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 1ihu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQFLQNIPPY LFFTGKGGVG KTSISCATAI RLAEQGKRVL LVSTDPASNV DATA SEQUENCE GQVFSQTIGN TIQAIASVPG LSALEIDPQA AAQQYRARIV DPIKGVLPDD DATA SEQUENCE VVSSINEQLS GACTTEIAAF DEFTGLLTDA SLLTRFDHII FDTAPTGHTI DATA SEQUENCE RLLQLPGAWS SFIXXXXXXA SCLGPMAGLE KQREQYAYAV EALSDPKRTR DATA SEQUENCE LVLVARLQKS TLQEVARTHL ELAAIGLKNQ YLVINGVLPK TEAANDTLAA DATA SEQUENCE AIWEREQEAL ANLPADLAGL PTDTLFLQPV NMVGVSALSR LLSTQPXXXX DATA SEQUENCE XXXXXXXQRP DIPSLSALVD DIARNEHGLI MLMGKGGVGK TTMAAAIAVR DATA SEQUENCE LADMGFDVHL TTSDPAXXXX XXXXXXXNNL QVSRIDPHEE TERYRQHVLE DATA SEQUENCE TKGKELDEAG KRLLEEDLRS PCTEEIAVFQ AFSRVIREAG KRFVVMDTAP DATA SEQUENCE TGHTLLLLDA TXXXXXXXXX XXXXXXXXXT PMMLLQDPER TKVLLVTLPE DATA SEQUENCE TTPVLEAANL QADLERAGIH PWGWIINNSL SIADTRSPLL RMRAQQELPQ DATA SEQUENCE IESVKRQHAS RVALVPVLAS EPTGIDKLKQ LAGHHH 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 0.000 176.245 176.300 -0.092 0.000 1.140 1 M CA 0.000 55.257 55.300 -0.071 0.000 0.988 1 M CB 0.000 32.471 32.600 -0.215 0.000 1.302 2 Q N 1.007 120.853 119.800 0.076 0.000 2.124 2 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 2 Q C 1.478 177.558 176.000 0.133 0.000 0.977 2 Q CA 2.071 57.964 55.803 0.151 0.000 0.850 2 Q CB -0.194 28.703 28.738 0.264 0.000 0.901 2 Q HN 0.721 nan 8.270 nan 0.000 0.429 3 F N -0.966 119.012 119.950 0.047 0.000 2.451 3 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 3 F C 1.345 176.975 175.800 -0.284 0.000 1.101 3 F CA 0.426 58.253 58.000 -0.289 0.000 1.436 3 F CB -0.069 38.863 39.000 -0.114 0.000 1.074 3 F HN -0.045 nan 8.300 nan 0.000 0.553 4 L N 0.549 121.257 121.223 -0.857 0.000 2.558 4 L HA 0.159 4.499 4.340 -0.000 0.000 0.225 4 L C 0.512 177.182 176.870 -0.334 0.000 1.128 4 L CA 0.450 54.885 54.840 -0.676 0.000 0.868 4 L CB -1.093 40.544 42.059 -0.704 0.000 1.006 4 L HN 0.197 nan 8.230 nan 0.000 0.454 5 Q N 0.091 119.748 119.800 -0.238 0.000 2.267 5 Q HA 0.105 4.445 4.340 -0.000 0.000 0.255 5 Q C 0.171 176.119 176.000 -0.086 0.000 0.923 5 Q CA -0.365 55.366 55.803 -0.120 0.000 0.925 5 Q CB 0.479 29.191 28.738 -0.043 0.000 1.195 5 Q HN 0.083 nan 8.270 nan 0.000 0.417 6 N N 1.807 120.477 118.700 -0.049 0.000 2.678 6 N HA -0.213 4.527 4.740 -0.000 0.000 0.268 6 N C -1.145 174.361 175.510 -0.006 0.000 1.010 6 N CA 0.343 53.390 53.050 -0.004 0.000 0.784 6 N CB -0.926 37.571 38.487 0.016 0.000 0.905 6 N HN 0.588 nan 8.380 nan 0.000 0.552 7 I N 1.346 121.898 120.570 -0.031 0.000 2.529 7 I HA 0.187 4.357 4.170 -0.000 0.000 0.284 7 I C -1.122 175.059 176.117 0.105 0.000 1.082 7 I CA -1.459 59.819 61.300 -0.037 0.000 1.406 7 I CB 0.536 38.425 38.000 -0.185 0.000 1.405 7 I HN 0.242 nan 8.210 nan 0.000 0.548 8 P HA 0.155 nan 4.420 nan 0.000 0.277 8 P C -2.203 175.156 177.300 0.098 0.000 1.276 8 P CA -1.183 61.962 63.100 0.075 0.000 0.788 8 P CB -0.183 31.558 31.700 0.068 0.000 1.114 9 P HA -0.102 nan 4.420 nan 0.000 0.218 9 P C -0.087 177.044 177.300 -0.281 0.000 1.149 9 P CA 1.657 64.582 63.100 -0.291 0.000 0.817 9 P CB -0.093 31.271 31.700 -0.559 0.000 0.785 10 Y N 0.008 120.385 120.300 0.128 0.000 2.331 10 Y HA 0.521 5.070 4.550 -0.000 0.000 0.338 10 Y C 0.353 176.304 175.900 0.084 0.000 0.992 10 Y CA -1.321 56.852 58.100 0.122 0.000 1.121 10 Y CB 1.060 39.645 38.460 0.208 0.000 1.184 10 Y HN -0.237 nan 8.280 nan 0.000 0.469 11 L N 4.817 126.118 121.223 0.129 0.000 2.376 11 L HA 0.666 5.005 4.340 -0.000 0.000 0.275 11 L C -1.919 174.917 176.870 -0.057 0.000 0.987 11 L CA -0.717 54.139 54.840 0.027 0.000 0.828 11 L CB 0.586 42.641 42.059 -0.007 0.000 1.249 11 L HN 0.409 nan 8.230 nan 0.000 0.409 12 F N 4.774 124.714 119.950 -0.017 0.000 2.495 12 F HA 0.581 5.108 4.527 -0.000 0.000 0.327 12 F C -0.672 174.997 175.800 -0.219 0.000 1.103 12 F CA -0.239 57.762 58.000 0.003 0.000 0.949 12 F CB 1.695 40.631 39.000 -0.106 0.000 1.142 12 F HN 0.225 nan 8.300 nan 0.000 0.457 13 F N 1.293 121.390 119.950 0.245 0.000 2.444 13 F HA 0.550 5.077 4.527 -0.000 0.000 0.342 13 F C 0.350 176.224 175.800 0.122 0.000 1.121 13 F CA -0.606 57.469 58.000 0.125 0.000 0.997 13 F CB 2.087 41.127 39.000 0.067 0.000 1.130 13 F HN 0.300 nan 8.300 nan 0.000 0.454 14 T N 1.523 116.206 114.554 0.214 0.000 2.930 14 T HA 0.890 5.240 4.350 -0.000 0.000 0.290 14 T C -0.438 174.330 174.700 0.113 0.000 1.052 14 T CA -0.159 62.026 62.100 0.142 0.000 1.017 14 T CB 1.611 70.522 68.868 0.072 0.000 1.137 14 T HN 1.080 nan 8.240 nan 0.000 0.511 15 G N 1.829 110.679 108.800 0.083 0.000 2.353 15 G HA2 0.282 4.242 3.960 -0.000 0.000 0.308 15 G HA3 0.282 4.242 3.960 -0.000 0.000 0.308 15 G C -1.226 173.702 174.900 0.047 0.000 1.418 15 G CA -0.463 44.672 45.100 0.058 0.000 0.966 15 G HN 0.902 nan 8.290 nan 0.000 0.638 16 K N -0.180 120.237 120.400 0.029 0.000 2.276 16 K HA 0.554 4.874 4.320 -0.000 0.000 0.259 16 K C 0.846 177.458 176.600 0.019 0.000 1.001 16 K CA 0.143 56.442 56.287 0.019 0.000 0.927 16 K CB 0.567 33.072 32.500 0.007 0.000 0.969 16 K HN 1.329 nan 8.250 nan 0.000 0.490 17 G N -0.002 108.806 108.800 0.013 0.000 2.225 17 G HA2 0.288 4.248 3.960 -0.000 0.000 0.245 17 G HA3 0.288 4.248 3.960 -0.000 0.000 0.245 17 G C 0.964 175.869 174.900 0.008 0.000 1.249 17 G CA -0.048 45.059 45.100 0.012 0.000 0.919 17 G HN 1.207 nan 8.290 nan 0.000 0.486 18 G N 0.277 109.083 108.800 0.010 0.000 2.179 18 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 18 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 18 G C 1.284 176.185 174.900 0.002 0.000 0.977 18 G CA 0.878 45.982 45.100 0.005 0.000 0.641 18 G HN 1.912 nan 8.290 nan 0.000 0.533 19 V N -2.393 117.523 119.914 0.004 0.000 2.809 19 V HA 0.472 4.592 4.120 -0.000 0.000 0.256 19 V C 2.013 178.099 176.094 -0.013 0.000 1.080 19 V CA 1.804 64.104 62.300 0.000 0.000 1.102 19 V CB -0.385 31.442 31.823 0.007 0.000 0.705 19 V HN 2.237 nan 8.190 nan 0.000 0.475 20 G N -0.244 108.542 108.800 -0.024 0.000 2.151 20 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.140 20 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.140 20 G C 0.561 175.398 174.900 -0.105 0.000 1.020 20 G CA 0.194 45.261 45.100 -0.055 0.000 0.688 20 G HN 0.433 nan 8.290 nan 0.000 0.500 21 K N -0.055 120.301 120.400 -0.073 0.000 2.020 21 K HA -0.109 4.211 4.320 -0.000 0.000 0.212 21 K C 2.550 179.006 176.600 -0.240 0.000 1.050 21 K CA 2.076 58.291 56.287 -0.121 0.000 0.929 21 K CB -0.354 32.169 32.500 0.038 0.000 0.714 21 K HN 0.306 nan 8.250 nan 0.000 0.443 22 T N 0.880 115.362 114.554 -0.120 0.000 2.708 22 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 22 T C 2.151 176.759 174.700 -0.153 0.000 1.037 22 T CA 1.584 63.619 62.100 -0.108 0.000 1.146 22 T CB -0.213 68.628 68.868 -0.045 0.000 0.865 22 T HN 0.164 nan 8.240 nan 0.000 0.435 23 S N 1.298 116.912 115.700 -0.143 0.000 2.353 23 S HA -0.044 4.425 4.470 -0.000 0.000 0.222 23 S C 2.066 176.565 174.600 -0.169 0.000 1.035 23 S CA 1.135 59.254 58.200 -0.135 0.000 1.025 23 S CB -0.491 62.651 63.200 -0.098 0.000 0.902 23 S HN 0.429 nan 8.310 nan 0.000 0.440 24 I N 1.334 121.752 120.570 -0.253 0.000 2.286 24 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 24 I C 2.384 178.231 176.117 -0.449 0.000 1.115 24 I CA 0.837 61.942 61.300 -0.324 0.000 1.392 24 I CB -0.402 37.324 38.000 -0.456 0.000 1.065 24 I HN 0.205 nan 8.210 nan 0.000 0.418 25 S N -0.027 115.307 115.700 -0.610 0.000 2.368 25 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 25 S C 2.173 176.726 174.600 -0.079 0.000 1.029 25 S CA 1.341 59.298 58.200 -0.405 0.000 0.988 25 S CB -0.333 62.711 63.200 -0.260 0.000 0.838 25 S HN 0.497 nan 8.310 nan 0.000 0.462 26 C N 1.634 120.905 119.300 -0.048 0.000 2.446 26 C HA 0.067 4.527 4.460 -0.000 0.000 0.277 26 C C 3.041 178.093 174.990 0.104 0.000 1.275 26 C CA 0.439 59.512 59.018 0.092 0.000 1.727 26 C CB -1.489 26.231 27.740 -0.034 0.000 2.010 26 C HN 0.669 nan 8.230 nan 0.000 0.486 27 A N 0.173 123.007 122.820 0.024 0.000 1.930 27 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 27 A C 2.186 179.816 177.584 0.078 0.000 1.175 27 A CA 2.379 54.445 52.037 0.049 0.000 0.627 27 A CB -0.977 18.043 19.000 0.033 0.000 0.815 27 A HN 0.558 nan 8.150 nan 0.000 0.443 28 T N 0.201 114.812 114.554 0.096 0.000 2.777 28 T HA 0.016 4.366 4.350 -0.000 0.000 0.266 28 T C 2.263 177.006 174.700 0.072 0.000 1.040 28 T CA 1.484 63.662 62.100 0.129 0.000 1.141 28 T CB -0.429 68.613 68.868 0.289 0.000 0.868 28 T HN 0.583 nan 8.240 nan 0.000 0.444 29 A N 1.283 124.152 122.820 0.081 0.000 1.883 29 A HA -0.059 4.260 4.320 -0.000 0.000 0.217 29 A C 2.279 179.896 177.584 0.056 0.000 1.186 29 A CA 1.346 53.418 52.037 0.059 0.000 0.624 29 A CB -0.870 18.167 19.000 0.062 0.000 0.822 29 A HN 0.509 nan 8.150 nan 0.000 0.444 30 I N -1.005 119.623 120.570 0.096 0.000 2.099 30 I HA -0.312 3.858 4.170 -0.000 0.000 0.239 30 I C 2.701 178.847 176.117 0.049 0.000 1.066 30 I CA 2.002 63.355 61.300 0.089 0.000 1.324 30 I CB -0.336 37.743 38.000 0.132 0.000 1.037 30 I HN 0.351 nan 8.210 nan 0.000 0.401 31 R N 1.453 121.975 120.500 0.038 0.000 2.103 31 R HA -0.176 4.164 4.340 -0.000 0.000 0.242 31 R C 2.040 178.337 176.300 -0.006 0.000 1.142 31 R CA 1.819 57.924 56.100 0.009 0.000 0.960 31 R CB -0.675 29.618 30.300 -0.011 0.000 0.858 31 R HN 0.357 nan 8.270 nan 0.000 0.439 32 L N -0.649 120.568 121.223 -0.010 0.000 2.131 32 L HA 0.083 4.422 4.340 -0.000 0.000 0.206 32 L C 2.498 179.387 176.870 0.031 0.000 1.087 32 L CA 0.984 55.818 54.840 -0.010 0.000 0.767 32 L CB -0.601 41.429 42.059 -0.048 0.000 0.917 32 L HN 0.321 nan 8.230 nan 0.000 0.441 33 A N 0.044 122.884 122.820 0.033 0.000 1.972 33 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 33 A C 2.104 179.701 177.584 0.022 0.000 1.169 33 A CA 1.422 53.478 52.037 0.033 0.000 0.635 33 A CB -0.341 18.670 19.000 0.019 0.000 0.810 33 A HN 0.440 nan 8.150 nan 0.000 0.446 34 E N -0.495 119.716 120.200 0.019 0.000 2.358 34 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 34 E C 1.356 177.962 176.600 0.010 0.000 1.010 34 E CA 0.564 56.973 56.400 0.014 0.000 0.856 34 E CB -0.033 29.676 29.700 0.016 0.000 0.795 34 E HN 0.715 nan 8.360 nan 0.000 0.504 35 Q N -0.519 119.288 119.800 0.011 0.000 2.280 35 Q HA 0.109 4.448 4.340 -0.000 0.000 0.202 35 Q C 0.663 176.672 176.000 0.015 0.000 0.903 35 Q CA 0.306 56.115 55.803 0.010 0.000 0.948 35 Q CB 0.891 29.633 28.738 0.005 0.000 1.058 35 Q HN 0.357 nan 8.270 nan 0.000 0.493 36 G N 0.987 109.797 108.800 0.016 0.000 2.157 36 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.248 36 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.248 36 G C -0.027 174.884 174.900 0.019 0.000 0.979 36 G CA -0.233 44.874 45.100 0.012 0.000 0.650 36 G HN 0.060 nan 8.290 nan 0.000 0.529 37 K N 0.295 120.722 120.400 0.045 0.000 2.118 37 K HA 0.476 4.796 4.320 -0.000 0.000 0.264 37 K C 0.661 177.303 176.600 0.070 0.000 1.000 37 K CA -0.566 55.765 56.287 0.073 0.000 0.929 37 K CB 0.852 33.457 32.500 0.175 0.000 1.021 37 K HN 0.359 nan 8.250 nan 0.000 0.463 38 R N 0.929 121.465 120.500 0.059 0.000 2.202 38 R HA 0.328 4.668 4.340 -0.000 0.000 0.334 38 R C -0.435 176.018 176.300 0.255 0.000 1.036 38 R CA -0.508 55.639 56.100 0.079 0.000 0.878 38 R CB 0.736 30.994 30.300 -0.070 0.000 1.067 38 R HN 0.184 nan 8.270 nan 0.000 0.457 39 V N 4.774 124.856 119.914 0.280 0.000 2.604 39 V HA 0.377 4.497 4.120 -0.000 0.000 0.305 39 V C -0.325 175.807 176.094 0.065 0.000 1.043 39 V CA -0.899 61.527 62.300 0.209 0.000 0.888 39 V CB 2.143 34.024 31.823 0.096 0.000 0.995 39 V HN 0.622 nan 8.190 nan 0.000 0.429 40 L N 5.186 126.235 121.223 -0.289 0.000 2.305 40 L HA 0.604 4.944 4.340 -0.000 0.000 0.284 40 L C -1.218 175.418 176.870 -0.391 0.000 1.013 40 L CA -0.770 53.687 54.840 -0.639 0.000 0.819 40 L CB 1.551 42.820 42.059 -1.317 0.000 1.227 40 L HN 0.607 nan 8.230 nan 0.000 0.417 41 L N 6.512 127.563 121.223 -0.287 0.000 2.265 41 L HA 0.425 4.765 4.340 -0.000 0.000 0.289 41 L C -0.824 175.908 176.870 -0.231 0.000 1.033 41 L CA -0.165 54.549 54.840 -0.209 0.000 0.814 41 L CB 1.609 43.612 42.059 -0.094 0.000 1.203 41 L HN 0.295 nan 8.230 nan 0.000 0.423 42 V N 4.395 124.126 119.914 -0.306 0.000 2.318 42 V HA 0.353 4.473 4.120 -0.000 0.000 0.271 42 V C 0.511 176.569 176.094 -0.060 0.000 1.030 42 V CA -0.405 61.747 62.300 -0.247 0.000 0.844 42 V CB 0.816 32.352 31.823 -0.477 0.000 1.015 42 V HN 0.861 nan 8.190 nan 0.000 0.460 43 S N 3.540 119.229 115.700 -0.019 0.000 2.474 43 S HA 0.275 4.745 4.470 -0.000 0.000 0.276 43 S C 1.172 175.799 174.600 0.044 0.000 1.227 43 S CA 0.216 58.435 58.200 0.031 0.000 1.050 43 S CB 0.835 64.052 63.200 0.028 0.000 0.939 43 S HN 1.010 nan 8.310 nan 0.000 0.490 44 T N 0.802 115.406 114.554 0.082 0.000 2.975 44 T HA 0.240 4.590 4.350 -0.000 0.000 0.257 44 T C -0.111 174.618 174.700 0.049 0.000 1.003 44 T CA -0.366 61.773 62.100 0.065 0.000 0.932 44 T CB -0.148 68.808 68.868 0.147 0.000 1.087 44 T HN 0.481 nan 8.240 nan 0.000 0.512 45 D N 4.065 124.499 120.400 0.057 0.000 2.443 45 D HA 0.159 4.799 4.640 -0.000 0.000 0.239 45 D C -1.111 175.205 176.300 0.026 0.000 1.136 45 D CA -1.876 52.151 54.000 0.045 0.000 0.879 45 D CB 1.326 42.151 40.800 0.042 0.000 1.195 45 D HN 0.136 nan 8.370 nan 0.000 0.443 46 P HA -0.154 nan 4.420 nan 0.000 0.218 46 P C 0.027 177.337 177.300 0.017 0.000 1.146 46 P CA 1.182 64.290 63.100 0.014 0.000 0.813 46 P CB 0.391 32.098 31.700 0.011 0.000 0.778 47 A N -0.679 122.153 122.820 0.021 0.000 3.308 47 A HA 0.339 4.659 4.320 -0.000 0.000 0.275 47 A C 0.331 177.929 177.584 0.023 0.000 0.950 47 A CA -0.354 51.697 52.037 0.023 0.000 0.987 47 A CB -0.309 18.709 19.000 0.029 0.000 1.146 47 A HN 0.046 nan 8.150 nan 0.000 0.488 48 S N 1.381 117.095 115.700 0.022 0.000 2.643 48 S HA -0.053 4.417 4.470 -0.000 0.000 0.310 48 S C 1.231 175.844 174.600 0.022 0.000 1.253 48 S CA 1.053 59.268 58.200 0.024 0.000 1.047 48 S CB 0.103 63.318 63.200 0.025 0.000 0.767 48 S HN 0.853 nan 8.310 nan 0.000 0.498 49 N N 4.074 122.785 118.700 0.018 0.000 2.159 49 N HA 0.001 4.741 4.740 -0.000 0.000 0.217 49 N C 1.109 176.624 175.510 0.008 0.000 1.223 49 N CA 0.174 53.230 53.050 0.010 0.000 0.896 49 N CB -0.347 38.139 38.487 -0.001 0.000 1.064 49 N HN 0.397 nan 8.380 nan 0.000 0.518 50 V N 1.264 121.196 119.914 0.029 0.000 2.324 50 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 50 V C 2.715 178.883 176.094 0.122 0.000 1.060 50 V CA 2.397 64.736 62.300 0.064 0.000 1.042 50 V CB -1.222 30.668 31.823 0.113 0.000 0.650 50 V HN 0.520 nan 8.190 nan 0.000 0.450 51 G N -1.302 107.561 108.800 0.104 0.000 2.469 51 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.219 51 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.219 51 G C 1.507 176.462 174.900 0.092 0.000 1.150 51 G CA 1.143 46.313 45.100 0.117 0.000 0.763 51 G HN 0.558 nan 8.290 nan 0.000 0.561 52 Q N 0.223 120.044 119.800 0.035 0.000 2.002 52 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 52 Q C 2.839 178.814 176.000 -0.043 0.000 0.988 52 Q CA 2.772 58.575 55.803 0.001 0.000 0.843 52 Q CB -0.373 28.358 28.738 -0.013 0.000 0.908 52 Q HN 0.494 nan 8.270 nan 0.000 0.420 53 V N -1.689 118.149 119.914 -0.128 0.000 2.546 53 V HA -0.196 3.924 4.120 -0.000 0.000 0.254 53 V C 1.455 177.309 176.094 -0.399 0.000 1.076 53 V CA 1.693 63.812 62.300 -0.302 0.000 1.087 53 V CB -0.777 30.757 31.823 -0.480 0.000 0.674 53 V HN 0.320 nan 8.190 nan 0.000 0.470 54 F N 0.742 120.689 119.950 -0.005 0.000 2.664 54 F HA 0.503 5.030 4.527 -0.000 0.000 0.303 54 F C 1.474 177.274 175.800 -0.001 0.000 1.092 54 F CA -0.082 57.916 58.000 -0.004 0.000 1.305 54 F CB -0.440 38.557 39.000 -0.005 0.000 1.054 54 F HN 0.166 nan 8.300 nan 0.000 0.565 55 S N 1.711 117.478 115.700 0.111 0.000 3.608 55 S HA -0.228 4.241 4.470 -0.000 0.000 0.382 55 S C -0.045 174.605 174.600 0.083 0.000 0.945 55 S CA 1.016 59.260 58.200 0.073 0.000 1.256 55 S CB -1.621 61.612 63.200 0.054 0.000 0.913 55 S HN 0.788 nan 8.310 nan 0.000 0.518 56 Q N -1.651 118.204 119.800 0.092 0.000 2.756 56 Q HA 0.621 4.961 4.340 -0.000 0.000 0.295 56 Q C -0.711 175.327 176.000 0.063 0.000 0.903 56 Q CA -0.823 55.021 55.803 0.069 0.000 0.768 56 Q CB 0.826 29.604 28.738 0.067 0.000 1.472 56 Q HN 0.339 nan 8.270 nan 0.000 0.416 57 T N -0.240 114.339 114.554 0.042 0.000 2.907 57 T HA 0.768 5.118 4.350 -0.000 0.000 0.284 57 T C 0.282 175.000 174.700 0.029 0.000 1.004 57 T CA -0.615 61.506 62.100 0.035 0.000 1.063 57 T CB 0.654 69.536 68.868 0.024 0.000 0.992 57 T HN 0.725 nan 8.240 nan 0.000 0.483 58 I N -1.206 119.381 120.570 0.028 0.000 2.769 58 I HA 0.908 5.078 4.170 -0.000 0.000 0.298 58 I C -0.060 176.065 176.117 0.013 0.000 1.128 58 I CA -1.229 60.082 61.300 0.017 0.000 1.031 58 I CB 1.986 39.998 38.000 0.021 0.000 1.235 58 I HN 0.894 nan 8.210 nan 0.000 0.423 59 G N 2.506 111.309 108.800 0.005 0.000 3.243 59 G HA2 0.249 4.209 3.960 -0.000 0.000 0.248 59 G HA3 0.249 4.209 3.960 -0.000 0.000 0.248 59 G C -0.302 174.598 174.900 -0.000 0.000 1.267 59 G CA -0.528 44.575 45.100 0.005 0.000 0.906 59 G HN 0.778 nan 8.290 nan 0.000 0.592 60 N N 0.045 118.746 118.700 0.002 0.000 2.416 60 N HA 0.134 4.874 4.740 -0.000 0.000 0.215 60 N C -0.258 175.253 175.510 0.002 0.000 1.208 60 N CA 0.089 53.139 53.050 -0.000 0.000 0.834 60 N CB 0.503 38.993 38.487 0.004 0.000 1.072 60 N HN 0.171 nan 8.380 nan 0.000 0.472 61 T N 0.904 115.458 114.554 0.001 0.000 2.921 61 T HA 0.399 4.749 4.350 -0.000 0.000 0.297 61 T C 0.170 174.871 174.700 0.001 0.000 1.013 61 T CA -0.648 61.455 62.100 0.006 0.000 0.990 61 T CB 1.527 70.401 68.868 0.010 0.000 1.023 61 T HN 0.060 nan 8.240 nan 0.000 0.447 62 I N 3.665 124.240 120.570 0.008 0.000 2.668 62 I HA 0.093 4.263 4.170 -0.000 0.000 0.285 62 I C 0.573 176.703 176.117 0.022 0.000 1.168 62 I CA 0.569 61.875 61.300 0.010 0.000 1.424 62 I CB 0.287 38.320 38.000 0.055 0.000 1.377 62 I HN 0.444 nan 8.210 nan 0.000 0.560 63 Q N 4.714 124.517 119.800 0.005 0.000 2.331 63 Q HA 0.618 4.958 4.340 -0.000 0.000 0.272 63 Q C -0.763 175.232 176.000 -0.010 0.000 1.062 63 Q CA -0.901 54.903 55.803 0.002 0.000 0.806 63 Q CB 2.506 31.239 28.738 -0.009 0.000 1.312 63 Q HN 0.793 nan 8.270 nan 0.000 0.431 64 A N 2.595 125.413 122.820 -0.004 0.000 2.407 64 A HA 0.346 4.666 4.320 -0.000 0.000 0.248 64 A C -0.233 177.312 177.584 -0.066 0.000 1.082 64 A CA -0.112 51.912 52.037 -0.021 0.000 0.785 64 A CB 0.140 19.133 19.000 -0.012 0.000 1.020 64 A HN 0.749 nan 8.150 nan 0.000 0.489 65 I N 2.978 123.473 120.570 -0.124 0.000 2.282 65 I HA 0.150 4.320 4.170 -0.000 0.000 0.290 65 I C 1.570 177.617 176.117 -0.116 0.000 1.090 65 I CA -0.170 61.017 61.300 -0.187 0.000 1.231 65 I CB 0.927 38.659 38.000 -0.447 0.000 1.434 65 I HN 0.881 nan 8.210 nan 0.000 0.487 66 A N 4.484 127.270 122.820 -0.058 0.000 1.929 66 A HA -0.285 4.035 4.320 -0.000 0.000 0.221 66 A C 2.316 179.890 177.584 -0.016 0.000 1.211 66 A CA 2.642 54.663 52.037 -0.026 0.000 0.657 66 A CB -0.684 18.312 19.000 -0.006 0.000 0.827 66 A HN 0.757 nan 8.150 nan 0.000 0.462 67 S N -1.876 113.822 115.700 -0.002 0.000 2.603 67 S HA 0.232 4.702 4.470 -0.000 0.000 0.229 67 S C 0.252 174.864 174.600 0.019 0.000 0.972 67 S CA 0.695 58.913 58.200 0.031 0.000 0.935 67 S CB -0.173 63.083 63.200 0.094 0.000 0.769 67 S HN 0.437 nan 8.310 nan 0.000 0.536 68 V N 3.622 123.514 119.914 -0.037 0.000 2.538 68 V HA 0.362 4.482 4.120 -0.000 0.000 0.265 68 V C -2.647 173.417 176.094 -0.049 0.000 0.977 68 V CA -1.945 60.331 62.300 -0.041 0.000 0.852 68 V CB 1.339 33.108 31.823 -0.090 0.000 1.058 68 V HN 0.214 nan 8.190 nan 0.000 0.462 69 P HA 0.182 nan 4.420 nan 0.000 0.264 69 P C 1.009 178.300 177.300 -0.015 0.000 1.193 69 P CA 1.603 64.691 63.100 -0.020 0.000 0.763 69 P CB 1.096 32.789 31.700 -0.012 0.000 0.810 70 G N 1.624 110.417 108.800 -0.012 0.000 2.232 70 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.226 70 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.226 70 G C -0.479 174.442 174.900 0.035 0.000 0.996 70 G CA 0.025 45.129 45.100 0.006 0.000 0.626 70 G HN 0.638 nan 8.290 nan 0.000 0.509 71 L N 2.099 123.320 121.223 -0.003 0.000 2.329 71 L HA 0.901 5.241 4.340 -0.000 0.000 0.279 71 L C -0.100 176.743 176.870 -0.046 0.000 1.014 71 L CA -0.419 54.406 54.840 -0.027 0.000 0.814 71 L CB 2.126 44.111 42.059 -0.124 0.000 1.257 71 L HN 0.142 nan 8.230 nan 0.000 0.424 72 S N 2.645 118.343 115.700 -0.004 0.000 2.671 72 S HA 0.997 5.467 4.470 -0.000 0.000 0.299 72 S C -0.960 173.560 174.600 -0.133 0.000 1.116 72 S CA -0.320 57.867 58.200 -0.022 0.000 0.912 72 S CB 1.826 65.118 63.200 0.154 0.000 1.130 72 S HN 0.958 nan 8.310 nan 0.000 0.501 73 A N 0.662 123.407 122.820 -0.125 0.000 2.515 73 A HA 0.911 5.230 4.320 -0.000 0.000 0.296 73 A C -1.936 175.585 177.584 -0.106 0.000 1.094 73 A CA -0.610 51.346 52.037 -0.136 0.000 0.718 73 A CB 1.464 20.398 19.000 -0.111 0.000 1.307 73 A HN 0.758 nan 8.150 nan 0.000 0.408 74 L N 0.206 121.363 121.223 -0.109 0.000 2.505 74 L HA 0.598 4.938 4.340 -0.000 0.000 0.266 74 L C -0.705 176.131 176.870 -0.057 0.000 0.954 74 L CA -0.031 54.760 54.840 -0.081 0.000 0.852 74 L CB 2.029 44.021 42.059 -0.111 0.000 1.282 74 L HN 0.837 nan 8.230 nan 0.000 0.403 75 E N 5.563 125.746 120.200 -0.029 0.000 2.133 75 E HA 0.487 4.837 4.350 -0.000 0.000 0.274 75 E C -1.322 175.268 176.600 -0.017 0.000 0.930 75 E CA -0.557 55.834 56.400 -0.014 0.000 0.770 75 E CB 1.038 30.738 29.700 0.000 0.000 1.104 75 E HN 0.707 nan 8.360 nan 0.000 0.403 76 I N 4.182 124.738 120.570 -0.023 0.000 2.328 76 I HA 0.142 4.312 4.170 -0.000 0.000 0.287 76 I C -0.130 175.966 176.117 -0.034 0.000 1.012 76 I CA -0.750 60.527 61.300 -0.038 0.000 1.195 76 I CB 1.169 39.121 38.000 -0.080 0.000 1.350 76 I HN 0.487 nan 8.210 nan 0.000 0.464 77 D N 9.730 130.118 120.400 -0.020 0.000 2.325 77 D HA 0.149 4.788 4.640 -0.000 0.000 0.251 77 D C -1.394 174.894 176.300 -0.021 0.000 1.196 77 D CA -2.040 51.953 54.000 -0.012 0.000 0.866 77 D CB 1.756 42.555 40.800 -0.001 0.000 1.101 77 D HN 0.274 nan 8.370 nan 0.000 0.476 78 P HA -0.112 nan 4.420 nan 0.000 0.218 78 P C 1.050 178.337 177.300 -0.022 0.000 1.152 78 P CA 0.921 64.000 63.100 -0.034 0.000 0.826 78 P CB 0.567 32.249 31.700 -0.031 0.000 0.790 79 Q N -0.091 119.702 119.800 -0.012 0.000 2.119 79 Q HA -0.053 4.286 4.340 -0.000 0.000 0.201 79 Q C 2.384 178.386 176.000 0.003 0.000 0.972 79 Q CA 1.586 57.385 55.803 -0.008 0.000 0.847 79 Q CB -0.547 28.190 28.738 -0.002 0.000 0.903 79 Q HN 0.218 nan 8.270 nan 0.000 0.433 80 A N 1.202 124.026 122.820 0.007 0.000 1.898 80 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 80 A C 2.314 179.917 177.584 0.030 0.000 1.181 80 A CA 1.424 53.471 52.037 0.017 0.000 0.620 80 A CB -0.648 18.361 19.000 0.015 0.000 0.819 80 A HN 0.371 nan 8.150 nan 0.000 0.442 81 A N -0.034 122.801 122.820 0.026 0.000 1.902 81 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 81 A C 2.492 180.128 177.584 0.087 0.000 1.181 81 A CA 2.077 54.147 52.037 0.055 0.000 0.623 81 A CB -0.983 18.034 19.000 0.029 0.000 0.818 81 A HN 1.020 nan 8.150 nan 0.000 0.443 82 A N -0.937 121.900 122.820 0.029 0.000 1.902 82 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 82 A C 2.114 179.745 177.584 0.078 0.000 1.181 82 A CA 1.751 53.797 52.037 0.015 0.000 0.623 82 A CB -0.574 18.397 19.000 -0.049 0.000 0.818 82 A HN 0.612 nan 8.150 nan 0.000 0.443 83 Q N -1.152 118.679 119.800 0.053 0.000 2.061 83 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 83 Q C 2.305 178.349 176.000 0.073 0.000 0.984 83 Q CA 2.061 57.895 55.803 0.052 0.000 0.846 83 Q CB -0.149 28.609 28.738 0.034 0.000 0.902 83 Q HN 0.671 nan 8.270 nan 0.000 0.421 84 Q N -1.203 118.648 119.800 0.086 0.000 2.172 84 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 84 Q C 1.394 177.452 176.000 0.097 0.000 0.964 84 Q CA 1.070 56.919 55.803 0.077 0.000 0.855 84 Q CB -0.194 28.584 28.738 0.067 0.000 0.918 84 Q HN 0.448 nan 8.270 nan 0.000 0.444 85 Y N 0.427 120.734 120.300 0.012 0.000 2.145 85 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 85 Y C 2.443 178.348 175.900 0.008 0.000 1.145 85 Y CA 1.828 59.936 58.100 0.014 0.000 1.148 85 Y CB 0.098 38.563 38.460 0.007 0.000 0.981 85 Y HN -0.016 nan 8.280 nan 0.000 0.507 86 R N -0.197 120.432 120.500 0.214 0.000 2.073 86 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 86 R C 2.364 178.702 176.300 0.063 0.000 1.134 86 R CA 1.401 57.576 56.100 0.124 0.000 0.952 86 R CB -0.575 29.778 30.300 0.087 0.000 0.850 86 R HN 0.394 nan 8.270 nan 0.000 0.433 87 A N 0.596 123.446 122.820 0.050 0.000 1.972 87 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 87 A C 2.135 179.724 177.584 0.008 0.000 1.169 87 A CA 1.426 53.479 52.037 0.027 0.000 0.635 87 A CB -0.527 18.488 19.000 0.026 0.000 0.810 87 A HN 0.362 nan 8.150 nan 0.000 0.446 88 R N -0.505 119.988 120.500 -0.012 0.000 2.092 88 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 88 R C 1.754 178.032 176.300 -0.036 0.000 1.119 88 R CA 1.672 57.747 56.100 -0.041 0.000 0.970 88 R CB -0.279 29.960 30.300 -0.102 0.000 0.864 88 R HN 0.566 nan 8.270 nan 0.000 0.440 89 I N -0.473 120.080 120.570 -0.028 0.000 2.400 89 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 89 I C 1.934 178.057 176.117 0.009 0.000 1.109 89 I CA 0.483 61.777 61.300 -0.010 0.000 1.425 89 I CB 0.203 38.208 38.000 0.007 0.000 1.094 89 I HN -0.020 nan 8.210 nan 0.000 0.425 90 V N 0.258 120.182 119.914 0.018 0.000 2.446 90 V HA -0.171 3.949 4.120 -0.000 0.000 0.244 90 V C 1.943 178.047 176.094 0.016 0.000 1.039 90 V CA 1.415 63.727 62.300 0.021 0.000 1.045 90 V CB -0.600 31.240 31.823 0.027 0.000 0.681 90 V HN 0.314 nan 8.190 nan 0.000 0.459 91 D N 0.329 120.737 120.400 0.014 0.000 2.149 91 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 91 D C -0.165 176.141 176.300 0.011 0.000 1.001 91 D CA 1.797 55.804 54.000 0.012 0.000 0.849 91 D CB -1.612 39.194 40.800 0.010 0.000 0.939 91 D HN 0.386 nan 8.370 nan 0.000 0.449 92 P HA -0.039 nan 4.420 nan 0.000 0.222 92 P C 1.546 178.853 177.300 0.012 0.000 1.147 92 P CA 0.813 63.918 63.100 0.010 0.000 0.790 92 P CB -0.129 31.576 31.700 0.009 0.000 0.780 93 I N -5.386 115.192 120.570 0.013 0.000 3.956 93 I HA 0.217 4.387 4.170 -0.000 0.000 0.333 93 I C 0.200 176.326 176.117 0.014 0.000 1.302 93 I CA -0.338 60.971 61.300 0.014 0.000 1.122 93 I CB -0.244 37.766 38.000 0.017 0.000 1.013 93 I HN -0.306 nan 8.210 nan 0.000 0.405 94 K N 2.546 122.954 120.400 0.014 0.000 2.412 94 K HA 0.291 4.611 4.320 -0.000 0.000 0.281 94 K C 1.188 177.796 176.600 0.012 0.000 1.027 94 K CA 0.863 57.158 56.287 0.014 0.000 0.989 94 K CB 0.544 33.053 32.500 0.014 0.000 0.935 94 K HN 0.457 nan 8.250 nan 0.000 0.475 95 G N 1.224 110.031 108.800 0.012 0.000 2.184 95 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.264 95 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.264 95 G C 0.641 175.547 174.900 0.010 0.000 0.975 95 G CA 0.524 45.630 45.100 0.011 0.000 0.642 95 G HN 0.428 nan 8.290 nan 0.000 0.536 96 V N 0.200 120.121 119.914 0.011 0.000 2.784 96 V HA 0.412 4.532 4.120 -0.000 0.000 0.231 96 V C 1.759 177.859 176.094 0.010 0.000 1.128 96 V CA 0.968 63.275 62.300 0.010 0.000 1.178 96 V CB -0.277 31.553 31.823 0.011 0.000 0.943 96 V HN 0.292 nan 8.190 nan 0.000 0.500 97 L N 2.302 123.532 121.223 0.012 0.000 2.439 97 L HA 0.323 4.663 4.340 -0.000 0.000 0.261 97 L C -2.085 174.792 176.870 0.012 0.000 1.153 97 L CA -1.582 53.265 54.840 0.012 0.000 0.808 97 L CB 0.375 42.443 42.059 0.014 0.000 1.126 97 L HN 0.182 nan 8.230 nan 0.000 0.460 98 P HA 0.008 nan 4.420 nan 0.000 0.269 98 P C -0.395 176.913 177.300 0.013 0.000 1.215 98 P CA -0.291 62.816 63.100 0.011 0.000 0.780 98 P CB 0.779 32.486 31.700 0.010 0.000 0.898 99 D N 1.229 121.637 120.400 0.013 0.000 2.149 99 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 99 D C 1.461 177.770 176.300 0.015 0.000 1.001 99 D CA 1.684 55.692 54.000 0.014 0.000 0.849 99 D CB -0.414 40.394 40.800 0.013 0.000 0.939 99 D HN 0.577 nan 8.370 nan 0.000 0.449 100 D N 0.543 120.952 120.400 0.014 0.000 2.178 100 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 100 D C 2.137 178.446 176.300 0.015 0.000 0.974 100 D CA 0.473 54.481 54.000 0.014 0.000 0.841 100 D CB -0.537 40.270 40.800 0.013 0.000 0.953 100 D HN 0.140 nan 8.370 nan 0.000 0.478 101 V N 1.018 120.941 119.914 0.015 0.000 2.270 101 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 101 V C 2.984 179.090 176.094 0.019 0.000 1.043 101 V CA 1.282 63.592 62.300 0.016 0.000 1.014 101 V CB -0.411 31.422 31.823 0.015 0.000 0.645 101 V HN 0.091 nan 8.190 nan 0.000 0.447 102 V N -0.133 119.792 119.914 0.019 0.000 2.287 102 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 102 V C 2.701 178.809 176.094 0.024 0.000 1.053 102 V CA 2.483 64.795 62.300 0.021 0.000 1.027 102 V CB -0.875 30.960 31.823 0.019 0.000 0.646 102 V HN 0.629 nan 8.190 nan 0.000 0.447 103 S N -0.575 115.138 115.700 0.022 0.000 2.400 103 S HA -0.237 4.233 4.470 -0.000 0.000 0.232 103 S C 2.284 176.900 174.600 0.027 0.000 1.025 103 S CA 2.141 60.355 58.200 0.024 0.000 0.993 103 S CB -0.388 62.825 63.200 0.021 0.000 0.808 103 S HN 0.675 nan 8.310 nan 0.000 0.478 104 S N 0.559 116.274 115.700 0.024 0.000 2.371 104 S HA 0.056 4.526 4.470 -0.000 0.000 0.224 104 S C 1.847 176.466 174.600 0.032 0.000 1.029 104 S CA 1.034 59.248 58.200 0.025 0.000 0.978 104 S CB -0.560 62.652 63.200 0.019 0.000 0.833 104 S HN 0.625 nan 8.310 nan 0.000 0.466 105 I N 2.315 122.904 120.570 0.032 0.000 2.264 105 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 105 I C 2.760 178.904 176.117 0.046 0.000 1.111 105 I CA 1.374 62.696 61.300 0.037 0.000 1.382 105 I CB -0.546 37.474 38.000 0.032 0.000 1.060 105 I HN 0.515 nan 8.210 nan 0.000 0.418 106 N N 0.940 119.666 118.700 0.043 0.000 2.120 106 N HA -0.258 4.482 4.740 -0.000 0.000 0.188 106 N C 1.887 177.433 175.510 0.060 0.000 1.024 106 N CA 1.587 54.665 53.050 0.047 0.000 0.852 106 N CB 0.059 38.569 38.487 0.038 0.000 1.003 106 N HN 0.257 nan 8.380 nan 0.000 0.424 107 E N 1.198 121.439 120.200 0.068 0.000 2.153 107 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 107 E C 1.820 178.529 176.600 0.182 0.000 0.988 107 E CA 1.293 57.758 56.400 0.109 0.000 0.811 107 E CB -0.256 29.488 29.700 0.074 0.000 0.746 107 E HN 0.422 nan 8.360 nan 0.000 0.466 108 Q N -0.765 119.111 119.800 0.127 0.000 2.364 108 Q HA -0.012 4.328 4.340 -0.000 0.000 0.207 108 Q C 0.815 176.890 176.000 0.125 0.000 0.970 108 Q CA 0.715 56.606 55.803 0.147 0.000 0.888 108 Q CB 0.107 28.891 28.738 0.077 0.000 0.951 108 Q HN 0.316 nan 8.270 nan 0.000 0.469 109 L N -0.599 120.671 121.223 0.078 0.000 3.017 109 L HA 0.173 4.513 4.340 -0.000 0.000 0.255 109 L C 0.568 177.416 176.870 -0.037 0.000 1.247 109 L CA -0.058 54.797 54.840 0.026 0.000 1.038 109 L CB 0.845 42.940 42.059 0.061 0.000 1.380 109 L HN -0.078 nan 8.230 nan 0.000 0.548 110 S N -0.736 114.910 115.700 -0.090 0.000 2.629 110 S HA 0.276 4.746 4.470 -0.000 0.000 0.236 110 S C 0.894 175.181 174.600 -0.522 0.000 1.010 110 S CA -0.165 57.926 58.200 -0.181 0.000 0.981 110 S CB 0.871 64.053 63.200 -0.030 0.000 0.919 110 S HN 0.429 nan 8.310 nan 0.000 0.514 111 G N 0.599 108.857 108.800 -0.903 0.000 2.535 111 G HA2 0.578 4.538 3.960 -0.000 0.000 0.303 111 G HA3 0.578 4.538 3.960 -0.000 0.000 0.303 111 G C 0.983 175.657 174.900 -0.377 0.000 1.237 111 G CA -0.118 44.358 45.100 -1.040 0.000 0.986 111 G HN 0.224 nan 8.290 nan 0.000 0.494 112 A N -1.058 121.627 122.820 -0.225 0.000 1.978 112 A HA -0.104 4.215 4.320 -0.000 0.000 0.220 112 A C 2.460 179.987 177.584 -0.096 0.000 1.170 112 A CA 2.010 53.976 52.037 -0.118 0.000 0.636 112 A CB -0.882 18.078 19.000 -0.066 0.000 0.810 112 A HN 0.583 nan 8.150 nan 0.000 0.448 113 C N -1.370 117.876 119.300 -0.089 0.000 2.429 113 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 113 C C 3.043 177.957 174.990 -0.127 0.000 1.262 113 C CA 1.593 60.574 59.018 -0.061 0.000 1.733 113 C CB -1.429 26.307 27.740 -0.007 0.000 2.010 113 C HN 0.651 nan 8.230 nan 0.000 0.483 114 T N 0.322 114.776 114.554 -0.167 0.000 2.746 114 T HA -0.151 4.198 4.350 -0.000 0.000 0.267 114 T C 1.796 176.336 174.700 -0.267 0.000 1.039 114 T CA 2.097 64.055 62.100 -0.237 0.000 1.142 114 T CB -0.448 68.306 68.868 -0.190 0.000 0.866 114 T HN 0.594 nan 8.240 nan 0.000 0.444 115 T N 2.038 116.484 114.554 -0.179 0.000 2.746 115 T HA -0.094 4.255 4.350 -0.000 0.000 0.267 115 T C 1.972 176.609 174.700 -0.104 0.000 1.039 115 T CA 0.948 62.968 62.100 -0.134 0.000 1.142 115 T CB -0.191 68.623 68.868 -0.089 0.000 0.866 115 T HN 0.331 nan 8.240 nan 0.000 0.444 116 E N 0.823 120.976 120.200 -0.077 0.000 2.072 116 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 116 E C 2.319 178.907 176.600 -0.019 0.000 0.985 116 E CA 0.665 57.059 56.400 -0.010 0.000 0.801 116 E CB -0.282 29.419 29.700 0.001 0.000 0.750 116 E HN 0.393 nan 8.360 nan 0.000 0.452 117 I N 1.006 121.486 120.570 -0.150 0.000 2.252 117 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 117 I C 2.374 178.385 176.117 -0.176 0.000 1.102 117 I CA 1.001 62.183 61.300 -0.197 0.000 1.385 117 I CB -1.344 36.445 38.000 -0.351 0.000 1.064 117 I HN -0.056 nan 8.210 nan 0.000 0.414 118 A N 0.952 123.558 122.820 -0.357 0.000 1.902 118 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 118 A C 2.594 180.169 177.584 -0.015 0.000 1.181 118 A CA 1.926 53.820 52.037 -0.238 0.000 0.623 118 A CB -0.773 18.072 19.000 -0.257 0.000 0.818 118 A HN 0.405 nan 8.150 nan 0.000 0.443 119 A N -1.326 121.478 122.820 -0.027 0.000 1.908 119 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 119 A C 2.063 179.658 177.584 0.019 0.000 1.181 119 A CA 1.646 53.634 52.037 -0.082 0.000 0.627 119 A CB -0.751 18.235 19.000 -0.023 0.000 0.818 119 A HN 0.619 nan 8.150 nan 0.000 0.445 120 F N 0.656 120.690 119.950 0.140 0.000 2.216 120 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 120 F C 1.965 177.923 175.800 0.263 0.000 1.085 120 F CA 1.855 60.030 58.000 0.291 0.000 1.326 120 F CB -0.054 39.027 39.000 0.135 0.000 1.027 120 F HN 0.272 nan 8.300 nan 0.000 0.497 121 D N 0.212 120.840 120.400 0.380 0.000 2.117 121 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 121 D C 2.084 178.500 176.300 0.195 0.000 0.987 121 D CA 1.205 55.450 54.000 0.408 0.000 0.829 121 D CB -0.060 40.995 40.800 0.426 0.000 0.961 121 D HN 0.303 nan 8.370 nan 0.000 0.460 122 E N -0.396 119.843 120.200 0.065 0.000 2.072 122 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 122 E C 2.262 178.835 176.600 -0.044 0.000 0.985 122 E CA 0.456 56.834 56.400 -0.037 0.000 0.801 122 E CB -0.538 29.061 29.700 -0.167 0.000 0.750 122 E HN 0.370 nan 8.360 nan 0.000 0.452 123 F N 1.696 121.590 119.950 -0.094 0.000 2.102 123 F HA -0.164 4.362 4.527 -0.000 0.000 0.298 123 F C 2.657 178.288 175.800 -0.281 0.000 1.105 123 F CA 1.369 59.232 58.000 -0.228 0.000 1.239 123 F CB -1.140 37.574 39.000 -0.476 0.000 0.991 123 F HN -0.021 nan 8.300 nan 0.000 0.474 124 T N -0.467 114.008 114.554 -0.132 0.000 2.699 124 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 124 T C 2.354 177.027 174.700 -0.044 0.000 1.036 124 T CA 1.537 63.564 62.100 -0.122 0.000 1.147 124 T CB -1.121 67.768 68.868 0.034 0.000 0.862 124 T HN 0.442 nan 8.240 nan 0.000 0.446 125 G N 1.268 110.075 108.800 0.012 0.000 2.446 125 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 125 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 125 G C 1.422 176.351 174.900 0.048 0.000 1.168 125 G CA 0.556 45.674 45.100 0.030 0.000 0.771 125 G HN 0.332 nan 8.290 nan 0.000 0.551 126 L N 0.336 121.605 121.223 0.077 0.000 2.056 126 L HA 0.139 4.479 4.340 -0.000 0.000 0.207 126 L C 2.815 179.734 176.870 0.082 0.000 1.078 126 L CA 0.995 55.913 54.840 0.131 0.000 0.749 126 L CB -0.689 41.531 42.059 0.269 0.000 0.901 126 L HN 0.176 nan 8.230 nan 0.000 0.433 127 L N -1.050 120.138 121.223 -0.059 0.000 2.362 127 L HA -0.137 4.202 4.340 -0.000 0.000 0.219 127 L C 1.941 178.698 176.870 -0.189 0.000 1.134 127 L CA 1.419 56.087 54.840 -0.288 0.000 0.807 127 L CB -0.683 41.128 42.059 -0.413 0.000 0.927 127 L HN 0.457 nan 8.230 nan 0.000 0.447 128 T N -5.967 108.560 114.554 -0.044 0.000 3.023 128 T HA 0.016 4.365 4.350 -0.000 0.000 0.253 128 T C 0.677 175.479 174.700 0.171 0.000 1.038 128 T CA -0.361 61.796 62.100 0.095 0.000 0.962 128 T CB -0.021 68.942 68.868 0.158 0.000 1.018 128 T HN -0.029 nan 8.240 nan 0.000 0.521 129 D N 1.804 122.282 120.400 0.130 0.000 2.435 129 D HA 0.496 5.136 4.640 -0.000 0.000 0.230 129 D C 1.385 177.782 176.300 0.162 0.000 1.215 129 D CA -0.166 53.914 54.000 0.133 0.000 0.947 129 D CB 0.806 41.675 40.800 0.115 0.000 1.048 129 D HN 0.269 nan 8.370 nan 0.000 0.512 130 A N 2.894 125.812 122.820 0.163 0.000 2.024 130 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 130 A C 2.208 179.863 177.584 0.118 0.000 1.164 130 A CA 1.821 53.952 52.037 0.156 0.000 0.643 130 A CB -0.475 18.610 19.000 0.141 0.000 0.806 130 A HN 0.599 nan 8.150 nan 0.000 0.451 131 S N -0.574 115.187 115.700 0.102 0.000 2.419 131 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 131 S C 1.707 176.369 174.600 0.103 0.000 1.016 131 S CA 1.422 59.671 58.200 0.081 0.000 0.974 131 S CB -0.489 62.752 63.200 0.068 0.000 0.786 131 S HN 0.235 nan 8.310 nan 0.000 0.492 132 L N 1.492 122.805 121.223 0.151 0.000 2.042 132 L HA 0.145 4.485 4.340 -0.000 0.000 0.210 132 L C 2.249 179.251 176.870 0.220 0.000 1.076 132 L CA 1.444 56.423 54.840 0.231 0.000 0.749 132 L CB -0.935 41.261 42.059 0.228 0.000 0.893 132 L HN 0.409 nan 8.230 nan 0.000 0.432 133 L N -1.681 119.620 121.223 0.131 0.000 2.622 133 L HA -0.092 4.248 4.340 -0.000 0.000 0.233 133 L C 1.859 178.736 176.870 0.011 0.000 1.156 133 L CA 0.416 55.286 54.840 0.050 0.000 0.866 133 L CB -0.661 41.399 42.059 0.002 0.000 0.980 133 L HN 0.235 nan 8.230 nan 0.000 0.448 134 T N -1.079 113.487 114.554 0.019 0.000 3.044 134 T HA 0.052 4.402 4.350 -0.000 0.000 0.255 134 T C 1.927 176.574 174.700 -0.088 0.000 1.073 134 T CA 0.577 62.661 62.100 -0.025 0.000 1.125 134 T CB 0.218 69.081 68.868 -0.008 0.000 0.908 134 T HN 0.209 nan 8.240 nan 0.000 0.480 135 R N -0.503 119.923 120.500 -0.122 0.000 2.250 135 R HA 0.303 4.643 4.340 -0.000 0.000 0.194 135 R C -0.366 175.543 176.300 -0.653 0.000 0.927 135 R CA 0.279 56.141 56.100 -0.396 0.000 1.052 135 R CB 0.255 30.259 30.300 -0.493 0.000 1.055 135 R HN 0.320 nan 8.270 nan 0.000 0.537 136 F N 0.282 120.194 119.950 -0.064 0.000 2.546 136 F HA 0.326 4.853 4.527 -0.000 0.000 0.320 136 F C 1.183 176.889 175.800 -0.157 0.000 1.076 136 F CA -0.963 56.984 58.000 -0.088 0.000 0.928 136 F CB 1.715 40.672 39.000 -0.070 0.000 1.189 136 F HN -0.281 nan 8.300 nan 0.000 0.465 137 D N -0.178 120.214 120.400 -0.014 0.000 2.183 137 D HA -0.006 4.634 4.640 -0.000 0.000 0.205 137 D C -0.060 175.869 176.300 -0.619 0.000 0.962 137 D CA 1.401 55.203 54.000 -0.331 0.000 0.849 137 D CB 0.126 40.725 40.800 -0.335 0.000 0.978 137 D HN 0.548 nan 8.370 nan 0.000 0.488 138 H N -1.367 117.714 119.070 0.019 0.000 2.930 138 H HA 0.507 5.063 4.556 -0.000 0.000 0.371 138 H C -0.665 174.606 175.328 -0.095 0.000 1.169 138 H CA -0.570 55.446 56.048 -0.053 0.000 1.157 138 H CB 2.235 31.973 29.762 -0.040 0.000 1.789 138 H HN -0.212 nan 8.280 nan 0.000 0.547 139 I N 3.609 124.173 120.570 -0.010 0.000 2.418 139 I HA 0.342 4.512 4.170 -0.000 0.000 0.287 139 I C -0.619 175.341 176.117 -0.262 0.000 1.008 139 I CA -0.439 60.736 61.300 -0.209 0.000 1.104 139 I CB 1.360 39.286 38.000 -0.123 0.000 1.264 139 I HN 0.352 nan 8.210 nan 0.000 0.438 140 I N 5.982 126.337 120.570 -0.359 0.000 2.404 140 I HA 0.422 4.591 4.170 -0.000 0.000 0.293 140 I C -0.917 174.975 176.117 -0.376 0.000 0.992 140 I CA -0.476 60.702 61.300 -0.203 0.000 1.149 140 I CB 1.354 39.364 38.000 0.016 0.000 1.315 140 I HN 0.334 nan 8.210 nan 0.000 0.446 141 F N 3.464 123.365 119.950 -0.082 0.000 2.482 141 F HA 0.239 4.766 4.527 -0.000 0.000 0.331 141 F C 0.834 176.772 175.800 0.230 0.000 1.115 141 F CA -0.832 57.185 58.000 0.030 0.000 0.955 141 F CB 1.309 40.268 39.000 -0.069 0.000 1.136 141 F HN 0.506 nan 8.300 nan 0.000 0.452 142 D N -0.218 120.404 120.400 0.369 0.000 2.336 142 D HA 0.080 4.720 4.640 -0.000 0.000 0.228 142 D C 0.114 176.605 176.300 0.319 0.000 1.120 142 D CA 0.145 54.320 54.000 0.292 0.000 0.839 142 D CB -0.347 40.523 40.800 0.118 0.000 0.932 142 D HN 0.532 nan 8.370 nan 0.000 0.509 143 T N -4.226 110.587 114.554 0.432 0.000 2.792 143 T HA 0.755 5.105 4.350 -0.000 0.000 0.303 143 T C -1.248 173.704 174.700 0.420 0.000 1.310 143 T CA -0.732 61.593 62.100 0.376 0.000 1.007 143 T CB 1.699 70.781 68.868 0.357 0.000 1.335 143 T HN 0.232 nan 8.240 nan 0.000 0.504 144 A N 1.187 124.132 122.820 0.208 0.000 2.556 144 A HA 0.957 5.276 4.320 -0.000 0.000 0.294 144 A C -2.935 174.549 177.584 -0.167 0.000 1.091 144 A CA -1.662 50.301 52.037 -0.122 0.000 0.704 144 A CB 0.898 19.820 19.000 -0.129 0.000 1.300 144 A HN 0.806 nan 8.150 nan 0.000 0.406 145 P HA 0.359 nan 4.420 nan 0.000 0.274 145 P C 0.067 177.324 177.300 -0.072 0.000 1.256 145 P CA 0.133 63.181 63.100 -0.087 0.000 0.795 145 P CB 0.515 32.229 31.700 0.024 0.000 1.038 146 T N -3.854 110.691 114.554 -0.015 0.000 2.912 146 T HA 0.414 4.764 4.350 -0.000 0.000 0.280 146 T C 1.625 176.297 174.700 -0.046 0.000 0.989 146 T CA -0.101 61.987 62.100 -0.018 0.000 0.995 146 T CB 0.777 69.662 68.868 0.028 0.000 1.077 146 T HN 0.435 nan 8.240 nan 0.000 0.531 147 G N -0.318 108.463 108.800 -0.031 0.000 2.422 147 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 147 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 147 G C 1.346 176.227 174.900 -0.032 0.000 1.146 147 G CA 1.161 46.234 45.100 -0.044 0.000 0.769 147 G HN 1.010 nan 8.290 nan 0.000 0.547 148 H N 0.838 119.851 119.070 -0.096 0.000 2.321 148 H HA -0.060 4.496 4.556 -0.000 0.000 0.300 148 H C 2.644 177.883 175.328 -0.148 0.000 1.087 148 H CA 2.285 58.271 56.048 -0.104 0.000 1.319 148 H CB -0.522 29.191 29.762 -0.082 0.000 1.379 148 H HN 0.218 nan 8.280 nan 0.000 0.501 149 T N 0.862 115.228 114.554 -0.313 0.000 2.684 149 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 149 T C 2.254 176.631 174.700 -0.538 0.000 1.036 149 T CA 1.758 63.582 62.100 -0.461 0.000 1.148 149 T CB -0.336 68.362 68.868 -0.284 0.000 0.863 149 T HN 0.298 nan 8.240 nan 0.000 0.436 150 I N 0.643 120.966 120.570 -0.412 0.000 2.163 150 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 150 I C 2.807 178.752 176.117 -0.286 0.000 1.085 150 I CA 1.418 62.482 61.300 -0.393 0.000 1.347 150 I CB -0.360 37.527 38.000 -0.189 0.000 1.044 150 I HN 0.136 nan 8.210 nan 0.000 0.408 151 R N 0.547 120.918 120.500 -0.215 0.000 2.081 151 R HA -0.140 4.199 4.340 -0.000 0.000 0.235 151 R C 2.364 178.549 176.300 -0.192 0.000 1.131 151 R CA 1.265 57.275 56.100 -0.151 0.000 0.960 151 R CB -0.495 29.751 30.300 -0.090 0.000 0.856 151 R HN 0.348 nan 8.270 nan 0.000 0.436 152 L N 0.603 121.641 121.223 -0.308 0.000 2.013 152 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 152 L C 2.329 179.028 176.870 -0.285 0.000 1.073 152 L CA 1.377 56.022 54.840 -0.327 0.000 0.753 152 L CB -0.377 41.404 42.059 -0.464 0.000 0.890 152 L HN 0.211 nan 8.230 nan 0.000 0.432 153 L N -0.526 120.502 121.223 -0.325 0.000 2.291 153 L HA -0.180 4.160 4.340 -0.000 0.000 0.214 153 L C 2.557 179.459 176.870 0.054 0.000 1.120 153 L CA 0.864 55.581 54.840 -0.206 0.000 0.799 153 L CB -0.313 41.512 42.059 -0.391 0.000 0.925 153 L HN 0.445 nan 8.230 nan 0.000 0.446 154 Q N -0.256 119.540 119.800 -0.007 0.000 2.360 154 Q HA 0.083 4.423 4.340 -0.000 0.000 0.202 154 Q C 0.477 176.529 176.000 0.087 0.000 0.915 154 Q CA 0.064 55.909 55.803 0.070 0.000 0.943 154 Q CB 0.075 28.823 28.738 0.017 0.000 1.064 154 Q HN 0.406 nan 8.270 nan 0.000 0.511 155 L N 2.584 123.834 121.223 0.045 0.000 2.360 155 L HA 0.171 4.511 4.340 -0.000 0.000 0.276 155 L C -1.664 175.277 176.870 0.118 0.000 1.121 155 L CA -1.756 53.104 54.840 0.034 0.000 0.845 155 L CB 0.761 42.793 42.059 -0.045 0.000 1.143 155 L HN -0.095 nan 8.230 nan 0.000 0.452 156 P HA -0.165 nan 4.420 nan 0.000 0.216 156 P C 1.521 178.900 177.300 0.131 0.000 1.153 156 P CA 1.274 64.482 63.100 0.180 0.000 0.858 156 P CB 0.214 31.974 31.700 0.099 0.000 0.789 157 G N -0.016 108.800 108.800 0.027 0.000 2.485 157 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.221 157 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.221 157 G C 1.570 176.374 174.900 -0.160 0.000 1.115 157 G CA 0.845 45.919 45.100 -0.043 0.000 0.751 157 G HN 0.352 nan 8.290 nan 0.000 0.567 158 A N -0.320 122.345 122.820 -0.258 0.000 2.067 158 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 158 A C 1.482 178.559 177.584 -0.844 0.000 1.158 158 A CA 0.752 52.435 52.037 -0.591 0.000 0.661 158 A CB -0.405 18.146 19.000 -0.748 0.000 0.801 158 A HN 0.514 nan 8.150 nan 0.000 0.452 159 W N -0.150 121.097 121.300 -0.088 0.000 2.764 159 W HA 0.390 5.050 4.660 -0.000 0.000 0.427 159 W C 0.937 177.426 176.519 -0.051 0.000 0.896 159 W CA 0.435 57.743 57.345 -0.062 0.000 2.307 159 W CB 0.210 29.662 29.460 -0.012 0.000 1.192 159 W HN 0.405 nan 8.180 nan 0.000 0.731 160 S N -2.457 113.227 115.700 -0.026 0.000 2.585 160 S HA 0.122 4.591 4.470 -0.000 0.000 0.201 160 S C -0.227 174.366 174.600 -0.012 0.000 0.826 160 S CA -0.486 57.745 58.200 0.051 0.000 1.552 160 S CB -0.771 62.510 63.200 0.135 0.000 1.270 160 S HN -0.147 nan 8.310 nan 0.000 0.586 161 S N 1.416 116.955 115.700 -0.268 0.000 2.501 161 S HA 0.845 5.315 4.470 -0.000 0.000 0.301 161 S C -1.310 172.974 174.600 -0.527 0.000 1.096 161 S CA -0.393 57.687 58.200 -0.200 0.000 1.063 161 S CB 0.712 63.828 63.200 -0.141 0.000 1.042 161 S HN 0.360 nan 8.310 nan 0.000 0.494 162 F N 1.905 121.837 119.950 -0.030 0.000 2.536 162 F HA 0.587 5.113 4.527 -0.000 0.000 0.322 162 F C 0.096 175.879 175.800 -0.028 0.000 1.144 162 F CA -0.734 57.249 58.000 -0.029 0.000 0.924 162 F CB 0.774 39.763 39.000 -0.018 0.000 1.181 162 F HN 0.342 nan 8.300 nan 0.000 0.438 171 S N 0.442 116.166 115.700 0.041 0.000 2.541 171 S HA 0.593 5.063 4.470 -0.000 0.000 0.271 171 S C -0.251 174.377 174.600 0.047 0.000 1.133 171 S CA -0.046 58.178 58.200 0.040 0.000 0.876 171 S CB 1.357 64.569 63.200 0.020 0.000 1.105 171 S HN 1.327 nan 8.310 nan 0.000 0.470 172 C N 4.536 123.863 119.300 0.046 0.000 2.863 172 C HA 0.405 4.865 4.460 -0.000 0.000 0.284 172 C C 1.683 176.672 174.990 -0.001 0.000 1.426 172 C CA -0.349 58.697 59.018 0.047 0.000 1.782 172 C CB -1.887 25.893 27.740 0.066 0.000 2.554 172 C HN 0.823 nan 8.230 nan 0.000 0.566 173 L N 0.795 122.005 121.223 -0.021 0.000 2.492 173 L HA 0.111 4.451 4.340 -0.000 0.000 0.223 173 L C 2.604 179.434 176.870 -0.067 0.000 1.132 173 L CA 0.951 55.749 54.840 -0.069 0.000 0.850 173 L CB -0.516 41.490 42.059 -0.087 0.000 0.966 173 L HN 0.572 nan 8.230 nan 0.000 0.454 174 G N 1.595 110.380 108.800 -0.025 0.000 2.505 174 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 174 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 174 G C -0.688 174.219 174.900 0.011 0.000 1.145 174 G CA 0.766 45.863 45.100 -0.005 0.000 0.761 174 G HN 0.322 nan 8.290 nan 0.000 0.571 175 P HA -0.133 nan 4.420 nan 0.000 0.216 175 P C 2.188 179.563 177.300 0.126 0.000 1.150 175 P CA 1.249 64.384 63.100 0.057 0.000 0.843 175 P CB -0.057 31.571 31.700 -0.120 0.000 0.787 176 M N -0.699 118.869 119.600 -0.053 0.000 2.108 176 M HA -0.174 4.305 4.480 -0.000 0.000 0.257 176 M C 2.124 178.359 176.300 -0.108 0.000 1.071 176 M CA 2.096 57.303 55.300 -0.155 0.000 1.093 176 M CB -2.232 30.191 32.600 -0.295 0.000 1.345 176 M HN -0.080 nan 8.290 nan 0.000 0.403 177 A N 0.280 123.059 122.820 -0.068 0.000 2.032 177 A HA -0.060 4.260 4.320 -0.000 0.000 0.221 177 A C 2.355 179.905 177.584 -0.056 0.000 1.165 177 A CA 1.979 53.980 52.037 -0.060 0.000 0.645 177 A CB -1.370 17.613 19.000 -0.027 0.000 0.807 177 A HN 0.592 nan 8.150 nan 0.000 0.453 178 G N -1.089 107.689 108.800 -0.037 0.000 2.985 178 G HA2 0.328 4.288 3.960 -0.000 0.000 0.209 178 G HA3 0.328 4.288 3.960 -0.000 0.000 0.209 178 G C 0.455 175.067 174.900 -0.480 0.000 1.165 178 G CA -0.458 44.397 45.100 -0.409 0.000 0.776 178 G HN 0.415 nan 8.290 nan 0.000 0.541 179 L N 1.456 122.659 121.223 -0.034 0.000 2.700 179 L HA -0.033 4.306 4.340 -0.000 0.000 0.272 179 L C 1.802 178.784 176.870 0.186 0.000 1.176 179 L CA -0.047 54.889 54.840 0.160 0.000 0.961 179 L CB 0.547 42.697 42.059 0.151 0.000 1.249 179 L HN 0.387 nan 8.230 nan 0.000 0.487 180 E N 4.050 124.371 120.200 0.201 0.000 2.051 180 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 180 E C 0.413 177.131 176.600 0.196 0.000 0.991 180 E CA 1.063 57.550 56.400 0.146 0.000 0.799 180 E CB 0.372 30.146 29.700 0.124 0.000 0.748 180 E HN 0.570 nan 8.360 nan 0.000 0.449 181 K N 0.707 121.284 120.400 0.295 0.000 2.127 181 K HA 0.173 4.493 4.320 -0.000 0.000 0.240 181 K C 0.031 176.719 176.600 0.146 0.000 1.024 181 K CA -0.781 55.551 56.287 0.075 0.000 0.918 181 K CB 0.695 33.025 32.500 -0.283 0.000 1.108 181 K HN -0.020 nan 8.250 nan 0.000 0.485 182 Q N 1.455 121.231 119.800 -0.040 0.000 2.340 182 Q HA 0.017 4.357 4.340 -0.000 0.000 0.249 182 Q C 0.988 176.875 176.000 -0.188 0.000 0.957 182 Q CA 0.372 56.138 55.803 -0.061 0.000 0.882 182 Q CB 1.177 29.859 28.738 -0.095 0.000 1.235 182 Q HN 0.563 nan 8.270 nan 0.000 0.439 183 R N 1.871 122.116 120.500 -0.425 0.000 2.133 183 R HA -0.247 4.093 4.340 -0.000 0.000 0.247 183 R C 0.983 177.084 176.300 -0.331 0.000 1.151 183 R CA 2.053 57.681 56.100 -0.787 0.000 0.971 183 R CB 0.278 29.744 30.300 -1.391 0.000 0.866 183 R HN 0.541 nan 8.270 nan 0.000 0.447 184 E N 0.558 120.605 120.200 -0.255 0.000 2.085 184 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 184 E C 2.047 178.600 176.600 -0.077 0.000 0.994 184 E CA 1.489 57.800 56.400 -0.148 0.000 0.801 184 E CB -0.153 29.461 29.700 -0.142 0.000 0.743 184 E HN 0.476 nan 8.360 nan 0.000 0.453 185 Q N -0.893 118.817 119.800 -0.150 0.000 2.170 185 Q HA -0.158 4.182 4.340 -0.000 0.000 0.203 185 Q C 1.798 177.749 176.000 -0.083 0.000 0.976 185 Q CA 1.297 57.025 55.803 -0.124 0.000 0.858 185 Q CB -0.150 28.422 28.738 -0.277 0.000 0.907 185 Q HN 0.489 nan 8.270 nan 0.000 0.433 186 Y N -0.383 120.004 120.300 0.146 0.000 2.220 186 Y HA -0.125 4.425 4.550 -0.000 0.000 0.291 186 Y C 2.445 178.463 175.900 0.197 0.000 1.129 186 Y CA 0.585 58.833 58.100 0.247 0.000 1.161 186 Y CB -0.227 38.432 38.460 0.331 0.000 0.997 186 Y HN 0.123 nan 8.280 nan 0.000 0.522 187 A N -0.234 122.731 122.820 0.242 0.000 1.902 187 A HA -0.256 4.063 4.320 -0.000 0.000 0.217 187 A C 2.048 179.746 177.584 0.191 0.000 1.181 187 A CA 1.598 53.735 52.037 0.167 0.000 0.623 187 A CB -1.366 17.679 19.000 0.076 0.000 0.818 187 A HN 0.667 nan 8.150 nan 0.000 0.443 188 Y N 0.283 120.598 120.300 0.025 0.000 2.114 188 Y HA -0.171 4.379 4.550 0.000 0.000 0.284 188 Y C 2.753 178.665 175.900 0.020 0.000 1.143 188 Y CA 1.350 59.455 58.100 0.009 0.000 1.135 188 Y CB -0.285 38.163 38.460 -0.020 0.000 0.980 188 Y HN 0.361 nan 8.280 nan 0.000 0.499 189 A N -0.311 122.498 122.820 -0.019 0.000 1.917 189 A HA -0.244 4.075 4.320 -0.000 0.000 0.219 189 A C 2.226 179.763 177.584 -0.078 0.000 1.182 189 A CA 2.215 54.161 52.037 -0.152 0.000 0.633 189 A CB -1.385 17.572 19.000 -0.071 0.000 0.819 189 A HN 0.393 nan 8.150 nan 0.000 0.448 190 V N -0.051 119.918 119.914 0.093 0.000 2.407 190 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 190 V C 2.379 178.480 176.094 0.012 0.000 1.055 190 V CA 2.280 64.630 62.300 0.083 0.000 1.049 190 V CB -0.864 31.035 31.823 0.127 0.000 0.662 190 V HN 0.659 nan 8.190 nan 0.000 0.455 191 E N 0.403 120.619 120.200 0.027 0.000 2.077 191 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 191 E C 2.333 178.923 176.600 -0.017 0.000 0.989 191 E CA 1.267 57.686 56.400 0.032 0.000 0.800 191 E CB -0.353 29.410 29.700 0.104 0.000 0.746 191 E HN 0.604 nan 8.360 nan 0.000 0.452 192 A N 1.076 123.827 122.820 -0.115 0.000 1.933 192 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 192 A C 2.159 179.707 177.584 -0.060 0.000 1.175 192 A CA 1.049 53.011 52.037 -0.124 0.000 0.628 192 A CB -0.528 18.281 19.000 -0.319 0.000 0.814 192 A HN 0.137 nan 8.150 nan 0.000 0.444 193 L N -0.489 120.663 121.223 -0.119 0.000 2.156 193 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 193 L C 2.349 179.182 176.870 -0.062 0.000 1.095 193 L CA 1.312 56.068 54.840 -0.140 0.000 0.770 193 L CB -0.175 41.734 42.059 -0.249 0.000 0.914 193 L HN 0.294 nan 8.230 nan 0.000 0.439 194 S N -1.648 114.032 115.700 -0.033 0.000 2.562 194 S HA -0.038 4.431 4.470 -0.000 0.000 0.221 194 S C 0.464 175.078 174.600 0.022 0.000 0.975 194 S CA -0.001 58.194 58.200 -0.008 0.000 0.918 194 S CB -0.242 62.956 63.200 -0.004 0.000 0.772 194 S HN 0.284 nan 8.310 nan 0.000 0.531 195 D N 2.608 123.031 120.400 0.039 0.000 2.380 195 D HA 0.179 4.819 4.640 -0.000 0.000 0.230 195 D C -1.380 174.967 176.300 0.079 0.000 1.154 195 D CA -2.407 51.629 54.000 0.060 0.000 0.859 195 D CB 1.295 42.137 40.800 0.071 0.000 1.045 195 D HN 0.027 nan 8.370 nan 0.000 0.495 196 P HA -0.164 nan 4.420 nan 0.000 0.221 196 P C 0.696 178.051 177.300 0.091 0.000 1.145 196 P CA 0.942 64.095 63.100 0.088 0.000 0.795 196 P CB 0.392 32.139 31.700 0.079 0.000 0.775 197 K N -0.610 119.837 120.400 0.078 0.000 2.432 197 K HA 0.020 4.340 4.320 -0.000 0.000 0.196 197 K C 2.322 178.965 176.600 0.072 0.000 1.038 197 K CA 0.609 56.937 56.287 0.068 0.000 0.986 197 K CB 0.028 32.561 32.500 0.055 0.000 0.782 197 K HN 0.088 nan 8.250 nan 0.000 0.485 198 R N -0.740 119.826 120.500 0.111 0.000 2.257 198 R HA 0.117 4.457 4.340 -0.000 0.000 0.195 198 R C -0.033 176.426 176.300 0.265 0.000 0.921 198 R CA 0.570 56.766 56.100 0.159 0.000 1.069 198 R CB 1.078 31.526 30.300 0.247 0.000 1.115 198 R HN -0.084 nan 8.270 nan 0.000 0.571 199 T N 0.632 115.332 114.554 0.242 0.000 2.861 199 T HA 0.400 4.749 4.350 -0.000 0.000 0.287 199 T C -1.161 173.657 174.700 0.196 0.000 1.003 199 T CA -0.589 61.683 62.100 0.287 0.000 0.977 199 T CB 2.555 71.578 68.868 0.258 0.000 0.996 199 T HN 0.027 nan 8.240 nan 0.000 0.448 200 R N 2.889 123.507 120.500 0.197 0.000 2.599 200 R HA 0.631 4.971 4.340 -0.000 0.000 0.295 200 R C -1.586 174.779 176.300 0.108 0.000 0.963 200 R CA -0.858 55.315 56.100 0.121 0.000 0.883 200 R CB 0.999 31.305 30.300 0.011 0.000 1.171 200 R HN 0.390 nan 8.270 nan 0.000 0.450 201 L N 5.876 127.155 121.223 0.092 0.000 2.333 201 L HA 0.489 4.829 4.340 -0.000 0.000 0.280 201 L C -1.430 175.437 176.870 -0.004 0.000 1.004 201 L CA -0.616 54.247 54.840 0.038 0.000 0.820 201 L CB 1.882 43.960 42.059 0.031 0.000 1.247 201 L HN 0.472 nan 8.230 nan 0.000 0.416 202 V N 6.483 126.290 119.914 -0.178 0.000 2.347 202 V HA 0.367 4.487 4.120 -0.000 0.000 0.280 202 V C 0.273 176.336 176.094 -0.052 0.000 1.021 202 V CA -0.585 61.602 62.300 -0.187 0.000 0.847 202 V CB 1.689 33.162 31.823 -0.584 0.000 0.990 202 V HN 0.579 nan 8.190 nan 0.000 0.444 203 L N 6.072 127.298 121.223 0.005 0.000 2.281 203 L HA 0.478 4.818 4.340 -0.000 0.000 0.285 203 L C -0.267 176.617 176.870 0.024 0.000 1.074 203 L CA -0.325 54.531 54.840 0.027 0.000 0.817 203 L CB 1.212 43.283 42.059 0.019 0.000 1.168 203 L HN 0.345 nan 8.230 nan 0.000 0.434 204 V N 2.957 122.902 119.914 0.052 0.000 2.472 204 V HA 0.864 4.984 4.120 -0.000 0.000 0.290 204 V C 0.315 176.418 176.094 0.016 0.000 1.037 204 V CA -0.283 62.037 62.300 0.034 0.000 0.908 204 V CB 1.328 33.189 31.823 0.063 0.000 0.985 204 V HN 0.947 nan 8.190 nan 0.000 0.454 205 A N 5.352 128.170 122.820 -0.004 0.000 2.533 205 A HA 0.942 5.262 4.320 -0.000 0.000 0.293 205 A C -0.990 176.585 177.584 -0.014 0.000 1.228 205 A CA -0.912 51.120 52.037 -0.007 0.000 0.689 205 A CB 1.871 20.864 19.000 -0.011 0.000 1.303 205 A HN 0.617 nan 8.150 nan 0.000 0.444 206 R N -0.338 120.154 120.500 -0.013 0.000 2.854 206 R HA 0.469 4.809 4.340 -0.000 0.000 0.271 206 R C -1.119 175.169 176.300 -0.021 0.000 0.994 206 R CA -0.777 55.315 56.100 -0.014 0.000 0.945 206 R CB 1.478 31.775 30.300 -0.005 0.000 1.194 206 R HN 0.606 nan 8.270 nan 0.000 0.476 207 L N 2.837 124.044 121.223 -0.026 0.000 2.376 207 L HA 0.103 4.443 4.340 -0.000 0.000 0.250 207 L C 0.098 176.948 176.870 -0.034 0.000 1.335 207 L CA 0.460 55.277 54.840 -0.039 0.000 1.214 207 L CB -0.173 41.853 42.059 -0.055 0.000 1.395 207 L HN 0.219 nan 8.230 nan 0.000 0.424 208 Q N 1.752 121.537 119.800 -0.026 0.000 2.263 208 Q HA 0.084 4.423 4.340 -0.000 0.000 0.266 208 Q C 0.333 176.321 176.000 -0.019 0.000 1.002 208 Q CA -0.366 55.425 55.803 -0.020 0.000 0.790 208 Q CB 2.363 31.095 28.738 -0.011 0.000 1.272 208 Q HN 0.387 nan 8.270 nan 0.000 0.435 209 K N 1.390 121.778 120.400 -0.020 0.000 2.107 209 K HA -0.245 4.074 4.320 -0.000 0.000 0.211 209 K C 1.567 178.160 176.600 -0.011 0.000 1.049 209 K CA 2.236 58.513 56.287 -0.017 0.000 0.927 209 K CB 0.176 32.667 32.500 -0.015 0.000 0.714 209 K HN 0.507 nan 8.250 nan 0.000 0.452 210 S N -0.661 115.034 115.700 -0.008 0.000 2.343 210 S HA -0.134 4.336 4.470 -0.000 0.000 0.219 210 S C 1.836 176.433 174.600 -0.005 0.000 1.033 210 S CA 2.018 60.215 58.200 -0.005 0.000 1.014 210 S CB -0.498 62.699 63.200 -0.005 0.000 0.915 210 S HN 0.470 nan 8.310 nan 0.000 0.435 211 T N 3.502 118.053 114.554 -0.006 0.000 2.665 211 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 211 T C 1.765 176.463 174.700 -0.004 0.000 1.035 211 T CA 1.384 63.482 62.100 -0.004 0.000 1.151 211 T CB -0.451 68.413 68.868 -0.005 0.000 0.862 211 T HN 0.191 nan 8.240 nan 0.000 0.438 212 L N 1.248 122.466 121.223 -0.009 0.000 2.043 212 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 212 L C 2.573 179.442 176.870 -0.002 0.000 1.075 212 L CA 1.828 56.662 54.840 -0.010 0.000 0.752 212 L CB -1.390 40.657 42.059 -0.018 0.000 0.891 212 L HN 0.452 nan 8.230 nan 0.000 0.432 213 Q N -0.965 118.834 119.800 -0.000 0.000 2.119 213 Q HA -0.234 4.106 4.340 -0.000 0.000 0.201 213 Q C 2.107 178.114 176.000 0.011 0.000 0.972 213 Q CA 1.292 57.099 55.803 0.006 0.000 0.847 213 Q CB 0.039 28.780 28.738 0.006 0.000 0.903 213 Q HN 0.327 nan 8.270 nan 0.000 0.433 214 E N 0.224 120.428 120.200 0.008 0.000 2.072 214 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 214 E C 1.835 178.445 176.600 0.016 0.000 0.985 214 E CA 0.818 57.224 56.400 0.009 0.000 0.801 214 E CB -0.061 29.641 29.700 0.004 0.000 0.750 214 E HN 0.092 nan 8.360 nan 0.000 0.452 215 V N 0.772 120.696 119.914 0.017 0.000 2.515 215 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 215 V C 2.316 178.440 176.094 0.050 0.000 1.058 215 V CA 1.630 63.947 62.300 0.027 0.000 1.064 215 V CB -0.877 30.954 31.823 0.014 0.000 0.675 215 V HN 0.393 nan 8.190 nan 0.000 0.461 216 A N 0.111 122.956 122.820 0.043 0.000 1.902 216 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 216 A C 2.373 180.007 177.584 0.085 0.000 1.181 216 A CA 2.117 54.197 52.037 0.071 0.000 0.623 216 A CB -0.530 18.495 19.000 0.042 0.000 0.818 216 A HN 0.478 nan 8.150 nan 0.000 0.443 217 R N -1.002 119.524 120.500 0.042 0.000 2.081 217 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 217 R C 2.173 178.480 176.300 0.010 0.000 1.131 217 R CA 1.981 58.092 56.100 0.019 0.000 0.960 217 R CB -0.561 29.745 30.300 0.011 0.000 0.856 217 R HN 0.483 nan 8.270 nan 0.000 0.436 218 T N -0.516 114.054 114.554 0.028 0.000 2.788 218 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 218 T C 1.374 176.092 174.700 0.029 0.000 1.044 218 T CA 1.716 63.828 62.100 0.021 0.000 1.139 218 T CB -0.370 68.517 68.868 0.031 0.000 0.867 218 T HN 0.492 nan 8.240 nan 0.000 0.454 219 H N 1.087 120.146 119.070 -0.019 0.000 2.326 219 H HA 0.104 4.660 4.556 -0.000 0.000 0.301 219 H C 1.995 177.308 175.328 -0.024 0.000 1.081 219 H CA 1.330 57.364 56.048 -0.022 0.000 1.334 219 H CB -0.618 29.131 29.762 -0.022 0.000 1.385 219 H HN 0.266 nan 8.280 nan 0.000 0.504 220 L N 0.064 121.109 121.223 -0.298 0.000 2.083 220 L HA -0.120 4.219 4.340 -0.000 0.000 0.209 220 L C 2.591 179.335 176.870 -0.210 0.000 1.083 220 L CA 1.597 56.245 54.840 -0.320 0.000 0.752 220 L CB -0.400 41.575 42.059 -0.140 0.000 0.899 220 L HN 0.433 nan 8.230 nan 0.000 0.433 221 E N 0.136 120.260 120.200 -0.126 0.000 2.051 221 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 221 E C 2.361 178.901 176.600 -0.100 0.000 0.991 221 E CA 1.101 57.447 56.400 -0.089 0.000 0.799 221 E CB -0.070 29.599 29.700 -0.053 0.000 0.748 221 E HN 0.453 nan 8.360 nan 0.000 0.449 222 L N 0.344 121.505 121.223 -0.103 0.000 2.093 222 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 222 L C 2.593 179.400 176.870 -0.105 0.000 1.085 222 L CA 0.899 55.683 54.840 -0.093 0.000 0.755 222 L CB -0.475 41.544 42.059 -0.066 0.000 0.904 222 L HN 0.140 nan 8.230 nan 0.000 0.435 223 A N 0.207 122.926 122.820 -0.169 0.000 1.902 223 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 223 A C 2.544 180.061 177.584 -0.111 0.000 1.181 223 A CA 1.596 53.540 52.037 -0.154 0.000 0.623 223 A CB -0.654 18.172 19.000 -0.289 0.000 0.818 223 A HN 0.388 nan 8.150 nan 0.000 0.443 224 A N -0.295 122.453 122.820 -0.121 0.000 1.978 224 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 224 A C 1.981 179.529 177.584 -0.061 0.000 1.170 224 A CA 1.588 53.576 52.037 -0.083 0.000 0.636 224 A CB -0.565 18.387 19.000 -0.080 0.000 0.810 224 A HN 0.520 nan 8.150 nan 0.000 0.448 225 I N -1.958 118.573 120.570 -0.064 0.000 3.226 225 I HA 0.118 4.288 4.170 -0.000 0.000 0.277 225 I C 1.692 177.784 176.117 -0.042 0.000 1.243 225 I CA 0.878 62.146 61.300 -0.052 0.000 1.459 225 I CB 0.188 38.151 38.000 -0.062 0.000 1.093 225 I HN 0.493 nan 8.210 nan 0.000 0.453 226 G N 0.717 109.492 108.800 -0.042 0.000 2.227 226 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.168 226 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.168 226 G C -0.044 174.843 174.900 -0.022 0.000 1.006 226 G CA -0.672 44.412 45.100 -0.026 0.000 0.684 226 G HN 0.076 nan 8.290 nan 0.000 0.489 227 L N 1.692 122.893 121.223 -0.036 0.000 2.358 227 L HA 0.477 4.817 4.340 -0.000 0.000 0.274 227 L C 1.222 178.095 176.870 0.005 0.000 1.136 227 L CA 0.344 55.169 54.840 -0.024 0.000 0.970 227 L CB 0.947 42.972 42.059 -0.057 0.000 1.314 227 L HN 0.168 nan 8.230 nan 0.000 0.427 228 K N 0.843 121.258 120.400 0.025 0.000 2.372 228 K HA 0.149 4.469 4.320 -0.000 0.000 0.200 228 K C 0.519 177.161 176.600 0.070 0.000 1.022 228 K CA -0.007 56.309 56.287 0.047 0.000 1.125 228 K CB 0.279 32.797 32.500 0.030 0.000 0.855 228 K HN 0.418 nan 8.250 nan 0.000 0.524 229 N N 2.217 120.969 118.700 0.088 0.000 3.105 229 N HA 0.052 4.792 4.740 -0.000 0.000 0.256 229 N C -1.072 174.552 175.510 0.191 0.000 1.174 229 N CA -0.083 53.050 53.050 0.139 0.000 1.030 229 N CB 0.389 38.968 38.487 0.154 0.000 1.305 229 N HN 0.116 nan 8.380 nan 0.000 0.509 230 Q N 1.819 121.700 119.800 0.136 0.000 2.365 230 Q HA 0.346 4.685 4.340 -0.000 0.000 0.269 230 Q C -1.581 174.438 176.000 0.030 0.000 1.061 230 Q CA -0.665 55.225 55.803 0.145 0.000 0.816 230 Q CB 2.092 30.897 28.738 0.113 0.000 1.325 230 Q HN 0.415 nan 8.270 nan 0.000 0.446 231 Y N 0.722 121.007 120.300 -0.025 0.000 2.462 231 Y HA 0.493 5.043 4.550 -0.000 0.000 0.346 231 Y C -0.846 175.019 175.900 -0.060 0.000 0.976 231 Y CA -1.033 57.053 58.100 -0.022 0.000 1.044 231 Y CB 1.538 40.019 38.460 0.035 0.000 1.230 231 Y HN 0.474 nan 8.280 nan 0.000 0.455 232 L N 3.417 124.668 121.223 0.046 0.000 2.287 232 L HA 0.769 5.109 4.340 -0.000 0.000 0.287 232 L C -1.437 175.437 176.870 0.007 0.000 1.022 232 L CA -0.582 54.255 54.840 -0.007 0.000 0.814 232 L CB 1.134 43.157 42.059 -0.060 0.000 1.217 232 L HN 0.418 nan 8.230 nan 0.000 0.420 233 V N 7.057 126.950 119.914 -0.036 0.000 2.350 233 V HA 0.422 4.542 4.120 -0.000 0.000 0.285 233 V C 0.080 176.143 176.094 -0.051 0.000 1.014 233 V CA -0.421 61.838 62.300 -0.068 0.000 0.831 233 V CB 1.482 33.172 31.823 -0.222 0.000 1.000 233 V HN 0.601 nan 8.190 nan 0.000 0.433 234 I N 5.255 125.798 120.570 -0.046 0.000 2.301 234 I HA 0.308 4.478 4.170 -0.000 0.000 0.292 234 I C 0.550 176.634 176.117 -0.056 0.000 1.046 234 I CA 0.202 61.472 61.300 -0.049 0.000 1.282 234 I CB 0.500 38.467 38.000 -0.056 0.000 1.409 234 I HN 0.636 nan 8.210 nan 0.000 0.484 235 N N 3.879 122.555 118.700 -0.040 0.000 2.482 235 N HA 0.293 5.033 4.740 -0.000 0.000 0.279 235 N C 0.965 176.470 175.510 -0.009 0.000 1.182 235 N CA 0.257 53.289 53.050 -0.030 0.000 0.969 235 N CB 1.406 39.877 38.487 -0.026 0.000 1.201 235 N HN 0.826 nan 8.380 nan 0.000 0.523 236 G N 0.361 109.170 108.800 0.015 0.000 2.212 236 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.267 236 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.267 236 G C 0.113 175.058 174.900 0.075 0.000 1.002 236 G CA 0.352 45.481 45.100 0.048 0.000 0.729 236 G HN 0.434 nan 8.290 nan 0.000 0.517 237 V N 0.580 120.532 119.914 0.064 0.000 2.673 237 V HA 0.236 4.355 4.120 -0.000 0.000 0.303 237 V C 1.056 177.312 176.094 0.270 0.000 1.046 237 V CA -0.004 62.358 62.300 0.104 0.000 1.126 237 V CB 1.372 33.194 31.823 -0.002 0.000 0.934 237 V HN 0.451 nan 8.190 nan 0.000 0.487 238 L N 9.352 130.730 121.223 0.259 0.000 2.315 238 L HA 0.421 4.761 4.340 -0.000 0.000 0.283 238 L C -1.891 175.259 176.870 0.468 0.000 1.089 238 L CA -1.437 53.594 54.840 0.319 0.000 0.833 238 L CB 0.807 43.038 42.059 0.286 0.000 1.170 238 L HN 0.462 nan 8.230 nan 0.000 0.442 239 P HA -0.006 nan 4.420 nan 0.000 0.271 239 P C 0.130 177.489 177.300 0.099 0.000 1.226 239 P CA -0.208 62.995 63.100 0.171 0.000 0.765 239 P CB 0.799 32.306 31.700 -0.321 0.000 0.835 240 K N 2.859 123.323 120.400 0.107 0.000 2.097 240 K HA -0.280 4.040 4.320 -0.000 0.000 0.214 240 K C 1.782 178.073 176.600 -0.514 0.000 1.052 240 K CA 2.609 58.507 56.287 -0.648 0.000 0.932 240 K CB -0.822 31.416 32.500 -0.436 0.000 0.716 240 K HN 0.452 nan 8.250 nan 0.000 0.455 241 T N 0.407 114.797 114.554 -0.273 0.000 2.624 241 T HA -0.251 4.099 4.350 -0.000 0.000 0.266 241 T C 1.673 176.257 174.700 -0.194 0.000 1.050 241 T CA 2.365 64.336 62.100 -0.215 0.000 1.163 241 T CB -0.355 68.416 68.868 -0.162 0.000 0.861 241 T HN 0.428 nan 8.240 nan 0.000 0.443 242 E N 0.667 120.777 120.200 -0.151 0.000 2.209 242 E HA 0.068 4.418 4.350 -0.000 0.000 0.196 242 E C 1.969 178.508 176.600 -0.102 0.000 0.993 242 E CA 0.978 57.322 56.400 -0.092 0.000 0.819 242 E CB -0.629 29.052 29.700 -0.031 0.000 0.745 242 E HN 0.652 nan 8.360 nan 0.000 0.477 243 A N -0.371 122.330 122.820 -0.199 0.000 2.258 243 A HA 0.323 4.643 4.320 -0.000 0.000 0.206 243 A C 0.822 178.303 177.584 -0.172 0.000 1.222 243 A CA 0.672 52.597 52.037 -0.187 0.000 0.822 243 A CB -0.484 18.274 19.000 -0.403 0.000 0.804 243 A HN 0.177 nan 8.150 nan 0.000 0.483 244 A N 0.330 123.059 122.820 -0.152 0.000 2.274 244 A HA 0.533 4.853 4.320 -0.000 0.000 0.309 244 A C 0.676 178.219 177.584 -0.068 0.000 1.226 244 A CA -0.483 51.485 52.037 -0.116 0.000 0.853 244 A CB 0.021 18.948 19.000 -0.121 0.000 1.146 244 A HN 0.550 nan 8.150 nan 0.000 0.518 245 N N 1.537 120.207 118.700 -0.050 0.000 2.726 245 N HA -0.149 4.591 4.740 -0.000 0.000 0.253 245 N C -1.067 174.432 175.510 -0.019 0.000 1.059 245 N CA 1.390 54.422 53.050 -0.030 0.000 0.701 245 N CB -0.515 37.954 38.487 -0.030 0.000 0.899 245 N HN 0.938 nan 8.380 nan 0.000 0.548 246 D N -0.579 119.814 120.400 -0.011 0.000 2.334 246 D HA 0.058 4.698 4.640 -0.000 0.000 0.182 246 D C 0.762 177.072 176.300 0.017 0.000 1.157 246 D CA -0.047 53.955 54.000 0.003 0.000 0.807 246 D CB 0.489 41.292 40.800 0.004 0.000 2.649 246 D HN 0.092 nan 8.370 nan 0.000 0.494 247 T N 2.561 117.128 114.554 0.022 0.000 2.746 247 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 247 T C 1.828 176.555 174.700 0.045 0.000 1.039 247 T CA 0.928 63.047 62.100 0.032 0.000 1.142 247 T CB 0.112 68.996 68.868 0.027 0.000 0.866 247 T HN 0.342 nan 8.240 nan 0.000 0.444 248 L N 1.549 122.797 121.223 0.043 0.000 1.988 248 L HA 0.190 4.530 4.340 -0.000 0.000 0.207 248 L C 2.690 179.603 176.870 0.071 0.000 1.071 248 L CA 1.915 56.785 54.840 0.051 0.000 0.744 248 L CB -1.169 40.916 42.059 0.043 0.000 0.893 248 L HN 0.216 nan 8.230 nan 0.000 0.433 249 A N -0.620 122.240 122.820 0.067 0.000 2.032 249 A HA -0.166 4.154 4.320 -0.000 0.000 0.221 249 A C 2.365 180.033 177.584 0.141 0.000 1.165 249 A CA 1.977 54.068 52.037 0.090 0.000 0.645 249 A CB -1.076 17.956 19.000 0.052 0.000 0.807 249 A HN 0.606 nan 8.150 nan 0.000 0.453 250 A N -0.492 122.396 122.820 0.112 0.000 1.898 250 A HA 0.330 4.650 4.320 -0.000 0.000 0.214 250 A C 2.476 180.180 177.584 0.200 0.000 1.183 250 A CA 1.582 53.712 52.037 0.154 0.000 0.622 250 A CB -0.918 18.132 19.000 0.085 0.000 0.824 250 A HN 1.002 nan 8.150 nan 0.000 0.444 251 A N -0.056 122.842 122.820 0.129 0.000 1.930 251 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 251 A C 2.099 179.744 177.584 0.102 0.000 1.175 251 A CA 1.438 53.537 52.037 0.103 0.000 0.627 251 A CB -0.533 18.508 19.000 0.068 0.000 0.815 251 A HN 0.489 nan 8.150 nan 0.000 0.443 252 I N -2.774 117.867 120.570 0.118 0.000 2.162 252 I HA -0.227 3.943 4.170 -0.000 0.000 0.238 252 I C 2.398 178.588 176.117 0.122 0.000 1.076 252 I CA 1.410 62.771 61.300 0.101 0.000 1.353 252 I CB -0.436 37.628 38.000 0.105 0.000 1.063 252 I HN 0.664 nan 8.210 nan 0.000 0.408 253 W N 2.221 123.539 121.300 0.030 0.000 2.308 253 W HA -0.292 4.368 4.660 -0.000 0.000 0.301 253 W C 2.488 179.026 176.519 0.032 0.000 1.220 253 W CA 2.221 59.588 57.345 0.037 0.000 1.240 253 W CB -0.122 29.360 29.460 0.035 0.000 1.142 253 W HN 0.165 nan 8.180 nan 0.000 0.521 254 E N -0.134 120.144 120.200 0.131 0.000 2.106 254 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 254 E C 2.371 178.897 176.600 -0.123 0.000 0.984 254 E CA 1.237 57.625 56.400 -0.020 0.000 0.806 254 E CB -0.329 29.445 29.700 0.123 0.000 0.750 254 E HN 0.285 nan 8.360 nan 0.000 0.458 255 R N 0.506 120.969 120.500 -0.062 0.000 2.075 255 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 255 R C 2.012 178.246 176.300 -0.111 0.000 1.126 255 R CA 1.712 57.774 56.100 -0.064 0.000 0.963 255 R CB 0.011 30.299 30.300 -0.020 0.000 0.858 255 R HN 0.212 nan 8.270 nan 0.000 0.435 256 E N -0.027 120.085 120.200 -0.146 0.000 2.072 256 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 256 E C 2.102 178.559 176.600 -0.237 0.000 0.985 256 E CA 0.876 57.179 56.400 -0.162 0.000 0.801 256 E CB -0.068 29.543 29.700 -0.147 0.000 0.750 256 E HN 0.217 nan 8.360 nan 0.000 0.452 257 Q N 1.215 120.768 119.800 -0.413 0.000 2.077 257 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 257 Q C 1.914 177.761 176.000 -0.256 0.000 0.989 257 Q CA 1.730 57.256 55.803 -0.460 0.000 0.853 257 Q CB -0.244 28.005 28.738 -0.814 0.000 0.907 257 Q HN 0.316 nan 8.270 nan 0.000 0.418 258 E N -1.025 119.054 120.200 -0.202 0.000 2.038 258 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 258 E C 1.733 178.275 176.600 -0.098 0.000 1.000 258 E CA 1.259 57.587 56.400 -0.120 0.000 0.803 258 E CB -0.192 29.457 29.700 -0.085 0.000 0.750 258 E HN 0.383 nan 8.360 nan 0.000 0.448 259 A N 1.791 124.552 122.820 -0.097 0.000 1.933 259 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 259 A C 2.219 179.757 177.584 -0.078 0.000 1.175 259 A CA 1.175 53.168 52.037 -0.075 0.000 0.628 259 A CB -0.645 18.315 19.000 -0.067 0.000 0.814 259 A HN 0.449 nan 8.150 nan 0.000 0.444 260 L N -0.464 120.697 121.223 -0.103 0.000 2.083 260 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 260 L C 2.328 179.153 176.870 -0.076 0.000 1.083 260 L CA 2.408 57.192 54.840 -0.093 0.000 0.752 260 L CB -1.101 40.887 42.059 -0.118 0.000 0.899 260 L HN 0.379 nan 8.230 nan 0.000 0.433 261 A N -0.736 122.035 122.820 -0.081 0.000 2.251 261 A HA 0.037 4.357 4.320 -0.000 0.000 0.209 261 A C 0.886 178.442 177.584 -0.047 0.000 1.187 261 A CA 0.202 52.203 52.037 -0.059 0.000 0.823 261 A CB -0.239 18.724 19.000 -0.060 0.000 0.846 261 A HN 0.588 nan 8.150 nan 0.000 0.486 262 N N 0.507 119.178 118.700 -0.049 0.000 2.571 262 N HA 0.255 4.994 4.740 -0.000 0.000 0.298 262 N C -0.767 174.721 175.510 -0.036 0.000 1.671 262 N CA -0.115 52.913 53.050 -0.038 0.000 0.900 262 N CB 0.562 39.028 38.487 -0.036 0.000 1.365 262 N HN 0.327 nan 8.380 nan 0.000 0.493 263 L N 1.906 123.105 121.223 -0.039 0.000 2.514 263 L HA 0.120 4.460 4.340 -0.000 0.000 0.280 263 L C -1.433 175.419 176.870 -0.030 0.000 1.223 263 L CA -0.929 53.888 54.840 -0.038 0.000 0.864 263 L CB -0.330 41.702 42.059 -0.044 0.000 1.118 263 L HN -0.051 nan 8.230 nan 0.000 0.494 264 P HA -0.043 nan 4.420 nan 0.000 0.264 264 P C 0.343 177.634 177.300 -0.015 0.000 1.193 264 P CA -0.004 63.087 63.100 -0.015 0.000 0.763 264 P CB 0.926 32.622 31.700 -0.007 0.000 0.810 265 A N 4.389 127.203 122.820 -0.010 0.000 1.954 265 A HA -0.271 4.049 4.320 -0.000 0.000 0.222 265 A C 1.798 179.380 177.584 -0.003 0.000 1.199 265 A CA 2.133 54.165 52.037 -0.008 0.000 0.657 265 A CB -1.065 17.933 19.000 -0.003 0.000 0.823 265 A HN 0.557 nan 8.150 nan 0.000 0.463 266 D N -0.489 119.922 120.400 0.017 0.000 2.218 266 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 266 D C 1.607 177.909 176.300 0.004 0.000 0.976 266 D CA 1.100 55.137 54.000 0.061 0.000 0.853 266 D CB -0.123 40.747 40.800 0.118 0.000 0.939 266 D HN 0.542 nan 8.370 nan 0.000 0.481 267 L N 0.165 121.352 121.223 -0.060 0.000 2.585 267 L HA 0.204 4.544 4.340 -0.000 0.000 0.226 267 L C 2.392 179.184 176.870 -0.131 0.000 1.113 267 L CA -0.057 54.688 54.840 -0.158 0.000 0.876 267 L CB 0.000 41.990 42.059 -0.116 0.000 1.072 267 L HN -0.121 nan 8.230 nan 0.000 0.468 268 A N 0.951 123.722 122.820 -0.080 0.000 1.948 268 A HA -0.164 4.155 4.320 -0.000 0.000 0.220 268 A C 2.243 179.782 177.584 -0.075 0.000 1.177 268 A CA 1.976 53.974 52.037 -0.065 0.000 0.636 268 A CB -0.966 18.009 19.000 -0.041 0.000 0.815 268 A HN 0.422 nan 8.150 nan 0.000 0.449 269 G N -1.418 107.332 108.800 -0.083 0.000 2.813 269 G HA2 0.351 4.311 3.960 -0.000 0.000 0.209 269 G HA3 0.351 4.311 3.960 -0.000 0.000 0.209 269 G C 0.288 175.112 174.900 -0.127 0.000 1.150 269 G CA -0.116 44.934 45.100 -0.084 0.000 0.785 269 G HN 0.305 nan 8.290 nan 0.000 0.535 270 L N 1.914 123.031 121.223 -0.176 0.000 2.371 270 L HA 0.329 4.669 4.340 -0.000 0.000 0.272 270 L C -1.817 174.936 176.870 -0.196 0.000 1.124 270 L CA -2.177 52.525 54.840 -0.229 0.000 0.816 270 L CB 0.812 42.699 42.059 -0.287 0.000 1.129 270 L HN -0.096 nan 8.230 nan 0.000 0.448 271 P HA 0.077 nan 4.420 nan 0.000 0.266 271 P C -0.828 176.436 177.300 -0.060 0.000 1.215 271 P CA -0.114 62.879 63.100 -0.178 0.000 0.763 271 P CB 0.303 31.806 31.700 -0.328 0.000 0.806 272 T N 3.387 117.936 114.554 -0.009 0.000 2.807 272 T HA 0.358 4.708 4.350 -0.000 0.000 0.279 272 T C -0.457 174.277 174.700 0.058 0.000 0.993 272 T CA -0.439 61.671 62.100 0.018 0.000 0.970 272 T CB 1.290 70.144 68.868 -0.023 0.000 0.950 272 T HN 0.315 nan 8.240 nan 0.000 0.441 273 D N 1.977 122.429 120.400 0.087 0.000 2.433 273 D HA 0.580 5.219 4.640 -0.000 0.000 0.236 273 D C -0.294 176.016 176.300 0.016 0.000 1.026 273 D CA -0.383 53.675 54.000 0.097 0.000 0.884 273 D CB 2.277 43.227 40.800 0.250 0.000 1.384 273 D HN 0.610 nan 8.370 nan 0.000 0.477 274 T N -1.292 113.232 114.554 -0.050 0.000 2.876 274 T HA 0.712 5.062 4.350 -0.000 0.000 0.289 274 T C -0.286 174.280 174.700 -0.223 0.000 1.014 274 T CA -0.852 61.158 62.100 -0.149 0.000 0.986 274 T CB 1.074 69.806 68.868 -0.227 0.000 1.021 274 T HN 0.178 nan 8.240 nan 0.000 0.458 275 L N 2.679 123.786 121.223 -0.193 0.000 2.341 275 L HA 0.573 4.913 4.340 -0.000 0.000 0.278 275 L C -0.608 176.170 176.870 -0.153 0.000 1.005 275 L CA -1.096 53.659 54.840 -0.143 0.000 0.818 275 L CB 1.323 43.373 42.059 -0.015 0.000 1.259 275 L HN 0.597 nan 8.230 nan 0.000 0.418 276 F N 2.204 122.188 119.950 0.057 0.000 2.450 276 F HA 0.182 4.709 4.527 -0.000 0.000 0.339 276 F C 0.454 176.280 175.800 0.043 0.000 1.146 276 F CA -0.301 57.732 58.000 0.055 0.000 1.267 276 F CB 0.589 39.623 39.000 0.057 0.000 1.178 276 F HN 0.261 nan 8.300 nan 0.000 0.585 277 L N 3.447 124.838 121.223 0.281 0.000 2.455 277 L HA 0.151 4.490 4.340 -0.000 0.000 0.272 277 L C -0.340 176.606 176.870 0.128 0.000 1.174 277 L CA 0.036 54.969 54.840 0.156 0.000 0.869 277 L CB 0.155 42.294 42.059 0.134 0.000 1.130 277 L HN 0.420 nan 8.230 nan 0.000 0.474 278 Q N 6.767 126.618 119.800 0.085 0.000 2.245 278 Q HA 0.357 4.697 4.340 -0.000 0.000 0.256 278 Q C -1.798 174.225 176.000 0.038 0.000 0.942 278 Q CA -1.882 53.957 55.803 0.059 0.000 0.896 278 Q CB 1.146 29.911 28.738 0.046 0.000 1.272 278 Q HN 0.523 nan 8.270 nan 0.000 0.442 279 P HA -0.063 nan 4.420 nan 0.000 0.222 279 P C 0.105 177.413 177.300 0.013 0.000 1.147 279 P CA 0.721 63.831 63.100 0.018 0.000 0.790 279 P CB 0.543 32.249 31.700 0.009 0.000 0.780 280 V N 0.644 120.565 119.914 0.011 0.000 2.789 280 V HA 0.240 4.360 4.120 -0.000 0.000 0.311 280 V C -0.159 175.935 176.094 0.000 0.000 1.073 280 V CA -1.035 61.268 62.300 0.004 0.000 0.921 280 V CB 1.793 33.615 31.823 -0.001 0.000 1.009 280 V HN -0.134 nan 8.190 nan 0.000 0.426 281 N N 3.713 122.411 118.700 -0.004 0.000 2.429 281 N HA 0.156 4.896 4.740 -0.000 0.000 0.271 281 N C -0.130 175.364 175.510 -0.025 0.000 1.272 281 N CA -0.051 52.992 53.050 -0.012 0.000 0.921 281 N CB 0.352 38.833 38.487 -0.011 0.000 1.128 281 N HN 0.568 nan 8.380 nan 0.000 0.481 282 M N 1.465 121.046 119.600 -0.032 0.000 2.409 282 M HA -0.077 4.403 4.480 -0.000 0.000 0.376 282 M C 1.271 177.525 176.300 -0.077 0.000 1.631 282 M CA 0.481 55.751 55.300 -0.050 0.000 0.987 282 M CB -0.006 32.561 32.600 -0.056 0.000 2.090 282 M HN 0.286 nan 8.290 nan 0.000 0.474 283 V N 2.869 122.739 119.914 -0.073 0.000 3.253 283 V HA 0.642 4.762 4.120 -0.000 0.000 0.320 283 V C 0.413 176.444 176.094 -0.105 0.000 1.442 283 V CA 0.781 63.027 62.300 -0.090 0.000 1.097 283 V CB -0.093 31.696 31.823 -0.056 0.000 1.008 283 V HN 0.902 nan 8.190 nan 0.000 0.463 284 G N -1.409 107.327 108.800 -0.106 0.000 2.682 284 G HA2 0.438 4.398 3.960 -0.000 0.000 0.290 284 G HA3 0.438 4.398 3.960 -0.000 0.000 0.290 284 G C 0.153 175.003 174.900 -0.082 0.000 1.425 284 G CA 0.297 45.344 45.100 -0.090 0.000 0.807 284 G HN -0.103 nan 8.290 nan 0.000 0.482 285 V N 0.488 120.388 119.914 -0.024 0.000 2.287 285 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 285 V C 2.997 179.101 176.094 0.016 0.000 1.053 285 V CA 2.785 65.101 62.300 0.025 0.000 1.027 285 V CB -0.669 31.209 31.823 0.092 0.000 0.646 285 V HN 0.672 nan 8.190 nan 0.000 0.447 286 S N 0.255 115.963 115.700 0.013 0.000 2.368 286 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 286 S C 2.223 176.826 174.600 0.006 0.000 1.030 286 S CA 1.476 59.684 58.200 0.013 0.000 0.999 286 S CB -0.549 62.657 63.200 0.011 0.000 0.844 286 S HN 0.663 nan 8.310 nan 0.000 0.459 287 A N 1.564 124.379 122.820 -0.008 0.000 1.877 287 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 287 A C 2.154 179.731 177.584 -0.012 0.000 1.186 287 A CA 1.153 53.183 52.037 -0.012 0.000 0.620 287 A CB -0.820 18.164 19.000 -0.026 0.000 0.822 287 A HN 0.425 nan 8.150 nan 0.000 0.443 288 L N -0.261 120.943 121.223 -0.032 0.000 1.989 288 L HA -0.214 4.125 4.340 -0.000 0.000 0.211 288 L C 2.874 179.748 176.870 0.007 0.000 1.071 288 L CA 1.784 56.605 54.840 -0.031 0.000 0.749 288 L CB -0.556 41.466 42.059 -0.062 0.000 0.890 288 L HN 0.350 nan 8.230 nan 0.000 0.431 289 S N -0.848 114.864 115.700 0.019 0.000 2.419 289 S HA -0.205 4.265 4.470 -0.000 0.000 0.233 289 S C 1.970 176.593 174.600 0.039 0.000 1.016 289 S CA 1.035 59.255 58.200 0.034 0.000 0.974 289 S CB -0.355 62.866 63.200 0.035 0.000 0.786 289 S HN 0.322 nan 8.310 nan 0.000 0.492 290 R N 0.868 121.388 120.500 0.035 0.000 2.237 290 R HA 0.106 4.446 4.340 -0.000 0.000 0.219 290 R C 2.101 178.441 176.300 0.066 0.000 1.080 290 R CA 0.512 56.639 56.100 0.045 0.000 0.995 290 R CB -0.258 30.062 30.300 0.034 0.000 0.875 290 R HN 0.391 nan 8.270 nan 0.000 0.462 291 L N 0.490 121.748 121.223 0.059 0.000 2.141 291 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 291 L C 1.029 177.957 176.870 0.098 0.000 1.094 291 L CA 0.805 55.689 54.840 0.073 0.000 0.763 291 L CB 0.053 42.139 42.059 0.044 0.000 0.908 291 L HN 0.254 nan 8.230 nan 0.000 0.437 292 L N -0.075 121.203 121.223 0.092 0.000 2.599 292 L HA 0.071 4.411 4.340 -0.000 0.000 0.230 292 L C 1.347 178.275 176.870 0.096 0.000 1.141 292 L CA 0.324 55.225 54.840 0.102 0.000 0.877 292 L CB -1.833 40.271 42.059 0.075 0.000 1.009 292 L HN 0.273 nan 8.230 nan 0.000 0.447 293 S N -0.351 115.417 115.700 0.113 0.000 2.549 293 S HA 0.053 4.523 4.470 -0.000 0.000 0.286 293 S C 1.404 176.115 174.600 0.185 0.000 1.314 293 S CA 0.140 58.419 58.200 0.131 0.000 1.062 293 S CB 0.613 63.895 63.200 0.136 0.000 0.865 293 S HN 0.452 nan 8.310 nan 0.000 0.498 294 T N -0.269 114.380 114.554 0.159 0.000 3.129 294 T HA 0.203 4.553 4.350 -0.000 0.000 0.251 294 T C 0.280 175.166 174.700 0.309 0.000 1.117 294 T CA 0.026 62.236 62.100 0.184 0.000 1.034 294 T CB -0.435 68.501 68.868 0.113 0.000 0.968 294 T HN 0.770 nan 8.240 nan 0.000 0.526 295 Q N 0.995 120.963 119.800 0.279 0.000 2.315 295 Q HA 0.458 4.797 4.340 -0.000 0.000 0.273 295 Q C -2.862 173.154 176.000 0.027 0.000 1.053 295 Q CA -2.134 53.780 55.803 0.184 0.000 0.817 295 Q CB 2.115 30.904 28.738 0.085 0.000 1.326 295 Q HN 0.112 nan 8.270 nan 0.000 0.423 309 R N 0.762 121.270 120.500 0.013 0.000 2.739 309 R HA 0.704 5.044 4.340 -0.000 0.000 0.271 309 R C -2.350 173.958 176.300 0.012 0.000 1.010 309 R CA -1.382 54.727 56.100 0.015 0.000 0.897 309 R CB 1.892 32.204 30.300 0.019 0.000 1.236 309 R HN 0.116 nan 8.270 nan 0.000 0.466 310 P HA 0.238 nan 4.420 nan 0.000 0.283 310 P C -1.254 176.050 177.300 0.008 0.000 1.271 310 P CA -0.432 62.673 63.100 0.008 0.000 0.841 310 P CB 1.021 32.727 31.700 0.010 0.000 1.122 311 D N 0.824 121.225 120.400 0.002 0.000 2.557 311 D HA 0.383 5.023 4.640 -0.000 0.000 0.236 311 D C -0.692 175.606 176.300 -0.003 0.000 1.154 311 D CA -0.227 53.774 54.000 0.001 0.000 0.985 311 D CB -0.803 39.996 40.800 -0.002 0.000 1.010 311 D HN 0.216 nan 8.370 nan 0.000 0.516 312 I N 2.737 123.308 120.570 0.001 0.000 2.533 312 I HA 0.357 4.527 4.170 -0.000 0.000 0.290 312 I C -1.951 174.166 176.117 -0.001 0.000 1.056 312 I CA -2.283 59.017 61.300 -0.001 0.000 1.057 312 I CB 2.104 40.108 38.000 0.006 0.000 1.240 312 I HN 0.125 nan 8.210 nan 0.000 0.423 313 P HA 0.067 nan 4.420 nan 0.000 0.270 313 P C -0.310 176.983 177.300 -0.012 0.000 1.227 313 P CA -0.216 62.877 63.100 -0.011 0.000 0.788 313 P CB 0.449 32.144 31.700 -0.007 0.000 0.926 314 S N 0.634 116.314 115.700 -0.034 0.000 2.681 314 S HA 0.183 4.653 4.470 -0.000 0.000 0.270 314 S C 1.181 175.768 174.600 -0.021 0.000 1.209 314 S CA -0.726 57.453 58.200 -0.035 0.000 0.988 314 S CB 0.123 63.276 63.200 -0.078 0.000 1.006 314 S HN 0.452 nan 8.310 nan 0.000 0.558 315 L N 0.808 122.023 121.223 -0.013 0.000 2.131 315 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 315 L C 2.537 179.391 176.870 -0.026 0.000 1.092 315 L CA 1.372 56.210 54.840 -0.003 0.000 0.759 315 L CB -0.787 41.270 42.059 -0.002 0.000 0.903 315 L HN 0.882 nan 8.230 nan 0.000 0.435 316 S N -0.024 115.641 115.700 -0.058 0.000 2.374 316 S HA -0.247 4.222 4.470 -0.000 0.000 0.227 316 S C 2.063 176.595 174.600 -0.113 0.000 1.037 316 S CA 1.359 59.496 58.200 -0.105 0.000 1.024 316 S CB -0.307 62.809 63.200 -0.139 0.000 0.861 316 S HN 0.658 nan 8.310 nan 0.000 0.456 317 A N 1.302 124.080 122.820 -0.070 0.000 1.858 317 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 317 A C 2.149 179.751 177.584 0.031 0.000 1.190 317 A CA 1.277 53.298 52.037 -0.026 0.000 0.617 317 A CB -0.817 18.179 19.000 -0.007 0.000 0.827 317 A HN 0.453 nan 8.150 nan 0.000 0.443 318 L N -0.305 120.956 121.223 0.064 0.000 2.042 318 L HA -0.196 4.143 4.340 -0.000 0.000 0.210 318 L C 2.582 179.533 176.870 0.135 0.000 1.076 318 L CA 1.394 56.343 54.840 0.181 0.000 0.749 318 L CB -0.537 41.645 42.059 0.205 0.000 0.893 318 L HN 0.292 nan 8.230 nan 0.000 0.432 319 V N -0.469 119.451 119.914 0.010 0.000 2.332 319 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 319 V C 2.132 178.167 176.094 -0.098 0.000 1.055 319 V CA 1.881 64.130 62.300 -0.086 0.000 1.038 319 V CB -0.634 31.122 31.823 -0.112 0.000 0.651 319 V HN 0.442 nan 8.190 nan 0.000 0.450 320 D N 0.447 120.799 120.400 -0.080 0.000 2.106 320 D HA -0.183 4.457 4.640 -0.000 0.000 0.191 320 D C 1.938 178.252 176.300 0.024 0.000 0.997 320 D CA 1.738 55.701 54.000 -0.061 0.000 0.834 320 D CB -0.452 40.295 40.800 -0.087 0.000 0.956 320 D HN 0.439 nan 8.370 nan 0.000 0.448 321 D N 0.213 120.674 120.400 0.101 0.000 2.178 321 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 321 D C 2.291 178.647 176.300 0.094 0.000 0.980 321 D CA 0.274 54.385 54.000 0.184 0.000 0.842 321 D CB -0.112 40.912 40.800 0.373 0.000 0.948 321 D HN 0.309 nan 8.370 nan 0.000 0.472 322 I N 1.183 121.722 120.570 -0.052 0.000 2.315 322 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 322 I C 2.463 178.448 176.117 -0.219 0.000 1.117 322 I CA 0.623 61.752 61.300 -0.285 0.000 1.404 322 I CB -0.102 37.658 38.000 -0.400 0.000 1.071 322 I HN -0.089 nan 8.210 nan 0.000 0.419 323 A N 0.764 123.429 122.820 -0.257 0.000 1.972 323 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 323 A C 2.280 179.774 177.584 -0.149 0.000 1.169 323 A CA 1.252 53.070 52.037 -0.365 0.000 0.635 323 A CB -0.550 18.292 19.000 -0.264 0.000 0.810 323 A HN 0.303 nan 8.150 nan 0.000 0.446 324 R N 0.595 121.080 120.500 -0.024 0.000 2.189 324 R HA -0.230 4.109 4.340 -0.000 0.000 0.252 324 R C 1.028 177.330 176.300 0.002 0.000 1.134 324 R CA 1.888 58.006 56.100 0.030 0.000 0.954 324 R CB -0.563 29.774 30.300 0.061 0.000 0.890 324 R HN 0.814 nan 8.270 nan 0.000 0.443 325 N N 0.535 119.224 118.700 -0.017 0.000 2.313 325 N HA -0.038 4.701 4.740 -0.000 0.000 0.207 325 N C -0.283 175.057 175.510 -0.283 0.000 1.141 325 N CA 0.375 53.369 53.050 -0.093 0.000 0.830 325 N CB 0.315 38.786 38.487 -0.027 0.000 1.008 325 N HN 0.323 nan 8.380 nan 0.000 0.481 326 E N -0.630 119.418 120.200 -0.253 0.000 3.680 326 E HA -0.286 4.064 4.350 -0.000 0.000 0.309 326 E C -0.289 175.728 176.600 -0.972 0.000 0.793 326 E CA 1.707 57.855 56.400 -0.420 0.000 1.083 326 E CB -1.469 28.129 29.700 -0.170 0.000 1.548 326 E HN 0.945 nan 8.360 nan 0.000 0.456 327 H N -3.436 114.913 119.070 -1.202 0.000 2.902 327 H HA 0.695 5.251 4.556 -0.000 0.000 0.297 327 H C 0.082 174.941 175.328 -0.782 0.000 1.406 327 H CA -1.124 54.123 56.048 -1.334 0.000 1.134 327 H CB 1.701 31.110 29.762 -0.588 0.000 1.833 327 H HN 0.269 nan 8.280 nan 0.000 0.527 328 G N -0.050 108.515 108.800 -0.393 0.000 2.340 328 G HA2 0.254 4.214 3.960 -0.000 0.000 0.527 328 G HA3 0.254 4.214 3.960 -0.000 0.000 0.527 328 G C -2.315 172.551 174.900 -0.057 0.000 1.381 328 G CA -0.587 44.395 45.100 -0.197 0.000 1.001 328 G HN 0.585 nan 8.290 nan 0.000 0.626 329 L N 0.687 121.866 121.223 -0.075 0.000 2.275 329 L HA 0.847 5.186 4.340 -0.000 0.000 0.288 329 L C -0.052 176.798 176.870 -0.035 0.000 1.046 329 L CA -0.933 53.880 54.840 -0.044 0.000 0.805 329 L CB 0.773 42.805 42.059 -0.044 0.000 1.193 329 L HN 0.477 nan 8.230 nan 0.000 0.426 330 I N 6.260 126.815 120.570 -0.026 0.000 2.418 330 I HA 0.402 4.572 4.170 -0.000 0.000 0.287 330 I C -0.561 175.541 176.117 -0.024 0.000 1.008 330 I CA -0.342 60.930 61.300 -0.047 0.000 1.104 330 I CB 1.577 39.532 38.000 -0.075 0.000 1.264 330 I HN 0.523 nan 8.210 nan 0.000 0.438 331 M N 7.072 126.672 119.600 -0.001 0.000 2.134 331 M HA 0.428 4.907 4.480 -0.000 0.000 0.310 331 M C -1.224 175.085 176.300 0.014 0.000 0.966 331 M CA -0.800 54.514 55.300 0.023 0.000 0.922 331 M CB 2.055 34.684 32.600 0.048 0.000 1.537 331 M HN 0.313 nan 8.290 nan 0.000 0.424 332 L N 4.679 125.908 121.223 0.010 0.000 2.276 332 L HA 0.531 4.871 4.340 -0.000 0.000 0.286 332 L C -0.287 176.570 176.870 -0.022 0.000 1.061 332 L CA 0.674 55.509 54.840 -0.008 0.000 0.807 332 L CB 0.775 42.829 42.059 -0.009 0.000 1.177 332 L HN 0.704 nan 8.230 nan 0.000 0.429 333 M N 1.897 121.460 119.600 -0.062 0.000 2.690 333 M HA 0.888 5.368 4.480 -0.000 0.000 0.302 333 M C 0.087 176.303 176.300 -0.140 0.000 1.234 333 M CA -0.697 54.548 55.300 -0.092 0.000 0.853 333 M CB 2.577 35.115 32.600 -0.103 0.000 1.748 333 M HN 0.645 nan 8.290 nan 0.000 0.469 334 G N 0.597 109.313 108.800 -0.139 0.000 2.352 334 G HA2 0.151 4.111 3.960 -0.000 0.000 0.302 334 G HA3 0.151 4.111 3.960 -0.000 0.000 0.302 334 G C -1.796 173.035 174.900 -0.115 0.000 1.370 334 G CA -1.032 43.971 45.100 -0.162 0.000 0.918 334 G HN 0.448 nan 8.290 nan 0.000 0.610 335 K N -0.250 120.085 120.400 -0.109 0.000 2.156 335 K HA 0.488 4.807 4.320 -0.000 0.000 0.242 335 K C 1.173 177.737 176.600 -0.061 0.000 1.033 335 K CA 0.276 56.516 56.287 -0.077 0.000 0.878 335 K CB 0.203 32.663 32.500 -0.066 0.000 1.057 335 K HN 0.999 nan 8.250 nan 0.000 0.505 336 G N -1.039 107.732 108.800 -0.048 0.000 2.441 336 G HA2 0.339 4.299 3.960 -0.000 0.000 0.243 336 G HA3 0.339 4.299 3.960 -0.000 0.000 0.243 336 G C 0.853 175.735 174.900 -0.031 0.000 1.281 336 G CA 0.246 45.323 45.100 -0.038 0.000 0.854 336 G HN 0.681 nan 8.290 nan 0.000 0.560 337 G N -0.279 108.505 108.800 -0.026 0.000 2.168 337 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.263 337 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.263 337 G C 1.269 176.157 174.900 -0.020 0.000 0.977 337 G CA 1.153 46.242 45.100 -0.019 0.000 0.659 337 G HN 1.940 nan 8.290 nan 0.000 0.533 338 V N -2.823 117.073 119.914 -0.030 0.000 3.041 338 V HA 0.542 4.662 4.120 -0.000 0.000 0.260 338 V C 1.859 177.938 176.094 -0.024 0.000 1.105 338 V CA 1.710 63.992 62.300 -0.031 0.000 1.125 338 V CB -0.042 31.750 31.823 -0.052 0.000 0.730 338 V HN 2.207 nan 8.190 nan 0.000 0.479 339 G N -0.012 108.774 108.800 -0.022 0.000 2.148 339 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.120 339 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.120 339 G C 0.507 175.398 174.900 -0.016 0.000 1.034 339 G CA 0.176 45.267 45.100 -0.015 0.000 0.710 339 G HN 0.437 nan 8.290 nan 0.000 0.495 340 K N -0.146 120.241 120.400 -0.022 0.000 2.032 340 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 340 K C 2.495 179.092 176.600 -0.005 0.000 1.048 340 K CA 1.944 58.220 56.287 -0.018 0.000 0.927 340 K CB -0.246 32.242 32.500 -0.020 0.000 0.712 340 K HN 0.301 nan 8.250 nan 0.000 0.441 341 T N 0.640 115.194 114.554 0.001 0.000 2.821 341 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 341 T C 1.916 176.616 174.700 0.001 0.000 1.046 341 T CA 1.649 63.753 62.100 0.007 0.000 1.139 341 T CB -0.260 68.615 68.868 0.012 0.000 0.871 341 T HN 0.288 nan 8.240 nan 0.000 0.454 342 T N 2.477 117.030 114.554 -0.001 0.000 2.777 342 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 342 T C 2.047 176.744 174.700 -0.005 0.000 1.040 342 T CA 0.900 62.999 62.100 -0.002 0.000 1.141 342 T CB -0.207 68.660 68.868 -0.000 0.000 0.868 342 T HN 0.187 nan 8.240 nan 0.000 0.444 343 M N 1.251 120.847 119.600 -0.006 0.000 2.132 343 M HA 0.103 4.583 4.480 -0.000 0.000 0.263 343 M C 2.833 179.124 176.300 -0.015 0.000 1.065 343 M CA 1.210 56.505 55.300 -0.008 0.000 1.122 343 M CB -1.533 31.063 32.600 -0.006 0.000 1.365 343 M HN 0.311 nan 8.290 nan 0.000 0.411 344 A N 0.368 123.179 122.820 -0.016 0.000 1.933 344 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 344 A C 2.465 180.032 177.584 -0.028 0.000 1.175 344 A CA 2.107 54.129 52.037 -0.025 0.000 0.628 344 A CB -0.875 18.112 19.000 -0.021 0.000 0.814 344 A HN 0.469 nan 8.150 nan 0.000 0.444 345 A N -0.062 122.747 122.820 -0.017 0.000 1.877 345 A HA 0.149 4.469 4.320 -0.000 0.000 0.216 345 A C 2.519 180.093 177.584 -0.017 0.000 1.186 345 A CA 2.151 54.180 52.037 -0.013 0.000 0.620 345 A CB -1.099 17.898 19.000 -0.006 0.000 0.822 345 A HN 1.112 nan 8.150 nan 0.000 0.443 346 A N -0.490 122.320 122.820 -0.016 0.000 1.972 346 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 346 A C 2.110 179.674 177.584 -0.033 0.000 1.169 346 A CA 1.522 53.548 52.037 -0.018 0.000 0.635 346 A CB -0.545 18.447 19.000 -0.013 0.000 0.810 346 A HN 0.512 nan 8.150 nan 0.000 0.446 347 I N -0.641 119.902 120.570 -0.045 0.000 2.233 347 I HA -0.194 3.975 4.170 -0.000 0.000 0.243 347 I C 2.945 179.008 176.117 -0.091 0.000 1.093 347 I CA 0.948 62.202 61.300 -0.077 0.000 1.380 347 I CB -0.258 37.691 38.000 -0.086 0.000 1.067 347 I HN 0.330 nan 8.210 nan 0.000 0.413 348 A N 0.264 123.045 122.820 -0.064 0.000 1.933 348 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 348 A C 2.390 179.960 177.584 -0.023 0.000 1.175 348 A CA 1.616 53.626 52.037 -0.045 0.000 0.628 348 A CB -0.872 18.117 19.000 -0.019 0.000 0.814 348 A HN 0.251 nan 8.150 nan 0.000 0.444 349 V N -0.252 119.650 119.914 -0.020 0.000 2.307 349 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 349 V C 2.641 178.731 176.094 -0.007 0.000 1.045 349 V CA 2.327 64.623 62.300 -0.008 0.000 1.024 349 V CB -0.780 31.039 31.823 -0.007 0.000 0.651 349 V HN 0.589 nan 8.190 nan 0.000 0.449 350 R N -0.114 120.373 120.500 -0.022 0.000 2.080 350 R HA -0.136 4.204 4.340 -0.000 0.000 0.236 350 R C 2.017 178.319 176.300 0.004 0.000 1.137 350 R CA 1.660 57.749 56.100 -0.019 0.000 0.943 350 R CB -0.871 29.401 30.300 -0.047 0.000 0.846 350 R HN 0.306 nan 8.270 nan 0.000 0.431 351 L N 0.194 121.398 121.223 -0.031 0.000 1.990 351 L HA -0.117 4.223 4.340 -0.000 0.000 0.213 351 L C 2.350 179.313 176.870 0.155 0.000 1.072 351 L CA 2.339 57.198 54.840 0.031 0.000 0.755 351 L CB -1.434 40.501 42.059 -0.208 0.000 0.889 351 L HN 0.348 nan 8.230 nan 0.000 0.432 352 A N -0.861 122.010 122.820 0.085 0.000 1.892 352 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 352 A C 2.030 179.639 177.584 0.040 0.000 1.188 352 A CA 2.072 54.156 52.037 0.078 0.000 0.631 352 A CB -0.832 18.196 19.000 0.046 0.000 0.822 352 A HN 0.441 nan 8.150 nan 0.000 0.447 353 D N -0.394 120.022 120.400 0.027 0.000 2.309 353 D HA -0.101 4.539 4.640 -0.000 0.000 0.212 353 D C 1.650 177.949 176.300 -0.002 0.000 0.968 353 D CA 1.413 55.419 54.000 0.010 0.000 0.882 353 D CB -0.202 40.605 40.800 0.012 0.000 0.918 353 D HN 0.759 nan 8.370 nan 0.000 0.503 354 M N -3.488 116.115 119.600 0.005 0.000 2.560 354 M HA 0.413 4.893 4.480 -0.000 0.000 0.297 354 M C 0.976 177.099 176.300 -0.294 0.000 1.201 354 M CA 0.217 55.483 55.300 -0.056 0.000 0.973 354 M CB 0.856 33.496 32.600 0.067 0.000 1.401 354 M HN -0.063 nan 8.290 nan 0.000 0.497 355 G N 1.031 109.696 108.800 -0.225 0.000 2.175 355 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 355 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 355 G C -0.312 174.390 174.900 -0.330 0.000 0.982 355 G CA -0.250 44.666 45.100 -0.307 0.000 0.641 355 G HN 0.488 nan 8.290 nan 0.000 0.527 356 F N 1.241 121.248 119.950 0.096 0.000 2.371 356 F HA 0.579 5.106 4.527 -0.000 0.000 0.329 356 F C 0.721 176.614 175.800 0.155 0.000 1.107 356 F CA -1.066 57.039 58.000 0.174 0.000 1.137 356 F CB 0.762 39.967 39.000 0.341 0.000 1.214 356 F HN -0.023 nan 8.300 nan 0.000 0.536 357 D N 1.140 121.762 120.400 0.370 0.000 2.312 357 D HA 0.481 5.121 4.640 -0.000 0.000 0.252 357 D C -1.147 175.327 176.300 0.291 0.000 1.150 357 D CA 0.274 54.409 54.000 0.225 0.000 0.870 357 D CB 0.780 41.665 40.800 0.142 0.000 1.153 357 D HN 0.180 nan 8.370 nan 0.000 0.457 358 V N 3.819 123.857 119.914 0.207 0.000 2.709 358 V HA 0.336 4.456 4.120 -0.000 0.000 0.308 358 V C -0.766 175.428 176.094 0.167 0.000 1.062 358 V CA -0.899 61.526 62.300 0.208 0.000 0.901 358 V CB 1.954 33.868 31.823 0.151 0.000 1.003 358 V HN 0.610 nan 8.190 nan 0.000 0.425 359 H N 4.106 123.200 119.070 0.039 0.000 2.800 359 H HA 0.621 5.177 4.556 -0.000 0.000 0.322 359 H C -1.392 173.902 175.328 -0.057 0.000 0.979 359 H CA -0.876 55.163 56.048 -0.015 0.000 1.277 359 H CB 1.591 31.336 29.762 -0.028 0.000 1.484 359 H HN 0.573 nan 8.280 nan 0.000 0.512 360 L N 5.583 126.922 121.223 0.193 0.000 2.289 360 L HA 0.362 4.701 4.340 -0.000 0.000 0.285 360 L C -0.334 176.493 176.870 -0.071 0.000 1.049 360 L CA -0.078 54.766 54.840 0.007 0.000 0.804 360 L CB 1.296 43.361 42.059 0.009 0.000 1.195 360 L HN 0.720 nan 8.230 nan 0.000 0.428 361 T N 1.107 115.479 114.554 -0.303 0.000 2.829 361 T HA 0.698 5.048 4.350 -0.000 0.000 0.280 361 T C -0.177 174.318 174.700 -0.343 0.000 0.999 361 T CA -0.587 61.219 62.100 -0.490 0.000 0.983 361 T CB 1.498 69.660 68.868 -1.177 0.000 0.968 361 T HN 0.766 nan 8.240 nan 0.000 0.446 362 T N 0.234 114.757 114.554 -0.053 0.000 2.903 362 T HA 0.556 4.906 4.350 -0.000 0.000 0.299 362 T C 0.705 175.578 174.700 0.289 0.000 1.093 362 T CA -0.204 61.986 62.100 0.149 0.000 1.002 362 T CB 1.556 70.462 68.868 0.063 0.000 1.127 362 T HN 0.824 nan 8.240 nan 0.000 0.488 363 S N 1.449 117.293 115.700 0.239 0.000 2.539 363 S HA 0.262 4.732 4.470 -0.000 0.000 0.221 363 S C 0.016 174.621 174.600 0.009 0.000 0.987 363 S CA -0.380 57.874 58.200 0.089 0.000 0.929 363 S CB 0.136 63.326 63.200 -0.017 0.000 0.832 363 S HN 0.657 nan 8.310 nan 0.000 0.492 364 D N 3.051 123.471 120.400 0.033 0.000 2.392 364 D HA 0.358 4.998 4.640 -0.000 0.000 0.228 364 D C -1.299 175.011 176.300 0.016 0.000 1.074 364 D CA -2.245 51.760 54.000 0.009 0.000 0.838 364 D CB 1.880 42.688 40.800 0.013 0.000 1.067 364 D HN -0.015 nan 8.370 nan 0.000 0.511 365 P HA -0.058 nan 4.420 nan 0.000 0.219 365 P C 0.290 177.602 177.300 0.021 0.000 1.146 365 P CA 0.448 63.560 63.100 0.021 0.000 0.808 365 P CB 0.341 32.058 31.700 0.028 0.000 0.779 379 N N 0.358 119.059 118.700 0.001 0.000 2.654 379 N HA -0.240 4.500 4.740 -0.000 0.000 0.248 379 N C -1.046 174.486 175.510 0.036 0.000 1.116 379 N CA 1.005 54.067 53.050 0.019 0.000 0.730 379 N CB -1.357 37.145 38.487 0.025 0.000 1.040 379 N HN 0.485 nan 8.380 nan 0.000 0.548 380 L N -0.048 121.183 121.223 0.012 0.000 2.676 380 L HA 0.332 4.672 4.340 -0.000 0.000 0.262 380 L C -0.929 175.927 176.870 -0.022 0.000 0.965 380 L CA -0.587 54.263 54.840 0.015 0.000 0.920 380 L CB 1.440 43.511 42.059 0.020 0.000 1.260 380 L HN 0.311 nan 8.230 nan 0.000 0.422 381 Q N 3.694 123.456 119.800 -0.063 0.000 2.312 381 Q HA 0.845 5.185 4.340 -0.000 0.000 0.263 381 Q C -1.600 174.358 176.000 -0.069 0.000 0.995 381 Q CA -1.009 54.713 55.803 -0.134 0.000 0.853 381 Q CB 2.705 31.260 28.738 -0.306 0.000 1.300 381 Q HN 0.412 nan 8.270 nan 0.000 0.448 382 V N 2.243 122.142 119.914 -0.026 0.000 2.459 382 V HA 0.455 4.575 4.120 -0.000 0.000 0.295 382 V C -0.505 175.628 176.094 0.064 0.000 1.029 382 V CA -0.576 61.751 62.300 0.046 0.000 0.874 382 V CB 1.740 33.577 31.823 0.023 0.000 0.985 382 V HN 0.895 nan 8.190 nan 0.000 0.438 383 S N 4.714 120.489 115.700 0.125 0.000 2.454 383 S HA 0.669 5.138 4.470 -0.000 0.000 0.306 383 S C -0.406 174.233 174.600 0.065 0.000 1.100 383 S CA -0.787 57.483 58.200 0.117 0.000 1.087 383 S CB 1.218 64.537 63.200 0.199 0.000 1.019 383 S HN 0.682 nan 8.310 nan 0.000 0.480 384 R N 1.880 122.424 120.500 0.073 0.000 2.480 384 R HA 0.574 4.914 4.340 -0.000 0.000 0.306 384 R C -0.762 175.597 176.300 0.097 0.000 0.958 384 R CA -0.708 55.441 56.100 0.081 0.000 0.861 384 R CB 1.091 31.423 30.300 0.054 0.000 1.171 384 R HN 0.612 nan 8.270 nan 0.000 0.445 385 I N -1.648 119.005 120.570 0.138 0.000 2.562 385 I HA 0.377 4.547 4.170 -0.000 0.000 0.301 385 I C -0.464 175.669 176.117 0.026 0.000 1.003 385 I CA -0.441 60.917 61.300 0.096 0.000 1.127 385 I CB 1.848 39.931 38.000 0.137 0.000 1.304 385 I HN 0.426 nan 8.210 nan 0.000 0.446 386 D N 7.675 128.074 120.400 -0.001 0.000 2.380 386 D HA 0.249 4.889 4.640 -0.000 0.000 0.230 386 D C -1.764 174.473 176.300 -0.105 0.000 1.154 386 D CA -1.833 52.142 54.000 -0.042 0.000 0.859 386 D CB 1.779 42.592 40.800 0.022 0.000 1.045 386 D HN 0.452 nan 8.370 nan 0.000 0.495 387 P HA -0.223 nan 4.420 nan 0.000 0.216 387 P C 0.899 178.096 177.300 -0.172 0.000 1.154 387 P CA 1.497 64.446 63.100 -0.252 0.000 0.865 387 P CB 0.173 31.666 31.700 -0.344 0.000 0.789 388 H N 0.726 119.780 119.070 -0.028 0.000 2.319 388 H HA -0.151 4.404 4.556 -0.000 0.000 0.299 388 H C 2.460 177.783 175.328 -0.009 0.000 1.092 388 H CA 1.780 57.817 56.048 -0.018 0.000 1.302 388 H CB -0.499 29.256 29.762 -0.013 0.000 1.373 388 H HN 0.398 nan 8.280 nan 0.000 0.497 389 E N 1.084 121.352 120.200 0.113 0.000 2.106 389 E HA -0.162 4.187 4.350 -0.000 0.000 0.192 389 E C 1.557 178.182 176.600 0.043 0.000 0.984 389 E CA 1.071 57.512 56.400 0.068 0.000 0.806 389 E CB 0.019 29.751 29.700 0.053 0.000 0.750 389 E HN 0.472 nan 8.360 nan 0.000 0.458 390 E N 1.093 121.301 120.200 0.012 0.000 2.047 390 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 390 E C 2.302 178.927 176.600 0.042 0.000 0.987 390 E CA 1.697 58.099 56.400 0.004 0.000 0.799 390 E CB -0.731 28.934 29.700 -0.059 0.000 0.752 390 E HN 0.322 nan 8.360 nan 0.000 0.449 391 T N 2.303 116.870 114.554 0.021 0.000 2.635 391 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 391 T C 1.655 176.426 174.700 0.118 0.000 1.040 391 T CA 1.521 63.655 62.100 0.057 0.000 1.156 391 T CB -0.172 68.711 68.868 0.025 0.000 0.863 391 T HN 0.083 nan 8.240 nan 0.000 0.430 392 E N 0.753 121.004 120.200 0.085 0.000 2.118 392 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 392 E C 2.270 178.914 176.600 0.074 0.000 0.992 392 E CA 0.892 57.335 56.400 0.072 0.000 0.804 392 E CB -0.332 29.401 29.700 0.054 0.000 0.741 392 E HN 0.477 nan 8.360 nan 0.000 0.458 393 R N -0.184 120.364 120.500 0.080 0.000 2.070 393 R HA -0.196 4.144 4.340 -0.000 0.000 0.232 393 R C 2.413 178.773 176.300 0.101 0.000 1.138 393 R CA 1.575 57.718 56.100 0.072 0.000 0.936 393 R CB -0.750 29.585 30.300 0.059 0.000 0.839 393 R HN 0.212 nan 8.270 nan 0.000 0.429 394 Y N 1.487 121.800 120.300 0.022 0.000 2.151 394 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 394 Y C 2.336 178.280 175.900 0.073 0.000 1.166 394 Y CA 2.095 60.223 58.100 0.047 0.000 1.163 394 Y CB -0.058 38.408 38.460 0.010 0.000 0.974 394 Y HN 0.100 nan 8.280 nan 0.000 0.511 395 R N -0.218 120.345 120.500 0.105 0.000 2.066 395 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 395 R C 2.408 178.680 176.300 -0.045 0.000 1.131 395 R CA 1.696 57.808 56.100 0.021 0.000 0.955 395 R CB -0.526 29.815 30.300 0.069 0.000 0.851 395 R HN 0.488 nan 8.270 nan 0.000 0.432 396 Q N -0.001 119.796 119.800 -0.005 0.000 2.096 396 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 396 Q C 1.994 177.972 176.000 -0.037 0.000 0.982 396 Q CA 1.898 57.694 55.803 -0.013 0.000 0.850 396 Q CB -0.098 28.648 28.738 0.014 0.000 0.901 396 Q HN 0.403 nan 8.270 nan 0.000 0.422 397 H N -0.389 118.598 119.070 -0.139 0.000 2.293 397 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 397 H C 1.907 177.110 175.328 -0.209 0.000 1.082 397 H CA 1.937 57.883 56.048 -0.170 0.000 1.308 397 H CB -0.491 29.147 29.762 -0.206 0.000 1.375 397 H HN 0.177 nan 8.280 nan 0.000 0.495 398 V N -0.108 119.564 119.914 -0.404 0.000 2.594 398 V HA -0.145 3.975 4.120 -0.000 0.000 0.253 398 V C 2.176 178.113 176.094 -0.261 0.000 1.069 398 V CA 1.657 63.720 62.300 -0.396 0.000 1.082 398 V CB -0.623 30.983 31.823 -0.362 0.000 0.680 398 V HN 0.388 nan 8.190 nan 0.000 0.469 399 L N 1.041 122.149 121.223 -0.191 0.000 2.056 399 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 399 L C 2.678 179.472 176.870 -0.127 0.000 1.078 399 L CA 2.591 57.356 54.840 -0.124 0.000 0.749 399 L CB -0.764 41.248 42.059 -0.080 0.000 0.901 399 L HN 0.731 nan 8.230 nan 0.000 0.433 400 E N -2.383 117.726 120.200 -0.152 0.000 2.208 400 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 400 E C 1.770 178.276 176.600 -0.156 0.000 0.988 400 E CA 1.480 57.803 56.400 -0.127 0.000 0.828 400 E CB -0.385 29.253 29.700 -0.103 0.000 0.763 400 E HN 0.310 nan 8.360 nan 0.000 0.478 401 T N 0.829 115.232 114.554 -0.251 0.000 2.668 401 T HA -0.049 4.301 4.350 -0.000 0.000 0.262 401 T C 1.539 176.152 174.700 -0.146 0.000 1.045 401 T CA 1.610 63.566 62.100 -0.239 0.000 1.152 401 T CB -0.038 68.600 68.868 -0.384 0.000 0.864 401 T HN 0.176 nan 8.240 nan 0.000 0.419 402 K N 0.084 120.402 120.400 -0.137 0.000 2.353 402 K HA 0.245 4.565 4.320 -0.000 0.000 0.195 402 K C 2.254 178.817 176.600 -0.063 0.000 1.031 402 K CA 0.172 56.409 56.287 -0.085 0.000 1.079 402 K CB 0.390 32.844 32.500 -0.077 0.000 0.857 402 K HN 0.274 nan 8.250 nan 0.000 0.535 403 G N 1.460 110.216 108.800 -0.072 0.000 2.464 403 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.217 403 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.217 403 G C 0.394 175.272 174.900 -0.037 0.000 1.138 403 G CA 0.096 45.166 45.100 -0.051 0.000 0.793 403 G HN 0.052 nan 8.290 nan 0.000 0.539 404 K N 0.221 120.597 120.400 -0.041 0.000 2.518 404 K HA 0.205 4.525 4.320 -0.000 0.000 0.276 404 K C 1.044 177.634 176.600 -0.017 0.000 0.974 404 K CA 0.533 56.803 56.287 -0.029 0.000 0.986 404 K CB 0.352 32.833 32.500 -0.032 0.000 0.901 404 K HN 0.399 nan 8.250 nan 0.000 0.497 405 E N -0.630 119.563 120.200 -0.011 0.000 4.129 405 E HA -0.270 4.080 4.350 -0.000 0.000 0.360 405 E C -0.537 176.067 176.600 0.007 0.000 0.598 405 E CA 0.539 56.938 56.400 -0.002 0.000 1.308 405 E CB -0.489 29.210 29.700 -0.002 0.000 1.777 405 E HN 0.285 nan 8.360 nan 0.000 0.397 406 L N 2.502 123.728 121.223 0.004 0.000 2.426 406 L HA 0.150 4.490 4.340 -0.000 0.000 0.271 406 L C 0.710 177.587 176.870 0.011 0.000 1.169 406 L CA 0.774 55.622 54.840 0.013 0.000 0.836 406 L CB 0.689 42.748 42.059 0.001 0.000 1.112 406 L HN 0.187 nan 8.230 nan 0.000 0.465 407 D N 2.332 122.745 120.400 0.020 0.000 2.414 407 D HA 0.025 4.665 4.640 -0.000 0.000 0.259 407 D C 0.696 177.002 176.300 0.009 0.000 1.269 407 D CA -0.218 53.792 54.000 0.017 0.000 1.028 407 D CB 0.382 41.197 40.800 0.026 0.000 1.093 407 D HN 0.427 nan 8.370 nan 0.000 0.545 408 E N -0.429 119.776 120.200 0.008 0.000 2.072 408 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 408 E C 1.985 178.586 176.600 0.002 0.000 0.985 408 E CA 1.513 57.915 56.400 0.003 0.000 0.801 408 E CB -0.724 28.979 29.700 0.004 0.000 0.750 408 E HN 0.613 nan 8.360 nan 0.000 0.452 409 A N 1.149 123.975 122.820 0.009 0.000 1.972 409 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 409 A C 2.463 180.042 177.584 -0.008 0.000 1.169 409 A CA 1.885 53.926 52.037 0.007 0.000 0.635 409 A CB -0.970 18.044 19.000 0.022 0.000 0.810 409 A HN 0.335 nan 8.150 nan 0.000 0.446 410 G N -0.539 108.259 108.800 -0.005 0.000 2.403 410 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.216 410 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.216 410 G C 1.669 176.554 174.900 -0.025 0.000 1.154 410 G CA 0.938 46.027 45.100 -0.018 0.000 0.784 410 G HN 0.556 nan 8.290 nan 0.000 0.538 411 K N 0.046 120.436 120.400 -0.017 0.000 2.097 411 K HA 0.019 4.338 4.320 -0.000 0.000 0.205 411 K C 2.724 179.310 176.600 -0.023 0.000 1.050 411 K CA 0.534 56.809 56.287 -0.021 0.000 0.938 411 K CB -0.105 32.385 32.500 -0.017 0.000 0.718 411 K HN 0.116 nan 8.250 nan 0.000 0.442 412 R N 0.703 121.191 120.500 -0.020 0.000 2.092 412 R HA -0.109 4.231 4.340 -0.000 0.000 0.231 412 R C 2.377 178.659 176.300 -0.030 0.000 1.119 412 R CA 0.801 56.889 56.100 -0.020 0.000 0.970 412 R CB -0.533 29.758 30.300 -0.015 0.000 0.864 412 R HN 0.151 nan 8.270 nan 0.000 0.440 413 L N 1.315 122.512 121.223 -0.044 0.000 2.017 413 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 413 L C 2.181 179.020 176.870 -0.053 0.000 1.073 413 L CA 1.495 56.294 54.840 -0.069 0.000 0.745 413 L CB -0.568 41.430 42.059 -0.102 0.000 0.894 413 L HN 0.136 nan 8.230 nan 0.000 0.432 414 L N -0.782 120.415 121.223 -0.043 0.000 2.046 414 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 414 L C 2.459 179.321 176.870 -0.014 0.000 1.077 414 L CA 1.704 56.525 54.840 -0.032 0.000 0.747 414 L CB -0.258 41.780 42.059 -0.035 0.000 0.896 414 L HN 0.414 nan 8.230 nan 0.000 0.432 415 E N -0.505 119.687 120.200 -0.014 0.000 2.110 415 E HA -0.298 4.051 4.350 -0.000 0.000 0.193 415 E C 1.934 178.543 176.600 0.014 0.000 0.988 415 E CA 1.310 57.708 56.400 -0.003 0.000 0.804 415 E CB 0.040 29.735 29.700 -0.007 0.000 0.745 415 E HN 0.398 nan 8.360 nan 0.000 0.458 416 E N 1.219 121.429 120.200 0.018 0.000 2.152 416 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 416 E C 1.514 178.201 176.600 0.144 0.000 0.983 416 E CA 1.306 57.744 56.400 0.062 0.000 0.818 416 E CB -0.098 29.614 29.700 0.020 0.000 0.758 416 E HN 0.131 nan 8.360 nan 0.000 0.467 417 D N -0.504 119.949 120.400 0.088 0.000 2.178 417 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 417 D C 1.309 177.648 176.300 0.065 0.000 0.974 417 D CA 0.771 54.837 54.000 0.111 0.000 0.841 417 D CB -0.022 40.800 40.800 0.037 0.000 0.953 417 D HN 0.273 nan 8.370 nan 0.000 0.478 418 L N -0.396 120.852 121.223 0.042 0.000 2.675 418 L HA 0.171 4.511 4.340 -0.000 0.000 0.239 418 L C 1.548 178.414 176.870 -0.006 0.000 1.151 418 L CA 0.130 54.996 54.840 0.044 0.000 0.905 418 L CB -0.006 42.087 42.059 0.057 0.000 1.057 418 L HN -0.110 nan 8.230 nan 0.000 0.435 419 R N -1.328 119.133 120.500 -0.065 0.000 2.509 419 R HA 0.196 4.536 4.340 -0.000 0.000 0.300 419 R C 0.445 176.468 176.300 -0.461 0.000 0.985 419 R CA -0.066 55.939 56.100 -0.158 0.000 1.092 419 R CB 0.583 30.846 30.300 -0.063 0.000 1.237 419 R HN 0.083 nan 8.270 nan 0.000 0.546 420 S N 1.128 116.542 115.700 -0.476 0.000 2.593 420 S HA 0.125 4.595 4.470 -0.000 0.000 0.269 420 S C -1.782 172.637 174.600 -0.302 0.000 1.334 420 S CA -1.124 56.722 58.200 -0.590 0.000 1.015 420 S CB 1.219 64.296 63.200 -0.206 0.000 0.912 420 S HN 0.037 nan 8.310 nan 0.000 0.541 421 P HA -0.086 nan 4.420 nan 0.000 0.218 421 P C 1.612 178.836 177.300 -0.127 0.000 1.148 421 P CA 0.929 63.941 63.100 -0.147 0.000 0.822 421 P CB -0.286 31.352 31.700 -0.104 0.000 0.784 422 C N -2.979 116.255 119.300 -0.109 0.000 2.432 422 C HA -0.054 4.406 4.460 -0.000 0.000 0.282 422 C C 2.389 177.295 174.990 -0.141 0.000 1.388 422 C CA 1.050 60.007 59.018 -0.102 0.000 1.777 422 C CB -2.048 25.663 27.740 -0.049 0.000 1.882 422 C HN 0.181 nan 8.230 nan 0.000 0.520 423 T N 1.174 115.650 114.554 -0.130 0.000 2.684 423 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 423 T C 1.762 176.324 174.700 -0.230 0.000 1.036 423 T CA 2.183 64.196 62.100 -0.145 0.000 1.148 423 T CB -0.449 68.393 68.868 -0.043 0.000 0.863 423 T HN 0.816 nan 8.240 nan 0.000 0.436 424 E N 1.184 121.282 120.200 -0.169 0.000 2.077 424 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 424 E C 2.347 178.817 176.600 -0.217 0.000 0.989 424 E CA 1.415 57.711 56.400 -0.173 0.000 0.800 424 E CB -0.065 29.553 29.700 -0.135 0.000 0.746 424 E HN 0.770 nan 8.360 nan 0.000 0.452 425 E N 0.532 120.612 120.200 -0.199 0.000 2.110 425 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 425 E C 2.205 178.684 176.600 -0.202 0.000 0.988 425 E CA 1.334 57.618 56.400 -0.194 0.000 0.804 425 E CB -0.445 29.155 29.700 -0.167 0.000 0.745 425 E HN 0.382 nan 8.360 nan 0.000 0.458 426 I N 1.676 122.085 120.570 -0.268 0.000 2.179 426 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 426 I C 2.777 178.682 176.117 -0.352 0.000 1.088 426 I CA 1.159 62.274 61.300 -0.308 0.000 1.357 426 I CB -0.384 37.300 38.000 -0.527 0.000 1.051 426 I HN 0.242 nan 8.210 nan 0.000 0.409 427 A N 0.256 122.780 122.820 -0.494 0.000 1.902 427 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 427 A C 2.399 179.845 177.584 -0.231 0.000 1.181 427 A CA 1.702 53.535 52.037 -0.339 0.000 0.623 427 A CB -0.912 17.951 19.000 -0.228 0.000 0.818 427 A HN 0.251 nan 8.150 nan 0.000 0.443 428 V N -1.467 118.278 119.914 -0.281 0.000 2.453 428 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 428 V C 2.233 178.011 176.094 -0.527 0.000 1.048 428 V CA 1.852 63.891 62.300 -0.436 0.000 1.049 428 V CB -0.828 30.691 31.823 -0.507 0.000 0.672 428 V HN 0.655 nan 8.190 nan 0.000 0.457 429 F N 0.554 120.239 119.950 -0.441 0.000 2.146 429 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 429 F C 2.557 178.267 175.800 -0.150 0.000 1.096 429 F CA 1.823 59.656 58.000 -0.278 0.000 1.275 429 F CB 0.032 38.921 39.000 -0.184 0.000 1.008 429 F HN 0.099 nan 8.300 nan 0.000 0.480 430 Q N 0.715 120.404 119.800 -0.185 0.000 2.077 430 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 430 Q C 2.276 178.165 176.000 -0.185 0.000 0.989 430 Q CA 2.350 58.041 55.803 -0.186 0.000 0.853 430 Q CB -0.695 27.998 28.738 -0.075 0.000 0.907 430 Q HN 0.522 nan 8.270 nan 0.000 0.418 431 A N -0.755 121.975 122.820 -0.151 0.000 1.873 431 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 431 A C 1.987 179.600 177.584 0.048 0.000 1.186 431 A CA 1.119 53.121 52.037 -0.058 0.000 0.616 431 A CB -0.952 18.020 19.000 -0.047 0.000 0.823 431 A HN 0.516 nan 8.150 nan 0.000 0.442 432 F N 0.630 120.464 119.950 -0.193 0.000 2.307 432 F HA -0.182 4.345 4.527 -0.000 0.000 0.301 432 F C 2.567 178.195 175.800 -0.286 0.000 1.076 432 F CA 0.644 58.517 58.000 -0.212 0.000 1.383 432 F CB -0.054 38.841 39.000 -0.175 0.000 1.055 432 F HN 0.186 nan 8.300 nan 0.000 0.526 433 S N 0.282 115.863 115.700 -0.199 0.000 2.442 433 S HA -0.206 4.264 4.470 -0.000 0.000 0.236 433 S C 1.917 176.426 174.600 -0.151 0.000 1.007 433 S CA 1.142 59.175 58.200 -0.278 0.000 0.965 433 S CB -0.381 62.596 63.200 -0.372 0.000 0.773 433 S HN 0.503 nan 8.310 nan 0.000 0.504 434 R N 1.414 121.856 120.500 -0.096 0.000 2.081 434 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 434 R C 1.963 178.223 176.300 -0.067 0.000 1.131 434 R CA 1.880 57.941 56.100 -0.064 0.000 0.960 434 R CB -0.813 29.470 30.300 -0.030 0.000 0.856 434 R HN 0.466 nan 8.270 nan 0.000 0.436 435 V N -1.918 117.936 119.914 -0.099 0.000 3.647 435 V HA 0.224 4.344 4.120 -0.000 0.000 0.279 435 V C 1.874 177.871 176.094 -0.160 0.000 1.314 435 V CA 0.199 62.420 62.300 -0.133 0.000 1.125 435 V CB -0.272 31.378 31.823 -0.287 0.000 0.907 435 V HN 0.223 nan 8.190 nan 0.000 0.434 436 I N 1.911 122.392 120.570 -0.149 0.000 2.756 436 I HA -0.153 4.017 4.170 -0.000 0.000 0.262 436 I C 2.786 178.842 176.117 -0.102 0.000 1.225 436 I CA 1.575 62.797 61.300 -0.131 0.000 1.472 436 I CB -0.179 37.747 38.000 -0.123 0.000 1.094 436 I HN 0.446 nan 8.210 nan 0.000 0.454 437 R N 0.819 121.267 120.500 -0.088 0.000 2.235 437 R HA -0.062 4.278 4.340 -0.000 0.000 0.213 437 R C 1.347 177.607 176.300 -0.067 0.000 1.059 437 R CA 0.743 56.801 56.100 -0.071 0.000 0.997 437 R CB -0.510 29.757 30.300 -0.055 0.000 0.884 437 R HN 0.402 nan 8.270 nan 0.000 0.462 438 E N 1.389 121.553 120.200 -0.060 0.000 2.427 438 E HA 0.005 4.355 4.350 -0.000 0.000 0.196 438 E C 1.764 178.321 176.600 -0.070 0.000 1.028 438 E CA 0.546 56.925 56.400 -0.037 0.000 0.864 438 E CB 0.112 29.825 29.700 0.021 0.000 0.813 438 E HN 0.477 nan 8.360 nan 0.000 0.514 439 A N 1.094 123.849 122.820 -0.108 0.000 2.186 439 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 439 A C 2.227 179.647 177.584 -0.274 0.000 1.159 439 A CA 1.402 53.343 52.037 -0.159 0.000 0.680 439 A CB -0.680 18.232 19.000 -0.147 0.000 0.787 439 A HN 0.359 nan 8.150 nan 0.000 0.467 440 G N -0.577 108.094 108.800 -0.216 0.000 2.430 440 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.216 440 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.216 440 G C 1.439 176.272 174.900 -0.111 0.000 1.146 440 G CA 0.914 45.861 45.100 -0.254 0.000 0.793 440 G HN 0.534 nan 8.290 nan 0.000 0.537 441 K N -0.457 119.914 120.400 -0.049 0.000 2.354 441 K HA 0.274 4.593 4.320 -0.000 0.000 0.194 441 K C 1.088 177.686 176.600 -0.003 0.000 1.045 441 K CA 0.102 56.400 56.287 0.017 0.000 1.026 441 K CB 0.505 33.008 32.500 0.006 0.000 0.866 441 K HN 0.522 nan 8.250 nan 0.000 0.530 442 R N -1.693 118.771 120.500 -0.060 0.000 3.142 442 R HA 0.411 4.750 4.340 -0.000 0.000 0.260 442 R C -1.182 174.998 176.300 -0.201 0.000 1.129 442 R CA -0.908 55.130 56.100 -0.103 0.000 0.976 442 R CB 0.322 30.642 30.300 0.034 0.000 1.396 442 R HN -0.188 nan 8.270 nan 0.000 0.434 443 F N 0.721 120.690 119.950 0.032 0.000 2.410 443 F HA 0.489 5.016 4.527 -0.000 0.000 0.349 443 F C -0.187 175.596 175.800 -0.029 0.000 1.117 443 F CA -0.771 57.214 58.000 -0.025 0.000 1.104 443 F CB 2.205 41.178 39.000 -0.045 0.000 1.122 443 F HN 0.019 nan 8.300 nan 0.000 0.483 444 V N 4.975 124.956 119.914 0.112 0.000 2.409 444 V HA 0.423 4.543 4.120 -0.000 0.000 0.291 444 V C -0.573 175.495 176.094 -0.043 0.000 1.020 444 V CA -0.745 61.542 62.300 -0.022 0.000 0.848 444 V CB 1.735 33.491 31.823 -0.112 0.000 0.990 444 V HN 0.457 nan 8.190 nan 0.000 0.430 445 V N 6.604 126.467 119.914 -0.085 0.000 2.409 445 V HA 0.525 4.645 4.120 -0.000 0.000 0.291 445 V C -0.051 175.940 176.094 -0.172 0.000 1.020 445 V CA -0.396 61.847 62.300 -0.095 0.000 0.848 445 V CB 1.612 33.394 31.823 -0.069 0.000 0.990 445 V HN 0.803 nan 8.190 nan 0.000 0.430 446 M N 3.908 123.425 119.600 -0.137 0.000 2.364 446 M HA 0.424 4.904 4.480 -0.000 0.000 0.334 446 M C 0.059 176.365 176.300 0.009 0.000 1.107 446 M CA -0.680 54.530 55.300 -0.150 0.000 0.988 446 M CB 1.978 34.556 32.600 -0.036 0.000 1.673 446 M HN 0.763 nan 8.290 nan 0.000 0.441 447 D N -0.147 120.302 120.400 0.081 0.000 2.342 447 D HA 0.093 4.732 4.640 -0.000 0.000 0.221 447 D C 0.038 176.404 176.300 0.110 0.000 1.101 447 D CA 0.182 54.233 54.000 0.084 0.000 0.837 447 D CB 0.417 41.254 40.800 0.062 0.000 0.938 447 D HN 0.511 nan 8.370 nan 0.000 0.508 448 T N -1.364 113.301 114.554 0.185 0.000 2.830 448 T HA 0.634 4.984 4.350 -0.000 0.000 0.322 448 T C -2.166 172.601 174.700 0.111 0.000 1.501 448 T CA -0.188 61.969 62.100 0.096 0.000 1.036 448 T CB 1.393 70.285 68.868 0.041 0.000 1.379 448 T HN 0.257 nan 8.240 nan 0.000 0.493 449 A N 3.206 126.021 122.820 -0.008 0.000 2.612 449 A HA 0.904 5.223 4.320 -0.000 0.000 0.293 449 A C -3.142 174.320 177.584 -0.203 0.000 1.075 449 A CA -1.281 50.702 52.037 -0.090 0.000 0.680 449 A CB 1.176 20.122 19.000 -0.089 0.000 1.279 449 A HN 0.623 nan 8.150 nan 0.000 0.411 450 P HA 0.423 nan 4.420 nan 0.000 0.276 450 P C 0.323 177.480 177.300 -0.239 0.000 1.261 450 P CA -0.125 62.788 63.100 -0.311 0.000 0.800 450 P CB 0.438 31.878 31.700 -0.433 0.000 1.066 451 T N -3.107 111.351 114.554 -0.159 0.000 2.766 451 T HA 0.258 4.607 4.350 -0.000 0.000 0.295 451 T C 1.631 176.269 174.700 -0.102 0.000 1.024 451 T CA 0.042 62.084 62.100 -0.098 0.000 1.018 451 T CB 0.202 69.057 68.868 -0.022 0.000 1.002 451 T HN 0.445 nan 8.240 nan 0.000 0.532 452 G N -0.150 108.613 108.800 -0.061 0.000 2.418 452 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 452 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 452 G C 1.341 176.221 174.900 -0.032 0.000 1.158 452 G CA 1.251 46.316 45.100 -0.057 0.000 0.771 452 G HN 1.063 nan 8.290 nan 0.000 0.545 453 H N 0.831 119.857 119.070 -0.074 0.000 2.289 453 H HA -0.094 4.462 4.556 -0.000 0.000 0.296 453 H C 2.575 177.865 175.328 -0.063 0.000 1.091 453 H CA 2.472 58.485 56.048 -0.058 0.000 1.274 453 H CB -0.556 29.175 29.762 -0.052 0.000 1.364 453 H HN 0.232 nan 8.280 nan 0.000 0.490 454 T N 1.225 115.618 114.554 -0.268 0.000 2.788 454 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 454 T C 1.998 176.549 174.700 -0.249 0.000 1.044 454 T CA 1.054 62.962 62.100 -0.320 0.000 1.139 454 T CB -0.262 68.498 68.868 -0.181 0.000 0.867 454 T HN 0.088 nan 8.240 nan 0.000 0.454 455 L N 0.989 122.086 121.223 -0.210 0.000 1.989 455 L HA 0.001 4.341 4.340 -0.000 0.000 0.211 455 L C 2.405 179.202 176.870 -0.122 0.000 1.071 455 L CA 1.480 56.213 54.840 -0.177 0.000 0.749 455 L CB -1.361 40.592 42.059 -0.176 0.000 0.890 455 L HN 0.289 nan 8.230 nan 0.000 0.431 456 L N -1.595 119.557 121.223 -0.119 0.000 2.021 456 L HA -0.296 4.044 4.340 -0.000 0.000 0.215 456 L C 2.499 179.310 176.870 -0.098 0.000 1.074 456 L CA 0.900 55.688 54.840 -0.086 0.000 0.760 456 L CB -0.626 41.394 42.059 -0.065 0.000 0.889 456 L HN 0.256 nan 8.230 nan 0.000 0.433 457 L N -0.536 120.581 121.223 -0.178 0.000 2.017 457 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 457 L C 2.361 179.187 176.870 -0.074 0.000 1.073 457 L CA 1.708 56.457 54.840 -0.152 0.000 0.745 457 L CB -0.570 41.331 42.059 -0.264 0.000 0.894 457 L HN 0.142 nan 8.230 nan 0.000 0.432 458 L N -1.049 120.134 121.223 -0.066 0.000 2.141 458 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 458 L C 2.002 178.880 176.870 0.014 0.000 1.094 458 L CA 1.321 56.160 54.840 -0.002 0.000 0.763 458 L CB -0.477 41.595 42.059 0.021 0.000 0.908 458 L HN 0.286 nan 8.230 nan 0.000 0.437 459 D N -0.209 120.189 120.400 -0.004 0.000 2.317 459 D HA -0.078 4.562 4.640 -0.000 0.000 0.211 459 D C 2.079 178.382 176.300 0.006 0.000 0.966 459 D CA 0.896 54.901 54.000 0.008 0.000 0.876 459 D CB 0.312 41.113 40.800 0.001 0.000 0.927 459 D HN 0.235 nan 8.370 nan 0.000 0.519 460 A N -0.475 122.343 122.820 -0.003 0.000 1.898 460 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 460 A C 1.738 179.328 177.584 0.010 0.000 1.181 460 A CA 1.581 53.618 52.037 0.001 0.000 0.620 460 A CB -0.850 18.147 19.000 -0.006 0.000 0.819 460 A HN 0.352 nan 8.150 nan 0.000 0.442 481 P HA 0.228 nan 4.420 nan 0.000 0.226 481 P C 1.028 178.378 177.300 0.083 0.000 1.783 481 P CA -0.420 62.715 63.100 0.059 0.000 0.980 481 P CB 0.125 31.845 31.700 0.033 0.000 1.967 482 M N 1.854 121.496 119.600 0.069 0.000 2.065 482 M HA -0.155 4.325 4.480 -0.000 0.000 0.259 482 M C 2.084 178.411 176.300 0.043 0.000 1.071 482 M CA 2.013 57.346 55.300 0.054 0.000 1.109 482 M CB -0.689 31.932 32.600 0.035 0.000 1.313 482 M HN 0.004 nan 8.290 nan 0.000 0.408 483 M N -0.834 118.787 119.600 0.034 0.000 2.144 483 M HA -0.235 4.245 4.480 -0.000 0.000 0.260 483 M C 1.982 178.300 176.300 0.030 0.000 1.067 483 M CA 1.395 56.714 55.300 0.030 0.000 1.095 483 M CB -0.758 31.855 32.600 0.023 0.000 1.365 483 M HN 0.420 nan 8.290 nan 0.000 0.406 484 L N 0.828 122.067 121.223 0.028 0.000 2.012 484 L HA -0.191 4.148 4.340 -0.000 0.000 0.210 484 L C 2.055 178.944 176.870 0.031 0.000 1.073 484 L CA 1.935 56.786 54.840 0.018 0.000 0.748 484 L CB -0.724 41.343 42.059 0.013 0.000 0.891 484 L HN 0.272 nan 8.230 nan 0.000 0.431 485 L N -1.133 120.122 121.223 0.053 0.000 2.131 485 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 485 L C 2.564 179.466 176.870 0.054 0.000 1.092 485 L CA 1.270 56.145 54.840 0.057 0.000 0.759 485 L CB -0.609 41.488 42.059 0.062 0.000 0.903 485 L HN 0.424 nan 8.230 nan 0.000 0.435 486 Q N -0.759 119.073 119.800 0.053 0.000 2.245 486 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 486 Q C 0.641 176.691 176.000 0.083 0.000 0.955 486 Q CA 0.260 56.105 55.803 0.071 0.000 0.870 486 Q CB -0.007 28.767 28.738 0.061 0.000 0.945 486 Q HN 0.301 nan 8.270 nan 0.000 0.461 487 D N 1.035 121.470 120.400 0.057 0.000 2.382 487 D HA -0.009 4.631 4.640 -0.000 0.000 0.259 487 D C -1.881 174.455 176.300 0.060 0.000 1.224 487 D CA -1.673 52.357 54.000 0.050 0.000 0.894 487 D CB 1.297 42.111 40.800 0.024 0.000 1.127 487 D HN -0.068 nan 8.370 nan 0.000 0.487 488 P HA -0.123 nan 4.420 nan 0.000 0.218 488 P C 0.928 178.275 177.300 0.078 0.000 1.148 488 P CA 0.916 64.084 63.100 0.112 0.000 0.822 488 P CB 0.502 32.272 31.700 0.117 0.000 0.784 489 E N -0.375 119.853 120.200 0.047 0.000 2.005 489 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 489 E C 2.165 178.749 176.600 -0.027 0.000 0.987 489 E CA 1.056 57.469 56.400 0.021 0.000 0.814 489 E CB -0.495 29.223 29.700 0.030 0.000 0.772 489 E HN -0.041 nan 8.360 nan 0.000 0.453 490 R N -0.410 120.066 120.500 -0.039 0.000 2.119 490 R HA -0.070 4.270 4.340 -0.000 0.000 0.246 490 R C 0.301 176.551 176.300 -0.084 0.000 1.146 490 R CA 1.468 57.513 56.100 -0.091 0.000 0.962 490 R CB -0.594 29.659 30.300 -0.078 0.000 0.863 490 R HN 0.176 nan 8.270 nan 0.000 0.442 491 T N 0.985 115.514 114.554 -0.042 0.000 2.841 491 T HA 0.372 4.722 4.350 -0.000 0.000 0.283 491 T C -0.548 174.132 174.700 -0.034 0.000 1.000 491 T CA -0.662 61.420 62.100 -0.030 0.000 0.977 491 T CB 2.375 71.251 68.868 0.012 0.000 0.979 491 T HN -0.036 nan 8.240 nan 0.000 0.446 492 K N 2.341 122.696 120.400 -0.075 0.000 2.559 492 K HA 0.518 4.838 4.320 -0.000 0.000 0.249 492 K C -1.063 175.557 176.600 0.034 0.000 0.958 492 K CA -0.631 55.600 56.287 -0.093 0.000 0.901 492 K CB 1.898 34.105 32.500 -0.488 0.000 1.124 492 K HN 0.309 nan 8.250 nan 0.000 0.437 493 V N 5.182 125.180 119.914 0.140 0.000 2.461 493 V HA 0.290 4.410 4.120 -0.000 0.000 0.275 493 V C -0.057 176.140 176.094 0.172 0.000 1.047 493 V CA -0.541 61.829 62.300 0.116 0.000 0.955 493 V CB 0.771 32.650 31.823 0.092 0.000 0.988 493 V HN 0.587 nan 8.190 nan 0.000 0.471 494 L N 5.867 127.152 121.223 0.104 0.000 2.322 494 L HA 0.518 4.857 4.340 -0.000 0.000 0.281 494 L C -0.820 176.027 176.870 -0.039 0.000 1.014 494 L CA -0.705 54.198 54.840 0.104 0.000 0.815 494 L CB 1.781 43.905 42.059 0.109 0.000 1.247 494 L HN 0.403 nan 8.230 nan 0.000 0.421 495 L N 4.189 125.312 121.223 -0.165 0.000 2.264 495 L HA 0.431 4.771 4.340 -0.000 0.000 0.289 495 L C -0.171 176.476 176.870 -0.372 0.000 1.044 495 L CA -0.107 54.473 54.840 -0.434 0.000 0.807 495 L CB 1.722 43.164 42.059 -1.029 0.000 1.192 495 L HN 0.208 nan 8.230 nan 0.000 0.425 496 V N 3.149 122.905 119.914 -0.264 0.000 2.439 496 V HA 0.740 4.860 4.120 -0.000 0.000 0.282 496 V C 0.307 176.285 176.094 -0.194 0.000 1.039 496 V CA -0.233 61.969 62.300 -0.162 0.000 0.913 496 V CB 1.500 33.268 31.823 -0.091 0.000 0.983 496 V HN 0.882 nan 8.190 nan 0.000 0.460 497 T N 4.379 118.865 114.554 -0.113 0.000 2.647 497 T HA 0.724 5.074 4.350 -0.000 0.000 0.295 497 T C -1.593 173.107 174.700 0.000 0.000 1.126 497 T CA -0.454 61.598 62.100 -0.080 0.000 1.040 497 T CB 1.310 70.115 68.868 -0.105 0.000 1.472 497 T HN 0.396 nan 8.240 nan 0.000 0.500 498 L N 2.063 123.299 121.223 0.022 0.000 2.341 498 L HA 0.558 4.898 4.340 -0.000 0.000 0.267 498 L C -1.973 174.934 176.870 0.062 0.000 1.009 498 L CA -2.407 52.454 54.840 0.036 0.000 0.819 498 L CB 2.402 44.473 42.059 0.020 0.000 1.323 498 L HN 0.477 nan 8.230 nan 0.000 0.425 499 P HA 0.104 nan 4.420 nan 0.000 0.249 499 P C -0.832 176.501 177.300 0.054 0.000 1.686 499 P CA 0.213 63.352 63.100 0.065 0.000 0.873 499 P CB -0.040 31.691 31.700 0.052 0.000 1.828 500 E N -0.967 119.266 120.200 0.055 0.000 2.336 500 E HA 0.214 4.564 4.350 -0.000 0.000 0.267 500 E C 1.256 177.886 176.600 0.050 0.000 0.906 500 E CA -0.676 55.749 56.400 0.043 0.000 0.781 500 E CB 1.234 30.952 29.700 0.030 0.000 1.261 500 E HN -0.060 nan 8.360 nan 0.000 0.436 501 T N -1.435 113.142 114.554 0.039 0.000 2.555 501 T HA -0.242 4.108 4.350 -0.000 0.000 0.264 501 T C 1.741 176.466 174.700 0.041 0.000 1.083 501 T CA 2.158 64.283 62.100 0.042 0.000 1.179 501 T CB -0.798 68.085 68.868 0.026 0.000 0.863 501 T HN 0.416 nan 8.240 nan 0.000 0.412 502 T N 3.159 117.729 114.554 0.027 0.000 2.684 502 T HA -0.014 4.336 4.350 -0.000 0.000 0.267 502 T C -0.349 174.362 174.700 0.018 0.000 1.036 502 T CA 1.685 63.797 62.100 0.021 0.000 1.148 502 T CB -1.450 67.427 68.868 0.014 0.000 0.863 502 T HN 0.399 nan 8.240 nan 0.000 0.436 503 P HA -0.034 nan 4.420 nan 0.000 0.216 503 P C 1.641 178.949 177.300 0.013 0.000 1.150 503 P CA 0.589 63.692 63.100 0.005 0.000 0.837 503 P CB -0.182 31.523 31.700 0.009 0.000 0.786 504 V N -0.543 119.407 119.914 0.061 0.000 2.358 504 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 504 V C 2.358 178.490 176.094 0.063 0.000 1.047 504 V CA 1.535 63.910 62.300 0.125 0.000 1.035 504 V CB -1.212 30.715 31.823 0.173 0.000 0.658 504 V HN 0.062 nan 8.190 nan 0.000 0.452 505 L N 0.430 121.678 121.223 0.042 0.000 2.046 505 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 505 L C 2.327 179.195 176.870 -0.004 0.000 1.077 505 L CA 1.983 56.835 54.840 0.021 0.000 0.747 505 L CB -0.827 41.253 42.059 0.036 0.000 0.896 505 L HN 0.377 nan 8.230 nan 0.000 0.432 506 E N -0.356 119.836 120.200 -0.013 0.000 2.110 506 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 506 E C 2.143 178.696 176.600 -0.078 0.000 0.988 506 E CA 1.067 57.445 56.400 -0.037 0.000 0.804 506 E CB -0.267 29.411 29.700 -0.036 0.000 0.745 506 E HN 0.688 nan 8.360 nan 0.000 0.458 507 A N 1.447 124.196 122.820 -0.119 0.000 1.898 507 A HA -0.051 4.268 4.320 -0.000 0.000 0.216 507 A C 2.383 179.876 177.584 -0.152 0.000 1.181 507 A CA 1.485 53.350 52.037 -0.287 0.000 0.620 507 A CB -0.490 18.173 19.000 -0.562 0.000 0.819 507 A HN 0.282 nan 8.150 nan 0.000 0.442 508 A N 0.361 123.207 122.820 0.043 0.000 1.933 508 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 508 A C 1.884 179.501 177.584 0.054 0.000 1.175 508 A CA 1.695 53.787 52.037 0.091 0.000 0.628 508 A CB -0.845 18.038 19.000 -0.195 0.000 0.814 508 A HN 0.724 nan 8.150 nan 0.000 0.444 509 N N -0.709 117.995 118.700 0.007 0.000 2.244 509 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 509 N C 1.435 176.938 175.510 -0.012 0.000 1.016 509 N CA 0.858 53.910 53.050 0.003 0.000 0.866 509 N CB -0.135 38.347 38.487 -0.008 0.000 0.980 509 N HN 0.276 nan 8.380 nan 0.000 0.430 510 L N 1.499 122.697 121.223 -0.042 0.000 2.093 510 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 510 L C 2.510 179.356 176.870 -0.039 0.000 1.085 510 L CA 1.522 56.324 54.840 -0.063 0.000 0.755 510 L CB -0.705 41.283 42.059 -0.118 0.000 0.904 510 L HN 0.197 nan 8.230 nan 0.000 0.435 511 Q N -0.952 118.850 119.800 0.003 0.000 2.046 511 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 511 Q C 2.202 178.234 176.000 0.053 0.000 0.975 511 Q CA 1.719 57.566 55.803 0.074 0.000 0.836 511 Q CB -0.146 28.752 28.738 0.267 0.000 0.896 511 Q HN 0.452 nan 8.270 nan 0.000 0.428 512 A N 0.713 123.565 122.820 0.055 0.000 1.908 512 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 512 A C 1.800 179.384 177.584 0.001 0.000 1.181 512 A CA 1.966 54.022 52.037 0.033 0.000 0.627 512 A CB -0.939 18.083 19.000 0.037 0.000 0.818 512 A HN 0.621 nan 8.150 nan 0.000 0.445 513 D N -0.436 119.961 120.400 -0.005 0.000 2.117 513 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 513 D C 1.838 178.122 176.300 -0.027 0.000 0.982 513 D CA 1.045 55.038 54.000 -0.012 0.000 0.828 513 D CB -0.185 40.608 40.800 -0.011 0.000 0.967 513 D HN 0.413 nan 8.370 nan 0.000 0.464 514 L N 0.230 121.430 121.223 -0.039 0.000 2.083 514 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 514 L C 2.391 179.204 176.870 -0.096 0.000 1.083 514 L CA 1.121 55.925 54.840 -0.059 0.000 0.752 514 L CB -0.325 41.705 42.059 -0.049 0.000 0.899 514 L HN 0.081 nan 8.230 nan 0.000 0.433 515 E N -0.099 120.032 120.200 -0.116 0.000 2.085 515 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 515 E C 2.276 178.791 176.600 -0.142 0.000 0.994 515 E CA 1.103 57.370 56.400 -0.220 0.000 0.801 515 E CB -0.031 29.569 29.700 -0.168 0.000 0.743 515 E HN 0.405 nan 8.360 nan 0.000 0.453 516 R N 0.189 120.649 120.500 -0.066 0.000 2.159 516 R HA -0.074 4.266 4.340 -0.000 0.000 0.237 516 R C 1.798 178.079 176.300 -0.032 0.000 1.131 516 R CA 1.077 57.158 56.100 -0.032 0.000 0.982 516 R CB -0.110 30.186 30.300 -0.007 0.000 0.868 516 R HN 0.045 nan 8.270 nan 0.000 0.453 517 A N 0.208 123.000 122.820 -0.047 0.000 2.337 517 A HA 0.319 4.639 4.320 -0.000 0.000 0.227 517 A C 1.198 178.759 177.584 -0.038 0.000 1.259 517 A CA 0.407 52.421 52.037 -0.039 0.000 0.870 517 A CB -0.078 18.893 19.000 -0.048 0.000 0.927 517 A HN 0.395 nan 8.150 nan 0.000 0.497 518 G N -0.628 108.137 108.800 -0.058 0.000 2.160 518 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.251 518 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.251 518 G C -0.028 174.861 174.900 -0.018 0.000 1.008 518 G CA 0.513 45.597 45.100 -0.027 0.000 0.724 518 G HN 0.524 nan 8.290 nan 0.000 0.514 519 I N 1.442 121.952 120.570 -0.099 0.000 2.382 519 I HA 0.328 4.497 4.170 -0.000 0.000 0.286 519 I C -0.011 176.050 176.117 -0.094 0.000 1.002 519 I CA -0.846 60.437 61.300 -0.027 0.000 1.135 519 I CB 1.137 39.127 38.000 -0.016 0.000 1.288 519 I HN 0.063 nan 8.210 nan 0.000 0.448 520 H N 6.644 125.764 119.070 0.083 0.000 2.597 520 H HA 0.285 4.841 4.556 -0.000 0.000 0.303 520 H C -2.277 173.140 175.328 0.147 0.000 1.057 520 H CA -1.846 54.264 56.048 0.105 0.000 1.261 520 H CB 1.101 30.920 29.762 0.095 0.000 1.397 520 H HN 0.222 nan 8.280 nan 0.000 0.461 521 P HA -0.125 nan 4.420 nan 0.000 0.261 521 P C 0.522 178.016 177.300 0.323 0.000 1.183 521 P CA 0.196 63.455 63.100 0.266 0.000 0.761 521 P CB 0.567 32.436 31.700 0.282 0.000 0.785 522 W N 4.689 126.072 121.300 0.139 0.000 2.436 522 W HA 0.120 4.779 4.660 -0.000 0.000 0.284 522 W C 0.630 177.231 176.519 0.136 0.000 1.225 522 W CA 1.838 59.253 57.345 0.117 0.000 1.271 522 W CB 0.199 29.707 29.460 0.081 0.000 1.114 522 W HN 0.449 nan 8.180 nan 0.000 0.559 523 G N -2.312 106.674 108.800 0.310 0.000 2.576 523 G HA2 0.394 4.354 3.960 -0.000 0.000 0.290 523 G HA3 0.394 4.354 3.960 -0.000 0.000 0.290 523 G C -2.422 172.730 174.900 0.420 0.000 1.442 523 G CA -0.959 44.265 45.100 0.207 0.000 0.792 523 G HN -0.047 nan 8.290 nan 0.000 0.491 524 W N -0.031 121.278 121.300 0.015 0.000 2.666 524 W HA 0.752 5.412 4.660 -0.000 0.000 0.334 524 W C -0.208 176.327 176.519 0.026 0.000 1.051 524 W CA -0.876 56.485 57.345 0.027 0.000 1.224 524 W CB 1.817 31.288 29.460 0.020 0.000 1.405 524 W HN 0.260 nan 8.180 nan 0.000 0.513 525 I N 5.072 125.760 120.570 0.196 0.000 2.382 525 I HA 0.285 4.455 4.170 -0.000 0.000 0.285 525 I C -0.351 175.827 176.117 0.103 0.000 1.007 525 I CA -0.797 60.577 61.300 0.122 0.000 1.142 525 I CB 0.859 38.898 38.000 0.065 0.000 1.289 525 I HN 0.147 nan 8.210 nan 0.000 0.453 526 I N 5.798 126.441 120.570 0.121 0.000 2.294 526 I HA 0.133 4.303 4.170 -0.000 0.000 0.295 526 I C 0.280 176.433 176.117 0.060 0.000 1.098 526 I CA -0.101 61.260 61.300 0.102 0.000 1.277 526 I CB 0.164 38.231 38.000 0.112 0.000 1.434 526 I HN 0.562 nan 8.210 nan 0.000 0.498 527 N N 4.991 123.714 118.700 0.039 0.000 2.463 527 N HA 0.180 4.920 4.740 -0.000 0.000 0.270 527 N C -0.206 175.319 175.510 0.026 0.000 1.205 527 N CA -0.252 52.813 53.050 0.026 0.000 0.974 527 N CB 0.507 39.001 38.487 0.012 0.000 1.197 527 N HN 0.462 nan 8.380 nan 0.000 0.504 528 N N -0.800 117.914 118.700 0.023 0.000 2.671 528 N HA -0.214 4.526 4.740 -0.000 0.000 0.261 528 N C -1.482 174.045 175.510 0.028 0.000 1.053 528 N CA 0.681 53.745 53.050 0.024 0.000 0.732 528 N CB -0.989 37.510 38.487 0.020 0.000 0.887 528 N HN 0.432 nan 8.380 nan 0.000 0.546 529 S N -0.253 115.465 115.700 0.030 0.000 2.525 529 S HA 0.559 5.029 4.470 -0.000 0.000 0.290 529 S C 1.016 175.634 174.600 0.030 0.000 1.152 529 S CA -0.875 57.344 58.200 0.032 0.000 1.072 529 S CB 1.025 64.245 63.200 0.034 0.000 1.027 529 S HN 0.367 nan 8.310 nan 0.000 0.500 530 L N 3.481 124.722 121.223 0.030 0.000 2.253 530 L HA 0.055 4.395 4.340 -0.000 0.000 0.205 530 L C 2.663 179.549 176.870 0.027 0.000 1.078 530 L CA 0.820 55.677 54.840 0.029 0.000 0.805 530 L CB -0.490 41.586 42.059 0.029 0.000 0.963 530 L HN 0.849 nan 8.230 nan 0.000 0.459 531 S N 0.198 115.913 115.700 0.025 0.000 2.419 531 S HA -0.236 4.234 4.470 -0.000 0.000 0.235 531 S C 1.798 176.412 174.600 0.024 0.000 1.019 531 S CA 1.215 59.428 58.200 0.023 0.000 0.982 531 S CB -0.548 62.665 63.200 0.021 0.000 0.789 531 S HN 0.498 nan 8.310 nan 0.000 0.490 532 I N 0.817 121.403 120.570 0.026 0.000 3.728 532 I HA 0.339 4.509 4.170 -0.000 0.000 0.307 532 I C 0.881 177.016 176.117 0.029 0.000 1.276 532 I CA -0.067 61.249 61.300 0.027 0.000 1.285 532 I CB -0.213 37.803 38.000 0.026 0.000 1.038 532 I HN 0.386 nan 8.210 nan 0.000 0.445 533 A N 0.983 123.820 122.820 0.028 0.000 2.279 533 A HA 0.400 4.720 4.320 -0.000 0.000 0.303 533 A C -1.037 176.563 177.584 0.027 0.000 1.108 533 A CA -0.539 51.515 52.037 0.029 0.000 0.830 533 A CB 0.336 19.354 19.000 0.029 0.000 1.106 533 A HN 0.435 nan 8.150 nan 0.000 0.493 534 D N 0.350 120.767 120.400 0.027 0.000 2.329 534 D HA 0.532 5.172 4.640 -0.000 0.000 0.232 534 D C -0.370 175.944 176.300 0.023 0.000 1.088 534 D CA -0.225 53.790 54.000 0.024 0.000 0.835 534 D CB 1.375 42.189 40.800 0.024 0.000 1.078 534 D HN 0.388 nan 8.370 nan 0.000 0.495 535 T N 0.757 115.323 114.554 0.021 0.000 2.889 535 T HA 0.419 4.769 4.350 -0.000 0.000 0.315 535 T C -0.191 174.517 174.700 0.014 0.000 1.291 535 T CA -0.794 61.318 62.100 0.019 0.000 1.028 535 T CB 1.310 70.192 68.868 0.024 0.000 1.235 535 T HN 0.390 nan 8.240 nan 0.000 0.491 536 R N 1.203 121.709 120.500 0.010 0.000 2.404 536 R HA 0.258 4.598 4.340 -0.000 0.000 0.237 536 R C 0.733 177.034 176.300 0.001 0.000 0.907 536 R CA -0.214 55.889 56.100 0.005 0.000 1.063 536 R CB 0.509 30.810 30.300 0.002 0.000 1.134 536 R HN 0.532 nan 8.270 nan 0.000 0.529 537 S N 3.009 118.711 115.700 0.004 0.000 2.509 537 S HA 0.060 4.530 4.470 -0.000 0.000 0.287 537 S C -1.242 173.359 174.600 0.002 0.000 1.248 537 S CA -1.382 56.819 58.200 0.001 0.000 1.089 537 S CB 0.775 63.981 63.200 0.010 0.000 0.900 537 S HN 0.048 nan 8.310 nan 0.000 0.496 538 P HA -0.148 nan 4.420 nan 0.000 0.215 538 P C 1.650 178.950 177.300 0.001 0.000 1.153 538 P CA 0.638 63.736 63.100 -0.004 0.000 0.853 538 P CB 0.017 31.710 31.700 -0.011 0.000 0.788 539 L N -0.429 120.794 121.223 0.001 0.000 2.012 539 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 539 L C 2.502 179.384 176.870 0.020 0.000 1.073 539 L CA 1.846 56.691 54.840 0.009 0.000 0.748 539 L CB -1.520 40.546 42.059 0.012 0.000 0.891 539 L HN -0.181 nan 8.230 nan 0.000 0.431 540 L N -0.369 120.868 121.223 0.023 0.000 2.012 540 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 540 L C 2.783 179.667 176.870 0.023 0.000 1.073 540 L CA 1.850 56.708 54.840 0.028 0.000 0.748 540 L CB -1.308 40.770 42.059 0.031 0.000 0.891 540 L HN 0.390 nan 8.230 nan 0.000 0.431 541 R N -1.098 119.412 120.500 0.017 0.000 2.120 541 R HA -0.205 4.135 4.340 -0.000 0.000 0.234 541 R C 2.146 178.454 176.300 0.013 0.000 1.123 541 R CA 1.250 57.359 56.100 0.015 0.000 0.975 541 R CB -0.300 30.006 30.300 0.010 0.000 0.866 541 R HN 0.199 nan 8.270 nan 0.000 0.446 542 M N 0.499 120.107 119.600 0.012 0.000 2.132 542 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 542 M C 1.863 178.172 176.300 0.015 0.000 1.065 542 M CA 1.647 56.954 55.300 0.011 0.000 1.122 542 M CB 0.013 32.619 32.600 0.010 0.000 1.365 542 M HN -0.142 nan 8.290 nan 0.000 0.411 543 R N -0.043 120.469 120.500 0.020 0.000 2.075 543 R HA 0.075 4.415 4.340 -0.000 0.000 0.232 543 R C 2.235 178.548 176.300 0.021 0.000 1.126 543 R CA 1.509 57.622 56.100 0.023 0.000 0.963 543 R CB -1.741 28.577 30.300 0.029 0.000 0.858 543 R HN 0.512 nan 8.270 nan 0.000 0.435 544 A N 1.128 123.961 122.820 0.022 0.000 1.948 544 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 544 A C 2.195 179.789 177.584 0.018 0.000 1.177 544 A CA 1.867 53.917 52.037 0.021 0.000 0.636 544 A CB -0.535 18.478 19.000 0.020 0.000 0.815 544 A HN 0.446 nan 8.150 nan 0.000 0.449 545 Q N -1.195 118.614 119.800 0.015 0.000 2.167 545 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 545 Q C 2.002 178.009 176.000 0.011 0.000 0.970 545 Q CA 1.309 57.119 55.803 0.012 0.000 0.855 545 Q CB -0.099 28.645 28.738 0.009 0.000 0.911 545 Q HN 0.632 nan 8.270 nan 0.000 0.438 546 Q N 0.359 120.167 119.800 0.013 0.000 2.291 546 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 546 Q C 1.464 177.474 176.000 0.016 0.000 0.976 546 Q CA 1.190 57.001 55.803 0.013 0.000 0.875 546 Q CB 0.093 28.839 28.738 0.013 0.000 0.927 546 Q HN 0.595 nan 8.270 nan 0.000 0.450 547 E N 0.402 120.614 120.200 0.020 0.000 2.152 547 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 547 E C 2.149 178.763 176.600 0.023 0.000 0.983 547 E CA 0.199 56.614 56.400 0.025 0.000 0.818 547 E CB -0.081 29.636 29.700 0.028 0.000 0.758 547 E HN 0.274 nan 8.360 nan 0.000 0.467 548 L N 0.909 122.142 121.223 0.017 0.000 1.991 548 L HA -0.227 4.113 4.340 -0.000 0.000 0.221 548 L C -0.459 176.416 176.870 0.009 0.000 1.079 548 L CA 1.833 56.679 54.840 0.011 0.000 0.778 548 L CB -1.830 40.233 42.059 0.007 0.000 0.893 548 L HN 0.135 nan 8.230 nan 0.000 0.437 549 P HA -0.183 nan 4.420 nan 0.000 0.215 549 P C 1.475 178.784 177.300 0.015 0.000 1.157 549 P CA 1.220 64.323 63.100 0.006 0.000 0.868 549 P CB 0.042 31.746 31.700 0.006 0.000 0.788 550 Q N -0.727 119.091 119.800 0.030 0.000 2.050 550 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 550 Q C 2.172 178.206 176.000 0.057 0.000 0.980 550 Q CA 1.354 57.189 55.803 0.054 0.000 0.840 550 Q CB -1.114 27.662 28.738 0.064 0.000 0.898 550 Q HN 0.275 nan 8.270 nan 0.000 0.424 551 I N 0.441 121.037 120.570 0.043 0.000 2.361 551 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 551 I C 2.155 178.276 176.117 0.006 0.000 1.133 551 I CA 0.889 62.212 61.300 0.038 0.000 1.413 551 I CB -0.201 37.818 38.000 0.031 0.000 1.073 551 I HN 0.222 nan 8.210 nan 0.000 0.424 552 E N 0.868 121.064 120.200 -0.007 0.000 2.107 552 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 552 E C 2.373 178.931 176.600 -0.070 0.000 0.982 552 E CA 1.649 58.028 56.400 -0.036 0.000 0.809 552 E CB -0.043 29.639 29.700 -0.031 0.000 0.756 552 E HN 0.509 nan 8.360 nan 0.000 0.459 553 S N -0.341 115.326 115.700 -0.056 0.000 2.423 553 S HA -0.066 4.404 4.470 -0.000 0.000 0.231 553 S C 2.154 176.637 174.600 -0.196 0.000 1.014 553 S CA 0.953 59.078 58.200 -0.125 0.000 0.965 553 S CB -0.294 62.881 63.200 -0.041 0.000 0.785 553 S HN 0.027 nan 8.310 nan 0.000 0.495 554 V N 1.805 121.679 119.914 -0.066 0.000 2.488 554 V HA -0.016 4.104 4.120 -0.000 0.000 0.246 554 V C 2.728 178.676 176.094 -0.243 0.000 1.046 554 V CA 1.763 63.982 62.300 -0.135 0.000 1.053 554 V CB -0.588 31.233 31.823 -0.003 0.000 0.679 554 V HN 0.496 nan 8.190 nan 0.000 0.458 555 K N 0.418 120.727 120.400 -0.152 0.000 2.062 555 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 555 K C 1.468 177.964 176.600 -0.173 0.000 1.051 555 K CA 1.113 57.314 56.287 -0.144 0.000 0.941 555 K CB 0.068 32.515 32.500 -0.088 0.000 0.719 555 K HN 0.322 nan 8.250 nan 0.000 0.440 556 R N -0.097 120.295 120.500 -0.180 0.000 3.039 556 R HA 0.104 4.444 4.340 -0.000 0.000 0.336 556 R C 0.610 176.768 176.300 -0.237 0.000 1.258 556 R CA -0.027 55.967 56.100 -0.177 0.000 1.125 556 R CB 0.728 30.951 30.300 -0.129 0.000 1.427 556 R HN 0.288 nan 8.270 nan 0.000 0.588 557 Q N -1.693 117.906 119.800 -0.336 0.000 1.527 557 Q HA 0.015 4.354 4.340 -0.000 0.000 0.160 557 Q C 0.337 176.040 176.000 -0.496 0.000 0.633 557 Q CA 0.135 55.677 55.803 -0.435 0.000 0.681 557 Q CB 0.322 28.706 28.738 -0.590 0.000 1.163 557 Q HN 0.534 nan 8.270 nan 0.000 0.361 558 H N -0.645 118.185 119.070 -0.400 0.000 2.695 558 H HA 0.610 5.166 4.556 -0.000 0.000 0.267 558 H C 0.072 174.923 175.328 -0.794 0.000 0.973 558 H CA 0.327 55.996 56.048 -0.632 0.000 1.223 558 H CB 1.696 30.802 29.762 -1.094 0.000 1.442 558 H HN 0.181 nan 8.280 nan 0.000 0.478 559 A N 0.199 122.646 122.820 -0.621 0.000 2.498 559 A HA 0.465 4.785 4.320 -0.000 0.000 0.298 559 A C 0.666 178.083 177.584 -0.278 0.000 1.075 559 A CA -0.153 51.579 52.037 -0.508 0.000 0.714 559 A CB 1.314 19.909 19.000 -0.676 0.000 1.299 559 A HN 0.245 nan 8.150 nan 0.000 0.407 560 S N 0.997 116.570 115.700 -0.211 0.000 2.371 560 S HA 0.139 4.609 4.470 -0.000 0.000 0.219 560 S C 0.757 175.239 174.600 -0.198 0.000 1.040 560 S CA 0.279 58.366 58.200 -0.189 0.000 0.958 560 S CB -0.175 62.910 63.200 -0.191 0.000 0.860 560 S HN 0.655 nan 8.310 nan 0.000 0.487 561 R N 1.092 121.447 120.500 -0.243 0.000 2.255 561 R HA 0.699 5.039 4.340 -0.000 0.000 0.326 561 R C -1.595 174.644 176.300 -0.101 0.000 0.986 561 R CA -0.321 55.636 56.100 -0.240 0.000 0.847 561 R CB 1.720 31.720 30.300 -0.499 0.000 1.111 561 R HN 0.182 nan 8.270 nan 0.000 0.452 562 V N 1.664 121.549 119.914 -0.050 0.000 2.789 562 V HA 0.738 4.858 4.120 -0.000 0.000 0.311 562 V C -0.502 175.614 176.094 0.038 0.000 1.073 562 V CA -0.952 61.367 62.300 0.032 0.000 0.921 562 V CB 1.996 33.826 31.823 0.013 0.000 1.009 562 V HN 0.889 nan 8.190 nan 0.000 0.426 563 A N 3.977 126.842 122.820 0.074 0.000 2.401 563 A HA 0.919 5.239 4.320 -0.000 0.000 0.310 563 A C -1.303 176.315 177.584 0.056 0.000 1.075 563 A CA -0.614 51.455 52.037 0.054 0.000 0.746 563 A CB 1.576 20.612 19.000 0.060 0.000 1.277 563 A HN 0.770 nan 8.150 nan 0.000 0.425 564 L N 2.398 123.643 121.223 0.037 0.000 2.333 564 L HA 0.562 4.902 4.340 -0.000 0.000 0.280 564 L C -1.184 175.703 176.870 0.028 0.000 1.004 564 L CA -0.750 54.111 54.840 0.036 0.000 0.820 564 L CB 1.807 43.884 42.059 0.029 0.000 1.247 564 L HN 0.498 nan 8.230 nan 0.000 0.416 565 V N 5.510 125.443 119.914 0.031 0.000 2.495 565 V HA 0.457 4.577 4.120 -0.000 0.000 0.298 565 V C -2.091 174.018 176.094 0.026 0.000 1.031 565 V CA -1.579 60.735 62.300 0.024 0.000 0.871 565 V CB 2.051 33.887 31.823 0.022 0.000 0.988 565 V HN 0.599 nan 8.190 nan 0.000 0.432 566 P HA 0.210 nan 4.420 nan 0.000 0.276 566 P C -0.434 176.881 177.300 0.025 0.000 1.244 566 P CA -0.150 62.965 63.100 0.026 0.000 0.801 566 P CB 1.309 33.026 31.700 0.027 0.000 1.006 567 V N 3.607 123.537 119.914 0.027 0.000 2.521 567 V HA -0.024 4.096 4.120 -0.000 0.000 0.286 567 V C 1.807 177.917 176.094 0.026 0.000 1.034 567 V CA 0.419 62.735 62.300 0.026 0.000 1.045 567 V CB -0.007 31.834 31.823 0.030 0.000 0.974 567 V HN 0.483 nan 8.190 nan 0.000 0.480 568 L N 4.116 125.354 121.223 0.024 0.000 2.607 568 L HA 0.419 4.759 4.340 -0.000 0.000 0.228 568 L C 1.063 177.949 176.870 0.026 0.000 1.123 568 L CA 0.755 55.609 54.840 0.024 0.000 0.890 568 L CB -0.215 41.855 42.059 0.020 0.000 1.103 568 L HN 0.971 nan 8.230 nan 0.000 0.468 569 A N 0.021 122.858 122.820 0.028 0.000 2.770 569 A HA -0.136 4.183 4.320 -0.000 0.000 0.674 569 A C 0.933 178.532 177.584 0.024 0.000 0.315 569 A CA 0.247 52.303 52.037 0.031 0.000 0.133 569 A CB -1.390 17.633 19.000 0.039 0.000 3.903 569 A HN 0.950 nan 8.150 nan 0.000 0.543 570 S N -0.528 115.185 115.700 0.021 0.000 3.236 570 S HA -0.096 4.373 4.470 -0.000 0.000 0.629 570 S C -0.187 174.419 174.600 0.010 0.000 2.873 570 S CA 2.193 60.402 58.200 0.014 0.000 3.603 570 S CB -0.891 62.318 63.200 0.016 0.000 0.287 570 S HN 2.450 nan 8.310 nan 0.000 1.458 571 E N 2.346 122.551 120.200 0.009 0.000 2.275 571 E HA 0.574 4.924 4.350 -0.000 0.000 0.270 571 E C -2.767 173.837 176.600 0.008 0.000 0.882 571 E CA -1.595 54.809 56.400 0.007 0.000 0.758 571 E CB 1.774 31.476 29.700 0.004 0.000 1.195 571 E HN 0.547 nan 8.360 nan 0.000 0.419 572 P HA 0.078 nan 4.420 nan 0.000 0.244 572 P C -0.192 177.112 177.300 0.006 0.000 1.769 572 P CA -0.016 63.089 63.100 0.008 0.000 1.102 572 P CB 0.327 32.031 31.700 0.008 0.000 1.937 573 T N -0.324 114.234 114.554 0.006 0.000 3.031 573 T HA 0.110 4.460 4.350 -0.000 0.000 0.254 573 T C 1.173 175.876 174.700 0.006 0.000 1.060 573 T CA 0.611 62.715 62.100 0.006 0.000 1.135 573 T CB 0.142 69.013 68.868 0.006 0.000 0.896 573 T HN 0.357 nan 8.240 nan 0.000 0.472 574 G N 0.969 109.773 108.800 0.006 0.000 2.389 574 G HA2 0.507 4.466 3.960 -0.000 0.000 0.317 574 G HA3 0.507 4.466 3.960 -0.000 0.000 0.317 574 G C 1.183 176.086 174.900 0.006 0.000 1.137 574 G CA -0.848 44.256 45.100 0.006 0.000 0.870 574 G HN 0.398 nan 8.290 nan 0.000 0.496 575 I N -0.707 119.866 120.570 0.005 0.000 2.290 575 I HA -0.225 3.945 4.170 -0.000 0.000 0.253 575 I C 1.500 177.621 176.117 0.005 0.000 1.112 575 I CA 1.591 62.894 61.300 0.004 0.000 1.377 575 I CB -0.301 37.701 38.000 0.004 0.000 1.060 575 I HN 0.236 nan 8.210 nan 0.000 0.428 576 D N 2.029 122.433 120.400 0.006 0.000 2.088 576 D HA -0.150 4.490 4.640 -0.000 0.000 0.191 576 D C 2.230 178.535 176.300 0.009 0.000 0.992 576 D CA 1.380 55.385 54.000 0.008 0.000 0.831 576 D CB -0.258 40.547 40.800 0.008 0.000 0.973 576 D HN 0.312 nan 8.370 nan 0.000 0.447 577 K N 0.195 120.601 120.400 0.009 0.000 2.074 577 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 577 K C 2.167 178.772 176.600 0.009 0.000 1.048 577 K CA 0.382 56.676 56.287 0.011 0.000 0.926 577 K CB -0.767 31.739 32.500 0.010 0.000 0.713 577 K HN 0.134 nan 8.250 nan 0.000 0.444 578 L N 1.900 123.127 121.223 0.007 0.000 2.042 578 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 578 L C 2.091 178.963 176.870 0.003 0.000 1.076 578 L CA 1.792 56.634 54.840 0.004 0.000 0.749 578 L CB -0.332 41.728 42.059 0.002 0.000 0.893 578 L HN 0.128 nan 8.230 nan 0.000 0.432 579 K N -1.415 118.989 120.400 0.005 0.000 2.217 579 K HA -0.172 4.148 4.320 -0.000 0.000 0.202 579 K C 2.041 178.648 176.600 0.011 0.000 1.051 579 K CA 0.911 57.201 56.287 0.006 0.000 0.952 579 K CB -0.054 32.451 32.500 0.008 0.000 0.736 579 K HN 0.418 nan 8.250 nan 0.000 0.453 580 Q N 0.813 120.622 119.800 0.013 0.000 2.230 580 Q HA -0.036 4.304 4.340 -0.000 0.000 0.202 580 Q C 1.905 177.917 176.000 0.019 0.000 0.963 580 Q CA 0.631 56.445 55.803 0.019 0.000 0.866 580 Q CB 0.143 28.892 28.738 0.018 0.000 0.931 580 Q HN 0.288 nan 8.270 nan 0.000 0.452 581 L N -0.332 120.898 121.223 0.013 0.000 2.093 581 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 581 L C 2.448 179.322 176.870 0.007 0.000 1.085 581 L CA 0.926 55.773 54.840 0.011 0.000 0.755 581 L CB -0.508 41.556 42.059 0.008 0.000 0.904 581 L HN 0.232 nan 8.230 nan 0.000 0.435 582 A N -0.235 122.586 122.820 0.002 0.000 1.898 582 A HA 0.227 4.547 4.320 -0.000 0.000 0.216 582 A C 1.411 178.987 177.584 -0.014 0.000 1.181 582 A CA 1.198 53.228 52.037 -0.011 0.000 0.620 582 A CB -0.743 18.246 19.000 -0.019 0.000 0.819 582 A HN 0.500 nan 8.150 nan 0.000 0.442 583 G N -1.248 107.558 108.800 0.010 0.000 2.728 583 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.294 583 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.294 583 G C -0.134 174.787 174.900 0.034 0.000 1.342 583 G CA -0.100 45.018 45.100 0.029 0.000 0.866 583 G HN 1.491 nan 8.290 nan 0.000 0.534 584 H N 0.035 119.083 119.070 -0.037 0.000 2.499 584 H HA 0.666 5.221 4.556 -0.000 0.000 0.352 584 H C 0.471 175.753 175.328 -0.075 0.000 1.237 584 H CA -0.187 55.825 56.048 -0.061 0.000 1.343 584 H CB 0.741 30.448 29.762 -0.092 0.000 1.578 584 H HN 0.719 nan 8.280 nan 0.000 0.577 585 H N 0.773 119.783 119.070 -0.101 0.000 2.745 585 H HA 0.027 4.583 4.556 -0.000 0.000 0.373 585 H C 0.924 176.051 175.328 -0.334 0.000 1.226 585 H CA 1.272 57.229 56.048 -0.152 0.000 1.435 585 H CB 0.097 29.828 29.762 -0.052 0.000 1.461 585 H HN 0.978 nan 8.280 nan 0.000 0.616 586 H N 0.000 119.412 119.070 0.570 0.000 2.539 586 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 586 H CA 0.000 56.190 56.048 0.236 0.000 1.023 586 H CB 0.000 29.828 29.762 0.111 0.000 1.292 586 H HN 0.000 nan 8.280 nan 0.000 0.496