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 2pff_1_H DATA FIRST_RESID 1 DATA SEQUENCE MDAYSTRPLT LSHGSLEHVL LVPTASFFIA SQLQEQFNKI LPEPTEGFAA DATA SEQUENCE DDEPTTPAEL VGKFLGYVSS LVEPSKVGQF DQVLNLCLTE FENCYLEGND DATA SEQUENCE IHALAAKLLQ ENDTTLVKTK ELIKNYITAR IMAKRPFDKK SNSALFRAVG DATA SEQUENCE EGNAQLVAIF GGQGNTDDYF EELRDLYQTY HVLVGDLIKF SAETLSELIR DATA SEQUENCE TTLDAEKVFT QGLNILEWLE NPSNTPDKDY LLSIPISCPL IGVIQLAHYV DATA SEQUENCE VTAKLLGFTP GELRSYLKGA TGHSQGLVTA VAIAETDSWE SFFVSVRKAI DATA SEQUENCE TVLFFIGVRC YEAYPNTSLP PSILEDSLEN NEGVPSPMLS ISNLTQEQVQ DATA SEQUENCE DYVNKTNSHL PAGKQVEISL VNGAKNLVVS GPPQSLYGLN LTLRKAKAPS DATA SEQUENCE GLDQSRIPFS ERKLKFSNRF LPVASPFHSH LLVPASDLIN KDLVKNNVSF DATA SEQUENCE NAKDIQIPVY DTFDGSDLRV LSGSISERIV DCIIRLPVKW ETTTQFKATH DATA SEQUENCE ILDFGPGGAS GLGVLTHRNK DGTGVRVIVA GTLDINPDDD YGFKQ????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXX????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ????????QG SQEQGMGMDL YKTSKAAQDV WNRADNHFKD DATA SEQUENCE TYGFSILDIV INNPVNLTIH FGGEKGKRIR ENYSAMIFET IVDGKLKTEK DATA SEQUENCE IFKEINEHST SYTFRSEKGL LSATQFTQPA LTLMEKAAFE DLKSKGLIPA DATA SEQUENCE DATFAGHSLG EYAALASLAD VMSIESLVEV VFYRGMTMQV AVPRDELGRS DATA SEQUENCE NYGMIAINPG RVAASFSQEA LQYVVERVGK RTGWLVEIVN YNVENQQYVA DATA SEQUENCE AGDLRALDTV TNVLNFIKLQ KIDIIELQKS LSLEEVEGHL F????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ? 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 0.000 176.201 176.300 -0.165 0.000 1.140 1 M CA 0.000 55.069 55.300 -0.384 0.000 0.988 1 M CB 0.000 32.506 32.600 -0.157 0.000 1.302 2 D N 0.269 120.645 120.400 -0.040 0.000 2.484 2 D HA 0.473 5.112 4.640 -0.001 0.000 0.223 2 D C -0.808 175.547 176.300 0.091 0.000 1.350 2 D CA -0.309 53.707 54.000 0.026 0.000 0.940 2 D CB -0.733 40.092 40.800 0.042 0.000 1.525 2 D HN 0.741 nan 8.370 nan 0.000 0.504 3 A N 2.036 124.895 122.820 0.065 0.000 2.526 3 A HA 0.401 4.721 4.320 -0.001 0.000 0.267 3 A C 0.303 177.934 177.584 0.077 0.000 1.095 3 A CA -0.214 51.857 52.037 0.056 0.000 0.775 3 A CB -0.445 18.558 19.000 0.004 0.000 1.036 3 A HN 0.598 nan 8.150 nan 0.000 0.510 4 Y N 1.952 122.271 120.300 0.031 0.000 2.675 4 Y HA 0.545 5.094 4.550 -0.001 0.000 0.446 4 Y C 1.175 177.088 175.900 0.023 0.000 1.418 4 Y CA -0.487 57.630 58.100 0.028 0.000 1.932 4 Y CB -0.004 38.480 38.460 0.040 0.000 1.777 4 Y HN 0.966 nan 8.280 nan 0.000 0.650 5 S N -1.206 114.646 115.700 0.253 0.000 3.424 5 S HA -0.188 4.282 4.470 -0.001 0.000 0.276 5 S C 0.408 175.070 174.600 0.104 0.000 1.280 5 S CA 0.951 59.207 58.200 0.093 0.000 0.801 5 S CB -2.191 60.902 63.200 -0.179 0.000 1.010 5 S HN 1.487 nan 8.310 nan 0.000 0.673 6 T N -0.700 113.946 114.554 0.154 0.000 9.545 6 T HA -0.199 4.151 4.350 -0.001 0.000 0.344 6 T C -0.108 174.625 174.700 0.056 0.000 1.908 6 T CA 1.817 63.971 62.100 0.090 0.000 3.011 6 T CB -0.710 68.197 68.868 0.064 0.000 2.298 6 T HN 0.714 nan 8.240 nan 0.000 0.992 7 R N 2.127 122.651 120.500 0.040 0.000 2.343 7 R HA 0.525 4.865 4.340 -0.001 0.000 0.320 7 R C -2.873 173.440 176.300 0.022 0.000 0.956 7 R CA -2.542 53.566 56.100 0.013 0.000 0.836 7 R CB 0.641 30.932 30.300 -0.015 0.000 1.151 7 R HN 0.311 nan 8.270 nan 0.000 0.450 8 P HA 0.392 nan 4.420 nan 0.000 0.294 8 P C -0.793 176.514 177.300 0.011 0.000 1.294 8 P CA -0.622 62.495 63.100 0.028 0.000 0.827 8 P CB 1.847 33.566 31.700 0.032 0.000 0.992 9 L N 2.559 123.791 121.223 0.016 0.000 2.518 9 L HA 0.262 4.601 4.340 -0.001 0.000 0.262 9 L C -0.381 176.498 176.870 0.016 0.000 0.982 9 L CA -0.325 54.524 54.840 0.014 0.000 0.873 9 L CB 1.458 43.529 42.059 0.019 0.000 1.198 9 L HN 0.295 nan 8.230 nan 0.000 0.427 10 T N 5.234 119.795 114.554 0.011 0.000 2.933 10 T HA 0.144 4.493 4.350 -0.001 0.000 0.306 10 T C 0.306 175.003 174.700 -0.006 0.000 1.045 10 T CA 0.476 62.574 62.100 -0.002 0.000 1.143 10 T CB 0.122 68.993 68.868 0.005 0.000 1.003 10 T HN 0.424 nan 8.240 nan 0.000 0.540 11 L N 3.357 124.553 121.223 -0.046 0.000 2.556 11 L HA 0.249 4.589 4.340 -0.001 0.000 0.243 11 L C 0.762 177.583 176.870 -0.082 0.000 1.331 11 L CA -0.857 53.959 54.840 -0.040 0.000 0.927 11 L CB 0.466 42.506 42.059 -0.032 0.000 1.219 11 L HN 0.863 nan 8.230 nan 0.000 0.490 12 S N 0.120 115.793 115.700 -0.043 0.000 4.454 12 S HA -0.231 4.239 4.470 -0.001 0.000 0.400 12 S C 0.576 175.154 174.600 -0.036 0.000 0.563 12 S CA 0.025 58.209 58.200 -0.026 0.000 1.318 12 S CB -0.904 62.289 63.200 -0.013 0.000 1.958 12 S HN 0.488 nan 8.310 nan 0.000 0.349 13 H N 3.210 122.265 119.070 -0.026 0.000 3.238 13 H HA -0.040 4.515 4.556 -0.001 0.000 0.250 13 H C 1.791 177.056 175.328 -0.105 0.000 0.826 13 H CA 1.186 57.214 56.048 -0.034 0.000 1.409 13 H CB -0.280 29.470 29.762 -0.020 0.000 1.458 13 H HN 0.920 nan 8.280 nan 0.000 0.514 14 G N 2.956 111.721 108.800 -0.058 0.000 2.564 14 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 14 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 14 G C 0.404 175.075 174.900 -0.382 0.000 1.120 14 G CA 0.552 45.374 45.100 -0.463 0.000 0.752 14 G HN 0.648 nan 8.290 nan 0.000 0.558 15 S N -1.101 114.583 115.700 -0.026 0.000 3.388 15 S HA -0.169 4.300 4.470 -0.001 0.000 0.569 15 S C 1.043 175.707 174.600 0.107 0.000 0.676 15 S CA 0.445 58.660 58.200 0.026 0.000 1.373 15 S CB -1.107 62.082 63.200 -0.019 0.000 1.106 15 S HN 0.843 nan 8.310 nan 0.000 0.833 16 L N 0.741 122.025 121.223 0.101 0.000 4.065 16 L HA -0.415 3.925 4.340 -0.001 0.000 0.053 16 L C 2.059 179.004 176.870 0.124 0.000 4.034 16 L CA 2.164 57.062 54.840 0.096 0.000 0.961 16 L CB -1.271 40.827 42.059 0.064 0.000 3.355 16 L HN 0.716 nan 8.230 nan 0.000 0.893 17 E N -0.515 119.767 120.200 0.137 0.000 2.394 17 E HA -0.197 4.152 4.350 -0.001 0.000 0.202 17 E C 1.330 177.880 176.600 -0.083 0.000 1.029 17 E CA 1.913 58.323 56.400 0.018 0.000 0.855 17 E CB -0.142 29.531 29.700 -0.044 0.000 0.770 17 E HN 0.660 nan 8.360 nan 0.000 0.527 18 H N -1.640 117.431 119.070 0.003 0.000 2.336 18 H HA 0.160 4.716 4.556 -0.001 0.000 0.307 18 H C 1.785 177.116 175.328 0.005 0.000 1.056 18 H CA 0.510 56.556 56.048 -0.003 0.000 1.471 18 H CB -0.535 29.233 29.762 0.010 0.000 1.502 18 H HN -0.089 nan 8.280 nan 0.000 0.630 19 V N 1.621 121.653 119.914 0.197 0.000 3.025 19 V HA -0.207 3.912 4.120 -0.001 0.000 0.269 19 V C 1.882 178.025 176.094 0.081 0.000 1.159 19 V CA 1.391 63.775 62.300 0.139 0.000 1.171 19 V CB -0.820 31.107 31.823 0.173 0.000 0.762 19 V HN 0.209 nan 8.190 nan 0.000 0.530 20 L N -0.918 120.337 121.223 0.053 0.000 2.269 20 L HA 0.232 4.571 4.340 -0.001 0.000 0.200 20 L C 1.792 178.659 176.870 -0.006 0.000 1.069 20 L CA 1.488 56.339 54.840 0.018 0.000 0.804 20 L CB -0.077 41.986 42.059 0.008 0.000 0.987 20 L HN 0.204 nan 8.230 nan 0.000 0.468 21 L N -1.232 119.972 121.223 -0.031 0.000 2.627 21 L HA 0.056 4.395 4.340 -0.001 0.000 0.233 21 L C 1.677 178.492 176.870 -0.091 0.000 1.144 21 L CA -0.274 54.518 54.840 -0.081 0.000 0.892 21 L CB -0.151 41.826 42.059 -0.136 0.000 1.039 21 L HN 0.075 nan 8.230 nan 0.000 0.442 22 V N 0.595 120.496 119.914 -0.021 0.000 2.403 22 V HA -0.007 4.113 4.120 -0.001 0.000 0.239 22 V C -0.291 175.834 176.094 0.051 0.000 1.041 22 V CA 1.063 63.368 62.300 0.010 0.000 1.051 22 V CB -1.138 30.714 31.823 0.048 0.000 0.704 22 V HN 0.311 nan 8.190 nan 0.000 0.472 23 P HA -0.159 nan 4.420 nan 0.000 0.222 23 P C 1.316 178.672 177.300 0.093 0.000 1.142 23 P CA 1.420 64.570 63.100 0.083 0.000 0.788 23 P CB -0.334 31.393 31.700 0.045 0.000 0.767 24 T N -0.994 113.592 114.554 0.053 0.000 3.051 24 T HA 0.054 4.403 4.350 -0.001 0.000 0.269 24 T C 1.785 176.639 174.700 0.257 0.000 1.127 24 T CA 1.350 63.477 62.100 0.044 0.000 1.107 24 T CB -0.191 68.704 68.868 0.046 0.000 0.898 24 T HN 0.196 nan 8.240 nan 0.000 0.517 25 A N 0.088 123.075 122.820 0.278 0.000 2.127 25 A HA 0.345 4.664 4.320 -0.001 0.000 0.204 25 A C 2.281 180.117 177.584 0.420 0.000 1.243 25 A CA 0.677 52.995 52.037 0.468 0.000 0.887 25 A CB -0.463 18.689 19.000 0.254 0.000 0.933 25 A HN 0.341 nan 8.150 nan 0.000 0.479 26 S N -1.143 114.730 115.700 0.288 0.000 2.368 26 S HA -0.125 4.344 4.470 -0.001 0.000 0.225 26 S C 1.612 176.439 174.600 0.378 0.000 1.030 26 S CA 1.849 60.222 58.200 0.290 0.000 0.999 26 S CB -0.392 62.939 63.200 0.219 0.000 0.844 26 S HN 0.515 nan 8.310 nan 0.000 0.459 27 F N 0.285 120.335 119.950 0.166 0.000 2.446 27 F HA 0.387 4.914 4.527 -0.001 0.000 0.292 27 F C 1.659 177.604 175.800 0.241 0.000 1.096 27 F CA 0.170 58.261 58.000 0.152 0.000 1.438 27 F CB -0.388 38.632 39.000 0.033 0.000 1.107 27 F HN 0.256 nan 8.300 nan 0.000 0.546 28 F N -0.649 119.420 119.950 0.199 0.000 2.216 28 F HA -0.234 4.292 4.527 -0.001 0.000 0.300 28 F C 2.361 178.005 175.800 -0.260 0.000 1.085 28 F CA 0.218 58.231 58.000 0.022 0.000 1.326 28 F CB -0.019 39.156 39.000 0.291 0.000 1.027 28 F HN -0.045 nan 8.300 nan 0.000 0.497 29 I N 0.320 120.973 120.570 0.139 0.000 2.617 29 I HA -0.091 4.079 4.170 -0.001 0.000 0.256 29 I C 2.178 178.254 176.117 -0.068 0.000 1.167 29 I CA 0.921 62.201 61.300 -0.033 0.000 1.469 29 I CB -0.883 37.228 38.000 0.186 0.000 1.098 29 I HN -0.060 nan 8.210 nan 0.000 0.436 30 A N 0.591 123.432 122.820 0.033 0.000 2.250 30 A HA -0.028 4.292 4.320 -0.001 0.000 0.208 30 A C 1.237 178.704 177.584 -0.195 0.000 1.254 30 A CA 0.413 52.480 52.037 0.050 0.000 0.858 30 A CB -1.030 17.976 19.000 0.009 0.000 0.820 30 A HN 0.430 nan 8.150 nan 0.000 0.484 31 S N 0.597 116.175 115.700 -0.203 0.000 3.361 31 S HA -0.126 4.344 4.470 -0.001 0.000 0.396 31 S C 1.379 175.872 174.600 -0.177 0.000 1.165 31 S CA 0.618 58.683 58.200 -0.224 0.000 1.192 31 S CB -0.480 62.552 63.200 -0.280 0.000 0.843 31 S HN 0.700 nan 8.310 nan 0.000 0.528 32 Q N 3.439 123.128 119.800 -0.185 0.000 2.274 32 Q HA -0.265 4.074 4.340 -0.001 0.000 0.220 32 Q C 1.437 177.362 176.000 -0.125 0.000 1.043 32 Q CA 2.367 58.089 55.803 -0.136 0.000 0.964 32 Q CB -0.631 28.039 28.738 -0.113 0.000 1.051 32 Q HN 0.833 nan 8.270 nan 0.000 0.425 33 L N 0.695 121.821 121.223 -0.161 0.000 2.693 33 L HA -0.082 4.257 4.340 -0.001 0.000 0.242 33 L C 1.559 178.383 176.870 -0.076 0.000 1.157 33 L CA -0.021 54.673 54.840 -0.242 0.000 0.929 33 L CB -0.106 41.784 42.059 -0.283 0.000 1.103 33 L HN 0.244 nan 8.230 nan 0.000 0.430 34 Q N -0.778 119.014 119.800 -0.014 0.000 2.431 34 Q HA 0.042 4.381 4.340 -0.001 0.000 0.244 34 Q C 1.658 177.716 176.000 0.096 0.000 0.880 34 Q CA 0.548 56.379 55.803 0.047 0.000 0.954 34 Q CB 0.291 28.984 28.738 -0.074 0.000 1.105 34 Q HN 0.487 nan 8.270 nan 0.000 0.558 35 E N 0.966 121.225 120.200 0.099 0.000 2.112 35 E HA -0.057 4.292 4.350 -0.001 0.000 0.190 35 E C 1.749 178.414 176.600 0.109 0.000 0.979 35 E CA 0.523 57.011 56.400 0.147 0.000 0.814 35 E CB 0.202 29.974 29.700 0.120 0.000 0.762 35 E HN 0.301 nan 8.360 nan 0.000 0.460 36 Q N -0.560 119.274 119.800 0.057 0.000 2.424 36 Q HA 0.079 4.419 4.340 -0.001 0.000 0.204 36 Q C 0.981 177.086 176.000 0.175 0.000 0.933 36 Q CA 0.325 56.157 55.803 0.048 0.000 0.929 36 Q CB 0.342 29.046 28.738 -0.056 0.000 1.037 36 Q HN 0.300 nan 8.270 nan 0.000 0.511 37 F N 0.418 120.377 119.950 0.016 0.000 2.664 37 F HA 0.057 4.583 4.527 -0.001 0.000 0.303 37 F C 1.268 177.076 175.800 0.013 0.000 1.092 37 F CA -0.307 57.705 58.000 0.018 0.000 1.305 37 F CB 0.512 39.518 39.000 0.010 0.000 1.054 37 F HN 0.214 nan 8.300 nan 0.000 0.565 38 N N -0.495 118.324 118.700 0.199 0.000 2.257 38 N HA -0.025 4.714 4.740 -0.001 0.000 0.200 38 N C 0.997 176.570 175.510 0.106 0.000 1.163 38 N CA 0.214 53.335 53.050 0.119 0.000 0.891 38 N CB -0.128 38.436 38.487 0.129 0.000 1.067 38 N HN -0.059 nan 8.380 nan 0.000 0.497 39 K N 0.158 120.629 120.400 0.118 0.000 2.361 39 K HA 0.296 4.615 4.320 -0.001 0.000 0.196 39 K C 0.585 177.236 176.600 0.086 0.000 1.039 39 K CA 0.392 56.733 56.287 0.090 0.000 1.001 39 K CB 0.172 32.720 32.500 0.080 0.000 0.795 39 K HN 0.274 nan 8.250 nan 0.000 0.495 40 I N 1.535 122.174 120.570 0.114 0.000 3.806 40 I HA -0.018 4.152 4.170 -0.001 0.000 0.321 40 I C 0.837 176.986 176.117 0.054 0.000 1.315 40 I CA 0.419 61.776 61.300 0.096 0.000 1.148 40 I CB 0.189 38.280 38.000 0.152 0.000 1.028 40 I HN 0.075 nan 8.210 nan 0.000 0.415 41 L N 0.161 121.413 121.223 0.048 0.000 3.017 41 L HA 0.209 4.548 4.340 -0.001 0.000 0.265 41 L C -0.902 175.983 176.870 0.024 0.000 1.128 41 L CA 0.016 54.870 54.840 0.024 0.000 0.984 41 L CB -1.132 40.935 42.059 0.013 0.000 1.464 41 L HN 0.008 nan 8.230 nan 0.000 0.556 42 P HA -0.072 nan 4.420 nan 0.000 0.226 42 P C 0.753 178.066 177.300 0.022 0.000 1.153 42 P CA 1.402 64.520 63.100 0.030 0.000 0.777 42 P CB 0.632 32.354 31.700 0.036 0.000 0.794 43 E N -0.578 119.636 120.200 0.023 0.000 2.870 43 E HA 0.131 4.481 4.350 -0.001 0.000 0.185 43 E C -1.551 175.058 176.600 0.015 0.000 1.084 43 E CA -0.022 56.389 56.400 0.018 0.000 1.246 43 E CB -0.794 28.918 29.700 0.020 0.000 1.382 43 E HN 0.201 nan 8.360 nan 0.000 0.492 44 P HA 0.108 nan 4.420 nan 0.000 0.225 44 P C -1.271 176.033 177.300 0.008 0.000 1.768 44 P CA 0.256 63.364 63.100 0.014 0.000 0.943 44 P CB -0.343 31.369 31.700 0.021 0.000 1.936 45 T N 2.696 117.253 114.554 0.004 0.000 2.327 45 T HA -0.177 4.173 4.350 -0.001 0.000 0.180 45 T C 0.646 175.335 174.700 -0.019 0.000 1.142 45 T CA 0.871 62.968 62.100 -0.005 0.000 3.262 45 T CB -0.990 67.874 68.868 -0.007 0.000 0.793 45 T HN 0.388 nan 8.240 nan 0.000 0.301 46 E N 0.372 120.555 120.200 -0.028 0.000 2.320 46 E HA -0.201 4.148 4.350 -0.001 0.000 0.234 46 E C 1.300 177.860 176.600 -0.066 0.000 1.183 46 E CA 0.911 57.274 56.400 -0.062 0.000 0.713 46 E CB -1.649 28.006 29.700 -0.075 0.000 1.226 46 E HN 0.825 nan 8.360 nan 0.000 0.382 47 G N -0.755 108.023 108.800 -0.037 0.000 2.732 47 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.222 47 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.222 47 G C 0.561 175.485 174.900 0.039 0.000 1.203 47 G CA 1.464 46.563 45.100 -0.002 0.000 0.780 47 G HN 0.343 nan 8.290 nan 0.000 0.621 48 F N -1.412 118.333 119.950 -0.342 0.000 3.084 48 F HA 0.610 5.137 4.527 -0.001 0.000 0.336 48 F C 0.088 175.553 175.800 -0.558 0.000 1.230 48 F CA -0.571 57.176 58.000 -0.422 0.000 0.993 48 F CB 0.632 39.355 39.000 -0.463 0.000 1.496 48 F HN 0.558 nan 8.300 nan 0.000 0.522 49 A N 2.119 124.433 122.820 -0.843 0.000 1.539 49 A HA 0.331 4.650 4.320 -0.001 0.000 0.299 49 A C 0.508 177.875 177.584 -0.362 0.000 1.101 49 A CA 1.130 52.831 52.037 -0.560 0.000 1.285 49 A CB -2.071 16.775 19.000 -0.257 0.000 0.879 49 A HN 2.650 nan 8.150 nan 0.000 0.199 50 A N 2.223 124.852 122.820 -0.318 0.000 6.643 50 A HA 0.102 4.422 4.320 -0.001 0.000 0.230 50 A C 1.200 178.674 177.584 -0.183 0.000 2.273 50 A CA 1.412 53.325 52.037 -0.207 0.000 0.690 50 A CB -1.329 17.587 19.000 -0.140 0.000 0.908 50 A HN 2.437 nan 8.150 nan 0.000 0.366 51 D N -1.699 118.619 120.400 -0.136 0.000 2.332 51 D HA -0.299 4.341 4.640 -0.001 0.000 0.166 51 D C 1.049 177.291 176.300 -0.097 0.000 1.574 51 D CA 2.420 56.355 54.000 -0.108 0.000 1.598 51 D CB -1.656 39.085 40.800 -0.097 0.000 1.354 51 D HN 1.158 nan 8.370 nan 0.000 0.481 52 D N 1.523 121.853 120.400 -0.117 0.000 2.723 52 D HA -0.261 4.378 4.640 -0.001 0.000 0.208 52 D C 0.896 177.153 176.300 -0.071 0.000 1.050 52 D CA 2.087 56.028 54.000 -0.098 0.000 0.893 52 D CB -0.620 40.112 40.800 -0.114 0.000 1.062 52 D HN 0.607 nan 8.370 nan 0.000 0.478 53 E N 1.110 121.270 120.200 -0.066 0.000 2.231 53 E HA 0.184 4.534 4.350 -0.001 0.000 0.277 53 E C -2.002 174.560 176.600 -0.062 0.000 0.999 53 E CA -1.960 54.406 56.400 -0.056 0.000 0.827 53 E CB 2.229 31.906 29.700 -0.039 0.000 1.101 53 E HN -0.170 nan 8.360 nan 0.000 0.393 54 P HA -0.167 nan 4.420 nan 0.000 0.217 54 P C 0.387 177.650 177.300 -0.061 0.000 1.151 54 P CA 1.546 64.604 63.100 -0.071 0.000 0.849 54 P CB 0.231 31.875 31.700 -0.093 0.000 0.787 55 T N -2.565 111.952 114.554 -0.062 0.000 3.163 55 T HA 0.058 4.408 4.350 -0.001 0.000 0.252 55 T C 1.204 175.914 174.700 0.016 0.000 1.056 55 T CA 0.528 62.625 62.100 -0.006 0.000 0.947 55 T CB -0.629 68.248 68.868 0.015 0.000 1.016 55 T HN 0.102 nan 8.240 nan 0.000 0.554 56 T N 2.651 117.188 114.554 -0.029 0.000 3.085 56 T HA 0.022 4.371 4.350 -0.001 0.000 0.263 56 T C -1.010 173.642 174.700 -0.080 0.000 1.127 56 T CA 0.301 62.368 62.100 -0.056 0.000 1.103 56 T CB -0.634 68.190 68.868 -0.072 0.000 0.921 56 T HN 0.335 nan 8.240 nan 0.000 0.510 57 P HA 0.015 nan 4.420 nan 0.000 0.215 57 P C 1.599 178.854 177.300 -0.075 0.000 1.157 57 P CA 0.904 63.958 63.100 -0.077 0.000 0.863 57 P CB -0.163 31.498 31.700 -0.066 0.000 0.787 58 A N -0.193 122.584 122.820 -0.072 0.000 2.159 58 A HA -0.268 4.051 4.320 -0.001 0.000 0.222 58 A C 1.941 179.384 177.584 -0.235 0.000 1.163 58 A CA 1.609 53.573 52.037 -0.121 0.000 0.664 58 A CB -0.916 18.026 19.000 -0.096 0.000 0.803 58 A HN 0.146 nan 8.150 nan 0.000 0.470 59 E N -0.144 119.932 120.200 -0.207 0.000 1.987 59 E HA -0.148 4.202 4.350 -0.001 0.000 0.200 59 E C 1.929 178.476 176.600 -0.088 0.000 0.990 59 E CA 1.143 57.431 56.400 -0.186 0.000 0.859 59 E CB -0.889 28.732 29.700 -0.132 0.000 0.805 59 E HN 0.448 nan 8.360 nan 0.000 0.499 60 L N 1.037 122.233 121.223 -0.045 0.000 2.051 60 L HA -0.209 4.131 4.340 -0.001 0.000 0.214 60 L C 2.579 179.524 176.870 0.126 0.000 1.076 60 L CA 1.201 56.059 54.840 0.031 0.000 0.758 60 L CB -1.061 41.002 42.059 0.007 0.000 0.890 60 L HN 0.018 nan 8.230 nan 0.000 0.433 61 V N -0.358 119.611 119.914 0.092 0.000 2.237 61 V HA -0.188 3.931 4.120 -0.001 0.000 0.245 61 V C 2.258 178.407 176.094 0.093 0.000 1.046 61 V CA 1.930 64.330 62.300 0.167 0.000 1.007 61 V CB -1.485 30.396 31.823 0.098 0.000 0.638 61 V HN 0.548 nan 8.190 nan 0.000 0.445 62 G N -0.881 107.924 108.800 0.010 0.000 3.094 62 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.208 62 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.208 62 G C 1.207 176.099 174.900 -0.013 0.000 1.189 62 G CA 0.712 45.798 45.100 -0.022 0.000 0.856 62 G HN 0.538 nan 8.290 nan 0.000 0.510 63 K N -0.702 119.718 120.400 0.033 0.000 2.469 63 K HA 0.133 4.453 4.320 -0.001 0.000 0.228 63 K C 1.930 178.603 176.600 0.122 0.000 1.266 63 K CA -0.103 56.220 56.287 0.060 0.000 0.775 63 K CB -0.420 32.109 32.500 0.049 0.000 1.582 63 K HN 0.012 nan 8.250 nan 0.000 0.415 64 F N 3.216 123.203 119.950 0.061 0.000 2.082 64 F HA -0.266 4.261 4.527 -0.001 0.000 0.298 64 F C 1.622 177.519 175.800 0.161 0.000 1.091 64 F CA 1.821 59.879 58.000 0.097 0.000 1.230 64 F CB -0.693 38.346 39.000 0.065 0.000 0.983 64 F HN 0.117 nan 8.300 nan 0.000 0.485 65 L N 0.354 121.262 121.223 -0.525 0.000 2.056 65 L HA -0.049 4.290 4.340 -0.001 0.000 0.207 65 L C 2.749 179.556 176.870 -0.106 0.000 1.078 65 L CA 1.215 55.771 54.840 -0.474 0.000 0.749 65 L CB -1.538 40.367 42.059 -0.256 0.000 0.901 65 L HN 0.384 nan 8.230 nan 0.000 0.433 66 G N -2.038 106.745 108.800 -0.028 0.000 2.708 66 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.210 66 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.210 66 G C 0.999 175.949 174.900 0.083 0.000 1.141 66 G CA 0.404 45.519 45.100 0.026 0.000 0.788 66 G HN 0.341 nan 8.290 nan 0.000 0.531 67 Y N -0.671 119.582 120.300 -0.079 0.000 2.886 67 Y HA 0.200 4.749 4.550 -0.001 0.000 0.244 67 Y C 2.109 177.936 175.900 -0.122 0.000 1.017 67 Y CA 0.068 58.123 58.100 -0.074 0.000 1.389 67 Y CB 0.205 38.648 38.460 -0.029 0.000 1.477 67 Y HN -0.068 nan 8.280 nan 0.000 0.466 68 V N 2.753 122.530 119.914 -0.228 0.000 3.440 68 V HA -0.149 3.971 4.120 -0.001 0.000 0.274 68 V C 1.549 177.285 176.094 -0.596 0.000 1.207 68 V CA 1.053 63.105 62.300 -0.414 0.000 1.183 68 V CB -2.157 29.517 31.823 -0.248 0.000 0.837 68 V HN 0.541 nan 8.190 nan 0.000 0.532 69 S N 1.641 117.133 115.700 -0.347 0.000 2.465 69 S HA -0.143 4.327 4.470 -0.001 0.000 0.215 69 S C 2.130 176.606 174.600 -0.208 0.000 1.438 69 S CA 0.753 58.872 58.200 -0.136 0.000 1.223 69 S CB -0.827 62.368 63.200 -0.007 0.000 0.636 69 S HN 0.629 nan 8.310 nan 0.000 0.421 70 S N 1.021 116.678 115.700 -0.072 0.000 2.420 70 S HA -0.099 4.370 4.470 -0.001 0.000 0.237 70 S C 1.358 175.870 174.600 -0.146 0.000 1.023 70 S CA 1.278 59.435 58.200 -0.073 0.000 0.991 70 S CB -1.348 61.832 63.200 -0.033 0.000 0.792 70 S HN 0.924 nan 8.310 nan 0.000 0.488 71 L N -0.062 121.029 121.223 -0.221 0.000 4.179 71 L HA -0.178 4.162 4.340 -0.001 0.000 0.418 71 L C -0.502 176.276 176.870 -0.153 0.000 1.168 71 L CA 0.393 55.076 54.840 -0.261 0.000 0.972 71 L CB -2.158 39.734 42.059 -0.277 0.000 2.005 71 L HN 0.623 nan 8.230 nan 0.000 0.935 72 V N -6.492 113.359 119.914 -0.105 0.000 2.848 72 V HA 0.112 4.231 4.120 -0.001 0.000 0.252 72 V C 0.893 176.963 176.094 -0.040 0.000 1.760 72 V CA -0.846 61.419 62.300 -0.060 0.000 0.901 72 V CB 1.287 33.081 31.823 -0.048 0.000 1.324 72 V HN 0.086 nan 8.190 nan 0.000 0.464 73 E N 0.861 121.047 120.200 -0.023 0.000 2.153 73 E HA -0.056 4.294 4.350 -0.001 0.000 0.194 73 E C -1.335 175.258 176.600 -0.012 0.000 0.988 73 E CA 1.516 57.908 56.400 -0.014 0.000 0.811 73 E CB -0.572 29.126 29.700 -0.004 0.000 0.746 73 E HN 0.727 nan 8.360 nan 0.000 0.466 74 P HA -0.019 nan 4.420 nan 0.000 0.238 74 P C -0.699 176.595 177.300 -0.010 0.000 1.729 74 P CA 0.160 63.255 63.100 -0.009 0.000 1.055 74 P CB -0.513 31.182 31.700 -0.008 0.000 1.980 75 S N 1.337 117.032 115.700 -0.007 0.000 4.620 75 S HA -0.267 4.202 4.470 -0.001 0.000 0.552 75 S C 0.767 175.367 174.600 0.001 0.000 0.994 75 S CA 0.125 58.325 58.200 -0.001 0.000 0.991 75 S CB -0.153 63.049 63.200 0.003 0.000 1.522 75 S HN 0.430 nan 8.310 nan 0.000 0.402 76 K N 3.357 123.760 120.400 0.005 0.000 2.790 76 K HA 0.367 4.686 4.320 -0.001 0.000 0.229 76 K C -0.025 176.600 176.600 0.041 0.000 1.040 76 K CA 0.156 56.447 56.287 0.007 0.000 1.211 76 K CB -0.908 31.580 32.500 -0.020 0.000 1.002 76 K HN 0.797 nan 8.250 nan 0.000 0.479 77 V N -1.733 118.200 119.914 0.030 0.000 3.665 77 V HA -0.257 3.862 4.120 -0.001 0.000 0.523 77 V C 1.639 177.756 176.094 0.039 0.000 0.682 77 V CA 0.621 62.938 62.300 0.029 0.000 2.080 77 V CB -1.318 30.521 31.823 0.028 0.000 2.492 77 V HN 0.563 nan 8.190 nan 0.000 0.514 78 G N 0.249 109.054 108.800 0.009 0.000 2.745 78 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.225 78 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.225 78 G C 1.025 175.910 174.900 -0.026 0.000 1.108 78 G CA 1.761 46.850 45.100 -0.019 0.000 0.749 78 G HN 0.952 nan 8.290 nan 0.000 0.625 79 Q N -0.072 119.741 119.800 0.022 0.000 1.992 79 Q HA -0.204 4.136 4.340 -0.001 0.000 0.216 79 Q C 0.917 176.835 176.000 -0.137 0.000 1.047 79 Q CA 1.580 57.407 55.803 0.040 0.000 0.899 79 Q CB -0.567 28.380 28.738 0.347 0.000 1.021 79 Q HN 0.581 nan 8.270 nan 0.000 0.421 80 F N -0.883 119.040 119.950 -0.045 0.000 2.542 80 F HA 0.256 4.782 4.527 -0.001 0.000 0.323 80 F C 0.047 175.810 175.800 -0.060 0.000 1.411 80 F CA -0.499 57.463 58.000 -0.063 0.000 1.124 80 F CB 0.632 39.577 39.000 -0.091 0.000 1.331 80 F HN 0.050 nan 8.300 nan 0.000 0.560 81 D N -0.490 119.951 120.400 0.068 0.000 2.530 81 D HA 0.006 4.646 4.640 -0.001 0.000 0.290 81 D C 1.175 177.478 176.300 0.005 0.000 1.398 81 D CA 0.376 54.397 54.000 0.035 0.000 0.848 81 D CB 0.524 41.343 40.800 0.032 0.000 1.279 81 D HN 0.238 nan 8.370 nan 0.000 0.483 82 Q N -0.421 119.370 119.800 -0.015 0.000 2.439 82 Q HA 0.046 4.385 4.340 -0.001 0.000 0.193 82 Q C 1.006 176.989 176.000 -0.029 0.000 0.724 82 Q CA 0.507 56.297 55.803 -0.021 0.000 0.919 82 Q CB 0.183 28.898 28.738 -0.037 0.000 1.289 82 Q HN 0.075 nan 8.270 nan 0.000 0.440 83 V N 2.514 122.380 119.914 -0.079 0.000 2.546 83 V HA -0.219 3.900 4.120 -0.001 0.000 0.254 83 V C 2.481 178.544 176.094 -0.050 0.000 1.076 83 V CA 1.865 64.111 62.300 -0.091 0.000 1.087 83 V CB -0.674 31.018 31.823 -0.217 0.000 0.674 83 V HN 0.306 nan 8.190 nan 0.000 0.470 84 L N -0.047 121.149 121.223 -0.046 0.000 2.240 84 L HA 0.016 4.355 4.340 -0.001 0.000 0.211 84 L C 1.997 178.875 176.870 0.014 0.000 1.106 84 L CA 1.701 56.533 54.840 -0.014 0.000 0.793 84 L CB -0.692 41.369 42.059 0.003 0.000 0.927 84 L HN 0.252 nan 8.230 nan 0.000 0.446 85 N N -0.707 118.005 118.700 0.019 0.000 2.376 85 N HA -0.085 4.654 4.740 -0.001 0.000 0.177 85 N C 1.798 177.342 175.510 0.058 0.000 1.024 85 N CA 0.853 53.924 53.050 0.035 0.000 0.893 85 N CB 0.131 38.633 38.487 0.026 0.000 0.980 85 N HN 0.312 nan 8.380 nan 0.000 0.439 86 L N 1.453 122.717 121.223 0.069 0.000 2.079 86 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 86 L C 2.494 179.412 176.870 0.080 0.000 1.081 86 L CA 1.653 56.547 54.840 0.090 0.000 0.752 86 L CB -0.546 41.601 42.059 0.146 0.000 0.896 86 L HN 0.296 nan 8.230 nan 0.000 0.433 87 C N -3.382 115.966 119.300 0.079 0.000 2.519 87 C HA 0.132 4.591 4.460 -0.001 0.000 0.281 87 C C 2.433 177.513 174.990 0.150 0.000 1.331 87 C CA -0.301 58.776 59.018 0.098 0.000 1.725 87 C CB -1.317 26.468 27.740 0.074 0.000 2.079 87 C HN 0.469 nan 8.230 nan 0.000 0.496 88 L N 2.277 123.578 121.223 0.130 0.000 1.976 88 L HA -0.211 4.128 4.340 -0.001 0.000 0.223 88 L C 2.895 179.916 176.870 0.251 0.000 1.081 88 L CA 2.722 57.670 54.840 0.180 0.000 0.784 88 L CB -1.313 40.800 42.059 0.090 0.000 0.896 88 L HN 0.390 nan 8.230 nan 0.000 0.438 89 T N -1.674 112.977 114.554 0.161 0.000 2.788 89 T HA -0.211 4.138 4.350 -0.001 0.000 0.268 89 T C 1.702 176.481 174.700 0.133 0.000 1.044 89 T CA 1.212 63.394 62.100 0.136 0.000 1.139 89 T CB -0.232 68.688 68.868 0.085 0.000 0.867 89 T HN 0.366 nan 8.240 nan 0.000 0.454 90 E N 0.963 121.244 120.200 0.135 0.000 2.187 90 E HA -0.194 4.155 4.350 -0.001 0.000 0.199 90 E C 1.655 178.361 176.600 0.176 0.000 1.004 90 E CA 1.249 57.723 56.400 0.123 0.000 0.813 90 E CB -0.544 29.223 29.700 0.112 0.000 0.736 90 E HN 0.540 nan 8.360 nan 0.000 0.468 91 F N 1.156 121.159 119.950 0.088 0.000 2.219 91 F HA 0.155 4.681 4.527 -0.001 0.000 0.294 91 F C 1.885 177.740 175.800 0.092 0.000 1.086 91 F CA 1.359 59.418 58.000 0.098 0.000 1.330 91 F CB -0.371 38.720 39.000 0.152 0.000 1.047 91 F HN 0.066 nan 8.300 nan 0.000 0.495 92 E N 0.242 120.407 120.200 -0.058 0.000 2.533 92 E HA -0.132 4.217 4.350 -0.001 0.000 0.203 92 E C -0.256 176.248 176.600 -0.160 0.000 1.101 92 E CA 0.358 56.652 56.400 -0.177 0.000 0.894 92 E CB -0.466 29.263 29.700 0.047 0.000 0.843 92 E HN 0.396 nan 8.360 nan 0.000 0.552 93 N N -0.377 118.246 118.700 -0.129 0.000 2.646 93 N HA 0.079 4.819 4.740 -0.001 0.000 0.303 93 N C -0.150 175.332 175.510 -0.047 0.000 1.921 93 N CA 0.098 53.107 53.050 -0.068 0.000 0.872 93 N CB 0.772 39.250 38.487 -0.014 0.000 1.327 93 N HN 0.217 nan 8.380 nan 0.000 0.492 94 C N -2.053 117.193 119.300 -0.091 0.000 2.794 94 C HA 0.401 4.860 4.460 -0.001 0.000 0.443 94 C C 0.615 175.674 174.990 0.114 0.000 1.484 94 C CA -0.059 58.960 59.018 0.002 0.000 2.501 94 C CB 0.231 27.987 27.740 0.028 0.000 2.715 94 C HN 0.285 nan 8.230 nan 0.000 0.570 95 Y N 2.239 122.420 120.300 -0.197 0.000 2.892 95 Y HA 0.487 5.036 4.550 -0.001 0.000 0.242 95 Y C 0.787 176.562 175.900 -0.207 0.000 1.080 95 Y CA -0.608 57.401 58.100 -0.151 0.000 1.147 95 Y CB 0.174 38.585 38.460 -0.082 0.000 1.229 95 Y HN 0.525 nan 8.280 nan 0.000 0.633 96 L N -3.116 117.972 121.223 -0.226 0.000 2.688 96 L HA 0.471 4.810 4.340 -0.001 0.000 0.216 96 L C 0.104 176.850 176.870 -0.206 0.000 1.036 96 L CA -0.230 54.448 54.840 -0.271 0.000 0.906 96 L CB -0.170 41.634 42.059 -0.425 0.000 1.501 96 L HN -0.093 nan 8.230 nan 0.000 0.489 97 E N 2.317 122.409 120.200 -0.180 0.000 2.273 97 E HA -0.081 4.268 4.350 -0.001 0.000 0.177 97 E C 0.936 177.480 176.600 -0.093 0.000 1.511 97 E CA 0.403 56.734 56.400 -0.114 0.000 0.675 97 E CB -1.946 27.693 29.700 -0.101 0.000 1.094 97 E HN 0.803 nan 8.360 nan 0.000 0.348 98 G N 2.113 110.865 108.800 -0.080 0.000 2.591 98 G HA2 -0.563 3.396 3.960 -0.001 0.000 0.298 98 G HA3 -0.563 3.396 3.960 -0.001 0.000 0.298 98 G C 0.724 175.582 174.900 -0.070 0.000 1.195 98 G CA 1.127 46.203 45.100 -0.041 0.000 0.989 98 G HN 1.009 nan 8.290 nan 0.000 0.551 99 N N -0.686 117.981 118.700 -0.056 0.000 2.908 99 N HA -0.348 4.392 4.740 -0.001 0.000 0.227 99 N C 0.088 175.564 175.510 -0.056 0.000 0.834 99 N CA 2.434 55.443 53.050 -0.068 0.000 1.118 99 N CB -0.504 37.920 38.487 -0.105 0.000 1.008 99 N HN 1.820 nan 8.380 nan 0.000 0.623 100 D N -1.356 119.015 120.400 -0.050 0.000 10.353 100 D HA -0.129 4.510 4.640 -0.001 0.000 0.299 100 D C 0.788 177.064 176.300 -0.039 0.000 2.968 100 D CA 0.539 54.530 54.000 -0.015 0.000 2.730 100 D CB -0.571 40.239 40.800 0.018 0.000 1.136 100 D HN 0.124 nan 8.370 nan 0.000 0.868 101 I N 3.789 124.312 120.570 -0.078 0.000 2.151 101 I HA -0.250 3.919 4.170 -0.001 0.000 0.243 101 I C 2.361 178.530 176.117 0.086 0.000 1.080 101 I CA 1.614 62.864 61.300 -0.083 0.000 1.339 101 I CB -1.101 36.806 38.000 -0.154 0.000 1.039 101 I HN 0.605 nan 8.210 nan 0.000 0.409 102 H N -0.053 119.043 119.070 0.043 0.000 2.466 102 H HA -0.200 4.355 4.556 -0.001 0.000 0.297 102 H C 1.996 177.364 175.328 0.067 0.000 1.113 102 H CA 1.399 57.499 56.048 0.088 0.000 1.273 102 H CB 0.412 30.240 29.762 0.111 0.000 1.371 102 H HN 0.387 nan 8.280 nan 0.000 0.528 103 A N 0.456 123.336 122.820 0.099 0.000 1.984 103 A HA -0.043 4.276 4.320 -0.001 0.000 0.214 103 A C 2.154 179.697 177.584 -0.068 0.000 1.173 103 A CA 0.296 52.324 52.037 -0.015 0.000 0.673 103 A CB -0.242 18.723 19.000 -0.059 0.000 0.830 103 A HN 0.288 nan 8.150 nan 0.000 0.453 104 L N -0.260 120.933 121.223 -0.049 0.000 2.551 104 L HA 0.129 4.468 4.340 -0.001 0.000 0.228 104 L C 2.239 179.106 176.870 -0.005 0.000 1.153 104 L CA 1.310 56.123 54.840 -0.045 0.000 0.851 104 L CB -0.681 41.361 42.059 -0.029 0.000 0.959 104 L HN 0.318 nan 8.230 nan 0.000 0.451 105 A N -0.470 122.347 122.820 -0.004 0.000 1.929 105 A HA 0.029 4.348 4.320 -0.001 0.000 0.216 105 A C 2.467 180.051 177.584 0.001 0.000 1.176 105 A CA 1.233 53.269 52.037 -0.001 0.000 0.628 105 A CB -0.842 18.142 19.000 -0.027 0.000 0.816 105 A HN 0.501 nan 8.150 nan 0.000 0.444 106 A N 0.227 123.028 122.820 -0.032 0.000 1.933 106 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 106 A C 1.781 179.323 177.584 -0.070 0.000 1.175 106 A CA 1.520 53.503 52.037 -0.089 0.000 0.628 106 A CB -0.441 18.370 19.000 -0.316 0.000 0.814 106 A HN 0.483 nan 8.150 nan 0.000 0.444 107 K N -0.781 119.584 120.400 -0.058 0.000 2.773 107 K HA 0.228 4.548 4.320 -0.001 0.000 0.222 107 K C 0.342 176.966 176.600 0.041 0.000 0.985 107 K CA 0.259 56.541 56.287 -0.007 0.000 1.126 107 K CB -0.212 32.295 32.500 0.011 0.000 0.919 107 K HN 0.498 nan 8.250 nan 0.000 0.487 108 L N -1.577 119.654 121.223 0.013 0.000 2.567 108 L HA 0.053 4.392 4.340 -0.001 0.000 0.228 108 L C 1.580 178.450 176.870 0.001 0.000 1.046 108 L CA 0.029 54.876 54.840 0.011 0.000 1.013 108 L CB -0.022 42.040 42.059 0.006 0.000 1.944 108 L HN 0.067 nan 8.230 nan 0.000 0.510 109 L N 0.103 121.328 121.223 0.004 0.000 2.127 109 L HA -0.262 4.077 4.340 -0.001 0.000 0.211 109 L C 2.152 179.024 176.870 0.004 0.000 1.089 109 L CA 1.835 56.681 54.840 0.009 0.000 0.757 109 L CB 0.075 42.154 42.059 0.034 0.000 0.899 109 L HN 0.454 nan 8.230 nan 0.000 0.434 110 Q N -1.643 118.154 119.800 -0.005 0.000 2.462 110 Q HA -0.038 4.302 4.340 -0.001 0.000 0.224 110 Q C 1.766 177.762 176.000 -0.006 0.000 0.911 110 Q CA 0.216 56.014 55.803 -0.010 0.000 0.925 110 Q CB 0.383 29.106 28.738 -0.026 0.000 1.063 110 Q HN 0.512 nan 8.270 nan 0.000 0.572 111 E N 0.787 120.987 120.200 0.000 0.000 1.997 111 E HA -0.075 4.274 4.350 -0.001 0.000 0.196 111 E C 1.034 177.638 176.600 0.006 0.000 0.990 111 E CA 0.480 56.887 56.400 0.011 0.000 0.845 111 E CB 0.042 29.765 29.700 0.039 0.000 0.795 111 E HN 0.134 nan 8.360 nan 0.000 0.479 112 N N 1.337 120.040 118.700 0.005 0.000 2.471 112 N HA -0.051 4.688 4.740 -0.001 0.000 0.290 112 N C -0.711 174.792 175.510 -0.012 0.000 1.345 112 N CA -0.002 53.044 53.050 -0.007 0.000 0.920 112 N CB -0.086 38.392 38.487 -0.016 0.000 1.093 112 N HN 0.147 nan 8.380 nan 0.000 0.499 113 D N 0.817 121.204 120.400 -0.021 0.000 2.660 113 D HA -0.094 4.545 4.640 -0.001 0.000 0.253 113 D C -0.610 175.678 176.300 -0.021 0.000 1.256 113 D CA 0.469 54.455 54.000 -0.024 0.000 0.914 113 D CB -0.565 40.211 40.800 -0.040 0.000 1.137 113 D HN 0.173 nan 8.370 nan 0.000 0.542 114 T N 3.409 117.956 114.554 -0.012 0.000 3.859 114 T HA 0.173 4.522 4.350 -0.001 0.000 0.251 114 T C 0.476 175.171 174.700 -0.010 0.000 1.079 114 T CA -0.181 61.914 62.100 -0.007 0.000 1.151 114 T CB -0.617 68.250 68.868 -0.001 0.000 1.173 114 T HN 0.579 nan 8.240 nan 0.000 0.885 115 T N -0.009 114.532 114.554 -0.021 0.000 2.863 115 T HA 0.580 4.929 4.350 -0.001 0.000 0.285 115 T C 0.768 175.448 174.700 -0.033 0.000 1.009 115 T CA -1.069 61.013 62.100 -0.030 0.000 0.989 115 T CB 1.839 70.670 68.868 -0.061 0.000 1.004 115 T HN 0.144 nan 8.240 nan 0.000 0.455 116 L N 3.500 124.708 121.223 -0.025 0.000 2.185 116 L HA 0.292 4.631 4.340 -0.001 0.000 0.198 116 L C 2.214 179.052 176.870 -0.052 0.000 1.079 116 L CA 1.118 55.941 54.840 -0.028 0.000 0.780 116 L CB -0.775 41.278 42.059 -0.010 0.000 0.955 116 L HN 0.606 nan 8.230 nan 0.000 0.462 117 V N 0.587 120.471 119.914 -0.050 0.000 2.594 117 V HA -0.180 3.939 4.120 -0.001 0.000 0.253 117 V C 2.433 178.440 176.094 -0.146 0.000 1.069 117 V CA 1.378 63.633 62.300 -0.076 0.000 1.082 117 V CB -1.002 30.804 31.823 -0.027 0.000 0.680 117 V HN 0.395 nan 8.190 nan 0.000 0.469 118 K N -0.261 120.038 120.400 -0.168 0.000 2.432 118 K HA 0.040 4.359 4.320 -0.001 0.000 0.196 118 K C 1.940 178.458 176.600 -0.138 0.000 1.038 118 K CA 0.843 57.006 56.287 -0.207 0.000 0.986 118 K CB -0.165 32.204 32.500 -0.218 0.000 0.782 118 K HN 0.477 nan 8.250 nan 0.000 0.485 119 T N 0.393 114.885 114.554 -0.103 0.000 3.042 119 T HA 0.090 4.440 4.350 -0.001 0.000 0.245 119 T C 1.700 176.347 174.700 -0.089 0.000 1.029 119 T CA 0.274 62.327 62.100 -0.078 0.000 1.120 119 T CB 0.382 69.216 68.868 -0.057 0.000 0.917 119 T HN 0.100 nan 8.240 nan 0.000 0.467 120 K N 1.404 121.742 120.400 -0.104 0.000 2.026 120 K HA -0.124 4.196 4.320 -0.001 0.000 0.208 120 K C 2.323 178.843 176.600 -0.133 0.000 1.048 120 K CA 1.266 57.475 56.287 -0.130 0.000 0.929 120 K CB -0.146 32.279 32.500 -0.126 0.000 0.713 120 K HN 0.439 nan 8.250 nan 0.000 0.439 121 E N 1.553 121.679 120.200 -0.123 0.000 2.038 121 E HA -0.232 4.117 4.350 -0.001 0.000 0.195 121 E C 2.190 178.740 176.600 -0.082 0.000 1.000 121 E CA 1.155 57.486 56.400 -0.114 0.000 0.803 121 E CB -0.195 29.426 29.700 -0.131 0.000 0.750 121 E HN 0.259 nan 8.360 nan 0.000 0.448 122 L N 0.855 122.031 121.223 -0.078 0.000 2.034 122 L HA -0.279 4.061 4.340 -0.001 0.000 0.217 122 L C 2.348 179.226 176.870 0.014 0.000 1.077 122 L CA 1.897 56.710 54.840 -0.045 0.000 0.769 122 L CB -0.351 41.685 42.059 -0.039 0.000 0.890 122 L HN 0.271 nan 8.230 nan 0.000 0.435 123 I N -0.119 120.462 120.570 0.019 0.000 2.090 123 I HA -0.351 3.819 4.170 -0.001 0.000 0.236 123 I C 2.685 178.877 176.117 0.125 0.000 1.064 123 I CA 1.917 63.284 61.300 0.112 0.000 1.324 123 I CB -0.658 37.390 38.000 0.079 0.000 1.044 123 I HN 0.324 nan 8.210 nan 0.000 0.399 124 K N 1.225 121.627 120.400 0.005 0.000 2.107 124 K HA -0.294 4.025 4.320 -0.001 0.000 0.211 124 K C 1.848 178.480 176.600 0.052 0.000 1.049 124 K CA 2.396 58.686 56.287 0.004 0.000 0.927 124 K CB -0.196 32.257 32.500 -0.079 0.000 0.714 124 K HN 0.268 nan 8.250 nan 0.000 0.452 125 N N -0.050 118.671 118.700 0.037 0.000 2.007 125 N HA -0.214 4.526 4.740 -0.001 0.000 0.197 125 N C 1.503 177.063 175.510 0.083 0.000 1.050 125 N CA 1.751 54.821 53.050 0.034 0.000 0.856 125 N CB -0.725 37.755 38.487 -0.011 0.000 1.050 125 N HN 0.259 nan 8.380 nan 0.000 0.423 126 Y N 1.395 121.695 120.300 0.000 0.000 2.194 126 Y HA -0.164 4.386 4.550 -0.001 0.000 0.239 126 Y C 2.243 178.206 175.900 0.105 0.000 1.040 126 Y CA 1.401 59.538 58.100 0.062 0.000 1.036 126 Y CB -0.932 37.622 38.460 0.156 0.000 0.992 126 Y HN 0.021 nan 8.280 nan 0.000 0.486 127 I N -0.352 120.332 120.570 0.191 0.000 2.242 127 I HA -0.557 3.612 4.170 -0.001 0.000 0.242 127 I C 2.181 178.315 176.117 0.029 0.000 0.998 127 I CA 2.279 63.642 61.300 0.104 0.000 1.283 127 I CB -1.017 37.139 38.000 0.260 0.000 0.985 127 I HN 0.441 nan 8.210 nan 0.000 0.415 128 T N 0.330 114.922 114.554 0.063 0.000 2.701 128 T HA -0.107 4.242 4.350 -0.001 0.000 0.263 128 T C 2.027 176.737 174.700 0.016 0.000 1.040 128 T CA 1.453 63.589 62.100 0.060 0.000 1.147 128 T CB -0.393 68.526 68.868 0.084 0.000 0.865 128 T HN 0.539 nan 8.240 nan 0.000 0.426 129 A N 1.831 124.644 122.820 -0.011 0.000 1.917 129 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 129 A C 2.249 179.786 177.584 -0.080 0.000 1.182 129 A CA 2.172 54.190 52.037 -0.032 0.000 0.633 129 A CB -0.699 18.276 19.000 -0.041 0.000 0.819 129 A HN 0.447 nan 8.150 nan 0.000 0.448 130 R N -0.600 119.789 120.500 -0.185 0.000 2.113 130 R HA -0.112 4.228 4.340 -0.001 0.000 0.231 130 R C 2.061 178.317 176.300 -0.075 0.000 1.129 130 R CA 2.023 58.001 56.100 -0.204 0.000 0.915 130 R CB -0.506 29.576 30.300 -0.365 0.000 0.837 130 R HN 0.519 nan 8.270 nan 0.000 0.430 131 I N 0.946 121.501 120.570 -0.025 0.000 3.010 131 I HA -0.122 4.047 4.170 -0.001 0.000 0.271 131 I C 0.087 176.212 176.117 0.013 0.000 1.293 131 I CA 0.391 61.707 61.300 0.026 0.000 1.452 131 I CB 0.189 38.241 38.000 0.088 0.000 1.082 131 I HN 0.302 nan 8.210 nan 0.000 0.484 132 M N 1.577 121.177 119.600 0.000 0.000 2.497 132 M HA 0.238 4.718 4.480 -0.001 0.000 0.336 132 M C 0.736 177.031 176.300 -0.008 0.000 1.378 132 M CA 0.645 55.945 55.300 0.000 0.000 1.375 132 M CB -0.375 32.229 32.600 0.007 0.000 1.337 132 M HN 0.422 nan 8.290 nan 0.000 0.461 133 A N 3.438 126.253 122.820 -0.009 0.000 4.131 133 A HA -0.183 4.137 4.320 -0.001 0.000 0.256 133 A C 0.155 177.729 177.584 -0.017 0.000 2.324 133 A CA 0.276 52.307 52.037 -0.010 0.000 0.795 133 A CB -0.619 18.379 19.000 -0.004 0.000 1.077 133 A HN 0.560 nan 8.150 nan 0.000 0.407 134 K N 0.060 120.449 120.400 -0.018 0.000 2.393 134 K HA 0.757 5.076 4.320 -0.001 0.000 0.241 134 K C 0.401 176.981 176.600 -0.033 0.000 1.055 134 K CA -0.522 55.750 56.287 -0.024 0.000 0.951 134 K CB 0.425 32.918 32.500 -0.012 0.000 1.285 134 K HN 0.621 nan 8.250 nan 0.000 0.500 135 R N -1.681 118.799 120.500 -0.035 0.000 3.951 135 R HA -0.104 4.236 4.340 -0.001 0.000 0.352 135 R C -2.424 173.840 176.300 -0.059 0.000 1.178 135 R CA 0.176 56.255 56.100 -0.035 0.000 0.949 135 R CB -3.235 27.053 30.300 -0.020 0.000 1.452 135 R HN 0.600 nan 8.270 nan 0.000 0.540 136 P HA -0.158 nan 4.420 nan 0.000 0.266 136 P C 1.165 178.318 177.300 -0.245 0.000 1.162 136 P CA 0.689 63.672 63.100 -0.195 0.000 0.758 136 P CB 0.000 31.507 31.700 -0.322 0.000 0.774 137 F N 0.593 120.548 119.950 0.008 0.000 2.178 137 F HA -0.271 4.255 4.527 -0.001 0.000 0.299 137 F C 0.764 176.602 175.800 0.063 0.000 1.045 137 F CA 1.012 59.028 58.000 0.027 0.000 1.307 137 F CB -1.285 37.718 39.000 0.006 0.000 1.060 137 F HN 0.183 nan 8.300 nan 0.000 0.506 138 D N 1.099 121.314 120.400 -0.308 0.000 2.348 138 D HA 0.159 4.798 4.640 -0.001 0.000 0.253 138 D C 0.820 177.123 176.300 0.004 0.000 1.161 138 D CA 0.175 54.145 54.000 -0.049 0.000 0.876 138 D CB 1.435 42.126 40.800 -0.182 0.000 1.160 138 D HN 0.277 nan 8.370 nan 0.000 0.459 139 K N 2.331 122.784 120.400 0.088 0.000 2.473 139 K HA 0.027 4.347 4.320 -0.001 0.000 0.183 139 K C 0.795 177.463 176.600 0.112 0.000 1.854 139 K CA 0.050 56.382 56.287 0.075 0.000 1.084 139 K CB 0.197 32.740 32.500 0.073 0.000 1.684 139 K HN 0.412 nan 8.250 nan 0.000 0.565 140 K N -0.431 120.073 120.400 0.174 0.000 9.127 140 K HA -0.237 4.083 4.320 -0.001 0.000 0.501 140 K C -0.381 176.376 176.600 0.260 0.000 0.371 140 K CA 2.028 58.465 56.287 0.250 0.000 1.951 140 K CB -2.247 30.356 32.500 0.172 0.000 0.721 140 K HN 0.472 nan 8.250 nan 0.000 1.023 141 S N 2.690 118.493 115.700 0.172 0.000 2.573 141 S HA 0.086 4.555 4.470 -0.001 0.000 0.297 141 S C 0.165 174.839 174.600 0.123 0.000 1.280 141 S CA -0.135 58.154 58.200 0.149 0.000 1.061 141 S CB 0.524 63.783 63.200 0.099 0.000 0.812 141 S HN 0.289 nan 8.310 nan 0.000 0.500 142 N N 1.498 120.270 118.700 0.119 0.000 2.469 142 N HA 0.404 5.143 4.740 -0.001 0.000 0.286 142 N C 0.599 176.142 175.510 0.056 0.000 1.275 142 N CA -0.750 52.332 53.050 0.053 0.000 0.790 142 N CB 1.946 40.435 38.487 0.002 0.000 1.446 142 N HN 0.574 nan 8.380 nan 0.000 0.501 143 S N 0.454 116.167 115.700 0.022 0.000 2.455 143 S HA 0.182 4.652 4.470 -0.001 0.000 0.199 143 S C 0.852 175.483 174.600 0.053 0.000 1.169 143 S CA 1.298 59.512 58.200 0.023 0.000 1.503 143 S CB -0.080 63.116 63.200 -0.007 0.000 0.960 143 S HN 0.785 nan 8.310 nan 0.000 0.385 144 A N -0.919 121.933 122.820 0.054 0.000 3.785 144 A HA 0.642 4.961 4.320 -0.001 0.000 0.171 144 A C -0.058 177.602 177.584 0.126 0.000 0.708 144 A CA -0.096 51.995 52.037 0.090 0.000 0.959 144 A CB -0.912 18.123 19.000 0.059 0.000 1.828 144 A HN 0.809 nan 8.150 nan 0.000 0.804 145 L N -1.797 119.492 121.223 0.110 0.000 4.244 145 L HA -0.223 4.117 4.340 -0.001 0.000 0.449 145 L C 0.212 177.251 176.870 0.282 0.000 1.095 145 L CA 2.327 57.240 54.840 0.122 0.000 0.983 145 L CB -1.239 40.844 42.059 0.040 0.000 1.840 145 L HN 0.826 nan 8.230 nan 0.000 1.085 146 F N -2.463 117.504 119.950 0.028 0.000 2.897 146 F HA 0.225 4.751 4.527 -0.001 0.000 0.377 146 F C 1.888 177.770 175.800 0.138 0.000 0.917 146 F CA 0.524 58.550 58.000 0.042 0.000 1.079 146 F CB -0.067 38.892 39.000 -0.068 0.000 1.068 146 F HN 0.001 nan 8.300 nan 0.000 0.581 147 R N 0.945 121.565 120.500 0.201 0.000 2.097 147 R HA -0.092 4.247 4.340 -0.001 0.000 0.236 147 R C 2.238 178.615 176.300 0.127 0.000 1.135 147 R CA 1.500 57.704 56.100 0.173 0.000 0.934 147 R CB -1.151 29.229 30.300 0.132 0.000 0.846 147 R HN 0.201 nan 8.270 nan 0.000 0.431 148 A N 1.281 124.168 122.820 0.111 0.000 2.261 148 A HA -0.274 4.046 4.320 -0.001 0.000 0.271 148 A C 1.314 178.931 177.584 0.054 0.000 2.785 148 A CA 2.386 54.478 52.037 0.092 0.000 1.014 148 A CB -1.559 17.527 19.000 0.145 0.000 0.645 148 A HN 0.192 nan 8.150 nan 0.000 0.482 149 V N -0.138 119.801 119.914 0.042 0.000 2.304 149 V HA 0.435 4.555 4.120 -0.001 0.000 0.239 149 V C 1.302 177.390 176.094 -0.011 0.000 1.201 149 V CA 1.181 63.482 62.300 0.002 0.000 1.254 149 V CB -0.879 30.942 31.823 -0.003 0.000 1.335 149 V HN 1.354 nan 8.190 nan 0.000 0.491 150 G N 3.374 112.145 108.800 -0.047 0.000 3.990 150 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.213 150 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.213 150 G C 0.496 175.370 174.900 -0.043 0.000 0.849 150 G CA -0.055 44.984 45.100 -0.102 0.000 0.857 150 G HN 0.542 nan 8.290 nan 0.000 0.484 151 E N 0.114 120.311 120.200 -0.004 0.000 2.526 151 E HA 0.373 4.723 4.350 -0.001 0.000 0.208 151 E C 1.630 178.226 176.600 -0.007 0.000 0.997 151 E CA 0.247 56.648 56.400 0.002 0.000 0.961 151 E CB 1.081 30.797 29.700 0.026 0.000 1.030 151 E HN 0.878 nan 8.360 nan 0.000 0.483 152 G N 1.998 110.788 108.800 -0.017 0.000 2.179 152 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.260 152 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.260 152 G C 0.866 175.760 174.900 -0.011 0.000 0.977 152 G CA 0.456 45.544 45.100 -0.020 0.000 0.641 152 G HN 0.211 nan 8.290 nan 0.000 0.533 153 N N 0.604 119.305 118.700 0.003 0.000 2.396 153 N HA 0.311 5.050 4.740 -0.001 0.000 0.180 153 N C 1.101 176.608 175.510 -0.003 0.000 1.028 153 N CA 1.498 54.553 53.050 0.009 0.000 0.893 153 N CB 0.169 38.674 38.487 0.030 0.000 0.967 153 N HN 1.097 nan 8.380 nan 0.000 0.440 154 A N -0.201 122.614 122.820 -0.009 0.000 2.529 154 A HA 0.641 4.961 4.320 -0.001 0.000 0.296 154 A C -1.511 176.043 177.584 -0.049 0.000 1.205 154 A CA -0.583 51.424 52.037 -0.051 0.000 0.671 154 A CB 1.529 20.513 19.000 -0.027 0.000 1.301 154 A HN 0.017 nan 8.150 nan 0.000 0.450 155 Q N -0.422 119.326 119.800 -0.087 0.000 2.289 155 Q HA 0.570 4.909 4.340 -0.001 0.000 0.270 155 Q C -1.872 174.106 176.000 -0.037 0.000 1.038 155 Q CA -0.639 55.128 55.803 -0.060 0.000 0.812 155 Q CB 2.661 31.354 28.738 -0.076 0.000 1.300 155 Q HN 0.584 nan 8.270 nan 0.000 0.427 156 L N 2.195 123.425 121.223 0.011 0.000 2.331 156 L HA 0.700 5.039 4.340 -0.001 0.000 0.275 156 L C -1.140 175.719 176.870 -0.018 0.000 1.022 156 L CA -0.573 54.307 54.840 0.067 0.000 0.812 156 L CB 2.023 44.174 42.059 0.154 0.000 1.257 156 L HN 0.474 nan 8.230 nan 0.000 0.435 157 V N 2.221 122.118 119.914 -0.029 0.000 3.040 157 V HA 0.941 5.060 4.120 -0.001 0.000 0.312 157 V C -0.579 175.521 176.094 0.011 0.000 1.115 157 V CA -0.616 61.590 62.300 -0.156 0.000 0.998 157 V CB 1.698 33.257 31.823 -0.439 0.000 1.042 157 V HN 0.918 nan 8.190 nan 0.000 0.433 158 A N 2.985 125.829 122.820 0.040 0.000 2.413 158 A HA 1.010 5.329 4.320 -0.001 0.000 0.307 158 A C -1.158 176.493 177.584 0.111 0.000 1.087 158 A CA -0.576 51.554 52.037 0.156 0.000 0.750 158 A CB 1.473 20.628 19.000 0.258 0.000 1.296 158 A HN 0.741 nan 8.150 nan 0.000 0.423 159 I N -0.263 120.276 120.570 -0.052 0.000 3.004 159 I HA 0.537 4.706 4.170 -0.001 0.000 0.305 159 I C -1.778 174.127 176.117 -0.353 0.000 1.312 159 I CA -0.335 60.985 61.300 0.033 0.000 0.992 159 I CB 2.528 40.641 38.000 0.187 0.000 1.282 159 I HN 0.571 nan 8.210 nan 0.000 0.449 160 F N 1.388 121.515 119.950 0.295 0.000 2.574 160 F HA 0.679 5.206 4.527 -0.001 0.000 0.313 160 F C 0.536 176.521 175.800 0.308 0.000 1.130 160 F CA -0.593 57.575 58.000 0.280 0.000 0.936 160 F CB 1.905 41.020 39.000 0.192 0.000 1.219 160 F HN 0.437 nan 8.300 nan 0.000 0.445 161 G N 0.295 109.334 108.800 0.397 0.000 2.583 161 G HA2 0.740 4.699 3.960 -0.001 0.000 0.280 161 G HA3 0.740 4.699 3.960 -0.001 0.000 0.280 161 G C -0.655 174.429 174.900 0.307 0.000 1.376 161 G CA -0.705 44.620 45.100 0.376 0.000 1.043 161 G HN 1.014 nan 8.290 nan 0.000 0.538 162 G N -2.702 106.254 108.800 0.261 0.000 2.702 162 G HA2 0.454 4.413 3.960 -0.001 0.000 0.296 162 G HA3 0.454 4.413 3.960 -0.001 0.000 0.296 162 G C -0.313 174.635 174.900 0.080 0.000 1.463 162 G CA -0.202 44.993 45.100 0.158 0.000 0.890 162 G HN 0.703 nan 8.290 nan 0.000 0.534 163 Q N -1.567 118.201 119.800 -0.053 0.000 2.450 163 Q HA -0.167 4.173 4.340 -0.001 0.000 0.255 163 Q C 1.112 177.095 176.000 -0.030 0.000 1.003 163 Q CA 1.196 56.950 55.803 -0.083 0.000 1.097 163 Q CB -2.118 26.528 28.738 -0.154 0.000 1.544 163 Q HN 1.727 nan 8.270 nan 0.000 0.531 164 G N 1.271 110.054 108.800 -0.028 0.000 2.825 164 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.241 164 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.241 164 G C 0.529 175.421 174.900 -0.014 0.000 1.239 164 G CA -0.320 44.774 45.100 -0.011 0.000 0.859 164 G HN 0.326 nan 8.290 nan 0.000 0.598 165 N N 0.875 119.562 118.700 -0.020 0.000 2.874 165 N HA 0.037 4.776 4.740 -0.001 0.000 0.316 165 N C -0.273 175.241 175.510 0.008 0.000 1.205 165 N CA 0.769 53.815 53.050 -0.007 0.000 1.180 165 N CB -0.095 38.374 38.487 -0.031 0.000 1.450 165 N HN 0.292 nan 8.380 nan 0.000 0.528 166 T N 0.122 114.701 114.554 0.042 0.000 3.172 166 T HA 0.099 4.448 4.350 -0.001 0.000 0.320 166 T C -0.218 174.591 174.700 0.182 0.000 1.085 166 T CA -0.898 61.250 62.100 0.079 0.000 1.052 166 T CB 1.636 70.537 68.868 0.056 0.000 1.107 166 T HN 0.273 nan 8.240 nan 0.000 0.458 167 D N 1.575 122.069 120.400 0.156 0.000 2.722 167 D HA 0.148 4.788 4.640 -0.001 0.000 0.239 167 D C -0.070 176.330 176.300 0.167 0.000 1.249 167 D CA -0.261 53.834 54.000 0.158 0.000 0.830 167 D CB 0.648 41.493 40.800 0.075 0.000 1.025 167 D HN 0.420 nan 8.370 nan 0.000 0.486 168 D N -0.464 120.101 120.400 0.273 0.000 2.929 168 D HA -0.040 4.600 4.640 -0.001 0.000 0.291 168 D C 0.642 177.196 176.300 0.424 0.000 1.086 168 D CA 0.044 54.196 54.000 0.254 0.000 0.971 168 D CB 0.293 41.199 40.800 0.176 0.000 1.275 168 D HN -0.009 nan 8.370 nan 0.000 0.469 169 Y N 0.378 120.755 120.300 0.127 0.000 2.819 169 Y HA -0.414 4.136 4.550 -0.001 0.000 0.471 169 Y C 1.665 177.697 175.900 0.220 0.000 1.144 169 Y CA 0.620 58.824 58.100 0.173 0.000 2.720 169 Y CB -2.112 36.463 38.460 0.192 0.000 1.169 169 Y HN 0.054 nan 8.280 nan 0.000 0.619 170 F N 1.525 121.686 119.950 0.350 0.000 2.167 170 F HA -0.290 4.237 4.527 -0.001 0.000 0.301 170 F C 2.120 178.031 175.800 0.185 0.000 1.066 170 F CA 2.425 60.569 58.000 0.241 0.000 1.285 170 F CB -0.233 38.891 39.000 0.206 0.000 1.032 170 F HN 0.342 nan 8.300 nan 0.000 0.495 171 E N -0.173 120.179 120.200 0.253 0.000 2.510 171 E HA -0.196 4.153 4.350 -0.001 0.000 0.202 171 E C 1.773 178.413 176.600 0.065 0.000 1.072 171 E CA 0.999 57.476 56.400 0.128 0.000 0.883 171 E CB -0.103 29.683 29.700 0.143 0.000 0.818 171 E HN 0.574 nan 8.360 nan 0.000 0.548 172 E N 0.571 120.816 120.200 0.076 0.000 2.152 172 E HA 0.050 4.399 4.350 -0.001 0.000 0.195 172 E C 1.958 178.590 176.600 0.054 0.000 0.934 172 E CA 0.040 56.495 56.400 0.092 0.000 0.869 172 E CB -0.335 29.448 29.700 0.139 0.000 0.842 172 E HN 0.179 nan 8.360 nan 0.000 0.472 173 L N 0.677 121.895 121.223 -0.007 0.000 2.042 173 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 173 L C 2.679 179.456 176.870 -0.154 0.000 1.076 173 L CA 1.722 56.520 54.840 -0.070 0.000 0.749 173 L CB -0.214 41.789 42.059 -0.093 0.000 0.893 173 L HN 0.137 nan 8.230 nan 0.000 0.432 174 R N -0.193 120.080 120.500 -0.379 0.000 2.070 174 R HA -0.170 4.169 4.340 -0.001 0.000 0.233 174 R C 1.101 177.368 176.300 -0.054 0.000 1.137 174 R CA 1.816 57.762 56.100 -0.257 0.000 0.945 174 R CB -0.211 29.884 30.300 -0.341 0.000 0.845 174 R HN 0.412 nan 8.270 nan 0.000 0.430 175 D N 0.565 120.934 120.400 -0.050 0.000 2.395 175 D HA -0.044 4.595 4.640 -0.001 0.000 0.250 175 D C 0.854 177.168 176.300 0.023 0.000 1.203 175 D CA 0.347 54.337 54.000 -0.016 0.000 0.872 175 D CB 0.658 41.460 40.800 0.004 0.000 0.941 175 D HN 0.193 nan 8.370 nan 0.000 0.504 176 L N -1.306 119.949 121.223 0.053 0.000 2.678 176 L HA 0.092 4.432 4.340 -0.001 0.000 0.211 176 L C 1.605 178.571 176.870 0.161 0.000 1.043 176 L CA 0.206 55.132 54.840 0.143 0.000 0.881 176 L CB -0.475 41.646 42.059 0.103 0.000 1.361 176 L HN -0.130 nan 8.230 nan 0.000 0.484 177 Y N 1.200 121.479 120.300 -0.035 0.000 2.070 177 Y HA -0.263 4.286 4.550 -0.001 0.000 0.279 177 Y C 2.743 178.554 175.900 -0.148 0.000 1.134 177 Y CA 2.613 60.677 58.100 -0.059 0.000 1.113 177 Y CB -0.777 37.633 38.460 -0.082 0.000 0.981 177 Y HN 0.455 nan 8.280 nan 0.000 0.487 178 Q N 0.257 119.850 119.800 -0.346 0.000 2.096 178 Q HA -0.194 4.145 4.340 -0.001 0.000 0.208 178 Q C 2.032 177.789 176.000 -0.406 0.000 0.993 178 Q CA 3.253 58.754 55.803 -0.503 0.000 0.862 178 Q CB -0.917 27.679 28.738 -0.236 0.000 0.915 178 Q HN 0.586 nan 8.270 nan 0.000 0.416 179 T N -0.409 113.976 114.554 -0.282 0.000 2.570 179 T HA -0.210 4.139 4.350 -0.001 0.000 0.266 179 T C -0.093 174.331 174.700 -0.459 0.000 1.071 179 T CA 2.048 63.890 62.100 -0.429 0.000 1.172 179 T CB -0.439 68.084 68.868 -0.575 0.000 0.864 179 T HN 0.405 nan 8.240 nan 0.000 0.421 180 Y N 0.894 121.152 120.300 -0.070 0.000 2.842 180 Y HA 0.426 4.975 4.550 -0.001 0.000 0.334 180 Y C 1.089 176.957 175.900 -0.054 0.000 1.019 180 Y CA -1.125 56.958 58.100 -0.028 0.000 1.258 180 Y CB 0.034 38.502 38.460 0.014 0.000 1.106 180 Y HN 0.158 nan 8.280 nan 0.000 0.545 181 H N 1.215 120.273 119.070 -0.021 0.000 2.265 181 H HA -0.174 4.381 4.556 -0.001 0.000 0.293 181 H C 1.775 177.129 175.328 0.042 0.000 1.089 181 H CA 2.374 58.368 56.048 -0.090 0.000 1.244 181 H CB 0.057 29.762 29.762 -0.096 0.000 1.355 181 H HN 0.508 nan 8.280 nan 0.000 0.485 182 V N 1.688 121.728 119.914 0.209 0.000 2.232 182 V HA -0.285 3.835 4.120 -0.001 0.000 0.241 182 V C 2.450 178.578 176.094 0.056 0.000 1.036 182 V CA 1.928 64.301 62.300 0.121 0.000 0.993 182 V CB -0.985 30.898 31.823 0.100 0.000 0.639 182 V HN 0.336 nan 8.190 nan 0.000 0.459 183 L N 0.322 121.545 121.223 0.001 0.000 3.475 183 L HA -0.054 4.285 4.340 -0.001 0.000 0.268 183 L C 1.073 177.887 176.870 -0.094 0.000 1.182 183 L CA 0.696 55.454 54.840 -0.136 0.000 0.878 183 L CB -0.834 41.086 42.059 -0.231 0.000 1.212 183 L HN 0.387 nan 8.230 nan 0.000 0.442 184 V N -2.001 117.923 119.914 0.016 0.000 5.101 184 V HA 0.005 4.125 4.120 -0.001 0.000 0.610 184 V C 1.873 178.063 176.094 0.161 0.000 2.130 184 V CA 0.685 63.032 62.300 0.078 0.000 2.793 184 V CB -0.066 31.808 31.823 0.085 0.000 1.016 184 V HN 0.341 nan 8.190 nan 0.000 0.439 185 G N 0.480 109.397 108.800 0.196 0.000 2.517 185 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.222 185 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.222 185 G C 0.770 175.775 174.900 0.175 0.000 1.109 185 G CA 1.638 46.886 45.100 0.246 0.000 0.746 185 G HN 0.586 nan 8.290 nan 0.000 0.576 186 D N 0.187 120.682 120.400 0.158 0.000 2.003 186 D HA -0.068 4.571 4.640 -0.001 0.000 0.251 186 D C 2.601 179.036 176.300 0.225 0.000 1.063 186 D CA 0.368 54.490 54.000 0.203 0.000 0.968 186 D CB -0.780 40.171 40.800 0.252 0.000 1.349 186 D HN 0.084 nan 8.370 nan 0.000 0.514 187 L N 0.298 121.699 121.223 0.297 0.000 2.149 187 L HA -0.278 4.061 4.340 -0.001 0.000 0.223 187 L C 2.193 179.178 176.870 0.191 0.000 1.089 187 L CA 0.884 55.906 54.840 0.304 0.000 0.800 187 L CB -0.420 41.807 42.059 0.281 0.000 0.897 187 L HN 0.252 nan 8.230 nan 0.000 0.443 188 I N -0.111 120.541 120.570 0.137 0.000 2.040 188 I HA -0.317 3.852 4.170 -0.001 0.000 0.224 188 I C 2.482 178.617 176.117 0.030 0.000 1.038 188 I CA 1.483 62.814 61.300 0.052 0.000 1.330 188 I CB -1.290 36.724 38.000 0.023 0.000 1.076 188 I HN 0.202 nan 8.210 nan 0.000 0.388 189 K N 0.864 121.289 120.400 0.042 0.000 2.127 189 K HA -0.284 4.035 4.320 -0.001 0.000 0.212 189 K C 2.079 178.706 176.600 0.045 0.000 1.050 189 K CA 1.804 58.110 56.287 0.033 0.000 0.929 189 K CB -0.856 31.686 32.500 0.071 0.000 0.715 189 K HN 0.207 nan 8.250 nan 0.000 0.457 190 F N 1.468 121.339 119.950 -0.133 0.000 1.988 190 F HA -0.220 4.306 4.527 -0.001 0.000 0.296 190 F C 2.430 178.118 175.800 -0.186 0.000 1.178 190 F CA 2.460 60.315 58.000 -0.241 0.000 1.174 190 F CB -1.406 37.346 39.000 -0.412 0.000 0.963 190 F HN 0.266 nan 8.300 nan 0.000 0.489 191 S N 1.060 116.603 115.700 -0.262 0.000 2.428 191 S HA -0.305 4.164 4.470 -0.001 0.000 0.240 191 S C 2.153 176.609 174.600 -0.239 0.000 1.036 191 S CA 1.315 59.319 58.200 -0.326 0.000 1.009 191 S CB -1.660 61.468 63.200 -0.119 0.000 0.803 191 S HN 0.635 nan 8.310 nan 0.000 0.486 192 A N 2.768 125.492 122.820 -0.160 0.000 1.827 192 A HA -0.150 4.169 4.320 -0.001 0.000 0.215 192 A C 2.260 179.737 177.584 -0.178 0.000 1.212 192 A CA 1.613 53.562 52.037 -0.147 0.000 0.624 192 A CB -1.016 17.917 19.000 -0.113 0.000 0.853 192 A HN 0.495 nan 8.150 nan 0.000 0.450 193 E N -0.500 119.603 120.200 -0.162 0.000 2.082 193 E HA -0.252 4.098 4.350 -0.001 0.000 0.215 193 E C 2.088 178.549 176.600 -0.231 0.000 1.048 193 E CA 2.002 58.304 56.400 -0.163 0.000 0.869 193 E CB -1.416 28.209 29.700 -0.125 0.000 0.773 193 E HN 0.640 nan 8.360 nan 0.000 0.466 194 T N 2.598 116.942 114.554 -0.349 0.000 2.397 194 T HA -0.254 4.096 4.350 -0.001 0.000 0.236 194 T C 2.144 176.650 174.700 -0.323 0.000 1.393 194 T CA 2.255 64.109 62.100 -0.410 0.000 1.148 194 T CB -0.812 67.704 68.868 -0.586 0.000 0.853 194 T HN 0.138 nan 8.240 nan 0.000 0.419 195 L N 0.786 121.846 121.223 -0.271 0.000 2.043 195 L HA -0.150 4.189 4.340 -0.001 0.000 0.212 195 L C 2.850 179.592 176.870 -0.212 0.000 1.075 195 L CA 1.506 56.217 54.840 -0.215 0.000 0.752 195 L CB -0.717 41.311 42.059 -0.051 0.000 0.891 195 L HN 0.339 nan 8.230 nan 0.000 0.432 196 S N -0.954 114.632 115.700 -0.189 0.000 2.462 196 S HA -0.181 4.289 4.470 -0.001 0.000 0.243 196 S C 1.786 176.282 174.600 -0.173 0.000 1.003 196 S CA 1.275 59.374 58.200 -0.168 0.000 0.970 196 S CB -0.084 63.027 63.200 -0.149 0.000 0.762 196 S HN 0.407 nan 8.310 nan 0.000 0.510 197 E N 0.552 120.627 120.200 -0.208 0.000 2.175 197 E HA 0.158 4.507 4.350 -0.001 0.000 0.195 197 E C 1.853 178.309 176.600 -0.241 0.000 0.934 197 E CA 0.328 56.611 56.400 -0.195 0.000 0.870 197 E CB -0.384 29.205 29.700 -0.185 0.000 0.838 197 E HN 0.502 nan 8.360 nan 0.000 0.474 198 L N 1.882 122.878 121.223 -0.379 0.000 2.661 198 L HA -0.102 4.238 4.340 -0.001 0.000 0.236 198 L C 2.279 178.894 176.870 -0.425 0.000 1.176 198 L CA 0.508 55.004 54.840 -0.573 0.000 0.836 198 L CB -0.578 40.733 42.059 -1.247 0.000 0.960 198 L HN 0.161 nan 8.230 nan 0.000 0.455 199 I N 0.558 120.975 120.570 -0.255 0.000 2.956 199 I HA -0.166 4.004 4.170 -0.001 0.000 0.233 199 I C 2.787 178.826 176.117 -0.130 0.000 1.054 199 I CA 0.508 61.698 61.300 -0.184 0.000 1.456 199 I CB -0.058 37.805 38.000 -0.229 0.000 1.297 199 I HN 0.225 nan 8.210 nan 0.000 0.448 200 R N 0.347 120.777 120.500 -0.115 0.000 2.226 200 R HA -0.157 4.182 4.340 -0.001 0.000 0.246 200 R C 1.583 177.849 176.300 -0.056 0.000 1.161 200 R CA 2.123 58.177 56.100 -0.077 0.000 0.997 200 R CB -1.327 28.931 30.300 -0.069 0.000 0.870 200 R HN 0.356 nan 8.270 nan 0.000 0.465 201 T N 0.116 114.631 114.554 -0.065 0.000 2.942 201 T HA -0.018 4.332 4.350 -0.001 0.000 0.265 201 T C 1.104 175.816 174.700 0.020 0.000 1.062 201 T CA 1.526 63.608 62.100 -0.030 0.000 1.139 201 T CB 0.063 68.904 68.868 -0.046 0.000 0.883 201 T HN 0.353 nan 8.240 nan 0.000 0.468 202 T N 2.655 117.222 114.554 0.021 0.000 3.273 202 T HA 0.366 4.715 4.350 -0.001 0.000 0.254 202 T C 0.463 175.169 174.700 0.010 0.000 1.002 202 T CA -0.261 61.879 62.100 0.067 0.000 0.913 202 T CB -0.661 68.224 68.868 0.029 0.000 1.056 202 T HN 0.285 nan 8.240 nan 0.000 0.576 203 L N 2.717 123.938 121.223 -0.004 0.000 3.458 203 L HA -0.244 4.096 4.340 -0.001 0.000 0.379 203 L C 1.062 177.931 176.870 -0.003 0.000 0.997 203 L CA 0.828 55.662 54.840 -0.011 0.000 0.823 203 L CB -0.081 41.977 42.059 -0.002 0.000 1.312 203 L HN 0.472 nan 8.230 nan 0.000 0.660 204 D N 0.861 121.252 120.400 -0.015 0.000 4.400 204 D HA -0.113 4.527 4.640 -0.001 0.000 0.125 204 D C 1.241 177.533 176.300 -0.014 0.000 0.397 204 D CA 0.706 54.705 54.000 -0.002 0.000 0.588 204 D CB -0.512 40.295 40.800 0.012 0.000 1.635 204 D HN 0.488 nan 8.370 nan 0.000 0.088 205 A N 1.025 123.808 122.820 -0.061 0.000 2.239 205 A HA 0.002 4.322 4.320 -0.001 0.000 0.209 205 A C 1.643 179.161 177.584 -0.110 0.000 1.171 205 A CA 1.272 53.239 52.037 -0.117 0.000 0.768 205 A CB -0.311 18.545 19.000 -0.240 0.000 0.790 205 A HN 0.354 nan 8.150 nan 0.000 0.478 206 E N -0.078 120.085 120.200 -0.061 0.000 2.358 206 E HA -0.033 4.316 4.350 -0.001 0.000 0.195 206 E C 1.211 177.838 176.600 0.045 0.000 1.010 206 E CA 0.637 57.022 56.400 -0.026 0.000 0.856 206 E CB 0.032 29.714 29.700 -0.030 0.000 0.795 206 E HN 0.494 nan 8.360 nan 0.000 0.504 207 K N 0.325 120.757 120.400 0.053 0.000 2.410 207 K HA 0.125 4.444 4.320 -0.001 0.000 0.200 207 K C 0.580 177.231 176.600 0.085 0.000 1.023 207 K CA 0.072 56.397 56.287 0.064 0.000 1.149 207 K CB 0.991 33.522 32.500 0.051 0.000 0.859 207 K HN -0.023 nan 8.250 nan 0.000 0.514 208 V N -0.004 119.994 119.914 0.140 0.000 3.502 208 V HA 0.107 4.226 4.120 -0.001 0.000 0.288 208 V C -0.115 175.961 176.094 -0.030 0.000 1.461 208 V CA 0.245 62.563 62.300 0.030 0.000 1.029 208 V CB 0.187 32.016 31.823 0.009 0.000 0.843 208 V HN 0.133 nan 8.190 nan 0.000 0.438 209 F N 1.087 120.958 119.950 -0.132 0.000 2.928 209 F HA 0.229 4.755 4.527 -0.001 0.000 0.337 209 F C 2.043 177.827 175.800 -0.026 0.000 1.259 209 F CA -0.289 57.660 58.000 -0.084 0.000 1.267 209 F CB -0.670 38.284 39.000 -0.076 0.000 0.986 209 F HN 0.146 nan 8.300 nan 0.000 0.507 210 T N -1.818 112.784 114.554 0.080 0.000 2.668 210 T HA -0.353 3.996 4.350 -0.001 0.000 0.265 210 T C 1.002 175.735 174.700 0.055 0.000 1.041 210 T CA 1.574 63.699 62.100 0.041 0.000 1.160 210 T CB -0.929 67.926 68.868 -0.022 0.000 0.857 210 T HN 0.562 nan 8.240 nan 0.000 0.455 211 Q N 2.640 122.475 119.800 0.060 0.000 2.348 211 Q HA 0.485 4.824 4.340 -0.001 0.000 0.251 211 Q C 0.506 176.647 176.000 0.236 0.000 1.113 211 Q CA -0.508 55.358 55.803 0.106 0.000 0.902 211 Q CB 0.208 28.984 28.738 0.064 0.000 1.333 211 Q HN 0.453 nan 8.270 nan 0.000 0.457 212 G N 3.113 112.038 108.800 0.208 0.000 2.093 212 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.257 212 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.257 212 G C 0.135 175.177 174.900 0.236 0.000 1.004 212 G CA -0.451 44.765 45.100 0.194 0.000 0.949 212 G HN 0.756 nan 8.290 nan 0.000 0.400 213 L N 2.874 124.156 121.223 0.098 0.000 2.798 213 L HA 0.093 4.433 4.340 -0.001 0.000 0.254 213 L C 1.486 178.036 176.870 -0.534 0.000 1.176 213 L CA -0.287 54.467 54.840 -0.144 0.000 0.991 213 L CB -0.649 41.476 42.059 0.111 0.000 1.225 213 L HN 0.585 nan 8.230 nan 0.000 0.420 214 N N 0.827 119.219 118.700 -0.513 0.000 3.117 214 N HA -0.071 4.668 4.740 -0.001 0.000 0.323 214 N C 1.310 176.161 175.510 -1.099 0.000 1.245 214 N CA 0.136 52.868 53.050 -0.531 0.000 1.191 214 N CB -0.187 38.183 38.487 -0.195 0.000 1.451 214 N HN 0.541 nan 8.380 nan 0.000 0.555 215 I N -0.080 119.786 120.570 -1.173 0.000 2.874 215 I HA -0.309 3.861 4.170 -0.001 0.000 0.271 215 I C 2.077 177.967 176.117 -0.378 0.000 1.263 215 I CA 0.525 61.247 61.300 -0.963 0.000 1.443 215 I CB -0.206 37.543 38.000 -0.417 0.000 1.100 215 I HN 0.429 nan 8.210 nan 0.000 0.480 216 L N 1.003 122.025 121.223 -0.335 0.000 1.868 216 L HA -0.202 4.138 4.340 -0.001 0.000 0.222 216 L C 2.468 179.348 176.870 0.017 0.000 1.108 216 L CA 1.405 56.164 54.840 -0.134 0.000 0.822 216 L CB -0.354 41.642 42.059 -0.105 0.000 0.891 216 L HN 0.141 nan 8.230 nan 0.000 0.441 217 E N -0.468 119.780 120.200 0.079 0.000 2.233 217 E HA -0.324 4.026 4.350 -0.001 0.000 0.210 217 E C 1.708 178.527 176.600 0.366 0.000 1.046 217 E CA 1.886 58.410 56.400 0.207 0.000 0.844 217 E CB -0.358 29.466 29.700 0.206 0.000 0.741 217 E HN 0.567 nan 8.360 nan 0.000 0.465 218 W N 0.405 121.770 121.300 0.108 0.000 2.296 218 W HA -0.200 4.460 4.660 -0.001 0.000 0.282 218 W C 1.814 178.535 176.519 0.337 0.000 1.207 218 W CA 0.927 58.377 57.345 0.176 0.000 1.183 218 W CB -0.737 28.801 29.460 0.130 0.000 1.135 218 W HN 0.185 nan 8.180 nan 0.000 0.557 219 L N -1.377 120.130 121.223 0.473 0.000 2.265 219 L HA -0.001 4.338 4.340 -0.001 0.000 0.195 219 L C 2.322 179.381 176.870 0.316 0.000 1.083 219 L CA 0.682 55.732 54.840 0.350 0.000 0.798 219 L CB -1.038 41.108 42.059 0.146 0.000 0.989 219 L HN -0.183 nan 8.230 nan 0.000 0.472 220 E N 1.541 121.923 120.200 0.304 0.000 2.097 220 E HA -0.198 4.151 4.350 -0.001 0.000 0.196 220 E C 0.111 176.822 176.600 0.185 0.000 1.000 220 E CA 1.469 58.024 56.400 0.258 0.000 0.804 220 E CB -0.336 29.504 29.700 0.232 0.000 0.740 220 E HN 0.679 nan 8.360 nan 0.000 0.454 221 N N -0.395 118.413 118.700 0.179 0.000 2.725 221 N HA 0.149 4.889 4.740 -0.001 0.000 0.248 221 N C -2.523 173.064 175.510 0.129 0.000 1.402 221 N CA -1.085 52.045 53.050 0.133 0.000 0.766 221 N CB 1.276 39.828 38.487 0.108 0.000 1.223 221 N HN -0.137 nan 8.380 nan 0.000 0.515 222 P HA -0.206 nan 4.420 nan 0.000 0.234 222 P C 1.391 178.701 177.300 0.016 0.000 1.162 222 P CA 0.894 64.050 63.100 0.094 0.000 0.759 222 P CB 0.199 31.975 31.700 0.127 0.000 0.813 223 S N -0.014 115.704 115.700 0.031 0.000 2.413 223 S HA -0.241 4.229 4.470 -0.001 0.000 0.237 223 S C 1.523 176.108 174.600 -0.026 0.000 1.044 223 S CA 1.606 59.810 58.200 0.007 0.000 1.024 223 S CB -1.418 61.795 63.200 0.022 0.000 0.829 223 S HN 0.370 nan 8.310 nan 0.000 0.475 224 N N 0.151 118.829 118.700 -0.038 0.000 2.351 224 N HA 0.164 4.903 4.740 -0.001 0.000 0.254 224 N C -1.175 174.202 175.510 -0.221 0.000 1.241 224 N CA -0.144 52.857 53.050 -0.081 0.000 0.883 224 N CB 0.493 38.970 38.487 -0.017 0.000 1.202 224 N HN 0.163 nan 8.380 nan 0.000 0.512 225 T N 2.559 116.934 114.554 -0.299 0.000 2.761 225 T HA 0.112 4.461 4.350 -0.001 0.000 0.287 225 T C -2.448 171.860 174.700 -0.654 0.000 0.931 225 T CA -0.538 61.174 62.100 -0.648 0.000 1.164 225 T CB 0.880 69.497 68.868 -0.418 0.000 0.876 225 T HN 0.126 nan 8.240 nan 0.000 0.534 226 P HA -0.032 nan 4.420 nan 0.000 0.235 226 P C 0.390 177.429 177.300 -0.435 0.000 1.080 226 P CA 0.625 63.381 63.100 -0.574 0.000 1.096 226 P CB -0.093 31.248 31.700 -0.598 0.000 1.085 227 D N 1.322 121.551 120.400 -0.285 0.000 3.565 227 D HA -0.250 4.389 4.640 -0.001 0.000 0.257 227 D C 0.848 177.036 176.300 -0.187 0.000 1.938 227 D CA 0.870 54.755 54.000 -0.192 0.000 1.130 227 D CB -0.308 40.412 40.800 -0.134 0.000 0.859 227 D HN 0.369 nan 8.370 nan 0.000 1.039 228 K N -0.132 120.196 120.400 -0.120 0.000 2.574 228 K HA 0.043 4.362 4.320 -0.001 0.000 0.215 228 K C 0.935 177.483 176.600 -0.087 0.000 1.485 228 K CA 0.161 56.393 56.287 -0.093 0.000 1.006 228 K CB 0.410 32.879 32.500 -0.053 0.000 1.254 228 K HN 0.231 nan 8.250 nan 0.000 0.580 229 D N 0.129 120.497 120.400 -0.053 0.000 1.989 229 D HA -0.117 4.522 4.640 -0.001 0.000 0.259 229 D C 1.198 177.492 176.300 -0.010 0.000 0.992 229 D CA 1.305 55.305 54.000 0.000 0.000 0.912 229 D CB -0.174 40.681 40.800 0.092 0.000 1.083 229 D HN 0.068 nan 8.370 nan 0.000 0.441 230 Y N 0.107 120.308 120.300 -0.164 0.000 2.425 230 Y HA -0.108 4.442 4.550 -0.001 0.000 0.285 230 Y C 1.946 177.717 175.900 -0.216 0.000 1.170 230 Y CA 0.561 58.556 58.100 -0.175 0.000 1.304 230 Y CB -0.695 37.672 38.460 -0.155 0.000 0.972 230 Y HN 0.151 nan 8.280 nan 0.000 0.558 231 L N -0.685 120.461 121.223 -0.128 0.000 2.450 231 L HA -0.126 4.213 4.340 -0.001 0.000 0.224 231 L C 1.773 178.474 176.870 -0.281 0.000 1.149 231 L CA 1.441 56.164 54.840 -0.195 0.000 0.816 231 L CB -0.552 41.352 42.059 -0.258 0.000 0.932 231 L HN 0.352 nan 8.230 nan 0.000 0.449 232 L N -0.996 119.992 121.223 -0.392 0.000 2.357 232 L HA 0.195 4.534 4.340 -0.001 0.000 0.211 232 L C 1.423 178.023 176.870 -0.450 0.000 1.075 232 L CA 0.467 54.892 54.840 -0.692 0.000 0.830 232 L CB -0.040 41.650 42.059 -0.615 0.000 0.996 232 L HN 0.459 nan 8.230 nan 0.000 0.467 233 S N 0.060 115.528 115.700 -0.386 0.000 2.553 233 S HA -0.190 4.279 4.470 -0.001 0.000 0.293 233 S C 1.508 176.006 174.600 -0.171 0.000 1.296 233 S CA 0.398 58.395 58.200 -0.338 0.000 1.046 233 S CB 0.220 63.093 63.200 -0.545 0.000 0.810 233 S HN 0.447 nan 8.310 nan 0.000 0.505 234 I N 2.475 123.033 120.570 -0.021 0.000 2.074 234 I HA -0.066 4.104 4.170 -0.001 0.000 0.238 234 I C -1.332 174.762 176.117 -0.039 0.000 1.037 234 I CA 0.889 62.244 61.300 0.093 0.000 1.301 234 I CB -0.926 37.209 38.000 0.225 0.000 1.016 234 I HN 0.581 nan 8.210 nan 0.000 0.400 235 P HA 0.113 nan 4.420 nan 0.000 0.271 235 P C 0.400 177.438 177.300 -0.437 0.000 1.226 235 P CA 0.739 63.606 63.100 -0.388 0.000 0.765 235 P CB 1.385 32.642 31.700 -0.737 0.000 0.835 236 I N 0.527 121.028 120.570 -0.115 0.000 3.284 236 I HA -0.316 3.854 4.170 -0.001 0.000 0.248 236 I C 1.845 178.043 176.117 0.136 0.000 0.432 236 I CA 1.455 62.772 61.300 0.028 0.000 0.968 236 I CB -1.708 36.241 38.000 -0.084 0.000 3.976 236 I HN 0.405 nan 8.210 nan 0.000 1.114 237 S N 0.552 116.330 115.700 0.129 0.000 2.362 237 S HA -0.095 4.374 4.470 -0.001 0.000 0.221 237 S C 1.839 176.649 174.600 0.350 0.000 1.032 237 S CA 1.206 59.616 58.200 0.350 0.000 0.973 237 S CB -0.585 62.835 63.200 0.367 0.000 0.849 237 S HN 0.574 nan 8.310 nan 0.000 0.465 238 C N 3.837 123.292 119.300 0.258 0.000 2.376 238 C HA -0.031 4.429 4.460 -0.001 0.000 0.275 238 C C 0.426 175.531 174.990 0.192 0.000 1.200 238 C CA 1.353 60.505 59.018 0.224 0.000 1.756 238 C CB -1.904 25.933 27.740 0.160 0.000 2.050 238 C HN 0.554 nan 8.230 nan 0.000 0.460 239 P HA -0.088 nan 4.420 nan 0.000 0.205 239 P C 1.392 178.800 177.300 0.180 0.000 1.203 239 P CA 1.529 64.739 63.100 0.183 0.000 0.926 239 P CB -0.354 31.475 31.700 0.214 0.000 0.767 240 L N -0.752 120.596 121.223 0.208 0.000 2.171 240 L HA -0.208 4.131 4.340 -0.001 0.000 0.216 240 L C 2.860 179.859 176.870 0.215 0.000 1.084 240 L CA 1.582 56.560 54.840 0.230 0.000 0.771 240 L CB -1.701 40.558 42.059 0.333 0.000 0.890 240 L HN -0.004 nan 8.230 nan 0.000 0.437 241 I N -0.703 119.989 120.570 0.203 0.000 2.076 241 I HA -0.307 3.863 4.170 -0.001 0.000 0.237 241 I C 2.446 178.662 176.117 0.165 0.000 1.059 241 I CA 1.873 63.256 61.300 0.139 0.000 1.317 241 I CB -0.638 37.409 38.000 0.079 0.000 1.037 241 I HN 0.338 nan 8.210 nan 0.000 0.398 242 G N -0.092 108.801 108.800 0.155 0.000 2.476 242 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.218 242 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.218 242 G C 1.627 176.624 174.900 0.161 0.000 1.164 242 G CA 1.202 46.389 45.100 0.145 0.000 0.768 242 G HN 0.385 nan 8.290 nan 0.000 0.560 243 V N 1.644 121.645 119.914 0.145 0.000 2.277 243 V HA -0.353 3.766 4.120 -0.001 0.000 0.255 243 V C 2.772 178.963 176.094 0.161 0.000 1.074 243 V CA 2.183 64.566 62.300 0.139 0.000 1.058 243 V CB -0.640 31.259 31.823 0.126 0.000 0.656 243 V HN 0.488 nan 8.190 nan 0.000 0.449 244 I N 0.313 120.995 120.570 0.187 0.000 2.045 244 I HA -0.358 3.812 4.170 -0.001 0.000 0.233 244 I C 2.825 179.167 176.117 0.375 0.000 1.048 244 I CA 2.313 63.745 61.300 0.220 0.000 1.313 244 I CB -0.981 37.192 38.000 0.289 0.000 1.043 244 I HN 0.384 nan 8.210 nan 0.000 0.393 245 Q N 1.190 121.288 119.800 0.496 0.000 2.133 245 Q HA -0.227 4.112 4.340 -0.001 0.000 0.208 245 Q C 2.286 178.592 176.000 0.510 0.000 0.991 245 Q CA 1.676 57.861 55.803 0.637 0.000 0.867 245 Q CB -0.663 28.474 28.738 0.664 0.000 0.911 245 Q HN 0.561 nan 8.270 nan 0.000 0.417 246 L N 0.766 122.179 121.223 0.316 0.000 1.976 246 L HA -0.183 4.156 4.340 -0.001 0.000 0.209 246 L C 2.780 179.851 176.870 0.335 0.000 1.071 246 L CA 1.051 56.069 54.840 0.296 0.000 0.746 246 L CB -0.968 41.226 42.059 0.226 0.000 0.890 246 L HN 0.308 nan 8.230 nan 0.000 0.432 247 A N -0.607 122.345 122.820 0.220 0.000 1.927 247 A HA -0.279 4.041 4.320 -0.001 0.000 0.220 247 A C 2.124 179.735 177.584 0.045 0.000 1.185 247 A CA 1.907 54.003 52.037 0.099 0.000 0.639 247 A CB -0.916 18.068 19.000 -0.026 0.000 0.820 247 A HN 0.474 nan 8.150 nan 0.000 0.451 248 H N -2.706 116.517 119.070 0.255 0.000 2.261 248 H HA -0.144 4.411 4.556 -0.001 0.000 0.301 248 H C 2.058 177.587 175.328 0.335 0.000 1.067 248 H CA 1.965 58.183 56.048 0.284 0.000 1.297 248 H CB -0.975 29.043 29.762 0.427 0.000 1.377 248 H HN 0.618 nan 8.280 nan 0.000 0.492 249 Y N 2.178 122.683 120.300 0.342 0.000 2.173 249 Y HA -0.263 4.287 4.550 -0.001 0.000 0.282 249 Y C 2.432 178.379 175.900 0.079 0.000 1.192 249 Y CA 1.044 59.188 58.100 0.074 0.000 1.176 249 Y CB -0.746 37.647 38.460 -0.111 0.000 0.969 249 Y HN -0.098 nan 8.280 nan 0.000 0.519 250 V N -1.017 118.933 119.914 0.060 0.000 2.229 250 V HA -0.324 3.795 4.120 -0.001 0.000 0.243 250 V C 2.444 178.438 176.094 -0.166 0.000 1.042 250 V CA 1.930 64.155 62.300 -0.126 0.000 1.000 250 V CB -1.164 30.664 31.823 0.008 0.000 0.637 250 V HN 0.281 nan 8.190 nan 0.000 0.446 251 V N 0.323 120.156 119.914 -0.134 0.000 2.332 251 V HA -0.306 3.814 4.120 -0.001 0.000 0.248 251 V C 2.567 178.543 176.094 -0.196 0.000 1.055 251 V CA 2.590 64.736 62.300 -0.256 0.000 1.038 251 V CB -1.617 29.978 31.823 -0.381 0.000 0.651 251 V HN 0.674 nan 8.190 nan 0.000 0.450 252 T N 0.408 114.942 114.554 -0.034 0.000 2.737 252 T HA -0.214 4.136 4.350 -0.001 0.000 0.269 252 T C 1.868 176.480 174.700 -0.148 0.000 1.040 252 T CA 1.803 63.900 62.100 -0.005 0.000 1.142 252 T CB -0.448 68.617 68.868 0.329 0.000 0.861 252 T HN 0.641 nan 8.240 nan 0.000 0.456 253 A N 1.917 124.635 122.820 -0.170 0.000 2.028 253 A HA 0.033 4.352 4.320 -0.001 0.000 0.213 253 A C 2.131 179.640 177.584 -0.125 0.000 1.486 253 A CA 1.057 52.994 52.037 -0.166 0.000 0.597 253 A CB -0.659 18.211 19.000 -0.216 0.000 1.089 253 A HN 0.301 nan 8.150 nan 0.000 0.489 254 K N -0.781 119.532 120.400 -0.145 0.000 2.159 254 K HA -0.311 4.009 4.320 -0.001 0.000 0.217 254 K C 1.876 178.332 176.600 -0.240 0.000 1.048 254 K CA 2.122 58.197 56.287 -0.354 0.000 0.941 254 K CB -0.973 31.105 32.500 -0.703 0.000 0.738 254 K HN 0.485 nan 8.250 nan 0.000 0.469 255 L N 1.149 122.233 121.223 -0.232 0.000 1.955 255 L HA -0.174 4.165 4.340 -0.001 0.000 0.213 255 L C 2.096 178.882 176.870 -0.140 0.000 1.072 255 L CA 1.567 56.302 54.840 -0.175 0.000 0.755 255 L CB -0.846 41.055 42.059 -0.264 0.000 0.888 255 L HN 0.133 nan 8.230 nan 0.000 0.432 256 L N 1.467 122.526 121.223 -0.273 0.000 2.661 256 L HA 0.062 4.402 4.340 -0.001 0.000 0.236 256 L C 1.478 178.166 176.870 -0.303 0.000 1.176 256 L CA 1.275 55.832 54.840 -0.472 0.000 0.836 256 L CB -1.635 39.924 42.059 -0.833 0.000 0.960 256 L HN 0.724 nan 8.230 nan 0.000 0.455 257 G N -1.911 106.912 108.800 0.039 0.000 2.273 257 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.280 257 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.280 257 G C 0.410 175.652 174.900 0.570 0.000 1.047 257 G CA 0.645 45.943 45.100 0.330 0.000 0.869 257 G HN 0.424 nan 8.290 nan 0.000 0.502 258 F N -0.826 119.173 119.950 0.082 0.000 2.908 258 F HA 0.760 5.287 4.527 -0.001 0.000 0.355 258 F C 0.923 176.601 175.800 -0.202 0.000 1.367 258 F CA -0.643 57.337 58.000 -0.033 0.000 1.086 258 F CB 1.680 40.650 39.000 -0.050 0.000 1.702 258 F HN 0.128 nan 8.300 nan 0.000 0.463 259 T N 0.284 114.759 114.554 -0.133 0.000 2.894 259 T HA 0.181 4.530 4.350 -0.001 0.000 0.309 259 T C -2.299 172.173 174.700 -0.381 0.000 1.208 259 T CA -1.160 60.565 62.100 -0.624 0.000 1.016 259 T CB 1.978 70.395 68.868 -0.752 0.000 1.192 259 T HN 0.168 nan 8.240 nan 0.000 0.491 260 P HA -0.136 nan 4.420 nan 0.000 0.223 260 P C 1.308 178.570 177.300 -0.062 0.000 1.140 260 P CA 1.188 64.094 63.100 -0.324 0.000 0.783 260 P CB -0.159 31.377 31.700 -0.273 0.000 0.759 261 G N 0.378 109.109 108.800 -0.113 0.000 2.490 261 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.211 261 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.211 261 G C 1.404 176.301 174.900 -0.004 0.000 1.159 261 G CA -0.026 45.053 45.100 -0.035 0.000 0.819 261 G HN 0.187 nan 8.290 nan 0.000 0.539 262 E N 0.345 120.496 120.200 -0.080 0.000 2.396 262 E HA -0.021 4.328 4.350 -0.001 0.000 0.200 262 E C 2.132 178.883 176.600 0.252 0.000 1.023 262 E CA 0.497 56.827 56.400 -0.118 0.000 0.857 262 E CB 0.076 29.488 29.700 -0.480 0.000 0.775 262 E HN 0.441 nan 8.360 nan 0.000 0.525 263 L N 0.016 121.410 121.223 0.285 0.000 2.433 263 L HA 0.076 4.416 4.340 -0.001 0.000 0.200 263 L C 2.502 179.623 176.870 0.420 0.000 1.059 263 L CA 0.145 55.247 54.840 0.436 0.000 0.835 263 L CB -0.212 42.039 42.059 0.321 0.000 1.076 263 L HN 0.011 nan 8.230 nan 0.000 0.481 264 R N 0.065 120.773 120.500 0.346 0.000 2.303 264 R HA -0.109 4.231 4.340 -0.001 0.000 0.225 264 R C 1.854 178.275 176.300 0.202 0.000 1.114 264 R CA 1.161 57.429 56.100 0.280 0.000 1.007 264 R CB -0.441 29.987 30.300 0.213 0.000 0.861 264 R HN 0.219 nan 8.270 nan 0.000 0.471 265 S N 0.963 116.793 115.700 0.217 0.000 2.269 265 S HA -0.116 4.353 4.470 -0.001 0.000 0.167 265 S C -0.069 174.638 174.600 0.179 0.000 1.319 265 S CA -0.274 58.019 58.200 0.155 0.000 2.086 265 S CB -0.401 62.912 63.200 0.189 0.000 0.582 265 S HN 0.367 nan 8.310 nan 0.000 0.360 266 Y N 2.619 122.946 120.300 0.045 0.000 2.787 266 Y HA 0.321 4.871 4.550 -0.001 0.000 0.400 266 Y C 0.466 176.389 175.900 0.039 0.000 1.388 266 Y CA 0.295 58.380 58.100 -0.025 0.000 1.814 266 Y CB -0.703 37.656 38.460 -0.168 0.000 1.241 266 Y HN 0.383 nan 8.280 nan 0.000 0.483 267 L N 1.760 123.053 121.223 0.117 0.000 2.626 267 L HA 0.398 4.737 4.340 -0.001 0.000 0.280 267 L C 0.208 177.094 176.870 0.026 0.000 0.798 267 L CA -0.391 54.511 54.840 0.103 0.000 1.129 267 L CB 0.528 42.678 42.059 0.152 0.000 1.650 267 L HN 0.448 nan 8.230 nan 0.000 0.341 268 K N -2.170 118.239 120.400 0.015 0.000 0.935 268 K HA 0.034 4.353 4.320 -0.001 0.000 0.060 268 K C 0.641 177.223 176.600 -0.029 0.000 2.436 268 K CA 0.911 57.194 56.287 -0.008 0.000 0.971 268 K CB -1.259 31.214 32.500 -0.046 0.000 2.719 268 K HN 0.830 nan 8.250 nan 0.000 0.315 269 G N 0.947 109.659 108.800 -0.146 0.000 2.593 269 G HA2 0.466 4.425 3.960 -0.001 0.000 0.212 269 G HA3 0.466 4.425 3.960 -0.001 0.000 0.212 269 G C 0.254 175.161 174.900 0.011 0.000 1.934 269 G CA 0.651 45.577 45.100 -0.290 0.000 0.861 269 G HN 1.042 nan 8.290 nan 0.000 0.629 270 A N -0.986 121.857 122.820 0.039 0.000 1.888 270 A HA 0.160 4.479 4.320 -0.001 0.000 0.243 270 A C 0.067 177.808 177.584 0.261 0.000 1.351 270 A CA 0.862 53.016 52.037 0.194 0.000 0.702 270 A CB -2.054 17.047 19.000 0.168 0.000 1.185 270 A HN 1.206 nan 8.150 nan 0.000 0.265 271 T N 1.830 116.564 114.554 0.299 0.000 3.050 271 T HA 0.627 4.976 4.350 -0.001 0.000 0.310 271 T C 0.655 175.516 174.700 0.270 0.000 0.978 271 T CA 0.115 62.377 62.100 0.270 0.000 1.013 271 T CB 1.531 70.549 68.868 0.251 0.000 1.000 271 T HN 1.761 nan 8.240 nan 0.000 0.447 272 G N 0.695 109.678 108.800 0.305 0.000 2.588 272 G HA2 0.472 4.431 3.960 -0.001 0.000 0.281 272 G HA3 0.472 4.431 3.960 -0.001 0.000 0.281 272 G C -0.959 174.152 174.900 0.351 0.000 1.236 272 G CA -0.310 45.020 45.100 0.383 0.000 0.969 272 G HN 0.740 nan 8.290 nan 0.000 0.504 273 H N -0.863 118.405 119.070 0.330 0.000 2.708 273 H HA 0.435 4.991 4.556 -0.001 0.000 0.320 273 H C 1.079 176.609 175.328 0.337 0.000 0.991 273 H CA 0.133 56.404 56.048 0.371 0.000 1.243 273 H CB 0.787 30.889 29.762 0.568 0.000 1.446 273 H HN 0.888 nan 8.280 nan 0.000 0.502 274 S N 2.616 118.322 115.700 0.010 0.000 4.155 274 S HA -0.480 3.990 4.470 -0.001 0.000 0.539 274 S C 1.691 176.364 174.600 0.122 0.000 1.841 274 S CA 1.564 59.821 58.200 0.096 0.000 4.215 274 S CB -1.118 62.191 63.200 0.183 0.000 0.531 274 S HN 0.777 nan 8.310 nan 0.000 0.461 275 Q N 3.184 123.094 119.800 0.184 0.000 2.541 275 Q HA 0.205 4.544 4.340 -0.001 0.000 0.215 275 Q C 1.671 177.779 176.000 0.179 0.000 0.977 275 Q CA 0.936 56.850 55.803 0.185 0.000 0.934 275 Q CB -0.877 28.045 28.738 0.307 0.000 0.988 275 Q HN 0.809 nan 8.270 nan 0.000 0.521 276 G N -0.347 108.582 108.800 0.215 0.000 2.850 276 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.211 276 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.211 276 G C 0.982 176.024 174.900 0.238 0.000 1.124 276 G CA -0.134 45.137 45.100 0.285 0.000 0.769 276 G HN 0.322 nan 8.290 nan 0.000 0.535 277 L N 0.965 122.295 121.223 0.179 0.000 2.023 277 L HA 0.113 4.452 4.340 -0.001 0.000 0.205 277 L C 2.830 179.727 176.870 0.045 0.000 1.073 277 L CA 1.283 56.202 54.840 0.132 0.000 0.745 277 L CB -0.496 41.636 42.059 0.122 0.000 0.900 277 L HN 0.026 nan 8.230 nan 0.000 0.435 278 V N -0.364 119.568 119.914 0.029 0.000 2.428 278 V HA -0.397 3.722 4.120 -0.001 0.000 0.255 278 V C 2.421 178.468 176.094 -0.078 0.000 1.080 278 V CA 2.284 64.575 62.300 -0.015 0.000 1.083 278 V CB -1.162 30.663 31.823 0.002 0.000 0.665 278 V HN 0.579 nan 8.190 nan 0.000 0.461 279 T N -0.374 114.104 114.554 -0.128 0.000 2.809 279 T HA -0.026 4.323 4.350 -0.001 0.000 0.260 279 T C 2.082 176.485 174.700 -0.494 0.000 1.039 279 T CA 1.304 63.194 62.100 -0.350 0.000 1.141 279 T CB -0.365 68.184 68.868 -0.531 0.000 0.869 279 T HN 0.591 nan 8.240 nan 0.000 0.437 280 A N 1.466 124.069 122.820 -0.362 0.000 1.859 280 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 280 A C 2.484 180.001 177.584 -0.110 0.000 1.209 280 A CA 2.006 53.937 52.037 -0.176 0.000 0.639 280 A CB -1.387 17.679 19.000 0.111 0.000 0.835 280 A HN 0.294 nan 8.150 nan 0.000 0.450 281 V N -0.254 119.629 119.914 -0.052 0.000 2.227 281 V HA -0.360 3.759 4.120 -0.001 0.000 0.249 281 V C 2.964 179.027 176.094 -0.052 0.000 1.046 281 V CA 2.633 64.914 62.300 -0.031 0.000 1.015 281 V CB -1.419 30.384 31.823 -0.035 0.000 0.648 281 V HN 0.723 nan 8.190 nan 0.000 0.460 282 A N -1.236 121.534 122.820 -0.083 0.000 2.255 282 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 282 A C 2.042 179.618 177.584 -0.013 0.000 1.175 282 A CA 2.012 54.008 52.037 -0.068 0.000 0.682 282 A CB -0.671 18.276 19.000 -0.088 0.000 0.784 282 A HN 0.623 nan 8.150 nan 0.000 0.482 283 I N -1.777 118.750 120.570 -0.071 0.000 3.081 283 I HA -0.052 4.117 4.170 -0.001 0.000 0.274 283 I C 2.800 178.954 176.117 0.061 0.000 1.178 283 I CA 0.630 61.907 61.300 -0.039 0.000 1.460 283 I CB -0.296 37.459 38.000 -0.409 0.000 1.137 283 I HN 0.353 nan 8.210 nan 0.000 0.443 284 A N 1.628 124.467 122.820 0.032 0.000 1.870 284 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 284 A C 0.929 178.581 177.584 0.113 0.000 1.224 284 A CA 1.808 53.892 52.037 0.078 0.000 0.650 284 A CB -0.874 18.165 19.000 0.065 0.000 0.836 284 A HN 0.535 nan 8.150 nan 0.000 0.454 285 E N 0.382 120.646 120.200 0.106 0.000 1.993 285 E HA 0.534 4.883 4.350 -0.001 0.000 0.271 285 E C -1.005 175.685 176.600 0.150 0.000 1.008 285 E CA -0.046 56.425 56.400 0.119 0.000 0.814 285 E CB 0.315 30.083 29.700 0.113 0.000 1.098 285 E HN 0.122 nan 8.360 nan 0.000 0.407 286 T N 2.392 117.046 114.554 0.165 0.000 3.293 286 T HA 0.161 4.511 4.350 -0.001 0.000 0.320 286 T C -0.598 174.171 174.700 0.114 0.000 0.995 286 T CA -0.862 61.359 62.100 0.201 0.000 1.041 286 T CB 1.725 70.800 68.868 0.344 0.000 1.058 286 T HN 0.413 nan 8.240 nan 0.000 0.453 287 D N 2.217 122.658 120.400 0.069 0.000 2.384 287 D HA 0.130 4.769 4.640 -0.001 0.000 0.268 287 D C 1.139 177.351 176.300 -0.145 0.000 1.288 287 D CA 0.391 54.373 54.000 -0.029 0.000 1.013 287 D CB 0.428 41.215 40.800 -0.021 0.000 0.919 287 D HN 0.578 nan 8.370 nan 0.000 0.270 288 S N -0.930 114.682 115.700 -0.147 0.000 2.681 288 S HA 0.132 4.601 4.470 -0.001 0.000 0.270 288 S C 0.875 175.376 174.600 -0.164 0.000 1.209 288 S CA -0.742 57.282 58.200 -0.293 0.000 0.988 288 S CB 0.408 63.495 63.200 -0.189 0.000 1.006 288 S HN 0.446 nan 8.310 nan 0.000 0.558 289 W N 0.993 122.249 121.300 -0.072 0.000 3.223 289 W HA 0.151 4.810 4.660 -0.001 0.000 0.249 289 W C 0.983 177.337 176.519 -0.275 0.000 1.331 289 W CA -0.075 57.182 57.345 -0.146 0.000 1.522 289 W CB -1.079 28.235 29.460 -0.243 0.000 1.098 289 W HN 0.780 nan 8.180 nan 0.000 0.729 290 E N -0.648 119.574 120.200 0.036 0.000 2.244 290 E HA -0.066 4.284 4.350 -0.001 0.000 0.196 290 E C 2.153 178.801 176.600 0.079 0.000 0.939 290 E CA 1.190 57.607 56.400 0.029 0.000 0.884 290 E CB -0.542 29.182 29.700 0.040 0.000 0.850 290 E HN 0.177 nan 8.360 nan 0.000 0.481 291 S N 0.993 116.751 115.700 0.098 0.000 2.387 291 S HA -0.066 4.403 4.470 -0.001 0.000 0.221 291 S C 1.982 176.697 174.600 0.190 0.000 1.041 291 S CA 0.185 58.465 58.200 0.134 0.000 0.959 291 S CB -0.778 62.488 63.200 0.111 0.000 0.843 291 S HN 0.167 nan 8.310 nan 0.000 0.488 292 F N 2.150 122.137 119.950 0.061 0.000 2.214 292 F HA -0.097 4.430 4.527 -0.001 0.000 0.302 292 F C 1.520 177.473 175.800 0.254 0.000 1.063 292 F CA 0.810 58.881 58.000 0.119 0.000 1.319 292 F CB -0.656 38.401 39.000 0.095 0.000 1.046 292 F HN 0.248 nan 8.300 nan 0.000 0.505 293 F N -0.444 119.391 119.950 -0.190 0.000 2.009 293 F HA -0.229 4.297 4.527 -0.001 0.000 0.293 293 F C 2.352 178.150 175.800 -0.003 0.000 1.156 293 F CA 1.179 58.976 58.000 -0.338 0.000 1.168 293 F CB -0.725 38.018 39.000 -0.428 0.000 0.981 293 F HN -0.316 nan 8.300 nan 0.000 0.475 294 V N -0.429 119.665 119.914 0.300 0.000 2.546 294 V HA -0.334 3.786 4.120 -0.001 0.000 0.254 294 V C 2.327 178.506 176.094 0.141 0.000 1.076 294 V CA 1.842 64.287 62.300 0.240 0.000 1.087 294 V CB -0.987 30.956 31.823 0.200 0.000 0.674 294 V HN 0.433 nan 8.190 nan 0.000 0.470 295 S N 0.043 115.810 115.700 0.112 0.000 2.374 295 S HA -0.196 4.274 4.470 -0.001 0.000 0.227 295 S C 1.909 176.506 174.600 -0.006 0.000 1.037 295 S CA 2.169 60.402 58.200 0.054 0.000 1.024 295 S CB -0.224 63.033 63.200 0.095 0.000 0.861 295 S HN 0.418 nan 8.310 nan 0.000 0.456 296 V N 2.224 122.127 119.914 -0.017 0.000 2.379 296 V HA -0.043 4.077 4.120 -0.001 0.000 0.245 296 V C 2.632 178.704 176.094 -0.037 0.000 1.044 296 V CA 1.868 64.157 62.300 -0.019 0.000 1.036 296 V CB -0.947 30.891 31.823 0.025 0.000 0.664 296 V HN 0.503 nan 8.190 nan 0.000 0.453 297 R N 0.722 121.210 120.500 -0.019 0.000 2.153 297 R HA -0.284 4.055 4.340 -0.001 0.000 0.252 297 R C 2.206 178.440 176.300 -0.110 0.000 1.158 297 R CA 2.135 58.156 56.100 -0.132 0.000 0.975 297 R CB -0.211 30.055 30.300 -0.055 0.000 0.871 297 R HN 0.582 nan 8.270 nan 0.000 0.450 298 K N 0.067 120.412 120.400 -0.090 0.000 1.968 298 K HA -0.132 4.187 4.320 -0.001 0.000 0.222 298 K C 2.179 178.724 176.600 -0.092 0.000 1.043 298 K CA 1.391 57.600 56.287 -0.130 0.000 0.991 298 K CB -0.599 31.777 32.500 -0.206 0.000 0.744 298 K HN 0.215 nan 8.250 nan 0.000 0.445 299 A N 1.859 124.631 122.820 -0.080 0.000 1.916 299 A HA -0.300 4.019 4.320 -0.001 0.000 0.224 299 A C 2.261 179.844 177.584 -0.002 0.000 1.366 299 A CA 2.416 54.426 52.037 -0.044 0.000 0.692 299 A CB -1.335 17.640 19.000 -0.043 0.000 0.841 299 A HN 0.372 nan 8.150 nan 0.000 0.480 300 I N -1.027 119.534 120.570 -0.015 0.000 2.052 300 I HA -0.309 3.860 4.170 -0.001 0.000 0.235 300 I C 2.649 178.817 176.117 0.086 0.000 1.046 300 I CA 2.217 63.525 61.300 0.014 0.000 1.308 300 I CB -1.215 36.734 38.000 -0.084 0.000 1.031 300 I HN 0.363 nan 8.210 nan 0.000 0.395 301 T N 0.923 115.482 114.554 0.008 0.000 2.778 301 T HA -0.141 4.209 4.350 -0.001 0.000 0.269 301 T C 1.842 176.689 174.700 0.245 0.000 1.050 301 T CA 1.275 63.420 62.100 0.075 0.000 1.137 301 T CB -0.493 68.339 68.868 -0.059 0.000 0.860 301 T HN 0.117 nan 8.240 nan 0.000 0.468 302 V N 1.899 121.882 119.914 0.115 0.000 2.231 302 V HA -0.185 3.935 4.120 -0.001 0.000 0.239 302 V C 2.513 178.714 176.094 0.178 0.000 1.035 302 V CA 1.757 64.120 62.300 0.105 0.000 0.989 302 V CB -1.015 30.822 31.823 0.023 0.000 0.636 302 V HN 0.413 nan 8.190 nan 0.000 0.457 303 L N -0.829 120.472 121.223 0.129 0.000 2.064 303 L HA -0.292 4.047 4.340 -0.001 0.000 0.216 303 L C 2.377 179.347 176.870 0.165 0.000 1.077 303 L CA 2.251 57.163 54.840 0.119 0.000 0.766 303 L CB -0.856 41.274 42.059 0.119 0.000 0.890 303 L HN 0.430 nan 8.230 nan 0.000 0.435 304 F N 0.634 120.642 119.950 0.096 0.000 2.008 304 F HA -0.339 4.187 4.527 -0.001 0.000 0.297 304 F C 2.302 178.159 175.800 0.094 0.000 1.156 304 F CA 1.907 59.967 58.000 0.100 0.000 1.191 304 F CB -0.615 38.444 39.000 0.098 0.000 0.955 304 F HN -0.175 nan 8.300 nan 0.000 0.497 305 F N 0.845 121.011 119.950 0.361 0.000 2.202 305 F HA -0.227 4.300 4.527 -0.001 0.000 0.301 305 F C 2.140 177.949 175.800 0.015 0.000 1.082 305 F CA 1.723 59.834 58.000 0.186 0.000 1.313 305 F CB -0.669 38.462 39.000 0.219 0.000 1.024 305 F HN 0.041 nan 8.300 nan 0.000 0.495 306 I N -0.790 119.872 120.570 0.155 0.000 2.099 306 I HA -0.249 3.920 4.170 -0.001 0.000 0.239 306 I C 2.828 178.917 176.117 -0.047 0.000 1.066 306 I CA 1.481 62.794 61.300 0.021 0.000 1.324 306 I CB -1.548 36.421 38.000 -0.052 0.000 1.037 306 I HN 0.160 nan 8.210 nan 0.000 0.401 307 G N 1.255 110.015 108.800 -0.065 0.000 2.545 307 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 307 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 307 G C 1.715 176.568 174.900 -0.079 0.000 1.218 307 G CA 1.436 46.497 45.100 -0.064 0.000 0.787 307 G HN 0.249 nan 8.290 nan 0.000 0.571 308 V N 1.046 120.821 119.914 -0.230 0.000 2.313 308 V HA -0.270 3.849 4.120 -0.001 0.000 0.253 308 V C 3.023 179.077 176.094 -0.066 0.000 1.070 308 V CA 2.327 64.488 62.300 -0.233 0.000 1.057 308 V CB -0.502 30.983 31.823 -0.562 0.000 0.653 308 V HN 0.287 nan 8.190 nan 0.000 0.450 309 R N -0.783 119.693 120.500 -0.039 0.000 2.066 309 R HA 0.020 4.359 4.340 -0.001 0.000 0.224 309 R C 2.309 178.639 176.300 0.049 0.000 1.122 309 R CA 1.550 57.670 56.100 0.033 0.000 0.974 309 R CB -1.447 28.897 30.300 0.073 0.000 0.871 309 R HN 0.526 nan 8.270 nan 0.000 0.435 310 C N 0.582 119.895 119.300 0.023 0.000 2.411 310 C HA -0.143 4.317 4.460 -0.001 0.000 0.279 310 C C 2.507 177.530 174.990 0.055 0.000 1.288 310 C CA 0.286 59.311 59.018 0.011 0.000 1.764 310 C CB -1.293 26.411 27.740 -0.060 0.000 1.974 310 C HN 0.444 nan 8.230 nan 0.000 0.498 311 Y N 1.840 122.115 120.300 -0.043 0.000 2.274 311 Y HA -0.149 4.400 4.550 -0.001 0.000 0.290 311 Y C 2.198 178.084 175.900 -0.022 0.000 1.145 311 Y CA 1.692 59.764 58.100 -0.047 0.000 1.203 311 Y CB -0.317 38.091 38.460 -0.086 0.000 0.984 311 Y HN 0.430 nan 8.280 nan 0.000 0.533 312 E N -0.274 119.998 120.200 0.120 0.000 2.511 312 E HA 0.012 4.362 4.350 -0.001 0.000 0.196 312 E C 1.728 178.345 176.600 0.029 0.000 1.066 312 E CA 0.227 56.672 56.400 0.075 0.000 0.871 312 E CB 0.043 29.799 29.700 0.094 0.000 0.863 312 E HN 0.558 nan 8.360 nan 0.000 0.520 313 A N 1.150 123.979 122.820 0.015 0.000 1.909 313 A HA -0.041 4.278 4.320 -0.001 0.000 0.215 313 A C 0.475 178.113 177.584 0.090 0.000 1.392 313 A CA 0.721 52.786 52.037 0.045 0.000 0.599 313 A CB -0.133 18.898 19.000 0.051 0.000 1.029 313 A HN 0.323 nan 8.150 nan 0.000 0.480 314 Y N 1.900 122.142 120.300 -0.097 0.000 2.748 314 Y HA 0.408 4.957 4.550 -0.001 0.000 0.359 314 Y C -2.535 173.248 175.900 -0.194 0.000 1.030 314 Y CA -3.662 54.371 58.100 -0.111 0.000 1.169 314 Y CB 0.419 38.841 38.460 -0.064 0.000 1.127 314 Y HN 0.240 nan 8.280 nan 0.000 0.644 315 P HA 0.044 nan 4.420 nan 0.000 0.271 315 P C -0.722 176.197 177.300 -0.635 0.000 1.244 315 P CA -0.114 62.542 63.100 -0.739 0.000 0.793 315 P CB 1.029 32.131 31.700 -0.997 0.000 0.984 316 N N -0.181 118.205 118.700 -0.524 0.000 2.206 316 N HA -0.036 4.704 4.740 -0.001 0.000 0.283 316 N C 0.050 175.398 175.510 -0.270 0.000 1.385 316 N CA 0.360 53.216 53.050 -0.324 0.000 1.002 316 N CB -0.552 37.827 38.487 -0.181 0.000 1.423 316 N HN 0.355 nan 8.380 nan 0.000 0.488 317 T N 1.701 116.038 114.554 -0.362 0.000 2.884 317 T HA 0.037 4.386 4.350 -0.001 0.000 0.298 317 T C 0.493 175.118 174.700 -0.126 0.000 0.998 317 T CA -0.413 61.531 62.100 -0.260 0.000 1.124 317 T CB 0.543 69.224 68.868 -0.311 0.000 0.931 317 T HN 0.280 nan 8.240 nan 0.000 0.531 318 S N 3.892 119.550 115.700 -0.069 0.000 2.752 318 S HA 0.018 4.488 4.470 -0.001 0.000 0.329 318 S C 0.310 174.891 174.600 -0.031 0.000 1.204 318 S CA -0.544 57.635 58.200 -0.035 0.000 1.252 318 S CB -0.577 62.611 63.200 -0.020 0.000 1.053 318 S HN 0.526 nan 8.310 nan 0.000 0.533 319 L N 6.811 128.013 121.223 -0.035 0.000 2.540 319 L HA 0.243 4.582 4.340 -0.001 0.000 0.276 319 L C -1.863 174.993 176.870 -0.022 0.000 1.212 319 L CA -0.997 53.824 54.840 -0.032 0.000 0.893 319 L CB -0.145 41.891 42.059 -0.038 0.000 1.138 319 L HN 0.314 nan 8.230 nan 0.000 0.491 320 P HA 0.252 nan 4.420 nan 0.000 0.287 320 P C -2.439 174.846 177.300 -0.024 0.000 1.294 320 P CA -1.505 61.589 63.100 -0.011 0.000 0.776 320 P CB 0.984 32.688 31.700 0.007 0.000 0.889 321 P HA -0.148 nan 4.420 nan 0.000 0.217 321 P C 1.349 178.631 177.300 -0.030 0.000 1.150 321 P CA 1.079 64.162 63.100 -0.028 0.000 0.832 321 P CB -0.100 31.587 31.700 -0.021 0.000 0.787 322 S N -0.214 115.478 115.700 -0.014 0.000 2.444 322 S HA -0.165 4.304 4.470 -0.001 0.000 0.244 322 S C 1.925 176.518 174.600 -0.012 0.000 1.025 322 S CA 1.278 59.477 58.200 -0.002 0.000 0.995 322 S CB -0.717 62.493 63.200 0.017 0.000 0.781 322 S HN 0.252 nan 8.310 nan 0.000 0.496 323 I N -0.677 119.863 120.570 -0.050 0.000 3.194 323 I HA 0.062 4.231 4.170 -0.001 0.000 0.271 323 I C 1.898 177.896 176.117 -0.199 0.000 1.150 323 I CA 0.085 61.295 61.300 -0.151 0.000 1.440 323 I CB -0.211 37.669 38.000 -0.199 0.000 1.276 323 I HN 0.178 nan 8.210 nan 0.000 0.457 324 L N 1.818 122.964 121.223 -0.129 0.000 2.123 324 L HA -0.290 4.050 4.340 -0.001 0.000 0.217 324 L C 2.071 178.882 176.870 -0.098 0.000 1.081 324 L CA 2.095 56.873 54.840 -0.104 0.000 0.772 324 L CB -0.635 41.387 42.059 -0.061 0.000 0.890 324 L HN 0.231 nan 8.230 nan 0.000 0.437 325 E N -0.244 119.907 120.200 -0.082 0.000 1.997 325 E HA -0.215 4.134 4.350 -0.001 0.000 0.196 325 E C 2.035 178.591 176.600 -0.072 0.000 0.990 325 E CA 1.435 57.798 56.400 -0.061 0.000 0.845 325 E CB -0.726 28.951 29.700 -0.038 0.000 0.795 325 E HN 0.566 nan 8.360 nan 0.000 0.479 326 D N -0.352 120.011 120.400 -0.062 0.000 2.191 326 D HA -0.247 4.393 4.640 -0.001 0.000 0.190 326 D C 1.950 178.211 176.300 -0.065 0.000 1.007 326 D CA 2.384 56.366 54.000 -0.030 0.000 0.865 326 D CB -0.370 40.458 40.800 0.046 0.000 0.929 326 D HN 0.278 nan 8.370 nan 0.000 0.447 327 S N 0.052 115.619 115.700 -0.223 0.000 2.368 327 S HA -0.135 4.335 4.470 -0.001 0.000 0.225 327 S C 2.442 176.978 174.600 -0.107 0.000 1.030 327 S CA 0.622 58.684 58.200 -0.231 0.000 0.999 327 S CB -0.750 62.199 63.200 -0.417 0.000 0.844 327 S HN 0.406 nan 8.310 nan 0.000 0.459 328 L N 0.729 121.894 121.223 -0.095 0.000 2.465 328 L HA 0.074 4.413 4.340 -0.001 0.000 0.224 328 L C 2.644 179.485 176.870 -0.049 0.000 1.145 328 L CA 0.941 55.744 54.840 -0.063 0.000 0.834 328 L CB -0.203 41.824 42.059 -0.052 0.000 0.944 328 L HN 0.450 nan 8.230 nan 0.000 0.451 329 E N -0.434 119.740 120.200 -0.043 0.000 2.075 329 E HA -0.186 4.163 4.350 -0.001 0.000 0.190 329 E C 1.525 178.107 176.600 -0.030 0.000 0.969 329 E CA 0.708 57.090 56.400 -0.030 0.000 0.815 329 E CB 0.005 29.694 29.700 -0.019 0.000 0.776 329 E HN 0.541 nan 8.360 nan 0.000 0.457 330 N N 0.914 119.599 118.700 -0.024 0.000 2.443 330 N HA -0.197 4.543 4.740 -0.001 0.000 0.184 330 N C 0.524 176.003 175.510 -0.052 0.000 1.037 330 N CA 0.765 53.797 53.050 -0.031 0.000 0.896 330 N CB 0.013 38.493 38.487 -0.012 0.000 0.959 330 N HN 0.181 nan 8.380 nan 0.000 0.442 331 N N -0.841 117.824 118.700 -0.057 0.000 2.925 331 N HA -0.182 4.557 4.740 -0.001 0.000 0.244 331 N C 0.000 175.448 175.510 -0.104 0.000 1.000 331 N CA 0.583 53.592 53.050 -0.067 0.000 0.895 331 N CB -0.946 37.508 38.487 -0.055 0.000 1.119 331 N HN 0.462 nan 8.380 nan 0.000 0.569 332 E N 0.244 120.361 120.200 -0.139 0.000 2.085 332 E HA -0.040 4.309 4.350 -0.001 0.000 0.194 332 E C 1.491 177.933 176.600 -0.263 0.000 0.994 332 E CA 1.169 57.405 56.400 -0.274 0.000 0.801 332 E CB -0.200 29.304 29.700 -0.327 0.000 0.743 332 E HN 0.617 nan 8.360 nan 0.000 0.453 333 G N 0.249 108.971 108.800 -0.129 0.000 2.632 333 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.224 333 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.224 333 G C -0.044 174.909 174.900 0.088 0.000 1.341 333 G CA -0.501 44.576 45.100 -0.039 0.000 0.880 333 G HN 0.339 nan 8.290 nan 0.000 0.566 334 V N 1.562 121.538 119.914 0.102 0.000 3.175 334 V HA -0.088 4.032 4.120 -0.001 0.000 0.269 334 V C 0.403 176.711 176.094 0.356 0.000 1.013 334 V CA 1.121 63.511 62.300 0.149 0.000 1.161 334 V CB -0.652 31.240 31.823 0.116 0.000 0.746 334 V HN 0.827 nan 8.190 nan 0.000 0.424 335 P HA -0.219 nan 4.420 nan 0.000 0.219 335 P C 0.910 177.971 177.300 -0.398 0.000 1.145 335 P CA 1.320 64.504 63.100 0.141 0.000 0.813 335 P CB 0.104 31.796 31.700 -0.014 0.000 0.771 336 S N 1.478 117.072 115.700 -0.177 0.000 4.609 336 S HA -0.121 4.348 4.470 -0.001 0.000 0.546 336 S C -1.677 172.652 174.600 -0.451 0.000 1.001 336 S CA -0.288 57.770 58.200 -0.237 0.000 1.031 336 S CB -0.369 62.801 63.200 -0.050 0.000 1.782 336 S HN 0.179 nan 8.310 nan 0.000 0.374 337 P HA 0.167 nan 4.420 nan 0.000 0.235 337 P C -0.239 176.969 177.300 -0.152 0.000 1.720 337 P CA 0.412 63.387 63.100 -0.208 0.000 1.003 337 P CB -0.677 30.968 31.700 -0.092 0.000 1.968 338 M N 2.071 121.541 119.600 -0.216 0.000 2.394 338 M HA 0.201 4.681 4.480 -0.001 0.000 0.267 338 M C -2.222 174.118 176.300 0.067 0.000 0.992 338 M CA -0.768 54.503 55.300 -0.049 0.000 0.858 338 M CB 1.429 34.018 32.600 -0.017 0.000 2.027 338 M HN -0.021 nan 8.290 nan 0.000 0.508 339 L N 3.077 124.417 121.223 0.195 0.000 2.370 339 L HA 0.850 5.190 4.340 -0.001 0.000 0.266 339 L C -1.002 176.001 176.870 0.222 0.000 1.002 339 L CA 0.135 55.224 54.840 0.415 0.000 0.818 339 L CB 2.448 44.833 42.059 0.544 0.000 1.325 339 L HN 0.625 nan 8.230 nan 0.000 0.418 340 S N 4.731 120.537 115.700 0.176 0.000 2.921 340 S HA 0.449 4.919 4.470 -0.001 0.000 0.244 340 S C 0.209 174.853 174.600 0.073 0.000 1.291 340 S CA -0.599 57.654 58.200 0.089 0.000 1.010 340 S CB -0.792 62.438 63.200 0.050 0.000 1.255 340 S HN 0.586 nan 8.310 nan 0.000 0.492 341 I N 3.782 124.404 120.570 0.087 0.000 2.397 341 I HA 0.036 4.205 4.170 -0.001 0.000 0.291 341 I C 1.329 177.452 176.117 0.011 0.000 1.125 341 I CA -0.205 61.148 61.300 0.087 0.000 1.961 341 I CB -0.762 37.310 38.000 0.119 0.000 1.508 341 I HN 0.526 nan 8.210 nan 0.000 0.886 342 S N 3.422 119.121 115.700 -0.002 0.000 2.687 342 S HA -0.134 4.336 4.470 -0.001 0.000 0.248 342 S C 0.966 175.506 174.600 -0.101 0.000 1.390 342 S CA 0.072 58.246 58.200 -0.043 0.000 0.963 342 S CB 0.147 63.329 63.200 -0.031 0.000 0.957 342 S HN 0.812 nan 8.310 nan 0.000 0.584 343 N N 0.210 118.852 118.700 -0.097 0.000 2.725 343 N HA -0.145 4.595 4.740 -0.001 0.000 0.280 343 N C -0.638 174.748 175.510 -0.208 0.000 1.017 343 N CA 1.060 54.035 53.050 -0.124 0.000 0.813 343 N CB -1.031 37.396 38.487 -0.100 0.000 0.931 343 N HN 0.489 nan 8.380 nan 0.000 0.570 344 L N -0.451 120.668 121.223 -0.172 0.000 2.995 344 L HA 0.477 4.816 4.340 -0.001 0.000 0.281 344 L C -0.684 176.114 176.870 -0.120 0.000 1.010 344 L CA -0.520 54.201 54.840 -0.198 0.000 1.019 344 L CB 1.637 43.515 42.059 -0.302 0.000 1.601 344 L HN 0.213 nan 8.230 nan 0.000 0.360 345 T N 0.332 114.818 114.554 -0.113 0.000 2.907 345 T HA 0.390 4.739 4.350 -0.001 0.000 0.292 345 T C -0.489 174.165 174.700 -0.076 0.000 1.043 345 T CA -0.292 61.760 62.100 -0.079 0.000 1.003 345 T CB 2.297 71.124 68.868 -0.068 0.000 1.084 345 T HN 0.487 nan 8.240 nan 0.000 0.483 346 Q N 0.793 120.562 119.800 -0.052 0.000 2.722 346 Q HA 0.072 4.412 4.340 -0.001 0.000 0.214 346 Q C 1.088 177.050 176.000 -0.063 0.000 1.109 346 Q CA 0.919 56.697 55.803 -0.042 0.000 1.066 346 Q CB 0.338 29.064 28.738 -0.019 0.000 1.290 346 Q HN 0.935 nan 8.270 nan 0.000 0.620 347 E N -1.118 119.047 120.200 -0.059 0.000 4.429 347 E HA -0.452 3.897 4.350 -0.001 0.000 0.185 347 E C 1.368 177.876 176.600 -0.155 0.000 1.272 347 E CA 1.972 58.325 56.400 -0.079 0.000 2.340 347 E CB -1.108 28.554 29.700 -0.063 0.000 1.837 347 E HN 0.810 nan 8.360 nan 0.000 0.389 348 Q N 0.287 119.977 119.800 -0.184 0.000 2.030 348 Q HA -0.137 4.202 4.340 -0.001 0.000 0.204 348 Q C 2.337 178.096 176.000 -0.402 0.000 0.986 348 Q CA 2.319 57.922 55.803 -0.333 0.000 0.843 348 Q CB -0.080 28.518 28.738 -0.234 0.000 0.904 348 Q HN 0.407 nan 8.270 nan 0.000 0.420 349 V N 0.889 120.702 119.914 -0.168 0.000 2.469 349 V HA -0.296 3.824 4.120 -0.001 0.000 0.251 349 V C 2.198 178.274 176.094 -0.029 0.000 1.064 349 V CA 1.958 64.239 62.300 -0.032 0.000 1.066 349 V CB -0.534 31.291 31.823 0.003 0.000 0.667 349 V HN 0.331 nan 8.190 nan 0.000 0.461 350 Q N 0.273 120.026 119.800 -0.078 0.000 1.890 350 Q HA -0.175 4.164 4.340 -0.001 0.000 0.208 350 Q C 2.022 177.986 176.000 -0.061 0.000 0.982 350 Q CA 2.063 57.838 55.803 -0.046 0.000 0.856 350 Q CB -0.730 27.982 28.738 -0.043 0.000 0.915 350 Q HN 0.577 nan 8.270 nan 0.000 0.427 351 D N -0.786 119.535 120.400 -0.132 0.000 2.600 351 D HA -0.294 4.345 4.640 -0.001 0.000 0.194 351 D C 1.932 178.243 176.300 0.018 0.000 1.040 351 D CA 2.266 56.199 54.000 -0.110 0.000 0.871 351 D CB -0.728 39.932 40.800 -0.234 0.000 0.973 351 D HN 0.448 nan 8.370 nan 0.000 0.470 352 Y N 0.802 121.120 120.300 0.029 0.000 2.053 352 Y HA -0.247 4.302 4.550 -0.001 0.000 0.277 352 Y C 2.874 178.781 175.900 0.011 0.000 1.159 352 Y CA 0.516 58.635 58.100 0.032 0.000 1.125 352 Y CB -0.666 37.831 38.460 0.062 0.000 0.969 352 Y HN -0.130 nan 8.280 nan 0.000 0.492 353 V N 0.805 120.825 119.914 0.177 0.000 2.233 353 V HA -0.410 3.709 4.120 -0.001 0.000 0.252 353 V C 1.936 178.047 176.094 0.028 0.000 1.063 353 V CA 2.050 64.397 62.300 0.078 0.000 1.032 353 V CB -0.793 31.055 31.823 0.042 0.000 0.645 353 V HN 0.491 nan 8.190 nan 0.000 0.446 354 N N 0.556 119.267 118.700 0.017 0.000 2.018 354 N HA -0.268 4.471 4.740 -0.001 0.000 0.197 354 N C 1.737 177.217 175.510 -0.051 0.000 1.071 354 N CA 2.141 55.182 53.050 -0.016 0.000 0.887 354 N CB -0.636 37.846 38.487 -0.008 0.000 1.077 354 N HN 0.503 nan 8.380 nan 0.000 0.469 355 K N 0.045 120.430 120.400 -0.025 0.000 2.169 355 K HA -0.226 4.094 4.320 -0.001 0.000 0.213 355 K C 2.106 178.591 176.600 -0.192 0.000 1.050 355 K CA 2.272 58.520 56.287 -0.065 0.000 0.935 355 K CB -0.562 31.982 32.500 0.074 0.000 0.722 355 K HN 0.410 nan 8.250 nan 0.000 0.468 356 T N 1.163 115.673 114.554 -0.074 0.000 2.643 356 T HA -0.127 4.223 4.350 -0.001 0.000 0.264 356 T C 1.584 176.199 174.700 -0.143 0.000 1.045 356 T CA 1.467 63.528 62.100 -0.065 0.000 1.155 356 T CB -0.393 68.470 68.868 -0.009 0.000 0.863 356 T HN 0.254 nan 8.240 nan 0.000 0.420 357 N N 1.413 120.040 118.700 -0.121 0.000 2.094 357 N HA -0.110 4.630 4.740 -0.001 0.000 0.191 357 N C 2.172 177.576 175.510 -0.178 0.000 1.023 357 N CA 1.339 54.322 53.050 -0.113 0.000 0.857 357 N CB -0.602 37.835 38.487 -0.083 0.000 1.013 357 N HN 0.315 nan 8.380 nan 0.000 0.426 358 S N 0.976 116.501 115.700 -0.292 0.000 2.426 358 S HA -0.225 4.244 4.470 -0.001 0.000 0.259 358 S C 1.507 175.928 174.600 -0.298 0.000 1.096 358 S CA 1.697 59.670 58.200 -0.380 0.000 1.219 358 S CB -0.732 62.064 63.200 -0.672 0.000 1.124 358 S HN 0.568 nan 8.310 nan 0.000 0.436 359 H N 0.069 119.140 119.070 0.002 0.000 2.525 359 H HA 0.347 4.903 4.556 -0.001 0.000 0.275 359 H C 0.749 176.075 175.328 -0.003 0.000 0.984 359 H CA 0.010 56.057 56.048 -0.001 0.000 1.264 359 H CB -0.473 29.287 29.762 -0.003 0.000 1.432 359 H HN 0.308 nan 8.280 nan 0.000 0.549 360 L N 3.227 124.459 121.223 0.017 0.000 2.453 360 L HA 0.126 4.465 4.340 -0.001 0.000 0.272 360 L C -1.888 174.980 176.870 -0.003 0.000 1.182 360 L CA -1.685 53.160 54.840 0.008 0.000 0.858 360 L CB 0.509 42.556 42.059 -0.020 0.000 1.120 360 L HN -0.092 nan 8.230 nan 0.000 0.474 361 P HA -0.018 nan 4.420 nan 0.000 0.268 361 P C 0.095 177.387 177.300 -0.014 0.000 1.208 361 P CA 0.014 63.111 63.100 -0.004 0.000 0.777 361 P CB 0.771 32.467 31.700 -0.006 0.000 0.875 362 A N 3.140 125.955 122.820 -0.008 0.000 1.869 362 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 362 A C 2.374 179.952 177.584 -0.010 0.000 1.203 362 A CA 2.582 54.617 52.037 -0.002 0.000 0.638 362 A CB -2.057 16.946 19.000 0.004 0.000 0.831 362 A HN 0.648 nan 8.150 nan 0.000 0.450 363 G N -0.545 108.238 108.800 -0.028 0.000 2.476 363 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.218 363 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.218 363 G C 1.547 176.395 174.900 -0.086 0.000 1.164 363 G CA 1.221 46.286 45.100 -0.058 0.000 0.768 363 G HN 0.621 nan 8.290 nan 0.000 0.560 364 K N 0.641 120.994 120.400 -0.079 0.000 2.525 364 K HA 0.101 4.421 4.320 -0.001 0.000 0.192 364 K C 1.215 177.781 176.600 -0.057 0.000 1.029 364 K CA -0.142 56.097 56.287 -0.080 0.000 1.029 364 K CB 0.113 32.581 32.500 -0.054 0.000 0.814 364 K HN 0.475 nan 8.250 nan 0.000 0.503 365 Q N 0.548 120.318 119.800 -0.051 0.000 2.700 365 Q HA 0.111 4.451 4.340 -0.001 0.000 0.232 365 Q C -0.313 175.623 176.000 -0.106 0.000 1.110 365 Q CA 0.208 55.972 55.803 -0.066 0.000 1.026 365 Q CB 0.767 29.473 28.738 -0.054 0.000 1.311 365 Q HN -0.103 nan 8.270 nan 0.000 0.583 366 V N -0.034 119.789 119.914 -0.151 0.000 2.971 366 V HA 0.246 4.365 4.120 -0.001 0.000 0.309 366 V C -0.634 175.292 176.094 -0.279 0.000 1.130 366 V CA -0.745 61.446 62.300 -0.181 0.000 0.964 366 V CB 2.021 33.800 31.823 -0.072 0.000 1.029 366 V HN 0.781 nan 8.190 nan 0.000 0.427 367 E N 2.626 122.643 120.200 -0.305 0.000 2.239 367 E HA 0.507 4.857 4.350 -0.001 0.000 0.261 367 E C -0.784 175.803 176.600 -0.022 0.000 1.016 367 E CA -0.821 55.445 56.400 -0.223 0.000 0.882 367 E CB 2.110 31.719 29.700 -0.152 0.000 1.190 367 E HN 0.704 nan 8.360 nan 0.000 0.415 368 I N 3.467 124.059 120.570 0.036 0.000 2.224 368 I HA 0.051 4.220 4.170 -0.001 0.000 0.293 368 I C 0.553 176.717 176.117 0.078 0.000 1.155 368 I CA 0.022 61.355 61.300 0.056 0.000 1.297 368 I CB -0.075 37.955 38.000 0.050 0.000 1.487 368 I HN 0.542 nan 8.210 nan 0.000 0.564 369 S N 5.529 121.286 115.700 0.093 0.000 2.412 369 S HA -0.202 4.268 4.470 -0.001 0.000 0.246 369 S C 0.800 175.424 174.600 0.040 0.000 1.073 369 S CA 1.506 59.777 58.200 0.119 0.000 1.186 369 S CB -0.289 62.992 63.200 0.136 0.000 1.084 369 S HN 0.595 nan 8.310 nan 0.000 0.434 370 L N -1.363 119.878 121.223 0.030 0.000 2.250 370 L HA 0.599 4.939 4.340 -0.001 0.000 0.252 370 L C -0.243 176.626 176.870 -0.000 0.000 1.054 370 L CA -0.666 54.174 54.840 -0.000 0.000 0.856 370 L CB 1.917 44.004 42.059 0.046 0.000 1.443 370 L HN -0.102 nan 8.230 nan 0.000 0.427 371 V N -0.340 119.570 119.914 -0.006 0.000 3.399 371 V HA 0.042 4.162 4.120 -0.001 0.000 0.357 371 V C -0.485 175.601 176.094 -0.014 0.000 1.480 371 V CA -0.647 61.645 62.300 -0.014 0.000 1.263 371 V CB 0.311 32.119 31.823 -0.025 0.000 1.103 371 V HN 0.792 nan 8.190 nan 0.000 0.533 372 N N 2.574 121.245 118.700 -0.048 0.000 2.454 372 N HA 0.368 5.107 4.740 -0.001 0.000 0.260 372 N C 0.609 176.023 175.510 -0.160 0.000 1.218 372 N CA 1.332 54.285 53.050 -0.161 0.000 0.904 372 N CB 1.172 39.418 38.487 -0.401 0.000 1.065 372 N HN 0.631 nan 8.380 nan 0.000 0.462 373 G N -0.051 108.661 108.800 -0.147 0.000 2.756 373 G HA2 0.074 4.033 3.960 -0.001 0.000 0.678 373 G HA3 0.074 4.033 3.960 -0.001 0.000 0.678 373 G C 0.360 175.233 174.900 -0.045 0.000 1.349 373 G CA -0.011 45.029 45.100 -0.100 0.000 0.847 373 G HN 0.920 nan 8.290 nan 0.000 0.548 374 A N -0.263 122.537 122.820 -0.034 0.000 2.147 374 A HA 0.354 4.673 4.320 -0.001 0.000 0.211 374 A C 1.983 179.547 177.584 -0.032 0.000 1.160 374 A CA 1.900 53.925 52.037 -0.021 0.000 0.781 374 A CB -0.166 18.828 19.000 -0.011 0.000 0.842 374 A HN 1.073 nan 8.150 nan 0.000 0.475 375 K N -0.820 119.553 120.400 -0.045 0.000 2.324 375 K HA 0.162 4.481 4.320 -0.001 0.000 0.222 375 K C -0.022 176.542 176.600 -0.060 0.000 1.107 375 K CA -0.366 55.887 56.287 -0.057 0.000 0.873 375 K CB -0.574 31.890 32.500 -0.061 0.000 1.270 375 K HN 0.171 nan 8.250 nan 0.000 0.456 376 N N 1.768 120.429 118.700 -0.065 0.000 2.167 376 N HA -0.104 4.635 4.740 -0.001 0.000 0.258 376 N C -0.477 175.006 175.510 -0.045 0.000 1.241 376 N CA 0.918 53.930 53.050 -0.062 0.000 0.829 376 N CB 0.436 38.869 38.487 -0.091 0.000 1.072 376 N HN 0.267 nan 8.380 nan 0.000 0.466 377 L N 2.045 123.255 121.223 -0.022 0.000 2.367 377 L HA 0.103 4.443 4.340 -0.001 0.000 0.263 377 L C -0.534 176.354 176.870 0.030 0.000 1.473 377 L CA -0.399 54.441 54.840 -0.001 0.000 0.807 377 L CB 1.127 43.186 42.059 -0.001 0.000 0.968 377 L HN 0.195 nan 8.230 nan 0.000 0.520 378 V N 1.275 121.210 119.914 0.035 0.000 2.814 378 V HA 0.109 4.228 4.120 -0.001 0.000 0.307 378 V C 0.451 176.591 176.094 0.078 0.000 1.089 378 V CA 0.284 62.624 62.300 0.067 0.000 1.212 378 V CB 1.243 33.108 31.823 0.071 0.000 0.912 378 V HN 0.281 nan 8.190 nan 0.000 0.497 379 V N 3.179 123.150 119.914 0.096 0.000 3.102 379 V HA 0.838 4.958 4.120 -0.001 0.000 0.312 379 V C -0.261 175.880 176.094 0.079 0.000 1.135 379 V CA -0.328 62.024 62.300 0.086 0.000 1.022 379 V CB 2.398 34.275 31.823 0.089 0.000 1.056 379 V HN 0.961 nan 8.190 nan 0.000 0.436 380 S N 0.029 115.765 115.700 0.059 0.000 2.567 380 S HA 0.903 5.372 4.470 -0.001 0.000 0.270 380 S C -0.555 174.060 174.600 0.024 0.000 1.152 380 S CA 0.313 58.538 58.200 0.041 0.000 0.835 380 S CB 1.803 65.048 63.200 0.074 0.000 1.115 380 S HN 1.693 nan 8.310 nan 0.000 0.459 381 G N 1.775 110.584 108.800 0.016 0.000 2.427 381 G HA2 0.571 4.530 3.960 -0.001 0.000 0.306 381 G HA3 0.571 4.530 3.960 -0.001 0.000 0.306 381 G C -3.410 171.523 174.900 0.054 0.000 1.280 381 G CA -0.623 44.489 45.100 0.020 0.000 0.837 381 G HN 0.606 nan 8.290 nan 0.000 0.482 382 P HA 0.128 nan 4.420 nan 0.000 0.267 382 P C -1.745 175.617 177.300 0.103 0.000 1.201 382 P CA -0.522 62.722 63.100 0.240 0.000 0.775 382 P CB 1.092 32.900 31.700 0.181 0.000 0.854 383 P HA -0.243 nan 4.420 nan 0.000 0.215 383 P C 1.357 178.640 177.300 -0.028 0.000 1.163 383 P CA 1.853 64.918 63.100 -0.059 0.000 0.894 383 P CB 0.014 31.669 31.700 -0.076 0.000 0.791 384 Q N 0.360 120.190 119.800 0.049 0.000 1.061 384 Q HA -0.189 4.150 4.340 -0.001 0.000 0.758 384 Q C 2.390 178.446 176.000 0.094 0.000 0.923 384 Q CA 2.194 58.053 55.803 0.093 0.000 0.875 384 Q CB -1.261 27.535 28.738 0.096 0.000 0.920 384 Q HN 0.328 nan 8.270 nan 0.000 0.274 385 S N 1.024 116.765 115.700 0.068 0.000 2.636 385 S HA -0.361 4.108 4.470 -0.001 0.000 0.344 385 S C 1.783 176.408 174.600 0.042 0.000 1.333 385 S CA 2.274 60.497 58.200 0.038 0.000 1.176 385 S CB -1.439 61.769 63.200 0.013 0.000 1.291 385 S HN 0.478 nan 8.310 nan 0.000 0.453 386 L N 0.079 121.322 121.223 0.033 0.000 2.030 386 L HA -0.246 4.093 4.340 -0.001 0.000 0.222 386 L C 2.619 179.585 176.870 0.160 0.000 1.082 386 L CA 2.696 57.562 54.840 0.042 0.000 0.785 386 L CB -0.684 41.312 42.059 -0.105 0.000 0.895 386 L HN 0.649 nan 8.230 nan 0.000 0.439 387 Y N 0.443 120.791 120.300 0.079 0.000 2.181 387 Y HA -0.168 4.382 4.550 -0.001 0.000 0.288 387 Y C 2.156 178.114 175.900 0.096 0.000 1.146 387 Y CA 1.480 59.685 58.100 0.176 0.000 1.164 387 Y CB -1.051 37.498 38.460 0.147 0.000 0.982 387 Y HN 0.154 nan 8.280 nan 0.000 0.515 388 G N 0.632 109.320 108.800 -0.186 0.000 2.516 388 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.221 388 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.221 388 G C 1.491 176.279 174.900 -0.188 0.000 1.107 388 G CA 1.164 46.096 45.100 -0.279 0.000 0.747 388 G HN 0.533 nan 8.290 nan 0.000 0.567 389 L N -0.229 120.940 121.223 -0.090 0.000 2.168 389 L HA 0.244 4.584 4.340 -0.001 0.000 0.203 389 L C 1.978 178.802 176.870 -0.076 0.000 1.078 389 L CA 1.404 56.219 54.840 -0.041 0.000 0.780 389 L CB -0.800 41.281 42.059 0.037 0.000 0.939 389 L HN 0.017 nan 8.230 nan 0.000 0.451 390 N N 0.347 119.026 118.700 -0.035 0.000 2.258 390 N HA -0.200 4.539 4.740 -0.001 0.000 0.187 390 N C 1.795 177.207 175.510 -0.163 0.000 1.012 390 N CA 1.785 54.816 53.050 -0.032 0.000 0.870 390 N CB -0.287 38.292 38.487 0.152 0.000 0.977 390 N HN 0.431 nan 8.380 nan 0.000 0.434 391 L N 0.754 121.801 121.223 -0.293 0.000 1.924 391 L HA -0.235 4.104 4.340 -0.001 0.000 0.222 391 L C 2.769 179.515 176.870 -0.206 0.000 1.081 391 L CA 2.085 56.752 54.840 -0.288 0.000 0.780 391 L CB -1.423 40.444 42.059 -0.320 0.000 0.891 391 L HN 0.293 nan 8.230 nan 0.000 0.434 392 T N -1.263 113.180 114.554 -0.186 0.000 2.778 392 T HA -0.258 4.092 4.350 -0.001 0.000 0.269 392 T C 1.788 176.316 174.700 -0.286 0.000 1.050 392 T CA 1.524 63.511 62.100 -0.190 0.000 1.137 392 T CB -0.686 68.097 68.868 -0.143 0.000 0.860 392 T HN 0.199 nan 8.240 nan 0.000 0.468 393 L N 1.353 122.404 121.223 -0.286 0.000 2.013 393 L HA -0.062 4.277 4.340 -0.001 0.000 0.212 393 L C 2.692 179.293 176.870 -0.449 0.000 1.073 393 L CA 1.691 56.313 54.840 -0.362 0.000 0.753 393 L CB -0.614 41.333 42.059 -0.186 0.000 0.890 393 L HN 0.180 nan 8.230 nan 0.000 0.432 394 R N 0.034 120.345 120.500 -0.315 0.000 2.082 394 R HA -0.085 4.255 4.340 -0.001 0.000 0.228 394 R C 0.621 176.744 176.300 -0.295 0.000 1.140 394 R CA 1.283 57.206 56.100 -0.295 0.000 0.920 394 R CB -0.576 29.621 30.300 -0.173 0.000 0.828 394 R HN 0.259 nan 8.270 nan 0.000 0.430 395 K N 0.868 121.136 120.400 -0.220 0.000 2.315 395 K HA 0.081 4.401 4.320 -0.001 0.000 0.281 395 K C 0.049 176.529 176.600 -0.200 0.000 1.086 395 K CA 0.601 56.782 56.287 -0.176 0.000 1.042 395 K CB 0.662 33.084 32.500 -0.130 0.000 0.949 395 K HN 0.477 nan 8.250 nan 0.000 0.450 396 A N 2.784 125.490 122.820 -0.189 0.000 3.256 396 A HA -0.123 4.196 4.320 -0.001 0.000 0.199 396 A C 0.201 177.688 177.584 -0.161 0.000 1.504 396 A CA -0.331 51.619 52.037 -0.146 0.000 2.066 396 A CB -0.659 18.240 19.000 -0.169 0.000 0.453 396 A HN 0.557 nan 8.150 nan 0.000 0.535 397 K N 1.352 121.549 120.400 -0.338 0.000 2.382 397 K HA 0.545 4.864 4.320 -0.001 0.000 0.275 397 K C 0.174 176.679 176.600 -0.158 0.000 1.009 397 K CA 0.460 56.513 56.287 -0.391 0.000 0.970 397 K CB 0.675 32.758 32.500 -0.695 0.000 0.934 397 K HN 0.911 nan 8.250 nan 0.000 0.479 398 A N 4.873 127.661 122.820 -0.053 0.000 2.301 398 A HA 0.343 4.663 4.320 -0.001 0.000 0.312 398 A C -1.666 175.902 177.584 -0.027 0.000 1.182 398 A CA -1.502 50.518 52.037 -0.028 0.000 0.826 398 A CB 0.546 19.547 19.000 0.003 0.000 1.134 398 A HN 0.780 nan 8.150 nan 0.000 0.501 399 P HA -0.099 nan 4.420 nan 0.000 0.242 399 P C 0.387 177.679 177.300 -0.013 0.000 1.198 399 P CA 1.230 64.314 63.100 -0.028 0.000 0.756 399 P CB -0.155 31.527 31.700 -0.030 0.000 0.911 400 S N -3.455 112.243 115.700 -0.003 0.000 3.482 400 S HA -0.109 4.360 4.470 -0.001 0.000 0.294 400 S C 0.508 175.107 174.600 -0.001 0.000 1.244 400 S CA 0.365 58.567 58.200 0.003 0.000 0.911 400 S CB -2.747 60.456 63.200 0.005 0.000 1.070 400 S HN 0.562 nan 8.310 nan 0.000 0.614 401 G N 0.930 109.728 108.800 -0.005 0.000 2.327 401 G HA2 0.584 4.543 3.960 -0.001 0.000 0.302 401 G HA3 0.584 4.543 3.960 -0.001 0.000 0.302 401 G C 0.141 175.040 174.900 -0.002 0.000 1.113 401 G CA -0.799 44.298 45.100 -0.004 0.000 0.921 401 G HN 0.768 nan 8.290 nan 0.000 0.425 402 L N 2.390 123.614 121.223 0.001 0.000 3.184 402 L HA -0.184 4.155 4.340 -0.001 0.000 0.355 402 L C 0.954 177.826 176.870 0.003 0.000 1.167 402 L CA 0.843 55.686 54.840 0.005 0.000 0.816 402 L CB 0.451 42.514 42.059 0.006 0.000 1.165 402 L HN 0.894 nan 8.230 nan 0.000 0.603 403 D N 0.862 121.264 120.400 0.004 0.000 2.292 403 D HA -0.098 4.541 4.640 -0.001 0.000 0.322 403 D C 1.187 177.493 176.300 0.010 0.000 1.087 403 D CA -0.099 53.902 54.000 0.002 0.000 0.857 403 D CB -0.056 40.739 40.800 -0.009 0.000 1.445 403 D HN 0.637 nan 8.370 nan 0.000 0.528 404 Q N 1.173 120.984 119.800 0.019 0.000 2.331 404 Q HA 0.040 4.379 4.340 -0.001 0.000 0.203 404 Q C 1.159 177.184 176.000 0.042 0.000 0.944 404 Q CA 0.744 56.573 55.803 0.043 0.000 0.892 404 Q CB 0.078 28.856 28.738 0.067 0.000 0.983 404 Q HN 0.044 nan 8.270 nan 0.000 0.482 405 S N 0.604 116.321 115.700 0.029 0.000 2.428 405 S HA -0.124 4.346 4.470 -0.001 0.000 0.240 405 S C 0.354 174.969 174.600 0.025 0.000 1.036 405 S CA 1.164 59.378 58.200 0.024 0.000 1.009 405 S CB -0.013 63.196 63.200 0.016 0.000 0.803 405 S HN 0.276 nan 8.310 nan 0.000 0.486 406 R N 0.074 120.589 120.500 0.026 0.000 2.575 406 R HA 0.374 4.714 4.340 -0.001 0.000 0.292 406 R C -0.785 175.535 176.300 0.032 0.000 1.246 406 R CA -0.552 55.564 56.100 0.025 0.000 0.973 406 R CB 0.171 30.481 30.300 0.018 0.000 1.187 406 R HN 0.196 nan 8.270 nan 0.000 0.478 407 I N 3.874 124.469 120.570 0.043 0.000 3.494 407 I HA -0.302 3.867 4.170 -0.001 0.000 0.126 407 I C -1.455 174.700 176.117 0.062 0.000 0.972 407 I CA 0.424 61.759 61.300 0.058 0.000 2.750 407 I CB 0.077 38.105 38.000 0.046 0.000 1.121 407 I HN 0.432 nan 8.210 nan 0.000 0.344 408 P HA 0.128 nan 4.420 nan 0.000 0.219 408 P C 0.335 177.686 177.300 0.084 0.000 1.149 408 P CA 0.134 63.274 63.100 0.068 0.000 0.755 408 P CB 0.134 31.893 31.700 0.098 0.000 1.201 409 F N 0.827 120.783 119.950 0.011 0.000 2.047 409 F HA -0.049 4.477 4.527 -0.001 0.000 0.356 409 F C 1.753 177.559 175.800 0.010 0.000 1.028 409 F CA 1.708 59.714 58.000 0.010 0.000 0.820 409 F CB -1.044 37.961 39.000 0.007 0.000 0.684 409 F HN 0.211 nan 8.300 nan 0.000 0.478 410 S N -0.035 115.716 115.700 0.085 0.000 2.835 410 S HA -0.085 4.385 4.470 -0.001 0.000 0.085 410 S C 1.107 175.721 174.600 0.023 0.000 0.622 410 S CA 0.428 58.667 58.200 0.065 0.000 1.515 410 S CB -0.669 62.574 63.200 0.072 0.000 0.919 410 S HN 0.573 nan 8.310 nan 0.000 0.278 411 E N 0.525 120.728 120.200 0.006 0.000 2.444 411 E HA 0.273 4.623 4.350 -0.001 0.000 0.209 411 E C 0.594 177.176 176.600 -0.030 0.000 0.806 411 E CA -0.452 55.945 56.400 -0.005 0.000 1.240 411 E CB 0.482 30.185 29.700 0.004 0.000 1.238 411 E HN 0.382 nan 8.360 nan 0.000 0.591 412 R N 2.540 123.008 120.500 -0.054 0.000 2.598 412 R HA -0.085 4.254 4.340 -0.001 0.000 0.266 412 R C -0.419 175.825 176.300 -0.093 0.000 0.977 412 R CA 0.891 56.938 56.100 -0.088 0.000 1.097 412 R CB 0.441 30.645 30.300 -0.159 0.000 0.911 412 R HN -0.104 nan 8.270 nan 0.000 0.419 413 K N 3.378 123.740 120.400 -0.062 0.000 2.139 413 K HA 0.326 4.645 4.320 -0.001 0.000 0.243 413 K C -0.084 176.506 176.600 -0.017 0.000 0.983 413 K CA -0.833 55.438 56.287 -0.027 0.000 0.890 413 K CB 0.977 33.477 32.500 -0.000 0.000 1.090 413 K HN 0.397 nan 8.250 nan 0.000 0.445 414 L N 0.964 122.221 121.223 0.058 0.000 2.468 414 L HA 0.245 4.584 4.340 -0.001 0.000 0.253 414 L C 0.182 177.172 176.870 0.199 0.000 1.237 414 L CA -0.093 54.818 54.840 0.118 0.000 0.823 414 L CB -0.084 42.125 42.059 0.250 0.000 1.124 414 L HN 0.415 nan 8.230 nan 0.000 0.504 415 K N -0.082 120.444 120.400 0.210 0.000 2.469 415 K HA 0.577 4.896 4.320 -0.001 0.000 0.254 415 K C -1.224 175.573 176.600 0.328 0.000 0.939 415 K CA -0.625 55.822 56.287 0.267 0.000 0.812 415 K CB 2.331 34.887 32.500 0.092 0.000 1.301 415 K HN 0.182 nan 8.250 nan 0.000 0.433 416 F N 0.012 119.951 119.950 -0.018 0.000 3.255 416 F HA 0.528 5.055 4.527 -0.001 0.000 0.204 416 F C -0.052 175.733 175.800 -0.024 0.000 1.613 416 F CA -0.862 57.130 58.000 -0.014 0.000 0.925 416 F CB 0.760 39.750 39.000 -0.016 0.000 1.893 416 F HN 0.463 nan 8.300 nan 0.000 0.306 417 S N -0.343 115.514 115.700 0.263 0.000 2.520 417 S HA 0.105 4.574 4.470 -0.001 0.000 0.327 417 S C -1.439 173.214 174.600 0.090 0.000 0.591 417 S CA -0.629 57.629 58.200 0.096 0.000 0.675 417 S CB -1.164 62.060 63.200 0.041 0.000 1.031 417 S HN 0.633 nan 8.310 nan 0.000 0.558 418 N N 2.892 121.602 118.700 0.017 0.000 2.275 418 N HA 0.135 4.875 4.740 -0.001 0.000 0.236 418 N C 0.463 175.828 175.510 -0.242 0.000 1.154 418 N CA -0.716 52.312 53.050 -0.037 0.000 0.866 418 N CB 0.382 38.839 38.487 -0.049 0.000 1.093 418 N HN 0.692 nan 8.380 nan 0.000 0.515 419 R N 0.192 120.566 120.500 -0.210 0.000 2.827 419 R HA 0.168 4.507 4.340 -0.001 0.000 0.269 419 R C -0.763 175.396 176.300 -0.235 0.000 1.048 419 R CA 0.158 56.067 56.100 -0.318 0.000 1.173 419 R CB 0.178 30.393 30.300 -0.140 0.000 1.070 419 R HN -0.166 nan 8.270 nan 0.000 0.498 420 F N -0.030 119.932 119.950 0.020 0.000 2.461 420 F HA 0.528 5.054 4.527 -0.001 0.000 0.332 420 F C 0.422 176.226 175.800 0.006 0.000 1.073 420 F CA -1.332 56.678 58.000 0.016 0.000 1.017 420 F CB 0.532 39.539 39.000 0.013 0.000 1.301 420 F HN 0.267 nan 8.300 nan 0.000 0.492 421 L N 1.477 122.836 121.223 0.227 0.000 2.271 421 L HA 0.491 4.831 4.340 -0.001 0.000 0.265 421 L C -2.262 174.656 176.870 0.081 0.000 1.013 421 L CA -1.978 52.930 54.840 0.112 0.000 0.820 421 L CB 1.891 43.993 42.059 0.072 0.000 1.352 421 L HN 0.313 nan 8.230 nan 0.000 0.443 422 P HA 0.157 nan 4.420 nan 0.000 0.252 422 P C -1.114 176.232 177.300 0.076 0.000 1.727 422 P CA 0.041 63.190 63.100 0.082 0.000 1.134 422 P CB 0.283 32.071 31.700 0.147 0.000 1.876 423 V N 2.609 122.517 119.914 -0.010 0.000 2.610 423 V HA 0.238 4.357 4.120 -0.001 0.000 0.288 423 V C 1.298 177.325 176.094 -0.112 0.000 1.055 423 V CA -0.447 61.803 62.300 -0.083 0.000 0.902 423 V CB 1.312 33.024 31.823 -0.185 0.000 1.030 423 V HN 0.308 nan 8.190 nan 0.000 0.448 424 A N 3.489 126.239 122.820 -0.117 0.000 1.972 424 A HA 0.027 4.346 4.320 -0.001 0.000 0.219 424 A C 1.231 178.753 177.584 -0.103 0.000 1.169 424 A CA 1.669 53.622 52.037 -0.139 0.000 0.635 424 A CB -0.011 18.880 19.000 -0.182 0.000 0.810 424 A HN 0.683 nan 8.150 nan 0.000 0.446 425 S N -0.575 115.101 115.700 -0.040 0.000 2.704 425 S HA 0.552 5.022 4.470 -0.001 0.000 0.305 425 S C -2.771 171.877 174.600 0.079 0.000 1.107 425 S CA -1.188 57.049 58.200 0.062 0.000 0.993 425 S CB 1.640 65.008 63.200 0.280 0.000 1.110 425 S HN 0.248 nan 8.310 nan 0.000 0.534 426 P HA 0.359 nan 4.420 nan 0.000 0.213 426 P C -0.842 176.654 177.300 0.326 0.000 1.861 426 P CA -0.408 62.803 63.100 0.186 0.000 1.076 426 P CB -0.380 31.408 31.700 0.146 0.000 1.867 427 F N 1.740 121.702 119.950 0.020 0.000 2.586 427 F HA 0.007 4.534 4.527 -0.001 0.000 0.335 427 F C 1.925 177.718 175.800 -0.012 0.000 1.210 427 F CA 0.234 58.173 58.000 -0.100 0.000 1.359 427 F CB -0.763 38.129 39.000 -0.180 0.000 1.142 427 F HN 0.410 nan 8.300 nan 0.000 0.606 428 H N -0.764 118.440 119.070 0.224 0.000 2.542 428 H HA -0.129 4.427 4.556 -0.001 0.000 0.313 428 H C 0.210 175.651 175.328 0.188 0.000 0.960 428 H CA 0.515 56.666 56.048 0.171 0.000 1.032 428 H CB -1.439 28.429 29.762 0.176 0.000 1.620 428 H HN 0.531 nan 8.280 nan 0.000 0.346 429 S N -0.151 115.684 115.700 0.225 0.000 2.811 429 S HA 0.505 4.975 4.470 -0.001 0.000 0.311 429 S C 0.343 175.104 174.600 0.268 0.000 1.152 429 S CA -0.860 57.495 58.200 0.260 0.000 0.864 429 S CB 2.053 65.367 63.200 0.191 0.000 1.226 429 S HN 0.405 nan 8.310 nan 0.000 0.541 430 H N 0.199 119.301 119.070 0.054 0.000 2.520 430 H HA 0.444 5.000 4.556 -0.001 0.000 0.284 430 H C 0.660 175.990 175.328 0.004 0.000 1.037 430 H CA 0.464 56.529 56.048 0.028 0.000 1.168 430 H CB 0.041 29.815 29.762 0.019 0.000 1.497 430 H HN 0.530 nan 8.280 nan 0.000 0.547 431 L N -3.593 117.694 121.223 0.107 0.000 3.500 431 L HA 0.341 4.680 4.340 -0.001 0.000 0.320 431 L C -0.172 176.727 176.870 0.048 0.000 1.205 431 L CA -0.147 54.719 54.840 0.043 0.000 1.117 431 L CB 0.535 42.593 42.059 -0.001 0.000 1.542 431 L HN -0.051 nan 8.230 nan 0.000 0.622 432 L N 1.738 122.995 121.223 0.058 0.000 2.828 432 L HA 0.509 4.849 4.340 -0.001 0.000 0.233 432 L C -0.028 176.848 176.870 0.009 0.000 1.250 432 L CA 0.186 55.047 54.840 0.035 0.000 1.125 432 L CB 0.757 42.837 42.059 0.035 0.000 1.432 432 L HN 0.091 nan 8.230 nan 0.000 0.444 433 V N 0.419 120.337 119.914 0.007 0.000 3.177 433 V HA 0.183 4.302 4.120 -0.001 0.000 0.220 433 V C -1.143 174.952 176.094 0.001 0.000 1.395 433 V CA 0.497 62.795 62.300 -0.004 0.000 1.317 433 V CB -0.333 31.480 31.823 -0.017 0.000 1.148 433 V HN 0.329 nan 8.190 nan 0.000 0.499 434 P HA -0.170 nan 4.420 nan 0.000 0.219 434 P C 1.072 178.382 177.300 0.016 0.000 1.144 434 P CA 2.264 65.368 63.100 0.008 0.000 0.806 434 P CB 0.122 31.828 31.700 0.009 0.000 0.771 435 A N -0.278 122.553 122.820 0.019 0.000 2.252 435 A HA 0.094 4.413 4.320 -0.001 0.000 0.213 435 A C 2.336 179.936 177.584 0.026 0.000 1.188 435 A CA 0.791 52.845 52.037 0.029 0.000 0.863 435 A CB -0.761 18.259 19.000 0.034 0.000 0.893 435 A HN 0.312 nan 8.150 nan 0.000 0.495 436 S N 1.033 116.739 115.700 0.010 0.000 2.365 436 S HA -0.299 4.170 4.470 -0.001 0.000 0.221 436 S C 1.812 176.419 174.600 0.012 0.000 1.037 436 S CA 1.655 59.855 58.200 0.002 0.000 1.060 436 S CB -0.821 62.373 63.200 -0.010 0.000 0.974 436 S HN 0.526 nan 8.310 nan 0.000 0.427 437 D N 1.345 121.752 120.400 0.011 0.000 2.172 437 D HA -0.148 4.491 4.640 -0.001 0.000 0.196 437 D C 1.991 178.305 176.300 0.022 0.000 0.999 437 D CA 1.360 55.367 54.000 0.012 0.000 0.856 437 D CB -0.436 40.369 40.800 0.009 0.000 0.934 437 D HN 0.484 nan 8.370 nan 0.000 0.453 438 L N 0.987 122.231 121.223 0.035 0.000 2.013 438 L HA -0.213 4.126 4.340 -0.001 0.000 0.212 438 L C 2.760 179.674 176.870 0.072 0.000 1.073 438 L CA 1.564 56.437 54.840 0.055 0.000 0.753 438 L CB -0.456 41.645 42.059 0.070 0.000 0.890 438 L HN 0.221 nan 8.230 nan 0.000 0.432 439 I N -2.701 117.921 120.570 0.086 0.000 2.264 439 I HA -0.290 3.879 4.170 -0.001 0.000 0.248 439 I C 2.208 178.340 176.117 0.025 0.000 1.111 439 I CA 1.575 62.942 61.300 0.112 0.000 1.382 439 I CB -0.726 37.343 38.000 0.117 0.000 1.060 439 I HN 0.299 nan 8.210 nan 0.000 0.418 440 N N 2.239 120.946 118.700 0.011 0.000 2.037 440 N HA -0.224 4.515 4.740 -0.001 0.000 0.196 440 N C 1.825 177.317 175.510 -0.031 0.000 1.034 440 N CA 2.116 55.159 53.050 -0.011 0.000 0.861 440 N CB -0.333 38.152 38.487 -0.004 0.000 1.039 440 N HN 0.581 nan 8.380 nan 0.000 0.427 441 K N 0.653 121.041 120.400 -0.019 0.000 2.097 441 K HA -0.058 4.262 4.320 -0.001 0.000 0.205 441 K C 1.202 177.756 176.600 -0.077 0.000 1.050 441 K CA 0.782 57.051 56.287 -0.030 0.000 0.938 441 K CB -0.058 32.439 32.500 -0.005 0.000 0.718 441 K HN 0.180 nan 8.250 nan 0.000 0.442 442 D N 1.182 121.533 120.400 -0.080 0.000 2.354 442 D HA -0.129 4.511 4.640 -0.001 0.000 0.216 442 D C 1.781 177.777 176.300 -0.507 0.000 0.970 442 D CA 0.871 54.719 54.000 -0.253 0.000 0.905 442 D CB 0.083 40.856 40.800 -0.046 0.000 0.903 442 D HN 0.203 nan 8.370 nan 0.000 0.508 443 L N -0.050 121.009 121.223 -0.273 0.000 2.013 443 L HA -0.108 4.231 4.340 -0.001 0.000 0.204 443 L C 2.612 179.373 176.870 -0.181 0.000 1.081 443 L CA 0.473 55.171 54.840 -0.237 0.000 0.751 443 L CB -0.668 41.319 42.059 -0.121 0.000 0.901 443 L HN -0.123 nan 8.230 nan 0.000 0.440 444 V N 0.096 119.946 119.914 -0.107 0.000 2.324 444 V HA -0.326 3.794 4.120 -0.001 0.000 0.250 444 V C 1.981 178.025 176.094 -0.084 0.000 1.060 444 V CA 1.791 64.052 62.300 -0.064 0.000 1.042 444 V CB -0.879 30.922 31.823 -0.037 0.000 0.650 444 V HN 0.421 nan 8.190 nan 0.000 0.450 445 K N 1.108 121.439 120.400 -0.116 0.000 2.678 445 K HA -0.082 4.237 4.320 -0.001 0.000 0.194 445 K C -0.003 176.518 176.600 -0.132 0.000 1.031 445 K CA 0.533 56.754 56.287 -0.111 0.000 0.961 445 K CB -0.377 32.054 32.500 -0.114 0.000 0.793 445 K HN 0.531 nan 8.250 nan 0.000 0.492 446 N N 1.244 119.862 118.700 -0.137 0.000 2.824 446 N HA 0.014 4.753 4.740 -0.001 0.000 0.224 446 N C -1.233 174.237 175.510 -0.067 0.000 1.418 446 N CA -0.310 52.667 53.050 -0.122 0.000 0.743 446 N CB 0.700 39.064 38.487 -0.204 0.000 1.395 446 N HN 0.003 nan 8.380 nan 0.000 0.548 447 N N 0.974 119.657 118.700 -0.028 0.000 3.062 447 N HA -0.126 4.613 4.740 -0.001 0.000 0.290 447 N C 0.645 176.200 175.510 0.075 0.000 1.102 447 N CA 0.696 53.757 53.050 0.017 0.000 0.888 447 N CB 0.083 38.575 38.487 0.009 0.000 0.889 447 N HN 0.343 nan 8.380 nan 0.000 0.623 448 V N -1.915 118.055 119.914 0.093 0.000 3.195 448 V HA -0.045 4.075 4.120 -0.001 0.000 0.256 448 V C 0.708 176.847 176.094 0.076 0.000 1.735 448 V CA 0.210 62.603 62.300 0.156 0.000 1.017 448 V CB 0.196 32.028 31.823 0.015 0.000 0.897 448 V HN 0.450 nan 8.190 nan 0.000 0.387 449 S N 2.711 118.426 115.700 0.025 0.000 3.716 449 S HA 0.275 4.744 4.470 -0.001 0.000 0.254 449 S C 0.375 175.021 174.600 0.076 0.000 1.209 449 S CA 0.026 58.205 58.200 -0.034 0.000 1.026 449 S CB -0.915 62.252 63.200 -0.054 0.000 1.625 449 S HN 0.614 nan 8.310 nan 0.000 0.500 450 F N 0.328 120.265 119.950 -0.022 0.000 2.060 450 F HA 0.542 5.068 4.527 -0.001 0.000 0.218 450 F C 0.135 175.932 175.800 -0.005 0.000 1.186 450 F CA -0.758 57.234 58.000 -0.013 0.000 1.281 450 F CB -0.377 38.618 39.000 -0.009 0.000 1.741 450 F HN 0.338 nan 8.300 nan 0.000 0.359 451 N N 1.237 120.012 118.700 0.125 0.000 2.792 451 N HA -0.087 4.653 4.740 -0.001 0.000 0.258 451 N C -0.229 175.409 175.510 0.213 0.000 1.118 451 N CA 0.490 53.595 53.050 0.091 0.000 0.672 451 N CB -1.249 37.204 38.487 -0.058 0.000 0.913 451 N HN 0.861 nan 8.380 nan 0.000 0.562 452 A N 1.150 124.167 122.820 0.329 0.000 2.495 452 A HA 0.225 4.544 4.320 -0.001 0.000 0.260 452 A C 1.358 179.007 177.584 0.108 0.000 1.608 452 A CA 0.137 52.274 52.037 0.167 0.000 0.834 452 A CB 0.217 19.284 19.000 0.110 0.000 1.526 452 A HN 0.227 nan 8.150 nan 0.000 0.578 453 K N 0.552 120.993 120.400 0.068 0.000 2.632 453 K HA -0.037 4.283 4.320 -0.001 0.000 0.196 453 K C 0.024 176.657 176.600 0.055 0.000 1.023 453 K CA 0.317 56.633 56.287 0.049 0.000 1.098 453 K CB -0.630 31.887 32.500 0.029 0.000 0.862 453 K HN 0.519 nan 8.250 nan 0.000 0.504 454 D N 0.522 120.971 120.400 0.083 0.000 2.378 454 D HA -0.055 4.584 4.640 -0.001 0.000 0.227 454 D C 0.528 176.875 176.300 0.078 0.000 1.012 454 D CA 0.172 54.224 54.000 0.087 0.000 0.905 454 D CB 0.157 41.038 40.800 0.136 0.000 0.895 454 D HN 0.261 nan 8.370 nan 0.000 0.532 455 I N 2.761 123.371 120.570 0.067 0.000 2.996 455 I HA -0.167 4.003 4.170 -0.001 0.000 0.285 455 I C 1.745 177.894 176.117 0.053 0.000 1.173 455 I CA 0.034 61.368 61.300 0.058 0.000 1.396 455 I CB 0.216 38.242 38.000 0.045 0.000 1.470 455 I HN -0.118 nan 8.210 nan 0.000 0.586 456 Q N 6.071 125.908 119.800 0.062 0.000 1.579 456 Q HA -0.076 4.263 4.340 -0.001 0.000 0.490 456 Q C 1.007 177.039 176.000 0.053 0.000 0.970 456 Q CA 1.240 57.078 55.803 0.057 0.000 0.898 456 Q CB -0.202 28.578 28.738 0.071 0.000 0.936 456 Q HN 0.755 nan 8.270 nan 0.000 0.385 457 I N -0.344 120.265 120.570 0.066 0.000 3.138 457 I HA 0.174 4.343 4.170 -0.001 0.000 0.288 457 I C -2.060 174.104 176.117 0.080 0.000 1.148 457 I CA -2.097 59.245 61.300 0.070 0.000 1.315 457 I CB -0.251 37.800 38.000 0.084 0.000 1.426 457 I HN -0.007 nan 8.210 nan 0.000 0.615 458 P HA 0.182 nan 4.420 nan 0.000 0.273 458 P C -0.633 176.788 177.300 0.202 0.000 1.428 458 P CA -0.144 63.009 63.100 0.089 0.000 0.995 458 P CB 0.706 32.443 31.700 0.062 0.000 1.286 459 V N 5.914 125.920 119.914 0.153 0.000 2.326 459 V HA 0.038 4.157 4.120 -0.001 0.000 0.249 459 V C 0.393 176.630 176.094 0.238 0.000 1.114 459 V CA -0.387 62.044 62.300 0.218 0.000 1.028 459 V CB -1.697 30.206 31.823 0.133 0.000 1.170 459 V HN 0.436 nan 8.190 nan 0.000 0.494 460 Y N 2.034 122.418 120.300 0.140 0.000 2.861 460 Y HA -0.055 4.495 4.550 -0.001 0.000 0.344 460 Y C 1.260 177.191 175.900 0.053 0.000 1.272 460 Y CA 0.476 58.637 58.100 0.103 0.000 1.502 460 Y CB 0.092 38.621 38.460 0.116 0.000 1.333 460 Y HN 0.540 nan 8.280 nan 0.000 0.634 461 D N -0.005 120.484 120.400 0.149 0.000 2.414 461 D HA 0.063 4.702 4.640 -0.001 0.000 0.251 461 D C 0.737 177.095 176.300 0.097 0.000 1.252 461 D CA 0.174 54.242 54.000 0.114 0.000 0.999 461 D CB 1.144 42.008 40.800 0.107 0.000 1.093 461 D HN 0.596 nan 8.370 nan 0.000 0.515 462 T N -0.201 114.424 114.554 0.120 0.000 3.067 462 T HA 0.039 4.388 4.350 -0.001 0.000 0.257 462 T C -0.020 174.718 174.700 0.063 0.000 1.105 462 T CA 0.381 62.539 62.100 0.098 0.000 1.104 462 T CB 0.150 69.109 68.868 0.153 0.000 0.925 462 T HN 0.157 nan 8.240 nan 0.000 0.498 463 F N 2.638 122.612 119.950 0.041 0.000 2.828 463 F HA 0.320 4.847 4.527 -0.001 0.000 0.355 463 F C -0.888 174.922 175.800 0.016 0.000 1.200 463 F CA -1.816 56.202 58.000 0.030 0.000 1.062 463 F CB 0.672 39.694 39.000 0.037 0.000 1.351 463 F HN -0.064 nan 8.300 nan 0.000 0.504 464 D N 3.112 123.691 120.400 0.298 0.000 6.041 464 D HA -0.148 4.491 4.640 -0.001 0.000 0.239 464 D C 0.194 176.555 176.300 0.102 0.000 1.667 464 D CA 0.865 54.972 54.000 0.178 0.000 1.478 464 D CB 0.080 40.980 40.800 0.166 0.000 0.683 464 D HN 0.916 nan 8.370 nan 0.000 0.375 465 G N 3.265 112.129 108.800 0.106 0.000 2.687 465 G HA2 0.339 4.298 3.960 -0.001 0.000 0.288 465 G HA3 0.339 4.298 3.960 -0.001 0.000 0.288 465 G C 0.582 175.332 174.900 -0.249 0.000 0.713 465 G CA 0.580 45.729 45.100 0.082 0.000 2.023 465 G HN 0.546 nan 8.290 nan 0.000 0.529 466 S N 0.851 116.434 115.700 -0.195 0.000 2.537 466 S HA 0.276 4.746 4.470 -0.001 0.000 0.301 466 S C 0.808 175.266 174.600 -0.237 0.000 1.092 466 S CA -0.725 57.358 58.200 -0.195 0.000 1.048 466 S CB 2.154 65.308 63.200 -0.077 0.000 1.053 466 S HN 0.411 nan 8.310 nan 0.000 0.501 467 D N 0.374 120.646 120.400 -0.213 0.000 2.421 467 D HA -0.162 4.477 4.640 -0.001 0.000 0.223 467 D C 1.152 177.415 176.300 -0.062 0.000 0.979 467 D CA 0.831 54.744 54.000 -0.145 0.000 0.959 467 D CB -0.315 40.435 40.800 -0.085 0.000 0.874 467 D HN 0.761 nan 8.370 nan 0.000 0.513 468 L N -0.796 120.396 121.223 -0.052 0.000 5.279 468 L HA -0.264 4.076 4.340 -0.001 0.000 0.428 468 L C 0.051 176.921 176.870 -0.001 0.000 0.974 468 L CA 1.221 56.058 54.840 -0.006 0.000 1.338 468 L CB -1.074 40.997 42.059 0.021 0.000 1.740 468 L HN 0.040 nan 8.230 nan 0.000 0.657 469 R N -0.102 120.392 120.500 -0.010 0.000 2.287 469 R HA 0.665 5.004 4.340 -0.001 0.000 0.327 469 R C -0.051 176.244 176.300 -0.008 0.000 1.109 469 R CA 0.357 56.456 56.100 -0.001 0.000 1.013 469 R CB 0.275 30.578 30.300 0.004 0.000 1.126 469 R HN 0.048 nan 8.270 nan 0.000 0.503 470 V N 5.357 125.269 119.914 -0.004 0.000 3.590 470 V HA 0.051 4.171 4.120 -0.001 0.000 0.389 470 V C 0.579 176.672 176.094 -0.002 0.000 1.545 470 V CA -0.293 62.003 62.300 -0.007 0.000 1.448 470 V CB -0.466 31.349 31.823 -0.012 0.000 1.105 470 V HN 0.639 nan 8.190 nan 0.000 0.537 471 L N 1.774 123.000 121.223 0.004 0.000 5.815 471 L HA -0.437 3.902 4.340 -0.001 0.000 0.053 471 L C 1.726 178.599 176.870 0.005 0.000 1.954 471 L CA 2.876 57.721 54.840 0.008 0.000 1.859 471 L CB -0.949 41.115 42.059 0.008 0.000 2.528 471 L HN 1.619 nan 8.230 nan 0.000 0.918 472 S N -3.327 112.376 115.700 0.004 0.000 3.257 472 S HA -0.154 4.315 4.470 -0.001 0.000 0.300 472 S C 0.896 175.497 174.600 0.001 0.000 1.275 472 S CA 1.799 60.000 58.200 0.001 0.000 1.023 472 S CB -2.535 60.663 63.200 -0.004 0.000 1.180 472 S HN 2.304 nan 8.310 nan 0.000 0.660 473 G N -1.419 107.385 108.800 0.005 0.000 3.934 473 G HA2 0.509 4.469 3.960 -0.001 0.000 0.212 473 G HA3 0.509 4.469 3.960 -0.001 0.000 0.212 473 G C 0.493 175.399 174.900 0.011 0.000 1.126 473 G CA 0.646 45.750 45.100 0.006 0.000 0.877 473 G HN 1.280 nan 8.290 nan 0.000 0.556 474 S N -0.549 115.160 115.700 0.016 0.000 2.524 474 S HA -0.356 4.113 4.470 -0.001 0.000 0.249 474 S C 1.693 176.307 174.600 0.024 0.000 1.261 474 S CA 1.698 59.913 58.200 0.024 0.000 1.551 474 S CB -1.220 61.993 63.200 0.021 0.000 1.976 474 S HN 1.300 nan 8.310 nan 0.000 0.639 475 I N -1.348 119.233 120.570 0.018 0.000 4.327 475 I HA -0.343 3.827 4.170 -0.001 0.000 0.074 475 I C 1.005 177.127 176.117 0.009 0.000 0.569 475 I CA 1.600 62.910 61.300 0.017 0.000 1.123 475 I CB -1.806 36.206 38.000 0.020 0.000 1.000 475 I HN 0.628 nan 8.210 nan 0.000 0.171 476 S N 0.748 116.450 115.700 0.002 0.000 3.033 476 S HA 0.216 4.686 4.470 -0.001 0.000 0.258 476 S C 0.716 175.312 174.600 -0.006 0.000 1.207 476 S CA 0.895 59.088 58.200 -0.012 0.000 1.248 476 S CB 0.340 63.525 63.200 -0.025 0.000 0.932 476 S HN 0.726 nan 8.310 nan 0.000 0.472 477 E N -0.273 119.928 120.200 0.002 0.000 2.629 477 E HA 0.127 4.476 4.350 -0.001 0.000 0.203 477 E C 1.479 178.084 176.600 0.008 0.000 0.939 477 E CA -0.011 56.391 56.400 0.003 0.000 1.439 477 E CB 0.315 30.017 29.700 0.003 0.000 1.490 477 E HN 0.395 nan 8.360 nan 0.000 0.804 478 R N 0.597 121.106 120.500 0.015 0.000 2.191 478 R HA 0.223 4.562 4.340 -0.001 0.000 0.196 478 R C 1.200 177.522 176.300 0.036 0.000 0.991 478 R CA 0.625 56.741 56.100 0.027 0.000 1.075 478 R CB 0.064 30.382 30.300 0.030 0.000 1.040 478 R HN 0.057 nan 8.270 nan 0.000 0.526 479 I N 1.734 122.320 120.570 0.026 0.000 3.518 479 I HA -0.014 4.155 4.170 -0.001 0.000 0.305 479 I C 0.461 176.583 176.117 0.009 0.000 1.204 479 I CA 0.542 61.858 61.300 0.027 0.000 1.211 479 I CB -0.559 37.450 38.000 0.014 0.000 1.018 479 I HN 0.090 nan 8.210 nan 0.000 0.500 480 V N -0.523 119.396 119.914 0.009 0.000 3.279 480 V HA 0.022 4.142 4.120 -0.001 0.000 0.213 480 V C 1.869 177.959 176.094 -0.006 0.000 1.335 480 V CA 0.310 62.603 62.300 -0.013 0.000 1.317 480 V CB 0.441 32.258 31.823 -0.009 0.000 1.209 480 V HN 0.256 nan 8.190 nan 0.000 0.525 481 D N 0.590 121.001 120.400 0.018 0.000 2.269 481 D HA -0.144 4.495 4.640 -0.001 0.000 0.208 481 D C 1.961 178.313 176.300 0.086 0.000 0.963 481 D CA 1.758 55.779 54.000 0.035 0.000 0.864 481 D CB 0.273 41.090 40.800 0.029 0.000 0.936 481 D HN 0.649 nan 8.370 nan 0.000 0.505 482 C N -0.815 118.547 119.300 0.103 0.000 2.500 482 C HA 0.256 4.716 4.460 -0.001 0.000 0.273 482 C C 2.349 177.475 174.990 0.226 0.000 1.428 482 C CA -0.552 58.573 59.018 0.179 0.000 1.766 482 C CB -1.095 26.741 27.740 0.161 0.000 1.817 482 C HN 0.222 nan 8.230 nan 0.000 0.543 483 I N 1.360 121.991 120.570 0.101 0.000 3.649 483 I HA 0.205 4.375 4.170 -0.001 0.000 0.234 483 I C 1.577 177.543 176.117 -0.251 0.000 1.053 483 I CA 0.329 61.591 61.300 -0.064 0.000 1.538 483 I CB -0.005 37.897 38.000 -0.163 0.000 1.445 483 I HN 0.169 nan 8.210 nan 0.000 0.464 484 I N 0.080 120.527 120.570 -0.205 0.000 2.546 484 I HA 0.206 4.375 4.170 -0.001 0.000 0.275 484 I C 0.746 176.846 176.117 -0.027 0.000 1.032 484 I CA 0.424 61.624 61.300 -0.166 0.000 2.040 484 I CB -0.200 37.700 38.000 -0.167 0.000 1.464 484 I HN 0.418 nan 8.210 nan 0.000 0.865 485 R N 1.848 122.383 120.500 0.058 0.000 2.721 485 R HA 0.286 4.625 4.340 -0.001 0.000 0.030 485 R C -0.861 175.542 176.300 0.171 0.000 0.818 485 R CA 0.186 56.339 56.100 0.088 0.000 3.192 485 R CB -0.103 30.222 30.300 0.042 0.000 0.977 485 R HN 0.380 nan 8.270 nan 0.000 0.543 486 L N 3.182 124.543 121.223 0.229 0.000 2.379 486 L HA 0.547 4.886 4.340 -0.001 0.000 0.269 486 L C -1.865 175.198 176.870 0.321 0.000 1.084 486 L CA -2.250 52.770 54.840 0.300 0.000 0.802 486 L CB 1.300 43.568 42.059 0.349 0.000 1.175 486 L HN 0.161 nan 8.230 nan 0.000 0.448 487 P HA -0.005 nan 4.420 nan 0.000 0.313 487 P C 0.346 177.535 177.300 -0.184 0.000 1.332 487 P CA -0.196 62.907 63.100 0.004 0.000 0.777 487 P CB 0.590 32.300 31.700 0.017 0.000 1.599 488 V N -2.651 117.099 119.914 -0.274 0.000 3.193 488 V HA 0.087 4.207 4.120 -0.001 0.000 0.237 488 V C 0.772 176.712 176.094 -0.257 0.000 1.447 488 V CA 0.114 62.295 62.300 -0.197 0.000 1.227 488 V CB -0.639 31.213 31.823 0.047 0.000 1.040 488 V HN 0.485 nan 8.190 nan 0.000 0.458 489 K N -0.059 120.203 120.400 -0.230 0.000 3.013 489 K HA -0.350 3.969 4.320 -0.001 0.000 0.275 489 K C 1.214 177.799 176.600 -0.024 0.000 1.086 489 K CA 1.002 57.186 56.287 -0.172 0.000 0.814 489 K CB -1.087 31.205 32.500 -0.348 0.000 1.212 489 K HN 0.702 nan 8.250 nan 0.000 0.468 490 W N 1.214 122.413 121.300 -0.167 0.000 2.082 490 W HA -0.433 4.226 4.660 -0.001 0.000 0.357 490 W C 1.424 177.852 176.519 -0.152 0.000 1.615 490 W CA 2.692 59.949 57.345 -0.147 0.000 1.766 490 W CB -0.905 28.454 29.460 -0.168 0.000 0.975 490 W HN 0.434 nan 8.180 nan 0.000 0.469 491 E N -1.264 119.095 120.200 0.265 0.000 2.233 491 E HA -0.234 4.115 4.350 -0.001 0.000 0.199 491 E C 1.943 178.520 176.600 -0.039 0.000 1.004 491 E CA 2.344 58.823 56.400 0.132 0.000 0.819 491 E CB -0.283 29.465 29.700 0.081 0.000 0.738 491 E HN 0.350 nan 8.360 nan 0.000 0.478 492 T N -0.690 113.824 114.554 -0.067 0.000 3.014 492 T HA -0.038 4.311 4.350 -0.001 0.000 0.263 492 T C 1.795 176.402 174.700 -0.155 0.000 1.078 492 T CA 1.032 63.083 62.100 -0.082 0.000 1.135 492 T CB -0.001 68.837 68.868 -0.051 0.000 0.895 492 T HN 0.091 nan 8.240 nan 0.000 0.480 493 T N 2.080 116.464 114.554 -0.283 0.000 3.043 493 T HA -0.048 4.301 4.350 -0.001 0.000 0.263 493 T C 2.347 176.607 174.700 -0.733 0.000 1.094 493 T CA 1.382 63.245 62.100 -0.395 0.000 1.127 493 T CB -0.304 68.277 68.868 -0.478 0.000 0.905 493 T HN 0.665 nan 8.240 nan 0.000 0.490 494 T N 2.034 116.106 114.554 -0.803 0.000 2.559 494 T HA -0.164 4.186 4.350 -0.001 0.000 0.251 494 T C 1.262 175.335 174.700 -1.044 0.000 1.122 494 T CA 1.025 62.480 62.100 -1.076 0.000 1.231 494 T CB -1.058 67.522 68.868 -0.479 0.000 0.881 494 T HN 0.567 nan 8.240 nan 0.000 0.397 495 Q N 1.455 120.997 119.800 -0.429 0.000 2.368 495 Q HA -0.196 4.144 4.340 -0.001 0.000 0.352 495 Q C -0.759 175.172 176.000 -0.114 0.000 1.301 495 Q CA 0.209 55.904 55.803 -0.180 0.000 1.059 495 Q CB -2.577 26.129 28.738 -0.054 0.000 1.281 495 Q HN 0.708 nan 8.270 nan 0.000 0.406 496 F N 0.301 120.165 119.950 -0.143 0.000 2.408 496 F HA 0.385 4.911 4.527 -0.001 0.000 0.325 496 F C 1.056 176.810 175.800 -0.077 0.000 1.082 496 F CA -1.417 56.474 58.000 -0.180 0.000 1.032 496 F CB 1.238 40.101 39.000 -0.229 0.000 1.259 496 F HN -0.019 nan 8.300 nan 0.000 0.503 497 K N 2.104 122.600 120.400 0.159 0.000 2.724 497 K HA 0.509 4.829 4.320 -0.001 0.000 0.198 497 K C -0.664 175.933 176.600 -0.006 0.000 1.099 497 K CA -0.304 56.021 56.287 0.064 0.000 1.025 497 K CB 1.050 33.586 32.500 0.059 0.000 1.509 497 K HN 0.565 nan 8.250 nan 0.000 0.564 498 A N 0.026 122.842 122.820 -0.006 0.000 2.373 498 A HA 0.634 4.953 4.320 -0.001 0.000 0.291 498 A C 0.574 178.098 177.584 -0.100 0.000 1.171 498 A CA -0.396 51.598 52.037 -0.073 0.000 0.922 498 A CB 1.025 19.981 19.000 -0.072 0.000 1.400 498 A HN 0.288 nan 8.150 nan 0.000 0.474 499 T N -0.614 113.827 114.554 -0.187 0.000 2.992 499 T HA 0.297 4.646 4.350 -0.001 0.000 0.255 499 T C -0.143 174.240 174.700 -0.528 0.000 0.938 499 T CA 0.323 62.197 62.100 -0.376 0.000 0.895 499 T CB -0.044 68.508 68.868 -0.525 0.000 1.221 499 T HN 0.697 nan 8.240 nan 0.000 0.512 500 H N -0.411 118.662 119.070 0.006 0.000 2.990 500 H HA 0.638 5.193 4.556 -0.001 0.000 0.336 500 H C -1.268 174.064 175.328 0.007 0.000 1.306 500 H CA -1.162 54.897 56.048 0.017 0.000 1.118 500 H CB 1.337 31.128 29.762 0.048 0.000 1.856 500 H HN 0.038 nan 8.280 nan 0.000 0.538 501 I N 2.039 122.704 120.570 0.158 0.000 2.586 501 I HA 0.122 4.292 4.170 -0.001 0.000 0.288 501 I C -0.772 175.359 176.117 0.022 0.000 1.147 501 I CA -0.398 60.951 61.300 0.082 0.000 1.047 501 I CB 2.400 40.462 38.000 0.104 0.000 1.244 501 I HN 0.114 nan 8.210 nan 0.000 0.429 502 L N 5.478 126.695 121.223 -0.010 0.000 2.259 502 L HA 0.360 4.699 4.340 -0.001 0.000 0.288 502 L C -0.933 175.679 176.870 -0.430 0.000 1.051 502 L CA -0.211 54.494 54.840 -0.225 0.000 0.824 502 L CB 0.900 42.867 42.059 -0.152 0.000 1.206 502 L HN 0.527 nan 8.230 nan 0.000 0.429 503 D N 3.034 123.144 120.400 -0.483 0.000 2.392 503 D HA 0.250 4.890 4.640 -0.001 0.000 0.228 503 D C 0.180 176.147 176.300 -0.555 0.000 1.074 503 D CA -0.178 53.578 54.000 -0.407 0.000 0.838 503 D CB 0.820 41.526 40.800 -0.158 0.000 1.067 503 D HN 0.230 nan 8.370 nan 0.000 0.511 504 F N 0.999 120.739 119.950 -0.351 0.000 2.663 504 F HA 0.258 4.784 4.527 -0.001 0.000 0.299 504 F C 1.815 177.554 175.800 -0.102 0.000 1.143 504 F CA -0.790 57.090 58.000 -0.200 0.000 1.387 504 F CB -0.151 38.823 39.000 -0.043 0.000 1.019 504 F HN 0.301 nan 8.300 nan 0.000 0.523 505 G N 2.698 111.489 108.800 -0.016 0.000 2.349 505 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.232 505 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.232 505 G C -1.966 172.954 174.900 0.034 0.000 1.240 505 G CA -0.912 44.216 45.100 0.046 0.000 0.870 505 G HN 0.064 nan 8.290 nan 0.000 0.528 506 P HA 0.077 nan 4.420 nan 0.000 0.231 506 P C 0.898 178.196 177.300 -0.002 0.000 1.210 506 P CA 1.278 64.410 63.100 0.053 0.000 1.332 506 P CB -0.653 31.055 31.700 0.014 0.000 1.594 507 G N 2.240 111.040 108.800 -0.001 0.000 2.825 507 G HA2 0.179 4.139 3.960 -0.001 0.000 0.686 507 G HA3 0.179 4.139 3.960 -0.001 0.000 0.686 507 G C 0.276 175.126 174.900 -0.084 0.000 1.362 507 G CA -0.108 44.979 45.100 -0.021 0.000 0.975 507 G HN 0.785 nan 8.290 nan 0.000 0.594 508 G N 0.492 109.222 108.800 -0.116 0.000 2.909 508 G HA2 0.289 4.248 3.960 -0.001 0.000 0.385 508 G HA3 0.289 4.248 3.960 -0.001 0.000 0.385 508 G C 1.047 175.801 174.900 -0.243 0.000 1.436 508 G CA 0.978 45.973 45.100 -0.175 0.000 0.949 508 G HN 2.553 nan 8.290 nan 0.000 0.556 509 A N 0.050 122.698 122.820 -0.286 0.000 3.074 509 A HA 0.576 4.896 4.320 -0.001 0.000 0.251 509 A C 1.443 178.919 177.584 -0.180 0.000 1.695 509 A CA 1.229 53.088 52.037 -0.298 0.000 1.343 509 A CB -0.833 17.978 19.000 -0.315 0.000 1.078 509 A HN 2.251 nan 8.150 nan 0.000 0.644 510 S N -1.811 113.797 115.700 -0.153 0.000 2.760 510 S HA 0.220 4.689 4.470 -0.001 0.000 0.263 510 S C 0.722 175.255 174.600 -0.111 0.000 1.007 510 S CA 0.420 58.551 58.200 -0.116 0.000 1.358 510 S CB -0.363 62.788 63.200 -0.083 0.000 1.228 510 S HN 0.977 nan 8.310 nan 0.000 0.684 511 G N 1.689 110.420 108.800 -0.115 0.000 2.922 511 G HA2 0.581 4.540 3.960 -0.001 0.000 0.335 511 G HA3 0.581 4.540 3.960 -0.001 0.000 0.335 511 G C 0.611 175.447 174.900 -0.106 0.000 1.016 511 G CA -0.474 44.574 45.100 -0.087 0.000 1.306 511 G HN 0.474 nan 8.290 nan 0.000 0.465 512 L N 0.899 122.010 121.223 -0.185 0.000 5.147 512 L HA -0.368 3.972 4.340 -0.001 0.000 0.401 512 L C 2.862 179.620 176.870 -0.186 0.000 0.896 512 L CA 1.763 56.419 54.840 -0.307 0.000 2.095 512 L CB -1.542 40.359 42.059 -0.264 0.000 1.071 512 L HN 0.590 nan 8.230 nan 0.000 0.628 513 G N -0.218 108.518 108.800 -0.107 0.000 2.740 513 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.224 513 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.224 513 G C 1.220 176.089 174.900 -0.051 0.000 1.156 513 G CA 2.149 47.197 45.100 -0.085 0.000 0.766 513 G HN 0.349 nan 8.290 nan 0.000 0.623 514 V N 0.525 120.385 119.914 -0.090 0.000 2.500 514 V HA 0.048 4.167 4.120 -0.001 0.000 0.243 514 V C 2.501 178.560 176.094 -0.059 0.000 1.039 514 V CA 1.167 63.437 62.300 -0.050 0.000 1.053 514 V CB -0.391 31.371 31.823 -0.102 0.000 0.695 514 V HN 0.363 nan 8.190 nan 0.000 0.463 515 L N 1.157 122.281 121.223 -0.166 0.000 2.021 515 L HA -0.242 4.097 4.340 -0.001 0.000 0.215 515 L C 2.362 179.111 176.870 -0.203 0.000 1.074 515 L CA 2.859 57.555 54.840 -0.241 0.000 0.760 515 L CB -1.560 40.245 42.059 -0.424 0.000 0.889 515 L HN 0.417 nan 8.230 nan 0.000 0.433 516 T N -1.367 113.069 114.554 -0.196 0.000 2.685 516 T HA -0.344 4.006 4.350 -0.001 0.000 0.268 516 T C 1.723 176.498 174.700 0.125 0.000 1.034 516 T CA 2.031 64.159 62.100 0.047 0.000 1.149 516 T CB -0.732 68.291 68.868 0.259 0.000 0.860 516 T HN 0.742 nan 8.240 nan 0.000 0.449 517 H N 1.236 120.305 119.070 -0.002 0.000 2.270 517 H HA -0.044 4.511 4.556 -0.001 0.000 0.299 517 H C 2.586 177.910 175.328 -0.006 0.000 1.077 517 H CA 1.285 57.341 56.048 0.014 0.000 1.294 517 H CB 0.069 29.834 29.762 0.006 0.000 1.371 517 H HN 0.192 nan 8.280 nan 0.000 0.491 518 R N 0.253 120.852 120.500 0.166 0.000 2.222 518 R HA -0.265 4.075 4.340 -0.001 0.000 0.235 518 R C 2.227 178.577 176.300 0.083 0.000 1.112 518 R CA 2.010 58.143 56.100 0.055 0.000 0.897 518 R CB -0.682 29.586 30.300 -0.052 0.000 0.882 518 R HN 0.554 nan 8.270 nan 0.000 0.429 519 N N 0.985 119.708 118.700 0.039 0.000 2.111 519 N HA -0.168 4.572 4.740 -0.001 0.000 0.197 519 N C -0.062 175.485 175.510 0.062 0.000 1.011 519 N CA 1.493 54.568 53.050 0.043 0.000 0.880 519 N CB -0.089 38.432 38.487 0.056 0.000 1.031 519 N HN 0.365 nan 8.380 nan 0.000 0.444 520 K N 0.800 121.249 120.400 0.082 0.000 2.323 520 K HA 0.299 4.618 4.320 -0.001 0.000 0.259 520 K C -1.252 175.382 176.600 0.057 0.000 0.947 520 K CA -0.399 55.919 56.287 0.052 0.000 0.819 520 K CB 1.734 34.250 32.500 0.026 0.000 1.109 520 K HN -0.171 nan 8.250 nan 0.000 0.429 521 D N 1.540 121.972 120.400 0.053 0.000 2.443 521 D HA 0.316 4.955 4.640 -0.001 0.000 0.281 521 D C -0.184 176.137 176.300 0.036 0.000 1.210 521 D CA 0.072 54.117 54.000 0.074 0.000 0.875 521 D CB 1.076 41.939 40.800 0.104 0.000 1.125 521 D HN 0.794 nan 8.370 nan 0.000 0.503 522 G N 0.429 109.229 108.800 0.000 0.000 2.828 522 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.226 522 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.226 522 G C 0.448 175.340 174.900 -0.013 0.000 1.090 522 G CA -0.081 45.020 45.100 0.002 0.000 1.035 522 G HN 0.345 nan 8.290 nan 0.000 0.578 523 T N -0.877 113.655 114.554 -0.038 0.000 2.216 523 T HA 0.633 4.982 4.350 -0.001 0.000 0.155 523 T C 1.614 176.282 174.700 -0.054 0.000 0.727 523 T CA 0.413 62.490 62.100 -0.038 0.000 0.924 523 T CB -0.421 68.433 68.868 -0.023 0.000 2.801 523 T HN 1.052 nan 8.240 nan 0.000 0.375 524 G N 0.322 109.090 108.800 -0.054 0.000 2.597 524 G HA2 0.342 4.301 3.960 -0.001 0.000 0.283 524 G HA3 0.342 4.301 3.960 -0.001 0.000 0.283 524 G C 0.009 174.903 174.900 -0.010 0.000 1.319 524 G CA 0.194 45.275 45.100 -0.032 0.000 1.054 524 G HN 0.560 nan 8.290 nan 0.000 0.583 525 V N 0.729 120.711 119.914 0.114 0.000 3.070 525 V HA 0.155 4.275 4.120 -0.001 0.000 0.355 525 V C 0.221 176.381 176.094 0.110 0.000 1.400 525 V CA -0.550 61.826 62.300 0.127 0.000 1.170 525 V CB -0.155 31.819 31.823 0.252 0.000 1.169 525 V HN 0.820 nan 8.190 nan 0.000 0.554 526 R N 0.583 121.131 120.500 0.079 0.000 4.048 526 R HA -0.149 4.191 4.340 -0.001 0.000 0.110 526 R C -0.686 175.657 176.300 0.073 0.000 0.432 526 R CA 0.433 56.579 56.100 0.076 0.000 0.770 526 R CB -1.227 29.124 30.300 0.084 0.000 1.125 526 R HN 0.247 nan 8.270 nan 0.000 0.220 527 V N 5.477 125.402 119.914 0.019 0.000 2.628 527 V HA 0.528 4.647 4.120 -0.001 0.000 0.306 527 V C 1.068 177.106 176.094 -0.094 0.000 1.045 527 V CA -0.940 61.363 62.300 0.005 0.000 0.905 527 V CB 2.186 33.989 31.823 -0.033 0.000 0.997 527 V HN 0.695 nan 8.190 nan 0.000 0.436 528 I N 2.297 122.822 120.570 -0.074 0.000 3.205 528 I HA 0.435 4.604 4.170 -0.001 0.000 0.310 528 I C 0.675 176.639 176.117 -0.254 0.000 1.089 528 I CA -0.404 60.743 61.300 -0.255 0.000 1.023 528 I CB 2.390 40.175 38.000 -0.357 0.000 1.269 528 I HN 0.417 nan 8.210 nan 0.000 0.512 529 V N 1.800 121.505 119.914 -0.348 0.000 2.503 529 V HA 0.146 4.265 4.120 -0.001 0.000 0.163 529 V C 0.860 176.889 176.094 -0.108 0.000 1.062 529 V CA 0.422 62.569 62.300 -0.255 0.000 1.362 529 V CB -0.618 30.986 31.823 -0.365 0.000 0.864 529 V HN 0.822 nan 8.190 nan 0.000 0.451 530 A N -0.304 122.435 122.820 -0.136 0.000 2.521 530 A HA 0.439 4.759 4.320 -0.001 0.000 0.237 530 A C 0.828 178.413 177.584 0.002 0.000 1.087 530 A CA 0.678 52.760 52.037 0.076 0.000 0.777 530 A CB -1.119 17.991 19.000 0.183 0.000 1.035 530 A HN 2.251 nan 8.150 nan 0.000 0.510 531 G N -0.209 108.624 108.800 0.055 0.000 3.307 531 G HA2 0.079 4.039 3.960 -0.001 0.000 0.686 531 G HA3 0.079 4.039 3.960 -0.001 0.000 0.686 531 G C 0.117 175.066 174.900 0.082 0.000 0.983 531 G CA 0.053 45.172 45.100 0.031 0.000 0.804 531 G HN 1.432 nan 8.290 nan 0.000 0.531 532 T N 3.256 117.826 114.554 0.026 0.000 3.037 532 T HA 0.249 4.598 4.350 -0.001 0.000 0.251 532 T C 1.869 176.530 174.700 -0.065 0.000 1.079 532 T CA 0.317 62.380 62.100 -0.061 0.000 1.067 532 T CB 0.223 69.068 68.868 -0.038 0.000 0.948 532 T HN 0.634 nan 8.240 nan 0.000 0.496 533 L N 2.751 124.012 121.223 0.063 0.000 2.510 533 L HA 0.019 4.359 4.340 -0.001 0.000 0.300 533 L C 0.453 177.288 176.870 -0.059 0.000 1.283 533 L CA 0.676 55.558 54.840 0.070 0.000 0.834 533 L CB 0.361 42.494 42.059 0.124 0.000 1.085 533 L HN 0.454 nan 8.230 nan 0.000 0.545 534 D N 0.623 121.012 120.400 -0.017 0.000 2.989 534 D HA 0.555 5.195 4.640 -0.001 0.000 0.284 534 D C 0.076 176.386 176.300 0.016 0.000 1.212 534 D CA -0.388 53.549 54.000 -0.104 0.000 1.055 534 D CB 1.863 42.684 40.800 0.036 0.000 1.351 534 D HN 0.417 nan 8.370 nan 0.000 0.611 535 I N -1.616 118.963 120.570 0.015 0.000 1.550 535 I HA 0.161 4.331 4.170 -0.001 0.000 0.289 535 I C -1.088 175.042 176.117 0.021 0.000 0.353 535 I CA -0.795 60.524 61.300 0.031 0.000 3.337 535 I CB 0.048 38.076 38.000 0.046 0.000 1.550 535 I HN 0.373 nan 8.210 nan 0.000 0.548 536 N N 1.717 120.431 118.700 0.023 0.000 2.461 536 N HA 0.357 5.096 4.740 -0.001 0.000 0.284 536 N C -2.862 172.665 175.510 0.030 0.000 1.049 536 N CA -1.621 51.440 53.050 0.019 0.000 0.889 536 N CB 1.210 39.706 38.487 0.014 0.000 1.365 536 N HN 0.035 nan 8.380 nan 0.000 0.499 537 P HA -0.172 nan 4.420 nan 0.000 0.050 537 P C -0.127 177.213 177.300 0.066 0.000 0.568 537 P CA 1.035 64.160 63.100 0.042 0.000 1.049 537 P CB 0.031 31.746 31.700 0.025 0.000 1.751 538 D N 1.235 121.686 120.400 0.086 0.000 3.234 538 D HA -0.036 4.604 4.640 -0.001 0.000 0.281 538 D C 0.293 176.718 176.300 0.209 0.000 1.405 538 D CA 0.626 54.705 54.000 0.131 0.000 1.115 538 D CB 0.408 41.248 40.800 0.066 0.000 1.198 538 D HN 0.195 nan 8.370 nan 0.000 0.388 539 D N 0.770 121.279 120.400 0.183 0.000 2.891 539 D HA 0.133 4.772 4.640 -0.001 0.000 0.312 539 D C -0.462 175.957 176.300 0.198 0.000 1.354 539 D CA -0.502 53.637 54.000 0.232 0.000 0.838 539 D CB -0.308 40.648 40.800 0.260 0.000 1.117 539 D HN -0.012 nan 8.370 nan 0.000 0.473 540 D N 1.061 121.519 120.400 0.098 0.000 2.908 540 D HA -0.058 4.581 4.640 -0.001 0.000 0.215 540 D C 0.032 176.304 176.300 -0.047 0.000 1.095 540 D CA 1.315 55.317 54.000 0.005 0.000 0.812 540 D CB 0.421 41.315 40.800 0.157 0.000 1.180 540 D HN 0.427 nan 8.370 nan 0.000 0.512 541 Y N -2.569 117.557 120.300 -0.291 0.000 2.905 541 Y HA 0.449 4.999 4.550 -0.001 0.000 0.322 541 Y C 1.260 176.730 175.900 -0.716 0.000 1.455 541 Y CA -0.517 57.351 58.100 -0.386 0.000 1.083 541 Y CB 0.358 38.636 38.460 -0.303 0.000 1.473 541 Y HN 0.460 nan 8.280 nan 0.000 0.449 542 G N 0.678 109.452 108.800 -0.043 0.000 2.857 542 G HA2 -0.430 3.529 3.960 -0.001 0.000 0.237 542 G HA3 -0.430 3.529 3.960 -0.001 0.000 0.237 542 G C 0.486 175.382 174.900 -0.006 0.000 1.074 542 G CA 1.817 46.881 45.100 -0.060 0.000 0.742 542 G HN 1.320 nan 8.290 nan 0.000 0.555 543 F N -0.821 119.145 119.950 0.026 0.000 2.706 543 F HA 0.557 5.083 4.527 -0.001 0.000 0.308 543 F C 1.591 177.368 175.800 -0.039 0.000 1.095 543 F CA -0.412 57.599 58.000 0.018 0.000 1.244 543 F CB -0.411 38.556 39.000 -0.054 0.000 1.063 543 F HN 0.120 nan 8.300 nan 0.000 0.582 544 K N 0.616 121.269 120.400 0.422 0.000 2.611 544 K HA -0.041 4.278 4.320 -0.001 0.000 0.193 544 K C 1.376 177.974 176.600 -0.002 0.000 1.026 544 K CA 0.171 56.563 56.287 0.175 0.000 1.063 544 K CB 0.053 32.614 32.500 0.102 0.000 0.839 544 K HN 0.257 nan 8.250 nan 0.000 0.505 1670 G N -2.087 106.782 108.800 0.115 0.000 4.882 1670 G HA2 0.086 4.045 3.960 -0.001 0.000 0.210 1670 G HA3 0.086 4.045 3.960 -0.001 0.000 0.210 1670 G C 0.133 175.078 174.900 0.075 0.000 0.811 1670 G CA 0.469 45.630 45.100 0.102 0.000 0.832 1670 G HN 0.226 nan 8.290 nan 0.000 0.467 1671 S N 0.267 116.006 115.700 0.066 0.000 2.545 1671 S HA 0.086 4.555 4.470 -0.001 0.000 0.232 1671 S C 1.412 176.047 174.600 0.057 0.000 1.070 1671 S CA 0.761 58.992 58.200 0.052 0.000 0.923 1671 S CB -0.115 63.109 63.200 0.040 0.000 0.806 1671 S HN 0.582 nan 8.310 nan 0.000 0.506 1672 Q N 2.573 122.414 119.800 0.069 0.000 2.681 1672 Q HA -0.111 4.228 4.340 -0.001 0.000 0.394 1672 Q C -0.438 175.600 176.000 0.065 0.000 1.278 1672 Q CA 1.150 56.998 55.803 0.076 0.000 1.106 1672 Q CB -0.541 28.252 28.738 0.092 0.000 1.205 1672 Q HN 0.749 nan 8.270 nan 0.000 0.475 1673 E N -0.620 119.618 120.200 0.064 0.000 2.393 1673 E HA 0.160 4.510 4.350 -0.001 0.000 0.282 1673 E C -0.291 176.334 176.600 0.042 0.000 1.096 1673 E CA -0.624 55.804 56.400 0.047 0.000 0.866 1673 E CB 0.202 29.924 29.700 0.038 0.000 1.232 1673 E HN 0.460 nan 8.360 nan 0.000 0.431 1674 Q N 1.404 121.221 119.800 0.027 0.000 2.478 1674 Q HA -0.371 3.969 4.340 -0.001 0.000 0.447 1674 Q C 1.791 177.800 176.000 0.015 0.000 0.743 1674 Q CA 3.798 59.610 55.803 0.015 0.000 0.966 1674 Q CB -1.313 27.428 28.738 0.005 0.000 1.221 1674 Q HN 0.914 nan 8.270 nan 0.000 0.856 1675 G N -0.180 108.625 108.800 0.009 0.000 2.843 1675 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.232 1675 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.232 1675 G C 0.483 175.391 174.900 0.013 0.000 1.186 1675 G CA 1.466 46.569 45.100 0.005 0.000 0.766 1675 G HN 0.826 nan 8.290 nan 0.000 0.647 1676 M N -0.061 119.566 119.600 0.045 0.000 3.923 1676 M HA -0.093 4.387 4.480 -0.001 0.000 0.158 1676 M C 1.127 177.480 176.300 0.088 0.000 1.513 1676 M CA 0.896 56.249 55.300 0.088 0.000 1.059 1676 M CB -1.307 31.366 32.600 0.122 0.000 1.337 1676 M HN 1.726 nan 8.290 nan 0.000 0.314 1677 G N 3.792 112.649 108.800 0.095 0.000 2.481 1677 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.328 1677 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.328 1677 G C 1.080 176.019 174.900 0.064 0.000 0.890 1677 G CA 0.789 45.951 45.100 0.102 0.000 0.833 1677 G HN 0.735 nan 8.290 nan 0.000 0.509 1678 M N 0.241 119.834 119.600 -0.012 0.000 2.108 1678 M HA -0.070 4.410 4.480 -0.001 0.000 0.261 1678 M C 2.209 178.515 176.300 0.009 0.000 1.066 1678 M CA 1.749 57.012 55.300 -0.062 0.000 1.107 1678 M CB -1.044 31.505 32.600 -0.085 0.000 1.356 1678 M HN 0.350 nan 8.290 nan 0.000 0.406 1679 D N 0.517 120.922 120.400 0.008 0.000 2.204 1679 D HA -0.268 4.372 4.640 -0.001 0.000 0.189 1679 D C 2.104 178.428 176.300 0.039 0.000 1.006 1679 D CA 1.420 55.426 54.000 0.010 0.000 0.855 1679 D CB -0.677 40.132 40.800 0.015 0.000 0.946 1679 D HN 0.364 nan 8.370 nan 0.000 0.448 1680 L N 0.040 121.306 121.223 0.071 0.000 1.978 1680 L HA -0.301 4.038 4.340 -0.001 0.000 0.218 1680 L C 2.488 179.451 176.870 0.154 0.000 1.075 1680 L CA 1.756 56.659 54.840 0.105 0.000 0.767 1680 L CB -0.631 41.511 42.059 0.138 0.000 0.890 1680 L HN 0.194 nan 8.230 nan 0.000 0.434 1681 Y N 0.596 120.874 120.300 -0.036 0.000 2.066 1681 Y HA -0.544 4.006 4.550 -0.001 0.000 0.235 1681 Y C 2.886 178.757 175.900 -0.048 0.000 1.262 1681 Y CA 2.458 60.499 58.100 -0.097 0.000 1.032 1681 Y CB -0.269 38.017 38.460 -0.291 0.000 0.832 1681 Y HN 0.269 nan 8.280 nan 0.000 0.520 1682 K N -0.411 120.023 120.400 0.057 0.000 2.097 1682 K HA -0.157 4.163 4.320 -0.001 0.000 0.206 1682 K C 1.714 178.333 176.600 0.031 0.000 1.049 1682 K CA 1.810 58.065 56.287 -0.054 0.000 0.933 1682 K CB -0.272 32.148 32.500 -0.134 0.000 0.717 1682 K HN 0.445 nan 8.250 nan 0.000 0.442 1683 T N 0.720 115.304 114.554 0.050 0.000 2.516 1683 T HA -0.183 4.166 4.350 -0.001 0.000 0.261 1683 T C 1.190 175.922 174.700 0.054 0.000 1.130 1683 T CA 1.762 63.888 62.100 0.045 0.000 1.193 1683 T CB -0.397 68.500 68.868 0.048 0.000 0.864 1683 T HN 0.482 nan 8.240 nan 0.000 0.410 1684 S N 0.480 116.227 115.700 0.079 0.000 2.472 1684 S HA 0.445 4.914 4.470 -0.001 0.000 0.303 1684 S C 0.412 175.068 174.600 0.093 0.000 1.099 1684 S CA -1.047 57.194 58.200 0.069 0.000 1.077 1684 S CB 1.963 65.194 63.200 0.052 0.000 1.031 1684 S HN 0.275 nan 8.310 nan 0.000 0.487 1685 K N 1.622 122.066 120.400 0.073 0.000 2.442 1685 K HA -0.098 4.222 4.320 -0.001 0.000 0.199 1685 K C 1.962 178.610 176.600 0.080 0.000 1.044 1685 K CA 1.058 57.394 56.287 0.082 0.000 0.941 1685 K CB -0.512 32.022 32.500 0.056 0.000 0.759 1685 K HN 0.742 nan 8.250 nan 0.000 0.472 1686 A N 1.922 124.780 122.820 0.065 0.000 1.904 1686 A HA -0.145 4.174 4.320 -0.001 0.000 0.207 1686 A C 2.364 179.996 177.584 0.079 0.000 1.231 1686 A CA 1.832 53.900 52.037 0.051 0.000 0.655 1686 A CB -1.307 17.709 19.000 0.027 0.000 0.875 1686 A HN 0.282 nan 8.150 nan 0.000 0.478 1687 A N -1.493 121.389 122.820 0.103 0.000 1.985 1687 A HA -0.353 3.966 4.320 -0.001 0.000 0.223 1687 A C 2.016 179.730 177.584 0.217 0.000 1.189 1687 A CA 2.888 55.022 52.037 0.162 0.000 0.658 1687 A CB -0.929 18.225 19.000 0.256 0.000 0.820 1687 A HN 0.769 nan 8.150 nan 0.000 0.464 1688 Q N 0.567 120.485 119.800 0.195 0.000 1.759 1688 Q HA -0.311 4.029 4.340 -0.001 0.000 0.363 1688 Q C 1.621 177.712 176.000 0.151 0.000 1.050 1688 Q CA 3.028 58.955 55.803 0.206 0.000 0.878 1688 Q CB -0.451 28.404 28.738 0.196 0.000 0.983 1688 Q HN 0.805 nan 8.270 nan 0.000 0.411 1689 D N -0.618 119.855 120.400 0.121 0.000 2.271 1689 D HA -0.147 4.493 4.640 -0.001 0.000 0.207 1689 D C 1.816 178.151 176.300 0.058 0.000 0.983 1689 D CA 1.311 55.364 54.000 0.090 0.000 0.878 1689 D CB -0.637 40.203 40.800 0.067 0.000 0.920 1689 D HN 0.267 nan 8.370 nan 0.000 0.479 1690 V N 0.445 120.377 119.914 0.030 0.000 2.215 1690 V HA -0.313 3.806 4.120 -0.001 0.000 0.249 1690 V C 2.386 178.415 176.094 -0.109 0.000 1.054 1690 V CA 2.418 64.663 62.300 -0.092 0.000 1.012 1690 V CB -1.060 30.630 31.823 -0.223 0.000 0.639 1690 V HN 0.248 nan 8.190 nan 0.000 0.448 1691 W N 0.205 121.408 121.300 -0.161 0.000 2.322 1691 W HA -0.155 4.504 4.660 -0.001 0.000 0.326 1691 W C 2.562 179.014 176.519 -0.113 0.000 1.224 1691 W CA 1.536 58.768 57.345 -0.188 0.000 1.257 1691 W CB -1.376 27.844 29.460 -0.400 0.000 1.174 1691 W HN 0.173 nan 8.180 nan 0.000 0.460 1692 N N 0.386 119.185 118.700 0.166 0.000 2.204 1692 N HA -0.294 4.445 4.740 -0.001 0.000 0.192 1692 N C 1.600 177.176 175.510 0.109 0.000 0.938 1692 N CA 2.544 55.671 53.050 0.128 0.000 0.904 1692 N CB -1.107 37.452 38.487 0.121 0.000 1.069 1692 N HN 0.238 nan 8.380 nan 0.000 0.711 1693 R N 0.625 121.174 120.500 0.082 0.000 2.132 1693 R HA -0.168 4.171 4.340 -0.001 0.000 0.233 1693 R C 2.345 178.704 176.300 0.098 0.000 1.125 1693 R CA 1.866 58.008 56.100 0.070 0.000 0.914 1693 R CB -0.713 29.602 30.300 0.025 0.000 0.845 1693 R HN 0.347 nan 8.270 nan 0.000 0.431 1694 A N 1.388 124.251 122.820 0.072 0.000 1.852 1694 A HA -0.295 4.024 4.320 -0.001 0.000 0.217 1694 A C 2.024 179.765 177.584 0.261 0.000 1.215 1694 A CA 2.087 54.206 52.037 0.136 0.000 0.641 1694 A CB -1.063 17.973 19.000 0.060 0.000 0.838 1694 A HN 0.494 nan 8.150 nan 0.000 0.450 1695 D N -0.709 119.800 120.400 0.180 0.000 2.158 1695 D HA -0.200 4.440 4.640 -0.001 0.000 0.197 1695 D C 1.794 178.165 176.300 0.119 0.000 0.995 1695 D CA 1.451 55.520 54.000 0.116 0.000 0.846 1695 D CB -0.239 40.618 40.800 0.096 0.000 0.941 1695 D HN 0.442 nan 8.370 nan 0.000 0.456 1696 N N 0.321 119.096 118.700 0.125 0.000 2.047 1696 N HA -0.204 4.535 4.740 -0.001 0.000 0.193 1696 N C 1.997 177.568 175.510 0.103 0.000 1.055 1696 N CA 1.014 54.119 53.050 0.093 0.000 0.847 1696 N CB -0.874 37.666 38.487 0.089 0.000 1.038 1696 N HN 0.351 nan 8.380 nan 0.000 0.427 1697 H N -0.208 118.875 119.070 0.021 0.000 2.496 1697 H HA -0.163 4.393 4.556 -0.001 0.000 0.296 1697 H C 1.712 176.988 175.328 -0.088 0.000 1.107 1697 H CA 1.161 57.191 56.048 -0.030 0.000 1.263 1697 H CB -0.386 29.349 29.762 -0.045 0.000 1.369 1697 H HN 0.231 nan 8.280 nan 0.000 0.541 1698 F N 1.799 121.747 119.950 -0.002 0.000 2.012 1698 F HA -0.143 4.384 4.527 -0.001 0.000 0.289 1698 F C 2.813 178.465 175.800 -0.247 0.000 1.185 1698 F CA 1.798 59.694 58.000 -0.174 0.000 1.149 1698 F CB -0.185 38.580 39.000 -0.392 0.000 0.994 1698 F HN 0.134 nan 8.300 nan 0.000 0.481 1699 K N -0.244 120.138 120.400 -0.030 0.000 2.444 1699 K HA -0.244 4.076 4.320 -0.001 0.000 0.200 1699 K C 1.172 177.754 176.600 -0.029 0.000 1.045 1699 K CA 2.008 58.250 56.287 -0.074 0.000 0.934 1699 K CB -0.550 31.894 32.500 -0.093 0.000 0.756 1699 K HN 0.336 nan 8.250 nan 0.000 0.477 1700 D N 0.469 120.834 120.400 -0.058 0.000 2.144 1700 D HA -0.045 4.594 4.640 -0.001 0.000 0.207 1700 D C 1.599 177.825 176.300 -0.124 0.000 0.970 1700 D CA 1.238 55.184 54.000 -0.090 0.000 0.853 1700 D CB 0.200 40.929 40.800 -0.118 0.000 1.007 1700 D HN 0.137 nan 8.370 nan 0.000 0.469 1701 T N -1.342 113.072 114.554 -0.234 0.000 2.901 1701 T HA -0.032 4.317 4.350 -0.001 0.000 0.252 1701 T C -0.325 174.428 174.700 0.088 0.000 1.035 1701 T CA 0.552 62.530 62.100 -0.203 0.000 1.142 1701 T CB 0.044 68.640 68.868 -0.452 0.000 0.869 1701 T HN 0.051 nan 8.240 nan 0.000 0.442 1702 Y N 1.965 122.231 120.300 -0.056 0.000 2.646 1702 Y HA 0.559 5.108 4.550 -0.001 0.000 0.334 1702 Y C 0.514 176.664 175.900 0.418 0.000 1.004 1702 Y CA -2.112 56.125 58.100 0.228 0.000 1.301 1702 Y CB 0.074 38.738 38.460 0.340 0.000 1.093 1702 Y HN 0.215 nan 8.280 nan 0.000 0.530 1703 G N 5.042 114.025 108.800 0.305 0.000 2.638 1703 G HA2 0.158 4.117 3.960 -0.001 0.000 0.227 1703 G HA3 0.158 4.117 3.960 -0.001 0.000 0.227 1703 G C -0.482 174.460 174.900 0.069 0.000 1.096 1703 G CA 1.035 46.245 45.100 0.183 0.000 0.866 1703 G HN 1.523 nan 8.290 nan 0.000 0.493 1704 F N -0.972 118.811 119.950 -0.279 0.000 2.184 1704 F HA 0.115 4.642 4.527 -0.001 0.000 0.318 1704 F C -0.531 175.192 175.800 -0.128 0.000 1.112 1704 F CA -0.356 57.422 58.000 -0.369 0.000 0.912 1704 F CB -0.923 37.678 39.000 -0.665 0.000 4.132 1704 F HN 1.512 nan 8.300 nan 0.000 0.139 1705 S N 5.316 120.941 115.700 -0.124 0.000 2.473 1705 S HA 0.720 5.189 4.470 -0.001 0.000 0.307 1705 S C 0.795 175.332 174.600 -0.106 0.000 1.094 1705 S CA -0.355 57.705 58.200 -0.234 0.000 1.070 1705 S CB 1.570 64.719 63.200 -0.085 0.000 1.019 1705 S HN 0.896 nan 8.310 nan 0.000 0.480 1706 I N 2.922 123.306 120.570 -0.310 0.000 2.052 1706 I HA -0.267 3.902 4.170 -0.001 0.000 0.235 1706 I C 2.351 178.502 176.117 0.057 0.000 1.046 1706 I CA 1.556 62.792 61.300 -0.106 0.000 1.308 1706 I CB -0.733 37.172 38.000 -0.159 0.000 1.031 1706 I HN 0.684 nan 8.210 nan 0.000 0.395 1707 L N 0.463 121.721 121.223 0.058 0.000 2.026 1707 L HA -0.403 3.937 4.340 -0.001 0.000 0.231 1707 L C 2.525 179.390 176.870 -0.009 0.000 1.095 1707 L CA 2.084 56.916 54.840 -0.012 0.000 0.810 1707 L CB -1.063 40.986 42.059 -0.016 0.000 0.909 1707 L HN 0.500 nan 8.230 nan 0.000 0.444 1708 D N 0.418 120.820 120.400 0.004 0.000 2.230 1708 D HA -0.253 4.386 4.640 -0.001 0.000 0.189 1708 D C 2.032 178.335 176.300 0.005 0.000 1.006 1708 D CA 2.335 56.333 54.000 -0.002 0.000 0.853 1708 D CB -0.011 40.790 40.800 0.003 0.000 0.959 1708 D HN 0.241 nan 8.370 nan 0.000 0.449 1709 I N 0.902 121.503 120.570 0.051 0.000 2.335 1709 I HA -0.188 3.981 4.170 -0.001 0.000 0.251 1709 I C 2.716 178.859 176.117 0.044 0.000 1.129 1709 I CA 0.502 61.830 61.300 0.046 0.000 1.402 1709 I CB -1.500 36.587 38.000 0.145 0.000 1.069 1709 I HN 0.034 nan 8.210 nan 0.000 0.424 1710 V N 1.121 121.069 119.914 0.057 0.000 2.283 1710 V HA -0.199 3.920 4.120 -0.001 0.000 0.243 1710 V C 2.456 178.546 176.094 -0.007 0.000 1.039 1710 V CA 1.321 63.649 62.300 0.048 0.000 1.016 1710 V CB -0.303 31.548 31.823 0.046 0.000 0.650 1710 V HN 0.190 nan 8.190 nan 0.000 0.449 1711 I N 1.037 121.582 120.570 -0.041 0.000 2.032 1711 I HA -0.186 3.983 4.170 -0.001 0.000 0.228 1711 I C 1.090 177.188 176.117 -0.031 0.000 1.030 1711 I CA 1.556 62.827 61.300 -0.048 0.000 1.318 1711 I CB -0.546 37.421 38.000 -0.056 0.000 1.049 1711 I HN 0.509 nan 8.210 nan 0.000 0.387 1712 N N 2.270 120.950 118.700 -0.033 0.000 2.495 1712 N HA 0.034 4.774 4.740 -0.001 0.000 0.280 1712 N C -0.550 174.938 175.510 -0.035 0.000 1.168 1712 N CA -0.360 52.671 53.050 -0.033 0.000 0.978 1712 N CB 0.590 39.054 38.487 -0.038 0.000 1.191 1712 N HN 0.180 nan 8.380 nan 0.000 0.497 1713 N N 1.297 119.973 118.700 -0.039 0.000 3.105 1713 N HA 0.155 4.894 4.740 -0.001 0.000 0.256 1713 N C -1.977 173.487 175.510 -0.075 0.000 1.174 1713 N CA -1.781 51.236 53.050 -0.054 0.000 1.030 1713 N CB 0.183 38.645 38.487 -0.041 0.000 1.305 1713 N HN 0.428 nan 8.380 nan 0.000 0.509 1714 P HA -0.069 nan 4.420 nan 0.000 0.299 1714 P C 1.195 178.417 177.300 -0.131 0.000 1.515 1714 P CA 0.078 63.116 63.100 -0.102 0.000 0.770 1714 P CB 0.159 31.794 31.700 -0.107 0.000 1.614 1715 V N 0.251 120.088 119.914 -0.129 0.000 2.747 1715 V HA -0.161 3.958 4.120 -0.001 0.000 0.147 1715 V C 1.716 177.749 176.094 -0.102 0.000 0.734 1715 V CA 1.454 63.672 62.300 -0.137 0.000 1.291 1715 V CB -0.618 31.142 31.823 -0.106 0.000 0.874 1715 V HN 0.456 nan 8.190 nan 0.000 0.384 1716 N N -1.423 117.233 118.700 -0.074 0.000 1.170 1716 N HA -0.297 4.443 4.740 -0.001 0.000 0.121 1716 N C 0.036 175.505 175.510 -0.069 0.000 0.786 1716 N CA 1.855 54.870 53.050 -0.058 0.000 0.876 1716 N CB -1.235 37.221 38.487 -0.053 0.000 1.094 1716 N HN 0.698 nan 8.380 nan 0.000 0.586 1717 L N 2.626 123.804 121.223 -0.076 0.000 2.858 1717 L HA 0.141 4.480 4.340 -0.001 0.000 0.243 1717 L C 1.477 178.277 176.870 -0.116 0.000 1.416 1717 L CA 1.207 55.984 54.840 -0.105 0.000 1.182 1717 L CB -1.421 40.562 42.059 -0.126 0.000 1.564 1717 L HN 0.566 nan 8.230 nan 0.000 0.436 1718 T N -0.994 113.493 114.554 -0.110 0.000 2.533 1718 T HA -0.047 4.302 4.350 -0.001 0.000 0.366 1718 T C 1.009 175.650 174.700 -0.099 0.000 1.055 1718 T CA -0.110 61.904 62.100 -0.143 0.000 1.043 1718 T CB 0.186 68.918 68.868 -0.225 0.000 1.044 1718 T HN 0.296 nan 8.240 nan 0.000 0.535 1719 I N 2.578 123.011 120.570 -0.228 0.000 3.160 1719 I HA -0.044 4.125 4.170 -0.001 0.000 0.311 1719 I C 1.584 177.650 176.117 -0.085 0.000 1.218 1719 I CA 0.524 61.642 61.300 -0.303 0.000 1.440 1719 I CB -0.030 37.496 38.000 -0.791 0.000 1.310 1719 I HN 0.920 nan 8.210 nan 0.000 0.575 1720 H N 2.872 121.868 119.070 -0.124 0.000 3.935 1720 H HA 0.231 4.786 4.556 -0.001 0.000 0.261 1720 H C -0.141 175.567 175.328 0.634 0.000 1.102 1720 H CA -0.644 55.525 56.048 0.202 0.000 1.176 1720 H CB 0.040 29.857 29.762 0.091 0.000 1.434 1720 H HN 0.483 nan 8.280 nan 0.000 0.778 1721 F N 1.152 120.817 119.950 -0.475 0.000 2.117 1721 F HA -0.050 4.477 4.527 -0.001 0.000 0.487 1721 F C 1.627 177.285 175.800 -0.238 0.000 1.253 1721 F CA 0.643 58.448 58.000 -0.324 0.000 1.564 1721 F CB -0.865 38.042 39.000 -0.156 0.000 2.518 1721 F HN 0.312 nan 8.300 nan 0.000 0.723 1722 G N 1.760 110.523 108.800 -0.063 0.000 2.598 1722 G HA2 0.351 4.310 3.960 -0.001 0.000 0.215 1722 G HA3 0.351 4.310 3.960 -0.001 0.000 0.215 1722 G C 1.156 176.078 174.900 0.036 0.000 1.131 1722 G CA 0.458 45.560 45.100 0.004 0.000 0.785 1722 G HN 2.078 nan 8.290 nan 0.000 0.539 1723 G N 0.742 109.464 108.800 -0.129 0.000 2.306 1723 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.274 1723 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.274 1723 G C 0.128 174.761 174.900 -0.446 0.000 0.890 1723 G CA 0.722 45.320 45.100 -0.837 0.000 1.298 1723 G HN 0.732 nan 8.290 nan 0.000 0.445 1724 E N -0.330 119.745 120.200 -0.208 0.000 2.812 1724 E HA -0.077 4.273 4.350 -0.001 0.000 0.276 1724 E C 1.256 177.846 176.600 -0.016 0.000 0.946 1724 E CA 0.848 57.207 56.400 -0.069 0.000 0.971 1724 E CB 0.273 29.941 29.700 -0.053 0.000 0.960 1724 E HN 0.585 nan 8.360 nan 0.000 0.479 1725 K N 2.004 122.435 120.400 0.052 0.000 2.372 1725 K HA 0.220 4.540 4.320 -0.001 0.000 0.200 1725 K C 0.207 176.842 176.600 0.058 0.000 1.022 1725 K CA 0.132 56.476 56.287 0.095 0.000 1.125 1725 K CB 1.150 33.713 32.500 0.106 0.000 0.855 1725 K HN 0.434 nan 8.250 nan 0.000 0.524 1726 G N 0.446 109.264 108.800 0.031 0.000 2.481 1726 G HA2 0.234 4.194 3.960 -0.001 0.000 0.315 1726 G HA3 0.234 4.194 3.960 -0.001 0.000 0.315 1726 G C -0.011 174.898 174.900 0.014 0.000 1.231 1726 G CA -0.553 44.561 45.100 0.023 0.000 0.968 1726 G HN -0.184 nan 8.290 nan 0.000 0.482 1727 K N -0.221 120.188 120.400 0.015 0.000 4.389 1727 K HA -0.284 4.035 4.320 -0.001 0.000 0.336 1727 K C 2.037 178.642 176.600 0.008 0.000 0.673 1727 K CA 1.895 58.188 56.287 0.011 0.000 1.208 1727 K CB -0.696 31.808 32.500 0.005 0.000 0.819 1727 K HN 0.511 nan 8.250 nan 0.000 0.767 1728 R N 1.619 122.116 120.500 -0.004 0.000 2.417 1728 R HA -0.061 4.278 4.340 -0.001 0.000 0.220 1728 R C 2.114 178.399 176.300 -0.025 0.000 1.128 1728 R CA 0.837 56.929 56.100 -0.014 0.000 1.048 1728 R CB -0.972 29.313 30.300 -0.025 0.000 0.835 1728 R HN 0.615 nan 8.270 nan 0.000 0.483 1729 I N 0.604 121.167 120.570 -0.012 0.000 2.054 1729 I HA -0.352 3.818 4.170 -0.001 0.000 0.231 1729 I C 2.190 178.339 176.117 0.053 0.000 1.052 1729 I CA 1.284 62.582 61.300 -0.004 0.000 1.320 1729 I CB -0.142 37.897 38.000 0.065 0.000 1.063 1729 I HN 0.088 nan 8.210 nan 0.000 0.393 1730 R N 0.569 121.115 120.500 0.077 0.000 2.222 1730 R HA -0.314 4.026 4.340 -0.001 0.000 0.235 1730 R C 2.107 178.460 176.300 0.088 0.000 1.112 1730 R CA 2.840 58.994 56.100 0.089 0.000 0.897 1730 R CB -0.831 29.507 30.300 0.064 0.000 0.882 1730 R HN 0.551 nan 8.270 nan 0.000 0.429 1731 E N -0.555 119.678 120.200 0.056 0.000 2.370 1731 E HA -0.233 4.116 4.350 -0.001 0.000 0.205 1731 E C 1.304 177.952 176.600 0.080 0.000 1.037 1731 E CA 1.163 57.591 56.400 0.046 0.000 0.845 1731 E CB -0.039 29.672 29.700 0.018 0.000 0.753 1731 E HN 0.393 nan 8.360 nan 0.000 0.507 1732 N N -0.735 118.032 118.700 0.112 0.000 3.039 1732 N HA -0.009 4.730 4.740 -0.001 0.000 0.231 1732 N C 0.312 176.005 175.510 0.307 0.000 1.053 1732 N CA 0.059 53.233 53.050 0.206 0.000 1.191 1732 N CB -0.228 38.318 38.487 0.098 0.000 1.597 1732 N HN 0.098 nan 8.380 nan 0.000 0.585 1733 Y N 1.877 122.245 120.300 0.114 0.000 3.040 1733 Y HA -0.044 4.505 4.550 -0.001 0.000 0.356 1733 Y C 1.292 177.219 175.900 0.046 0.000 1.096 1733 Y CA -0.370 57.770 58.100 0.067 0.000 2.058 1733 Y CB -0.078 38.405 38.460 0.039 0.000 2.215 1733 Y HN 0.235 nan 8.280 nan 0.000 0.404 1734 S N 0.133 115.974 115.700 0.235 0.000 7.376 1734 S HA -0.024 4.446 4.470 -0.001 0.000 0.042 1734 S C -0.262 174.431 174.600 0.155 0.000 1.533 1734 S CA 0.045 58.364 58.200 0.199 0.000 0.942 1734 S CB -1.335 61.955 63.200 0.149 0.000 0.854 1734 S HN 0.451 nan 8.310 nan 0.000 0.540 1735 A N 3.214 126.097 122.820 0.106 0.000 2.591 1735 A HA 0.405 4.725 4.320 -0.001 0.000 0.244 1735 A C 1.540 179.130 177.584 0.010 0.000 1.031 1735 A CA 1.383 53.449 52.037 0.049 0.000 0.767 1735 A CB -0.671 18.352 19.000 0.038 0.000 0.942 1735 A HN 1.219 nan 8.150 nan 0.000 0.514 1736 M N -0.261 119.305 119.600 -0.057 0.000 2.788 1736 M HA -0.239 4.241 4.480 -0.001 0.000 0.141 1736 M C 0.413 176.580 176.300 -0.221 0.000 0.705 1736 M CA 1.505 56.707 55.300 -0.162 0.000 0.538 1736 M CB -1.977 30.521 32.600 -0.171 0.000 1.991 1736 M HN 0.687 nan 8.290 nan 0.000 0.256 1737 I N 0.490 120.976 120.570 -0.139 0.000 2.385 1737 I HA 0.337 4.507 4.170 -0.001 0.000 0.294 1737 I C 1.166 177.356 176.117 0.122 0.000 0.988 1737 I CA 0.294 61.534 61.300 -0.099 0.000 1.265 1737 I CB 1.174 39.176 38.000 0.003 0.000 1.388 1737 I HN 0.593 nan 8.210 nan 0.000 0.480 1738 F N 4.656 124.539 119.950 -0.112 0.000 2.494 1738 F HA -0.304 4.223 4.527 -0.001 0.000 0.709 1738 F C 1.289 177.038 175.800 -0.084 0.000 0.488 1738 F CA 1.623 59.568 58.000 -0.092 0.000 0.931 1738 F CB -0.947 38.008 39.000 -0.076 0.000 1.752 1738 F HN 0.527 nan 8.300 nan 0.000 0.270 1739 E N 2.331 122.374 120.200 -0.262 0.000 2.510 1739 E HA 0.045 4.394 4.350 -0.001 0.000 0.202 1739 E C 0.940 177.379 176.600 -0.267 0.000 1.072 1739 E CA 1.037 57.220 56.400 -0.362 0.000 0.883 1739 E CB -1.328 28.262 29.700 -0.183 0.000 0.818 1739 E HN 0.706 nan 8.360 nan 0.000 0.548 1740 T N 0.447 114.862 114.554 -0.232 0.000 2.928 1740 T HA 0.385 4.735 4.350 -0.001 0.000 0.305 1740 T C 0.598 175.237 174.700 -0.100 0.000 1.035 1740 T CA -0.170 61.819 62.100 -0.184 0.000 1.145 1740 T CB 0.562 69.317 68.868 -0.187 0.000 0.963 1740 T HN 0.003 nan 8.240 nan 0.000 0.545 1741 I N 2.106 122.688 120.570 0.021 0.000 2.548 1741 I HA 0.432 4.602 4.170 -0.001 0.000 0.287 1741 I C -0.624 175.509 176.117 0.026 0.000 1.103 1741 I CA -1.185 60.113 61.300 -0.002 0.000 1.049 1741 I CB 2.120 40.103 38.000 -0.030 0.000 1.232 1741 I HN 0.398 nan 8.210 nan 0.000 0.429 1742 V N 4.281 124.186 119.914 -0.015 0.000 2.769 1742 V HA 0.372 4.491 4.120 -0.001 0.000 0.312 1742 V C -0.091 175.972 176.094 -0.052 0.000 1.058 1742 V CA -0.378 61.900 62.300 -0.037 0.000 0.952 1742 V CB 2.370 34.170 31.823 -0.038 0.000 1.019 1742 V HN 0.739 nan 8.190 nan 0.000 0.445 1743 D N 1.938 122.303 120.400 -0.060 0.000 2.696 1743 D HA 0.194 4.833 4.640 -0.001 0.000 0.269 1743 D C 1.430 177.697 176.300 -0.055 0.000 1.319 1743 D CA 0.434 54.401 54.000 -0.055 0.000 0.826 1743 D CB 1.145 41.912 40.800 -0.054 0.000 1.086 1743 D HN 0.757 nan 8.370 nan 0.000 0.481 1744 G N 0.605 109.369 108.800 -0.061 0.000 2.446 1744 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.217 1744 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.217 1744 G C 0.961 175.828 174.900 -0.055 0.000 1.168 1744 G CA 0.880 45.942 45.100 -0.063 0.000 0.771 1744 G HN 0.003 nan 8.290 nan 0.000 0.551 1745 K N -0.388 119.978 120.400 -0.055 0.000 2.422 1745 K HA 0.570 4.889 4.320 -0.001 0.000 0.251 1745 K C 0.104 176.677 176.600 -0.045 0.000 0.933 1745 K CA -0.802 55.457 56.287 -0.047 0.000 0.798 1745 K CB 2.446 34.916 32.500 -0.050 0.000 1.238 1745 K HN 0.169 nan 8.250 nan 0.000 0.428 1746 L N 0.883 122.084 121.223 -0.038 0.000 0.640 1746 L HA -0.400 3.939 4.340 -0.001 0.000 0.357 1746 L C 1.483 178.329 176.870 -0.039 0.000 1.037 1746 L CA 0.715 55.534 54.840 -0.036 0.000 1.221 1746 L CB -0.280 41.757 42.059 -0.036 0.000 0.028 1746 L HN 0.757 nan 8.230 nan 0.000 0.112 1747 K N -0.581 119.797 120.400 -0.037 0.000 2.021 1747 K HA -0.034 4.286 4.320 -0.001 0.000 0.205 1747 K C 0.735 177.307 176.600 -0.046 0.000 1.047 1747 K CA 1.854 58.117 56.287 -0.039 0.000 0.943 1747 K CB -0.104 32.376 32.500 -0.035 0.000 0.725 1747 K HN 0.787 nan 8.250 nan 0.000 0.439 1748 T N 0.095 114.620 114.554 -0.049 0.000 3.042 1748 T HA 0.260 4.609 4.350 -0.001 0.000 0.356 1748 T C -0.682 173.980 174.700 -0.063 0.000 1.233 1748 T CA -0.722 61.341 62.100 -0.061 0.000 1.038 1748 T CB 0.859 69.688 68.868 -0.066 0.000 1.089 1748 T HN 0.080 nan 8.240 nan 0.000 0.531 1749 E N 3.381 123.542 120.200 -0.065 0.000 2.683 1749 E HA 0.199 4.549 4.350 -0.001 0.000 0.224 1749 E C -0.553 176.007 176.600 -0.068 0.000 1.046 1749 E CA -0.702 55.660 56.400 -0.063 0.000 0.811 1749 E CB 0.443 30.105 29.700 -0.062 0.000 1.296 1749 E HN 0.564 nan 8.360 nan 0.000 0.421 1750 K N 4.298 124.646 120.400 -0.086 0.000 2.361 1750 K HA 0.081 4.400 4.320 -0.001 0.000 0.283 1750 K C 0.345 176.924 176.600 -0.035 0.000 1.078 1750 K CA -0.310 55.907 56.287 -0.117 0.000 1.041 1750 K CB 0.300 32.648 32.500 -0.253 0.000 0.932 1750 K HN 0.519 nan 8.250 nan 0.000 0.462 1751 I N 4.664 125.217 120.570 -0.029 0.000 3.431 1751 I HA -0.275 3.895 4.170 -0.001 0.000 0.303 1751 I C 0.516 176.701 176.117 0.113 0.000 1.138 1751 I CA 1.188 62.501 61.300 0.021 0.000 1.939 1751 I CB -1.796 36.196 38.000 -0.013 0.000 1.175 1751 I HN 0.750 nan 8.210 nan 0.000 0.415 1752 F N 5.449 125.353 119.950 -0.077 0.000 1.948 1752 F HA -0.339 4.187 4.527 -0.001 0.000 0.214 1752 F C 1.433 177.154 175.800 -0.131 0.000 1.018 1752 F CA 0.799 58.733 58.000 -0.110 0.000 0.779 1752 F CB 0.383 39.294 39.000 -0.149 0.000 1.126 1752 F HN 0.720 nan 8.300 nan 0.000 0.743 1753 K N 2.967 123.581 120.400 0.357 0.000 2.675 1753 K HA -0.013 4.307 4.320 -0.001 0.000 0.326 1753 K C 1.193 177.864 176.600 0.118 0.000 0.935 1753 K CA 0.477 56.903 56.287 0.231 0.000 1.085 1753 K CB -0.118 32.467 32.500 0.141 0.000 1.096 1753 K HN 0.707 nan 8.250 nan 0.000 0.644 1754 E N -1.124 119.084 120.200 0.014 0.000 4.908 1754 E HA -0.235 4.114 4.350 -0.001 0.000 0.164 1754 E C 1.222 177.644 176.600 -0.298 0.000 1.196 1754 E CA 1.832 58.140 56.400 -0.152 0.000 2.347 1754 E CB -1.524 27.970 29.700 -0.344 0.000 1.786 1754 E HN 0.579 nan 8.360 nan 0.000 0.456 1755 I N 2.149 122.526 120.570 -0.321 0.000 2.908 1755 I HA -0.191 3.979 4.170 -0.001 0.000 0.271 1755 I C 0.809 176.563 176.117 -0.606 0.000 1.275 1755 I CA 1.393 62.454 61.300 -0.397 0.000 1.446 1755 I CB -2.845 35.057 38.000 -0.162 0.000 1.092 1755 I HN 0.463 nan 8.210 nan 0.000 0.482 1756 N N 3.107 121.462 118.700 -0.576 0.000 1.903 1756 N HA -0.220 4.520 4.740 -0.001 0.000 0.309 1756 N C 0.765 175.877 175.510 -0.664 0.000 1.241 1756 N CA 0.708 53.373 53.050 -0.642 0.000 0.802 1756 N CB 0.291 38.537 38.487 -0.402 0.000 1.026 1756 N HN 0.210 nan 8.380 nan 0.000 0.492 1757 E N 1.236 121.043 120.200 -0.655 0.000 3.580 1757 E HA -0.420 3.929 4.350 -0.001 0.000 0.462 1757 E C 1.411 177.784 176.600 -0.377 0.000 1.581 1757 E CA 2.521 58.641 56.400 -0.466 0.000 1.318 1757 E CB -1.559 27.889 29.700 -0.420 0.000 1.168 1757 E HN 0.955 nan 8.360 nan 0.000 0.374 1758 H N 0.940 119.941 119.070 -0.114 0.000 2.716 1758 H HA 0.036 4.591 4.556 -0.001 0.000 0.303 1758 H C 1.019 176.280 175.328 -0.111 0.000 1.022 1758 H CA 1.187 57.196 56.048 -0.065 0.000 1.149 1758 H CB -1.035 28.708 29.762 -0.032 0.000 1.499 1758 H HN 0.370 nan 8.280 nan 0.000 0.698 1759 S N 1.514 117.213 115.700 -0.002 0.000 3.964 1759 S HA -0.156 4.313 4.470 -0.001 0.000 0.265 1759 S C -0.393 174.121 174.600 -0.144 0.000 0.774 1759 S CA 0.524 58.689 58.200 -0.059 0.000 1.337 1759 S CB -1.148 61.933 63.200 -0.200 0.000 1.768 1759 S HN 0.667 nan 8.310 nan 0.000 0.414 1760 T N 4.743 119.298 114.554 0.002 0.000 2.869 1760 T HA 0.531 4.880 4.350 -0.001 0.000 0.295 1760 T C 0.182 174.926 174.700 0.074 0.000 0.987 1760 T CA 0.308 62.459 62.100 0.085 0.000 1.109 1760 T CB 1.016 70.041 68.868 0.261 0.000 0.932 1760 T HN 2.122 nan 8.240 nan 0.000 0.518 1761 S N 1.635 117.406 115.700 0.118 0.000 3.080 1761 S HA -0.163 4.306 4.470 -0.001 0.000 0.790 1761 S C -0.637 174.086 174.600 0.206 0.000 0.736 1761 S CA -0.625 57.759 58.200 0.308 0.000 1.493 1761 S CB -1.809 61.601 63.200 0.351 0.000 1.047 1761 S HN 0.727 nan 8.310 nan 0.000 0.709 1762 Y N 3.444 123.790 120.300 0.076 0.000 2.540 1762 Y HA 0.762 5.311 4.550 -0.001 0.000 0.371 1762 Y C 0.885 176.921 175.900 0.228 0.000 1.337 1762 Y CA -0.412 57.726 58.100 0.063 0.000 1.590 1762 Y CB 1.116 39.639 38.460 0.105 0.000 1.676 1762 Y HN 1.185 nan 8.280 nan 0.000 0.614 1763 T N 3.346 117.914 114.554 0.024 0.000 3.888 1763 T HA 0.271 4.620 4.350 -0.001 0.000 0.274 1763 T C -0.835 173.779 174.700 -0.142 0.000 0.639 1763 T CA -0.557 61.533 62.100 -0.017 0.000 1.047 1763 T CB -1.113 67.792 68.868 0.062 0.000 1.111 1763 T HN 0.416 nan 8.240 nan 0.000 0.497 1764 F N 2.469 122.145 119.950 -0.458 0.000 2.532 1764 F HA 0.519 5.046 4.527 -0.001 0.000 0.323 1764 F C 1.247 176.934 175.800 -0.188 0.000 1.234 1764 F CA -0.731 57.073 58.000 -0.326 0.000 1.323 1764 F CB 0.558 39.482 39.000 -0.127 0.000 1.183 1764 F HN 0.461 nan 8.300 nan 0.000 0.589 1765 R N -0.282 120.262 120.500 0.074 0.000 5.523 1765 R HA 0.238 4.577 4.340 -0.001 0.000 0.269 1765 R C -1.545 174.757 176.300 0.004 0.000 0.936 1765 R CA -0.556 55.541 56.100 -0.005 0.000 1.517 1765 R CB -0.041 30.245 30.300 -0.023 0.000 1.223 1765 R HN 0.717 nan 8.270 nan 0.000 0.672 1766 S N 1.217 116.904 115.700 -0.020 0.000 2.718 1766 S HA 0.487 4.957 4.470 -0.001 0.000 0.292 1766 S C 0.148 174.740 174.600 -0.014 0.000 1.125 1766 S CA -0.636 57.562 58.200 -0.003 0.000 1.013 1766 S CB 1.660 64.856 63.200 -0.007 0.000 1.192 1766 S HN 0.762 nan 8.310 nan 0.000 0.535 1767 E N -0.703 119.494 120.200 -0.005 0.000 2.921 1767 E HA 0.280 4.629 4.350 -0.001 0.000 0.203 1767 E C -0.300 176.296 176.600 -0.007 0.000 0.975 1767 E CA -0.172 56.223 56.400 -0.009 0.000 1.225 1767 E CB 0.531 30.232 29.700 0.001 0.000 1.048 1767 E HN 0.587 nan 8.360 nan 0.000 0.477 1768 K N -0.308 120.087 120.400 -0.008 0.000 2.554 1768 K HA 0.273 4.592 4.320 -0.001 0.000 0.211 1768 K C 0.323 176.918 176.600 -0.008 0.000 1.226 1768 K CA 0.149 56.434 56.287 -0.003 0.000 1.025 1768 K CB 2.401 34.907 32.500 0.009 0.000 1.021 1768 K HN 0.080 nan 8.250 nan 0.000 0.600 1769 G N 2.243 111.030 108.800 -0.022 0.000 2.409 1769 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.231 1769 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.231 1769 G C 0.025 174.894 174.900 -0.052 0.000 3.185 1769 G CA -0.652 44.429 45.100 -0.032 0.000 0.941 1769 G HN 0.132 nan 8.290 nan 0.000 0.556 1770 L N 1.014 122.171 121.223 -0.109 0.000 2.270 1770 L HA 0.022 4.361 4.340 -0.001 0.000 0.217 1770 L C 1.928 178.677 176.870 -0.203 0.000 1.107 1770 L CA 1.062 55.783 54.840 -0.200 0.000 0.772 1770 L CB 0.045 41.896 42.059 -0.347 0.000 0.902 1770 L HN 0.468 nan 8.230 nan 0.000 0.439 1771 L N 0.293 121.453 121.223 -0.105 0.000 3.062 1771 L HA 0.044 4.383 4.340 -0.001 0.000 0.264 1771 L C 0.780 177.687 176.870 0.062 0.000 1.242 1771 L CA 0.852 55.688 54.840 -0.008 0.000 1.072 1771 L CB -1.227 40.840 42.059 0.014 0.000 1.420 1771 L HN 0.644 nan 8.230 nan 0.000 0.412 1772 S N -2.570 113.167 115.700 0.062 0.000 4.244 1772 S HA 0.686 5.155 4.470 -0.001 0.000 0.239 1772 S C 0.956 175.647 174.600 0.153 0.000 1.097 1772 S CA 0.008 58.273 58.200 0.107 0.000 1.376 1772 S CB 0.376 63.618 63.200 0.070 0.000 1.691 1772 S HN 0.828 nan 8.310 nan 0.000 0.661 1773 A N 0.633 123.526 122.820 0.122 0.000 2.910 1773 A HA -0.179 4.141 4.320 -0.001 0.000 0.267 1773 A C 1.174 178.873 177.584 0.191 0.000 1.310 1773 A CA 1.980 54.105 52.037 0.146 0.000 0.934 1773 A CB -2.965 16.131 19.000 0.161 0.000 1.057 1773 A HN 1.979 nan 8.150 nan 0.000 0.742 1774 T N -1.796 112.870 114.554 0.188 0.000 4.358 1774 T HA -0.371 3.978 4.350 -0.001 0.000 0.338 1774 T C 0.821 175.652 174.700 0.218 0.000 0.805 1774 T CA 2.359 64.568 62.100 0.182 0.000 1.909 1774 T CB -1.069 67.877 68.868 0.131 0.000 2.045 1774 T HN 1.087 nan 8.240 nan 0.000 0.835 1775 Q N -1.788 118.208 119.800 0.327 0.000 2.378 1775 Q HA 0.254 4.593 4.340 -0.001 0.000 0.216 1775 Q C 1.181 177.435 176.000 0.423 0.000 0.892 1775 Q CA 0.401 56.418 55.803 0.357 0.000 0.931 1775 Q CB 0.312 29.295 28.738 0.407 0.000 1.086 1775 Q HN 0.623 nan 8.270 nan 0.000 0.528 1776 F N -1.721 118.387 119.950 0.263 0.000 2.531 1776 F HA 0.165 4.691 4.527 -0.001 0.000 0.273 1776 F C 2.079 177.974 175.800 0.159 0.000 0.960 1776 F CA 0.678 58.816 58.000 0.230 0.000 1.207 1776 F CB -0.260 38.835 39.000 0.158 0.000 1.012 1776 F HN -0.101 nan 8.300 nan 0.000 0.738 1777 T N 1.073 115.830 114.554 0.339 0.000 2.635 1777 T HA -0.357 3.992 4.350 -0.001 0.000 0.265 1777 T C 1.826 176.623 174.700 0.161 0.000 1.058 1777 T CA 2.368 64.594 62.100 0.210 0.000 1.162 1777 T CB -0.649 68.320 68.868 0.169 0.000 0.859 1777 T HN 0.324 nan 8.240 nan 0.000 0.449 1778 Q N 0.645 120.533 119.800 0.148 0.000 1.948 1778 Q HA -0.110 4.230 4.340 -0.001 0.000 0.205 1778 Q C -0.181 175.859 176.000 0.068 0.000 0.992 1778 Q CA 1.680 57.530 55.803 0.079 0.000 0.849 1778 Q CB -1.541 27.232 28.738 0.059 0.000 0.918 1778 Q HN 0.408 nan 8.270 nan 0.000 0.421 1779 P HA -0.295 nan 4.420 nan 0.000 0.222 1779 P C 0.742 178.051 177.300 0.015 0.000 1.155 1779 P CA 2.382 65.517 63.100 0.059 0.000 0.890 1779 P CB -0.142 31.557 31.700 -0.002 0.000 0.790 1780 A N -1.017 121.851 122.820 0.080 0.000 1.838 1780 A HA -0.091 4.228 4.320 -0.001 0.000 0.215 1780 A C 2.179 179.798 177.584 0.057 0.000 1.273 1780 A CA 1.074 53.181 52.037 0.117 0.000 0.602 1780 A CB -1.519 17.598 19.000 0.195 0.000 0.934 1780 A HN 0.041 nan 8.150 nan 0.000 0.461 1781 L N 0.045 121.317 121.223 0.081 0.000 2.171 1781 L HA -0.293 4.047 4.340 -0.001 0.000 0.216 1781 L C 2.660 179.530 176.870 -0.000 0.000 1.084 1781 L CA 1.865 56.738 54.840 0.056 0.000 0.771 1781 L CB -1.024 41.074 42.059 0.064 0.000 0.890 1781 L HN 0.513 nan 8.230 nan 0.000 0.437 1782 T N -0.252 114.282 114.554 -0.033 0.000 2.613 1782 T HA -0.185 4.164 4.350 -0.001 0.000 0.248 1782 T C 1.846 176.455 174.700 -0.152 0.000 1.107 1782 T CA 0.892 62.947 62.100 -0.075 0.000 1.238 1782 T CB -0.520 68.299 68.868 -0.083 0.000 0.899 1782 T HN 0.213 nan 8.240 nan 0.000 0.400 1783 L N 0.981 122.064 121.223 -0.232 0.000 2.119 1783 L HA -0.285 4.055 4.340 -0.001 0.000 0.226 1783 L C 2.636 179.109 176.870 -0.661 0.000 1.093 1783 L CA 1.877 56.420 54.840 -0.495 0.000 0.806 1783 L CB -0.400 41.279 42.059 -0.635 0.000 0.902 1783 L HN 0.387 nan 8.230 nan 0.000 0.444 1784 M N 0.004 119.331 119.600 -0.456 0.000 2.539 1784 M HA -0.346 4.134 4.480 -0.001 0.000 0.265 1784 M C 2.037 178.282 176.300 -0.093 0.000 1.064 1784 M CA 2.621 57.824 55.300 -0.161 0.000 1.077 1784 M CB -0.793 31.866 32.600 0.098 0.000 1.246 1784 M HN 0.353 nan 8.290 nan 0.000 0.470 1785 E N 0.096 120.268 120.200 -0.046 0.000 2.086 1785 E HA -0.297 4.053 4.350 -0.001 0.000 0.200 1785 E C 1.893 178.490 176.600 -0.006 0.000 1.012 1785 E CA 1.999 58.397 56.400 -0.004 0.000 0.812 1785 E CB -0.353 29.343 29.700 -0.008 0.000 0.743 1785 E HN 0.388 nan 8.360 nan 0.000 0.453 1786 K N 1.360 121.710 120.400 -0.083 0.000 1.990 1786 K HA -0.284 4.036 4.320 -0.001 0.000 0.225 1786 K C 1.935 178.530 176.600 -0.009 0.000 1.053 1786 K CA 2.120 58.369 56.287 -0.064 0.000 0.982 1786 K CB -0.981 31.422 32.500 -0.162 0.000 0.734 1786 K HN 0.119 nan 8.250 nan 0.000 0.448 1787 A N 0.585 123.317 122.820 -0.147 0.000 1.873 1787 A HA -0.275 4.045 4.320 -0.001 0.000 0.219 1787 A C 2.450 180.064 177.584 0.050 0.000 1.269 1787 A CA 3.854 55.851 52.037 -0.068 0.000 0.671 1787 A CB -1.777 17.176 19.000 -0.079 0.000 0.842 1787 A HN 0.691 nan 8.150 nan 0.000 0.460 1788 A N -1.518 121.348 122.820 0.076 0.000 1.944 1788 A HA -0.252 4.068 4.320 -0.001 0.000 0.222 1788 A C 2.056 179.689 177.584 0.082 0.000 1.237 1788 A CA 2.452 54.543 52.037 0.090 0.000 0.668 1788 A CB -1.001 18.056 19.000 0.095 0.000 0.830 1788 A HN 0.913 nan 8.150 nan 0.000 0.471 1789 F N 0.661 120.589 119.950 -0.036 0.000 1.997 1789 F HA -0.194 4.332 4.527 -0.001 0.000 0.296 1789 F C 2.349 178.129 175.800 -0.034 0.000 1.160 1789 F CA 2.231 60.203 58.000 -0.047 0.000 1.176 1789 F CB -0.576 38.384 39.000 -0.068 0.000 0.964 1789 F HN 0.310 nan 8.300 nan 0.000 0.484 1790 E N 0.448 120.664 120.200 0.027 0.000 2.241 1790 E HA -0.430 3.920 4.350 -0.001 0.000 0.244 1790 E C 1.906 178.403 176.600 -0.172 0.000 1.070 1790 E CA 2.125 58.484 56.400 -0.069 0.000 0.998 1790 E CB -1.531 28.180 29.700 0.018 0.000 0.879 1790 E HN 0.619 nan 8.360 nan 0.000 0.501 1791 D N 0.618 120.966 120.400 -0.085 0.000 2.242 1791 D HA -0.218 4.422 4.640 -0.001 0.000 0.190 1791 D C 2.119 178.333 176.300 -0.143 0.000 1.012 1791 D CA 2.175 56.130 54.000 -0.074 0.000 0.875 1791 D CB -0.314 40.472 40.800 -0.023 0.000 0.922 1791 D HN 0.179 nan 8.370 nan 0.000 0.448 1792 L N -0.565 120.515 121.223 -0.238 0.000 1.921 1792 L HA -0.193 4.146 4.340 -0.001 0.000 0.219 1792 L C 2.590 179.270 176.870 -0.317 0.000 1.081 1792 L CA 1.673 56.337 54.840 -0.294 0.000 0.771 1792 L CB -1.013 40.798 42.059 -0.413 0.000 0.888 1792 L HN 0.063 nan 8.230 nan 0.000 0.433 1793 K N 0.360 120.454 120.400 -0.511 0.000 2.218 1793 K HA -0.184 4.135 4.320 -0.001 0.000 0.205 1793 K C 2.262 178.751 176.600 -0.184 0.000 1.046 1793 K CA 1.632 57.721 56.287 -0.329 0.000 0.933 1793 K CB -0.443 31.848 32.500 -0.348 0.000 0.728 1793 K HN 0.261 nan 8.250 nan 0.000 0.454 1794 S N 0.415 116.009 115.700 -0.176 0.000 2.354 1794 S HA -0.148 4.322 4.470 -0.001 0.000 0.219 1794 S C 1.583 176.138 174.600 -0.077 0.000 1.035 1794 S CA 1.496 59.639 58.200 -0.095 0.000 1.037 1794 S CB -0.229 62.926 63.200 -0.074 0.000 0.956 1794 S HN 0.414 nan 8.310 nan 0.000 0.428 1795 K N 0.678 121.029 120.400 -0.083 0.000 2.555 1795 K HA 0.121 4.440 4.320 -0.001 0.000 0.193 1795 K C 0.692 177.253 176.600 -0.065 0.000 1.032 1795 K CA 0.444 56.694 56.287 -0.061 0.000 1.004 1795 K CB -0.600 31.868 32.500 -0.054 0.000 0.804 1795 K HN 0.621 nan 8.250 nan 0.000 0.496 1796 G N 1.473 110.221 108.800 -0.086 0.000 2.684 1796 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.229 1796 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.229 1796 G C 0.100 174.954 174.900 -0.076 0.000 0.927 1796 G CA -0.311 44.744 45.100 -0.076 0.000 1.147 1796 G HN 0.316 nan 8.290 nan 0.000 0.402 1797 L N 1.939 123.101 121.223 -0.102 0.000 3.503 1797 L HA 0.336 4.676 4.340 -0.001 0.000 0.327 1797 L C 0.826 177.654 176.870 -0.070 0.000 1.108 1797 L CA -0.566 54.225 54.840 -0.082 0.000 1.214 1797 L CB 0.053 42.054 42.059 -0.097 0.000 1.806 1797 L HN 0.391 nan 8.230 nan 0.000 0.610 1798 I N 4.468 124.981 120.570 -0.095 0.000 2.352 1798 I HA 0.205 4.374 4.170 -0.001 0.000 0.290 1798 I C -2.007 174.113 176.117 0.004 0.000 1.036 1798 I CA -1.851 59.429 61.300 -0.034 0.000 1.336 1798 I CB 1.057 39.046 38.000 -0.019 0.000 1.407 1798 I HN -0.109 nan 8.210 nan 0.000 0.497 1799 P HA 0.184 nan 4.420 nan 0.000 0.280 1799 P C 0.679 178.010 177.300 0.051 0.000 1.386 1799 P CA -0.193 62.925 63.100 0.028 0.000 0.899 1799 P CB 1.032 32.746 31.700 0.023 0.000 1.098 1800 A N 4.871 127.725 122.820 0.056 0.000 1.885 1800 A HA -0.261 4.058 4.320 -0.001 0.000 0.260 1800 A C 0.965 178.611 177.584 0.104 0.000 2.398 1800 A CA 2.379 54.462 52.037 0.076 0.000 0.786 1800 A CB -1.648 17.387 19.000 0.057 0.000 0.834 1800 A HN 0.682 nan 8.150 nan 0.000 0.548 1801 D N -0.539 119.912 120.400 0.084 0.000 2.428 1801 D HA 0.605 5.245 4.640 -0.001 0.000 0.221 1801 D C -0.275 176.087 176.300 0.103 0.000 1.123 1801 D CA 0.518 54.577 54.000 0.097 0.000 0.869 1801 D CB 0.845 41.683 40.800 0.062 0.000 1.032 1801 D HN 0.662 nan 8.370 nan 0.000 0.506 1802 A N 2.354 125.271 122.820 0.161 0.000 2.564 1802 A HA 0.724 5.044 4.320 -0.001 0.000 0.288 1802 A C -0.267 177.448 177.584 0.217 0.000 1.164 1802 A CA -0.838 51.275 52.037 0.126 0.000 0.712 1802 A CB 1.448 20.475 19.000 0.045 0.000 1.303 1802 A HN 0.473 nan 8.150 nan 0.000 0.418 1803 T N -0.538 114.103 114.554 0.145 0.000 2.811 1803 T HA 0.590 4.939 4.350 -0.001 0.000 0.309 1803 T C -0.876 173.944 174.700 0.201 0.000 1.005 1803 T CA -0.232 61.978 62.100 0.184 0.000 0.955 1803 T CB -0.848 68.073 68.868 0.089 0.000 0.970 1803 T HN 0.264 nan 8.240 nan 0.000 0.496 1804 F N 2.718 122.648 119.950 -0.034 0.000 2.504 1804 F HA 0.539 5.066 4.527 -0.001 0.000 0.369 1804 F C 0.882 176.653 175.800 -0.049 0.000 1.082 1804 F CA -0.858 57.109 58.000 -0.054 0.000 1.216 1804 F CB 0.184 39.140 39.000 -0.073 0.000 1.108 1804 F HN 0.869 nan 8.300 nan 0.000 0.554 1805 A N 2.133 125.005 122.820 0.087 0.000 2.435 1805 A HA 0.907 5.226 4.320 -0.001 0.000 0.304 1805 A C -0.172 177.427 177.584 0.025 0.000 1.064 1805 A CA -0.042 52.021 52.037 0.044 0.000 0.727 1805 A CB 1.459 20.469 19.000 0.018 0.000 1.284 1805 A HN 0.909 nan 8.150 nan 0.000 0.415 1806 G N -0.679 108.132 108.800 0.018 0.000 3.086 1806 G HA2 0.656 4.616 3.960 -0.001 0.000 0.282 1806 G HA3 0.656 4.616 3.960 -0.001 0.000 0.282 1806 G C -1.361 173.560 174.900 0.035 0.000 1.343 1806 G CA -0.425 44.689 45.100 0.024 0.000 0.895 1806 G HN 1.631 nan 8.290 nan 0.000 0.557 1807 H N -1.897 117.094 119.070 -0.132 0.000 3.539 1807 H HA 0.399 4.954 4.556 -0.001 0.000 0.392 1807 H C 0.352 175.532 175.328 -0.246 0.000 1.684 1807 H CA 0.972 56.860 56.048 -0.266 0.000 1.639 1807 H CB 0.764 30.402 29.762 -0.207 0.000 2.665 1807 H HN 1.405 nan 8.280 nan 0.000 0.353 1808 S N 2.793 118.019 115.700 -0.791 0.000 4.157 1808 S HA -0.351 4.119 4.470 -0.001 0.000 0.521 1808 S C 0.897 175.461 174.600 -0.060 0.000 1.858 1808 S CA 2.460 60.417 58.200 -0.406 0.000 4.242 1808 S CB -1.327 61.742 63.200 -0.218 0.000 0.300 1808 S HN 0.818 nan 8.310 nan 0.000 0.454 1809 L N 1.798 123.014 121.223 -0.012 0.000 2.577 1809 L HA 0.574 4.914 4.340 -0.001 0.000 0.225 1809 L C 2.285 179.222 176.870 0.113 0.000 1.053 1809 L CA 1.804 56.632 54.840 -0.019 0.000 0.866 1809 L CB -0.948 41.037 42.059 -0.124 0.000 1.132 1809 L HN 0.636 nan 8.230 nan 0.000 0.486 1810 G N -0.306 108.544 108.800 0.082 0.000 2.631 1810 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.221 1810 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.221 1810 G C 1.269 176.236 174.900 0.111 0.000 1.095 1810 G CA 1.122 46.277 45.100 0.091 0.000 0.727 1810 G HN 0.549 nan 8.290 nan 0.000 0.587 1811 E N -0.622 119.680 120.200 0.169 0.000 2.072 1811 E HA -0.088 4.262 4.350 -0.001 0.000 0.190 1811 E C 1.961 178.640 176.600 0.132 0.000 0.982 1811 E CA 0.693 57.157 56.400 0.107 0.000 0.803 1811 E CB -0.196 29.513 29.700 0.015 0.000 0.755 1811 E HN 0.754 nan 8.360 nan 0.000 0.453 1812 Y N 0.531 120.812 120.300 -0.030 0.000 2.333 1812 Y HA -0.068 4.481 4.550 -0.001 0.000 0.290 1812 Y C 1.951 177.815 175.900 -0.059 0.000 1.144 1812 Y CA 0.010 58.091 58.100 -0.032 0.000 1.228 1812 Y CB -0.085 38.361 38.460 -0.023 0.000 0.985 1812 Y HN -0.018 nan 8.280 nan 0.000 0.542 1813 A N 0.186 123.084 122.820 0.131 0.000 2.088 1813 A HA 0.365 4.685 4.320 -0.001 0.000 0.218 1813 A C 1.366 178.896 177.584 -0.089 0.000 1.420 1813 A CA 1.142 53.180 52.037 0.002 0.000 1.371 1813 A CB -1.186 17.822 19.000 0.012 0.000 0.788 1813 A HN 0.499 nan 8.150 nan 0.000 0.575 1814 A N -1.601 121.160 122.820 -0.099 0.000 2.731 1814 A HA 0.192 4.512 4.320 -0.001 0.000 0.140 1814 A C 1.312 178.871 177.584 -0.041 0.000 1.416 1814 A CA 0.439 52.364 52.037 -0.188 0.000 2.054 1814 A CB -0.675 18.293 19.000 -0.053 0.000 2.031 1814 A HN 0.280 nan 8.150 nan 0.000 0.920 1815 L N 0.891 122.168 121.223 0.089 0.000 2.021 1815 L HA -0.265 4.075 4.340 -0.001 0.000 0.215 1815 L C 3.036 179.910 176.870 0.006 0.000 1.074 1815 L CA 1.956 56.836 54.840 0.067 0.000 0.760 1815 L CB -0.529 41.485 42.059 -0.074 0.000 0.889 1815 L HN 0.634 nan 8.230 nan 0.000 0.433 1816 A N -0.230 122.584 122.820 -0.011 0.000 1.845 1816 A HA -0.173 4.147 4.320 -0.001 0.000 0.215 1816 A C 2.137 179.672 177.584 -0.082 0.000 1.195 1816 A CA 1.936 53.966 52.037 -0.011 0.000 0.616 1816 A CB -0.704 18.321 19.000 0.041 0.000 0.832 1816 A HN 0.541 nan 8.150 nan 0.000 0.443 1817 S N -0.349 115.229 115.700 -0.204 0.000 2.118 1817 S HA 0.365 4.834 4.470 -0.001 0.000 0.175 1817 S C 0.502 174.808 174.600 -0.490 0.000 1.365 1817 S CA -0.164 57.771 58.200 -0.443 0.000 1.837 1817 S CB -1.267 61.434 63.200 -0.831 0.000 0.537 1817 S HN 0.654 nan 8.310 nan 0.000 0.374 1818 L N 1.547 122.142 121.223 -1.046 0.000 4.355 1818 L HA -0.115 4.224 4.340 -0.001 0.000 0.532 1818 L C 0.724 177.575 176.870 -0.031 0.000 0.971 1818 L CA 0.216 54.648 54.840 -0.679 0.000 0.563 1818 L CB -1.996 39.246 42.059 -1.362 0.000 0.785 1818 L HN 1.059 nan 8.230 nan 0.000 1.040 1819 A N 2.633 125.516 122.820 0.106 0.000 1.786 1819 A HA -0.170 4.149 4.320 -0.001 0.000 0.237 1819 A C 0.759 178.409 177.584 0.111 0.000 1.309 1819 A CA 0.591 52.727 52.037 0.165 0.000 0.713 1819 A CB -1.049 18.106 19.000 0.258 0.000 1.194 1819 A HN 0.822 nan 8.150 nan 0.000 0.252 1820 D N -0.201 120.236 120.400 0.061 0.000 2.328 1820 D HA 0.149 4.788 4.640 -0.001 0.000 0.230 1820 D C 1.734 178.047 176.300 0.022 0.000 1.328 1820 D CA 1.436 55.453 54.000 0.029 0.000 0.887 1820 D CB 0.379 41.196 40.800 0.029 0.000 1.250 1820 D HN 1.355 nan 8.370 nan 0.000 0.527 1821 V N -4.240 115.677 119.914 0.005 0.000 4.290 1821 V HA 0.133 4.252 4.120 -0.001 0.000 0.159 1821 V C 0.875 176.964 176.094 -0.008 0.000 1.350 1821 V CA -0.305 61.990 62.300 -0.008 0.000 1.154 1821 V CB -0.166 31.643 31.823 -0.023 0.000 1.236 1821 V HN 0.351 nan 8.190 nan 0.000 0.608 1822 M N 1.407 121.005 119.600 -0.005 0.000 2.237 1822 M HA 0.564 5.043 4.480 -0.001 0.000 0.209 1822 M C 0.061 176.356 176.300 -0.007 0.000 1.058 1822 M CA -0.277 55.022 55.300 -0.001 0.000 1.376 1822 M CB 0.803 33.411 32.600 0.014 0.000 1.151 1822 M HN 0.269 nan 8.290 nan 0.000 0.711 1823 S N 0.364 116.055 115.700 -0.016 0.000 2.462 1823 S HA 0.365 4.834 4.470 -0.001 0.000 0.294 1823 S C 1.104 175.674 174.600 -0.049 0.000 1.144 1823 S CA -0.635 57.545 58.200 -0.032 0.000 1.088 1823 S CB 0.960 64.132 63.200 -0.046 0.000 1.009 1823 S HN 0.537 nan 8.310 nan 0.000 0.484 1824 I N 2.243 122.786 120.570 -0.046 0.000 2.113 1824 I HA -0.331 3.838 4.170 -0.001 0.000 0.242 1824 I C 2.336 178.396 176.117 -0.096 0.000 1.057 1824 I CA 1.512 62.776 61.300 -0.059 0.000 1.314 1824 I CB -0.253 37.718 38.000 -0.049 0.000 1.022 1824 I HN 0.722 nan 8.210 nan 0.000 0.408 1825 E N 0.750 120.869 120.200 -0.136 0.000 1.964 1825 E HA -0.239 4.111 4.350 -0.001 0.000 0.209 1825 E C 2.016 178.440 176.600 -0.293 0.000 0.988 1825 E CA 1.789 58.017 56.400 -0.287 0.000 0.875 1825 E CB -0.924 28.556 29.700 -0.367 0.000 0.813 1825 E HN 0.365 nan 8.360 nan 0.000 0.533 1826 S N 1.703 117.247 115.700 -0.260 0.000 2.432 1826 S HA -0.243 4.226 4.470 -0.001 0.000 0.243 1826 S C 1.920 176.495 174.600 -0.043 0.000 1.069 1826 S CA 1.545 59.663 58.200 -0.137 0.000 1.047 1826 S CB -0.638 62.528 63.200 -0.057 0.000 0.854 1826 S HN 0.317 nan 8.310 nan 0.000 0.474 1827 L N 1.719 122.924 121.223 -0.029 0.000 2.011 1827 L HA -0.163 4.177 4.340 -0.001 0.000 0.225 1827 L C 2.336 179.243 176.870 0.061 0.000 1.084 1827 L CA 2.186 57.045 54.840 0.033 0.000 0.791 1827 L CB -1.163 40.902 42.059 0.009 0.000 0.898 1827 L HN 0.231 nan 8.230 nan 0.000 0.440 1828 V N -0.472 119.468 119.914 0.043 0.000 2.358 1828 V HA -0.287 3.833 4.120 -0.001 0.000 0.246 1828 V C 2.667 178.880 176.094 0.198 0.000 1.047 1828 V CA 2.123 64.504 62.300 0.135 0.000 1.035 1828 V CB -0.396 31.568 31.823 0.235 0.000 0.658 1828 V HN 0.823 nan 8.190 nan 0.000 0.452 1829 E N -0.234 120.014 120.200 0.081 0.000 2.172 1829 E HA -0.285 4.064 4.350 -0.001 0.000 0.213 1829 E C 2.020 178.766 176.600 0.244 0.000 1.051 1829 E CA 2.826 59.289 56.400 0.106 0.000 0.860 1829 E CB -0.663 29.050 29.700 0.022 0.000 0.755 1829 E HN 0.525 nan 8.360 nan 0.000 0.462 1830 V N -1.078 118.969 119.914 0.220 0.000 2.426 1830 V HA -0.100 4.019 4.120 -0.001 0.000 0.242 1830 V C 2.201 178.431 176.094 0.227 0.000 1.036 1830 V CA 1.363 63.825 62.300 0.269 0.000 1.044 1830 V CB -0.083 31.871 31.823 0.219 0.000 0.688 1830 V HN 0.294 nan 8.190 nan 0.000 0.462 1831 V N 0.590 120.589 119.914 0.143 0.000 2.363 1831 V HA -0.312 3.807 4.120 -0.001 0.000 0.254 1831 V C 2.314 178.511 176.094 0.171 0.000 1.074 1831 V CA 2.940 65.246 62.300 0.009 0.000 1.069 1831 V CB -1.074 30.731 31.823 -0.030 0.000 0.659 1831 V HN 0.700 nan 8.190 nan 0.000 0.455 1832 F N -0.533 119.483 119.950 0.110 0.000 2.128 1832 F HA -0.102 4.424 4.527 -0.001 0.000 0.295 1832 F C 2.230 178.131 175.800 0.169 0.000 1.100 1832 F CA 1.269 59.361 58.000 0.154 0.000 1.260 1832 F CB -0.756 38.396 39.000 0.253 0.000 1.009 1832 F HN 0.212 nan 8.300 nan 0.000 0.476 1833 Y N 1.001 121.281 120.300 -0.034 0.000 2.049 1833 Y HA -0.332 4.217 4.550 -0.001 0.000 0.277 1833 Y C 2.946 178.769 175.900 -0.130 0.000 1.143 1833 Y CA 1.534 59.531 58.100 -0.172 0.000 1.115 1833 Y CB -0.366 38.059 38.460 -0.059 0.000 0.975 1833 Y HN -0.077 nan 8.280 nan 0.000 0.487 1834 R N 1.559 122.132 120.500 0.121 0.000 2.185 1834 R HA -0.172 4.167 4.340 -0.001 0.000 0.247 1834 R C 1.826 178.141 176.300 0.025 0.000 1.159 1834 R CA 1.373 57.482 56.100 0.014 0.000 0.988 1834 R CB -1.163 29.147 30.300 0.018 0.000 0.871 1834 R HN 0.562 nan 8.270 nan 0.000 0.458 1835 G N 1.116 109.943 108.800 0.045 0.000 2.866 1835 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.207 1835 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.207 1835 G C 1.598 176.494 174.900 -0.007 0.000 1.402 1835 G CA 0.981 46.109 45.100 0.047 0.000 0.830 1835 G HN 0.254 nan 8.290 nan 0.000 0.644 1836 M N 0.123 119.657 119.600 -0.110 0.000 2.190 1836 M HA -0.224 4.255 4.480 -0.001 0.000 0.252 1836 M C 2.751 179.031 176.300 -0.034 0.000 1.076 1836 M CA 2.511 57.750 55.300 -0.101 0.000 1.079 1836 M CB -1.221 31.249 32.600 -0.217 0.000 1.303 1836 M HN 0.335 nan 8.290 nan 0.000 0.412 1837 T N 0.403 114.953 114.554 -0.007 0.000 2.653 1837 T HA -0.265 4.084 4.350 -0.001 0.000 0.268 1837 T C 1.464 176.145 174.700 -0.031 0.000 1.035 1837 T CA 1.807 63.897 62.100 -0.017 0.000 1.154 1837 T CB -0.383 68.451 68.868 -0.055 0.000 0.862 1837 T HN 0.480 nan 8.240 nan 0.000 0.441 1838 M N 0.826 120.415 119.600 -0.018 0.000 2.800 1838 M HA -0.044 4.435 4.480 -0.001 0.000 0.235 1838 M C 1.682 177.968 176.300 -0.024 0.000 1.057 1838 M CA 0.868 56.159 55.300 -0.015 0.000 1.066 1838 M CB -0.002 32.608 32.600 0.016 0.000 1.558 1838 M HN 0.131 nan 8.290 nan 0.000 0.551 1839 Q N -0.896 118.886 119.800 -0.029 0.000 2.459 1839 Q HA 0.052 4.391 4.340 -0.001 0.000 0.260 1839 Q C 1.235 177.203 176.000 -0.054 0.000 0.828 1839 Q CA 0.870 56.654 55.803 -0.032 0.000 0.987 1839 Q CB 0.275 29.016 28.738 0.005 0.000 1.216 1839 Q HN 0.392 nan 8.270 nan 0.000 0.558 1840 V N -0.804 119.082 119.914 -0.047 0.000 3.499 1840 V HA 0.553 4.673 4.120 -0.001 0.000 0.308 1840 V C 1.237 177.278 176.094 -0.089 0.000 1.319 1840 V CA 0.874 63.136 62.300 -0.062 0.000 1.194 1840 V CB -0.267 31.532 31.823 -0.039 0.000 1.072 1840 V HN 0.291 nan 8.190 nan 0.000 0.426 1841 A N 0.157 122.914 122.820 -0.104 0.000 2.072 1841 A HA 0.331 4.651 4.320 -0.001 0.000 0.216 1841 A C 1.311 178.800 177.584 -0.159 0.000 1.156 1841 A CA 1.162 53.130 52.037 -0.115 0.000 0.701 1841 A CB 0.064 19.000 19.000 -0.106 0.000 0.816 1841 A HN 0.647 nan 8.150 nan 0.000 0.458 1842 V N 2.777 122.561 119.914 -0.217 0.000 2.435 1842 V HA 0.183 4.303 4.120 -0.001 0.000 0.263 1842 V C -2.528 173.426 176.094 -0.233 0.000 1.087 1842 V CA -1.513 60.599 62.300 -0.314 0.000 1.253 1842 V CB 0.406 31.846 31.823 -0.638 0.000 1.462 1842 V HN 0.335 nan 8.190 nan 0.000 0.547 1843 P HA 0.213 nan 4.420 nan 0.000 0.262 1843 P C -0.366 176.858 177.300 -0.126 0.000 1.199 1843 P CA 0.244 63.262 63.100 -0.136 0.000 0.763 1843 P CB 1.071 32.696 31.700 -0.124 0.000 0.790 1844 R N 2.648 123.072 120.500 -0.128 0.000 2.643 1844 R HA 0.266 4.606 4.340 -0.001 0.000 0.269 1844 R C -1.152 175.059 176.300 -0.149 0.000 1.037 1844 R CA -0.462 55.559 56.100 -0.132 0.000 0.894 1844 R CB 0.741 30.964 30.300 -0.128 0.000 1.238 1844 R HN 0.535 nan 8.270 nan 0.000 0.459 1845 D N 2.774 123.062 120.400 -0.188 0.000 3.478 1845 D HA -0.156 4.483 4.640 -0.001 0.000 0.219 1845 D C -0.718 175.540 176.300 -0.070 0.000 1.143 1845 D CA 0.933 54.835 54.000 -0.164 0.000 1.047 1845 D CB 0.412 41.046 40.800 -0.276 0.000 0.820 1845 D HN 0.777 nan 8.370 nan 0.000 0.393 1846 E N 1.942 122.118 120.200 -0.039 0.000 2.381 1846 E HA -0.077 4.272 4.350 -0.001 0.000 0.198 1846 E C 1.192 177.805 176.600 0.022 0.000 1.204 1846 E CA -0.101 56.286 56.400 -0.022 0.000 0.998 1846 E CB 0.419 30.101 29.700 -0.030 0.000 1.080 1846 E HN 0.438 nan 8.360 nan 0.000 0.481 1847 L N -1.142 120.097 121.223 0.027 0.000 2.670 1847 L HA 0.363 4.703 4.340 -0.001 0.000 0.177 1847 L C 0.776 177.678 176.870 0.054 0.000 1.181 1847 L CA 1.031 55.902 54.840 0.052 0.000 0.856 1847 L CB 0.986 43.084 42.059 0.065 0.000 1.205 1847 L HN 0.034 nan 8.230 nan 0.000 0.506 1848 G N 0.186 109.007 108.800 0.034 0.000 3.716 1848 G HA2 0.457 4.417 3.960 -0.001 0.000 0.243 1848 G HA3 0.457 4.417 3.960 -0.001 0.000 0.243 1848 G C -0.904 174.007 174.900 0.019 0.000 3.921 1848 G CA -0.064 45.058 45.100 0.037 0.000 0.492 1848 G HN 0.439 nan 8.290 nan 0.000 0.256 1849 R N -1.877 118.612 120.500 -0.018 0.000 3.309 1849 R HA 0.763 5.102 4.340 -0.001 0.000 0.270 1849 R C -1.485 174.760 176.300 -0.092 0.000 0.901 1849 R CA -0.521 55.559 56.100 -0.034 0.000 0.793 1849 R CB 0.213 30.504 30.300 -0.016 0.000 1.578 1849 R HN 1.031 nan 8.270 nan 0.000 0.475 1850 S N -1.401 114.247 115.700 -0.087 0.000 2.614 1850 S HA 0.266 4.735 4.470 -0.001 0.000 0.280 1850 S C -1.517 173.105 174.600 0.035 0.000 1.111 1850 S CA -0.701 57.461 58.200 -0.065 0.000 0.847 1850 S CB 1.489 64.686 63.200 -0.004 0.000 1.079 1850 S HN 0.631 nan 8.310 nan 0.000 0.452 1851 N N 1.649 120.400 118.700 0.085 0.000 2.530 1851 N HA 0.260 5.000 4.740 -0.001 0.000 0.216 1851 N C -1.143 174.301 175.510 -0.112 0.000 1.315 1851 N CA 0.598 53.653 53.050 0.008 0.000 0.858 1851 N CB -0.290 38.167 38.487 -0.051 0.000 1.138 1851 N HN 0.381 nan 8.380 nan 0.000 0.473 1852 Y N -1.556 118.706 120.300 -0.064 0.000 2.634 1852 Y HA 0.829 5.378 4.550 -0.001 0.000 0.340 1852 Y C 1.012 176.890 175.900 -0.036 0.000 1.058 1852 Y CA -0.854 57.211 58.100 -0.060 0.000 1.081 1852 Y CB 1.727 40.147 38.460 -0.067 0.000 1.295 1852 Y HN -0.027 nan 8.280 nan 0.000 0.487 1853 G N 0.201 109.085 108.800 0.141 0.000 2.553 1853 G HA2 0.462 4.422 3.960 -0.001 0.000 0.106 1853 G HA3 0.462 4.422 3.960 -0.001 0.000 0.106 1853 G C -1.274 173.649 174.900 0.039 0.000 1.126 1853 G CA -0.234 44.911 45.100 0.076 0.000 1.075 1853 G HN 0.971 nan 8.290 nan 0.000 0.472 1854 M N -0.958 118.656 119.600 0.024 0.000 3.142 1854 M HA 0.596 5.075 4.480 -0.001 0.000 0.246 1854 M C -1.401 174.914 176.300 0.025 0.000 0.834 1854 M CA -0.888 54.416 55.300 0.006 0.000 0.808 1854 M CB 0.933 33.524 32.600 -0.016 0.000 1.572 1854 M HN 1.691 nan 8.290 nan 0.000 0.580 1855 I N -0.927 119.658 120.570 0.026 0.000 3.466 1855 I HA 1.099 5.268 4.170 -0.001 0.000 0.311 1855 I C -1.427 174.730 176.117 0.066 0.000 1.155 1855 I CA -0.793 60.536 61.300 0.048 0.000 0.959 1855 I CB 2.163 40.190 38.000 0.045 0.000 1.332 1855 I HN 1.112 nan 8.210 nan 0.000 0.483 1856 A N 1.548 124.418 122.820 0.083 0.000 2.515 1856 A HA 0.945 5.265 4.320 -0.001 0.000 0.296 1856 A C -1.037 176.618 177.584 0.119 0.000 1.094 1856 A CA -0.681 51.424 52.037 0.113 0.000 0.718 1856 A CB 1.613 20.679 19.000 0.110 0.000 1.307 1856 A HN 0.734 nan 8.150 nan 0.000 0.408 1857 I N 0.114 120.783 120.570 0.165 0.000 3.004 1857 I HA 0.393 4.563 4.170 -0.001 0.000 0.305 1857 I C -1.505 174.742 176.117 0.218 0.000 1.312 1857 I CA -1.045 60.352 61.300 0.163 0.000 0.992 1857 I CB 2.830 40.917 38.000 0.145 0.000 1.282 1857 I HN 0.814 nan 8.210 nan 0.000 0.449 1858 N N 2.019 120.818 118.700 0.164 0.000 2.295 1858 N HA 0.616 5.355 4.740 -0.001 0.000 0.293 1858 N C -3.014 172.565 175.510 0.116 0.000 1.040 1858 N CA -1.730 51.413 53.050 0.156 0.000 0.840 1858 N CB 1.173 39.715 38.487 0.091 0.000 1.468 1858 N HN 0.185 nan 8.380 nan 0.000 0.478 1859 P HA 0.148 nan 4.420 nan 0.000 0.266 1859 P C 0.127 177.409 177.300 -0.030 0.000 1.186 1859 P CA 0.009 63.096 63.100 -0.021 0.000 0.767 1859 P CB 0.452 32.064 31.700 -0.147 0.000 0.820 1860 G N 2.735 111.514 108.800 -0.035 0.000 4.465 1860 G HA2 0.406 4.366 3.960 -0.001 0.000 0.330 1860 G HA3 0.406 4.366 3.960 -0.001 0.000 0.330 1860 G C -0.771 174.114 174.900 -0.024 0.000 1.475 1860 G CA -0.359 44.738 45.100 -0.005 0.000 0.955 1860 G HN 0.412 nan 8.290 nan 0.000 0.516 1861 R N -0.070 120.375 120.500 -0.092 0.000 2.116 1861 R HA -0.120 4.220 4.340 -0.001 0.000 0.361 1861 R C -0.205 175.988 176.300 -0.180 0.000 1.022 1861 R CA 0.182 56.234 56.100 -0.080 0.000 0.574 1861 R CB -2.231 28.071 30.300 0.004 0.000 1.952 1861 R HN 1.265 nan 8.270 nan 0.000 0.449 1862 V N -1.182 118.591 119.914 -0.236 0.000 3.532 1862 V HA -0.101 4.018 4.120 -0.001 0.000 0.505 1862 V C 0.636 176.243 176.094 -0.813 0.000 0.682 1862 V CA 1.528 63.646 62.300 -0.304 0.000 2.056 1862 V CB -0.768 30.994 31.823 -0.102 0.000 2.484 1862 V HN 1.229 nan 8.190 nan 0.000 0.509 1863 A N 3.188 125.608 122.820 -0.666 0.000 4.978 1863 A HA 1.169 5.489 4.320 -0.001 0.000 0.137 1863 A C 0.321 177.796 177.584 -0.181 0.000 0.956 1863 A CA 0.603 52.097 52.037 -0.906 0.000 1.577 1863 A CB 0.280 18.704 19.000 -0.959 0.000 2.444 1863 A HN 3.021 nan 8.150 nan 0.000 1.089 1864 A N -1.684 121.099 122.820 -0.063 0.000 2.425 1864 A HA 0.450 4.770 4.320 -0.001 0.000 0.682 1864 A C 1.206 178.814 177.584 0.039 0.000 0.148 1864 A CA 1.580 53.623 52.037 0.010 0.000 0.059 1864 A CB -1.926 17.069 19.000 -0.008 0.000 3.953 1864 A HN 2.792 nan 8.150 nan 0.000 0.545 1865 S N 0.969 116.662 115.700 -0.011 0.000 2.884 1865 S HA -0.332 4.138 4.470 -0.001 0.000 0.274 1865 S C 1.209 175.825 174.600 0.026 0.000 1.308 1865 S CA 2.261 60.451 58.200 -0.018 0.000 1.340 1865 S CB -1.822 61.378 63.200 0.000 0.000 1.657 1865 S HN 2.216 nan 8.310 nan 0.000 0.699 1866 F N 2.758 122.634 119.950 -0.125 0.000 2.079 1866 F HA -0.257 4.269 4.527 -0.001 0.000 0.296 1866 F C 2.241 177.992 175.800 -0.082 0.000 1.084 1866 F CA 2.793 60.742 58.000 -0.086 0.000 1.236 1866 F CB -0.759 38.193 39.000 -0.079 0.000 0.984 1866 F HN 0.645 nan 8.300 nan 0.000 0.488 1867 S N -1.736 113.934 115.700 -0.050 0.000 2.603 1867 S HA 0.083 4.552 4.470 -0.001 0.000 0.232 1867 S C 1.528 176.071 174.600 -0.096 0.000 1.016 1867 S CA 0.216 58.333 58.200 -0.138 0.000 0.976 1867 S CB -0.145 62.995 63.200 -0.100 0.000 0.921 1867 S HN 0.550 nan 8.310 nan 0.000 0.516 1868 Q N 1.421 121.171 119.800 -0.083 0.000 2.268 1868 Q HA -0.173 4.167 4.340 -0.001 0.000 0.210 1868 Q C 1.665 177.655 176.000 -0.016 0.000 0.988 1868 Q CA 2.159 57.932 55.803 -0.050 0.000 0.883 1868 Q CB -0.077 28.643 28.738 -0.029 0.000 0.911 1868 Q HN 0.784 nan 8.270 nan 0.000 0.430 1869 E N -1.990 118.188 120.200 -0.037 0.000 2.421 1869 E HA 0.163 4.513 4.350 -0.001 0.000 0.209 1869 E C 1.608 178.184 176.600 -0.039 0.000 0.871 1869 E CA 0.398 56.802 56.400 0.007 0.000 1.064 1869 E CB 0.230 29.904 29.700 -0.043 0.000 1.075 1869 E HN 0.372 nan 8.360 nan 0.000 0.513 1870 A N 1.432 124.164 122.820 -0.146 0.000 2.131 1870 A HA -0.154 4.165 4.320 -0.001 0.000 0.220 1870 A C 2.019 179.579 177.584 -0.041 0.000 1.158 1870 A CA 1.033 52.974 52.037 -0.160 0.000 0.665 1870 A CB -0.361 18.482 19.000 -0.261 0.000 0.795 1870 A HN 0.302 nan 8.150 nan 0.000 0.460 1871 L N -1.882 119.331 121.223 -0.016 0.000 2.265 1871 L HA 0.072 4.412 4.340 -0.001 0.000 0.195 1871 L C 2.286 179.190 176.870 0.057 0.000 1.083 1871 L CA 1.211 56.058 54.840 0.010 0.000 0.798 1871 L CB -0.411 41.641 42.059 -0.012 0.000 0.989 1871 L HN 0.385 nan 8.230 nan 0.000 0.472 1872 Q N -0.971 118.875 119.800 0.075 0.000 2.576 1872 Q HA -0.213 4.126 4.340 -0.001 0.000 0.218 1872 Q C 0.515 176.625 176.000 0.183 0.000 0.983 1872 Q CA 1.169 57.035 55.803 0.105 0.000 0.920 1872 Q CB 0.023 28.826 28.738 0.109 0.000 0.973 1872 Q HN 0.627 nan 8.270 nan 0.000 0.528 1873 Y N -2.325 117.958 120.300 -0.028 0.000 2.531 1873 Y HA 0.126 4.675 4.550 -0.001 0.000 0.249 1873 Y C 1.019 176.907 175.900 -0.020 0.000 1.168 1873 Y CA -0.204 57.882 58.100 -0.025 0.000 1.226 1873 Y CB 1.195 39.634 38.460 -0.034 0.000 1.177 1873 Y HN -0.016 nan 8.280 nan 0.000 0.527 1874 V N -2.538 117.429 119.914 0.088 0.000 3.379 1874 V HA -0.040 4.079 4.120 -0.001 0.000 0.249 1874 V C 1.761 177.870 176.094 0.026 0.000 1.184 1874 V CA 0.759 63.090 62.300 0.052 0.000 1.106 1874 V CB -0.017 31.833 31.823 0.046 0.000 0.826 1874 V HN 0.027 nan 8.190 nan 0.000 0.465 1875 V N 0.851 120.772 119.914 0.011 0.000 2.913 1875 V HA -0.199 3.921 4.120 -0.001 0.000 0.260 1875 V C 2.284 178.365 176.094 -0.021 0.000 1.098 1875 V CA 2.020 64.316 62.300 -0.006 0.000 1.121 1875 V CB -0.715 31.102 31.823 -0.011 0.000 0.714 1875 V HN 0.706 nan 8.190 nan 0.000 0.487 1876 E N 0.330 120.502 120.200 -0.048 0.000 2.418 1876 E HA -0.167 4.182 4.350 -0.001 0.000 0.197 1876 E C 2.005 178.575 176.600 -0.050 0.000 1.026 1876 E CA 0.606 56.955 56.400 -0.084 0.000 0.862 1876 E CB 0.208 29.799 29.700 -0.182 0.000 0.799 1876 E HN 0.408 nan 8.360 nan 0.000 0.518 1877 R N -1.163 119.328 120.500 -0.014 0.000 2.539 1877 R HA 0.103 4.443 4.340 -0.001 0.000 0.342 1877 R C 0.702 177.035 176.300 0.055 0.000 0.941 1877 R CA 0.764 56.868 56.100 0.007 0.000 1.146 1877 R CB 1.088 31.388 30.300 -0.000 0.000 1.541 1877 R HN 0.163 nan 8.270 nan 0.000 0.525 1878 V N -6.095 113.867 119.914 0.081 0.000 5.003 1878 V HA 0.705 4.824 4.120 -0.001 0.000 0.132 1878 V C 0.300 176.436 176.094 0.071 0.000 1.227 1878 V CA 0.271 62.679 62.300 0.180 0.000 1.094 1878 V CB 0.554 32.606 31.823 0.381 0.000 1.358 1878 V HN 0.050 nan 8.190 nan 0.000 0.637 1879 G N 1.370 110.162 108.800 -0.014 0.000 2.163 1879 G HA2 0.552 4.511 3.960 -0.001 0.000 0.191 1879 G HA3 0.552 4.511 3.960 -0.001 0.000 0.191 1879 G C -1.107 173.716 174.900 -0.128 0.000 1.517 1879 G CA -0.028 45.026 45.100 -0.076 0.000 1.024 1879 G HN 1.381 nan 8.290 nan 0.000 0.664 1880 K N 0.665 121.016 120.400 -0.083 0.000 2.801 1880 K HA 0.659 4.979 4.320 -0.001 0.000 0.287 1880 K C -1.283 175.286 176.600 -0.052 0.000 1.084 1880 K CA -1.293 54.942 56.287 -0.085 0.000 0.901 1880 K CB 1.011 33.449 32.500 -0.104 0.000 1.405 1880 K HN 0.508 nan 8.250 nan 0.000 0.378 1881 R N 0.456 120.922 120.500 -0.056 0.000 2.930 1881 R HA 0.538 4.878 4.340 -0.001 0.000 0.257 1881 R C -0.720 175.551 176.300 -0.049 0.000 1.107 1881 R CA -0.648 55.427 56.100 -0.042 0.000 0.999 1881 R CB 1.744 32.018 30.300 -0.043 0.000 1.209 1881 R HN 0.915 nan 8.270 nan 0.000 0.486 1882 T N -1.336 113.201 114.554 -0.028 0.000 2.749 1882 T HA 0.338 4.687 4.350 -0.001 0.000 0.295 1882 T C 1.196 175.865 174.700 -0.052 0.000 0.936 1882 T CA -0.338 61.756 62.100 -0.011 0.000 1.060 1882 T CB 1.313 70.202 68.868 0.036 0.000 0.904 1882 T HN 0.579 nan 8.240 nan 0.000 0.500 1883 G N 2.652 111.380 108.800 -0.120 0.000 2.529 1883 G HA2 0.155 4.114 3.960 -0.001 0.000 0.167 1883 G HA3 0.155 4.114 3.960 -0.001 0.000 0.167 1883 G C -0.268 174.512 174.900 -0.200 0.000 1.615 1883 G CA -0.470 44.414 45.100 -0.361 0.000 0.885 1883 G HN 0.830 nan 8.290 nan 0.000 0.394 1884 W N -1.013 120.344 121.300 0.095 0.000 2.509 1884 W HA 0.665 5.324 4.660 -0.001 0.000 0.351 1884 W C -0.212 176.394 176.519 0.145 0.000 1.107 1884 W CA -0.994 56.412 57.345 0.102 0.000 1.264 1884 W CB 1.300 30.831 29.460 0.118 0.000 1.312 1884 W HN -0.042 nan 8.180 nan 0.000 0.608 1885 L N 3.317 124.769 121.223 0.382 0.000 2.556 1885 L HA 0.112 4.451 4.340 -0.001 0.000 0.243 1885 L C 1.189 178.081 176.870 0.037 0.000 1.331 1885 L CA -0.452 54.558 54.840 0.284 0.000 0.927 1885 L CB 0.190 42.507 42.059 0.431 0.000 1.219 1885 L HN 0.582 nan 8.230 nan 0.000 0.490 1886 V N -2.058 117.853 119.914 -0.005 0.000 2.324 1886 V HA -0.097 4.022 4.120 -0.001 0.000 0.250 1886 V C 0.630 176.608 176.094 -0.193 0.000 1.060 1886 V CA 1.676 63.936 62.300 -0.067 0.000 1.042 1886 V CB -0.316 31.482 31.823 -0.041 0.000 0.650 1886 V HN 0.696 nan 8.190 nan 0.000 0.450 1887 E N -2.274 117.659 120.200 -0.446 0.000 2.388 1887 E HA 0.334 4.683 4.350 -0.001 0.000 0.281 1887 E C 0.044 176.247 176.600 -0.661 0.000 1.046 1887 E CA -0.054 56.101 56.400 -0.409 0.000 0.825 1887 E CB 0.931 30.513 29.700 -0.196 0.000 1.243 1887 E HN 0.141 nan 8.360 nan 0.000 0.438 1888 I N 1.770 122.222 120.570 -0.198 0.000 2.227 1888 I HA -0.226 3.944 4.170 -0.001 0.000 0.250 1888 I C 0.485 176.749 176.117 0.244 0.000 1.087 1888 I CA 1.621 63.024 61.300 0.172 0.000 1.352 1888 I CB 0.266 38.339 38.000 0.122 0.000 1.043 1888 I HN 0.340 nan 8.210 nan 0.000 0.425 1889 V N 1.975 121.908 119.914 0.031 0.000 2.993 1889 V HA 0.290 4.409 4.120 -0.001 0.000 0.377 1889 V C -0.249 175.856 176.094 0.019 0.000 1.318 1889 V CA -0.189 62.146 62.300 0.058 0.000 1.312 1889 V CB -0.891 30.942 31.823 0.016 0.000 1.342 1889 V HN 0.548 nan 8.190 nan 0.000 0.544 1890 N N 1.029 119.696 118.700 -0.056 0.000 4.296 1890 N HA 0.130 4.869 4.740 -0.001 0.000 0.183 1890 N C -2.118 173.231 175.510 -0.268 0.000 1.159 1890 N CA -0.201 52.804 53.050 -0.074 0.000 0.980 1890 N CB 1.080 39.511 38.487 -0.095 0.000 1.621 1890 N HN 0.185 nan 8.380 nan 0.000 0.861 1891 Y N 0.989 121.338 120.300 0.080 0.000 2.442 1891 Y HA 0.433 4.982 4.550 -0.001 0.000 0.344 1891 Y C 0.417 176.374 175.900 0.095 0.000 0.976 1891 Y CA -0.858 57.300 58.100 0.096 0.000 1.040 1891 Y CB 1.507 40.019 38.460 0.086 0.000 1.228 1891 Y HN 0.282 nan 8.280 nan 0.000 0.451 1892 N N 2.481 121.336 118.700 0.259 0.000 2.420 1892 N HA 0.190 4.929 4.740 -0.001 0.000 0.262 1892 N C -1.094 174.468 175.510 0.085 0.000 1.144 1892 N CA -0.045 53.107 53.050 0.169 0.000 0.952 1892 N CB 1.514 40.127 38.487 0.211 0.000 1.081 1892 N HN 0.268 nan 8.380 nan 0.000 0.480 1893 V N 3.377 123.321 119.914 0.050 0.000 2.348 1893 V HA 0.100 4.219 4.120 -0.001 0.000 0.270 1893 V C 0.888 176.949 176.094 -0.055 0.000 1.037 1893 V CA -0.764 61.539 62.300 0.005 0.000 0.872 1893 V CB 0.871 32.710 31.823 0.026 0.000 1.002 1893 V HN 0.485 nan 8.190 nan 0.000 0.464 1894 E N 3.368 123.504 120.200 -0.106 0.000 2.563 1894 E HA 0.170 4.519 4.350 -0.001 0.000 0.260 1894 E C -0.246 176.305 176.600 -0.082 0.000 1.391 1894 E CA 0.084 56.406 56.400 -0.130 0.000 1.079 1894 E CB 0.476 30.087 29.700 -0.148 0.000 0.984 1894 E HN 0.640 nan 8.360 nan 0.000 0.563 1895 N N -0.074 118.582 118.700 -0.073 0.000 2.636 1895 N HA 0.055 4.794 4.740 -0.001 0.000 0.261 1895 N C -1.883 173.493 175.510 -0.224 0.000 1.195 1895 N CA -0.368 52.617 53.050 -0.108 0.000 0.902 1895 N CB 1.779 40.224 38.487 -0.069 0.000 1.627 1895 N HN 0.212 nan 8.380 nan 0.000 0.491 1896 Q N 2.659 122.248 119.800 -0.351 0.000 3.429 1896 Q HA 0.239 4.578 4.340 -0.001 0.000 0.237 1896 Q C 0.466 176.126 176.000 -0.567 0.000 0.932 1896 Q CA -0.205 55.223 55.803 -0.624 0.000 0.731 1896 Q CB 0.580 28.968 28.738 -0.584 0.000 1.383 1896 Q HN 0.658 nan 8.270 nan 0.000 0.446 1897 Q N 1.541 121.096 119.800 -0.410 0.000 2.778 1897 Q HA -0.378 3.961 4.340 -0.001 0.000 0.431 1897 Q C 0.585 176.525 176.000 -0.100 0.000 0.625 1897 Q CA 3.339 59.028 55.803 -0.190 0.000 1.030 1897 Q CB -1.566 27.110 28.738 -0.103 0.000 1.361 1897 Q HN 0.880 nan 8.270 nan 0.000 1.036 1898 Y N -0.857 119.413 120.300 -0.051 0.000 2.736 1898 Y HA 0.167 4.716 4.550 -0.001 0.000 0.298 1898 Y C 1.783 177.664 175.900 -0.032 0.000 1.156 1898 Y CA 0.759 58.843 58.100 -0.026 0.000 1.384 1898 Y CB -0.681 37.765 38.460 -0.023 0.000 0.976 1898 Y HN 0.118 nan 8.280 nan 0.000 0.556 1899 V N 0.141 119.980 119.914 -0.124 0.000 2.535 1899 V HA -0.106 4.013 4.120 -0.001 0.000 0.246 1899 V C 2.504 178.588 176.094 -0.017 0.000 1.045 1899 V CA 1.228 63.474 62.300 -0.089 0.000 1.058 1899 V CB -0.633 31.071 31.823 -0.199 0.000 0.689 1899 V HN 0.644 nan 8.190 nan 0.000 0.461 1900 A N 0.185 122.996 122.820 -0.016 0.000 1.858 1900 A HA 0.082 4.401 4.320 -0.001 0.000 0.215 1900 A C 2.358 179.966 177.584 0.039 0.000 1.320 1900 A CA 1.391 53.435 52.037 0.011 0.000 0.601 1900 A CB -1.262 17.745 19.000 0.011 0.000 0.976 1900 A HN 0.533 nan 8.150 nan 0.000 0.470 1901 A N -0.866 121.987 122.820 0.055 0.000 2.139 1901 A HA 0.084 4.403 4.320 -0.001 0.000 0.221 1901 A C 2.105 179.730 177.584 0.067 0.000 1.159 1901 A CA 2.060 54.135 52.037 0.063 0.000 0.662 1901 A CB -1.094 17.952 19.000 0.077 0.000 0.796 1901 A HN 0.818 nan 8.150 nan 0.000 0.463 1902 G N -0.724 108.127 108.800 0.085 0.000 2.441 1902 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.212 1902 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.212 1902 G C 1.372 176.311 174.900 0.064 0.000 1.164 1902 G CA 1.068 46.225 45.100 0.094 0.000 0.811 1902 G HN 0.588 nan 8.290 nan 0.000 0.535 1903 D N 0.806 121.237 120.400 0.051 0.000 2.144 1903 D HA -0.043 4.596 4.640 -0.001 0.000 0.207 1903 D C 2.603 178.919 176.300 0.027 0.000 0.970 1903 D CA 0.259 54.278 54.000 0.033 0.000 0.853 1903 D CB -0.289 40.523 40.800 0.020 0.000 1.007 1903 D HN 0.220 nan 8.370 nan 0.000 0.469 1904 L N 0.550 121.791 121.223 0.031 0.000 2.125 1904 L HA -0.332 4.007 4.340 -0.001 0.000 0.234 1904 L C 2.858 179.746 176.870 0.030 0.000 1.110 1904 L CA 2.176 57.036 54.840 0.033 0.000 0.832 1904 L CB -0.771 41.310 42.059 0.036 0.000 0.922 1904 L HN 0.142 nan 8.230 nan 0.000 0.449 1905 R N -0.187 120.330 120.500 0.028 0.000 2.103 1905 R HA -0.181 4.159 4.340 -0.001 0.000 0.242 1905 R C 2.174 178.484 176.300 0.018 0.000 1.142 1905 R CA 1.623 57.737 56.100 0.023 0.000 0.960 1905 R CB -1.562 28.750 30.300 0.021 0.000 0.858 1905 R HN 0.531 nan 8.270 nan 0.000 0.439 1906 A N 2.546 125.373 122.820 0.013 0.000 1.852 1906 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 1906 A C 2.479 180.060 177.584 -0.004 0.000 1.215 1906 A CA 2.329 54.365 52.037 -0.002 0.000 0.641 1906 A CB -1.005 17.989 19.000 -0.009 0.000 0.838 1906 A HN 0.343 nan 8.150 nan 0.000 0.450 1907 L N -1.657 119.569 121.223 0.004 0.000 2.079 1907 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 1907 L C 2.171 179.072 176.870 0.051 0.000 1.081 1907 L CA 1.984 56.840 54.840 0.028 0.000 0.752 1907 L CB -1.005 41.085 42.059 0.053 0.000 0.896 1907 L HN 0.360 nan 8.230 nan 0.000 0.433 1908 D N 0.125 120.549 120.400 0.041 0.000 2.309 1908 D HA -0.128 4.512 4.640 -0.001 0.000 0.212 1908 D C 1.775 178.097 176.300 0.036 0.000 0.968 1908 D CA 1.495 55.520 54.000 0.042 0.000 0.882 1908 D CB 0.301 41.121 40.800 0.035 0.000 0.918 1908 D HN 0.431 nan 8.370 nan 0.000 0.503 1909 T N -0.712 113.859 114.554 0.028 0.000 3.021 1909 T HA 0.001 4.350 4.350 -0.001 0.000 0.245 1909 T C 2.192 176.909 174.700 0.028 0.000 1.028 1909 T CA 0.214 62.327 62.100 0.022 0.000 1.139 1909 T CB 0.129 69.003 68.868 0.010 0.000 0.884 1909 T HN -0.056 nan 8.240 nan 0.000 0.457 1910 V N 1.932 121.864 119.914 0.030 0.000 2.370 1910 V HA -0.221 3.899 4.120 -0.001 0.000 0.252 1910 V C 2.689 178.832 176.094 0.081 0.000 1.068 1910 V CA 2.099 64.428 62.300 0.047 0.000 1.061 1910 V CB -1.147 30.705 31.823 0.048 0.000 0.656 1910 V HN 0.506 nan 8.190 nan 0.000 0.455 1911 T N 0.121 114.725 114.554 0.084 0.000 3.139 1911 T HA -0.087 4.262 4.350 -0.001 0.000 0.267 1911 T C 1.074 175.808 174.700 0.055 0.000 1.164 1911 T CA 0.554 62.702 62.100 0.081 0.000 1.075 1911 T CB -0.750 68.162 68.868 0.073 0.000 0.904 1911 T HN 0.504 nan 8.240 nan 0.000 0.540 1912 N N 2.457 121.184 118.700 0.045 0.000 2.683 1912 N HA 0.102 4.841 4.740 -0.001 0.000 0.256 1912 N C 0.324 175.854 175.510 0.033 0.000 1.270 1912 N CA 0.373 53.443 53.050 0.033 0.000 0.954 1912 N CB -0.246 38.255 38.487 0.024 0.000 1.289 1912 N HN 0.470 nan 8.380 nan 0.000 0.508 1913 V N -2.587 117.352 119.914 0.042 0.000 6.104 1913 V HA -0.249 3.870 4.120 -0.001 0.000 0.260 1913 V C -0.816 175.304 176.094 0.043 0.000 0.610 1913 V CA 0.272 62.596 62.300 0.041 0.000 0.645 1913 V CB -2.262 29.579 31.823 0.030 0.000 0.494 1913 V HN 0.156 nan 8.190 nan 0.000 0.545 1914 L N 3.192 124.451 121.223 0.060 0.000 2.529 1914 L HA 0.679 5.019 4.340 -0.001 0.000 0.260 1914 L C 0.508 177.434 176.870 0.093 0.000 0.997 1914 L CA -0.086 54.787 54.840 0.055 0.000 0.885 1914 L CB 1.388 43.466 42.059 0.032 0.000 1.185 1914 L HN 0.657 nan 8.230 nan 0.000 0.442 1915 N N 2.723 121.482 118.700 0.098 0.000 2.168 1915 N HA 0.121 4.861 4.740 -0.001 0.000 0.241 1915 N C -0.844 174.801 175.510 0.225 0.000 1.239 1915 N CA 0.855 53.998 53.050 0.155 0.000 0.906 1915 N CB -0.003 38.557 38.487 0.122 0.000 0.948 1915 N HN 0.394 nan 8.380 nan 0.000 0.399 1916 F N 0.042 120.031 119.950 0.066 0.000 2.671 1916 F HA 0.505 5.031 4.527 -0.001 0.000 0.332 1916 F C -1.033 174.786 175.800 0.032 0.000 1.189 1916 F CA -0.553 57.482 58.000 0.058 0.000 0.988 1916 F CB 0.495 39.549 39.000 0.089 0.000 1.258 1916 F HN 0.161 nan 8.300 nan 0.000 0.471 1917 I N 2.196 122.729 120.570 -0.061 0.000 4.117 1917 I HA 0.271 4.440 4.170 -0.001 0.000 0.258 1917 I C 0.349 176.386 176.117 -0.132 0.000 1.024 1917 I CA -0.785 60.521 61.300 0.010 0.000 1.482 1917 I CB -0.221 37.793 38.000 0.023 0.000 1.147 1917 I HN 0.285 nan 8.210 nan 0.000 0.382 1918 K N 0.771 121.130 120.400 -0.069 0.000 2.458 1918 K HA -0.207 4.112 4.320 -0.001 0.000 0.146 1918 K C -0.129 176.428 176.600 -0.072 0.000 1.423 1918 K CA 0.940 57.184 56.287 -0.070 0.000 0.757 1918 K CB -1.275 31.175 32.500 -0.084 0.000 0.547 1918 K HN 0.620 nan 8.250 nan 0.000 1.002 1919 L N 2.087 123.270 121.223 -0.068 0.000 2.278 1919 L HA 0.084 4.424 4.340 -0.001 0.000 0.287 1919 L C 0.692 177.520 176.870 -0.071 0.000 1.072 1919 L CA -0.129 54.681 54.840 -0.051 0.000 0.819 1919 L CB 0.481 42.520 42.059 -0.034 0.000 1.176 1919 L HN 0.328 nan 8.230 nan 0.000 0.435 1920 Q N 3.956 123.723 119.800 -0.054 0.000 2.272 1920 Q HA 0.352 4.691 4.340 -0.001 0.000 0.192 1920 Q C 0.106 176.093 176.000 -0.021 0.000 1.059 1920 Q CA -0.208 55.563 55.803 -0.055 0.000 1.084 1920 Q CB 0.906 29.633 28.738 -0.019 0.000 1.139 1920 Q HN 0.725 nan 8.270 nan 0.000 0.593 1921 K N -1.173 119.225 120.400 -0.004 0.000 10.370 1921 K HA -0.229 4.090 4.320 -0.001 0.000 0.516 1921 K C 0.165 176.783 176.600 0.030 0.000 0.421 1921 K CA 1.439 57.742 56.287 0.028 0.000 1.936 1921 K CB -1.463 31.051 32.500 0.024 0.000 0.739 1921 K HN 0.494 nan 8.250 nan 0.000 1.154 1922 I N 3.576 124.151 120.570 0.008 0.000 2.553 1922 I HA 0.016 4.185 4.170 -0.001 0.000 0.295 1922 I C -0.096 176.017 176.117 -0.007 0.000 1.128 1922 I CA 0.512 61.815 61.300 0.006 0.000 2.128 1922 I CB -0.779 37.219 38.000 -0.003 0.000 1.543 1922 I HN 0.262 nan 8.210 nan 0.000 0.970 1923 D N 3.162 123.564 120.400 0.004 0.000 3.236 1923 D HA 0.480 5.120 4.640 -0.001 0.000 0.325 1923 D C 0.452 176.763 176.300 0.018 0.000 1.352 1923 D CA -0.565 53.423 54.000 -0.020 0.000 0.979 1923 D CB 1.341 42.096 40.800 -0.076 0.000 1.410 1923 D HN -0.160 nan 8.370 nan 0.000 0.588 1924 I N -0.385 120.175 120.570 -0.018 0.000 7.371 1924 I HA -0.381 3.788 4.170 -0.001 0.000 0.126 1924 I C 1.442 177.605 176.117 0.075 0.000 1.532 1924 I CA 0.749 62.060 61.300 0.019 0.000 2.388 1924 I CB -1.103 36.916 38.000 0.031 0.000 3.069 1924 I HN 0.896 nan 8.210 nan 0.000 0.264 1925 I N -1.642 118.994 120.570 0.110 0.000 3.751 1925 I HA -0.362 3.807 4.170 -0.001 0.000 0.238 1925 I C 1.633 177.768 176.117 0.030 0.000 0.999 1925 I CA 1.544 62.888 61.300 0.073 0.000 1.408 1925 I CB -1.353 36.684 38.000 0.062 0.000 1.581 1925 I HN 0.631 nan 8.210 nan 0.000 0.352 1926 E N 1.405 121.616 120.200 0.018 0.000 2.016 1926 E HA 0.015 4.365 4.350 -0.001 0.000 0.200 1926 E C 1.831 178.431 176.600 -0.001 0.000 0.949 1926 E CA 0.755 57.156 56.400 0.002 0.000 0.879 1926 E CB -0.102 29.592 29.700 -0.010 0.000 0.846 1926 E HN 0.462 nan 8.360 nan 0.000 0.507 1927 L N 1.532 122.751 121.223 -0.006 0.000 2.549 1927 L HA -0.155 4.185 4.340 -0.001 0.000 0.229 1927 L C 2.536 179.407 176.870 0.002 0.000 1.158 1927 L CA 0.336 55.173 54.840 -0.004 0.000 0.842 1927 L CB -0.243 41.811 42.059 -0.008 0.000 0.952 1927 L HN 0.266 nan 8.230 nan 0.000 0.452 1928 Q N 0.456 120.260 119.800 0.007 0.000 1.856 1928 Q HA -0.193 4.146 4.340 -0.001 0.000 0.233 1928 Q C 1.815 177.823 176.000 0.013 0.000 0.995 1928 Q CA 1.293 57.106 55.803 0.017 0.000 0.877 1928 Q CB -0.225 28.534 28.738 0.034 0.000 0.937 1928 Q HN 0.289 nan 8.270 nan 0.000 0.423 1929 K N 0.897 121.303 120.400 0.009 0.000 2.589 1929 K HA -0.049 4.270 4.320 -0.001 0.000 0.195 1929 K C 1.843 178.438 176.600 -0.008 0.000 1.040 1929 K CA 0.395 56.680 56.287 -0.002 0.000 0.950 1929 K CB -0.323 32.173 32.500 -0.006 0.000 0.781 1929 K HN 0.138 nan 8.250 nan 0.000 0.486 1930 S N 0.838 116.536 115.700 -0.004 0.000 2.317 1930 S HA 0.031 4.500 4.470 -0.001 0.000 0.212 1930 S C 1.645 176.241 174.600 -0.006 0.000 1.030 1930 S CA 0.412 58.609 58.200 -0.006 0.000 0.970 1930 S CB 0.072 63.270 63.200 -0.004 0.000 0.928 1930 S HN 0.286 nan 8.310 nan 0.000 0.451 1931 L N 1.303 122.526 121.223 -0.000 0.000 2.607 1931 L HA 0.252 4.591 4.340 -0.001 0.000 0.228 1931 L C 2.453 179.326 176.870 0.006 0.000 1.123 1931 L CA 0.411 55.252 54.840 0.003 0.000 0.890 1931 L CB -0.255 41.809 42.059 0.008 0.000 1.103 1931 L HN 0.384 nan 8.230 nan 0.000 0.468 1932 S N 1.025 116.729 115.700 0.006 0.000 2.345 1932 S HA -0.020 4.449 4.470 -0.001 0.000 0.219 1932 S C 1.642 176.225 174.600 -0.027 0.000 1.031 1932 S CA 0.832 59.041 58.200 0.015 0.000 0.984 1932 S CB -0.066 63.150 63.200 0.027 0.000 0.874 1932 S HN 0.403 nan 8.310 nan 0.000 0.451 1933 L N 1.379 122.573 121.223 -0.048 0.000 2.660 1933 L HA 0.243 4.583 4.340 -0.001 0.000 0.238 1933 L C 2.161 178.991 176.870 -0.067 0.000 1.161 1933 L CA 0.401 55.188 54.840 -0.088 0.000 0.937 1933 L CB -0.219 41.794 42.059 -0.076 0.000 1.122 1933 L HN 0.532 nan 8.230 nan 0.000 0.435 1934 E N -0.144 120.032 120.200 -0.041 0.000 2.244 1934 E HA -0.076 4.273 4.350 -0.001 0.000 0.196 1934 E C 1.445 178.035 176.600 -0.017 0.000 0.939 1934 E CA 0.219 56.603 56.400 -0.026 0.000 0.884 1934 E CB 0.561 30.254 29.700 -0.012 0.000 0.850 1934 E HN 0.317 nan 8.360 nan 0.000 0.481 1935 E N 0.544 120.741 120.200 -0.006 0.000 2.251 1935 E HA -0.038 4.311 4.350 -0.001 0.000 0.194 1935 E C 1.994 178.602 176.600 0.014 0.000 0.964 1935 E CA 0.366 56.777 56.400 0.018 0.000 0.868 1935 E CB 0.038 29.763 29.700 0.042 0.000 0.828 1935 E HN 0.152 nan 8.360 nan 0.000 0.481 1936 V N 1.416 121.308 119.914 -0.035 0.000 2.982 1936 V HA -0.196 3.924 4.120 -0.001 0.000 0.265 1936 V C 1.459 177.484 176.094 -0.114 0.000 1.122 1936 V CA 2.092 64.322 62.300 -0.117 0.000 1.143 1936 V CB -0.124 31.406 31.823 -0.488 0.000 0.726 1936 V HN 0.187 nan 8.190 nan 0.000 0.507 1937 E N -1.286 118.868 120.200 -0.076 0.000 2.630 1937 E HA 0.226 4.576 4.350 -0.001 0.000 0.218 1937 E C 1.759 178.350 176.600 -0.015 0.000 0.977 1937 E CA 0.504 56.867 56.400 -0.063 0.000 1.038 1937 E CB 0.298 29.954 29.700 -0.074 0.000 1.051 1937 E HN 0.582 nan 8.360 nan 0.000 0.487 1938 G N 0.190 109.000 108.800 0.016 0.000 2.956 1938 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.207 1938 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.207 1938 G C 0.315 175.288 174.900 0.122 0.000 1.162 1938 G CA 0.844 45.973 45.100 0.047 0.000 0.796 1938 G HN 0.318 nan 8.290 nan 0.000 0.527 1939 H N -2.458 116.590 119.070 -0.037 0.000 3.033 1939 H HA 0.177 4.733 4.556 -0.001 0.000 0.243 1939 H C 0.051 175.319 175.328 -0.100 0.000 1.543 1939 H CA -0.484 55.529 56.048 -0.058 0.000 1.216 1939 H CB -0.343 29.401 29.762 -0.030 0.000 1.858 1939 H HN -0.166 nan 8.280 nan 0.000 0.738 1940 L N -0.946 119.514 121.223 -1.272 0.000 2.675 1940 L HA 0.418 4.757 4.340 -0.001 0.000 0.178 1940 L C 0.181 176.632 176.870 -0.698 0.000 1.135 1940 L CA 0.289 54.499 54.840 -1.050 0.000 0.855 1940 L CB 0.547 41.798 42.059 -1.347 0.000 1.235 1940 L HN 0.307 nan 8.230 nan 0.000 0.499 2051 ? N 0.000 9999.130 9999.000 0.213 0.000 0.000 2051 ? HA 0.000 9999.000 9999.000 -0.001 0.000 0.000 2051 ? CA 0.000 9999.180 9999.000 0.293 0.000 0.000 2051 ? CB 0.000 9999.040 9999.000 0.069 0.000 0.000 2051 ? HN 0.000 nan 9999.000 nan 0.000 0.000