2.404 123.798 121.300 0.156 0.000 2.170 147 W HA 0.351 5.010 4.660 -0.001 0.000 0.342 147 W C 0.235 176.862 176.519 0.179 0.000 1.294 147 W CA 0.762 58.211 57.345 0.174 0.000 1.246 147 W CB 0.980 30.465 29.460 0.042 0.000 1.156 147 W HN 0.765 nan 8.180 nan 0.000 0.572 148 G N 3.708 112.393 108.800 -0.193 0.000 2.677 148 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.321 148 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.321 148 G C -0.083 174.743 174.900 -0.124 0.000 1.449 148 G CA -0.690 44.351 45.100 -0.099 0.000 1.064 148 G HN 0.498 nan 8.290 nan 0.000 0.627 149 N N 0.568 119.116 118.700 -0.254 0.000 2.084 149 N HA -0.100 4.639 4.740 -0.001 0.000 0.190 149 N C 2.601 178.013 175.510 -0.164 0.000 1.030 149 N CA 1.547 54.441 53.050 -0.259 0.000 0.849 149 N CB -0.111 38.135 38.487 -0.402 0.000 1.012 149 N HN 0.443 nan 8.380 nan 0.000 0.423 150 V N 0.346 120.120 119.914 -0.232 0.000 2.343 150 V HA -0.117 4.003 4.120 -0.001 0.000 0.247 150 V C 2.081 178.189 176.094 0.023 0.000 1.051 150 V CA 2.020 64.253 62.300 -0.111 0.000 1.036 150 V CB -1.014 30.751 31.823 -0.096 0.000 0.654 150 V HN 0.417 nan 8.190 nan 0.000 0.451 151 G N -2.649 106.200 108.800 0.081 0.000 2.985 151 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.209 151 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.209 151 G C 0.383 175.364 174.900 0.135 0.000 1.165 151 G CA -0.233 44.974 45.100 0.179 0.000 0.776 151 G HN 0.438 nan 8.290 nan 0.000 0.541 152 Y N 1.637 121.866 120.300 -0.118 0.000 2.457 152 Y HA 0.105 4.655 4.550 -0.001 0.000 0.341 152 Y C 2.378 178.013 175.900 -0.442 0.000 1.240 152 Y CA -0.202 57.649 58.100 -0.416 0.000 1.437 152 Y CB 0.812 39.106 38.460 -0.277 0.000 1.328 152 Y HN 0.216 nan 8.280 nan 0.000 0.588 153 R N 0.858 120.825 120.500 -0.889 0.000 2.117 153 R HA -0.241 4.098 4.340 -0.001 0.000 0.243 153 R C 1.023 177.015 176.300 -0.514 0.000 1.143 153 R CA 2.339 58.013 56.100 -0.710 0.000 0.968 153 R CB -0.846 28.867 30.300 -0.978 0.000 0.863 153 R HN 0.770 nan 8.270 nan 0.000 0.444 154 H N 0.095 119.063 119.070 -0.171 0.000 2.521 154 H HA 0.050 4.606 4.556 -0.001 0.000 0.286 154 H C 1.993 177.420 175.328 0.166 0.000 1.034 154 H CA 1.379 57.435 56.048 0.013 0.000 1.278 154 H CB 0.266 30.178 29.762 0.250 0.000 1.386 154 H HN 0.326 nan 8.280 nan 0.000 0.567 155 S N -1.332 114.492 115.700 0.207 0.000 2.583 155 S HA -0.031 4.438 4.470 -0.001 0.000 0.203 155 S C 2.095 176.781 174.600 0.143 0.000 0.952 155 S CA 0.756 59.064 58.200 0.181 0.000 0.887 155 S CB -0.324 62.965 63.200 0.149 0.000 0.857 155 S HN 0.322 nan 8.310 nan 0.000 0.611 156 T N 1.135 115.784 114.554 0.159 0.000 2.701 156 T HA -0.027 4.322 4.350 -0.001 0.000 0.263 156 T C 1.554 176.402 174.700 0.246 0.000 1.040 156 T CA 1.689 63.965 62.100 0.294 0.000 1.147 156 T CB -0.717 68.414 68.868 0.439 0.000 0.865 156 T HN 0.505 nan 8.240 nan 0.000 0.426 157 Y N 1.146 121.436 120.300 -0.017 0.000 2.053 157 Y HA -0.230 4.319 4.550 -0.001 0.000 0.277 157 Y C 2.000 177.718 175.900 -0.303 0.000 1.159 157 Y CA 1.415 59.348 58.100 -0.278 0.000 1.125 157 Y CB -0.774 37.305 38.460 -0.635 0.000 0.969 157 Y HN 0.273 nan 8.280 nan 0.000 0.492 158 F N -0.121 119.706 119.950 -0.205 0.000 2.134 158 F HA -0.248 4.279 4.527 -0.001 0.000 0.299 158 F C 2.832 178.472 175.800 -0.266 0.000 1.097 158 F CA 1.151 58.966 58.000 -0.309 0.000 1.264 158 F CB -0.354 38.576 39.000 -0.117 0.000 1.001 158 F HN 0.010 nan 8.300 nan 0.000 0.479 159 R N 0.112 120.674 120.500 0.104 0.000 2.091 159 R HA -0.244 4.095 4.340 -0.001 0.000 0.238 159 R C 2.217 178.585 176.300 0.115 0.000 1.136 159 R CA 1.925 58.096 56.100 0.117 0.000 0.959 159 R CB -0.556 29.841 30.300 0.162 0.000 0.856 159 R HN 0.318 nan 8.270 nan 0.000 0.437 160 F N 0.572 120.429 119.950 -0.155 0.000 2.118 160 F HA -0.117 4.409 4.527 -0.001 0.000 0.293 160 F C 2.115 177.512 175.800 -0.672 0.000 1.102 160 F CA 1.196 58.872 58.000 -0.540 0.000 1.247 160 F CB -0.163 38.078 39.000 -1.264 0.000 1.017 160 F HN -0.074 nan 8.300 nan 0.000 0.475 161 M N 0.770 119.752 119.600 -1.030 0.000 2.149 161 M HA -0.252 4.227 4.480 -0.001 0.000 0.261 161 M C 1.773 177.587 176.300 -0.811 0.000 1.064 161 M CA 1.626 56.157 55.300 -1.282 0.000 1.102 161 M CB -1.890 29.559 32.600 -1.919 0.000 1.369 161 M HN 0.354 nan 8.290 nan 0.000 0.408 162 N N -0.267 118.165 118.700 -0.447 0.000 2.364 162 N HA -0.093 4.646 4.740 -0.001 0.000 0.183 162 N C 1.488 176.893 175.510 -0.174 0.000 1.022 162 N CA 0.849 53.815 53.050 -0.140 0.000 0.883 162 N CB -0.055 38.363 38.487 -0.115 0.000 0.965 162 N HN 0.403 nan 8.380 nan 0.000 0.438 163 M N -0.555 118.855 119.600 -0.316 0.000 2.502 163 M HA 0.117 4.597 4.480 -0.001 0.000 0.243 163 M C 1.722 177.817 176.300 -0.343 0.000 1.130 163 M CA 0.343 55.484 55.300 -0.265 0.000 1.055 163 M CB 0.371 32.838 32.600 -0.222 0.000 1.457 163 M HN 0.226 nan 8.290 nan 0.000 0.488 164 M N -0.406 118.893 119.600 -0.502 0.000 2.962 164 M HA 0.246 4.725 4.480 -0.001 0.000 0.242 164 M C 1.138 177.357 176.300 -0.136 0.000 1.396 164 M CA 1.262 56.315 55.300 -0.412 0.000 1.287 164 M CB -0.141 32.009 32.600 -0.750 0.000 1.168 164 M HN 0.159 nan 8.290 nan 0.000 0.557 165 G N -0.292 108.478 108.800 -0.050 0.000 3.310 165 G HA2 0.562 4.522 3.960 -0.001 0.000 0.176 165 G HA3 0.562 4.522 3.960 -0.001 0.000 0.176 165 G C -0.800 174.274 174.900 0.289 0.000 1.307 165 G CA -0.062 45.154 45.100 0.193 0.000 0.935 165 G HN 0.541 nan 8.290 nan 0.000 0.628 166 F N -3.158 116.758 119.950 -0.055 0.000 2.878 166 F HA 0.598 5.124 4.527 -0.001 0.000 0.322 166 F C -1.224 174.588 175.800 0.019 0.000 1.154 166 F CA -1.159 56.840 58.000 -0.000 0.000 0.896 166 F CB 1.279 40.264 39.000 -0.025 0.000 1.313 166 F HN 0.372 nan 8.300 nan 0.000 0.451 167 T N 2.016 116.535 114.554 -0.057 0.000 2.743 167 T HA 0.286 4.635 4.350 -0.001 0.000 0.292 167 T C -1.489 173.170 174.700 -0.067 0.000 0.972 167 T CA -0.196 61.798 62.100 -0.177 0.000 0.967 167 T CB 0.189 69.034 68.868 -0.038 0.000 0.926 167 T HN 0.537 nan 8.240 nan 0.000 0.459 168 Y N 2.959 123.014 120.300 -0.407 0.000 2.304 168 Y HA 0.516 5.065 4.550 -0.001 0.000 0.328 168 Y C 0.118 176.011 175.900 -0.012 0.000 1.123 168 Y CA -1.889 56.159 58.100 -0.086 0.000 1.218 168 Y CB 0.700 39.065 38.460 -0.158 0.000 1.207 168 Y HN 0.663 nan 8.280 nan 0.000 0.495 169 A N 5.917 128.524 122.820 -0.355 0.000 2.923 169 A HA 0.183 4.502 4.320 -0.001 0.000 0.306 169 A C -0.260 176.901 177.584 -0.705 0.000 1.542 169 A CA -0.620 51.188 52.037 -0.382 0.000 1.225 169 A CB -0.788 18.076 19.000 -0.228 0.000 1.147 169 A HN 0.754 nan 8.150 nan 0.000 0.542 170 D N 1.696 121.774 120.400 -0.537 0.000 2.488 170 D HA -0.005 4.634 4.640 -0.001 0.000 0.238 170 D C 0.017 176.179 176.300 -0.230 0.000 1.138 170 D CA 0.678 54.385 54.000 -0.488 0.000 0.873 170 D CB 0.394 41.102 40.800 -0.154 0.000 1.183 170 D HN 0.537 nan 8.370 nan 0.000 0.458 171 H N 2.591 121.558 119.070 -0.173 0.000 2.683 171 H HA 0.093 4.648 4.556 -0.001 0.000 0.339 171 H C 0.634 176.088 175.328 0.209 0.000 1.081 171 H CA -0.425 55.615 56.048 -0.013 0.000 1.432 171 H CB 0.302 30.078 29.762 0.024 0.000 1.462 171 H HN 0.406 nan 8.280 nan 0.000 0.557 172 N N 4.053 122.968 118.700 0.359 0.000 2.482 172 N HA 0.026 4.765 4.740 -0.001 0.000 0.260 172 N C -2.469 173.330 175.510 0.481 0.000 1.236 172 N CA -1.525 51.756 53.050 0.385 0.000 0.938 172 N CB 0.789 39.459 38.487 0.305 0.000 1.128 172 N HN 0.308 nan 8.380 nan 0.000 0.448 173 P HA 0.023 nan 4.420 nan 0.000 0.232 173 P C -0.090 177.373 177.300 0.272 0.000 1.738 173 P CA -0.191 62.844 63.100 -0.109 0.000 0.948 173 P CB -0.306 30.925 31.700 -0.781 0.000 1.943 174 D N 0.237 120.818 120.400 0.302 0.000 2.204 174 D HA -0.255 4.384 4.640 -0.001 0.000 0.189 174 D C 1.507 177.856 176.300 0.081 0.000 1.006 174 D CA 1.813 55.923 54.000 0.183 0.000 0.855 174 D CB -1.428 39.433 40.800 0.101 0.000 0.946 174 D HN 0.125 nan 8.370 nan 0.000 0.448 175 S N -1.018 114.616 115.700 -0.109 0.000 2.400 175 S HA -0.118 4.352 4.470 -0.001 0.000 0.232 175 S C 1.425 175.701 174.600 -0.539 0.000 1.025 175 S CA 1.204 58.926 58.200 -0.797 0.000 0.993 175 S CB -0.388 61.742 63.200 -1.784 0.000 0.808 175 S HN 0.483 nan 8.310 nan 0.000 0.478 176 W N 1.089 122.437 121.300 0.079 0.000 3.103 176 W HA 0.228 4.887 4.660 -0.001 0.000 0.325 176 W C 1.238 177.976 176.519 0.364 0.000 1.170 176 W CA -0.525 57.021 57.345 0.335 0.000 1.712 176 W CB -0.245 29.341 29.460 0.211 0.000 1.068 176 W HN 0.216 nan 8.180 nan 0.000 0.592 177 E N 0.945 121.447 120.200 0.504 0.000 2.504 177 E HA -0.308 4.041 4.350 -0.001 0.000 0.252 177 E C 2.160 179.086 176.600 0.543 0.000 1.018 177 E CA 2.465 59.192 56.400 0.545 0.000 1.151 177 E CB -1.420 28.511 29.700 0.386 0.000 1.081 177 E HN 0.320 nan 8.360 nan 0.000 0.509 178 G N -0.094 108.909 108.800 0.338 0.000 2.476 178 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.218 178 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.218 178 G C 1.451 176.370 174.900 0.033 0.000 1.164 178 G CA 1.225 46.393 45.100 0.113 0.000 0.768 178 G HN 0.335 nan 8.290 nan 0.000 0.560 179 W N -0.432 120.994 121.300 0.209 0.000 2.418 179 W HA 0.080 4.739 4.660 -0.001 0.000 0.292 179 W C 2.437 179.014 176.519 0.097 0.000 1.213 179 W CA 0.819 58.239 57.345 0.124 0.000 1.283 179 W CB -0.500 29.083 29.460 0.206 0.000 1.119 179 W HN 0.263 nan 8.180 nan 0.000 0.542 180 H N -1.019 118.196 119.070 0.242 0.000 2.276 180 H HA -0.166 4.389 4.556 -0.001 0.000 0.301 180 H C 1.332 176.531 175.328 -0.215 0.000 1.073 180 H CA 2.208 58.184 56.048 -0.121 0.000 1.311 180 H CB -0.874 28.694 29.762 -0.324 0.000 1.379 180 H HN 0.197 nan 8.280 nan 0.000 0.494 181 W N 0.444 121.925 121.300 0.302 0.000 2.905 181 W HA 0.191 4.850 4.660 -0.001 0.000 0.251 181 W C 2.247 178.897 176.519 0.218 0.000 1.305 181 W CA 0.540 58.032 57.345 0.244 0.000 1.465 181 W CB 0.066 29.699 29.460 0.289 0.000 1.122 181 W HN 0.299 nan 8.180 nan 0.000 0.659 182 G N -0.653 108.319 108.800 0.286 0.000 2.621 182 G HA2 0.138 4.098 3.960 -0.001 0.000 0.209 182 G HA3 0.138 4.098 3.960 -0.001 0.000 0.209 182 G C 1.637 176.547 174.900 0.016 0.000 1.379 182 G CA 0.335 45.542 45.100 0.180 0.000 0.766 182 G HN 0.157 nan 8.290 nan 0.000 0.599 183 G N 1.056 109.778 108.800 -0.129 0.000 2.503 183 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.221 183 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.221 183 G C 1.797 176.677 174.900 -0.035 0.000 1.131 183 G CA 1.388 46.350 45.100 -0.230 0.000 0.756 183 G HN 0.356 nan 8.290 nan 0.000 0.572 184 M N -0.085 119.503 119.600 -0.019 0.000 2.144 184 M HA -0.157 4.322 4.480 -0.001 0.000 0.260 184 M C 2.304 178.503 176.300 -0.168 0.000 1.067 184 M CA 1.534 56.767 55.300 -0.112 0.000 1.095 184 M CB -0.273 32.065 32.600 -0.437 0.000 1.365 184 M HN 0.338 nan 8.290 nan 0.000 0.406 185 H N -1.153 117.909 119.070 -0.013 0.000 2.495 185 H HA -0.088 4.467 4.556 -0.001 0.000 0.287 185 H C 1.882 177.206 175.328 -0.006 0.000 1.033 185 H CA 1.617 57.656 56.048 -0.015 0.000 1.307 185 H CB -0.324 29.430 29.762 -0.014 0.000 1.401 185 H HN 0.551 nan 8.280 nan 0.000 0.555 186 M N -0.060 119.566 119.600 0.043 0.000 2.466 186 M HA -0.038 4.441 4.480 -0.001 0.000 0.265 186 M C 0.892 177.226 176.300 0.057 0.000 1.122 186 M CA 0.977 56.241 55.300 -0.059 0.000 1.157 186 M CB 0.474 32.885 32.600 -0.314 0.000 1.352 186 M HN 0.283 nan 8.290 nan 0.000 0.464 187 W N -0.387 120.852 121.300 -0.102 0.000 2.079 187 W HA 0.610 5.269 4.660 -0.001 0.000 0.285 187 W C 0.278 176.743 176.519 -0.090 0.000 0.891 187 W CA -0.188 57.103 57.345 -0.090 0.000 1.308 187 W CB -1.135 28.291 29.460 -0.056 0.000 1.047 187 W HN 0.425 nan 8.180 nan 0.000 0.522 188 G N 2.068 110.980 108.800 0.186 0.000 2.527 188 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.262 188 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.262 188 G C 0.315 175.052 174.900 -0.272 0.000 1.153 188 G CA 0.690 45.727 45.100 -0.104 0.000 0.954 188 G HN 0.568 nan 8.290 nan 0.000 0.552 189 F N 0.694 120.125 119.950 -0.865 0.000 3.091 189 F HA -0.223 4.304 4.527 -0.001 0.000 0.288 189 F C 2.238 177.307 175.800 -1.220 0.000 0.907 189 F CA 1.715 58.748 58.000 -1.611 0.000 1.028 189 F CB -1.803 36.477 39.000 -1.200 0.000 1.022 189 F HN 1.325 nan 8.300 nan 0.000 0.665 190 S N -0.212 115.092 115.700 -0.660 0.000 2.382 190 S HA -0.246 4.223 4.470 -0.001 0.000 0.228 190 S C 1.621 176.104 174.600 -0.196 0.000 1.027 190 S CA 1.307 59.309 58.200 -0.330 0.000 0.991 190 S CB -0.840 62.270 63.200 -0.150 0.000 0.823 190 S HN 0.712 nan 8.310 nan 0.000 0.469 191 W N 1.314 122.648 121.300 0.056 0.000 2.632 191 W HA 0.285 4.944 4.660 -0.001 0.000 0.248 191 W C 1.692 178.331 176.519 0.199 0.000 1.259 191 W CA 0.097 57.554 57.345 0.187 0.000 1.288 191 W CB -0.289 29.266 29.460 0.159 0.000 1.136 191 W HN 0.123 nan 8.180 nan 0.000 0.640 192 R N 0.627 120.869 120.500 -0.430 0.000 2.565 192 R HA 0.262 4.602 4.340 -0.001 0.000 0.347 192 R C 0.559 176.631 176.300 -0.380 0.000 1.010 192 R CA -0.243 55.677 56.100 -0.300 0.000 1.126 192 R CB -0.100 29.953 30.300 -0.412 0.000 1.331 192 R HN 0.168 nan 8.270 nan 0.000 0.552 193 L N 0.332 121.248 121.223 -0.511 0.000 3.737 193 L HA -0.326 4.013 4.340 -0.001 0.000 0.418 193 L C 0.811 177.550 176.870 -0.218 0.000 1.216 193 L CA 0.835 55.314 54.840 -0.603 0.000 0.915 193 L CB -1.815 39.447 42.059 -1.329 0.000 1.834 193 L HN 0.668 nan 8.230 nan 0.000 0.943 194 G N -2.390 106.329 108.800 -0.136 0.000 2.254 194 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.225 194 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.225 194 G C 0.274 175.300 174.900 0.210 0.000 1.003 194 G CA 0.170 45.389 45.100 0.199 0.000 0.622 194 G HN 0.378 nan 8.290 nan 0.000 0.507 195 N N 2.441 121.049 118.700 -0.154 0.000 2.513 195 N HA 0.507 5.246 4.740 -0.001 0.000 0.274 195 N C -2.335 172.612 175.510 -0.939 0.000 1.189 195 N CA -1.021 51.712 53.050 -0.528 0.000 0.975 195 N CB 1.374 39.537 38.487 -0.541 0.000 1.157 195 N HN 0.282 nan 8.380 nan 0.000 0.465 196 P HA 0.162 nan 4.420 nan 0.000 0.282 196 P C -0.498 176.334 177.300 -0.779 0.000 1.259 196 P CA -0.440 61.761 63.100 -1.499 0.000 0.826 196 P CB 1.103 32.249 31.700 -0.923 0.000 1.064 197 E N 1.375 121.300 120.200 -0.458 0.000 2.392 197 E HA 0.067 4.416 4.350 -0.001 0.000 0.256 197 E C 0.164 176.646 176.600 -0.196 0.000 1.145 197 E CA -0.460 55.868 56.400 -0.119 0.000 0.929 197 E CB 0.232 30.151 29.700 0.364 0.000 0.998 197 E HN 0.308 nan 8.360 nan 0.000 0.442 198 Q N 0.401 120.000 119.800 -0.335 0.000 2.113 198 Q HA 0.078 4.417 4.340 -0.001 0.000 0.225 198 Q C -0.833 175.036 176.000 -0.218 0.000 0.786 198 Q CA -0.280 55.383 55.803 -0.235 0.000 0.989 198 Q CB 0.251 28.854 28.738 -0.225 0.000 1.174 198 Q HN 0.548 nan 8.270 nan 0.000 0.470 199 Y N 2.532 122.748 120.300 -0.140 0.000 2.987 199 Y HA -0.196 4.353 4.550 -0.001 0.000 0.339 199 Y C 0.979 176.874 175.900 -0.009 0.000 1.272 199 Y CA 0.750 58.757 58.100 -0.155 0.000 1.562 199 Y CB 0.101 38.421 38.460 -0.234 0.000 1.253 199 Y HN 0.162 nan 8.280 nan 0.000 0.604 200 D N 1.594 122.153 120.400 0.265 0.000 2.792 200 D HA -0.261 4.378 4.640 -0.001 0.000 0.231 200 D C 0.791 177.026 176.300 -0.108 0.000 1.160 200 D CA 0.864 54.930 54.000 0.110 0.000 0.697 200 D CB -0.844 40.053 40.800 0.163 0.000 1.070 200 D HN 0.652 nan 8.370 nan 0.000 0.426 201 L N -0.562 120.502 121.223 -0.264 0.000 2.418 201 L HA -0.049 4.290 4.340 -0.001 0.000 0.218 201 L C 2.384 178.628 176.870 -1.043 0.000 1.125 201 L CA 0.069 54.507 54.840 -0.670 0.000 0.835 201 L CB -0.050 41.442 42.059 -0.945 0.000 0.953 201 L HN 0.131 nan 8.230 nan 0.000 0.454 202 L N 0.481 121.350 121.223 -0.591 0.000 1.994 202 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 202 L C 2.426 179.073 176.870 -0.371 0.000 1.071 202 L CA 2.056 56.661 54.840 -0.392 0.000 0.745 202 L CB -0.490 41.503 42.059 -0.109 0.000 0.892 202 L HN 0.298 nan 8.230 nan 0.000 0.431 203 E N -0.913 119.112 120.200 -0.291 0.000 2.077 203 E HA -0.304 4.045 4.350 -0.001 0.000 0.193 203 E C 1.889 178.351 176.600 -0.230 0.000 0.989 203 E CA 1.540 57.816 56.400 -0.206 0.000 0.800 203 E CB -0.251 29.366 29.700 -0.139 0.000 0.746 203 E HN 0.658 nan 8.360 nan 0.000 0.452 204 D N -0.696 119.551 120.400 -0.254 0.000 2.144 204 D HA -0.108 4.531 4.640 -0.001 0.000 0.199 204 D C 1.879 178.074 176.300 -0.176 0.000 0.984 204 D CA 1.691 55.611 54.000 -0.134 0.000 0.834 204 D CB -0.424 40.337 40.800 -0.065 0.000 0.955 204 D HN 0.305 nan 8.370 nan 0.000 0.465 205 G N -0.033 108.440 108.800 -0.545 0.000 2.394 205 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.215 205 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.215 205 G C 1.692 176.511 174.900 -0.136 0.000 1.165 205 G CA 0.366 45.143 45.100 -0.539 0.000 0.784 205 G HN 0.314 nan 8.290 nan 0.000 0.535 206 L N -0.163 120.960 121.223 -0.166 0.000 2.131 206 L HA -0.035 4.305 4.340 -0.001 0.000 0.210 206 L C 2.914 179.727 176.870 -0.095 0.000 1.092 206 L CA 1.156 55.918 54.840 -0.130 0.000 0.759 206 L CB -0.188 41.718 42.059 -0.255 0.000 0.903 206 L HN 0.178 nan 8.230 nan 0.000 0.435 207 K N -1.347 118.937 120.400 -0.194 0.000 2.076 207 K HA -0.040 4.279 4.320 -0.001 0.000 0.204 207 K C 1.771 178.173 176.600 -0.330 0.000 1.051 207 K CA 0.834 56.920 56.287 -0.334 0.000 0.949 207 K CB 0.102 32.221 32.500 -0.635 0.000 0.726 207 K HN 0.390 nan 8.250 nan 0.000 0.443 208 H N -0.937 118.193 119.070 0.100 0.000 2.885 208 H HA 0.274 4.829 4.556 -0.001 0.000 0.260 208 H C 0.287 175.743 175.328 0.213 0.000 0.985 208 H CA -0.081 56.050 56.048 0.139 0.000 1.210 208 H CB 0.176 30.018 29.762 0.133 0.000 1.466 208 H HN 0.033 nan 8.280 nan 0.000 0.493 209 A N 1.720 124.778 122.820 0.398 0.000 2.546 209 A HA 0.042 4.362 4.320 -0.001 0.000 0.243 209 A C 0.783 178.529 177.584 0.270 0.000 1.063 209 A CA 0.336 52.641 52.037 0.446 0.000 0.757 209 A CB 0.324 19.569 19.000 0.409 0.000 0.991 209 A HN 0.467 nan 8.150 nan 0.000 0.503 210 E N 0.919 121.256 120.200 0.228 0.000 2.474 210 E HA 0.256 4.605 4.350 -0.001 0.000 0.215 210 E C 0.008 176.686 176.600 0.131 0.000 0.867 210 E CA 0.224 56.712 56.400 0.148 0.000 1.135 210 E CB 0.601 30.368 29.700 0.111 0.000 1.147 210 E HN 0.805 nan 8.360 nan 0.000 0.534 211 M N 1.026 120.716 119.600 0.151 0.000 2.471 211 M HA 0.407 4.886 4.480 -0.001 0.000 0.284 211 M C -2.227 174.121 176.300 0.079 0.000 1.203 211 M CA -0.403 54.961 55.300 0.107 0.000 0.915 211 M CB 2.224 34.840 32.600 0.027 0.000 1.734 211 M HN -0.132 nan 8.290 nan 0.000 0.485 212 I N 3.880 124.472 120.570 0.036 0.000 2.499 212 I HA 0.446 4.615 4.170 -0.001 0.000 0.288 212 I C -1.059 174.782 176.117 -0.460 0.000 1.048 212 I CA -1.032 60.120 61.300 -0.245 0.000 1.062 212 I CB 2.283 40.026 38.000 -0.428 0.000 1.238 212 I HN 0.391 nan 8.210 nan 0.000 0.426 213 V N 6.654 126.220 119.914 -0.579 0.000 2.318 213 V HA 0.288 4.408 4.120 -0.001 0.000 0.271 213 V C -0.402 175.412 176.094 -0.466 0.000 1.030 213 V CA -0.376 61.617 62.300 -0.512 0.000 0.844 213 V CB 0.405 31.861 31.823 -0.613 0.000 1.015 213 V HN 0.376 nan 8.190 nan 0.000 0.460 214 F N 4.474 124.150 119.950 -0.456 0.000 2.405 214 F HA 0.291 4.817 4.527 -0.001 0.000 0.358 214 F C 0.189 175.963 175.800 -0.044 0.000 1.151 214 F CA -0.145 57.634 58.000 -0.369 0.000 1.161 214 F CB 0.510 38.964 39.000 -0.911 0.000 1.245 214 F HN 0.493 nan 8.300 nan 0.000 0.545 215 W N 4.117 125.521 121.300 0.173 0.000 2.329 215 W HA 0.276 4.936 4.660 -0.001 0.000 0.312 215 W C 0.661 177.399 176.519 0.366 0.000 1.054 215 W CA -1.209 56.333 57.345 0.327 0.000 1.245 215 W CB 1.442 31.189 29.460 0.478 0.000 1.255 215 W HN 0.524 nan 8.180 nan 0.000 0.436 216 S N 3.576 119.606 115.700 0.551 0.000 3.682 216 S HA -0.224 4.245 4.470 -0.001 0.000 0.354 216 S C -0.323 174.446 174.600 0.281 0.000 1.034 216 S CA 1.408 59.774 58.200 0.277 0.000 1.084 216 S CB -1.246 61.904 63.200 -0.084 0.000 0.903 216 S HN 0.562 nan 8.310 nan 0.000 0.470 217 S N 0.806 116.696 115.700 0.317 0.000 2.594 217 S HA 0.586 5.055 4.470 -0.001 0.000 0.296 217 S C -1.352 173.384 174.600 0.227 0.000 1.124 217 S CA -0.417 57.949 58.200 0.276 0.000 1.011 217 S CB 1.714 65.123 63.200 0.348 0.000 1.016 217 S HN 0.415 nan 8.310 nan 0.000 0.485 218 D N 5.218 125.692 120.400 0.123 0.000 2.552 218 D HA 0.389 5.028 4.640 -0.001 0.000 0.285 218 D C -2.034 174.269 176.300 0.005 0.000 1.206 218 D CA -1.941 52.088 54.000 0.049 0.000 0.826 218 D CB 1.409 42.234 40.800 0.043 0.000 1.179 218 D HN 0.223 nan 8.370 nan 0.000 0.508 219 P HA -0.153 nan 4.420 nan 0.000 0.216 219 P C 1.297 178.568 177.300 -0.048 0.000 1.150 219 P CA 0.977 64.047 63.100 -0.050 0.000 0.843 219 P CB 0.564 32.213 31.700 -0.084 0.000 0.787 220 E N -0.830 119.352 120.200 -0.029 0.000 2.017 220 E HA -0.126 4.223 4.350 -0.001 0.000 0.193 220 E C 2.067 178.701 176.600 0.056 0.000 0.997 220 E CA 1.579 58.019 56.400 0.067 0.000 0.804 220 E CB -1.412 28.322 29.700 0.056 0.000 0.757 220 E HN 0.234 nan 8.360 nan 0.000 0.448 221 T N 2.360 116.929 114.554 0.024 0.000 2.652 221 T HA -0.105 4.245 4.350 -0.001 0.000 0.267 221 T C 1.609 176.246 174.700 -0.105 0.000 1.039 221 T CA 1.391 63.471 62.100 -0.033 0.000 1.153 221 T CB -0.162 68.729 68.868 0.038 0.000 0.863 221 T HN 0.139 nan 8.240 nan 0.000 0.428 222 N N 0.715 119.363 118.700 -0.087 0.000 2.368 222 N HA -0.038 4.701 4.740 -0.001 0.000 0.176 222 N C 1.356 176.797 175.510 -0.115 0.000 1.021 222 N CA 1.163 54.148 53.050 -0.108 0.000 0.888 222 N CB -0.001 38.429 38.487 -0.096 0.000 0.995 222 N HN 0.550 nan 8.380 nan 0.000 0.437 223 S N -1.302 114.327 115.700 -0.117 0.000 3.270 223 S HA -0.227 4.242 4.470 -0.001 0.000 0.293 223 S C 1.105 175.649 174.600 -0.093 0.000 1.278 223 S CA 2.043 60.166 58.200 -0.128 0.000 1.038 223 S CB -1.970 61.114 63.200 -0.193 0.000 1.218 223 S HN 0.791 nan 8.310 nan 0.000 0.659 224 G N 1.192 109.957 108.800 -0.060 0.000 5.259 224 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.288 224 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.288 224 G C 0.047 174.971 174.900 0.041 0.000 1.534 224 G CA 0.093 45.167 45.100 -0.042 0.000 1.031 224 G HN 1.982 nan 8.290 nan 0.000 0.724 225 I N -1.870 118.674 120.570 -0.043 0.000 2.661 225 I HA 0.360 4.529 4.170 -0.001 0.000 0.290 225 I C 0.516 176.561 176.117 -0.119 0.000 1.734 225 I CA -0.171 61.021 61.300 -0.180 0.000 1.018 225 I CB 0.480 38.342 38.000 -0.231 0.000 1.532 225 I HN 1.152 nan 8.210 nan 0.000 0.488 226 Y N 3.277 123.614 120.300 0.061 0.000 4.851 226 Y HA -0.319 4.230 4.550 -0.001 0.000 0.235 226 Y C 1.081 177.018 175.900 0.062 0.000 0.998 226 Y CA 0.710 58.802 58.100 -0.013 0.000 1.980 226 Y CB -1.629 36.795 38.460 -0.060 0.000 1.561 226 Y HN 0.669 nan 8.280 nan 0.000 0.585 227 A N 0.354 123.249 122.820 0.125 0.000 2.610 227 A HA 0.587 4.906 4.320 -0.001 0.000 0.286 227 A C 1.674 179.283 177.584 0.042 0.000 1.306 227 A CA 0.838 52.916 52.037 0.068 0.000 0.942 227 A CB -0.747 18.179 19.000 -0.124 0.000 1.112 227 A HN 1.126 nan 8.150 nan 0.000 0.527 228 G N 0.581 109.351 108.800 -0.049 0.000 2.702 228 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.342 228 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.342 228 G C 0.247 174.765 174.900 -0.637 0.000 1.258 228 G CA 1.412 46.316 45.100 -0.327 0.000 0.990 228 G HN 0.771 nan 8.290 nan 0.000 0.548 229 F N 1.468 121.414 119.950 -0.007 0.000 2.790 229 F HA 0.390 4.916 4.527 -0.001 0.000 0.371 229 F C 1.552 177.325 175.800 -0.044 0.000 1.293 229 F CA -0.100 57.870 58.000 -0.050 0.000 1.205 229 F CB 1.092 40.047 39.000 -0.076 0.000 1.047 229 F HN 0.237 nan 8.300 nan 0.000 0.510 230 E N 0.228 120.469 120.200 0.068 0.000 2.160 230 E HA -0.174 4.175 4.350 -0.001 0.000 0.195 230 E C 2.188 178.784 176.600 -0.006 0.000 0.991 230 E CA 1.678 58.099 56.400 0.036 0.000 0.810 230 E CB -0.101 29.579 29.700 -0.035 0.000 0.742 230 E HN 0.431 nan 8.360 nan 0.000 0.466 231 S N 0.702 116.387 115.700 -0.026 0.000 2.558 231 S HA -0.032 4.437 4.470 -0.001 0.000 0.217 231 S C 1.600 176.140 174.600 -0.099 0.000 0.975 231 S CA 0.287 58.449 58.200 -0.064 0.000 0.912 231 S CB -0.147 63.005 63.200 -0.079 0.000 0.776 231 S HN 0.158 nan 8.310 nan 0.000 0.526 232 N N 2.383 121.048 118.700 -0.058 0.000 2.060 232 N HA -0.180 4.559 4.740 -0.001 0.000 0.195 232 N C 1.656 177.060 175.510 -0.177 0.000 1.028 232 N CA 1.870 54.870 53.050 -0.085 0.000 0.861 232 N CB -0.432 38.025 38.487 -0.049 0.000 1.029 232 N HN 0.626 nan 8.380 nan 0.000 0.428 233 I N 0.708 121.109 120.570 -0.281 0.000 2.614 233 I HA -0.166 4.003 4.170 -0.001 0.000 0.258 233 I C 2.192 177.798 176.117 -0.852 0.000 1.189 233 I CA 0.640 61.626 61.300 -0.524 0.000 1.462 233 I CB -0.023 37.618 38.000 -0.598 0.000 1.092 233 I HN 0.161 nan 8.210 nan 0.000 0.442 234 R N 0.218 120.364 120.500 -0.589 0.000 2.075 234 R HA -0.090 4.250 4.340 -0.001 0.000 0.232 234 R C 2.311 178.603 176.300 -0.015 0.000 1.126 234 R CA 1.129 57.045 56.100 -0.308 0.000 0.963 234 R CB -0.290 29.989 30.300 -0.035 0.000 0.858 234 R HN 0.328 nan 8.270 nan 0.000 0.435 235 R N 0.238 120.715 120.500 -0.038 0.000 2.148 235 R HA -0.105 4.234 4.340 -0.001 0.000 0.223 235 R C 2.243 178.688 176.300 0.242 0.000 1.088 235 R CA 0.970 57.142 56.100 0.121 0.000 0.985 235 R CB -0.042 30.246 30.300 -0.019 0.000 0.880 235 R HN 0.107 nan 8.270 nan 0.000 0.451 236 Q N 0.136 119.974 119.800 0.064 0.000 2.084 236 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 236 Q C 1.459 177.605 176.000 0.244 0.000 0.978 236 Q CA 1.587 57.448 55.803 0.096 0.000 0.844 236 Q CB -0.119 28.598 28.738 -0.034 0.000 0.898 236 Q HN 0.282 nan 8.270 nan 0.000 0.426 237 W N 0.437 121.817 121.300 0.133 0.000 2.333 237 W HA -0.133 4.527 4.660 -0.001 0.000 0.316 237 W C 2.028 178.592 176.519 0.075 0.000 1.215 237 W CA 0.821 58.233 57.345 0.111 0.000 1.278 237 W CB -1.152 28.221 29.460 -0.145 0.000 1.154 237 W HN 0.246 nan 8.180 nan 0.000 0.486 238 L N 0.185 121.619 121.223 0.352 0.000 2.012 238 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 238 L C 2.577 179.566 176.870 0.198 0.000 1.073 238 L CA 1.822 56.843 54.840 0.302 0.000 0.748 238 L CB -0.992 41.345 42.059 0.463 0.000 0.891 238 L HN -0.061 nan 8.230 nan 0.000 0.431 239 K N 0.205 120.713 120.400 0.181 0.000 2.009 239 K HA -0.225 4.094 4.320 -0.001 0.000 0.210 239 K C 1.650 178.259 176.600 0.014 0.000 1.049 239 K CA 2.008 58.251 56.287 -0.074 0.000 0.929 239 K CB -0.079 32.429 32.500 0.013 0.000 0.714 239 K HN 0.253 nan 8.250 nan 0.000 0.440 240 D N 0.689 121.166 120.400 0.128 0.000 2.309 240 D HA -0.129 4.510 4.640 -0.001 0.000 0.212 240 D C 1.638 178.021 176.300 0.139 0.000 0.968 240 D CA 0.799 54.884 54.000 0.141 0.000 0.882 240 D CB 0.073 41.002 40.800 0.217 0.000 0.918 240 D HN 0.316 nan 8.370 nan 0.000 0.503 241 L N -0.703 120.611 121.223 0.151 0.000 2.558 241 L HA 0.140 4.479 4.340 -0.001 0.000 0.225 241 L C 1.497 178.416 176.870 0.081 0.000 1.128 241 L CA 0.453 55.377 54.840 0.140 0.000 0.868 241 L CB 0.071 42.227 42.059 0.162 0.000 1.006 241 L HN 0.123 nan 8.230 nan 0.000 0.454 242 G N -0.113 108.708 108.800 0.034 0.000 2.159 242 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.227 242 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.227 242 G C 0.166 175.049 174.900 -0.029 0.000 0.986 242 G CA -0.135 44.965 45.100 0.001 0.000 0.651 242 G HN 0.056 nan 8.290 nan 0.000 0.523 243 V N 2.113 121.998 119.914 -0.049 0.000 2.470 243 V HA 0.310 4.429 4.120 -0.001 0.000 0.276 243 V C 0.387 176.321 176.094 -0.266 0.000 1.040 243 V CA -0.526 61.749 62.300 -0.041 0.000 1.008 243 V CB 1.124 33.024 31.823 0.129 0.000 0.990 243 V HN 0.282 nan 8.190 nan 0.000 0.477 244 D N 4.358 124.701 120.400 -0.096 0.000 2.341 244 D HA 0.365 5.005 4.640 -0.001 0.000 0.245 244 D C -0.429 175.954 176.300 0.139 0.000 1.106 244 D CA 0.351 54.297 54.000 -0.089 0.000 0.905 244 D CB 0.949 41.757 40.800 0.014 0.000 1.202 244 D HN 0.405 nan 8.370 nan 0.000 0.426 245 F N 0.610 120.634 119.950 0.124 0.000 2.477 245 F HA 0.343 4.869 4.527 -0.001 0.000 0.335 245 F C -0.114 175.765 175.800 0.132 0.000 1.130 245 F CA -1.099 57.008 58.000 0.178 0.000 0.948 245 F CB 1.721 40.943 39.000 0.371 0.000 1.154 245 F HN -0.148 nan 8.300 nan 0.000 0.439 246 V N 4.095 124.083 119.914 0.122 0.000 2.495 246 V HA 0.407 4.526 4.120 -0.001 0.000 0.298 246 V C -0.729 175.255 176.094 -0.184 0.000 1.031 246 V CA -0.832 61.456 62.300 -0.020 0.000 0.871 246 V CB 1.827 33.515 31.823 -0.225 0.000 0.988 246 V HN 0.449 nan 8.190 nan 0.000 0.432 247 F N 4.578 124.531 119.950 0.005 0.000 2.467 247 F HA 0.634 5.160 4.527 -0.001 0.000 0.336 247 F C 0.112 175.929 175.800 0.028 0.000 1.123 247 F CA -0.714 57.332 58.000 0.077 0.000 0.964 247 F CB 1.595 40.656 39.000 0.101 0.000 1.136 247 F HN 0.234 nan 8.300 nan 0.000 0.447 248 I N 3.720 124.323 120.570 0.056 0.000 2.390 248 I HA 0.344 4.513 4.170 -0.001 0.000 0.283 248 I C -1.117 175.076 176.117 0.128 0.000 1.016 248 I CA -0.247 61.002 61.300 -0.086 0.000 1.151 248 I CB 1.164 38.725 38.000 -0.733 0.000 1.293 248 I HN 0.468 nan 8.210 nan 0.000 0.458 249 D N 7.893 128.467 120.400 0.291 0.000 2.878 249 D HA 0.227 4.866 4.640 -0.001 0.000 0.211 249 D C -2.387 174.157 176.300 0.408 0.000 1.271 249 D CA -1.497 52.706 54.000 0.339 0.000 0.845 249 D CB 3.266 44.276 40.800 0.349 0.000 1.679 249 D HN 0.007 nan 8.370 nan 0.000 0.536 250 P HA -0.113 nan 4.420 nan 0.000 0.216 250 P C 0.013 177.585 177.300 0.455 0.000 1.150 250 P CA 1.201 64.460 63.100 0.265 0.000 0.843 250 P CB 0.019 31.831 31.700 0.188 0.000 0.787 251 H N -0.970 118.278 119.070 0.297 0.000 2.458 251 H HA 0.340 4.895 4.556 -0.001 0.000 0.330 251 H C -0.270 175.048 175.328 -0.017 0.000 1.111 251 H CA -1.095 55.032 56.048 0.131 0.000 1.245 251 H CB 0.687 30.397 29.762 -0.086 0.000 1.456 251 H HN -0.149 nan 8.280 nan 0.000 0.488 252 M N 6.076 125.177 119.600 -0.831 0.000 2.821 252 M HA -0.011 4.469 4.480 -0.001 0.000 0.305 252 M C -0.385 175.058 176.300 -1.428 0.000 1.466 252 M CA -0.420 53.923 55.300 -1.594 0.000 1.526 252 M CB -0.765 30.603 32.600 -2.055 0.000 1.321 252 M HN 0.666 nan 8.290 nan 0.000 0.492 253 N N 1.927 120.006 118.700 -1.035 0.000 2.260 253 N HA -0.069 4.670 4.740 -0.001 0.000 0.230 253 N C 0.631 175.672 175.510 -0.782 0.000 1.323 253 N CA 0.215 52.734 53.050 -0.884 0.000 0.897 253 N CB 0.291 38.564 38.487 -0.357 0.000 1.146 253 N HN 0.439 nan 8.380 nan 0.000 0.460 254 H N -0.999 117.869 119.070 -0.336 0.000 2.421 254 H HA -0.072 4.484 4.556 -0.001 0.000 0.298 254 H C 1.222 176.349 175.328 -0.335 0.000 1.087 254 H CA 1.911 57.790 56.048 -0.282 0.000 1.330 254 H CB -0.503 29.165 29.762 -0.157 0.000 1.388 254 H HN 0.642 nan 8.280 nan 0.000 0.526 255 T N 0.759 115.141 114.554 -0.287 0.000 2.812 255 T HA -0.001 4.348 4.350 -0.001 0.000 0.264 255 T C 2.396 176.616 174.700 -0.799 0.000 1.042 255 T CA 1.038 62.902 62.100 -0.392 0.000 1.140 255 T CB -0.307 68.384 68.868 -0.294 0.000 0.870 255 T HN 0.436 nan 8.240 nan 0.000 0.445 256 A N 2.111 124.187 122.820 -1.239 0.000 1.908 256 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 256 A C 2.338 179.421 177.584 -0.834 0.000 1.181 256 A CA 1.429 52.489 52.037 -1.628 0.000 0.627 256 A CB -0.538 17.657 19.000 -1.341 0.000 0.818 256 A HN 0.417 nan 8.150 nan 0.000 0.445 257 R N -1.330 118.786 120.500 -0.640 0.000 2.159 257 R HA -0.100 4.240 4.340 -0.001 0.000 0.237 257 R C 1.974 178.099 176.300 -0.292 0.000 1.131 257 R CA 1.375 57.219 56.100 -0.427 0.000 0.982 257 R CB -0.387 29.710 30.300 -0.339 0.000 0.868 257 R HN 0.529 nan 8.270 nan 0.000 0.453 258 L N -0.179 120.868 121.223 -0.293 0.000 2.200 258 L HA -0.012 4.327 4.340 -0.001 0.000 0.200 258 L C 1.463 178.254 176.870 -0.131 0.000 1.072 258 L CA 1.148 55.876 54.840 -0.186 0.000 0.787 258 L CB 0.516 42.478 42.059 -0.162 0.000 0.957 258 L HN 0.021 nan 8.230 nan 0.000 0.459 259 V N -2.989 116.842 119.914 -0.139 0.000 3.078 259 V HA 0.637 4.756 4.120 -0.001 0.000 0.344 259 V C 0.601 176.799 176.094 0.174 0.000 1.409 259 V CA -0.258 62.079 62.300 0.061 0.000 1.146 259 V CB -0.679 31.307 31.823 0.272 0.000 1.126 259 V HN 0.248 nan 8.190 nan 0.000 0.513 260 A N 0.376 123.166 122.820 -0.050 0.000 2.462 260 A HA 0.439 4.758 4.320 -0.001 0.000 0.243 260 A C 0.844 178.531 177.584 0.172 0.000 1.076 260 A CA 0.475 52.588 52.037 0.126 0.000 0.773 260 A CB 0.182 19.098 19.000 -0.141 0.000 1.010 260 A HN 0.464 nan 8.150 nan 0.000 0.493 261 D N -0.199 120.355 120.400 0.257 0.000 2.388 261 D HA 0.156 4.795 4.640 -0.001 0.000 0.208 261 D C 0.095 176.486 176.300 0.152 0.000 1.035 261 D CA 0.970 55.059 54.000 0.147 0.000 0.875 261 D CB 0.480 41.346 40.800 0.109 0.000 0.984 261 D HN 0.478 nan 8.370 nan 0.000 0.508 262 K N -0.279 120.245 120.400 0.207 0.000 2.572 262 K HA 0.267 4.587 4.320 -0.001 0.000 0.263 262 K C -2.419 174.343 176.600 0.270 0.000 0.932 262 K CA -0.674 55.730 56.287 0.195 0.000 0.838 262 K CB 1.412 33.977 32.500 0.108 0.000 1.366 262 K HN -0.119 nan 8.250 nan 0.000 0.425 263 W N 6.379 127.737 121.300 0.098 0.000 2.739 263 W HA 0.663 5.322 4.660 -0.001 0.000 0.331 263 W C -1.840 174.865 176.519 0.310 0.000 1.049 263 W CA -1.016 56.397 57.345 0.114 0.000 1.234 263 W CB 0.944 30.433 29.460 0.048 0.000 1.404 263 W HN 0.314 nan 8.180 nan 0.000 0.477 264 F N 4.109 123.832 119.950 -0.378 0.000 2.469 264 F HA 0.450 4.976 4.527 -0.001 0.000 0.332 264 F C 0.318 175.631 175.800 -0.811 0.000 1.103 264 F CA -1.774 55.901 58.000 -0.541 0.000 0.979 264 F CB 1.910 40.738 39.000 -0.288 0.000 1.137 264 F HN 0.273 nan 8.300 nan 0.000 0.463 265 S N 5.681 121.004 115.700 -0.627 0.000 2.252 265 S HA 0.422 4.891 4.470 -0.001 0.000 0.187 265 S C -2.826 171.660 174.600 -0.191 0.000 1.587 265 S CA -1.450 56.489 58.200 -0.434 0.000 1.215 265 S CB 0.185 62.989 63.200 -0.661 0.000 1.085 265 S HN 0.270 nan 8.310 nan 0.000 0.466 266 P HA 0.231 nan 4.420 nan 0.000 0.279 266 P C -0.551 176.744 177.300 -0.008 0.000 1.239 266 P CA -0.482 62.601 63.100 -0.028 0.000 0.789 266 P CB 0.712 32.454 31.700 0.070 0.000 0.933 267 K N 2.286 122.665 120.400 -0.035 0.000 2.440 267 K HA 0.068 4.387 4.320 -0.001 0.000 0.270 267 K C 0.923 177.504 176.600 -0.031 0.000 0.980 267 K CA -0.183 56.084 56.287 -0.034 0.000 0.953 267 K CB -0.065 32.403 32.500 -0.054 0.000 0.925 267 K HN 0.511 nan 8.250 nan 0.000 0.497 268 I N -1.380 119.165 120.570 -0.043 0.000 2.815 268 I HA 0.044 4.214 4.170 -0.001 0.000 0.291 268 I C 1.012 177.011 176.117 -0.197 0.000 1.209 268 I CA 0.408 61.654 61.300 -0.089 0.000 1.431 268 I CB -0.088 37.869 38.000 -0.071 0.000 1.351 268 I HN 0.840 nan 8.210 nan 0.000 0.585 269 G N 3.450 111.956 108.800 -0.490 0.000 2.179 269 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.257 269 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.257 269 G C 0.523 175.199 174.900 -0.373 0.000 1.010 269 G CA 0.630 45.166 45.100 -0.941 0.000 0.736 269 G HN 1.343 nan 8.290 nan 0.000 0.513 270 T N -3.875 110.621 114.554 -0.096 0.000 3.091 270 T HA 0.281 4.630 4.350 -0.001 0.000 0.277 270 T C 1.261 176.217 174.700 0.426 0.000 0.996 270 T CA 0.784 63.011 62.100 0.211 0.000 0.897 270 T CB 0.378 69.295 68.868 0.081 0.000 1.109 270 T HN 0.155 nan 8.240 nan 0.000 0.534 271 D N 2.605 123.359 120.400 0.591 0.000 2.133 271 D HA -0.191 4.448 4.640 -0.001 0.000 0.195 271 D C 1.968 178.804 176.300 0.893 0.000 0.997 271 D CA 1.767 56.262 54.000 0.825 0.000 0.840 271 D CB -0.203 41.141 40.800 0.906 0.000 0.947 271 D HN 0.714 nan 8.370 nan 0.000 0.452 272 H N 0.573 120.048 119.070 0.675 0.000 2.518 272 H HA 0.151 4.707 4.556 -0.001 0.000 0.289 272 H C 1.790 177.615 175.328 0.829 0.000 1.051 272 H CA 0.969 57.410 56.048 0.654 0.000 1.280 272 H CB -0.637 29.530 29.762 0.676 0.000 1.380 272 H HN 0.066 nan 8.280 nan 0.000 0.566 273 A N 1.826 124.942 122.820 0.494 0.000 1.968 273 A HA 0.046 4.365 4.320 -0.001 0.000 0.217 273 A C 2.696 180.481 177.584 0.335 0.000 1.169 273 A CA 0.823 52.973 52.037 0.189 0.000 0.638 273 A CB -0.599 18.158 19.000 -0.405 0.000 0.812 273 A HN 0.356 nan 8.150 nan 0.000 0.446 274 L N 0.250 121.722 121.223 0.414 0.000 2.044 274 L HA -0.140 4.199 4.340 -0.001 0.000 0.205 274 L C 3.052 180.221 176.870 0.497 0.000 1.075 274 L CA 1.601 56.707 54.840 0.443 0.000 0.747 274 L CB -0.737 41.664 42.059 0.569 0.000 0.903 274 L HN 0.600 nan 8.230 nan 0.000 0.435 275 S N -0.090 115.932 115.700 0.538 0.000 2.382 275 S HA -0.192 4.277 4.470 -0.001 0.000 0.228 275 S C 1.925 176.604 174.600 0.131 0.000 1.027 275 S CA 1.081 59.425 58.200 0.240 0.000 0.991 275 S CB -0.919 62.274 63.200 -0.011 0.000 0.823 275 S HN 0.286 nan 8.310 nan 0.000 0.469 276 F N 2.239 122.371 119.950 0.302 0.000 2.186 276 F HA 0.121 4.647 4.527 -0.001 0.000 0.299 276 F C 2.843 178.693 175.800 0.083 0.000 1.090 276 F CA 0.792 58.907 58.000 0.191 0.000 1.307 276 F CB -0.427 38.689 39.000 0.195 0.000 1.019 276 F HN 0.328 nan 8.300 nan 0.000 0.489 277 A N -0.036 122.979 122.820 0.326 0.000 2.014 277 A HA -0.063 4.256 4.320 -0.001 0.000 0.218 277 A C 2.117 179.744 177.584 0.072 0.000 1.163 277 A CA 1.070 53.228 52.037 0.201 0.000 0.652 277 A CB -0.830 18.291 19.000 0.202 0.000 0.808 277 A HN 0.405 nan 8.150 nan 0.000 0.449 278 I N -0.473 120.060 120.570 -0.062 0.000 2.286 278 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 278 I C 2.934 178.565 176.117 -0.811 0.000 1.104 278 I CA 0.917 61.942 61.300 -0.459 0.000 1.397 278 I CB -0.326 37.332 38.000 -0.570 0.000 1.072 278 I HN 0.344 nan 8.210 nan 0.000 0.417 279 A N 0.478 123.034 122.820 -0.440 0.000 1.873 279 A HA -0.287 4.032 4.320 -0.001 0.000 0.215 279 A C 2.309 179.837 177.584 -0.093 0.000 1.186 279 A CA 1.488 53.398 52.037 -0.213 0.000 0.616 279 A CB -1.112 17.953 19.000 0.109 0.000 0.823 279 A HN 0.516 nan 8.150 nan 0.000 0.442 280 Y N 1.522 121.725 120.300 -0.161 0.000 2.151 280 Y HA -0.251 4.298 4.550 -0.001 0.000 0.284 280 Y C 2.551 178.411 175.900 -0.066 0.000 1.166 280 Y CA 2.467 60.485 58.100 -0.137 0.000 1.163 280 Y CB -0.753 37.622 38.460 -0.142 0.000 0.974 280 Y HN 0.312 nan 8.280 nan 0.000 0.511 281 T N -0.276 114.247 114.554 -0.052 0.000 2.746 281 T HA -0.200 4.149 4.350 -0.001 0.000 0.267 281 T C 1.398 176.155 174.700 0.095 0.000 1.039 281 T CA 1.582 63.661 62.100 -0.034 0.000 1.142 281 T CB -0.506 68.379 68.868 0.029 0.000 0.866 281 T HN 0.480 nan 8.240 nan 0.000 0.444 282 W N 1.369 122.663 121.300 -0.011 0.000 2.402 282 W HA 0.180 4.840 4.660 -0.001 0.000 0.286 282 W C 1.992 178.560 176.519 0.081 0.000 1.221 282 W CA -0.069 57.303 57.345 0.046 0.000 1.257 282 W CB -1.290 28.177 29.460 0.011 0.000 1.120 282 W HN 0.287 nan 8.180 nan 0.000 0.551 283 L N 0.053 121.359 121.223 0.138 0.000 2.072 283 L HA -0.136 4.204 4.340 -0.001 0.000 0.205 283 L C 2.507 179.384 176.870 0.011 0.000 1.079 283 L CA 1.008 55.897 54.840 0.083 0.000 0.752 283 L CB -0.723 41.285 42.059 -0.085 0.000 0.906 283 L HN -0.252 nan 8.230 nan 0.000 0.436 284 K N 0.368 120.663 120.400 -0.176 0.000 2.288 284 K HA -0.077 4.242 4.320 -0.001 0.000 0.201 284 K C 1.311 177.888 176.600 -0.039 0.000 1.048 284 K CA 1.072 57.238 56.287 -0.201 0.000 0.956 284 K CB 0.097 32.338 32.500 -0.431 0.000 0.746 284 K HN 0.414 nan 8.250 nan 0.000 0.461 285 E N 0.347 120.576 120.200 0.049 0.000 2.538 285 E HA 0.018 4.367 4.350 -0.001 0.000 0.207 285 E C -0.780 175.887 176.600 0.112 0.000 1.002 285 E CA -0.151 56.301 56.400 0.088 0.000 0.952 285 E CB 0.505 30.279 29.700 0.123 0.000 1.031 285 E HN 0.154 nan 8.360 nan 0.000 0.476 286 D N 1.183 121.679 120.400 0.159 0.000 2.751 286 D HA -0.143 4.496 4.640 -0.001 0.000 0.233 286 D C -0.211 176.136 176.300 0.078 0.000 1.149 286 D CA 1.170 55.247 54.000 0.128 0.000 0.682 286 D CB -1.268 39.547 40.800 0.025 0.000 1.068 286 D HN 0.250 nan 8.370 nan 0.000 0.429 287 S N -0.063 115.751 115.700 0.189 0.000 2.979 287 S HA 0.419 4.888 4.470 -0.001 0.000 0.210 287 S C -0.172 174.385 174.600 -0.071 0.000 1.364 287 S CA -0.744 57.480 58.200 0.040 0.000 1.208 287 S CB -0.204 63.034 63.200 0.065 0.000 1.167 287 S HN 0.423 nan 8.310 nan 0.000 0.519 288 Y N -2.377 117.804 120.300 -0.197 0.000 2.705 288 Y HA 0.645 5.194 4.550 -0.001 0.000 0.332 288 Y C -1.050 174.746 175.900 -0.173 0.000 1.221 288 Y CA -1.554 56.379 58.100 -0.278 0.000 1.059 288 Y CB 0.293 38.662 38.460 -0.151 0.000 1.298 288 Y HN 0.071 nan 8.280 nan 0.000 0.459 289 D N 1.850 122.176 120.400 -0.125 0.000 2.508 289 D HA 0.155 4.794 4.640 -0.001 0.000 0.224 289 D C 0.442 176.650 176.300 -0.153 0.000 1.171 289 D CA 0.239 54.147 54.000 -0.154 0.000 1.006 289 D CB 0.452 41.185 40.800 -0.112 0.000 1.073 289 D HN 0.701 nan 8.370 nan 0.000 0.513 290 K N 1.333 121.486 120.400 -0.413 0.000 2.032 290 K HA -0.201 4.118 4.320 -0.001 0.000 0.209 290 K C 1.479 178.004 176.600 -0.126 0.000 1.048 290 K CA 1.198 57.279 56.287 -0.342 0.000 0.927 290 K CB 0.270 32.534 32.500 -0.393 0.000 0.712 290 K HN 0.204 nan 8.250 nan 0.000 0.441 291 E N 0.232 120.373 120.200 -0.098 0.000 2.058 291 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 291 E C 1.762 178.345 176.600 -0.028 0.000 0.997 291 E CA 1.299 57.665 56.400 -0.057 0.000 0.801 291 E CB -0.457 29.213 29.700 -0.049 0.000 0.746 291 E HN 0.356 nan 8.360 nan 0.000 0.450 292 Y N 0.729 120.958 120.300 -0.118 0.000 2.070 292 Y HA -0.270 4.279 4.550 -0.001 0.000 0.280 292 Y C 2.189 178.027 175.900 -0.103 0.000 1.148 292 Y CA 1.581 59.615 58.100 -0.109 0.000 1.125 292 Y CB -0.331 38.077 38.460 -0.086 0.000 0.975 292 Y HN -0.114 nan 8.280 nan 0.000 0.492 293 V N 0.479 120.470 119.914 0.128 0.000 2.392 293 V HA -0.361 3.758 4.120 -0.001 0.000 0.249 293 V C 2.616 178.643 176.094 -0.111 0.000 1.059 293 V CA 1.815 64.087 62.300 -0.047 0.000 1.051 293 V CB -1.560 30.097 31.823 -0.277 0.000 0.658 293 V HN 0.601 nan 8.190 nan 0.000 0.455 294 A N -0.486 122.285 122.820 -0.083 0.000 2.019 294 A HA -0.031 4.288 4.320 -0.001 0.000 0.219 294 A C 2.271 179.819 177.584 -0.060 0.000 1.164 294 A CA 2.078 54.085 52.037 -0.049 0.000 0.644 294 A CB -0.422 18.555 19.000 -0.038 0.000 0.805 294 A HN 0.592 nan 8.150 nan 0.000 0.449 295 A N -1.016 121.727 122.820 -0.129 0.000 2.014 295 A HA 0.098 4.418 4.320 -0.001 0.000 0.210 295 A C 1.479 178.939 177.584 -0.206 0.000 1.188 295 A CA 0.770 52.708 52.037 -0.166 0.000 0.731 295 A CB 0.020 18.882 19.000 -0.229 0.000 0.858 295 A HN 0.446 nan 8.150 nan 0.000 0.464 296 N N -0.097 118.431 118.700 -0.288 0.000 2.203 296 N HA 0.343 5.082 4.740 -0.001 0.000 0.207 296 N C -0.034 175.557 175.510 0.135 0.000 1.130 296 N CA 0.690 53.605 53.050 -0.226 0.000 0.861 296 N CB 0.892 38.950 38.487 -0.715 0.000 1.005 296 N HN 0.420 nan 8.380 nan 0.000 0.507 297 A N 0.093 123.002 122.820 0.147 0.000 2.356 297 A HA 0.584 4.903 4.320 -0.001 0.000 0.323 297 A C -1.205 176.583 177.584 0.340 0.000 1.119 297 A CA -0.447 51.785 52.037 0.324 0.000 0.790 297 A CB 1.314 20.466 19.000 0.254 0.000 1.273 297 A HN 0.325 nan 8.150 nan 0.000 0.452 298 H N -0.417 118.858 119.070 0.340 0.000 2.589 298 H HA 0.507 5.062 4.556 -0.001 0.000 0.351 298 H C 0.762 176.284 175.328 0.324 0.000 1.074 298 H CA 0.551 56.760 56.048 0.267 0.000 1.203 298 H CB 1.476 31.366 29.762 0.215 0.000 1.558 298 H HN 1.659 nan 8.280 nan 0.000 0.522 299 G N 3.709 112.312 108.800 -0.329 0.000 2.179 299 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.257 299 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.257 299 G C 0.649 175.602 174.900 0.089 0.000 1.010 299 G CA 0.707 45.720 45.100 -0.145 0.000 0.736 299 G HN 0.622 nan 8.290 nan 0.000 0.513 300 F N 0.839 120.742 119.950 -0.078 0.000 2.206 300 F HA 0.123 4.649 4.527 -0.001 0.000 0.298 300 F C 2.304 178.107 175.800 0.005 0.000 1.090 300 F CA 2.067 59.943 58.000 -0.207 0.000 1.323 300 F CB 0.101 38.921 39.000 -0.300 0.000 1.028 300 F HN 0.284 nan 8.300 nan 0.000 0.492 301 E N 0.600 120.849 120.200 0.082 0.000 2.058 301 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 301 E C 1.948 178.525 176.600 -0.037 0.000 0.997 301 E CA 1.894 58.311 56.400 0.028 0.000 0.801 301 E CB -0.442 29.298 29.700 0.068 0.000 0.746 301 E HN 0.443 nan 8.360 nan 0.000 0.450 302 E N -0.366 119.838 120.200 0.008 0.000 2.072 302 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 302 E C 1.641 178.270 176.600 0.047 0.000 0.985 302 E CA 1.002 57.419 56.400 0.029 0.000 0.801 302 E CB -0.379 29.356 29.700 0.059 0.000 0.750 302 E HN 0.354 nan 8.360 nan 0.000 0.452 303 W N 1.438 122.654 121.300 -0.141 0.000 2.358 303 W HA -0.152 4.507 4.660 -0.001 0.000 0.303 303 W C 2.317 178.714 176.519 -0.203 0.000 1.208 303 W CA 2.066 59.343 57.345 -0.114 0.000 1.274 303 W CB -0.447 28.920 29.460 -0.155 0.000 1.138 303 W HN 0.076 nan 8.180 nan 0.000 0.515 304 A N 0.186 122.757 122.820 -0.416 0.000 1.883 304 A HA -0.259 4.060 4.320 -0.001 0.000 0.217 304 A C 1.760 179.139 177.584 -0.343 0.000 1.186 304 A CA 2.210 53.939 52.037 -0.515 0.000 0.624 304 A CB -1.097 17.653 19.000 -0.417 0.000 0.822 304 A HN 0.302 nan 8.150 nan 0.000 0.444 305 D N -1.940 118.335 120.400 -0.208 0.000 2.178 305 D HA -0.145 4.494 4.640 -0.001 0.000 0.201 305 D C 1.604 177.785 176.300 -0.198 0.000 0.980 305 D CA 1.464 55.370 54.000 -0.156 0.000 0.842 305 D CB -0.330 40.421 40.800 -0.081 0.000 0.948 305 D HN 0.661 nan 8.370 nan 0.000 0.472 306 Y N 1.518 121.625 120.300 -0.322 0.000 2.184 306 Y HA -0.169 4.380 4.550 -0.001 0.000 0.290 306 Y C 2.201 177.812 175.900 -0.482 0.000 1.129 306 Y CA 0.980 58.861 58.100 -0.364 0.000 1.144 306 Y CB -0.382 37.869 38.460 -0.348 0.000 0.995 306 Y HN -0.228 nan 8.280 nan 0.000 0.513 307 V N 0.930 120.446 119.914 -0.664 0.000 2.392 307 V HA -0.326 3.793 4.120 -0.001 0.000 0.249 307 V C 2.317 178.140 176.094 -0.452 0.000 1.059 307 V CA 2.049 63.960 62.300 -0.647 0.000 1.051 307 V CB -0.812 30.612 31.823 -0.665 0.000 0.658 307 V HN 0.445 nan 8.190 nan 0.000 0.455 308 L N 0.311 121.336 121.223 -0.330 0.000 2.552 308 L HA 0.190 4.530 4.340 -0.001 0.000 0.227 308 L C 1.806 178.527 176.870 -0.249 0.000 1.146 308 L CA 0.864 55.615 54.840 -0.148 0.000 0.858 308 L CB -0.711 41.270 42.059 -0.129 0.000 0.969 308 L HN 0.578 nan 8.230 nan 0.000 0.451 309 G N 0.161 108.692 108.800 -0.449 0.000 2.143 309 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.248 309 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.248 309 G C 0.990 175.717 174.900 -0.289 0.000 0.991 309 G CA 0.654 45.476 45.100 -0.462 0.000 0.689 309 G HN 0.379 nan 8.290 nan 0.000 0.522 310 K N -0.352 119.917 120.400 -0.218 0.000 2.025 310 K HA -0.045 4.275 4.320 -0.001 0.000 0.207 310 K C 2.823 179.356 176.600 -0.112 0.000 1.049 310 K CA 1.905 58.110 56.287 -0.137 0.000 0.933 310 K CB -0.286 32.153 32.500 -0.102 0.000 0.714 310 K HN 0.577 nan 8.250 nan 0.000 0.438 311 T N -0.247 114.246 114.554 -0.102 0.000 3.014 311 T HA -0.067 4.282 4.350 -0.001 0.000 0.263 311 T C 1.334 176.007 174.700 -0.045 0.000 1.078 311 T CA 1.164 63.236 62.100 -0.046 0.000 1.135 311 T CB -0.069 68.806 68.868 0.012 0.000 0.895 311 T HN 0.219 nan 8.240 nan 0.000 0.480 312 D N 0.311 120.649 120.400 -0.103 0.000 2.441 312 D HA 0.235 4.874 4.640 -0.001 0.000 0.210 312 D C 1.628 177.842 176.300 -0.144 0.000 1.102 312 D CA 0.507 54.451 54.000 -0.095 0.000 0.840 312 D CB -0.524 40.228 40.800 -0.080 0.000 0.990 312 D HN 0.542 nan 8.370 nan 0.000 0.505 313 G N -0.154 108.538 108.800 -0.181 0.000 2.143 313 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.249 313 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.249 313 G C 0.097 174.859 174.900 -0.230 0.000 0.981 313 G CA 0.486 45.484 45.100 -0.170 0.000 0.665 313 G HN 0.442 nan 8.290 nan 0.000 0.528 314 T N 2.086 116.428 114.554 -0.353 0.000 2.991 314 T HA 0.510 4.860 4.350 -0.001 0.000 0.347 314 T C -2.702 171.590 174.700 -0.681 0.000 1.122 314 T CA -0.972 60.847 62.100 -0.468 0.000 1.062 314 T CB 2.546 71.116 68.868 -0.496 0.000 1.043 314 T HN 0.036 nan 8.240 nan 0.000 0.491 315 P HA 0.096 nan 4.420 nan 0.000 0.264 315 P C -0.046 176.674 177.300 -0.966 0.000 1.193 315 P CA -0.431 62.287 63.100 -0.636 0.000 0.763 315 P CB 0.474 31.916 31.700 -0.430 0.000 0.810 316 K N 2.644 122.395 120.400 -1.083 0.000 2.480 316 K HA 0.115 4.434 4.320 -0.001 0.000 0.241 316 K C 0.550 176.664 176.600 -0.809 0.000 1.261 316 K CA 0.160 55.755 56.287 -1.153 0.000 1.193 316 K CB -1.158 30.792 32.500 -0.916 0.000 1.598 316 K HN 0.472 nan 8.250 nan 0.000 0.278 317 T N -3.113 111.013 114.554 -0.714 0.000 2.828 317 T HA 0.061 4.410 4.350 -0.001 0.000 0.290 317 T C 1.651 176.333 174.700 -0.030 0.000 1.019 317 T CA -0.707 61.090 62.100 -0.505 0.000 1.031 317 T CB 0.974 69.632 68.868 -0.349 0.000 1.001 317 T HN 0.414 nan 8.240 nan 0.000 0.531 318 C N 1.082 120.388 119.300 0.010 0.000 2.422 318 C HA -0.016 4.443 4.460 -0.001 0.000 0.279 318 C C 2.737 177.721 174.990 -0.010 0.000 1.305 318 C CA 0.607 59.646 59.018 0.036 0.000 1.757 318 C CB -1.463 26.303 27.740 0.044 0.000 1.962 318 C HN 0.981 nan 8.230 nan 0.000 0.499 319 E N -0.325 119.869 120.200 -0.011 0.000 2.072 319 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 319 E C 1.662 178.239 176.600 -0.039 0.000 0.985 319 E CA 1.123 57.503 56.400 -0.033 0.000 0.801 319 E CB -0.391 29.295 29.700 -0.023 0.000 0.750 319 E HN 0.849 nan 8.360 nan 0.000 0.452 320 W N 1.417 122.600 121.300 -0.196 0.000 2.358 320 W HA -0.169 4.490 4.660 -0.001 0.000 0.303 320 W C 2.145 178.536 176.519 -0.214 0.000 1.208 320 W CA 2.180 59.393 57.345 -0.221 0.000 1.274 320 W CB -0.377 28.902 29.460 -0.301 0.000 1.138 320 W HN 0.040 nan 8.180 nan 0.000 0.515 321 A N 0.008 122.643 122.820 -0.309 0.000 2.015 321 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 321 A C 2.007 179.355 177.584 -0.394 0.000 1.163 321 A CA 1.747 53.460 52.037 -0.541 0.000 0.646 321 A CB -0.922 18.002 19.000 -0.126 0.000 0.806 321 A HN 0.575 nan 8.150 nan 0.000 0.448 322 E N -0.180 119.862 120.200 -0.264 0.000 2.072 322 E HA -0.214 4.135 4.350 -0.001 0.000 0.190 322 E C 1.940 178.393 176.600 -0.244 0.000 0.982 322 E CA 1.142 57.408 56.400 -0.223 0.000 0.803 322 E CB -0.170 29.431 29.700 -0.165 0.000 0.755 322 E HN 0.726 nan 8.360 nan 0.000 0.453 323 E N -0.143 119.895 120.200 -0.270 0.000 2.204 323 E HA -0.199 4.150 4.350 -0.001 0.000 0.195 323 E C 1.812 178.236 176.600 -0.293 0.000 0.990 323 E CA 0.905 57.156 56.400 -0.248 0.000 0.821 323 E CB 0.224 29.792 29.700 -0.221 0.000 0.750 323 E HN 0.238 nan 8.360 nan 0.000 0.477 324 E N -0.246 119.696 120.200 -0.431 0.000 2.060 324 E HA -0.082 4.268 4.350 -0.001 0.000 0.189 324 E C 2.171 178.638 176.600 -0.221 0.000 0.974 324 E CA 1.360 57.537 56.400 -0.371 0.000 0.808 324 E CB 0.060 29.390 29.700 -0.617 0.000 0.768 324 E HN 0.260 nan 8.360 nan 0.000 0.453 325 S N -1.486 114.079 115.700 -0.224 0.000 2.492 325 S HA 0.233 4.702 4.470 -0.001 0.000 0.218 325 S C 1.659 176.171 174.600 -0.146 0.000 1.016 325 S CA 0.797 58.914 58.200 -0.139 0.000 0.916 325 S CB 0.828 63.966 63.200 -0.103 0.000 0.791 325 S HN 0.295 nan 8.310 nan 0.000 0.513 326 G N 0.660 109.356 108.800 -0.173 0.000 2.199 326 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.254 326 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.254 326 G C 0.056 174.833 174.900 -0.205 0.000 0.982 326 G CA 0.065 45.065 45.100 -0.166 0.000 0.632 326 G HN 0.718 nan 8.290 nan 0.000 0.529 327 V N 2.489 122.258 119.914 -0.242 0.000 2.488 327 V HA 0.390 4.509 4.120 -0.001 0.000 0.277 327 V C -1.488 174.410 176.094 -0.325 0.000 1.046 327 V CA -1.362 60.728 62.300 -0.350 0.000 0.986 327 V CB 1.316 32.876 31.823 -0.439 0.000 0.989 327 V HN 0.097 nan 8.190 nan 0.000 0.475 328 P HA -0.013 nan 4.420 nan 0.000 0.260 328 P C 0.620 177.794 177.300 -0.211 0.000 1.172 328 P CA 0.492 63.454 63.100 -0.231 0.000 0.760 328 P CB 0.658 32.236 31.700 -0.204 0.000 0.773 329 A N 4.260 127.000 122.820 -0.133 0.000 1.873 329 A HA -0.282 4.037 4.320 -0.001 0.000 0.218 329 A C 2.270 179.827 177.584 -0.045 0.000 1.193 329 A CA 2.210 54.198 52.037 -0.082 0.000 0.629 329 A CB -1.886 17.083 19.000 -0.051 0.000 0.826 329 A HN 0.752 nan 8.150 nan 0.000 0.447 330 C N -0.534 118.746 119.300 -0.033 0.000 2.401 330 C HA -0.141 4.318 4.460 -0.001 0.000 0.276 330 C C 2.294 177.300 174.990 0.025 0.000 1.233 330 C CA 1.256 60.278 59.018 0.007 0.000 1.753 330 C CB -1.715 26.030 27.740 0.008 0.000 2.029 330 C HN 0.666 nan 8.230 nan 0.000 0.478 331 E N 1.141 121.321 120.200 -0.033 0.000 2.106 331 E HA -0.072 4.277 4.350 -0.001 0.000 0.192 331 E C 2.156 178.814 176.600 0.097 0.000 0.984 331 E CA 1.376 57.786 56.400 0.017 0.000 0.806 331 E CB -0.236 29.361 29.700 -0.172 0.000 0.750 331 E HN 0.739 nan 8.360 nan 0.000 0.458 332 I N 0.883 121.421 120.570 -0.054 0.000 2.226 332 I HA -0.265 3.904 4.170 -0.001 0.000 0.245 332 I C 2.769 178.987 176.117 0.168 0.000 1.100 332 I CA 1.067 62.410 61.300 0.073 0.000 1.374 332 I CB -0.228 37.769 38.000 -0.006 0.000 1.057 332 I HN 0.019 nan 8.210 nan 0.000 0.413 333 R N 1.125 121.698 120.500 0.122 0.000 2.090 333 R HA -0.112 4.227 4.340 -0.001 0.000 0.228 333 R C 2.369 178.784 176.300 0.192 0.000 1.110 333 R CA 1.333 57.521 56.100 0.146 0.000 0.973 333 R CB -0.158 30.211 30.300 0.116 0.000 0.869 333 R HN 0.334 nan 8.270 nan 0.000 0.440 334 A N 1.076 124.010 122.820 0.190 0.000 1.930 334 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 334 A C 1.993 179.736 177.584 0.266 0.000 1.175 334 A CA 1.111 53.270 52.037 0.205 0.000 0.627 334 A CB -0.511 18.597 19.000 0.179 0.000 0.815 334 A HN 0.384 nan 8.150 nan 0.000 0.443 335 L N -0.309 121.108 121.223 0.324 0.000 2.093 335 L HA 0.006 4.345 4.340 -0.001 0.000 0.208 335 L C 2.559 179.730 176.870 0.501 0.000 1.085 335 L CA 2.060 57.126 54.840 0.375 0.000 0.755 335 L CB -0.734 41.572 42.059 0.413 0.000 0.904 335 L HN 0.316 nan 8.230 nan 0.000 0.435 336 A N -0.277 122.803 122.820 0.434 0.000 1.902 336 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 336 A C 2.427 180.425 177.584 0.691 0.000 1.181 336 A CA 1.721 54.051 52.037 0.489 0.000 0.623 336 A CB -0.492 18.593 19.000 0.142 0.000 0.818 336 A HN 0.508 nan 8.150 nan 0.000 0.443 337 R N -1.322 119.443 120.500 0.442 0.000 2.090 337 R HA -0.106 4.233 4.340 -0.001 0.000 0.228 337 R C 2.451 178.939 176.300 0.315 0.000 1.110 337 R CA 1.460 57.771 56.100 0.352 0.000 0.973 337 R CB -0.209 30.235 30.300 0.240 0.000 0.869 337 R HN 0.593 nan 8.270 nan 0.000 0.440 338 Q N 0.034 120.027 119.800 0.322 0.000 2.083 338 Q HA -0.161 4.178 4.340 -0.001 0.000 0.198 338 Q C 1.616 177.812 176.000 0.326 0.000 0.969 338 Q CA 1.305 57.265 55.803 0.261 0.000 0.838 338 Q CB -0.244 28.625 28.738 0.217 0.000 0.900 338 Q HN 0.364 nan 8.270 nan 0.000 0.436 339 W N 0.618 122.062 121.300 0.238 0.000 2.335 339 W HA -0.176 4.483 4.660 -0.001 0.000 0.311 339 W C 2.001 178.564 176.519 0.072 0.000 1.213 339 W CA 2.242 59.734 57.345 0.245 0.000 1.274 339 W CB -0.997 28.778 29.460 0.525 0.000 1.148 339 W HN 0.287 nan 8.180 nan 0.000 0.498 340 A N 1.099 124.093 122.820 0.291 0.000 1.883 340 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 340 A C 2.026 179.587 177.584 -0.038 0.000 1.186 340 A CA 2.717 54.660 52.037 -0.157 0.000 0.624 340 A CB -0.937 17.914 19.000 -0.249 0.000 0.822 340 A HN 0.480 nan 8.150 nan 0.000 0.444 341 K N -1.634 118.804 120.400 0.063 0.000 2.426 341 K HA 0.104 4.424 4.320 -0.001 0.000 0.193 341 K C 0.028 176.658 176.600 0.049 0.000 1.028 341 K CA 0.223 56.536 56.287 0.042 0.000 1.047 341 K CB 0.216 32.752 32.500 0.060 0.000 0.821 341 K HN 0.085 nan 8.250 nan 0.000 0.513 342 K N 1.324 121.772 120.400 0.079 0.000 2.238 342 K HA 0.249 4.568 4.320 -0.001 0.000 0.239 342 K C -0.808 175.816 176.600 0.041 0.000 0.987 342 K CA -0.975 55.351 56.287 0.065 0.000 0.857 342 K CB 1.068 33.617 32.500 0.082 0.000 1.154 342 K HN -0.067 nan 8.250 nan 0.000 0.439 343 N N 1.555 120.273 118.700 0.030 0.000 2.421 343 N HA 0.107 4.846 4.740 -0.001 0.000 0.260 343 N C -0.927 174.565 175.510 -0.030 0.000 1.173 343 N CA 0.290 53.327 53.050 -0.022 0.000 0.960 343 N CB 0.211 38.716 38.487 0.030 0.000 1.273 343 N HN 0.280 nan 8.380 nan 0.000 0.497 344 T N 2.454 116.951 114.554 -0.096 0.000 2.797 344 T HA 0.352 4.701 4.350 -0.001 0.000 0.279 344 T C -0.305 174.259 174.700 -0.226 0.000 0.991 344 T CA -0.352 61.666 62.100 -0.137 0.000 0.979 344 T CB 0.548 69.256 68.868 -0.267 0.000 0.943 344 T HN 0.191 nan 8.240 nan 0.000 0.444 345 Y N 1.907 122.174 120.300 -0.055 0.000 2.342 345 Y HA 0.530 5.079 4.550 -0.001 0.000 0.334 345 Y C -0.017 175.802 175.900 -0.135 0.000 1.067 345 Y CA -1.285 56.823 58.100 0.013 0.000 1.128 345 Y CB 1.142 39.700 38.460 0.164 0.000 1.200 345 Y HN 0.414 nan 8.280 nan 0.000 0.464 346 L N 3.907 125.205 121.223 0.125 0.000 2.261 346 L HA 0.606 4.945 4.340 -0.001 0.000 0.289 346 L C 0.034 176.920 176.870 0.028 0.000 1.059 346 L CA -0.505 54.378 54.840 0.072 0.000 0.816 346 L CB 0.271 42.519 42.059 0.314 0.000 1.191 346 L HN 0.699 nan 8.230 nan 0.000 0.431 347 A N 5.633 128.359 122.820 -0.156 0.000 3.078 347 A HA 0.689 5.008 4.320 -0.001 0.000 0.279 347 A C 0.511 178.153 177.584 0.097 0.000 1.594 347 A CA -0.061 51.862 52.037 -0.191 0.000 1.301 347 A CB -0.696 17.909 19.000 -0.659 0.000 1.162 347 A HN 0.937 nan 8.150 nan 0.000 0.585 348 A N 1.623 124.561 122.820 0.197 0.000 2.395 348 A HA 0.597 4.916 4.320 -0.001 0.000 0.286 348 A C 1.111 178.950 177.584 0.423 0.000 1.193 348 A CA 0.604 52.895 52.037 0.423 0.000 0.852 348 A CB -0.797 18.389 19.000 0.310 0.000 1.118 348 A HN 2.541 nan 8.150 nan 0.000 0.524 349 G N 1.618 110.743 108.800 0.542 0.000 2.829 349 G HA2 0.168 4.127 3.960 -0.001 0.000 0.628 349 G HA3 0.168 4.127 3.960 -0.001 0.000 0.628 349 G C 0.836 175.852 174.900 0.193 0.000 1.412 349 G CA -0.113 45.216 45.100 0.382 0.000 0.864 349 G HN 1.703 nan 8.290 nan 0.000 0.544 350 G N -1.168 107.717 108.800 0.142 0.000 2.777 350 G HA2 0.341 4.300 3.960 -0.001 0.000 0.211 350 G HA3 0.341 4.300 3.960 -0.001 0.000 0.211 350 G C 1.605 176.487 174.900 -0.030 0.000 1.149 350 G CA 1.591 46.727 45.100 0.060 0.000 0.785 350 G HN 1.195 nan 8.290 nan 0.000 0.536 351 L N -0.250 120.927 121.223 -0.077 0.000 2.470 351 L HA 0.507 4.846 4.340 -0.001 0.000 0.219 351 L C 1.129 177.793 176.870 -0.342 0.000 1.071 351 L CA 1.401 56.069 54.840 -0.285 0.000 0.850 351 L CB 0.411 42.081 42.059 -0.649 0.000 1.040 351 L HN 0.275 nan 8.230 nan 0.000 0.475 352 G N -0.619 108.000 108.800 -0.301 0.000 2.859 352 G HA2 0.430 4.389 3.960 -0.001 0.000 0.251 352 G HA3 0.430 4.389 3.960 -0.001 0.000 0.251 352 G C 0.247 174.833 174.900 -0.523 0.000 0.978 352 G CA -0.296 44.624 45.100 -0.299 0.000 1.270 352 G HN 1.086 nan 8.290 nan 0.000 0.601 353 G N 0.120 108.584 108.800 -0.560 0.000 2.373 353 G HA2 0.453 4.412 3.960 -0.001 0.000 0.634 353 G HA3 0.453 4.412 3.960 -0.001 0.000 0.634 353 G C 0.366 175.001 174.900 -0.442 0.000 1.267 353 G CA 0.489 44.928 45.100 -1.101 0.000 1.008 353 G HN 2.015 nan 8.290 nan 0.000 0.497 354 W N -1.824 119.137 121.300 -0.566 0.000 2.962 354 W HA 0.322 4.981 4.660 -0.001 0.000 0.227 354 W C 1.277 178.057 176.519 0.435 0.000 0.611 354 W CA 2.270 59.596 57.345 -0.033 0.000 0.492 354 W CB -1.507 27.811 29.460 -0.237 0.000 2.512 354 W HN 3.005 nan 8.180 nan 0.000 0.399 355 G N -1.148 107.924 108.800 0.454 0.000 3.233 355 G HA2 0.481 4.440 3.960 -0.001 0.000 0.686 355 G HA3 0.481 4.440 3.960 -0.001 0.000 0.686 355 G C 0.398 175.333 174.900 0.058 0.000 1.153 355 G CA 0.481 45.749 45.100 0.279 0.000 0.853 355 G HN 1.733 nan 8.290 nan 0.000 0.582 356 G N 0.794 109.563 108.800 -0.051 0.000 2.479 356 G HA2 0.211 4.170 3.960 -0.001 0.000 0.220 356 G HA3 0.211 4.170 3.960 -0.001 0.000 0.220 356 G C 2.013 176.844 174.900 -0.116 0.000 1.115 356 G CA 2.346 47.417 45.100 -0.047 0.000 0.757 356 G HN 2.043 nan 8.290 nan 0.000 0.560 357 A N 0.380 122.983 122.820 -0.362 0.000 2.070 357 A HA -0.108 4.211 4.320 -0.001 0.000 0.220 357 A C 2.602 179.921 177.584 -0.442 0.000 1.159 357 A CA 1.861 53.524 52.037 -0.625 0.000 0.656 357 A CB -0.960 17.050 19.000 -1.649 0.000 0.800 357 A HN 0.950 nan 8.150 nan 0.000 0.453 358 C N -0.194 119.048 119.300 -0.096 0.000 2.468 358 C HA 0.203 4.662 4.460 -0.001 0.000 0.277 358 C C 1.474 176.520 174.990 0.093 0.000 1.400 358 C CA 0.240 59.355 59.018 0.162 0.000 1.770 358 C CB -1.120 26.899 27.740 0.465 0.000 1.905 358 C HN 0.601 nan 8.230 nan 0.000 0.519 359 R N 1.054 121.591 120.500 0.062 0.000 3.050 359 R HA 0.739 5.078 4.340 -0.001 0.000 0.275 359 R C -0.511 175.806 176.300 0.028 0.000 1.373 359 R CA 0.263 56.411 56.100 0.079 0.000 1.612 359 R CB 0.233 30.596 30.300 0.105 0.000 1.218 359 R HN 0.452 nan 8.270 nan 0.000 0.621 360 A N 0.679 123.493 122.820 -0.010 0.000 2.602 360 A HA 0.377 4.696 4.320 -0.001 0.000 0.290 360 A C 0.634 178.163 177.584 -0.091 0.000 1.114 360 A CA -0.424 51.600 52.037 -0.022 0.000 0.683 360 A CB 1.225 20.291 19.000 0.111 0.000 1.281 360 A HN 0.446 nan 8.150 nan 0.000 0.416 361 S N 0.232 115.752 115.700 -0.299 0.000 2.440 361 S HA -0.198 4.271 4.470 -0.001 0.000 0.238 361 S C 1.103 175.561 174.600 -0.238 0.000 1.010 361 S CA 1.872 59.684 58.200 -0.647 0.000 0.972 361 S CB -0.597 61.628 63.200 -1.624 0.000 0.774 361 S HN 1.163 nan 8.310 nan 0.000 0.501 362 H N -0.390 118.522 119.070 -0.263 0.000 2.542 362 H HA 0.446 5.001 4.556 -0.001 0.000 0.283 362 H C 1.676 176.911 175.328 -0.155 0.000 1.059 362 H CA 0.057 55.955 56.048 -0.249 0.000 1.162 362 H CB -1.020 28.563 29.762 -0.299 0.000 1.539 362 H HN 0.344 nan 8.280 nan 0.000 0.543 363 G N 1.971 110.565 108.800 -0.343 0.000 2.505 363 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.220 363 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.220 363 G C 1.674 176.476 174.900 -0.164 0.000 1.145 363 G CA 1.284 46.230 45.100 -0.256 0.000 0.761 363 G HN 0.439 nan 8.290 nan 0.000 0.571 364 I N 0.377 120.896 120.570 -0.085 0.000 2.202 364 I HA -0.090 4.079 4.170 -0.001 0.000 0.242 364 I C 2.595 178.614 176.117 -0.163 0.000 1.091 364 I CA 1.034 62.293 61.300 -0.069 0.000 1.368 364 I CB -0.163 37.875 38.000 0.064 0.000 1.058 364 I HN 0.090 nan 8.210 nan 0.000 0.410 365 E N -0.166 119.974 120.200 -0.101 0.000 2.208 365 E HA -0.226 4.123 4.350 -0.001 0.000 0.193 365 E C 1.624 178.157 176.600 -0.112 0.000 0.988 365 E CA 0.806 57.219 56.400 0.021 0.000 0.828 365 E CB -0.385 29.414 29.700 0.165 0.000 0.763 365 E HN 0.599 nan 8.360 nan 0.000 0.478 366 W N 2.001 123.061 121.300 -0.400 0.000 2.379 366 W HA -0.059 4.601 4.660 -0.001 0.000 0.307 366 W C 2.354 178.481 176.519 -0.654 0.000 1.200 366 W CA 2.135 59.222 57.345 -0.431 0.000 1.297 366 W CB -0.533 28.625 29.460 -0.503 0.000 1.140 366 W HN 0.034 nan 8.180 nan 0.000 0.507 367 A N 0.958 123.164 122.820 -1.023 0.000 1.908 367 A HA -0.214 4.106 4.320 -0.001 0.000 0.218 367 A C 2.088 178.815 177.584 -1.428 0.000 1.181 367 A CA 2.008 52.993 52.037 -1.753 0.000 0.627 367 A CB -0.805 17.273 19.000 -1.538 0.000 0.818 367 A HN 0.415 nan 8.150 nan 0.000 0.445 368 R N -1.107 118.766 120.500 -1.045 0.000 2.148 368 R HA -0.055 4.284 4.340 -0.001 0.000 0.223 368 R C 2.333 177.870 176.300 -1.272 0.000 1.088 368 R CA 0.845 56.277 56.100 -1.114 0.000 0.985 368 R CB -0.461 29.232 30.300 -1.012 0.000 0.880 368 R HN 0.545 nan 8.270 nan 0.000 0.451 369 G N 0.863 109.005 108.800 -1.097 0.000 2.408 369 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.217 369 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.217 369 G C 1.419 175.911 174.900 -0.681 0.000 1.150 369 G CA 0.327 45.019 45.100 -0.680 0.000 0.776 369 G HN 0.053 nan 8.290 nan 0.000 0.542 370 M N 0.376 119.414 119.600 -0.936 0.000 2.132 370 M HA 0.141 4.621 4.480 -0.001 0.000 0.263 370 M C 2.607 178.615 176.300 -0.487 0.000 1.065 370 M CA 0.825 55.692 55.300 -0.722 0.000 1.122 370 M CB -0.940 31.118 32.600 -0.903 0.000 1.365 370 M HN 0.227 nan 8.290 nan 0.000 0.411 371 I N 0.148 120.293 120.570 -0.709 0.000 2.252 371 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 371 I C 2.649 178.493 176.117 -0.455 0.000 1.102 371 I CA 1.050 61.929 61.300 -0.701 0.000 1.385 371 I CB -0.675 36.649 38.000 -1.126 0.000 1.064 371 I HN 0.192 nan 8.210 nan 0.000 0.414 372 A N 1.022 123.521 122.820 -0.535 0.000 1.865 372 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 372 A C 2.184 179.781 177.584 0.022 0.000 1.191 372 A CA 1.602 53.461 52.037 -0.297 0.000 0.623 372 A CB -0.800 17.997 19.000 -0.338 0.000 0.826 372 A HN 0.272 nan 8.150 nan 0.000 0.444 373 L N -0.404 120.799 121.223 -0.034 0.000 1.994 373 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 373 L C 3.013 179.992 176.870 0.181 0.000 1.071 373 L CA 2.088 56.982 54.840 0.090 0.000 0.745 373 L CB -1.164 40.839 42.059 -0.094 0.000 0.892 373 L HN 0.406 nan 8.230 nan 0.000 0.431 374 A N -1.953 120.955 122.820 0.147 0.000 1.972 374 A HA -0.193 4.126 4.320 -0.001 0.000 0.219 374 A C 2.330 179.976 177.584 0.103 0.000 1.169 374 A CA 2.173 54.317 52.037 0.179 0.000 0.635 374 A CB -0.884 18.219 19.000 0.173 0.000 0.810 374 A HN 0.463 nan 8.150 nan 0.000 0.446 375 T N -0.078 114.554 114.554 0.130 0.000 2.737 375 T HA -0.101 4.248 4.350 -0.001 0.000 0.265 375 T C 1.913 176.697 174.700 0.140 0.000 1.038 375 T CA 1.647 63.885 62.100 0.229 0.000 1.144 375 T CB -0.294 68.772 68.868 0.331 0.000 0.866 375 T HN 0.449 nan 8.240 nan 0.000 0.434 376 M N 0.877 120.581 119.600 0.174 0.000 2.267 376 M HA -0.073 4.406 4.480 -0.001 0.000 0.263 376 M C 1.708 177.982 176.300 -0.043 0.000 1.063 376 M CA 1.194 56.576 55.300 0.137 0.000 1.090 376 M CB -0.141 32.624 32.600 0.275 0.000 1.392 376 M HN 0.076 nan 8.290 nan 0.000 0.422 377 Q N -0.168 119.531 119.800 -0.168 0.000 2.246 377 Q HA 0.197 4.536 4.340 -0.001 0.000 0.202 377 Q C 0.634 176.402 176.000 -0.386 0.000 0.883 377 Q CA 0.352 55.983 55.803 -0.286 0.000 0.952 377 Q CB 0.458 29.071 28.738 -0.209 0.000 1.078 377 Q HN 0.638 nan 8.270 nan 0.000 0.493 378 G N 2.845 111.209 108.800 -0.726 0.000 2.324 378 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.292 378 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.292 378 G C 0.296 174.706 174.900 -0.816 0.000 1.079 378 G CA 0.489 44.665 45.100 -1.539 0.000 1.026 378 G HN 0.460 nan 8.290 nan 0.000 0.506 379 M N -0.907 118.444 119.600 -0.414 0.000 2.248 379 M HA 0.440 4.919 4.480 -0.001 0.000 0.343 379 M C 1.435 177.781 176.300 0.078 0.000 1.243 379 M CA 1.443 56.713 55.300 -0.049 0.000 1.025 379 M CB 0.705 33.381 32.600 0.127 0.000 1.759 379 M HN 1.661 nan 8.290 nan 0.000 0.452 380 G N 2.552 111.389 108.800 0.061 0.000 2.307 380 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.210 380 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.210 380 G C -0.000 174.932 174.900 0.054 0.000 1.005 380 G CA 0.084 45.240 45.100 0.094 0.000 0.634 380 G HN 1.017 nan 8.290 nan 0.000 0.496 381 K N 1.186 121.587 120.400 0.003 0.000 2.138 381 K HA 0.577 4.896 4.320 -0.001 0.000 0.251 381 K C -2.826 173.731 176.600 -0.072 0.000 1.015 381 K CA -1.622 54.647 56.287 -0.030 0.000 0.917 381 K CB 0.780 33.245 32.500 -0.059 0.000 1.021 381 K HN 0.049 nan 8.250 nan 0.000 0.485 382 P HA -0.022 nan 4.420 nan 0.000 0.263 382 P C 0.356 177.506 177.300 -0.251 0.000 1.195 382 P CA 1.213 64.182 63.100 -0.218 0.000 0.762 382 P CB 0.457 31.888 31.700 -0.448 0.000 0.799 383 G N 1.773 110.526 108.800 -0.080 0.000 2.159 383 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.256 383 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.256 383 G C 0.207 174.797 174.900 -0.516 0.000 0.977 383 G CA 0.208 45.237 45.100 -0.119 0.000 0.652 383 G HN 0.791 nan 8.290 nan 0.000 0.531 384 S N -0.263 115.119 115.700 -0.531 0.000 2.668 384 S HA 0.690 5.159 4.470 -0.001 0.000 0.277 384 S C -0.832 173.576 174.600 -0.319 0.000 1.170 384 S CA -0.031 57.874 58.200 -0.491 0.000 0.994 384 S CB 1.321 64.362 63.200 -0.266 0.000 1.051 384 S HN 0.721 nan 8.310 nan 0.000 0.484 385 N N 2.390 120.942 118.700 -0.246 0.000 3.465 385 N HA 0.244 4.983 4.740 -0.001 0.000 0.244 385 N C -1.897 173.760 175.510 0.244 0.000 1.454 385 N CA -0.517 52.587 53.050 0.089 0.000 0.865 385 N CB 1.345 39.973 38.487 0.235 0.000 1.439 385 N HN 0.682 nan 8.380 nan 0.000 0.480 386 M N 1.599 121.350 119.600 0.252 0.000 2.080 386 M HA 0.411 4.890 4.480 -0.001 0.000 0.350 386 M C -1.656 174.821 176.300 0.296 0.000 1.173 386 M CA -0.461 54.981 55.300 0.238 0.000 1.052 386 M CB 0.553 33.261 32.600 0.181 0.000 1.577 386 M HN 0.517 nan 8.290 nan 0.000 0.455 387 W N 3.389 124.717 121.300 0.047 0.000 3.439 387 W HA 0.395 5.054 4.660 -0.001 0.000 0.323 387 W C -1.195 175.237 176.519 -0.144 0.000 1.174 387 W CA -0.595 56.712 57.345 -0.063 0.000 1.224 387 W CB 1.631 31.033 29.460 -0.098 0.000 1.348 387 W HN 0.512 nan 8.180 nan 0.000 0.498 388 S N 2.385 117.810 115.700 -0.458 0.000 2.568 388 S HA 0.061 4.530 4.470 -0.001 0.000 0.232 388 S C 1.353 175.487 174.600 -0.777 0.000 0.975 388 S CA 0.719 58.605 58.200 -0.522 0.000 0.949 388 S CB 0.039 63.105 63.200 -0.223 0.000 0.829 388 S HN 1.034 nan 8.310 nan 0.000 0.479 389 T N -0.956 112.556 114.554 -1.737 0.000 7.578 389 T HA -0.308 4.041 4.350 -0.001 0.000 0.299 389 T C 1.224 175.590 174.700 -0.557 0.000 2.097 389 T CA 2.193 63.326 62.100 -1.611 0.000 3.248 389 T CB -2.637 65.625 68.868 -1.011 0.000 2.014 389 T HN 0.579 nan 8.240 nan 0.000 1.198 390 T N -2.117 112.218 114.554 -0.366 0.000 3.035 390 T HA 0.337 4.686 4.350 -0.001 0.000 0.259 390 T C 0.970 175.630 174.700 -0.066 0.000 1.078 390 T CA 0.537 62.539 62.100 -0.164 0.000 1.132 390 T CB 0.163 68.938 68.868 -0.155 0.000 0.900 390 T HN 0.821 nan 8.240 nan 0.000 0.480 391 Q N -0.176 119.624 119.800 0.001 0.000 2.699 391 Q HA 0.565 4.905 4.340 -0.001 0.000 0.240 391 Q C 0.804 176.923 176.000 0.198 0.000 1.033 391 Q CA -0.534 55.282 55.803 0.023 0.000 0.938 391 Q CB 1.128 29.801 28.738 -0.108 0.000 1.312 391 Q HN 0.373 nan 8.270 nan 0.000 0.507 392 G N -0.567 108.257 108.800 0.040 0.000 2.176 392 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.253 392 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.253 392 G C -0.031 174.853 174.900 -0.028 0.000 0.979 392 G CA 0.052 45.151 45.100 -0.000 0.000 0.641 392 G HN 0.325 nan 8.290 nan 0.000 0.530 393 V N 1.604 121.499 119.914 -0.031 0.000 2.529 393 V HA 0.240 4.359 4.120 -0.001 0.000 0.292 393 V C -0.690 175.234 176.094 -0.284 0.000 1.028 393 V CA -0.224 61.940 62.300 -0.226 0.000 1.074 393 V CB 1.160 32.908 31.823 -0.125 0.000 0.958 393 V HN 0.137 nan 8.190 nan 0.000 0.481 394 P HA 0.030 nan 4.420 nan 0.000 0.311 394 P C 0.100 177.108 177.300 -0.488 0.000 1.543 394 P CA 0.347 63.138 63.100 -0.516 0.000 0.766 394 P CB -0.278 31.102 31.700 -0.534 0.000 1.711 395 L N -0.512 120.476 121.223 -0.392 0.000 2.476 395 L HA 0.117 4.456 4.340 -0.001 0.000 0.264 395 L C 1.131 177.806 176.870 -0.324 0.000 1.224 395 L CA -0.299 54.442 54.840 -0.166 0.000 0.821 395 L CB 0.063 42.213 42.059 0.151 0.000 1.101 395 L HN -0.085 nan 8.230 nan 0.000 0.488 396 D N 0.066 120.423 120.400 -0.072 0.000 2.441 396 D HA 0.001 4.641 4.640 -0.001 0.000 0.243 396 D C 0.836 177.273 176.300 0.228 0.000 1.257 396 D CA 0.317 54.326 54.000 0.015 0.000 1.027 396 D CB -0.013 40.847 40.800 0.099 0.000 1.084 396 D HN 0.289 nan 8.370 nan 0.000 0.514 397 Y N 1.217 121.731 120.300 0.356 0.000 2.483 397 Y HA -0.123 4.427 4.550 -0.001 0.000 0.291 397 Y C 1.968 178.095 175.900 0.378 0.000 1.143 397 Y CA 0.328 58.699 58.100 0.451 0.000 1.289 397 Y CB 0.166 38.846 38.460 0.367 0.000 0.983 397 Y HN 0.395 nan 8.280 nan 0.000 0.556 398 E N -0.119 120.334 120.200 0.420 0.000 2.299 398 E HA -0.092 4.258 4.350 -0.001 0.000 0.193 398 E C 0.021 176.843 176.600 0.370 0.000 0.998 398 E CA -0.090 56.511 56.400 0.335 0.000 0.851 398 E CB 0.048 29.897 29.700 0.248 0.000 0.795 398 E HN 0.222 nan 8.360 nan 0.000 0.492 399 F N 1.174 121.281 119.950 0.261 0.000 2.456 399 F HA 0.145 4.671 4.527 -0.001 0.000 0.358 399 F C -0.510 175.481 175.800 0.317 0.000 1.095 399 F CA -0.796 57.360 58.000 0.259 0.000 1.216 399 F CB 0.408 39.518 39.000 0.184 0.000 1.125 399 F HN -0.160 nan 8.300 nan 0.000 0.549 400 Y N 7.977 127.959 120.300 -0.531 0.000 2.331 400 Y HA 0.497 5.046 4.550 -0.001 0.000 0.338 400 Y C -1.934 173.734 175.900 -0.388 0.000 0.976 400 Y CA -1.570 56.355 58.100 -0.291 0.000 1.137 400 Y CB 0.724 39.106 38.460 -0.129 0.000 1.172 400 Y HN 0.555 nan 8.280 nan 0.000 0.478 401 F N 8.745 128.134 119.950 -0.935 0.000 2.607 401 F HA 0.562 5.088 4.527 -0.001 0.000 0.322 401 F C -2.777 172.640 175.800 -0.638 0.000 1.176 401 F CA -2.633 54.917 58.000 -0.750 0.000 0.977 401 F CB 1.760 40.644 39.000 -0.194 0.000 1.242 401 F HN 0.391 nan 8.300 nan 0.000 0.465 402 P HA 0.217 nan 4.420 nan 0.000 0.265 402 P C -0.185 176.928 177.300 -0.312 0.000 1.193 402 P CA 0.126 62.802 63.100 -0.706 0.000 0.765 402 P CB 0.713 31.725 31.700 -1.147 0.000 0.823 403 G N 1.681 110.384 108.800 -0.161 0.000 2.477 403 G HA2 0.262 4.221 3.960 -0.001 0.000 0.304 403 G HA3 0.262 4.221 3.960 -0.001 0.000 0.304 403 G C 0.301 174.997 174.900 -0.340 0.000 1.175 403 G CA -0.525 44.464 45.100 -0.186 0.000 0.907 403 G HN 0.552 nan 8.290 nan 0.000 0.509 404 Y N -0.825 119.239 120.300 -0.393 0.000 2.315 404 Y HA 0.021 4.570 4.550 -0.001 0.000 0.288 404 Y C 2.441 178.043 175.900 -0.498 0.000 1.154 404 Y CA 0.983 58.739 58.100 -0.573 0.000 1.229 404 Y CB -0.869 36.864 38.460 -1.211 0.000 0.980 404 Y HN 0.365 nan 8.280 nan 0.000 0.540 405 A N 0.985 123.430 122.820 -0.625 0.000 2.125 405 A HA -0.146 4.173 4.320 -0.001 0.000 0.219 405 A C 1.842 179.327 177.584 -0.164 0.000 1.156 405 A CA 1.261 53.010 52.037 -0.479 0.000 0.671 405 A CB -0.757 18.003 19.000 -0.401 0.000 0.794 405 A HN 0.656 nan 8.150 nan 0.000 0.459 406 E N -1.186 118.950 120.200 -0.107 0.000 2.485 406 E HA 0.220 4.569 4.350 -0.001 0.000 0.194 406 E C 1.292 177.965 176.600 0.122 0.000 1.098 406 E CA 0.249 56.676 56.400 0.045 0.000 0.878 406 E CB -0.261 29.465 29.700 0.043 0.000 0.939 406 E HN 0.731 nan 8.360 nan 0.000 0.503 407 G N 0.371 109.258 108.800 0.144 0.000 2.253 407 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.251 407 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.251 407 G C 0.918 175.991 174.900 0.289 0.000 0.998 407 G CA -0.000 45.261 45.100 0.269 0.000 0.621 407 G HN 0.710 nan 8.290 nan 0.000 0.524 408 G N 0.800 109.750 108.800 0.250 0.000 2.660 408 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.321 408 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.321 408 G C 1.380 176.545 174.900 0.440 0.000 1.246 408 G CA 2.481 47.827 45.100 0.409 0.000 1.000 408 G HN 1.982 nan 8.290 nan 0.000 0.550 409 I N 0.062 120.732 120.570 0.165 0.000 3.684 409 I HA 0.304 4.473 4.170 -0.001 0.000 0.304 409 I C 2.292 178.472 176.117 0.105 0.000 1.278 409 I CA 1.570 62.826 61.300 -0.074 0.000 1.272 409 I CB 0.067 37.547 38.000 -0.867 0.000 1.029 409 I HN 0.496 nan 8.210 nan 0.000 0.458 410 S N 1.206 117.015 115.700 0.182 0.000 2.404 410 S HA 0.181 4.650 4.470 -0.001 0.000 0.223 410 S C 1.911 176.543 174.600 0.053 0.000 1.040 410 S CA 0.634 58.912 58.200 0.130 0.000 0.957 410 S CB -0.678 62.634 63.200 0.187 0.000 0.826 410 S HN 0.759 nan 8.310 nan 0.000 0.491 411 G N 1.880 110.774 108.800 0.156 0.000 2.179 411 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.257 411 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.257 411 G C -0.206 174.616 174.900 -0.131 0.000 1.010 411 G CA 0.356 45.440 45.100 -0.027 0.000 0.736 411 G HN 0.667 nan 8.290 nan 0.000 0.513 412 D N -0.019 120.357 120.400 -0.041 0.000 2.367 412 D HA 0.225 4.864 4.640 -0.001 0.000 0.255 412 D C 1.578 177.833 176.300 -0.074 0.000 1.300 412 D CA -0.019 53.921 54.000 -0.099 0.000 0.959 412 D CB -0.114 40.599 40.800 -0.145 0.000 1.064 412 D HN 0.196 nan 8.370 nan 0.000 0.509 413 C N 2.896 122.135 119.300 -0.102 0.000 2.449 413 C HA -0.049 4.410 4.460 -0.001 0.000 0.283 413 C C 2.115 177.095 174.990 -0.017 0.000 1.453 413 C CA 0.267 59.248 59.018 -0.062 0.000 1.779 413 C CB -0.790 26.908 27.740 -0.070 0.000 1.779 413 C HN 0.728 nan 8.230 nan 0.000 0.546 414 E N 0.196 120.363 120.200 -0.055 0.000 2.372 414 E HA 0.037 4.386 4.350 -0.001 0.000 0.201 414 E C 1.307 177.879 176.600 -0.046 0.000 0.938 414 E CA 0.329 56.706 56.400 -0.039 0.000 0.944 414 E CB 0.088 29.744 29.700 -0.075 0.000 0.937 414 E HN 0.519 nan 8.360 nan 0.000 0.495 415 N N 0.649 119.271 118.700 -0.129 0.000 2.214 415 N HA 0.064 4.803 4.740 -0.001 0.000 0.214 415 N C -0.556 175.044 175.510 0.151 0.000 1.132 415 N CA 0.469 53.437 53.050 -0.136 0.000 0.856 415 N CB 1.443 39.532 38.487 -0.664 0.000 1.020 415 N HN 0.113 nan 8.380 nan 0.000 0.509 416 S N -1.531 114.269 115.700 0.166 0.000 2.656 416 S HA 0.611 5.080 4.470 -0.001 0.000 0.273 416 S C -0.369 174.312 174.600 0.136 0.000 1.168 416 S CA -0.723 57.638 58.200 0.268 0.000 0.817 416 S CB 1.590 64.987 63.200 0.329 0.000 1.146 416 S HN -0.044 nan 8.310 nan 0.000 0.475 417 A N 0.186 123.076 122.820 0.116 0.000 2.411 417 A HA 0.687 5.006 4.320 -0.001 0.000 0.251 417 A C 1.745 179.447 177.584 0.197 0.000 1.317 417 A CA 0.389 52.517 52.037 0.152 0.000 0.904 417 A CB -1.365 17.758 19.000 0.205 0.000 0.993 417 A HN 1.435 nan 8.150 nan 0.000 0.504 418 A N -0.178 122.722 122.820 0.133 0.000 1.978 418 A HA 0.033 4.352 4.320 -0.001 0.000 0.220 418 A C 2.214 179.729 177.584 -0.114 0.000 1.170 418 A CA 1.768 53.853 52.037 0.081 0.000 0.636 418 A CB -0.894 18.138 19.000 0.054 0.000 0.810 418 A HN 0.774 nan 8.150 nan 0.000 0.448 419 G N -1.663 107.099 108.800 -0.063 0.000 2.470 419 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.220 419 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.220 419 G C 1.334 176.328 174.900 0.157 0.000 1.121 419 G CA 0.983 46.057 45.100 -0.044 0.000 0.766 419 G HN 0.491 nan 8.290 nan 0.000 0.553 420 F N 0.430 120.354 119.950 -0.043 0.000 2.102 420 F HA 0.111 4.637 4.527 -0.001 0.000 0.298 420 F C 2.274 177.996 175.800 -0.129 0.000 1.105 420 F CA 2.194 60.075 58.000 -0.198 0.000 1.239 420 F CB 0.255 38.863 39.000 -0.653 0.000 0.991 420 F HN 0.156 nan 8.300 nan 0.000 0.474 421 K N -3.253 117.120 120.400 -0.044 0.000 2.948 421 K HA -0.045 4.274 4.320 -0.001 0.000 0.182 421 K C 1.767 178.341 176.600 -0.042 0.000 1.750 421 K CA 0.129 56.364 56.287 -0.087 0.000 1.390 421 K CB -0.846 31.461 32.500 -0.321 0.000 1.986 421 K HN 0.087 nan 8.250 nan 0.000 0.628 422 F N 2.740 122.642 119.950 -0.079 0.000 2.095 422 F HA -0.071 4.455 4.527 -0.001 0.000 0.298 422 F C 2.001 177.677 175.800 -0.207 0.000 1.104 422 F CA 2.060 60.012 58.000 -0.080 0.000 1.232 422 F CB -0.444 38.541 39.000 -0.025 0.000 0.987 422 F HN 0.172 nan 8.300 nan 0.000 0.475 423 A N -0.274 122.293 122.820 -0.423 0.000 1.917 423 A HA -0.268 4.051 4.320 -0.001 0.000 0.219 423 A C 2.145 179.418 177.584 -0.519 0.000 1.182 423 A CA 1.957 53.676 52.037 -0.530 0.000 0.633 423 A CB -1.827 16.647 19.000 -0.877 0.000 0.819 423 A HN 0.671 nan 8.150 nan 0.000 0.448 424 W N -0.777 120.450 121.300 -0.122 0.000 2.425 424 W HA -0.029 4.631 4.660 -0.001 0.000 0.277 424 W C 2.517 178.908 176.519 -0.214 0.000 1.231 424 W CA 0.756 58.009 57.345 -0.152 0.000 1.248 424 W CB -0.091 29.259 29.460 -0.184 0.000 1.117 424 W HN 0.229 nan 8.180 nan 0.000 0.568 425 R N -0.758 119.628 120.500 -0.190 0.000 2.105 425 R HA 0.030 4.369 4.340 -0.001 0.000 0.214 425 R C 2.088 178.100 176.300 -0.480 0.000 1.091 425 R CA 0.983 56.913 56.100 -0.282 0.000 1.007 425 R CB -0.523 29.621 30.300 -0.260 0.000 0.912 425 R HN 0.103 nan 8.270 nan 0.000 0.450 426 M N 0.057 119.145 119.600 -0.852 0.000 2.200 426 M HA 0.034 4.513 4.480 -0.001 0.000 0.265 426 M C -0.388 175.324 176.300 -0.981 0.000 1.066 426 M CA 1.608 56.253 55.300 -1.092 0.000 1.127 426 M CB 0.338 31.938 32.600 -1.668 0.000 1.379 426 M HN -0.169 nan 8.290 nan 0.000 0.420 427 F N -0.062 119.699 119.950 -0.315 0.000 2.507 427 F HA 0.320 4.847 4.527 -0.001 0.000 0.327 427 F C 0.685 176.363 175.800 -0.203 0.000 1.068 427 F CA -1.018 56.837 58.000 -0.241 0.000 0.965 427 F CB 0.984 39.852 39.000 -0.222 0.000 1.192 427 F HN 0.124 nan 8.300 nan 0.000 0.476 428 D N -0.907 119.446 120.400 -0.077 0.000 2.469 428 D HA 0.175 4.814 4.640 -0.001 0.000 0.213 428 D C 1.414 177.647 176.300 -0.112 0.000 1.135 428 D CA 0.247 54.189 54.000 -0.098 0.000 0.834 428 D CB 0.289 41.012 40.800 -0.129 0.000 1.009 428 D HN 0.795 nan 8.370 nan 0.000 0.507 429 G N 0.860 109.544 108.800 -0.193 0.000 2.203 429 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.263 429 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.263 429 G C 0.821 175.697 174.900 -0.039 0.000 1.012 429 G CA 1.123 46.172 45.100 -0.086 0.000 0.749 429 G HN 0.500 nan 8.290 nan 0.000 0.512 430 K N -2.459 117.787 120.400 -0.257 0.000 2.735 430 K HA 0.131 4.450 4.320 -0.001 0.000 0.197 430 K C 2.262 178.850 176.600 -0.020 0.000 1.468 430 K CA 0.887 57.156 56.287 -0.030 0.000 1.109 430 K CB 0.210 32.690 32.500 -0.033 0.000 1.732 430 K HN 0.383 nan 8.250 nan 0.000 0.541 431 T N -2.006 112.408 114.554 -0.233 0.000 2.959 431 T HA 0.101 4.450 4.350 -0.001 0.000 0.254 431 T C 0.517 175.135 174.700 -0.136 0.000 1.003 431 T CA 0.057 62.104 62.100 -0.088 0.000 0.950 431 T CB 0.785 69.607 68.868 -0.077 0.000 1.090 431 T HN 0.016 nan 8.240 nan 0.000 0.503 432 T N 0.943 115.222 114.554 -0.459 0.000 2.916 432 T HA 0.663 5.013 4.350 -0.001 0.000 0.298 432 T C -2.099 172.415 174.700 -0.310 0.000 1.031 432 T CA -0.724 61.290 62.100 -0.142 0.000 0.993 432 T CB 0.905 69.761 68.868 -0.021 0.000 1.045 432 T HN 0.149 nan 8.240 nan 0.000 0.454 433 F N 3.796 123.971 119.950 0.375 0.000 2.588 433 F HA 0.658 5.184 4.527 -0.001 0.000 0.314 433 F C -2.280 173.398 175.800 -0.204 0.000 1.069 433 F CA -2.389 55.675 58.000 0.106 0.000 0.931 433 F CB 1.453 40.468 39.000 0.025 0.000 1.260 433 F HN 0.343 nan 8.300 nan 0.000 0.465 434 P HA 0.209 nan 4.420 nan 0.000 0.277 434 P C -0.913 176.251 177.300 -0.227 0.000 1.271 434 P CA -0.604 62.028 63.100 -0.780 0.000 0.795 434 P CB 0.953 32.109 31.700 -0.907 0.000 1.101 435 S N 0.962 116.566 115.700 -0.160 0.000 2.406 435 S HA 0.418 4.887 4.470 -0.001 0.000 0.224 435 S C -2.562 171.974 174.600 -0.106 0.000 1.426 435 S CA -1.776 56.380 58.200 -0.073 0.000 1.179 435 S CB -0.230 62.967 63.200 -0.005 0.000 1.042 435 S HN 0.200 nan 8.310 nan 0.000 0.479 436 P HA 0.303 nan 4.420 nan 0.000 0.278 436 P C -0.787 176.448 177.300 -0.109 0.000 1.258 436 P CA -0.521 62.506 63.100 -0.121 0.000 0.811 436 P CB 1.351 32.989 31.700 -0.102 0.000 1.063 437 S N 0.877 116.498 115.700 -0.132 0.000 2.519 437 S HA 0.275 4.744 4.470 -0.001 0.000 0.309 437 S C 0.783 175.319 174.600 -0.108 0.000 1.100 437 S CA -0.729 57.399 58.200 -0.120 0.000 1.059 437 S CB -0.138 62.958 63.200 -0.174 0.000 1.008 437 S HN 0.480 nan 8.310 nan 0.000 0.478 438 N N 5.559 124.218 118.700 -0.068 0.000 2.270 438 N HA 0.128 4.867 4.740 -0.001 0.000 0.198 438 N C 0.740 176.227 175.510 -0.038 0.000 1.117 438 N CA 0.079 53.107 53.050 -0.036 0.000 0.845 438 N CB -0.065 38.422 38.487 0.001 0.000 0.980 438 N HN 0.586 nan 8.380 nan 0.000 0.486 439 L N -0.863 120.289 121.223 -0.117 0.000 2.515 439 L HA 0.209 4.548 4.340 -0.001 0.000 0.202 439 L C 0.436 177.139 176.870 -0.277 0.000 1.056 439 L CA 0.010 54.729 54.840 -0.202 0.000 0.847 439 L CB -0.167 41.746 42.059 -0.242 0.000 1.131 439 L HN 0.024 nan 8.230 nan 0.000 0.484 440 N N 1.420 119.911 118.700 -0.349 0.000 3.050 440 N HA 0.037 4.777 4.740 -0.001 0.000 0.289 440 N C -0.618 174.757 175.510 -0.226 0.000 1.209 440 N CA 0.438 53.280 53.050 -0.346 0.000 1.154 440 N CB -0.059 38.117 38.487 -0.518 0.000 1.444 440 N HN 0.074 nan 8.380 nan 0.000 0.529 441 T N -0.884 113.586 114.554 -0.140 0.000 2.821 441 T HA 0.254 4.603 4.350 -0.001 0.000 0.306 441 T C 0.917 175.614 174.700 -0.004 0.000 1.313 441 T CA -0.498 61.551 62.100 -0.085 0.000 1.012 441 T CB 0.859 69.688 68.868 -0.065 0.000 1.298 441 T HN 0.121 nan 8.240 nan 0.000 0.502 442 S N 1.287 117.002 115.700 0.025 0.000 2.374 442 S HA -0.098 4.371 4.470 -0.001 0.000 0.227 442 S C 2.125 176.844 174.600 0.198 0.000 1.037 442 S CA 1.689 59.993 58.200 0.173 0.000 1.024 442 S CB -0.511 62.724 63.200 0.059 0.000 0.861 442 S HN 0.833 nan 8.310 nan 0.000 0.456 443 A N 0.800 123.681 122.820 0.101 0.000 2.206 443 A HA 0.396 4.716 4.320 -0.001 0.000 0.211 443 A C 1.394 179.093 177.584 0.192 0.000 1.158 443 A CA 0.940 53.053 52.037 0.127 0.000 0.761 443 A CB -0.560 18.491 19.000 0.084 0.000 0.801 443 A HN 0.493 nan 8.150 nan 0.000 0.473 444 G N -1.032 107.836 108.800 0.114 0.000 3.182 444 G HA2 0.462 4.421 3.960 -0.001 0.000 0.167 444 G HA3 0.462 4.421 3.960 -0.001 0.000 0.167 444 G C -0.214 174.552 174.900 -0.224 0.000 1.537 444 G CA 0.003 45.075 45.100 -0.047 0.000 1.046 444 G HN 0.411 nan 8.290 nan 0.000 0.580 445 Q N -0.440 119.098 119.800 -0.438 0.000 2.289 445 Q HA 0.435 4.774 4.340 -0.001 0.000 0.270 445 Q C -1.517 174.444 176.000 -0.065 0.000 1.038 445 Q CA -0.909 54.750 55.803 -0.239 0.000 0.812 445 Q CB 1.727 30.199 28.738 -0.442 0.000 1.300 445 Q HN 0.918 nan 8.270 nan 0.000 0.427 446 H N 3.026 122.108 119.070 0.019 0.000 2.990 446 H HA 0.722 5.277 4.556 -0.001 0.000 0.343 446 H C -1.253 174.118 175.328 0.072 0.000 1.270 446 H CA -0.866 55.172 56.048 -0.017 0.000 1.118 446 H CB 1.421 31.163 29.762 -0.033 0.000 1.861 446 H HN 0.729 nan 8.280 nan 0.000 0.544 447 I N -2.285 118.107 120.570 -0.297 0.000 2.969 447 I HA 0.570 4.739 4.170 -0.001 0.000 0.307 447 I C -3.238 172.542 176.117 -0.562 0.000 1.149 447 I CA -2.896 58.026 61.300 -0.631 0.000 1.008 447 I CB 2.930 40.528 38.000 -0.670 0.000 1.232 447 I HN 0.180 nan 8.210 nan 0.000 0.435 448 P HA 0.238 nan 4.420 nan 0.000 0.276 448 P C 0.094 177.175 177.300 -0.365 0.000 1.235 448 P CA -0.345 62.438 63.100 -0.527 0.000 0.772 448 P CB 1.070 32.393 31.700 -0.629 0.000 0.871 449 R N 3.674 124.060 120.500 -0.190 0.000 2.091 449 R HA -0.122 4.217 4.340 -0.001 0.000 0.238 449 R C 1.539 177.744 176.300 -0.158 0.000 1.136 449 R CA 1.566 57.577 56.100 -0.147 0.000 0.959 449 R CB -0.689 29.580 30.300 -0.052 0.000 0.856 449 R HN 0.432 nan 8.270 nan 0.000 0.437 450 L N 0.371 121.522 121.223 -0.121 0.000 2.353 450 L HA -0.093 4.246 4.340 -0.001 0.000 0.220 450 L C 1.128 177.827 176.870 -0.284 0.000 1.133 450 L CA 0.990 55.772 54.840 -0.096 0.000 0.798 450 L CB -0.025 42.040 42.059 0.009 0.000 0.922 450 L HN 0.077 nan 8.230 nan 0.000 0.445 451 K N -0.364 119.761 120.400 -0.459 0.000 2.646 451 K HA 0.306 4.625 4.320 -0.001 0.000 0.206 451 K C 1.306 177.461 176.600 -0.741 0.000 1.069 451 K CA -0.036 55.807 56.287 -0.740 0.000 1.067 451 K CB 0.712 32.508 32.500 -1.174 0.000 0.807 451 K HN 0.206 nan 8.250 nan 0.000 0.482 452 I N 1.574 121.781 120.570 -0.605 0.000 2.179 452 I HA -0.201 3.968 4.170 -0.001 0.000 0.242 452 I C -0.845 174.898 176.117 -0.623 0.000 1.088 452 I CA 1.329 62.281 61.300 -0.580 0.000 1.357 452 I CB -1.076 36.691 38.000 -0.387 0.000 1.051 452 I HN 0.040 nan 8.210 nan 0.000 0.409 453 P HA -0.171 nan 4.420 nan 0.000 0.215 453 P C 1.252 178.257 177.300 -0.491 0.000 1.153 453 P CA 1.421 64.137 63.100 -0.639 0.000 0.853 453 P CB 0.040 31.282 31.700 -0.763 0.000 0.788 454 E N -1.302 118.589 120.200 -0.515 0.000 2.106 454 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 454 E C 2.072 178.496 176.600 -0.294 0.000 0.984 454 E CA 0.966 57.134 56.400 -0.387 0.000 0.806 454 E CB -1.354 28.059 29.700 -0.478 0.000 0.750 454 E HN 0.232 nan 8.360 nan 0.000 0.458 455 C N 0.144 119.200 119.300 -0.407 0.000 2.446 455 C HA -0.010 4.449 4.460 -0.001 0.000 0.277 455 C C 2.508 177.381 174.990 -0.194 0.000 1.275 455 C CA 0.265 59.102 59.018 -0.303 0.000 1.727 455 C CB -0.768 26.489 27.740 -0.805 0.000 2.010 455 C HN 0.377 nan 8.230 nan 0.000 0.486 456 I N 0.390 120.755 120.570 -0.340 0.000 2.193 456 I HA -0.204 3.965 4.170 -0.001 0.000 0.240 456 I C 2.507 178.346 176.117 -0.465 0.000 1.084 456 I CA 1.672 62.785 61.300 -0.312 0.000 1.365 456 I CB -0.376 37.424 38.000 -0.334 0.000 1.064 456 I HN 0.303 nan 8.210 nan 0.000 0.410 457 M N -0.019 119.277 119.600 -0.507 0.000 2.288 457 M HA 0.006 4.485 4.480 -0.001 0.000 0.266 457 M C 2.118 178.198 176.300 -0.365 0.000 1.072 457 M CA 1.552 56.444 55.300 -0.680 0.000 1.132 457 M CB -0.446 31.957 32.600 -0.329 0.000 1.386 457 M HN 0.307 nan 8.290 nan 0.000 0.432 458 G N -0.981 107.709 108.800 -0.183 0.000 2.662 458 G HA2 0.266 4.225 3.960 -0.001 0.000 0.212 458 G HA3 0.266 4.225 3.960 -0.001 0.000 0.212 458 G C 1.206 176.123 174.900 0.028 0.000 1.141 458 G CA 0.555 45.633 45.100 -0.036 0.000 0.797 458 G HN 0.574 nan 8.290 nan 0.000 0.531 459 G N -0.626 108.206 108.800 0.054 0.000 2.168 459 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.263 459 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.263 459 G C 0.164 175.151 174.900 0.146 0.000 0.977 459 G CA 1.021 46.196 45.100 0.125 0.000 0.659 459 G HN 0.839 nan 8.290 nan 0.000 0.533 460 K N -1.533 119.022 120.400 0.259 0.000 2.587 460 K HA 0.714 5.033 4.320 -0.001 0.000 0.276 460 K C -1.996 174.907 176.600 0.505 0.000 0.956 460 K CA -0.987 55.475 56.287 0.292 0.000 0.857 460 K CB 1.463 34.043 32.500 0.132 0.000 1.431 460 K HN 0.392 nan 8.250 nan 0.000 0.420 461 F N 1.050 121.202 119.950 0.337 0.000 2.769 461 F HA 0.335 4.861 4.527 -0.001 0.000 0.313 461 F C -1.868 174.222 175.800 0.484 0.000 1.146 461 F CA -0.466 57.758 58.000 0.373 0.000 0.934 461 F CB 1.980 41.187 39.000 0.345 0.000 1.283 461 F HN 0.407 nan 8.300 nan 0.000 0.443 462 Q N 3.390 123.072 119.800 -0.197 0.000 2.289 462 Q HA 0.493 4.832 4.340 -0.001 0.000 0.270 462 Q C -1.903 174.119 176.000 0.037 0.000 1.038 462 Q CA -0.392 55.373 55.803 -0.063 0.000 0.812 462 Q CB 2.766 31.430 28.738 -0.124 0.000 1.300 462 Q HN 0.781 nan 8.270 nan 0.000 0.427 463 W N 1.149 122.514 121.300 0.109 0.000 2.962 463 W HA 0.748 5.408 4.660 -0.001 0.000 0.405 463 W C -1.454 175.278 176.519 0.354 0.000 1.121 463 W CA -0.791 56.690 57.345 0.227 0.000 1.164 463 W CB 0.413 30.113 29.460 0.399 0.000 1.489 463 W HN 0.325 nan 8.180 nan 0.000 0.599 464 S N 1.055 117.105 115.700 0.584 0.000 2.472 464 S HA 0.729 5.198 4.470 -0.001 0.000 0.303 464 S C 0.042 175.138 174.600 0.825 0.000 1.099 464 S CA 0.127 58.661 58.200 0.557 0.000 1.077 464 S CB 0.875 64.368 63.200 0.488 0.000 1.031 464 S HN 1.607 nan 8.310 nan 0.000 0.487 465 G N 2.048 111.351 108.800 0.840 0.000 2.785 465 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.685 465 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.685 465 G C -0.783 174.437 174.900 0.533 0.000 1.480 465 G CA -0.628 44.934 45.100 0.769 0.000 0.915 465 G HN 0.754 nan 8.290 nan 0.000 0.576 466 K N 1.487 121.984 120.400 0.162 0.000 2.449 466 K HA 0.572 4.891 4.320 -0.001 0.000 0.257 466 K C 1.344 177.902 176.600 -0.071 0.000 0.989 466 K CA 0.547 56.689 56.287 -0.241 0.000 0.916 466 K CB 0.427 32.501 32.500 -0.710 0.000 1.136 466 K HN 2.417 nan 8.250 nan 0.000 0.439 467 G N 3.443 112.263 108.800 0.034 0.000 2.651 467 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.315 467 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.315 467 G C -0.522 174.538 174.900 0.265 0.000 1.258 467 G CA 0.102 45.273 45.100 0.118 0.000 1.002 467 G HN 0.535 nan 8.290 nan 0.000 0.551 468 F N 2.565 122.478 119.950 -0.061 0.000 2.439 468 F HA 0.589 5.115 4.527 -0.001 0.000 0.356 468 F C 1.230 176.966 175.800 -0.106 0.000 1.161 468 F CA -0.926 56.936 58.000 -0.229 0.000 1.151 468 F CB 0.589 39.374 39.000 -0.357 0.000 1.222 468 F HN 0.715 nan 8.300 nan 0.000 0.558 469 A N 2.673 125.598 122.820 0.175 0.000 3.118 469 A HA 0.463 4.782 4.320 -0.001 0.000 0.256 469 A C 1.598 179.180 177.584 -0.003 0.000 1.667 469 A CA 0.182 52.298 52.037 0.132 0.000 1.338 469 A CB -0.980 18.080 19.000 0.101 0.000 1.127 469 A HN 0.818 nan 8.150 nan 0.000 0.634 470 G N -0.310 108.503 108.800 0.021 0.000 2.985 470 G HA2 0.224 4.183 3.960 -0.001 0.000 0.209 470 G HA3 0.224 4.183 3.960 -0.001 0.000 0.209 470 G C 1.145 176.159 174.900 0.190 0.000 1.165 470 G CA 0.756 45.870 45.100 0.023 0.000 0.776 470 G HN 0.660 nan 8.290 nan 0.000 0.541 471 G N -0.041 108.909 108.800 0.250 0.000 2.480 471 G HA2 0.047 4.006 3.960 -0.001 0.000 0.216 471 G HA3 0.047 4.006 3.960 -0.001 0.000 0.216 471 G C 0.378 175.160 174.900 -0.197 0.000 1.200 471 G CA 1.184 46.415 45.100 0.217 0.000 0.782 471 G HN 0.487 nan 8.290 nan 0.000 0.554 472 D N -3.075 116.886 120.400 -0.732 0.000 2.599 472 D HA 0.303 4.942 4.640 -0.001 0.000 0.252 472 D C 1.376 177.428 176.300 -0.412 0.000 1.232 472 D CA -0.779 52.894 54.000 -0.546 0.000 0.819 472 D CB 0.603 41.024 40.800 -0.632 0.000 1.401 472 D HN -0.064 nan 8.370 nan 0.000 0.429 473 I N 0.273 120.697 120.570 -0.244 0.000 2.185 473 I HA -0.262 3.907 4.170 -0.001 0.000 0.246 473 I C 1.564 177.581 176.117 -0.166 0.000 1.088 473 I CA 1.267 62.430 61.300 -0.228 0.000 1.347 473 I CB -0.223 37.704 38.000 -0.121 0.000 1.041 473 I HN 0.225 nan 8.210 nan 0.000 0.415 474 S N -1.401 114.256 115.700 -0.072 0.000 2.593 474 S HA -0.000 4.469 4.470 -0.001 0.000 0.217 474 S C 1.503 176.178 174.600 0.126 0.000 0.966 474 S CA -0.032 58.185 58.200 0.028 0.000 0.914 474 S CB -0.434 62.800 63.200 0.056 0.000 0.776 474 S HN 0.507 nan 8.310 nan 0.000 0.523 475 H N 2.161 121.233 119.070 0.003 0.000 2.422 475 H HA -0.145 4.410 4.556 -0.001 0.000 0.298 475 H C 2.395 177.789 175.328 0.110 0.000 1.098 475 H CA 1.389 57.473 56.048 0.060 0.000 1.315 475 H CB 0.039 29.829 29.762 0.047 0.000 1.382 475 H HN 0.604 nan 8.280 nan 0.000 0.523 476 Q N 0.951 120.839 119.800 0.148 0.000 2.364 476 Q HA -0.069 4.270 4.340 -0.001 0.000 0.207 476 Q C 1.651 177.805 176.000 0.256 0.000 0.970 476 Q CA 0.864 56.770 55.803 0.172 0.000 0.888 476 Q CB -0.093 28.599 28.738 -0.077 0.000 0.951 476 Q HN 0.504 nan 8.270 nan 0.000 0.469 477 L N 0.258 121.513 121.223 0.053 0.000 2.558 477 L HA 0.111 4.451 4.340 -0.001 0.000 0.225 477 L C 1.319 178.147 176.870 -0.071 0.000 1.128 477 L CA -0.238 54.466 54.840 -0.226 0.000 0.868 477 L CB -0.449 41.231 42.059 -0.631 0.000 1.006 477 L HN 0.343 nan 8.230 nan 0.000 0.454 478 H N 2.100 121.175 119.070 0.009 0.000 2.897 478 H HA 0.076 4.631 4.556 -0.001 0.000 0.347 478 H C -0.245 174.985 175.328 -0.164 0.000 1.068 478 H CA 0.365 56.352 56.048 -0.102 0.000 1.426 478 H CB 0.830 30.515 29.762 -0.129 0.000 1.410 478 H HN 0.081 nan 8.280 nan 0.000 0.597 479 Q N 4.429 123.906 119.800 -0.538 0.000 2.257 479 Q HA 0.226 4.565 4.340 -0.001 0.000 0.255 479 Q C -0.886 174.804 176.000 -0.518 0.000 0.920 479 Q CA -0.356 55.250 55.803 -0.328 0.000 0.927 479 Q CB 1.310 29.922 28.738 -0.210 0.000 1.229 479 Q HN 0.510 nan 8.270 nan 0.000 0.433 480 Y N -0.133 119.929 120.300 -0.397 0.000 2.633 480 Y HA 0.455 5.005 4.550 -0.001 0.000 0.339 480 Y C 0.288 175.637 175.900 -0.918 0.000 1.045 480 Y CA -0.984 56.734 58.100 -0.637 0.000 1.098 480 Y CB 1.838 39.781 38.460 -0.861 0.000 1.296 480 Y HN 0.523 nan 8.280 nan 0.000 0.494 481 E N 0.138 120.024 120.200 -0.523 0.000 2.390 481 E HA 0.437 4.786 4.350 -0.001 0.000 0.277 481 E C -2.306 174.361 176.600 0.112 0.000 0.939 481 E CA -1.075 55.172 56.400 -0.255 0.000 0.769 481 E CB 2.857 32.509 29.700 -0.080 0.000 1.251 481 E HN 0.567 nan 8.360 nan 0.000 0.450 482 Y N 2.179 122.645 120.300 0.277 0.000 2.361 482 Y HA 0.439 4.988 4.550 -0.001 0.000 0.337 482 Y C -2.793 173.226 175.900 0.198 0.000 0.965 482 Y CA -2.328 55.961 58.100 0.315 0.000 1.091 482 Y CB 2.126 40.850 38.460 0.440 0.000 1.182 482 Y HN 0.398 nan 8.280 nan 0.000 0.450 483 P HA 0.256 nan 4.420 nan 0.000 0.274 483 P C -0.833 176.461 177.300 -0.010 0.000 1.231 483 P CA -0.166 62.648 63.100 -0.477 0.000 0.790 483 P CB 1.247 32.684 31.700 -0.439 0.000 0.951 484 A N 4.064 126.983 122.820 0.166 0.000 2.407 484 A HA 0.377 4.696 4.320 -0.001 0.000 0.248 484 A C -2.075 175.645 177.584 0.228 0.000 1.082 484 A CA -1.450 50.724 52.037 0.229 0.000 0.785 484 A CB -1.473 17.714 19.000 0.312 0.000 1.020 484 A HN 0.406 nan 8.150 nan 0.000 0.489 485 P HA 0.115 nan 4.420 nan 0.000 0.257 485 P C 1.106 178.409 177.300 0.006 0.000 1.162 485 P CA 2.260 65.402 63.100 0.069 0.000 0.762 485 P CB 0.275 32.007 31.700 0.053 0.000 0.753 486 G N 1.630 110.400 108.800 -0.050 0.000 2.267 486 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.257 486 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.257 486 G C 0.030 174.796 174.900 -0.223 0.000 0.998 486 G CA -0.234 44.768 45.100 -0.164 0.000 0.620 486 G HN 0.459 nan 8.290 nan 0.000 0.529 487 Y N 0.962 121.283 120.300 0.035 0.000 2.334 487 Y HA 0.625 5.174 4.550 -0.001 0.000 0.325 487 Y C 1.050 176.973 175.900 0.038 0.000 1.308 487 Y CA 0.202 58.332 58.100 0.051 0.000 1.389 487 Y CB 1.428 39.930 38.460 0.070 0.000 1.328 487 Y HN 0.195 nan 8.280 nan 0.000 0.532 488 S N 0.822 116.683 115.700 0.268 0.000 2.617 488 S HA 0.388 4.857 4.470 -0.001 0.000 0.283 488 S C -0.654 174.016 174.600 0.117 0.000 1.189 488 S CA -0.957 57.339 58.200 0.161 0.000 1.036 488 S CB 0.500 63.827 63.200 0.211 0.000 1.014 488 S HN 0.547 nan 8.310 nan 0.000 0.522 489 K N 2.169 122.582 120.400 0.021 0.000 2.219 489 K HA 0.250 4.569 4.320 -0.001 0.000 0.258 489 K C -0.022 176.645 176.600 0.111 0.000 1.008 489 K CA -0.576 55.745 56.287 0.056 0.000 0.928 489 K CB 0.232 32.720 32.500 -0.020 0.000 0.983 489 K HN 0.505 nan 8.250 nan 0.000 0.484 490 I N 2.951 123.641 120.570 0.201 0.000 2.648 490 I HA -0.080 4.089 4.170 -0.001 0.000 0.284 490 I C 1.219 177.363 176.117 0.045 0.000 1.153 490 I CA 0.697 62.051 61.300 0.091 0.000 1.426 490 I CB 0.403 38.396 38.000 -0.012 0.000 1.381 490 I HN 0.598 nan 8.210 nan 0.000 0.571 491 K N 4.888 125.328 120.400 0.067 0.000 2.474 491 K HA 0.317 4.636 4.320 -0.001 0.000 0.202 491 K C 0.206 176.926 176.600 0.201 0.000 1.248 491 K CA 0.401 56.736 56.287 0.080 0.000 0.946 491 K CB 0.913 33.429 32.500 0.027 0.000 1.102 491 K HN 0.595 nan 8.250 nan 0.000 0.541 492 M N -0.100 119.644 119.600 0.241 0.000 2.518 492 M HA 0.426 4.906 4.480 -0.001 0.000 0.300 492 M C -1.799 174.712 176.300 0.353 0.000 1.175 492 M CA -0.743 54.758 55.300 0.334 0.000 0.890 492 M CB 2.316 35.157 32.600 0.402 0.000 1.710 492 M HN -0.025 nan 8.290 nan 0.000 0.453 493 F N 4.882 124.928 119.950 0.160 0.000 2.553 493 F HA 0.387 4.913 4.527 -0.001 0.000 0.335 493 F C -1.774 174.144 175.800 0.198 0.000 1.148 493 F CA -0.701 57.403 58.000 0.173 0.000 0.963 493 F CB 1.103 40.176 39.000 0.121 0.000 1.217 493 F HN 0.704 nan 8.300 nan 0.000 0.441 494 W N 9.114 130.709 121.300 0.493 0.000 2.316 494 W HA 0.344 5.003 4.660 -0.001 0.000 0.339 494 W C -1.062 175.581 176.519 0.207 0.000 1.002 494 W CA -1.033 56.448 57.345 0.226 0.000 1.465 494 W CB 0.801 30.402 29.460 0.236 0.000 1.300 494 W HN 0.495 nan 8.180 nan 0.000 0.378 495 K N 4.187 124.741 120.400 0.256 0.000 2.174 495 K HA 0.122 4.441 4.320 -0.001 0.000 0.275 495 K C -1.344 175.442 176.600 0.310 0.000 1.015 495 K CA -0.685 55.646 56.287 0.073 0.000 0.933 495 K CB 1.803 34.094 32.500 -0.347 0.000 1.025 495 K HN 0.303 nan 8.250 nan 0.000 0.463 496 Y N 1.539 121.898 120.300 0.098 0.000 2.388 496 Y HA 0.330 4.879 4.550 -0.001 0.000 0.328 496 Y C 0.212 176.080 175.900 -0.053 0.000 0.963 496 Y CA 0.484 58.625 58.100 0.068 0.000 1.240 496 Y CB 0.874 39.338 38.460 0.008 0.000 1.118 496 Y HN 0.934 nan 8.280 nan 0.000 0.484 497 G N 2.952 111.689 108.800 -0.104 0.000 2.796 497 G HA2 0.199 4.158 3.960 -0.001 0.000 0.571 497 G HA3 0.199 4.158 3.960 -0.001 0.000 0.571 497 G C -0.085 174.715 174.900 -0.167 0.000 1.370 497 G CA -0.334 44.692 45.100 -0.124 0.000 0.856 497 G HN 1.548 nan 8.290 nan 0.000 0.538 498 G N -1.224 107.459 108.800 -0.196 0.000 4.485 498 G HA2 0.712 4.671 3.960 -0.001 0.000 0.238 498 G HA3 0.712 4.671 3.960 -0.001 0.000 0.238 498 G C -1.348 173.406 174.900 -0.242 0.000 1.216 498 G CA 0.760 45.709 45.100 -0.250 0.000 0.611 498 G HN 0.765 nan 8.290 nan 0.000 0.422 499 P HA 0.062 nan 4.420 nan 0.000 0.259 499 P C 0.914 178.094 177.300 -0.201 0.000 1.233 499 P CA 0.278 63.249 63.100 -0.214 0.000 0.827 499 P CB 0.341 31.945 31.700 -0.161 0.000 1.154 500 H N 0.310 119.199 119.070 -0.302 0.000 2.426 500 H HA -0.078 4.477 4.556 -0.001 0.000 0.298 500 H C 1.932 176.902 175.328 -0.597 0.000 1.107 500 H CA 0.614 56.347 56.048 -0.524 0.000 1.298 500 H CB -0.434 28.916 29.762 -0.687 0.000 1.377 500 H HN 0.087 nan 8.280 nan 0.000 0.519 501 L N -0.329 120.703 121.223 -0.319 0.000 2.191 501 L HA -0.099 4.241 4.340 -0.001 0.000 0.212 501 L C 2.495 179.185 176.870 -0.300 0.000 1.103 501 L CA 1.105 55.733 54.840 -0.353 0.000 0.769 501 L CB 0.004 41.805 42.059 -0.430 0.000 0.908 501 L HN 0.342 nan 8.230 nan 0.000 0.438 502 G N -2.171 106.473 108.800 -0.261 0.000 3.159 502 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.232 502 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.232 502 G C 1.266 176.026 174.900 -0.233 0.000 1.116 502 G CA 0.749 45.698 45.100 -0.252 0.000 0.767 502 G HN 0.376 nan 8.290 nan 0.000 0.547 503 T N -3.445 110.963 114.554 -0.244 0.000 2.975 503 T HA 0.381 4.731 4.350 -0.001 0.000 0.261 503 T C 1.353 175.898 174.700 -0.259 0.000 0.984 503 T CA -0.237 61.721 62.100 -0.236 0.000 0.911 503 T CB 0.325 69.050 68.868 -0.238 0.000 1.127 503 T HN -0.095 nan 8.240 nan 0.000 0.514 504 M N 2.879 122.274 119.600 -0.342 0.000 2.311 504 M HA 0.476 4.956 4.480 -0.001 0.000 0.214 504 M C 0.612 176.800 176.300 -0.186 0.000 0.868 504 M CA -0.074 55.027 55.300 -0.332 0.000 1.766 504 M CB 0.010 32.227 32.600 -0.638 0.000 1.121 504 M HN 0.341 nan 8.290 nan 0.000 0.870 505 T N -2.347 112.154 114.554 -0.089 0.000 2.887 505 T HA 0.701 5.051 4.350 -0.001 0.000 0.288 505 T C 0.091 174.784 174.700 -0.012 0.000 1.021 505 T CA -0.327 61.748 62.100 -0.041 0.000 1.000 505 T CB 1.508 70.367 68.868 -0.015 0.000 1.034 505 T HN 0.891 nan 8.240 nan 0.000 0.467 506 A N 1.834 124.627 122.820 -0.046 0.000 2.409 506 A HA -0.188 4.131 4.320 -0.001 0.000 0.290 506 A C 1.608 179.175 177.584 -0.027 0.000 1.440 506 A CA 1.248 53.251 52.037 -0.057 0.000 0.775 506 A CB -2.560 16.407 19.000 -0.056 0.000 1.069 506 A HN 1.947 nan 8.150 nan 0.000 0.389 507 T N -1.828 112.704 114.554 -0.037 0.000 2.996 507 T HA -0.198 4.151 4.350 -0.001 0.000 0.271 507 T C 1.445 176.135 174.700 -0.016 0.000 1.126 507 T CA 1.357 63.463 62.100 0.010 0.000 1.103 507 T CB -0.425 68.343 68.868 -0.167 0.000 0.870 507 T HN 0.604 nan 8.240 nan 0.000 0.528 508 N N 2.250 120.912 118.700 -0.064 0.000 2.258 508 N HA -0.129 4.610 4.740 -0.001 0.000 0.187 508 N C 2.096 177.584 175.510 -0.038 0.000 1.012 508 N CA 1.479 54.500 53.050 -0.048 0.000 0.870 508 N CB -0.369 38.103 38.487 -0.025 0.000 0.977 508 N HN 0.775 nan 8.380 nan 0.000 0.434 509 R N -0.611 119.854 120.500 -0.058 0.000 2.148 509 R HA -0.099 4.240 4.340 -0.001 0.000 0.227 509 R C 1.284 177.437 176.300 -0.246 0.000 1.103 509 R CA 1.017 57.026 56.100 -0.151 0.000 0.983 509 R CB -0.774 29.391 30.300 -0.225 0.000 0.874 509 R HN 0.255 nan 8.270 nan 0.000 0.451 510 Y N 1.313 121.471 120.300 -0.237 0.000 2.373 510 Y HA 0.052 4.601 4.550 -0.001 0.000 0.293 510 Y C 2.754 178.436 175.900 -0.364 0.000 1.129 510 Y CA 1.148 59.071 58.100 -0.295 0.000 1.226 510 Y CB -0.092 38.233 38.460 -0.225 0.000 1.000 510 Y HN 0.244 nan 8.280 nan 0.000 0.549 511 A N 0.091 122.813 122.820 -0.163 0.000 1.898 511 A HA -0.117 4.202 4.320 -0.001 0.000 0.214 511 A C 2.134 179.656 177.584 -0.103 0.000 1.183 511 A CA 1.200 53.082 52.037 -0.259 0.000 0.622 511 A CB -0.318 18.673 19.000 -0.015 0.000 0.824 511 A HN 0.324 nan 8.150 nan 0.000 0.444 512 K N -0.012 120.358 120.400 -0.051 0.000 2.057 512 K HA -0.178 4.141 4.320 -0.001 0.000 0.207 512 K C 2.189 178.769 176.600 -0.033 0.000 1.049 512 K CA 1.785 58.074 56.287 0.003 0.000 0.931 512 K CB -0.479 32.018 32.500 -0.006 0.000 0.714 512 K HN 0.791 nan 8.250 nan 0.000 0.440 513 M N -0.868 118.621 119.600 -0.184 0.000 2.202 513 M HA -0.192 4.287 4.480 -0.001 0.000 0.262 513 M C 1.416 177.631 176.300 -0.141 0.000 1.063 513 M CA 1.745 56.906 55.300 -0.230 0.000 1.097 513 M CB -0.813 31.529 32.600 -0.430 0.000 1.382 513 M HN 0.028 nan 8.290 nan 0.000 0.413 514 Y N 2.228 122.487 120.300 -0.069 0.000 2.333 514 Y HA -0.133 4.417 4.550 -0.001 0.000 0.290 514 Y C 2.681 178.649 175.900 0.113 0.000 1.144 514 Y CA 1.757 59.860 58.100 0.006 0.000 1.228 514 Y CB -0.460 37.942 38.460 -0.096 0.000 0.985 514 Y HN 0.544 nan 8.280 nan 0.000 0.542 515 T N -3.383 111.326 114.554 0.259 0.000 3.107 515 T HA -0.030 4.319 4.350 -0.001 0.000 0.249 515 T C 0.494 175.297 174.700 0.172 0.000 1.096 515 T CA -0.162 62.068 62.100 0.218 0.000 1.012 515 T CB -0.419 68.566 68.868 0.194 0.000 0.977 515 T HN 0.231 nan 8.240 nan 0.000 0.527 516 H N 3.315 122.433 119.070 0.080 0.000 2.964 516 H HA 0.007 4.562 4.556 -0.001 0.000 0.328 516 H C 0.803 176.179 175.328 0.080 0.000 1.030 516 H CA 0.758 56.840 56.048 0.056 0.000 1.445 516 H CB 0.847 30.618 29.762 0.014 0.000 1.449 516 H HN 0.408 nan 8.280 nan 0.000 0.581 517 D N 2.225 122.492 120.400 -0.221 0.000 2.350 517 D HA -0.166 4.474 4.640 -0.001 0.000 0.216 517 D C 1.434 177.774 176.300 0.067 0.000 0.968 517 D CA 0.892 54.863 54.000 -0.048 0.000 0.894 517 D CB -0.031 40.715 40.800 -0.089 0.000 0.909 517 D HN 0.465 nan 8.370 nan 0.000 0.520 518 S N 0.104 115.930 115.700 0.211 0.000 2.453 518 S HA -0.055 4.414 4.470 -0.001 0.000 0.231 518 S C 1.281 175.999 174.600 0.197 0.000 1.005 518 S CA -0.268 58.082 58.200 0.251 0.000 0.949 518 S CB -0.535 62.887 63.200 0.371 0.000 0.774 518 S HN 0.256 nan 8.310 nan 0.000 0.510 519 L N 2.422 123.781 121.223 0.227 0.000 2.363 519 L HA 0.241 4.580 4.340 -0.001 0.000 0.286 519 L C 1.041 178.055 176.870 0.240 0.000 1.106 519 L CA -0.145 54.822 54.840 0.212 0.000 0.859 519 L CB 0.559 42.751 42.059 0.222 0.000 1.223 519 L HN 0.372 nan 8.230 nan 0.000 0.446 520 E N 3.484 123.837 120.200 0.254 0.000 2.216 520 E HA -0.028 4.322 4.350 -0.001 0.000 0.192 520 E C -0.490 176.388 176.600 0.463 0.000 0.988 520 E CA 0.645 57.234 56.400 0.316 0.000 0.834 520 E CB 0.486 30.352 29.700 0.277 0.000 0.772 520 E HN 0.318 nan 8.360 nan 0.000 0.479 521 F N 0.148 120.207 119.950 0.182 0.000 2.622 521 F HA 0.269 4.795 4.527 -0.001 0.000 0.318 521 F C -1.780 174.072 175.800 0.086 0.000 1.135 521 F CA -1.111 56.943 58.000 0.090 0.000 1.015 521 F CB 1.469 40.546 39.000 0.128 0.000 1.275 521 F HN -0.416 nan 8.300 nan 0.000 0.457 522 V N 6.309 125.905 119.914 -0.530 0.000 2.443 522 V HA 0.619 4.738 4.120 -0.001 0.000 0.293 522 V C -0.896 174.719 176.094 -0.798 0.000 1.021 522 V CA -0.807 61.233 62.300 -0.435 0.000 0.848 522 V CB 1.577 33.334 31.823 -0.110 0.000 0.998 522 V HN 0.603 nan 8.190 nan 0.000 0.424 523 V N 3.134 122.623 119.914 -0.709 0.000 2.581 523 V HA 0.651 4.770 4.120 -0.001 0.000 0.303 523 V C 0.134 176.021 176.094 -0.345 0.000 1.041 523 V CA -0.430 61.476 62.300 -0.656 0.000 0.907 523 V CB 2.005 33.320 31.823 -0.846 0.000 0.994 523 V HN 0.814 nan 8.190 nan 0.000 0.442 524 S N 3.126 118.669 115.700 -0.261 0.000 2.640 524 S HA 0.390 4.860 4.470 -0.001 0.000 0.320 524 S C -0.635 173.918 174.600 -0.077 0.000 1.097 524 S CA -0.558 57.552 58.200 -0.150 0.000 1.092 524 S CB 0.994 64.066 63.200 -0.215 0.000 0.988 524 S HN 0.834 nan 8.310 nan 0.000 0.470 525 Q N 3.915 123.752 119.800 0.061 0.000 2.466 525 Q HA 0.588 4.927 4.340 -0.001 0.000 0.242 525 Q C -0.968 174.919 176.000 -0.189 0.000 1.046 525 Q CA -0.203 55.628 55.803 0.047 0.000 0.841 525 Q CB 0.461 29.403 28.738 0.340 0.000 1.193 525 Q HN 0.684 nan 8.270 nan 0.000 0.508 526 S N 2.710 118.283 115.700 -0.212 0.000 2.720 526 S HA 0.504 4.974 4.470 -0.001 0.000 0.287 526 S C 0.494 174.913 174.600 -0.302 0.000 1.168 526 S CA -0.731 57.304 58.200 -0.276 0.000 0.832 526 S CB 0.932 64.012 63.200 -0.200 0.000 1.166 526 S HN 0.659 nan 8.310 nan 0.000 0.493 527 I N -0.633 119.710 120.570 -0.378 0.000 2.947 527 I HA 0.200 4.369 4.170 -0.001 0.000 0.263 527 I C -0.126 175.563 176.117 -0.713 0.000 1.130 527 I CA 0.576 61.462 61.300 -0.690 0.000 1.448 527 I CB 0.268 37.522 38.000 -1.245 0.000 1.222 527 I HN 0.327 nan 8.210 nan 0.000 0.453 528 W N 0.292 121.530 121.300 -0.104 0.000 2.606 528 W HA 0.279 4.938 4.660 -0.001 0.000 0.332 528 W C -0.745 175.721 176.519 -0.089 0.000 1.052 528 W CA -1.034 56.268 57.345 -0.072 0.000 1.223 528 W CB 1.227 30.638 29.460 -0.082 0.000 1.383 528 W HN -0.175 nan 8.180 nan 0.000 0.524 529 F N 4.496 124.430 119.950 -0.026 0.000 2.509 529 F HA 0.148 4.675 4.527 -0.001 0.000 0.350 529 F C 0.331 176.010 175.800 -0.202 0.000 1.220 529 F CA 0.204 58.031 58.000 -0.290 0.000 1.151 529 F CB -0.250 38.362 39.000 -0.647 0.000 1.379 529 F HN 0.355 nan 8.300 nan 0.000 0.610 530 E N 2.379 122.322 120.200 -0.428 0.000 2.449 530 E HA 0.619 4.968 4.350 -0.001 0.000 0.278 530 E C 0.528 176.943 176.600 -0.308 0.000 1.059 530 E CA -0.818 55.381 56.400 -0.335 0.000 0.854 530 E CB 0.463 30.086 29.700 -0.129 0.000 1.465 530 E HN 0.572 nan 8.360 nan 0.000 0.462 531 G N 1.284 109.977 108.800 -0.179 0.000 2.692 531 G HA2 -0.455 3.504 3.960 -0.001 0.000 0.339 531 G HA3 -0.455 3.504 3.960 -0.001 0.000 0.339 531 G C 0.722 175.595 174.900 -0.045 0.000 1.226 531 G CA 1.021 46.069 45.100 -0.087 0.000 0.979 531 G HN 0.697 nan 8.290 nan 0.000 0.549 532 E N 0.318 120.473 120.200 -0.076 0.000 2.371 532 E HA 0.192 4.541 4.350 -0.001 0.000 0.194 532 E C 2.684 179.218 176.600 -0.111 0.000 1.012 532 E CA 0.528 56.935 56.400 0.013 0.000 0.860 532 E CB 0.076 29.734 29.700 -0.070 0.000 0.811 532 E HN 0.328 nan 8.360 nan 0.000 0.502 533 V N 1.603 121.342 119.914 -0.290 0.000 2.324 533 V HA -0.205 3.914 4.120 -0.001 0.000 0.250 533 V C -1.087 174.720 176.094 -0.479 0.000 1.060 533 V CA 1.658 63.713 62.300 -0.407 0.000 1.042 533 V CB -1.392 30.133 31.823 -0.496 0.000 0.650 533 V HN 0.203 nan 8.190 nan 0.000 0.450 534 P HA 0.020 nan 4.420 nan 0.000 0.258 534 P C 0.558 177.652 177.300 -0.343 0.000 1.319 534 P CA 0.991 63.809 63.100 -0.471 0.000 0.785 534 P CB -0.412 30.906 31.700 -0.637 0.000 1.252 535 F N -1.314 118.461 119.950 -0.293 0.000 2.724 535 F HA 0.341 4.868 4.527 -0.001 0.000 0.306 535 F C 1.531 177.142 175.800 -0.314 0.000 1.100 535 F CA -0.386 57.379 58.000 -0.391 0.000 1.255 535 F CB -0.095 38.282 39.000 -1.038 0.000 1.072 535 F HN -0.185 nan 8.300 nan 0.000 0.589 536 A N 0.278 123.047 122.820 -0.085 0.000 2.346 536 A HA 0.185 4.504 4.320 -0.001 0.000 0.252 536 A C 0.838 178.413 177.584 -0.015 0.000 1.089 536 A CA -0.084 51.877 52.037 -0.125 0.000 0.797 536 A CB 0.206 19.079 19.000 -0.212 0.000 1.047 536 A HN 0.193 nan 8.150 nan 0.000 0.494 537 D N -0.721 119.535 120.400 -0.240 0.000 2.262 537 D HA 0.142 4.781 4.640 -0.001 0.000 0.212 537 D C 0.126 176.355 176.300 -0.117 0.000 0.964 537 D CA 1.049 54.851 54.000 -0.330 0.000 0.875 537 D CB 0.220 40.434 40.800 -0.976 0.000 0.996 537 D HN 0.299 nan 8.370 nan 0.000 0.497 538 I N 1.446 121.896 120.570 -0.199 0.000 2.533 538 I HA 0.358 4.527 4.170 -0.001 0.000 0.290 538 I C -0.421 175.596 176.117 -0.167 0.000 1.056 538 I CA -0.591 60.657 61.300 -0.087 0.000 1.057 538 I CB 2.354 40.343 38.000 -0.018 0.000 1.240 538 I HN -0.224 nan 8.210 nan 0.000 0.423 539 I N 6.446 126.925 120.570 -0.151 0.000 2.436 539 I HA 0.440 4.609 4.170 -0.001 0.000 0.289 539 I C -0.752 175.226 176.117 -0.232 0.000 1.010 539 I CA -0.642 60.531 61.300 -0.212 0.000 1.098 539 I CB 2.149 39.979 38.000 -0.283 0.000 1.266 539 I HN 0.231 nan 8.210 nan 0.000 0.434 540 L N 7.625 128.731 121.223 -0.195 0.000 2.325 540 L HA 0.499 4.838 4.340 -0.001 0.000 0.281 540 L C -2.559 174.238 176.870 -0.121 0.000 1.004 540 L CA -1.899 52.797 54.840 -0.239 0.000 0.823 540 L CB 1.625 43.700 42.059 0.027 0.000 1.236 540 L HN 0.255 nan 8.230 nan 0.000 0.415 541 P HA 0.229 nan 4.420 nan 0.000 0.281 541 P C -0.737 176.628 177.300 0.109 0.000 1.286 541 P CA -0.083 63.000 63.100 -0.030 0.000 0.772 541 P CB 1.218 32.897 31.700 -0.035 0.000 0.862 542 A N 3.258 126.037 122.820 -0.068 0.000 2.281 542 A HA 0.690 5.009 4.320 -0.001 0.000 0.329 542 A C 0.249 177.732 177.584 -0.170 0.000 1.122 542 A CA -0.430 51.549 52.037 -0.096 0.000 0.850 542 A CB 0.552 19.428 19.000 -0.207 0.000 1.207 542 A HN 0.706 nan 8.150 nan 0.000 0.495 543 C N -0.186 119.041 119.300 -0.122 0.000 2.486 543 C HA 0.897 5.357 4.460 -0.001 0.000 0.348 543 C C 0.890 175.814 174.990 -0.110 0.000 1.203 543 C CA 0.014 58.955 59.018 -0.129 0.000 1.911 543 C CB 0.515 28.230 27.740 -0.042 0.000 2.340 543 C HN 1.174 nan 8.230 nan 0.000 0.511 544 T N -0.042 114.476 114.554 -0.060 0.000 2.726 544 T HA 0.171 4.520 4.350 -0.001 0.000 0.294 544 T C 1.154 175.957 174.700 0.170 0.000 1.013 544 T CA 0.188 62.361 62.100 0.120 0.000 0.996 544 T CB 0.334 69.420 68.868 0.364 0.000 1.016 544 T HN 0.910 nan 8.240 nan 0.000 0.529 545 N N -0.097 118.738 118.700 0.224 0.000 2.550 545 N HA -0.072 4.667 4.740 -0.001 0.000 0.186 545 N C 0.855 176.355 175.510 -0.018 0.000 1.110 545 N CA 0.572 53.676 53.050 0.090 0.000 0.912 545 N CB -0.482 38.034 38.487 0.049 0.000 0.968 545 N HN 0.605 nan 8.380 nan 0.000 0.448 546 F N 0.971 120.942 119.950 0.033 0.000 2.789 546 F HA 0.193 4.719 4.527 -0.001 0.000 0.300 546 F C 1.212 176.967 175.800 -0.076 0.000 1.132 546 F CA 0.263 58.255 58.000 -0.014 0.000 1.404 546 F CB 0.267 39.293 39.000 0.043 0.000 1.114 546 F HN 0.057 nan 8.300 nan 0.000 0.584 547 E N 0.281 120.529 120.200 0.080 0.000 2.558 547 E HA 0.174 4.524 4.350 -0.001 0.000 0.205 547 E C 0.115 176.682 176.600 -0.054 0.000 1.006 547 E CA -0.213 56.186 56.400 -0.001 0.000 0.961 547 E CB 0.421 30.134 29.700 0.022 0.000 1.044 547 E HN 0.324 nan 8.360 nan 0.000 0.465 548 R N -0.882 119.560 120.500 -0.096 0.000 2.734 548 R HA 0.418 4.757 4.340 -0.001 0.000 0.271 548 R C -1.644 174.593 176.300 -0.105 0.000 1.021 548 R CA -1.018 55.045 56.100 -0.062 0.000 0.893 548 R CB 0.580 30.922 30.300 0.070 0.000 1.244 548 R HN -0.108 nan 8.270 nan 0.000 0.464 549 W N 1.206 122.572 121.300 0.108 0.000 2.316 549 W HA 0.431 5.090 4.660 -0.001 0.000 0.311 549 W C 0.115 176.708 176.519 0.123 0.000 1.217 549 W CA 0.550 57.977 57.345 0.136 0.000 1.199 549 W CB 1.041 30.617 29.460 0.193 0.000 1.202 549 W HN 0.504 nan 8.180 nan 0.000 0.528 550 D N 1.441 122.063 120.400 0.370 0.000 2.825 550 D HA 0.556 5.195 4.640 -0.001 0.000 0.327 550 D C -1.662 174.808 176.300 0.283 0.000 1.277 550 D CA -0.750 53.397 54.000 0.244 0.000 0.950 550 D CB 2.002 42.879 40.800 0.128 0.000 1.438 550 D HN 0.335 nan 8.370 nan 0.000 0.526 551 I N 0.205 120.883 120.570 0.180 0.000 2.841 551 I HA 0.548 4.717 4.170 -0.001 0.000 0.298 551 I C -1.582 174.639 176.117 0.174 0.000 1.304 551 I CA -0.037 61.434 61.300 0.286 0.000 1.019 551 I CB 1.634 39.895 38.000 0.435 0.000 1.282 551 I HN 0.588 nan 8.210 nan 0.000 0.432 552 S N 3.923 119.812 115.700 0.315 0.000 2.636 552 S HA 0.465 4.934 4.470 -0.001 0.000 0.266 552 S C -1.468 173.369 174.600 0.395 0.000 1.147 552 S CA -0.896 57.489 58.200 0.309 0.000 0.815 552 S CB 1.672 64.922 63.200 0.085 0.000 1.119 552 S HN 0.832 nan 8.310 nan 0.000 0.470 553 E N 0.353 120.842 120.200 0.481 0.000 2.238 553 E HA 0.522 4.871 4.350 -0.001 0.000 0.267 553 E C -1.218 175.776 176.600 0.656 0.000 0.887 553 E CA -0.944 55.698 56.400 0.403 0.000 0.769 553 E CB 0.934 30.829 29.700 0.325 0.000 1.187 553 E HN 0.523 nan 8.360 nan 0.000 0.416 554 F N 4.273 124.417 119.950 0.324 0.000 2.514 554 F HA 0.051 4.577 4.527 -0.001 0.000 0.399 554 F C 0.969 176.960 175.800 0.318 0.000 1.011 554 F CA 1.152 59.299 58.000 0.244 0.000 1.109 554 F CB -0.770 38.328 39.000 0.163 0.000 0.980 554 F HN 0.783 nan 8.300 nan 0.000 0.538 555 A N 3.757 127.004 122.820 0.712 0.000 2.829 555 A HA -0.331 3.988 4.320 -0.001 0.000 0.267 555 A C 0.801 178.800 177.584 0.691 0.000 1.370 555 A CA 1.060 53.437 52.037 0.567 0.000 0.900 555 A CB -2.572 16.619 19.000 0.320 0.000 1.044 555 A HN 0.782 nan 8.150 nan 0.000 0.691 556 N N -0.297 118.850 118.700 0.745 0.000 2.415 556 N HA 0.301 5.040 4.740 -0.001 0.000 0.250 556 N C 0.887 176.481 175.510 0.139 0.000 1.127 556 N CA 0.344 53.668 53.050 0.456 0.000 0.945 556 N CB 0.391 39.154 38.487 0.459 0.000 1.196 556 N HN 0.628 nan 8.380 nan 0.000 0.499 557 C N 2.717 122.019 119.300 0.003 0.000 2.568 557 C HA 0.244 4.703 4.460 -0.001 0.000 0.284 557 C C 1.493 176.170 174.990 -0.522 0.000 1.338 557 C CA 1.231 59.880 59.018 -0.615 0.000 1.724 557 C CB -0.947 26.750 27.740 -0.072 0.000 2.131 557 C HN 0.887 nan 8.230 nan 0.000 0.513 558 S N -1.128 114.422 115.700 -0.250 0.000 3.521 558 S HA 0.050 4.519 4.470 -0.001 0.000 0.631 558 S C 1.164 175.527 174.600 -0.394 0.000 2.557 558 S CA 2.182 60.197 58.200 -0.307 0.000 3.244 558 S CB -1.804 61.296 63.200 -0.166 0.000 0.300 558 S HN 2.592 nan 8.310 nan 0.000 1.439 559 G N 0.695 109.197 108.800 -0.496 0.000 2.698 559 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.337 559 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.337 559 G C 0.723 175.342 174.900 -0.468 0.000 1.196 559 G CA 1.325 46.177 45.100 -0.413 0.000 0.965 559 G HN 1.428 nan 8.290 nan 0.000 0.550 560 Y N 1.265 121.540 120.300 -0.043 0.000 2.578 560 Y HA 0.426 4.975 4.550 -0.001 0.000 0.297 560 Y C 1.328 177.196 175.900 -0.053 0.000 1.176 560 Y CA 0.443 58.524 58.100 -0.031 0.000 1.315 560 Y CB 0.166 38.617 38.460 -0.016 0.000 1.031 560 Y HN 0.242 nan 8.280 nan 0.000 0.524 561 I N 0.332 120.870 120.570 -0.053 0.000 2.917 561 I HA 0.235 4.404 4.170 -0.001 0.000 0.292 561 I C -2.791 173.094 176.117 -0.387 0.000 1.510 561 I CA -1.978 59.225 61.300 -0.161 0.000 0.858 561 I CB 0.829 38.790 38.000 -0.065 0.000 1.862 561 I HN -0.236 nan 8.210 nan 0.000 0.615 562 P HA -0.042 nan 4.420 nan 0.000 0.261 562 P C -0.139 176.853 177.300 -0.515 0.000 1.173 562 P CA 0.641 63.197 63.100 -0.908 0.000 0.760 562 P CB 0.239 31.177 31.700 -1.269 0.000 0.783 563 D N 1.442 121.627 120.400 -0.357 0.000 2.708 563 D HA -0.216 4.423 4.640 -0.001 0.000 0.236 563 D C 0.535 176.323 176.300 -0.853 0.000 1.146 563 D CA 1.092 54.739 54.000 -0.588 0.000 0.662 563 D CB -1.724 38.858 40.800 -0.363 0.000 1.059 563 D HN 0.670 nan 8.370 nan 0.000 0.428 564 N N -0.614 117.796 118.700 -0.484 0.000 2.521 564 N HA -0.139 4.600 4.740 -0.001 0.000 0.188 564 N C 1.698 177.085 175.510 -0.205 0.000 1.146 564 N CA 0.121 52.966 53.050 -0.341 0.000 0.893 564 N CB -0.374 38.002 38.487 -0.184 0.000 0.975 564 N HN 0.551 nan 8.380 nan 0.000 0.451 565 Y N -0.206 120.135 120.300 0.069 0.000 2.571 565 Y HA -0.030 4.519 4.550 -0.001 0.000 0.294 565 Y C 1.873 177.800 175.900 0.045 0.000 1.141 565 Y CA 0.036 58.192 58.100 0.094 0.000 1.308 565 Y CB -0.619 37.949 38.460 0.180 0.000 1.002 565 Y HN 0.300 nan 8.280 nan 0.000 0.551 566 Q N 0.905 120.626 119.800 -0.132 0.000 2.515 566 Q HA 0.029 4.369 4.340 -0.001 0.000 0.214 566 Q C 1.158 177.140 176.000 -0.029 0.000 0.971 566 Q CA 0.677 56.491 55.803 0.019 0.000 0.952 566 Q CB -0.361 28.358 28.738 -0.032 0.000 0.999 566 Q HN 0.632 nan 8.270 nan 0.000 0.524 567 L N -0.047 121.134 121.223 -0.069 0.000 2.341 567 L HA 0.094 4.433 4.340 -0.001 0.000 0.214 567 L C 0.720 177.516 176.870 -0.122 0.000 1.115 567 L CA -0.227 54.554 54.840 -0.099 0.000 0.820 567 L CB 0.244 42.234 42.059 -0.115 0.000 0.944 567 L HN 0.342 nan 8.230 nan 0.000 0.452 568 C N -0.272 118.936 119.300 -0.155 0.000 2.347 568 C HA 0.184 4.643 4.460 -0.001 0.000 0.366 568 C C 1.741 176.750 174.990 0.032 0.000 1.241 568 C CA -0.873 58.010 59.018 -0.225 0.000 2.360 568 C CB 0.803 28.213 27.740 -0.550 0.000 2.290 568 C HN 0.352 nan 8.230 nan 0.000 0.587 569 N N 0.005 118.770 118.700 0.108 0.000 2.446 569 N HA 0.041 4.780 4.740 -0.001 0.000 0.179 569 N C -0.250 175.269 175.510 0.014 0.000 1.054 569 N CA 0.876 54.046 53.050 0.200 0.000 0.905 569 N CB -0.053 38.507 38.487 0.122 0.000 0.973 569 N HN 0.739 nan 8.380 nan 0.000 0.448 570 H N -1.326 117.927 119.070 0.305 0.000 3.046 570 H HA 0.375 4.930 4.556 -0.001 0.000 0.361 570 H C -0.528 174.912 175.328 0.187 0.000 1.235 570 H CA -0.710 55.502 56.048 0.273 0.000 1.146 570 H CB 1.411 31.358 29.762 0.309 0.000 1.859 570 H HN -0.222 nan 8.280 nan 0.000 0.548 571 R N 1.531 122.157 120.500 0.210 0.000 2.196 571 R HA 0.405 4.744 4.340 -0.001 0.000 0.340 571 R C -0.998 175.341 176.300 0.066 0.000 1.043 571 R CA -0.529 55.630 56.100 0.098 0.000 0.883 571 R CB 0.739 30.989 30.300 -0.083 0.000 1.078 571 R HN 0.207 nan 8.270 nan 0.000 0.462 572 V N 6.319 126.361 119.914 0.214 0.000 2.334 572 V HA 0.353 4.472 4.120 -0.001 0.000 0.281 572 V C 0.160 176.359 176.094 0.175 0.000 1.016 572 V CA -0.599 61.816 62.300 0.193 0.000 0.832 572 V CB 1.511 33.528 31.823 0.324 0.000 0.999 572 V HN 0.640 nan 8.190 nan 0.000 0.439 573 I N 5.121 125.759 120.570 0.114 0.000 2.321 573 I HA 0.519 4.688 4.170 -0.001 0.000 0.291 573 I C 0.321 176.668 176.117 0.384 0.000 0.998 573 I CA 0.130 61.474 61.300 0.074 0.000 1.227 573 I CB 1.616 39.498 38.000 -0.196 0.000 1.368 573 I HN 0.719 nan 8.210 nan 0.000 0.466 574 S N 6.322 122.254 115.700 0.386 0.000 2.599 574 S HA 0.659 5.128 4.470 -0.001 0.000 0.294 574 S C -0.814 174.032 174.600 0.410 0.000 1.094 574 S CA -0.933 57.503 58.200 0.393 0.000 0.931 574 S CB 2.283 65.594 63.200 0.185 0.000 1.093 574 S HN 0.445 nan 8.310 nan 0.000 0.488 575 L N 1.650 122.952 121.223 0.132 0.000 2.290 575 L HA 0.391 4.730 4.340 -0.001 0.000 0.284 575 L C -0.157 176.770 176.870 0.095 0.000 1.078 575 L CA 0.173 55.082 54.840 0.115 0.000 0.815 575 L CB 0.596 42.485 42.059 -0.283 0.000 1.162 575 L HN 0.772 nan 8.230 nan 0.000 0.435 576 Q N 5.407 125.308 119.800 0.168 0.000 2.566 576 Q HA 0.443 4.783 4.340 -0.001 0.000 0.221 576 Q C -0.055 175.956 176.000 0.018 0.000 1.195 576 Q CA -0.432 55.389 55.803 0.029 0.000 0.967 576 Q CB 0.714 29.466 28.738 0.024 0.000 1.337 576 Q HN 0.863 nan 8.270 nan 0.000 0.553 577 A N 2.795 125.561 122.820 -0.089 0.000 2.462 577 A HA 0.046 4.365 4.320 -0.001 0.000 0.243 577 A C 0.189 177.380 177.584 -0.655 0.000 1.076 577 A CA -0.166 51.687 52.037 -0.306 0.000 0.773 577 A CB 0.273 19.144 19.000 -0.215 0.000 1.010 577 A HN 0.631 nan 8.150 nan 0.000 0.493 578 K N 2.681 122.197 120.400 -1.473 0.000 2.294 578 K HA 0.161 4.480 4.320 -0.001 0.000 0.288 578 K C 0.379 176.638 176.600 -0.568 0.000 1.072 578 K CA -0.358 55.307 56.287 -1.037 0.000 0.960 578 K CB -0.332 31.288 32.500 -1.467 0.000 1.043 578 K HN 0.726 nan 8.250 nan 0.000 0.455 579 C N 4.657 123.803 119.300 -0.258 0.000 2.467 579 C HA 0.088 4.547 4.460 -0.001 0.000 0.279 579 C C 1.154 176.135 174.990 -0.015 0.000 1.347 579 C CA -0.214 58.756 59.018 -0.079 0.000 1.748 579 C CB -1.045 26.744 27.740 0.083 0.000 1.977 579 C HN 0.843 nan 8.230 nan 0.000 0.501 580 I N -3.293 117.272 120.570 -0.008 0.000 3.102 580 I HA 0.534 4.703 4.170 -0.001 0.000 0.310 580 I C -1.024 175.105 176.117 0.020 0.000 1.246 580 I CA -0.728 60.596 61.300 0.039 0.000 0.979 580 I CB 1.044 39.107 38.000 0.105 0.000 1.267 580 I HN -0.245 nan 8.210 nan 0.000 0.451 581 E N 2.333 122.563 120.200 0.049 0.000 2.404 581 E HA 0.302 4.651 4.350 -0.001 0.000 0.261 581 E C -2.356 174.275 176.600 0.051 0.000 1.074 581 E CA -1.399 55.031 56.400 0.049 0.000 0.917 581 E CB 0.136 29.875 29.700 0.065 0.000 0.965 581 E HN 0.415 nan 8.360 nan 0.000 0.433 582 P HA -0.076 nan 4.420 nan 0.000 0.265 582 P C -0.502 176.829 177.300 0.052 0.000 1.187 582 P CA 0.189 63.311 63.100 0.036 0.000 0.766 582 P CB 0.416 32.139 31.700 0.038 0.000 0.820 583 V N 3.693 123.627 119.914 0.034 0.000 2.555 583 V HA 0.376 4.495 4.120 -0.001 0.000 0.286 583 V C 1.377 177.499 176.094 0.047 0.000 1.044 583 V CA 1.159 63.491 62.300 0.053 0.000 1.026 583 V CB -0.123 31.717 31.823 0.029 0.000 0.981 583 V HN 1.059 nan 8.190 nan 0.000 0.480 584 G N 4.863 113.702 108.800 0.066 0.000 2.574 584 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.286 584 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.286 584 G C 0.443 175.414 174.900 0.119 0.000 1.212 584 G CA 0.623 45.767 45.100 0.073 0.000 0.979 584 G HN 0.717 nan 8.290 nan 0.000 0.557 585 E N 0.984 121.280 120.200 0.161 0.000 2.437 585 E HA 0.359 4.708 4.350 -0.001 0.000 0.195 585 E C 1.211 178.048 176.600 0.396 0.000 1.029 585 E CA 0.430 56.997 56.400 0.277 0.000 0.948 585 E CB 0.093 29.986 29.700 0.320 0.000 1.082 585 E HN 0.654 nan 8.360 nan 0.000 0.456 586 S N 0.673 116.510 115.700 0.229 0.000 2.624 586 S HA 0.488 4.957 4.470 -0.001 0.000 0.263 586 S C 0.156 174.853 174.600 0.162 0.000 1.287 586 S CA -0.668 57.676 58.200 0.239 0.000 0.990 586 S CB 0.970 64.202 63.200 0.053 0.000 0.950 586 S HN 0.219 nan 8.310 nan 0.000 0.561 587 M N -0.196 119.463 119.600 0.098 0.000 2.683 587 M HA 0.540 5.019 4.480 -0.001 0.000 0.274 587 M C -0.502 175.781 176.300 -0.027 0.000 1.272 587 M CA -0.991 54.283 55.300 -0.044 0.000 0.833 587 M CB 1.625 34.065 32.600 -0.267 0.000 1.708 587 M HN 0.726 nan 8.290 nan 0.000 0.463 588 S N -0.357 115.345 115.700 0.004 0.000 2.579 588 S HA 0.093 4.562 4.470 -0.001 0.000 0.275 588 S C 0.315 174.935 174.600 0.033 0.000 1.345 588 S CA -0.058 58.177 58.200 0.058 0.000 1.031 588 S CB 0.572 63.859 63.200 0.145 0.000 0.892 588 S HN 0.749 nan 8.310 nan 0.000 0.529 589 D N 0.570 121.005 120.400 0.058 0.000 2.123 589 D HA -0.170 4.469 4.640 -0.001 0.000 0.196 589 D C 1.463 177.747 176.300 -0.027 0.000 0.992 589 D CA 1.724 55.697 54.000 -0.045 0.000 0.833 589 D CB -0.282 40.618 40.800 0.168 0.000 0.954 589 D HN 0.821 nan 8.370 nan 0.000 0.455 590 Y N 1.962 122.351 120.300 0.148 0.000 2.165 590 Y HA -0.204 4.345 4.550 -0.001 0.000 0.286 590 Y C 2.226 178.277 175.900 0.251 0.000 1.155 590 Y CA 1.482 59.774 58.100 0.319 0.000 1.164 590 Y CB 0.137 38.781 38.460 0.306 0.000 0.978 590 Y HN -0.167 nan 8.280 nan 0.000 0.513 591 E N 0.323 120.658 120.200 0.225 0.000 2.150 591 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 591 E C 2.333 178.838 176.600 -0.157 0.000 0.985 591 E CA 1.297 57.732 56.400 0.059 0.000 0.814 591 E CB -0.277 29.437 29.700 0.023 0.000 0.752 591 E HN 0.614 nan 8.360 nan 0.000 0.466 592 I N 0.009 120.435 120.570 -0.240 0.000 2.142 592 I HA -0.299 3.870 4.170 -0.001 0.000 0.240 592 I C 2.250 178.255 176.117 -0.187 0.000 1.078 592 I CA 1.319 62.433 61.300 -0.310 0.000 1.343 592 I CB -0.481 37.378 38.000 -0.234 0.000 1.046 592 I HN 0.126 nan 8.210 nan 0.000 0.405 593 Y N 0.319 120.474 120.300 -0.241 0.000 2.274 593 Y HA -0.225 4.324 4.550 -0.001 0.000 0.290 593 Y C 2.853 178.371 175.900 -0.637 0.000 1.145 593 Y CA 0.654 58.291 58.100 -0.772 0.000 1.203 593 Y CB -0.230 37.636 38.460 -0.989 0.000 0.984 593 Y HN 0.084 nan 8.280 nan 0.000 0.533 594 R N 0.336 120.747 120.500 -0.148 0.000 2.092 594 R HA -0.180 4.159 4.340 -0.001 0.000 0.231 594 R C 2.151 178.465 176.300 0.024 0.000 1.119 594 R CA 1.127 57.257 56.100 0.049 0.000 0.970 594 R CB -0.350 30.006 30.300 0.095 0.000 0.864 594 R HN 0.308 nan 8.270 nan 0.000 0.440 595 L N 0.148 121.321 121.223 -0.084 0.000 2.056 595 L HA -0.070 4.269 4.340 -0.001 0.000 0.207 595 L C 1.656 178.480 176.870 -0.076 0.000 1.078 595 L CA 1.710 56.470 54.840 -0.133 0.000 0.749 595 L CB -0.563 41.310 42.059 -0.310 0.000 0.901 595 L HN 0.116 nan 8.230 nan 0.000 0.433 596 F N -0.331 119.620 119.950 0.001 0.000 2.146 596 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 596 F C 2.506 178.428 175.800 0.203 0.000 1.096 596 F CA 1.161 59.239 58.000 0.131 0.000 1.275 596 F CB -0.688 38.411 39.000 0.166 0.000 1.008 596 F HN 0.200 nan 8.300 nan 0.000 0.480 597 A N 0.091 123.120 122.820 0.347 0.000 1.908 597 A HA -0.290 4.029 4.320 -0.001 0.000 0.218 597 A C 2.166 179.885 177.584 0.224 0.000 1.181 597 A CA 2.110 54.321 52.037 0.289 0.000 0.627 597 A CB -0.804 18.330 19.000 0.223 0.000 0.818 597 A HN 0.380 nan 8.150 nan 0.000 0.445 598 K N -0.134 120.374 120.400 0.179 0.000 2.057 598 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 598 K C 1.798 178.475 176.600 0.128 0.000 1.049 598 K CA 1.721 58.090 56.287 0.136 0.000 0.931 598 K CB -0.159 32.398 32.500 0.095 0.000 0.714 598 K HN 0.439 nan 8.250 nan 0.000 0.440 599 K N 0.187 120.674 120.400 0.144 0.000 2.432 599 K HA 0.025 4.344 4.320 -0.001 0.000 0.196 599 K C 1.430 178.130 176.600 0.167 0.000 1.038 599 K CA 0.451 56.824 56.287 0.143 0.000 0.986 599 K CB 0.241 32.829 32.500 0.146 0.000 0.782 599 K HN 0.214 nan 8.250 nan 0.000 0.485 600 L N 0.513 121.854 121.223 0.197 0.000 2.628 600 L HA 0.093 4.432 4.340 -0.001 0.000 0.229 600 L C 0.117 177.058 176.870 0.119 0.000 1.137 600 L CA -0.234 54.705 54.840 0.165 0.000 0.909 600 L CB -0.252 41.925 42.059 0.196 0.000 1.137 600 L HN 0.232 nan 8.230 nan 0.000 0.470 601 N N 1.346 120.118 118.700 0.120 0.000 2.747 601 N HA -0.231 4.508 4.740 -0.001 0.000 0.249 601 N C 0.264 175.835 175.510 0.101 0.000 1.107 601 N CA 1.018 54.128 53.050 0.100 0.000 0.707 601 N CB -1.089 37.445 38.487 0.079 0.000 1.054 601 N HN 0.611 nan 8.380 nan 0.000 0.555 602 I N -3.985 116.662 120.570 0.129 0.000 3.813 602 I HA 0.281 4.450 4.170 -0.001 0.000 0.323 602 I C 1.321 177.565 176.117 0.210 0.000 1.536 602 I CA -0.590 60.794 61.300 0.139 0.000 1.083 602 I CB 0.306 38.372 38.000 0.110 0.000 1.265 602 I HN 0.087 nan 8.210 nan 0.000 0.507 603 E N 2.414 122.738 120.200 0.207 0.000 2.049 603 E HA -0.325 4.024 4.350 -0.001 0.000 0.198 603 E C 1.942 178.698 176.600 0.260 0.000 1.007 603 E CA 2.413 58.968 56.400 0.258 0.000 0.809 603 E CB 0.151 29.967 29.700 0.194 0.000 0.749 603 E HN 0.608 nan 8.360 nan 0.000 0.450 604 E N 0.278 120.587 120.200 0.182 0.000 2.049 604 E HA -0.250 4.099 4.350 -0.001 0.000 0.198 604 E C 1.918 178.626 176.600 0.179 0.000 1.007 604 E CA 2.250 58.742 56.400 0.153 0.000 0.809 604 E CB -0.248 29.516 29.700 0.106 0.000 0.749 604 E HN 0.293 nan 8.360 nan 0.000 0.450 605 M N -0.507 119.200 119.600 0.178 0.000 2.117 605 M HA 0.014 4.493 4.480 -0.001 0.000 0.262 605 M C 1.990 178.450 176.300 0.267 0.000 1.065 605 M CA 1.456 56.864 55.300 0.180 0.000 1.114 605 M CB -0.747 31.931 32.600 0.130 0.000 1.361 605 M HN 0.241 nan 8.290 nan 0.000 0.408 606 F N 0.615 120.675 119.950 0.183 0.000 2.060 606 F HA -0.159 4.367 4.527 -0.001 0.000 0.295 606 F C 2.643 178.665 175.800 0.370 0.000 1.120 606 F CA 1.831 59.968 58.000 0.229 0.000 1.205 606 F CB -0.770 38.355 39.000 0.210 0.000 0.986 606 F HN 0.251 nan 8.300 nan 0.000 0.470 607 S N -0.675 115.107 115.700 0.137 0.000 2.446 607 S HA -0.028 4.441 4.470 -0.001 0.000 0.225 607 S C 0.896 175.639 174.600 0.238 0.000 1.016 607 S CA 0.663 58.991 58.200 0.213 0.000 0.943 607 S CB -0.558 62.830 63.200 0.313 0.000 0.786 607 S HN 0.575 nan 8.310 nan 0.000 0.508 608 E N 0.340 120.648 120.200 0.181 0.000 2.722 608 E HA -0.213 4.137 4.350 -0.001 0.000 0.265 608 E C 0.771 177.358 176.600 -0.023 0.000 1.081 608 E CA 0.305 56.755 56.400 0.084 0.000 0.781 608 E CB -2.219 27.512 29.700 0.052 0.000 1.372 608 E HN 1.045 nan 8.360 nan 0.000 0.423 609 G N 0.224 109.046 108.800 0.037 0.000 2.155 609 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.257 609 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.257 609 G C 0.067 174.932 174.900 -0.058 0.000 0.983 609 G CA 1.058 46.163 45.100 0.008 0.000 0.676 609 G HN 0.288 nan 8.290 nan 0.000 0.528 610 K N 0.812 121.139 120.400 -0.122 0.000 2.164 610 K HA 0.564 4.883 4.320 -0.001 0.000 0.258 610 K C -0.091 176.507 176.600 -0.005 0.000 0.951 610 K CA -0.456 55.671 56.287 -0.268 0.000 0.844 610 K CB 1.342 33.298 32.500 -0.907 0.000 1.099 610 K HN 0.346 nan 8.250 nan 0.000 0.435 611 D N 0.140 120.526 120.400 -0.024 0.000 2.478 611 D HA 0.071 4.710 4.640 -0.001 0.000 0.263 611 D C 0.482 176.756 176.300 -0.043 0.000 1.153 611 D CA -0.570 53.482 54.000 0.087 0.000 1.038 611 D CB 0.566 41.420 40.800 0.090 0.000 1.120 611 D HN 0.492 nan 8.370 nan 0.000 0.564 612 E N -1.182 118.973 120.200 -0.074 0.000 2.097 612 E HA -0.165 4.184 4.350 -0.001 0.000 0.196 612 E C 1.758 178.398 176.600 0.067 0.000 1.000 612 E CA 0.809 57.171 56.400 -0.062 0.000 0.804 612 E CB -0.154 29.587 29.700 0.068 0.000 0.740 612 E HN 0.310 nan 8.360 nan 0.000 0.454 613 L N 0.539 121.789 121.223 0.045 0.000 2.083 613 L HA -0.108 4.231 4.340 -0.001 0.000 0.209 613 L C 2.112 178.903 176.870 -0.131 0.000 1.083 613 L CA 1.787 56.608 54.840 -0.032 0.000 0.752 613 L CB -0.661 41.245 42.059 -0.254 0.000 0.899 613 L HN 0.071 nan 8.230 nan 0.000 0.433 614 A N -1.456 121.265 122.820 -0.165 0.000 1.877 614 A HA -0.252 4.067 4.320 -0.001 0.000 0.216 614 A C 2.142 179.569 177.584 -0.262 0.000 1.186 614 A CA 1.780 53.652 52.037 -0.276 0.000 0.620 614 A CB -1.321 17.489 19.000 -0.317 0.000 0.822 614 A HN 0.616 nan 8.150 nan 0.000 0.443 615 W N -0.707 120.483 121.300 -0.184 0.000 2.374 615 W HA -0.177 4.482 4.660 -0.001 0.000 0.288 615 W C 2.548 179.010 176.519 -0.096 0.000 1.218 615 W CA 0.773 58.038 57.345 -0.134 0.000 1.245 615 W CB -0.432 28.942 29.460 -0.145 0.000 1.126 615 W HN 0.367 nan 8.180 nan 0.000 0.545 616 C N -0.730 118.624 119.300 0.091 0.000 2.429 616 C HA -0.192 4.267 4.460 -0.001 0.000 0.277 616 C C 2.546 177.373 174.990 -0.272 0.000 1.262 616 C CA 1.525 60.565 59.018 0.038 0.000 1.733 616 C CB -1.205 26.635 27.740 0.167 0.000 2.010 616 C HN 0.441 nan 8.230 nan 0.000 0.483 617 E N 0.513 120.228 120.200 -0.807 0.000 2.077 617 E HA -0.279 4.070 4.350 -0.001 0.000 0.193 617 E C 2.227 178.603 176.600 -0.374 0.000 0.989 617 E CA 1.289 56.954 56.400 -1.225 0.000 0.800 617 E CB -0.312 28.546 29.700 -1.403 0.000 0.746 617 E HN 0.701 nan 8.360 nan 0.000 0.452 618 Q N -0.707 118.966 119.800 -0.213 0.000 2.124 618 Q HA -0.232 4.107 4.340 -0.001 0.000 0.202 618 Q C 1.941 177.971 176.000 0.051 0.000 0.977 618 Q CA 1.538 57.289 55.803 -0.087 0.000 0.850 618 Q CB -0.244 28.435 28.738 -0.099 0.000 0.901 618 Q HN 0.485 nan 8.270 nan 0.000 0.429 619 Y N -0.029 120.305 120.300 0.055 0.000 2.145 619 Y HA -0.285 4.264 4.550 -0.001 0.000 0.286 619 Y C 1.910 177.906 175.900 0.159 0.000 1.145 619 Y CA 1.929 60.128 58.100 0.165 0.000 1.148 619 Y CB -0.395 38.175 38.460 0.182 0.000 0.981 619 Y HN 0.270 nan 8.280 nan 0.000 0.507 620 F N 1.412 121.525 119.950 0.271 0.000 2.091 620 F HA -0.319 4.207 4.527 -0.001 0.000 0.299 620 F C 2.031 177.905 175.800 0.122 0.000 1.103 620 F CA 2.199 60.354 58.000 0.258 0.000 1.228 620 F CB -0.633 38.556 39.000 0.316 0.000 0.984 620 F HN 0.064 nan 8.300 nan 0.000 0.477 621 N N 0.490 119.309 118.700 0.197 0.000 2.520 621 N HA -0.070 4.669 4.740 -0.001 0.000 0.185 621 N C 1.422 176.885 175.510 -0.079 0.000 1.068 621 N CA 1.011 54.088 53.050 0.046 0.000 0.911 621 N CB -0.417 38.103 38.487 0.055 0.000 0.961 621 N HN 0.400 nan 8.380 nan 0.000 0.446 622 A N 0.238 122.991 122.820 -0.110 0.000 2.337 622 A HA 0.112 4.431 4.320 -0.001 0.000 0.227 622 A C 1.167 178.710 177.584 -0.069 0.000 1.259 622 A CA 0.075 52.014 52.037 -0.162 0.000 0.870 622 A CB -0.159 18.629 19.000 -0.354 0.000 0.927 622 A HN 0.329 nan 8.150 nan 0.000 0.497 623 T N -4.654 109.821 114.554 -0.132 0.000 2.804 623 T HA 0.430 4.779 4.350 -0.001 0.000 0.272 623 T C -0.033 174.587 174.700 -0.133 0.000 0.986 623 T CA -0.165 61.837 62.100 -0.162 0.000 0.999 623 T CB 0.940 69.624 68.868 -0.305 0.000 1.307 623 T HN -0.089 nan 8.240 nan 0.000 0.586 624 D N -0.225 120.057 120.400 -0.196 0.000 2.340 624 D HA 0.150 4.789 4.640 -0.001 0.000 0.220 624 D C 1.862 178.204 176.300 0.069 0.000 1.039 624 D CA 0.123 54.041 54.000 -0.137 0.000 0.866 624 D CB -0.081 40.491 40.800 -0.380 0.000 0.913 624 D HN 0.281 nan 8.370 nan 0.000 0.523 625 M N 0.464 120.048 119.600 -0.027 0.000 2.108 625 M HA -0.125 4.354 4.480 -0.001 0.000 0.257 625 M C -0.797 175.440 176.300 -0.105 0.000 1.071 625 M CA 1.509 56.753 55.300 -0.094 0.000 1.093 625 M CB -2.034 30.098 32.600 -0.779 0.000 1.345 625 M HN -0.031 nan 8.290 nan 0.000 0.403 626 P HA -0.174 nan 4.420 nan 0.000 0.220 626 P C 1.129 178.442 177.300 0.022 0.000 1.144 626 P CA 1.274 64.386 63.100 0.021 0.000 0.800 626 P CB -0.210 31.496 31.700 0.010 0.000 0.772 627 K N -2.146 118.247 120.400 -0.013 0.000 2.283 627 K HA -0.118 4.201 4.320 -0.001 0.000 0.202 627 K C 1.367 177.783 176.600 -0.307 0.000 1.048 627 K CA 1.307 57.498 56.287 -0.159 0.000 0.948 627 K CB -0.249 32.119 32.500 -0.220 0.000 0.742 627 K HN 0.330 nan 8.250 nan 0.000 0.458 628 Y N -0.456 119.841 120.300 -0.005 0.000 2.581 628 Y HA 0.236 4.786 4.550 -0.001 0.000 0.271 628 Y C 0.906 176.745 175.900 -0.101 0.000 1.100 628 Y CA -0.435 57.615 58.100 -0.083 0.000 1.281 628 Y CB 0.660 38.956 38.460 -0.273 0.000 1.237 628 Y HN -0.060 nan 8.280 nan 0.000 0.514 629 M N -0.958 118.699 119.600 0.096 0.000 2.562 629 M HA 0.431 4.910 4.480 -0.001 0.000 0.281 629 M C -0.728 175.762 176.300 0.316 0.000 1.195 629 M CA -0.890 54.496 55.300 0.144 0.000 0.888 629 M CB 1.792 34.438 32.600 0.077 0.000 1.731 629 M HN -0.023 nan 8.290 nan 0.000 0.493 630 T N -1.615 113.085 114.554 0.242 0.000 2.788 630 T HA 0.129 4.479 4.350 -0.001 0.000 0.287 630 T C 0.819 175.629 174.700 0.184 0.000 1.007 630 T CA -0.342 61.930 62.100 0.285 0.000 1.005 630 T CB 1.152 70.118 68.868 0.163 0.000 1.012 630 T HN 0.945 nan 8.240 nan 0.000 0.530 631 W N 1.348 122.564 121.300 -0.138 0.000 2.333 631 W HA -0.203 4.456 4.660 -0.001 0.000 0.316 631 W C 1.176 177.580 176.519 -0.191 0.000 1.215 631 W CA 1.831 58.851 57.345 -0.543 0.000 1.278 631 W CB -0.497 28.765 29.460 -0.330 0.000 1.154 631 W HN 0.718 nan 8.180 nan 0.000 0.486 632 D N 0.435 120.728 120.400 -0.178 0.000 2.116 632 D HA -0.239 4.400 4.640 -0.001 0.000 0.193 632 D C 1.934 178.129 176.300 -0.174 0.000 0.998 632 D CA 2.235 56.095 54.000 -0.233 0.000 0.836 632 D CB -0.753 40.008 40.800 -0.065 0.000 0.951 632 D HN 0.435 nan 8.370 nan 0.000 0.449 633 E N -0.432 119.721 120.200 -0.077 0.000 2.077 633 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 633 E C 1.986 178.545 176.600 -0.068 0.000 0.989 633 E CA 0.496 56.871 56.400 -0.042 0.000 0.800 633 E CB -0.232 29.481 29.700 0.022 0.000 0.746 633 E HN 0.248 nan 8.360 nan 0.000 0.452 634 F N 0.979 120.784 119.950 -0.243 0.000 2.113 634 F HA -0.164 4.362 4.527 -0.001 0.000 0.297 634 F C 2.022 177.617 175.800 -0.342 0.000 1.103 634 F CA 1.061 58.908 58.000 -0.254 0.000 1.248 634 F CB -0.391 38.436 39.000 -0.290 0.000 0.999 634 F HN -0.057 nan 8.300 nan 0.000 0.475 635 F N 1.333 120.774 119.950 -0.848 0.000 2.161 635 F HA -0.205 4.321 4.527 -0.001 0.000 0.300 635 F C 2.475 177.954 175.800 -0.535 0.000 1.089 635 F CA 2.295 59.748 58.000 -0.912 0.000 1.282 635 F CB -0.547 37.786 39.000 -1.111 0.000 1.010 635 F HN -0.005 nan 8.300 nan 0.000 0.485 636 K N 0.363 120.580 120.400 -0.306 0.000 2.031 636 K HA -0.204 4.116 4.320 -0.001 0.000 0.205 636 K C 2.365 178.804 176.600 -0.268 0.000 1.049 636 K CA 1.455 57.603 56.287 -0.231 0.000 0.939 636 K CB -0.261 32.176 32.500 -0.105 0.000 0.717 636 K HN 0.198 nan 8.250 nan 0.000 0.438 637 K N -1.054 119.182 120.400 -0.273 0.000 2.057 637 K HA -0.130 4.189 4.320 -0.001 0.000 0.207 637 K C 1.169 177.611 176.600 -0.262 0.000 1.049 637 K CA 1.750 57.889 56.287 -0.247 0.000 0.931 637 K CB -0.022 32.332 32.500 -0.244 0.000 0.714 637 K HN 0.483 nan 8.250 nan 0.000 0.440 638 G N -0.688 107.833 108.800 -0.466 0.000 2.284 638 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.230 638 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.230 638 G C -0.055 174.719 174.900 -0.209 0.000 1.021 638 G CA 0.585 45.466 45.100 -0.366 0.000 0.619 638 G HN 0.522 nan 8.290 nan 0.000 0.510 639 Y N -2.146 118.038 120.300 -0.193 0.000 2.624 639 Y HA 0.764 5.314 4.550 -0.001 0.000 0.334 639 Y C -1.542 174.517 175.900 0.265 0.000 1.155 639 Y CA -2.329 55.807 58.100 0.061 0.000 1.046 639 Y CB 0.940 39.411 38.460 0.018 0.000 1.316 639 Y HN 0.701 nan 8.280 nan 0.000 0.457 640 F N 2.422 122.462 119.950 0.151 0.000 2.561 640 F HA 0.715 5.241 4.527 -0.001 0.000 0.313 640 F C -1.853 173.896 175.800 -0.085 0.000 1.126 640 F CA -1.367 56.609 58.000 -0.040 0.000 0.918 640 F CB 1.995 41.046 39.000 0.084 0.000 1.199 640 F HN 0.503 nan 8.300 nan 0.000 0.444 641 V N 6.853 126.228 119.914 -0.898 0.000 2.334 641 V HA 0.242 4.361 4.120 -0.001 0.000 0.267 641 V C -0.134 175.149 176.094 -1.352 0.000 1.040 641 V CA -0.823 60.946 62.300 -0.884 0.000 0.866 641 V CB 0.865 32.182 31.823 -0.844 0.000 1.019 641 V HN 0.603 nan 8.190 nan 0.000 0.468 642 V N 8.711 127.979 119.914 -1.077 0.000 2.617 642 V HA 0.066 4.185 4.120 -0.001 0.000 0.304 642 V C -1.730 173.967 176.094 -0.662 0.000 1.040 642 V CA -0.774 60.895 62.300 -1.053 0.000 1.149 642 V CB 0.434 31.788 31.823 -0.781 0.000 0.914 642 V HN 0.745 nan 8.190 nan 0.000 0.487 643 P HA 0.108 nan 4.420 nan 0.000 0.269 643 P C -0.451 176.774 177.300 -0.125 0.000 1.215 643 P CA -0.293 62.644 63.100 -0.273 0.000 0.780 643 P CB 0.419 32.025 31.700 -0.157 0.000 0.898 644 D N 1.043 121.433 120.400 -0.018 0.000 2.357 644 D HA 0.032 4.671 4.640 -0.001 0.000 0.242 644 D C -0.147 176.187 176.300 0.056 0.000 1.153 644 D CA 0.100 54.135 54.000 0.057 0.000 0.918 644 D CB 0.158 41.029 40.800 0.118 0.000 1.181 644 D HN 0.091 nan 8.370 nan 0.000 0.435 645 N N 2.509 121.244 118.700 0.057 0.000 2.904 645 N HA 0.286 5.025 4.740 -0.001 0.000 0.257 645 N C -2.220 173.323 175.510 0.055 0.000 1.363 645 N CA -1.868 51.221 53.050 0.065 0.000 0.856 645 N CB 1.114 39.642 38.487 0.069 0.000 1.166 645 N HN 0.166 nan 8.380 nan 0.000 0.499 646 P HA -0.053 nan 4.420 nan 0.000 0.216 646 P C 0.620 177.951 177.300 0.053 0.000 1.153 646 P CA 1.133 64.271 63.100 0.064 0.000 0.858 646 P CB 0.403 32.144 31.700 0.067 0.000 0.789 647 N N -0.575 118.157 118.700 0.054 0.000 2.467 647 N HA -0.022 4.717 4.740 -0.001 0.000 0.184 647 N C 0.720 176.260 175.510 0.049 0.000 1.106 647 N CA 0.187 53.266 53.050 0.049 0.000 0.892 647 N CB -0.379 38.137 38.487 0.048 0.000 0.969 647 N HN 0.380 nan 8.380 nan 0.000 0.454 648 R N 1.894 122.426 120.500 0.053 0.000 2.643 648 R HA 0.105 4.444 4.340 -0.001 0.000 0.270 648 R C 0.113 176.446 176.300 0.055 0.000 1.061 648 R CA -0.443 55.692 56.100 0.059 0.000 1.107 648 R CB 0.437 30.779 30.300 0.069 0.000 0.999 648 R HN 0.002 nan 8.270 nan 0.000 0.460 649 K N 2.099 122.535 120.400 0.059 0.000 2.270 649 K HA 0.165 4.484 4.320 -0.001 0.000 0.276 649 K C -0.703 175.943 176.600 0.076 0.000 1.023 649 K CA -0.738 55.585 56.287 0.059 0.000 0.955 649 K CB 0.796 33.327 32.500 0.051 0.000 0.975 649 K HN 0.322 nan 8.250 nan 0.000 0.471 650 K N 2.284 122.729 120.400 0.075 0.000 2.249 650 K HA 0.136 4.456 4.320 -0.001 0.000 0.280 650 K C -0.340 176.325 176.600 0.108 0.000 1.033 650 K CA -0.416 55.929 56.287 0.097 0.000 0.946 650 K CB 1.328 33.871 32.500 0.071 0.000 1.005 650 K HN 0.894 nan 8.250 nan 0.000 0.469 651 T N -1.657 112.981 114.554 0.140 0.000 3.064 651 T HA 0.288 4.637 4.350 -0.001 0.000 0.367 651 T C 0.044 174.850 174.700 0.176 0.000 1.202 651 T CA -0.853 61.328 62.100 0.136 0.000 1.133 651 T CB 0.164 69.081 68.868 0.081 0.000 1.074 651 T HN 0.099 nan 8.240 nan 0.000 0.519 652 V N 2.920 122.931 119.914 0.162 0.000 2.655 652 V HA 0.471 4.590 4.120 -0.001 0.000 0.300 652 V C 1.407 177.624 176.094 0.206 0.000 1.044 652 V CA -0.598 61.792 62.300 0.150 0.000 1.095 652 V CB 0.044 31.928 31.823 0.101 0.000 0.952 652 V HN 1.134 nan 8.190 nan 0.000 0.485 653 A N 5.096 128.035 122.820 0.198 0.000 2.580 653 A HA 0.285 4.604 4.320 -0.001 0.000 0.244 653 A C 1.116 178.802 177.584 0.170 0.000 1.045 653 A CA 0.301 52.480 52.037 0.237 0.000 0.761 653 A CB -0.704 18.378 19.000 0.136 0.000 0.962 653 A HN 1.301 nan 8.150 nan 0.000 0.512 654 L N -0.330 120.984 121.223 0.151 0.000 4.988 654 L HA -0.325 4.015 4.340 -0.001 0.000 0.439 654 L C 2.071 178.841 176.870 -0.167 0.000 1.080 654 L CA 1.377 56.117 54.840 -0.167 0.000 1.018 654 L CB -1.254 40.807 42.059 0.004 0.000 1.945 654 L HN 0.960 nan 8.230 nan 0.000 0.782 655 R N 1.093 121.607 120.500 0.024 0.000 2.092 655 R HA -0.173 4.166 4.340 -0.001 0.000 0.231 655 R C 2.254 178.592 176.300 0.064 0.000 1.119 655 R CA 2.152 58.295 56.100 0.072 0.000 0.970 655 R CB -0.253 30.125 30.300 0.130 0.000 0.864 655 R HN 0.754 nan 8.270 nan 0.000 0.440 656 W N -0.115 121.263 121.300 0.129 0.000 2.342 656 W HA -0.231 4.428 4.660 -0.001 0.000 0.297 656 W C 1.542 178.129 176.519 0.114 0.000 1.213 656 W CA 0.432 57.834 57.345 0.095 0.000 1.251 656 W CB -1.242 28.266 29.460 0.080 0.000 1.136 656 W HN 0.077 nan 8.180 nan 0.000 0.526 657 F N 2.846 122.298 119.950 -0.829 0.000 2.163 657 F HA 0.132 4.658 4.527 -0.001 0.000 0.297 657 F C 2.618 178.230 175.800 -0.315 0.000 1.094 657 F CA 2.405 59.955 58.000 -0.750 0.000 1.290 657 F CB -0.849 37.458 39.000 -1.155 0.000 1.017 657 F HN -0.102 nan 8.300 nan 0.000 0.483 658 A N 0.201 122.869 122.820 -0.255 0.000 1.908 658 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 658 A C 1.953 179.402 177.584 -0.225 0.000 1.181 658 A CA 1.907 53.865 52.037 -0.133 0.000 0.627 658 A CB -0.847 18.277 19.000 0.206 0.000 0.818 658 A HN 0.587 nan 8.150 nan 0.000 0.445 659 E N -1.114 119.012 120.200 -0.122 0.000 2.476 659 E HA 0.292 4.641 4.350 -0.001 0.000 0.191 659 E C 0.899 177.443 176.600 -0.093 0.000 1.064 659 E CA 0.138 56.493 56.400 -0.075 0.000 0.866 659 E CB -0.186 29.520 29.700 0.010 0.000 0.952 659 E HN 0.698 nan 8.360 nan 0.000 0.492 660 G N 2.880 111.572 108.800 -0.181 0.000 2.283 660 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.280 660 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.280 660 G C 0.182 175.091 174.900 0.015 0.000 1.029 660 G CA 1.050 46.075 45.100 -0.126 0.000 0.840 660 G HN 0.371 nan 8.290 nan 0.000 0.505 661 R N -1.427 119.140 120.500 0.112 0.000 2.943 661 R HA 0.743 5.082 4.340 -0.001 0.000 0.246 661 R C -0.398 176.040 176.300 0.230 0.000 1.201 661 R CA -1.110 55.071 56.100 0.136 0.000 1.056 661 R CB 0.969 31.333 30.300 0.107 0.000 1.243 661 R HN 0.087 nan 8.270 nan 0.000 0.498 662 E N 1.776 122.041 120.200 0.108 0.000 2.414 662 E HA -0.014 4.335 4.350 -0.001 0.000 0.263 662 E C -0.493 176.032 176.600 -0.126 0.000 1.000 662 E CA -0.091 56.311 56.400 0.004 0.000 0.914 662 E CB 0.525 30.189 29.700 -0.060 0.000 0.948 662 E HN 0.230 nan 8.360 nan 0.000 0.444 663 K N 3.273 123.345 120.400 -0.546 0.000 2.491 663 K HA -0.101 4.218 4.320 -0.001 0.000 0.279 663 K C -0.366 175.816 176.600 -0.697 0.000 1.026 663 K CA 0.424 55.891 56.287 -1.366 0.000 1.070 663 K CB 0.356 31.942 32.500 -1.523 0.000 0.887 663 K HN 0.644 nan 8.250 nan 0.000 0.481 664 D N 1.346 121.398 120.400 -0.581 0.000 2.520 664 D HA -0.027 4.612 4.640 -0.001 0.000 0.223 664 D C 0.426 176.599 176.300 -0.212 0.000 1.186 664 D CA -0.234 53.612 54.000 -0.256 0.000 0.821 664 D CB -0.093 40.661 40.800 -0.077 0.000 1.072 664 D HN 0.500 nan 8.370 nan 0.000 0.518 665 T N -1.977 112.406 114.554 -0.284 0.000 2.770 665 T HA 0.440 4.789 4.350 -0.001 0.000 0.281 665 T C -2.038 172.406 174.700 -0.427 0.000 0.981 665 T CA -1.251 60.654 62.100 -0.325 0.000 0.955 665 T CB 1.477 70.181 68.868 -0.274 0.000 1.060 665 T HN -0.315 nan 8.240 nan 0.000 0.531 666 P HA 0.255 nan 4.420 nan 0.000 0.257 666 P C -0.211 176.983 177.300 -0.177 0.000 1.325 666 P CA -0.174 62.689 63.100 -0.394 0.000 0.850 666 P CB -0.096 31.400 31.700 -0.339 0.000 1.324 667 D N -0.949 119.322 120.400 -0.215 0.000 2.419 667 D HA -0.090 4.549 4.640 -0.001 0.000 0.236 667 D C 0.216 176.611 176.300 0.159 0.000 1.165 667 D CA 0.114 54.218 54.000 0.174 0.000 0.882 667 D CB 0.414 41.389 40.800 0.292 0.000 1.201 667 D HN 0.024 nan 8.370 nan 0.000 0.443 668 W N 1.854 122.992 121.300 -0.270 0.000 3.377 668 W HA 0.376 5.035 4.660 -0.001 0.000 0.277 668 W C 0.844 176.809 176.519 -0.923 0.000 1.311 668 W CA -0.218 56.842 57.345 -0.475 0.000 1.703 668 W CB -0.466 28.664 29.460 -0.550 0.000 1.095 668 W HN 0.377 nan 8.180 nan 0.000 0.715 669 G N -0.583 107.473 108.800 -1.240 0.000 2.550 669 G HA2 0.437 4.396 3.960 -0.001 0.000 0.293 669 G HA3 0.437 4.396 3.960 -0.001 0.000 0.293 669 G C -3.094 171.000 174.900 -1.343 0.000 1.402 669 G CA -1.135 42.774 45.100 -1.985 0.000 0.784 669 G HN -0.423 nan 8.290 nan 0.000 0.482 670 P HA 0.263 nan 4.420 nan 0.000 0.274 670 P C -0.311 176.685 177.300 -0.506 0.000 1.237 670 P CA -0.312 62.307 63.100 -0.801 0.000 0.793 670 P CB 1.063 32.667 31.700 -0.159 0.000 0.977 671 R N 1.140 121.443 120.500 -0.329 0.000 2.643 671 R HA 0.119 4.458 4.340 -0.001 0.000 0.270 671 R C 1.835 178.040 176.300 -0.158 0.000 1.061 671 R CA -0.377 55.600 56.100 -0.206 0.000 1.107 671 R CB 0.035 30.272 30.300 -0.105 0.000 0.999 671 R HN 0.498 nan 8.270 nan 0.000 0.460 672 L N 2.103 123.238 121.223 -0.146 0.000 2.089 672 L HA -0.314 4.025 4.340 -0.001 0.000 0.213 672 L C 1.853 178.675 176.870 -0.080 0.000 1.079 672 L CA 2.258 57.026 54.840 -0.119 0.000 0.758 672 L CB -0.691 41.299 42.059 -0.115 0.000 0.891 672 L HN 0.761 nan 8.230 nan 0.000 0.433 673 N N -1.004 117.658 118.700 -0.064 0.000 2.512 673 N HA -0.174 4.565 4.740 -0.001 0.000 0.183 673 N C 1.072 176.567 175.510 -0.025 0.000 1.073 673 N CA 0.990 54.017 53.050 -0.038 0.000 0.911 673 N CB -0.382 38.089 38.487 -0.026 0.000 0.964 673 N HN 0.381 nan 8.380 nan 0.000 0.447 674 N N -0.818 117.863 118.700 -0.031 0.000 2.268 674 N HA 0.111 4.850 4.740 -0.001 0.000 0.204 674 N C -0.726 174.783 175.510 -0.003 0.000 1.124 674 N CA -0.087 52.956 53.050 -0.010 0.000 0.838 674 N CB 0.313 38.801 38.487 0.002 0.000 0.994 674 N HN 0.339 nan 8.380 nan 0.000 0.489 675 Q N -0.121 119.669 119.800 -0.016 0.000 2.456 675 Q HA 0.436 4.775 4.340 -0.001 0.000 0.283 675 Q C -1.278 174.720 176.000 -0.004 0.000 1.084 675 Q CA -0.829 54.974 55.803 -0.000 0.000 0.801 675 Q CB 2.975 31.701 28.738 -0.020 0.000 1.434 675 Q HN -0.108 nan 8.270 nan 0.000 0.419 676 V N 1.251 121.173 119.914 0.013 0.000 2.333 676 V HA 0.091 4.210 4.120 -0.001 0.000 0.274 676 V C 0.025 176.120 176.094 0.002 0.000 1.028 676 V CA -0.307 61.996 62.300 0.006 0.000 0.851 676 V CB 0.862 32.694 31.823 0.016 0.000 1.000 676 V HN 1.075 nan 8.190 nan 0.000 0.456 677 C N 5.418 124.709 119.300 -0.015 0.000 4.365 677 C HA -0.157 4.302 4.460 -0.001 0.000 0.299 677 C C 1.385 176.357 174.990 -0.031 0.000 1.409 677 C CA 0.811 59.815 59.018 -0.023 0.000 2.007 677 C CB -2.415 25.318 27.740 -0.012 0.000 1.264 677 C HN 1.187 nan 8.230 nan 0.000 0.777 678 R N -1.912 118.560 120.500 -0.047 0.000 3.405 678 R HA -0.235 4.104 4.340 -0.001 0.000 0.258 678 R C -0.443 175.828 176.300 -0.048 0.000 1.030 678 R CA 1.663 57.713 56.100 -0.082 0.000 0.691 678 R CB -1.847 28.371 30.300 -0.137 0.000 1.093 678 R HN 0.770 nan 8.270 nan 0.000 0.448 679 K N 0.278 120.705 120.400 0.045 0.000 2.340 679 K HA 0.702 5.022 4.320 -0.001 0.000 0.244 679 K C 0.391 177.146 176.600 0.259 0.000 0.973 679 K CA -0.400 55.989 56.287 0.170 0.000 0.828 679 K CB 2.138 34.711 32.500 0.122 0.000 1.226 679 K HN 0.373 nan 8.250 nan 0.000 0.437 680 G N 0.788 109.870 108.800 0.470 0.000 2.781 680 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.683 680 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.683 680 G C -0.488 174.662 174.900 0.418 0.000 1.390 680 G CA -0.921 44.444 45.100 0.442 0.000 0.850 680 G HN 0.407 nan 8.290 nan 0.000 0.557 681 L N 0.241 121.606 121.223 0.236 0.000 2.475 681 L HA 0.273 4.612 4.340 -0.001 0.000 0.250 681 L C 2.285 179.191 176.870 0.059 0.000 1.224 681 L CA 0.347 55.203 54.840 0.028 0.000 0.821 681 L CB 0.493 42.444 42.059 -0.180 0.000 1.141 681 L HN 0.897 nan 8.230 nan 0.000 0.494 682 Q N 0.240 120.053 119.800 0.022 0.000 2.364 682 Q HA -0.074 4.265 4.340 -0.001 0.000 0.207 682 Q C 0.492 176.510 176.000 0.030 0.000 0.970 682 Q CA 0.732 56.571 55.803 0.061 0.000 0.888 682 Q CB -0.003 28.824 28.738 0.149 0.000 0.951 682 Q HN 0.830 nan 8.270 nan 0.000 0.469 683 T N -2.228 112.338 114.554 0.020 0.000 2.855 683 T HA 0.021 4.370 4.350 -0.001 0.000 0.314 683 T C 1.037 175.750 174.700 0.021 0.000 1.077 683 T CA 0.173 62.288 62.100 0.025 0.000 1.095 683 T CB 1.068 69.960 68.868 0.040 0.000 0.987 683 T HN 0.049 nan 8.240 nan 0.000 0.546 684 T N 1.794 116.352 114.554 0.006 0.000 2.635 684 T HA -0.181 4.168 4.350 -0.001 0.000 0.267 684 T C 2.305 176.995 174.700 -0.016 0.000 1.040 684 T CA 2.380 64.477 62.100 -0.006 0.000 1.156 684 T CB -0.996 67.862 68.868 -0.017 0.000 0.863 684 T HN 1.005 nan 8.240 nan 0.000 0.430 685 T N -1.280 113.242 114.554 -0.053 0.000 3.023 685 T HA 0.275 4.624 4.350 -0.001 0.000 0.266 685 T C 1.821 176.544 174.700 0.038 0.000 1.093 685 T CA 1.176 63.248 62.100 -0.047 0.000 1.129 685 T CB -0.345 68.431 68.868 -0.155 0.000 0.899 685 T HN 0.632 nan 8.240 nan 0.000 0.491 686 G N 1.036 109.877 108.800 0.067 0.000 2.157 686 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.248 686 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.248 686 G C -0.020 175.019 174.900 0.232 0.000 0.979 686 G CA 0.412 45.592 45.100 0.133 0.000 0.650 686 G HN 0.723 nan 8.290 nan 0.000 0.529 687 K N -0.930 119.593 120.400 0.204 0.000 2.316 687 K HA 0.716 5.035 4.320 -0.001 0.000 0.234 687 K C -0.008 176.747 176.600 0.259 0.000 1.054 687 K CA -1.002 55.473 56.287 0.313 0.000 0.879 687 K CB 1.996 34.659 32.500 0.271 0.000 1.252 687 K HN 0.005 nan 8.250 nan 0.000 0.471 688 V N 2.416 122.527 119.914 0.328 0.000 2.427 688 V HA 0.042 4.161 4.120 -0.001 0.000 0.268 688 V C -0.320 175.910 176.094 0.226 0.000 1.046 688 V CA 0.036 62.457 62.300 0.201 0.000 0.970 688 V CB 0.309 32.255 31.823 0.205 0.000 1.001 688 V HN 0.581 nan 8.190 nan 0.000 0.476 689 E N 4.682 124.954 120.200 0.120 0.000 2.014 689 E HA 0.238 4.587 4.350 -0.001 0.000 0.275 689 E C -0.104 176.534 176.600 0.064 0.000 0.997 689 E CA -0.251 56.288 56.400 0.231 0.000 0.804 689 E CB 0.638 30.465 29.700 0.212 0.000 1.090 689 E HN 0.607 nan 8.360 nan 0.000 0.401 690 F N 1.503 121.486 119.950 0.054 0.000 2.365 690 F HA 0.019 4.545 4.527 -0.001 0.000 0.300 690 F C 1.056 176.881 175.800 0.042 0.000 1.090 690 F CA 0.666 58.609 58.000 -0.095 0.000 1.408 690 F CB 0.221 39.089 39.000 -0.219 0.000 1.060 690 F HN 0.341 nan 8.300 nan 0.000 0.534 691 I N 0.542 121.280 120.570 0.279 0.000 2.464 691 I HA 0.315 4.484 4.170 -0.001 0.000 0.277 691 I C -0.124 176.140 176.117 0.245 0.000 1.040 691 I CA -0.865 60.573 61.300 0.229 0.000 1.153 691 I CB 0.838 38.959 38.000 0.201 0.000 1.274 691 I HN -0.178 nan 8.210 nan 0.000 0.469 692 A N 4.076 126.996 122.820 0.166 0.000 2.484 692 A HA 0.215 4.534 4.320 -0.001 0.000 0.268 692 A C 1.561 179.229 177.584 0.140 0.000 1.114 692 A CA 0.167 52.291 52.037 0.146 0.000 0.780 692 A CB 0.020 19.092 19.000 0.120 0.000 1.061 692 A HN 0.856 nan 8.150 nan 0.000 0.505 693 T N 0.759 115.391 114.554 0.130 0.000 2.788 693 T HA -0.226 4.123 4.350 -0.001 0.000 0.268 693 T C 1.992 176.748 174.700 0.093 0.000 1.044 693 T CA 1.889 64.052 62.100 0.104 0.000 1.139 693 T CB -0.771 68.121 68.868 0.041 0.000 0.867 693 T HN 1.072 nan 8.240 nan 0.000 0.454 694 S N 2.432 118.190 115.700 0.095 0.000 2.356 694 S HA -0.017 4.452 4.470 -0.001 0.000 0.223 694 S C 2.130 176.769 174.600 0.064 0.000 1.032 694 S CA 1.148 59.406 58.200 0.096 0.000 1.005 694 S CB -1.048 62.248 63.200 0.160 0.000 0.867 694 S HN 0.515 nan 8.310 nan 0.000 0.449 695 L N 1.229 122.456 121.223 0.006 0.000 2.156 695 L HA 0.029 4.368 4.340 -0.001 0.000 0.208 695 L C 2.930 179.873 176.870 0.122 0.000 1.095 695 L CA 1.336 56.173 54.840 -0.005 0.000 0.770 695 L CB -0.443 41.559 42.059 -0.094 0.000 0.914 695 L HN 0.367 nan 8.230 nan 0.000 0.439 696 K N 0.590 121.055 120.400 0.108 0.000 2.147 696 K HA -0.176 4.143 4.320 -0.001 0.000 0.205 696 K C 1.684 178.354 176.600 0.116 0.000 1.049 696 K CA 1.499 57.852 56.287 0.111 0.000 0.936 696 K CB -0.028 32.539 32.500 0.112 0.000 0.722 696 K HN 0.447 nan 8.250 nan 0.000 0.446 697 N N -0.430 118.346 118.700 0.127 0.000 2.106 697 N HA -0.150 4.589 4.740 -0.001 0.000 0.188 697 N C 1.706 177.325 175.510 0.182 0.000 1.029 697 N CA 0.859 53.987 53.050 0.130 0.000 0.848 697 N CB -0.154 38.406 38.487 0.121 0.000 1.007 697 N HN 0.063 nan 8.380 nan 0.000 0.423 698 F N 2.763 122.723 119.950 0.018 0.000 2.069 698 F HA -0.196 4.331 4.527 -0.001 0.000 0.298 698 F C 2.357 178.214 175.800 0.094 0.000 1.113 698 F CA 1.587 59.596 58.000 0.016 0.000 1.214 698 F CB -0.387 38.560 39.000 -0.087 0.000 0.978 698 F HN 0.135 nan 8.300 nan 0.000 0.474 699 E N -0.630 119.635 120.200 0.109 0.000 2.150 699 E HA -0.203 4.147 4.350 -0.001 0.000 0.193 699 E C 1.802 178.391 176.600 -0.019 0.000 0.985 699 E CA 1.494 57.896 56.400 0.004 0.000 0.814 699 E CB -0.759 28.982 29.700 0.068 0.000 0.752 699 E HN 0.563 nan 8.360 nan 0.000 0.466 700 E N 0.830 121.043 120.200 0.023 0.000 2.274 700 E HA -0.111 4.238 4.350 -0.001 0.000 0.194 700 E C 1.783 178.371 176.600 -0.019 0.000 0.996 700 E CA 0.547 56.952 56.400 0.008 0.000 0.840 700 E CB 0.050 29.771 29.700 0.035 0.000 0.772 700 E HN 0.381 nan 8.360 nan 0.000 0.491 701 Q N -0.696 119.096 119.800 -0.013 0.000 2.444 701 Q HA 0.040 4.379 4.340 -0.001 0.000 0.206 701 Q C 0.968 176.844 176.000 -0.206 0.000 0.948 701 Q CA 0.537 56.320 55.803 -0.033 0.000 0.946 701 Q CB 0.736 29.536 28.738 0.103 0.000 1.027 701 Q HN 0.389 nan 8.270 nan 0.000 0.513 702 G N -0.307 108.344 108.800 -0.248 0.000 2.184 702 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.206 702 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.206 702 G C -0.380 174.204 174.900 -0.526 0.000 0.995 702 G CA -0.599 44.282 45.100 -0.366 0.000 0.651 702 G HN 0.335 nan 8.290 nan 0.000 0.511 703 Y N 2.087 122.070 120.300 -0.527 0.000 2.724 703 Y HA 0.452 5.002 4.550 -0.001 0.000 0.332 703 Y C 0.982 176.689 175.900 -0.322 0.000 1.276 703 Y CA -1.049 56.609 58.100 -0.737 0.000 1.597 703 Y CB 0.137 37.339 38.460 -2.098 0.000 1.584 703 Y HN 0.068 nan 8.280 nan 0.000 0.478 704 I N 2.606 123.195 120.570 0.032 0.000 2.517 704 I HA 0.003 4.172 4.170 -0.001 0.000 0.285 704 I C 0.131 176.401 176.117 0.255 0.000 1.106 704 I CA 0.175 61.540 61.300 0.108 0.000 1.402 704 I CB 0.352 38.381 38.000 0.048 0.000 1.399 704 I HN 0.480 nan 8.210 nan 0.000 0.535 705 D N 5.633 126.186 120.400 0.254 0.000 2.330 705 D HA 0.075 4.714 4.640 -0.001 0.000 0.249 705 D C 0.898 177.315 176.300 0.195 0.000 1.306 705 D CA -0.344 53.827 54.000 0.283 0.000 0.956 705 D CB 0.810 41.899 40.800 0.480 0.000 1.261 705 D HN 0.640 nan 8.370 nan 0.000 0.544 706 E N 1.609 121.894 120.200 0.141 0.000 2.171 706 E HA -0.251 4.098 4.350 -0.001 0.000 0.197 706 E C 0.219 176.794 176.600 -0.041 0.000 0.997 706 E CA 1.243 57.668 56.400 0.042 0.000 0.810 706 E CB 0.132 29.840 29.700 0.013 0.000 0.738 706 E HN 0.504 nan 8.360 nan 0.000 0.467 707 H N -0.850 118.290 119.070 0.117 0.000 2.538 707 H HA 0.263 4.818 4.556 -0.001 0.000 0.286 707 H C 0.129 175.550 175.328 0.155 0.000 1.035 707 H CA 0.281 56.418 56.048 0.149 0.000 1.169 707 H CB 0.347 30.229 29.762 0.200 0.000 1.417 707 H HN -0.100 nan 8.280 nan 0.000 0.567 708 R N 1.352 121.976 120.500 0.207 0.000 2.640 708 R HA 0.140 4.479 4.340 -0.001 0.000 0.240 708 R C -3.140 173.248 176.300 0.147 0.000 1.519 708 R CA -1.456 54.757 56.100 0.189 0.000 1.570 708 R CB 0.596 31.033 30.300 0.230 0.000 1.446 708 R HN 0.114 nan 8.270 nan 0.000 0.738 709 P HA 0.032 nan 4.420 nan 0.000 0.272 709 P C 0.652 178.005 177.300 0.089 0.000 1.223 709 P CA 0.106 63.256 63.100 0.082 0.000 0.784 709 P CB 1.429 33.151 31.700 0.038 0.000 0.923 710 S N 2.237 117.988 115.700 0.085 0.000 2.399 710 S HA -0.111 4.358 4.470 -0.001 0.000 0.231 710 S C 1.123 175.789 174.600 0.110 0.000 1.022 710 S CA 0.612 58.865 58.200 0.089 0.000 0.983 710 S CB -0.492 62.766 63.200 0.096 0.000 0.803 710 S HN 0.593 nan 8.310 nan 0.000 0.480 711 M N 2.609 122.275 119.600 0.110 0.000 2.157 711 M HA 0.272 4.751 4.480 -0.001 0.000 0.354 711 M C -0.486 175.931 176.300 0.196 0.000 1.170 711 M CA -0.687 54.708 55.300 0.159 0.000 1.060 711 M CB 0.847 33.521 32.600 0.124 0.000 1.615 711 M HN 0.324 nan 8.290 nan 0.000 0.460 712 H N 4.493 123.675 119.070 0.186 0.000 3.138 712 H HA 0.223 4.778 4.556 -0.001 0.000 0.275 712 H C -0.872 174.785 175.328 0.547 0.000 0.997 712 H CA 0.864 57.072 56.048 0.268 0.000 1.460 712 H CB 0.044 29.870 29.762 0.106 0.000 1.524 712 H HN 0.740 nan 8.280 nan 0.000 0.532 713 T N 1.520 116.148 114.554 0.123 0.000 2.831 713 T HA 0.171 4.520 4.350 -0.001 0.000 0.287 713 T C -0.663 174.136 174.700 0.166 0.000 1.070 713 T CA -1.017 60.982 62.100 -0.169 0.000 1.010 713 T CB 0.581 69.061 68.868 -0.648 0.000 1.264 713 T HN 0.454 nan 8.240 nan 0.000 0.532 714 Y N 1.874 122.105 120.300 -0.115 0.000 2.632 714 Y HA 0.488 5.037 4.550 -0.001 0.000 0.336 714 Y C -0.430 175.584 175.900 0.189 0.000 1.237 714 Y CA -1.038 57.139 58.100 0.129 0.000 1.595 714 Y CB -0.616 37.811 38.460 -0.055 0.000 1.508 714 Y HN 0.477 nan 8.280 nan 0.000 0.480 715 V N 8.403 128.307 119.914 -0.017 0.000 2.405 715 V HA 0.186 4.305 4.120 -0.001 0.000 0.264 715 V C -1.971 173.992 176.094 -0.218 0.000 1.048 715 V CA -1.925 60.319 62.300 -0.094 0.000 0.966 715 V CB 0.337 32.153 31.823 -0.012 0.000 1.015 715 V HN 0.630 nan 8.190 nan 0.000 0.477 716 P HA 0.103 nan 4.420 nan 0.000 0.264 716 P C -0.048 177.196 177.300 -0.093 0.000 1.193 716 P CA 0.158 62.979 63.100 -0.464 0.000 0.763 716 P CB 0.457 31.701 31.700 -0.759 0.000 0.810 717 A N 5.256 128.075 122.820 -0.001 0.000 2.522 717 A HA -0.002 4.318 4.320 -0.001 0.000 0.256 717 A C 1.347 178.976 177.584 0.075 0.000 1.086 717 A CA -0.451 51.589 52.037 0.004 0.000 0.763 717 A CB -0.449 18.522 19.000 -0.048 0.000 1.024 717 A HN 0.842 nan 8.150 nan 0.000 0.502 718 W N 1.836 123.217 121.300 0.136 0.000 2.538 718 W HA 0.002 4.661 4.660 -0.001 0.000 0.254 718 W C 0.166 176.732 176.519 0.079 0.000 1.249 718 W CA 0.777 58.180 57.345 0.097 0.000 1.253 718 W CB -0.203 29.227 29.460 -0.051 0.000 1.130 718 W HN 0.747 nan 8.180 nan 0.000 0.618 719 E N 2.097 122.273 120.200 -0.040 0.000 3.374 719 E HA 0.206 4.555 4.350 -0.001 0.000 0.223 719 E C -0.540 176.030 176.600 -0.050 0.000 1.210 719 E CA -0.171 56.238 56.400 0.014 0.000 0.987 719 E CB 0.362 30.013 29.700 -0.081 0.000 1.322 719 E HN 0.061 nan 8.360 nan 0.000 0.404 720 S N 0.937 116.663 115.700 0.043 0.000 2.709 720 S HA 0.297 4.766 4.470 -0.001 0.000 0.302 720 S C 0.918 175.534 174.600 0.027 0.000 1.127 720 S CA -0.770 57.446 58.200 0.026 0.000 0.905 720 S CB 1.535 64.795 63.200 0.099 0.000 1.151 720 S HN 0.355 nan 8.310 nan 0.000 0.510 721 Q N 0.577 120.367 119.800 -0.017 0.000 2.123 721 Q HA -0.041 4.298 4.340 -0.001 0.000 0.199 721 Q C 1.662 177.613 176.000 -0.082 0.000 0.966 721 Q CA 1.379 57.160 55.803 -0.038 0.000 0.845 721 Q CB -0.278 28.430 28.738 -0.050 0.000 0.907 721 Q HN 0.851 nan 8.270 nan 0.000 0.439 722 K N -1.022 119.266 120.400 -0.186 0.000 2.358 722 K HA 0.056 4.375 4.320 -0.001 0.000 0.197 722 K C 0.755 177.116 176.600 -0.399 0.000 1.025 722 K CA 0.348 56.447 56.287 -0.314 0.000 1.104 722 K CB 0.476 32.724 32.500 -0.420 0.000 0.855 722 K HN 0.166 nan 8.250 nan 0.000 0.531 723 H N -0.238 118.869 119.070 0.062 0.000 2.986 723 H HA 0.181 4.736 4.556 -0.001 0.000 0.267 723 H C -0.280 175.115 175.328 0.110 0.000 1.072 723 H CA -0.150 55.955 56.048 0.094 0.000 1.202 723 H CB 1.182 31.015 29.762 0.119 0.000 1.535 723 H HN 0.115 nan 8.280 nan 0.000 0.522 724 S N 1.434 117.238 115.700 0.172 0.000 2.454 724 S HA 0.286 4.755 4.470 -0.001 0.000 0.306 724 S C -1.814 172.849 174.600 0.105 0.000 1.100 724 S CA -1.520 56.778 58.200 0.162 0.000 1.087 724 S CB 1.779 65.086 63.200 0.178 0.000 1.019 724 S HN -0.134 nan 8.310 nan 0.000 0.480 725 P HA -0.048 nan 4.420 nan 0.000 0.219 725 P C 1.174 178.502 177.300 0.047 0.000 1.146 725 P CA 0.512 63.649 63.100 0.062 0.000 0.808 725 P CB 0.116 31.853 31.700 0.062 0.000 0.779 726 L N -0.423 120.852 121.223 0.086 0.000 2.191 726 L HA -0.113 4.226 4.340 -0.001 0.000 0.212 726 L C 2.324 179.224 176.870 0.051 0.000 1.103 726 L CA 1.537 56.441 54.840 0.108 0.000 0.769 726 L CB -1.886 40.304 42.059 0.218 0.000 0.908 726 L HN -0.065 nan 8.230 nan 0.000 0.438 727 A N -1.130 121.718 122.820 0.046 0.000 2.131 727 A HA -0.138 4.182 4.320 -0.001 0.000 0.220 727 A C 2.360 179.917 177.584 -0.046 0.000 1.158 727 A CA 1.553 53.599 52.037 0.014 0.000 0.665 727 A CB -0.691 18.313 19.000 0.006 0.000 0.795 727 A HN 0.246 nan 8.150 nan 0.000 0.460 728 V N -0.210 119.661 119.914 -0.071 0.000 2.307 728 V HA -0.245 3.874 4.120 -0.001 0.000 0.245 728 V C 2.407 178.395 176.094 -0.176 0.000 1.045 728 V CA 2.366 64.609 62.300 -0.095 0.000 1.024 728 V CB -0.550 31.228 31.823 -0.075 0.000 0.651 728 V HN 0.559 nan 8.190 nan 0.000 0.449 729 K N -1.050 119.142 120.400 -0.347 0.000 2.137 729 K HA 0.016 4.335 4.320 -0.001 0.000 0.202 729 K C -0.041 176.132 176.600 -0.711 0.000 1.052 729 K CA 0.804 56.704 56.287 -0.644 0.000 0.961 729 K CB 0.110 31.928 32.500 -1.136 0.000 0.741 729 K HN 0.474 nan 8.250 nan 0.000 0.452 730 Y N 0.843 121.112 120.300 -0.051 0.000 2.863 730 Y HA 0.218 4.767 4.550 -0.001 0.000 0.348 730 Y C -2.025 173.831 175.900 -0.072 0.000 1.028 730 Y CA -3.048 54.989 58.100 -0.105 0.000 1.213 730 Y CB 0.794 39.182 38.460 -0.120 0.000 1.120 730 Y HN 0.007 nan 8.280 nan 0.000 0.598 731 P HA -0.072 nan 4.420 nan 0.000 0.229 731 P C 0.068 177.369 177.300 0.000 0.000 1.160 731 P CA 0.866 63.965 63.100 -0.001 0.000 0.777 731 P CB 0.942 32.632 31.700 -0.018 0.000 0.814 732 L N 0.295 121.520 121.223 0.003 0.000 2.305 732 L HA 0.436 4.775 4.340 -0.001 0.000 0.281 732 L C 1.077 177.939 176.870 -0.014 0.000 1.085 732 L CA -0.710 54.124 54.840 -0.010 0.000 0.813 732 L CB 0.968 43.016 42.059 -0.019 0.000 1.157 732 L HN -0.101 nan 8.230 nan 0.000 0.436 733 G N 4.297 113.087 108.800 -0.017 0.000 2.327 733 G HA2 0.483 4.442 3.960 -0.001 0.000 0.302 733 G HA3 0.483 4.442 3.960 -0.001 0.000 0.302 733 G C -0.599 174.287 174.900 -0.024 0.000 1.113 733 G CA -0.460 44.627 45.100 -0.023 0.000 0.921 733 G HN 0.566 nan 8.290 nan 0.000 0.425 734 M N 4.043 123.619 119.600 -0.039 0.000 2.294 734 M HA 0.684 5.163 4.480 -0.001 0.000 0.335 734 M C -0.873 175.395 176.300 -0.054 0.000 1.079 734 M CA -0.994 54.277 55.300 -0.049 0.000 0.982 734 M CB 1.610 34.170 32.600 -0.066 0.000 1.651 734 M HN 0.473 nan 8.290 nan 0.000 0.437 735 L N 2.863 124.048 121.223 -0.063 0.000 2.346 735 L HA 0.867 5.206 4.340 -0.001 0.000 0.274 735 L C -0.901 175.866 176.870 -0.173 0.000 1.007 735 L CA -0.573 54.228 54.840 -0.065 0.000 0.818 735 L CB 2.188 44.249 42.059 0.003 0.000 1.284 735 L HN 0.778 nan 8.230 nan 0.000 0.424 736 S N 0.809 116.439 115.700 -0.116 0.000 2.216 736 S HA 0.546 5.015 4.470 -0.001 0.000 0.156 736 S C -2.640 171.989 174.600 0.047 0.000 1.665 736 S CA -1.045 57.083 58.200 -0.122 0.000 1.262 736 S CB 0.396 63.566 63.200 -0.050 0.000 1.207 736 S HN 0.548 nan 8.310 nan 0.000 0.427 737 P HA 0.150 nan 4.420 nan 0.000 0.280 737 P C -0.114 177.488 177.300 0.502 0.000 1.278 737 P CA -0.300 62.996 63.100 0.327 0.000 0.787 737 P CB 0.249 32.174 31.700 0.375 0.000 1.163 738 H N 0.274 119.424 119.070 0.133 0.000 2.652 738 H HA 0.130 4.685 4.556 -0.001 0.000 0.349 738 H C -1.679 173.444 175.328 -0.341 0.000 1.099 738 H CA -1.861 54.147 56.048 -0.066 0.000 1.417 738 H CB -0.150 29.468 29.762 -0.240 0.000 1.457 738 H HN 0.347 nan 8.280 nan 0.000 0.568 739 P HA -0.078 nan 4.420 nan 0.000 0.264 739 P C 0.558 177.457 177.300 -0.669 0.000 1.193 739 P CA -0.025 62.737 63.100 -0.563 0.000 0.763 739 P CB 1.151 32.859 31.700 0.014 0.000 0.810 740 R N 3.962 123.852 120.500 -1.016 0.000 2.075 740 R HA -0.050 4.289 4.340 -0.001 0.000 0.232 740 R C 1.095 176.960 176.300 -0.725 0.000 1.126 740 R CA 1.783 57.380 56.100 -0.838 0.000 0.963 740 R CB -1.061 28.612 30.300 -1.045 0.000 0.858 740 R HN 0.445 nan 8.270 nan 0.000 0.435 741 F N -0.198 119.705 119.950 -0.078 0.000 2.730 741 F HA 0.432 4.958 4.527 -0.001 0.000 0.295 741 F C 0.074 175.871 175.800 -0.005 0.000 1.143 741 F CA -0.266 57.699 58.000 -0.059 0.000 1.367 741 F CB 0.533 39.399 39.000 -0.224 0.000 0.970 741 F HN -0.068 nan 8.300 nan 0.000 0.514 742 S N 0.639 116.411 115.700 0.121 0.000 2.537 742 S HA 0.401 4.870 4.470 -0.001 0.000 0.271 742 S C -1.018 173.215 174.600 -0.612 0.000 1.148 742 S CA -0.711 57.411 58.200 -0.130 0.000 0.868 742 S CB 1.157 64.336 63.200 -0.035 0.000 1.115 742 S HN 0.022 nan 8.310 nan 0.000 0.461 743 M N 5.664 124.619 119.600 -1.074 0.000 2.725 743 M HA 0.310 4.790 4.480 -0.001 0.000 0.322 743 M C 0.427 176.502 176.300 -0.374 0.000 1.393 743 M CA 0.881 55.642 55.300 -0.899 0.000 1.452 743 M CB -2.003 30.116 32.600 -0.802 0.000 1.242 743 M HN 0.943 nan 8.290 nan 0.000 0.487 744 H N 0.265 119.170 119.070 -0.274 0.000 1.452 744 H HA -0.259 4.296 4.556 -0.001 0.000 0.090 744 H C 1.224 176.472 175.328 -0.133 0.000 0.789 744 H CA 2.474 58.410 56.048 -0.186 0.000 1.901 744 H CB -1.416 28.249 29.762 -0.162 0.000 2.257 744 H HN 0.610 nan 8.280 nan 0.000 0.961 745 T N 0.293 114.873 114.554 0.043 0.000 3.072 745 T HA 0.090 4.439 4.350 -0.001 0.000 0.266 745 T C 1.352 175.979 174.700 -0.121 0.000 1.127 745 T CA 1.198 63.268 62.100 -0.050 0.000 1.107 745 T CB -0.177 68.645 68.868 -0.077 0.000 0.910 745 T HN 0.281 nan 8.240 nan 0.000 0.513 746 M N 1.983 121.517 119.600 -0.110 0.000 3.011 746 M HA 0.483 4.962 4.480 -0.001 0.000 0.292 746 M C 1.262 177.446 176.300 -0.193 0.000 1.440 746 M CA 0.050 55.247 55.300 -0.171 0.000 1.552 746 M CB 0.267 32.867 32.600 -0.001 0.000 1.187 746 M HN 0.541 nan 8.290 nan 0.000 0.520 747 G N 0.681 109.334 108.800 -0.244 0.000 4.203 747 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.197 747 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.197 747 G C -0.253 174.546 174.900 -0.169 0.000 1.112 747 G CA -0.597 44.407 45.100 -0.160 0.000 0.856 747 G HN 0.523 nan 8.290 nan 0.000 0.317 748 D N 0.945 121.307 120.400 -0.063 0.000 2.361 748 D HA 0.469 5.108 4.640 -0.001 0.000 0.239 748 D C 1.458 177.730 176.300 -0.046 0.000 1.200 748 D CA 2.094 56.167 54.000 0.121 0.000 0.915 748 D CB 0.433 41.464 40.800 0.385 0.000 1.170 748 D HN 1.353 nan 8.370 nan 0.000 0.444 749 G N 1.672 110.476 108.800 0.006 0.000 2.581 749 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.291 749 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.291 749 G C 0.263 175.045 174.900 -0.198 0.000 1.277 749 G CA 0.624 45.661 45.100 -0.104 0.000 0.959 749 G HN 0.907 nan 8.290 nan 0.000 0.554 750 K N -1.055 119.224 120.400 -0.202 0.000 3.274 750 K HA -0.333 3.986 4.320 -0.001 0.000 0.305 750 K C 0.808 177.319 176.600 -0.148 0.000 1.225 750 K CA 1.348 57.500 56.287 -0.225 0.000 0.904 750 K CB -1.358 30.808 32.500 -0.556 0.000 1.227 750 K HN 1.814 nan 8.250 nan 0.000 0.453 751 N N -0.252 118.371 118.700 -0.129 0.000 2.725 751 N HA -0.193 4.546 4.740 -0.001 0.000 0.249 751 N C -0.236 175.203 175.510 -0.120 0.000 1.103 751 N CA 1.087 54.078 53.050 -0.099 0.000 0.707 751 N CB -0.759 37.715 38.487 -0.022 0.000 1.043 751 N HN 0.603 nan 8.380 nan 0.000 0.553 752 S N -1.394 114.187 115.700 -0.199 0.000 2.624 752 S HA 0.251 4.720 4.470 -0.001 0.000 0.263 752 S C 1.288 175.842 174.600 -0.076 0.000 1.287 752 S CA -0.340 57.713 58.200 -0.246 0.000 0.990 752 S CB 0.464 63.492 63.200 -0.287 0.000 0.950 752 S HN 0.176 nan 8.310 nan 0.000 0.561 753 Y N 0.274 120.587 120.300 0.022 0.000 2.352 753 Y HA 0.004 4.553 4.550 -0.001 0.000 0.292 753 Y C 2.293 178.215 175.900 0.036 0.000 1.136 753 Y CA 0.483 58.680 58.100 0.162 0.000 1.227 753 Y CB -1.211 37.312 38.460 0.105 0.000 0.991 753 Y HN 0.496 nan 8.280 nan 0.000 0.545 754 M N 0.073 119.699 119.600 0.042 0.000 2.346 754 M HA -0.192 4.287 4.480 -0.001 0.000 0.263 754 M C 1.502 177.698 176.300 -0.174 0.000 1.064 754 M CA 1.168 56.397 55.300 -0.118 0.000 1.083 754 M CB -0.619 31.858 32.600 -0.206 0.000 1.399 754 M HN 0.168 nan 8.290 nan 0.000 0.435 755 N N -1.058 117.527 118.700 -0.192 0.000 2.512 755 N HA -0.099 4.640 4.740 -0.001 0.000 0.183 755 N C 0.894 176.199 175.510 -0.343 0.000 1.073 755 N CA 1.053 53.979 53.050 -0.206 0.000 0.911 755 N CB -0.093 38.160 38.487 -0.388 0.000 0.964 755 N HN 0.522 nan 8.380 nan 0.000 0.447 756 Y N 0.617 120.917 120.300 0.000 0.000 2.466 756 Y HA 0.287 4.836 4.550 -0.001 0.000 0.272 756 Y C 0.961 176.805 175.900 -0.093 0.000 1.169 756 Y CA -0.425 57.655 58.100 -0.034 0.000 1.285 756 Y CB 0.242 38.682 38.460 -0.033 0.000 1.078 756 Y HN -0.117 nan 8.280 nan 0.000 0.523 757 I N 1.509 122.033 120.570 -0.077 0.000 2.618 757 I HA -0.098 4.071 4.170 -0.001 0.000 0.284 757 I C 1.213 177.213 176.117 -0.194 0.000 1.146 757 I CA 0.271 61.415 61.300 -0.260 0.000 1.425 757 I CB 1.083 38.677 38.000 -0.677 0.000 1.383 757 I HN 0.235 nan 8.210 nan 0.000 0.562 758 K N 3.239 123.545 120.400 -0.156 0.000 2.074 758 K HA -0.228 4.092 4.320 -0.001 0.000 0.209 758 K C 0.914 177.482 176.600 -0.054 0.000 1.048 758 K CA 1.690 57.931 56.287 -0.077 0.000 0.926 758 K CB -0.091 32.377 32.500 -0.054 0.000 0.713 758 K HN 0.575 nan 8.250 nan 0.000 0.444 759 D N -0.828 119.537 120.400 -0.057 0.000 2.395 759 D HA -0.018 4.621 4.640 -0.001 0.000 0.226 759 D C 0.941 177.381 176.300 0.233 0.000 1.146 759 D CA 0.225 54.297 54.000 0.121 0.000 0.830 759 D CB 0.257 41.238 40.800 0.301 0.000 0.958 759 D HN 0.230 nan 8.370 nan 0.000 0.501 760 H N -0.646 118.379 119.070 -0.075 0.000 2.338 760 H HA 0.440 4.995 4.556 -0.001 0.000 0.291 760 H C -0.014 175.204 175.328 -0.185 0.000 0.989 760 H CA 0.587 56.602 56.048 -0.054 0.000 1.281 760 H CB 0.617 30.311 29.762 -0.113 0.000 1.484 760 H HN -0.186 nan 8.280 nan 0.000 0.576 761 R N 0.058 120.439 120.500 -0.198 0.000 2.698 761 R HA 0.516 4.855 4.340 -0.001 0.000 0.275 761 R C -1.716 174.558 176.300 -0.043 0.000 1.001 761 R CA -0.978 55.018 56.100 -0.174 0.000 0.896 761 R CB 3.169 33.381 30.300 -0.146 0.000 1.218 761 R HN -0.014 nan 8.270 nan 0.000 0.462 762 V N 1.913 121.844 119.914 0.028 0.000 2.409 762 V HA 0.220 4.339 4.120 -0.001 0.000 0.291 762 V C -0.039 176.149 176.094 0.157 0.000 1.020 762 V CA -0.699 61.645 62.300 0.073 0.000 0.848 762 V CB 1.458 33.319 31.823 0.064 0.000 0.990 762 V HN 0.704 nan 8.190 nan 0.000 0.430 763 E N 3.652 123.928 120.200 0.126 0.000 2.344 763 E HA 0.438 4.787 4.350 -0.001 0.000 0.270 763 E C -1.305 175.418 176.600 0.205 0.000 1.021 763 E CA -0.162 56.340 56.400 0.171 0.000 0.887 763 E CB 1.208 30.981 29.700 0.122 0.000 0.997 763 E HN 0.502 nan 8.360 nan 0.000 0.429 764 V N 5.403 125.509 119.914 0.321 0.000 2.488 764 V HA 0.094 4.214 4.120 -0.001 0.000 0.293 764 V C -0.764 175.512 176.094 0.303 0.000 1.027 764 V CA -0.793 61.654 62.300 0.244 0.000 0.862 764 V CB 1.674 33.560 31.823 0.107 0.000 1.008 764 V HN 0.903 nan 8.190 nan 0.000 0.428 765 D N 4.392 124.907 120.400 0.193 0.000 2.689 765 D HA -0.200 4.439 4.640 -0.001 0.000 0.237 765 D C 1.326 177.750 176.300 0.207 0.000 1.148 765 D CA 1.816 55.920 54.000 0.174 0.000 0.656 765 D CB -0.905 39.992 40.800 0.161 0.000 1.050 765 D HN 1.447 nan 8.370 nan 0.000 0.426 766 G N -0.723 108.192 108.800 0.192 0.000 2.217 766 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.246 766 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.246 766 G C 0.003 175.023 174.900 0.200 0.000 0.990 766 G CA 0.400 45.604 45.100 0.173 0.000 0.627 766 G HN 0.530 nan 8.290 nan 0.000 0.522 767 Y N 1.814 122.193 120.300 0.131 0.000 2.352 767 Y HA 0.619 5.168 4.550 -0.002 0.000 0.339 767 Y C 0.234 176.148 175.900 0.023 0.000 0.992 767 Y CA -0.980 57.119 58.100 -0.002 0.000 1.100 767 Y CB 1.151 39.519 38.460 -0.153 0.000 1.192 767 Y HN 0.031 nan 8.280 nan 0.000 0.458 768 K N 6.572 126.727 120.400 -0.408 0.000 2.263 768 K HA 0.188 4.507 4.320 -0.001 0.000 0.282 768 K C -1.509 174.995 176.600 -0.160 0.000 1.089 768 K CA -0.293 55.892 56.287 -0.170 0.000 0.907 768 K CB 0.440 32.801 32.500 -0.233 0.000 1.148 768 K HN 0.505 nan 8.250 nan 0.000 0.470 769 Y N 1.366 121.736 120.300 0.116 0.000 2.307 769 Y HA 0.099 4.649 4.550 -0.001 0.000 0.324 769 Y C 0.658 176.642 175.900 0.140 0.000 1.238 769 Y CA -0.789 57.433 58.100 0.202 0.000 1.280 769 Y CB 0.566 39.146 38.460 0.201 0.000 1.248 769 Y HN 0.540 nan 8.280 nan 0.000 0.508 770 W N 4.168 125.536 121.300 0.114 0.000 2.150 770 W HA 0.330 4.990 4.660 -0.001 0.000 0.341 770 W C -0.978 175.567 176.519 0.043 0.000 1.276 770 W CA -0.478 56.871 57.345 0.006 0.000 1.238 770 W CB 0.511 29.967 29.460 -0.007 0.000 1.128 770 W HN 0.409 nan 8.180 nan 0.000 0.581 771 I N 5.872 126.229 120.570 -0.355 0.000 2.437 771 I HA 0.302 4.471 4.170 -0.001 0.000 0.298 771 I C 0.173 176.227 176.117 -0.105 0.000 0.984 771 I CA -0.776 60.409 61.300 -0.193 0.000 1.214 771 I CB 1.718 39.575 38.000 -0.238 0.000 1.365 771 I HN 0.266 nan 8.210 nan 0.000 0.469 772 M N 5.997 125.585 119.600 -0.020 0.000 2.204 772 M HA 0.468 4.947 4.480 -0.001 0.000 0.293 772 M C -1.288 174.994 176.300 -0.030 0.000 0.994 772 M CA -0.495 54.803 55.300 -0.003 0.000 0.925 772 M CB 1.517 34.136 32.600 0.033 0.000 1.577 772 M HN 0.486 nan 8.290 nan 0.000 0.439 773 R N 3.210 123.677 120.500 -0.054 0.000 2.308 773 R HA 0.655 4.994 4.340 -0.001 0.000 0.305 773 R C -1.211 175.065 176.300 -0.040 0.000 1.053 773 R CA -0.572 55.480 56.100 -0.079 0.000 0.957 773 R CB 1.330 31.509 30.300 -0.200 0.000 1.022 773 R HN 0.511 nan 8.270 nan 0.000 0.461 774 V N 2.907 122.808 119.914 -0.022 0.000 2.656 774 V HA 0.182 4.301 4.120 -0.001 0.000 0.307 774 V C -0.082 176.017 176.094 0.008 0.000 1.051 774 V CA -1.170 61.129 62.300 -0.002 0.000 0.893 774 V CB 1.881 33.707 31.823 0.005 0.000 0.999 774 V HN 0.751 nan 8.190 nan 0.000 0.426 775 N N 2.378 121.090 118.700 0.020 0.000 2.483 775 N HA -0.015 4.724 4.740 -0.001 0.000 0.264 775 N C 1.547 177.070 175.510 0.022 0.000 1.197 775 N CA 0.723 53.791 53.050 0.031 0.000 0.927 775 N CB 1.648 40.159 38.487 0.041 0.000 1.065 775 N HN 0.881 nan 8.380 nan 0.000 0.461 776 S N 4.676 120.390 115.700 0.022 0.000 2.389 776 S HA -0.230 4.239 4.470 -0.001 0.000 0.231 776 S C 1.980 176.589 174.600 0.015 0.000 1.052 776 S CA 1.139 59.349 58.200 0.017 0.000 1.053 776 S CB -0.503 62.707 63.200 0.017 0.000 0.886 776 S HN 0.695 nan 8.310 nan 0.000 0.456 777 I N 2.288 122.867 120.570 0.016 0.000 2.286 777 I HA -0.154 4.015 4.170 -0.001 0.000 0.248 777 I C 2.041 178.165 176.117 0.011 0.000 1.115 777 I CA 1.616 62.922 61.300 0.011 0.000 1.392 777 I CB -0.499 37.506 38.000 0.008 0.000 1.065 777 I HN 0.309 nan 8.210 nan 0.000 0.418 778 D N 1.030 121.438 120.400 0.012 0.000 2.194 778 D HA -0.032 4.607 4.640 -0.001 0.000 0.204 778 D C 2.240 178.551 176.300 0.017 0.000 0.964 778 D CA 1.205 55.213 54.000 0.013 0.000 0.846 778 D CB 0.074 40.881 40.800 0.011 0.000 0.962 778 D HN 0.314 nan 8.370 nan 0.000 0.490 779 A N 1.478 124.308 122.820 0.017 0.000 1.873 779 A HA -0.173 4.146 4.320 -0.001 0.000 0.215 779 A C 2.146 179.742 177.584 0.020 0.000 1.186 779 A CA 1.207 53.256 52.037 0.020 0.000 0.616 779 A CB -0.395 18.614 19.000 0.017 0.000 0.823 779 A HN 0.022 nan 8.150 nan 0.000 0.442 780 E N 0.616 120.826 120.200 0.017 0.000 2.070 780 E HA -0.206 4.143 4.350 -0.001 0.000 0.197 780 E C 2.122 178.732 176.600 0.017 0.000 1.004 780 E CA 1.525 57.934 56.400 0.015 0.000 0.805 780 E CB -0.405 29.303 29.700 0.012 0.000 0.744 780 E HN 0.453 nan 8.360 nan 0.000 0.451 781 A N 0.750 123.580 122.820 0.016 0.000 2.070 781 A HA -0.115 4.204 4.320 -0.001 0.000 0.220 781 A C 2.018 179.617 177.584 0.024 0.000 1.159 781 A CA 1.182 53.229 52.037 0.017 0.000 0.656 781 A CB -0.275 18.734 19.000 0.014 0.000 0.800 781 A HN 0.174 nan 8.150 nan 0.000 0.453 782 R N -1.795 118.723 120.500 0.029 0.000 2.432 782 R HA 0.279 4.618 4.340 -0.001 0.000 0.260 782 R C 1.037 177.361 176.300 0.040 0.000 0.935 782 R CA 0.434 56.558 56.100 0.040 0.000 1.080 782 R CB 0.242 30.571 30.300 0.049 0.000 1.155 782 R HN 0.569 nan 8.270 nan 0.000 0.531 783 G N 1.865 110.684 108.800 0.031 0.000 2.160 783 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.251 783 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.251 783 G C 0.103 175.020 174.900 0.030 0.000 1.008 783 G CA 0.016 45.133 45.100 0.028 0.000 0.724 783 G HN 0.257 nan 8.290 nan 0.000 0.514 784 I N 0.143 120.731 120.570 0.031 0.000 2.365 784 I HA 0.419 4.588 4.170 -0.001 0.000 0.291 784 I C 0.577 176.707 176.117 0.022 0.000 1.004 784 I CA -0.338 60.981 61.300 0.031 0.000 1.311 784 I CB 1.313 39.334 38.000 0.035 0.000 1.401 784 I HN -0.023 nan 8.210 nan 0.000 0.491 785 K N 4.333 124.745 120.400 0.019 0.000 2.281 785 K HA 0.297 4.616 4.320 -0.001 0.000 0.242 785 K C -0.261 176.345 176.600 0.011 0.000 0.971 785 K CA -0.985 55.310 56.287 0.014 0.000 0.834 785 K CB 1.490 33.997 32.500 0.012 0.000 1.181 785 K HN 0.507 nan 8.250 nan 0.000 0.435 786 N N 0.845 119.550 118.700 0.008 0.000 2.359 786 N HA -0.115 4.624 4.740 -0.001 0.000 0.261 786 N C 0.532 176.045 175.510 0.005 0.000 1.267 786 N CA 1.704 54.757 53.050 0.005 0.000 0.864 786 N CB 0.340 38.829 38.487 0.003 0.000 1.063 786 N HN 0.858 nan 8.380 nan 0.000 0.474 787 G N 2.709 111.511 108.800 0.003 0.000 2.213 787 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.236 787 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.236 787 G C -0.189 174.706 174.900 -0.008 0.000 0.991 787 G CA -0.110 44.991 45.100 0.002 0.000 0.629 787 G HN 0.634 nan 8.290 nan 0.000 0.517 788 D N 0.593 120.992 120.400 -0.001 0.000 2.372 788 D HA 0.412 5.051 4.640 -0.001 0.000 0.243 788 D C 1.072 177.365 176.300 -0.011 0.000 1.121 788 D CA 0.011 54.013 54.000 0.002 0.000 0.898 788 D CB 0.794 41.607 40.800 0.022 0.000 1.202 788 D HN 0.274 nan 8.370 nan 0.000 0.428 789 L N 2.801 124.018 121.223 -0.010 0.000 2.319 789 L HA 0.357 4.696 4.340 -0.001 0.000 0.280 789 L C 0.538 177.470 176.870 0.103 0.000 1.099 789 L CA -0.432 54.395 54.840 -0.021 0.000 0.828 789 L CB 0.221 42.283 42.059 0.005 0.000 1.150 789 L HN 0.251 nan 8.230 nan 0.000 0.442 790 I N 0.969 121.576 120.570 0.061 0.000 2.957 790 I HA 0.624 4.793 4.170 -0.001 0.000 0.310 790 I C -0.540 175.600 176.117 0.038 0.000 1.063 790 I CA -1.064 60.293 61.300 0.095 0.000 1.033 790 I CB 2.180 40.219 38.000 0.066 0.000 1.230 790 I HN 0.580 nan 8.210 nan 0.000 0.447 791 R N 3.224 123.768 120.500 0.073 0.000 2.360 791 R HA 0.743 5.082 4.340 -0.001 0.000 0.318 791 R C -1.190 175.172 176.300 0.103 0.000 0.950 791 R CA -0.486 55.613 56.100 -0.003 0.000 0.837 791 R CB 1.560 31.845 30.300 -0.026 0.000 1.165 791 R HN 0.950 nan 8.270 nan 0.000 0.458 792 A N 4.801 127.642 122.820 0.035 0.000 2.290 792 A HA 0.516 4.835 4.320 -0.001 0.000 0.310 792 A C -1.325 176.282 177.584 0.039 0.000 1.202 792 A CA -0.486 51.558 52.037 0.012 0.000 0.837 792 A CB 0.313 19.291 19.000 -0.036 0.000 1.139 792 A HN 0.808 nan 8.150 nan 0.000 0.509 793 Y N 0.919 121.138 120.300 -0.136 0.000 2.656 793 Y HA 0.743 5.292 4.550 -0.001 0.000 0.334 793 Y C -0.720 174.967 175.900 -0.355 0.000 1.179 793 Y CA -1.121 56.864 58.100 -0.190 0.000 1.050 793 Y CB 1.168 39.556 38.460 -0.121 0.000 1.308 793 Y HN 0.809 nan 8.280 nan 0.000 0.456 794 N N -1.391 117.069 118.700 -0.401 0.000 3.449 794 N HA 0.211 4.951 4.740 -0.001 0.000 0.312 794 N C -0.701 174.652 175.510 -0.263 0.000 1.557 794 N CA -0.449 51.954 53.050 -1.078 0.000 0.864 794 N CB 0.126 37.915 38.487 -1.165 0.000 1.799 794 N HN 0.550 nan 8.380 nan 0.000 0.554 795 D N -0.459 119.860 120.400 -0.134 0.000 2.309 795 D HA -0.058 4.582 4.640 -0.001 0.000 0.212 795 D C 0.992 177.358 176.300 0.111 0.000 0.968 795 D CA 0.964 55.058 54.000 0.156 0.000 0.882 795 D CB -0.012 40.901 40.800 0.188 0.000 0.918 795 D HN 0.440 nan 8.370 nan 0.000 0.503 796 R N -0.282 120.179 120.500 -0.065 0.000 2.246 796 R HA 0.329 4.668 4.340 -0.001 0.000 0.199 796 R C 1.241 177.287 176.300 -0.423 0.000 0.984 796 R CA 0.502 56.518 56.100 -0.141 0.000 1.015 796 R CB 0.709 30.926 30.300 -0.137 0.000 0.930 796 R HN 0.099 nan 8.270 nan 0.000 0.475 797 G N -1.190 107.198 108.800 -0.687 0.000 2.345 797 G HA2 0.158 4.117 3.960 -0.001 0.000 0.285 797 G HA3 0.158 4.117 3.960 -0.001 0.000 0.285 797 G C -1.400 173.113 174.900 -0.644 0.000 1.297 797 G CA -0.799 43.449 45.100 -1.420 0.000 0.875 797 G HN -0.024 nan 8.290 nan 0.000 0.506 798 S N -1.508 113.943 115.700 -0.415 0.000 2.541 798 S HA 0.797 5.266 4.470 -0.001 0.000 0.280 798 S C -0.853 173.675 174.600 -0.119 0.000 1.112 798 S CA -0.542 57.591 58.200 -0.112 0.000 0.925 798 S CB 2.032 65.226 63.200 -0.010 0.000 1.067 798 S HN 1.185 nan 8.310 nan 0.000 0.479 799 V N 3.219 123.062 119.914 -0.119 0.000 2.623 799 V HA 0.483 4.603 4.120 -0.001 0.000 0.304 799 V C -1.154 174.845 176.094 -0.157 0.000 1.054 799 V CA -0.674 61.553 62.300 -0.122 0.000 0.882 799 V CB 1.698 33.465 31.823 -0.092 0.000 1.002 799 V HN 0.740 nan 8.190 nan 0.000 0.424 800 I N 5.761 126.193 120.570 -0.229 0.000 2.395 800 I HA 0.552 4.721 4.170 -0.001 0.000 0.289 800 I C -0.097 176.011 176.117 -0.015 0.000 1.023 800 I CA 0.238 61.353 61.300 -0.307 0.000 1.350 800 I CB 0.982 38.569 38.000 -0.689 0.000 1.409 800 I HN 0.426 nan 8.210 nan 0.000 0.507 801 L N 4.854 126.084 121.223 0.012 0.000 2.409 801 L HA 0.823 5.163 4.340 -0.001 0.000 0.255 801 L C -0.379 176.523 176.870 0.054 0.000 1.027 801 L CA -1.053 53.864 54.840 0.128 0.000 0.834 801 L CB 1.831 43.966 42.059 0.126 0.000 1.426 801 L HN 0.567 nan 8.230 nan 0.000 0.411 802 A N 1.062 123.937 122.820 0.092 0.000 2.289 802 A HA 0.796 5.115 4.320 -0.001 0.000 0.298 802 A C -0.014 177.580 177.584 0.017 0.000 1.208 802 A CA -0.297 51.751 52.037 0.018 0.000 0.845 802 A CB 0.773 19.809 19.000 0.059 0.000 1.125 802 A HN 0.726 nan 8.150 nan 0.000 0.517 803 A N 2.350 125.173 122.820 0.005 0.000 2.363 803 A HA 0.546 4.865 4.320 -0.001 0.000 0.270 803 A C 0.140 177.722 177.584 -0.003 0.000 1.121 803 A CA -0.255 51.785 52.037 0.005 0.000 0.800 803 A CB 0.270 19.277 19.000 0.012 0.000 1.052 803 A HN 0.862 nan 8.150 nan 0.000 0.493 804 Q N 2.850 122.642 119.800 -0.012 0.000 2.401 804 Q HA 0.482 4.821 4.340 -0.001 0.000 0.260 804 Q C -1.511 174.479 176.000 -0.017 0.000 1.034 804 Q CA -0.478 55.314 55.803 -0.018 0.000 0.737 804 Q CB 1.288 30.007 28.738 -0.033 0.000 1.227 804 Q HN 0.558 nan 8.270 nan 0.000 0.488 805 V N 3.477 123.387 119.914 -0.007 0.000 2.555 805 V HA 0.346 4.465 4.120 -0.001 0.000 0.286 805 V C 0.392 176.483 176.094 -0.005 0.000 1.044 805 V CA 0.328 62.627 62.300 -0.002 0.000 1.026 805 V CB 1.152 32.977 31.823 0.004 0.000 0.981 805 V HN 0.841 nan 8.190 nan 0.000 0.480 806 T N 2.708 117.261 114.554 -0.001 0.000 2.787 806 T HA 0.392 4.741 4.350 -0.001 0.000 0.297 806 T C -0.011 174.703 174.700 0.024 0.000 1.221 806 T CA -0.497 61.603 62.100 0.000 0.000 1.006 806 T CB 2.123 70.980 68.868 -0.019 0.000 1.328 806 T HN 0.621 nan 8.240 nan 0.000 0.509 807 E N 0.475 120.693 120.200 0.030 0.000 2.526 807 E HA 0.199 4.548 4.350 -0.001 0.000 0.208 807 E C 1.001 177.684 176.600 0.140 0.000 0.997 807 E CA 0.131 56.578 56.400 0.077 0.000 0.961 807 E CB 0.040 29.779 29.700 0.065 0.000 1.030 807 E HN 0.584 nan 8.360 nan 0.000 0.483 808 C N 1.419 120.751 119.300 0.054 0.000 2.460 808 C HA 0.285 4.744 4.460 -0.001 0.000 0.322 808 C C 0.716 175.881 174.990 0.292 0.000 1.333 808 C CA 0.004 59.005 59.018 -0.029 0.000 1.631 808 C CB -1.762 25.868 27.740 -0.184 0.000 1.672 808 C HN 0.131 nan 8.230 nan 0.000 0.596 809 L N 0.004 121.458 121.223 0.384 0.000 2.482 809 L HA 0.337 4.676 4.340 -0.001 0.000 0.263 809 L C -0.279 176.724 176.870 0.221 0.000 0.957 809 L CA -0.372 54.670 54.840 0.337 0.000 0.836 809 L CB 1.443 43.600 42.059 0.163 0.000 1.324 809 L HN 0.082 nan 8.230 nan 0.000 0.406 810 Q N 3.185 123.056 119.800 0.118 0.000 2.337 810 Q HA 0.243 4.582 4.340 -0.001 0.000 0.270 810 Q C -2.292 173.718 176.000 0.017 0.000 1.002 810 Q CA -1.344 54.460 55.803 0.002 0.000 0.888 810 Q CB 1.097 29.788 28.738 -0.077 0.000 1.222 810 Q HN 0.231 nan 8.270 nan 0.000 0.400 811 P HA -0.050 nan 4.420 nan 0.000 0.263 811 P C 0.094 177.389 177.300 -0.008 0.000 1.175 811 P CA 1.558 64.659 63.100 0.002 0.000 0.761 811 P CB 0.446 32.142 31.700 -0.007 0.000 0.794 812 G N 1.259 110.057 108.800 -0.003 0.000 2.194 812 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.236 812 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.236 812 G C 0.130 175.027 174.900 -0.005 0.000 0.987 812 G CA 0.008 45.102 45.100 -0.010 0.000 0.635 812 G HN 0.616 nan 8.290 nan 0.000 0.520 813 T N 0.967 115.527 114.554 0.009 0.000 2.807 813 T HA 0.670 5.019 4.350 -0.001 0.000 0.279 813 T C 0.115 174.832 174.700 0.027 0.000 0.993 813 T CA 0.118 62.231 62.100 0.020 0.000 0.970 813 T CB 2.462 71.356 68.868 0.043 0.000 0.950 813 T HN 1.346 nan 8.240 nan 0.000 0.441 814 V N 0.519 120.442 119.914 0.015 0.000 2.864 814 V HA 0.727 4.846 4.120 -0.001 0.000 0.314 814 V C -0.835 175.269 176.094 0.017 0.000 1.073 814 V CA -0.878 61.427 62.300 0.009 0.000 0.956 814 V CB 2.077 33.893 31.823 -0.012 0.000 1.023 814 V HN 0.964 nan 8.190 nan 0.000 0.435 815 H N 1.961 120.943 119.070 -0.148 0.000 2.759 815 H HA 0.730 5.285 4.556 -0.001 0.000 0.354 815 H C -1.579 173.597 175.328 -0.252 0.000 1.074 815 H CA -0.004 55.901 56.048 -0.239 0.000 1.226 815 H CB 2.134 31.629 29.762 -0.446 0.000 1.648 815 H HN 0.954 nan 8.280 nan 0.000 0.529 816 S N 5.464 120.877 115.700 -0.479 0.000 2.652 816 S HA 0.286 4.755 4.470 -0.001 0.000 0.273 816 S C -1.212 173.310 174.600 -0.130 0.000 1.172 816 S CA -0.521 57.566 58.200 -0.187 0.000 1.009 816 S CB 0.173 63.415 63.200 0.070 0.000 1.094 816 S HN 0.535 nan 8.310 nan 0.000 0.471 817 Y N 2.708 123.060 120.300 0.087 0.000 2.709 817 Y HA 0.089 4.638 4.550 -0.001 0.000 0.348 817 Y C 1.377 177.532 175.900 0.424 0.000 1.267 817 Y CA 0.466 58.706 58.100 0.234 0.000 1.486 817 Y CB 0.512 39.156 38.460 0.305 0.000 1.356 817 Y HN 0.785 nan 8.280 nan 0.000 0.639 818 E N -1.259 119.198 120.200 0.427 0.000 2.803 818 E HA 0.503 4.853 4.350 -0.001 0.000 0.250 818 E C -0.186 176.487 176.600 0.121 0.000 1.102 818 E CA -0.340 56.150 56.400 0.151 0.000 1.017 818 E CB 0.886 30.619 29.700 0.056 0.000 1.346 818 E HN 0.477 nan 8.360 nan 0.000 0.532 819 S N -2.143 113.524 115.700 -0.055 0.000 3.482 819 S HA -0.228 4.241 4.470 -0.001 0.000 0.294 819 S C 0.179 174.675 174.600 -0.173 0.000 1.244 819 S CA 0.514 58.681 58.200 -0.055 0.000 0.911 819 S CB -2.580 60.691 63.200 0.119 0.000 1.070 819 S HN 0.763 nan 8.310 nan 0.000 0.614 820 C N 2.012 121.009 119.300 -0.505 0.000 2.596 820 C HA 0.475 4.934 4.460 -0.001 0.000 0.414 820 C C 1.872 176.673 174.990 -0.316 0.000 1.396 820 C CA 0.445 59.035 59.018 -0.714 0.000 1.698 820 C CB -0.250 26.841 27.740 -1.082 0.000 2.572 820 C HN 0.782 nan 8.230 nan 0.000 0.604 821 A N 4.746 127.452 122.820 -0.190 0.000 2.178 821 A HA 0.287 4.606 4.320 -0.001 0.000 0.211 821 A C 0.632 178.143 177.584 -0.121 0.000 1.157 821 A CA 0.458 52.410 52.037 -0.141 0.000 0.780 821 A CB -0.065 18.854 19.000 -0.135 0.000 0.828 821 A HN 0.812 nan 8.150 nan 0.000 0.476 822 V N 0.641 120.485 119.914 -0.117 0.000 2.350 822 V HA 0.257 4.376 4.120 -0.001 0.000 0.276 822 V C -0.731 175.356 176.094 -0.012 0.000 1.028 822 V CA -0.521 61.738 62.300 -0.069 0.000 0.860 822 V CB 0.555 32.343 31.823 -0.057 0.000 0.990 822 V HN 0.378 nan 8.190 nan 0.000 0.453 823 Y N 4.245 124.471 120.300 -0.123 0.000 2.369 823 Y HA 0.620 5.169 4.550 -0.001 0.000 0.337 823 Y C -0.386 175.473 175.900 -0.069 0.000 0.961 823 Y CA -1.458 56.586 58.100 -0.093 0.000 1.186 823 Y CB 1.411 39.836 38.460 -0.059 0.000 1.139 823 Y HN 0.705 nan 8.280 nan 0.000 0.494 824 D N 8.861 128.971 120.400 -0.484 0.000 2.468 824 D HA 0.347 4.986 4.640 -0.001 0.000 0.272 824 D C -3.085 172.943 176.300 -0.454 0.000 1.221 824 D CA -2.200 51.556 54.000 -0.406 0.000 0.860 824 D CB 1.201 41.918 40.800 -0.137 0.000 1.190 824 D HN 0.223 nan 8.370 nan 0.000 0.509 825 P HA 0.108 nan 4.420 nan 0.000 0.268 825 P C 0.931 178.134 177.300 -0.162 0.000 1.204 825 P CA -0.167 62.723 63.100 -0.350 0.000 0.768 825 P CB 0.961 32.481 31.700 -0.300 0.000 0.842 826 L N 0.938 122.126 121.223 -0.059 0.000 2.509 826 L HA 0.201 4.540 4.340 -0.001 0.000 0.222 826 L C 1.448 178.341 176.870 0.038 0.000 1.123 826 L CA 0.724 55.569 54.840 0.009 0.000 0.856 826 L CB -0.372 41.744 42.059 0.095 0.000 0.985 826 L HN 0.556 nan 8.230 nan 0.000 0.456 827 G N -1.124 107.701 108.800 0.042 0.000 3.253 827 G HA2 0.236 4.195 3.960 -0.001 0.000 0.175 827 G HA3 0.236 4.195 3.960 -0.001 0.000 0.175 827 G C -0.710 174.223 174.900 0.055 0.000 1.098 827 G CA -0.192 44.941 45.100 0.055 0.000 0.790 827 G HN -0.132 nan 8.290 nan 0.000 0.648 828 T N 1.718 116.321 114.554 0.082 0.000 2.916 828 T HA 0.471 4.820 4.350 -0.001 0.000 0.303 828 T C 0.739 175.530 174.700 0.153 0.000 1.025 828 T CA 0.449 62.610 62.100 0.101 0.000 1.142 828 T CB 0.961 69.892 68.868 0.105 0.000 0.947 828 T HN 0.889 nan 8.240 nan 0.000 0.544 829 A N 2.515 125.445 122.820 0.183 0.000 2.546 829 A HA 0.472 4.792 4.320 -0.001 0.000 0.243 829 A C 1.674 179.476 177.584 0.365 0.000 1.063 829 A CA 0.202 52.439 52.037 0.334 0.000 0.757 829 A CB -0.931 18.323 19.000 0.423 0.000 0.991 829 A HN 1.667 nan 8.150 nan 0.000 0.503 830 G N 1.945 110.998 108.800 0.422 0.000 2.184 830 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.264 830 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.264 830 G C 0.612 175.656 174.900 0.241 0.000 0.975 830 G CA 1.010 46.274 45.100 0.273 0.000 0.642 830 G HN 0.856 nan 8.290 nan 0.000 0.536 831 K N -0.318 120.242 120.400 0.266 0.000 2.477 831 K HA 0.333 4.652 4.320 -0.001 0.000 0.208 831 K C 0.607 177.416 176.600 0.348 0.000 1.117 831 K CA 0.651 57.108 56.287 0.283 0.000 1.039 831 K CB 1.064 33.675 32.500 0.184 0.000 0.937 831 K HN 0.548 nan 8.250 nan 0.000 0.570 832 S N -0.375 115.528 115.700 0.339 0.000 2.661 832 S HA 0.718 5.187 4.470 -0.001 0.000 0.285 832 S C -0.426 174.351 174.600 0.295 0.000 1.138 832 S CA -1.114 57.283 58.200 0.329 0.000 0.855 832 S CB 1.703 65.019 63.200 0.192 0.000 1.136 832 S HN 0.088 nan 8.310 nan 0.000 0.484 833 A N 0.651 123.643 122.820 0.287 0.000 2.511 833 A HA 0.447 4.766 4.320 -0.001 0.000 0.242 833 A C -0.058 177.537 177.584 0.019 0.000 1.069 833 A CA 0.096 52.217 52.037 0.139 0.000 0.763 833 A CB -0.599 18.480 19.000 0.132 0.000 1.001 833 A HN 0.865 nan 8.150 nan 0.000 0.498 834 D N 0.185 120.565 120.400 -0.032 0.000 2.168 834 D HA 0.438 5.077 4.640 -0.001 0.000 0.246 834 D C 0.963 177.179 176.300 -0.139 0.000 1.050 834 D CA -0.590 53.359 54.000 -0.084 0.000 0.857 834 D CB 0.885 41.707 40.800 0.036 0.000 1.169 834 D HN 0.523 nan 8.370 nan 0.000 0.453 835 R N 2.025 122.417 120.500 -0.179 0.000 2.437 835 R HA 0.302 4.641 4.340 -0.001 0.000 0.257 835 R C 1.381 177.646 176.300 -0.058 0.000 0.927 835 R CA -0.165 55.829 56.100 -0.177 0.000 1.078 835 R CB 0.258 30.354 30.300 -0.341 0.000 1.161 835 R HN 0.400 nan 8.270 nan 0.000 0.529 836 G N 1.027 109.797 108.800 -0.050 0.000 2.408 836 G HA2 0.089 4.048 3.960 -0.001 0.000 0.217 836 G HA3 0.089 4.048 3.960 -0.001 0.000 0.217 836 G C 1.075 175.956 174.900 -0.032 0.000 1.150 836 G CA 0.778 45.883 45.100 0.008 0.000 0.776 836 G HN 0.602 nan 8.290 nan 0.000 0.542 837 G N -2.194 106.545 108.800 -0.101 0.000 2.151 837 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.140 837 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.140 837 G C 0.209 174.775 174.900 -0.557 0.000 1.020 837 G CA -0.142 44.805 45.100 -0.254 0.000 0.688 837 G HN 0.508 nan 8.290 nan 0.000 0.500 838 C N 2.438 121.552 119.300 -0.310 0.000 2.773 838 C HA 0.235 4.694 4.460 -0.001 0.000 0.442 838 C C 2.313 177.158 174.990 -0.241 0.000 1.028 838 C CA -0.454 58.387 59.018 -0.294 0.000 1.164 838 C CB -1.903 25.758 27.740 -0.132 0.000 1.593 838 C HN 0.474 nan 8.230 nan 0.000 0.557 839 I N 2.535 122.935 120.570 -0.283 0.000 2.399 839 I HA -0.157 4.012 4.170 -0.001 0.000 0.254 839 I C 2.054 178.085 176.117 -0.143 0.000 1.146 839 I CA 1.496 62.699 61.300 -0.161 0.000 1.412 839 I CB -0.599 37.350 38.000 -0.085 0.000 1.076 839 I HN 0.606 nan 8.210 nan 0.000 0.432 840 N N 0.759 119.361 118.700 -0.163 0.000 2.609 840 N HA -0.035 4.704 4.740 -0.001 0.000 0.190 840 N C 1.725 177.151 175.510 -0.140 0.000 1.157 840 N CA 0.462 53.426 53.050 -0.143 0.000 0.918 840 N CB -0.018 38.370 38.487 -0.164 0.000 0.978 840 N HN 0.434 nan 8.380 nan 0.000 0.448 841 I N 0.085 120.566 120.570 -0.149 0.000 2.676 841 I HA -0.144 4.025 4.170 -0.001 0.000 0.259 841 I C 1.428 177.449 176.117 -0.159 0.000 1.194 841 I CA 0.759 61.968 61.300 -0.150 0.000 1.473 841 I CB 0.164 38.074 38.000 -0.151 0.000 1.096 841 I HN 0.078 nan 8.210 nan 0.000 0.443 842 L N -0.200 120.933 121.223 -0.150 0.000 2.585 842 L HA 0.097 4.436 4.340 -0.001 0.000 0.226 842 L C 1.074 177.875 176.870 -0.117 0.000 1.113 842 L CA -0.076 54.671 54.840 -0.155 0.000 0.876 842 L CB -0.610 41.351 42.059 -0.163 0.000 1.072 842 L HN 0.238 nan 8.230 nan 0.000 0.468 843 T N -1.364 113.136 114.554 -0.089 0.000 2.910 843 T HA 0.283 4.633 4.350 -0.001 0.000 0.293 843 T C -2.455 172.237 174.700 -0.013 0.000 1.015 843 T CA -1.860 60.210 62.100 -0.051 0.000 1.094 843 T CB 0.932 69.772 68.868 -0.046 0.000 0.968 843 T HN -0.118 nan 8.240 nan 0.000 0.521 844 P HA 0.170 nan 4.420 nan 0.000 0.271 844 P C -0.095 177.271 177.300 0.110 0.000 1.226 844 P CA -0.172 63.007 63.100 0.132 0.000 0.765 844 P CB 0.690 32.590 31.700 0.333 0.000 0.835 845 D N 2.461 122.877 120.400 0.025 0.000 2.339 845 D HA -0.026 4.614 4.640 -0.001 0.000 0.217 845 D C 0.787 177.015 176.300 -0.121 0.000 1.050 845 D CA 0.038 54.006 54.000 -0.053 0.000 0.856 845 D CB -0.222 40.510 40.800 -0.113 0.000 0.922 845 D HN 0.325 nan 8.370 nan 0.000 0.518 846 R N 0.444 120.900 120.500 -0.073 0.000 2.537 846 R HA 0.061 4.400 4.340 -0.001 0.000 0.280 846 R C -0.410 175.868 176.300 -0.035 0.000 1.058 846 R CA -0.400 55.558 56.100 -0.237 0.000 1.057 846 R CB 0.214 30.152 30.300 -0.604 0.000 0.973 846 R HN 0.026 nan 8.270 nan 0.000 0.438 847 Y N 3.527 123.770 120.300 -0.095 0.000 2.550 847 Y HA -0.125 4.424 4.550 -0.001 0.000 0.343 847 Y C 1.964 177.919 175.900 0.091 0.000 1.245 847 Y CA -0.484 57.595 58.100 -0.035 0.000 1.462 847 Y CB 0.573 38.970 38.460 -0.104 0.000 1.340 847 Y HN 0.586 nan 8.280 nan 0.000 0.604 848 I N 0.803 121.568 120.570 0.326 0.000 2.151 848 I HA -0.289 3.880 4.170 -0.001 0.000 0.243 848 I C 1.031 177.382 176.117 0.390 0.000 1.080 848 I CA 1.714 63.249 61.300 0.392 0.000 1.339 848 I CB -0.370 37.726 38.000 0.160 0.000 1.039 848 I HN 0.557 nan 8.210 nan 0.000 0.409 849 S N -1.366 114.422 115.700 0.147 0.000 2.720 849 S HA 0.282 4.751 4.470 -0.001 0.000 0.287 849 S C 0.487 175.077 174.600 -0.016 0.000 1.168 849 S CA -0.886 57.381 58.200 0.110 0.000 0.832 849 S CB 2.008 65.327 63.200 0.198 0.000 1.166 849 S HN 0.081 nan 8.310 nan 0.000 0.493 850 K N -0.541 119.820 120.400 -0.066 0.000 2.103 850 K HA -0.116 4.203 4.320 -0.001 0.000 0.207 850 K C 0.717 177.062 176.600 -0.425 0.000 1.048 850 K CA 1.926 58.045 56.287 -0.279 0.000 0.930 850 K CB -0.325 31.922 32.500 -0.422 0.000 0.716 850 K HN 0.723 nan 8.250 nan 0.000 0.444 851 Y N -1.170 119.194 120.300 0.107 0.000 2.430 851 Y HA 0.358 4.907 4.550 -0.001 0.000 0.248 851 Y C 0.374 176.212 175.900 -0.103 0.000 1.108 851 Y CA -0.220 57.941 58.100 0.102 0.000 1.264 851 Y CB 0.675 39.344 38.460 0.350 0.000 1.172 851 Y HN -0.026 nan 8.280 nan 0.000 0.520 852 A N 0.023 122.780 122.820 -0.106 0.000 2.807 852 A HA 0.301 4.620 4.320 -0.001 0.000 0.307 852 A C -0.049 176.803 177.584 -1.220 0.000 1.532 852 A CA -0.385 51.342 52.037 -0.517 0.000 1.215 852 A CB -1.224 17.715 19.000 -0.103 0.000 1.127 852 A HN 0.471 nan 8.150 nan 0.000 0.543 853 C N 2.950 121.100 119.300 -1.917 0.000 3.506 853 C HA 0.448 4.908 4.460 -0.001 0.000 0.578 853 C C 1.437 175.710 174.990 -1.196 0.000 1.153 853 C CA -0.154 57.686 59.018 -1.964 0.000 1.248 853 C CB -1.981 24.885 27.740 -1.456 0.000 1.532 853 C HN 0.848 nan 8.230 nan 0.000 0.646 854 G N 0.934 109.243 108.800 -0.818 0.000 2.568 854 G HA2 0.679 4.639 3.960 -0.001 0.000 0.313 854 G HA3 0.679 4.639 3.960 -0.001 0.000 0.313 854 G C -0.393 174.598 174.900 0.151 0.000 1.227 854 G CA -0.837 44.203 45.100 -0.101 0.000 0.979 854 G HN 0.535 nan 8.290 nan 0.000 0.486 855 M N 0.335 120.050 119.600 0.190 0.000 2.211 855 M HA 0.642 5.121 4.480 -0.001 0.000 0.356 855 M C 0.187 176.573 176.300 0.142 0.000 1.216 855 M CA -0.435 54.962 55.300 0.161 0.000 1.134 855 M CB 1.788 34.450 32.600 0.103 0.000 1.564 855 M HN 0.424 nan 8.290 nan 0.000 0.463 856 A N 2.957 125.863 122.820 0.144 0.000 2.701 856 A HA 0.277 4.596 4.320 -0.001 0.000 0.297 856 A C 0.506 178.092 177.584 0.004 0.000 1.197 856 A CA -0.656 51.423 52.037 0.070 0.000 0.963 856 A CB -0.745 18.305 19.000 0.083 0.000 1.175 856 A HN 1.010 nan 8.150 nan 0.000 0.531 857 N N 1.483 120.198 118.700 0.025 0.000 2.060 857 N HA -0.191 4.548 4.740 -0.001 0.000 0.195 857 N C 0.961 176.459 175.510 -0.020 0.000 1.028 857 N CA 1.718 54.768 53.050 -0.000 0.000 0.861 857 N CB -0.274 38.214 38.487 0.001 0.000 1.029 857 N HN 0.465 nan 8.380 nan 0.000 0.428 858 N N 0.064 118.759 118.700 -0.007 0.000 2.627 858 N HA -0.034 4.705 4.740 -0.001 0.000 0.196 858 N C -0.346 175.148 175.510 -0.027 0.000 1.268 858 N CA 0.663 53.709 53.050 -0.007 0.000 0.904 858 N CB -0.214 38.285 38.487 0.021 0.000 1.016 858 N HN 0.406 nan 8.380 nan 0.000 0.448 859 T N -1.984 112.527 114.554 -0.073 0.000 3.068 859 T HA 0.727 5.076 4.350 -0.001 0.000 0.364 859 T C -0.530 174.102 174.700 -0.113 0.000 1.161 859 T CA -0.918 61.112 62.100 -0.116 0.000 1.155 859 T CB 1.336 70.084 68.868 -0.201 0.000 1.060 859 T HN 0.075 nan 8.240 nan 0.000 0.513 860 A N 3.960 126.736 122.820 -0.073 0.000 2.374 860 A HA 0.785 5.104 4.320 -0.001 0.000 0.305 860 A C -0.613 176.942 177.584 -0.048 0.000 1.053 860 A CA -0.929 51.075 52.037 -0.056 0.000 0.726 860 A CB 1.240 20.201 19.000 -0.064 0.000 1.229 860 A HN 0.852 nan 8.150 nan 0.000 0.431 861 L N 3.059 124.268 121.223 -0.024 0.000 2.275 861 L HA 0.651 4.990 4.340 -0.001 0.000 0.288 861 L C 0.019 176.850 176.870 -0.065 0.000 1.046 861 L CA -0.613 54.230 54.840 0.005 0.000 0.805 861 L CB 1.348 43.464 42.059 0.094 0.000 1.193 861 L HN 0.690 nan 8.230 nan 0.000 0.426 862 V N 0.160 120.031 119.914 -0.072 0.000 3.167 862 V HA 0.782 4.901 4.120 -0.001 0.000 0.310 862 V C -1.174 174.846 176.094 -0.122 0.000 1.207 862 V CA -0.735 61.442 62.300 -0.204 0.000 1.059 862 V CB 2.283 33.980 31.823 -0.209 0.000 1.079 862 V HN 0.678 nan 8.190 nan 0.000 0.446 863 E N 0.901 120.914 120.200 -0.311 0.000 2.317 863 E HA 0.788 5.138 4.350 -0.001 0.000 0.270 863 E C -1.032 175.380 176.600 -0.313 0.000 0.885 863 E CA -0.555 55.677 56.400 -0.281 0.000 0.760 863 E CB 1.895 31.390 29.700 -0.341 0.000 1.227 863 E HN 1.085 nan 8.360 nan 0.000 0.434 864 I N -0.373 120.163 120.570 -0.057 0.000 2.934 864 I HA 0.815 4.984 4.170 -0.001 0.000 0.306 864 I C -0.954 175.256 176.117 0.154 0.000 1.110 864 I CA -0.899 60.442 61.300 0.068 0.000 1.019 864 I CB 2.301 40.321 38.000 0.033 0.000 1.227 864 I HN 0.669 nan 8.210 nan 0.000 0.434 865 E N 2.108 122.418 120.200 0.184 0.000 2.429 865 E HA 0.408 4.757 4.350 -0.001 0.000 0.280 865 E C -1.754 174.941 176.600 0.158 0.000 1.068 865 E CA -1.274 55.227 56.400 0.170 0.000 0.837 865 E CB 1.462 31.290 29.700 0.213 0.000 1.357 865 E HN 0.541 nan 8.360 nan 0.000 0.455 866 K N 0.750 121.234 120.400 0.139 0.000 2.401 866 K HA 0.065 4.384 4.320 -0.001 0.000 0.278 866 K C -0.788 175.949 176.600 0.228 0.000 1.018 866 K CA -0.364 56.011 56.287 0.148 0.000 0.981 866 K CB 0.482 33.041 32.500 0.097 0.000 0.933 866 K HN 0.440 nan 8.250 nan 0.000 0.477 867 W N 5.199 126.521 121.300 0.036 0.000 2.368 867 W HA -0.006 4.653 4.660 -0.001 0.000 0.316 867 W C 0.377 176.937 176.519 0.069 0.000 1.375 867 W CA -0.662 56.719 57.345 0.060 0.000 1.261 867 W CB 0.241 29.729 29.460 0.046 0.000 1.298 867 W HN 0.653 nan 8.180 nan 0.000 0.539 868 D N 2.973 123.358 120.400 -0.026 0.000 2.328 868 D HA 0.114 4.753 4.640 -0.001 0.000 0.226 868 D C 1.678 177.632 176.300 -0.576 0.000 1.066 868 D CA 0.548 54.421 54.000 -0.212 0.000 0.861 868 D CB -0.263 40.516 40.800 -0.035 0.000 0.912 868 D HN 0.721 nan 8.370 nan 0.000 0.521 869 G N 0.120 108.023 108.800 -1.496 0.000 2.199 869 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.254 869 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.254 869 G C 0.056 174.603 174.900 -0.590 0.000 0.982 869 G CA 0.150 44.260 45.100 -1.651 0.000 0.632 869 G HN 0.614 nan 8.290 nan 0.000 0.529 870 D N 0.685 120.991 120.400 -0.157 0.000 2.361 870 D HA 0.388 5.027 4.640 -0.001 0.000 0.239 870 D C 1.784 178.301 176.300 0.362 0.000 1.200 870 D CA 0.438 54.419 54.000 -0.032 0.000 0.915 870 D CB 0.486 41.007 40.800 -0.465 0.000 1.170 870 D HN 0.488 nan 8.370 nan 0.000 0.444 871 K N 1.069 121.556 120.400 0.145 0.000 2.367 871 K HA 0.011 4.330 4.320 -0.001 0.000 0.194 871 K C -0.100 176.672 176.600 0.287 0.000 1.027 871 K CA -0.275 56.170 56.287 0.264 0.000 1.075 871 K CB -0.167 32.419 32.500 0.144 0.000 0.845 871 K HN 0.435 nan 8.250 nan 0.000 0.529 872 Y N 2.146 122.524 120.300 0.130 0.000 2.980 872 Y HA -0.224 4.325 4.550 -0.001 0.000 0.199 872 Y C -0.245 175.669 175.900 0.023 0.000 1.319 872 Y CA 0.684 58.824 58.100 0.066 0.000 0.877 872 Y CB -1.903 36.637 38.460 0.133 0.000 1.259 872 Y HN 0.430 nan 8.280 nan 0.000 0.437 873 E N 2.427 122.649 120.200 0.037 0.000 1.979 873 E HA 0.300 4.649 4.350 -0.001 0.000 0.285 873 E C 0.869 177.417 176.600 -0.086 0.000 1.188 873 E CA 0.086 56.502 56.400 0.028 0.000 1.214 873 E CB -0.371 29.345 29.700 0.027 0.000 1.210 873 E HN 0.652 nan 8.360 nan 0.000 0.477 874 I N -1.233 119.160 120.570 -0.295 0.000 4.102 874 I HA 0.288 4.458 4.170 -0.001 0.000 0.325 874 I C -0.710 175.073 176.117 -0.557 0.000 1.471 874 I CA -0.704 60.341 61.300 -0.425 0.000 1.133 874 I CB 0.049 37.778 38.000 -0.452 0.000 1.184 874 I HN 0.045 nan 8.210 nan 0.000 0.451 875 Y N 0.000 120.353 120.300 0.089 0.000 2.660 875 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 875 Y CA 0.000 58.145 58.100 0.076 0.000 1.940 875 Y CB 0.000 38.506 38.460 0.077 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758