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 1jzq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFKEVGEPNF PKLEEEVLAF WKREKIFQKS VENRKGGPRY TVYEGPPTAN DATA SEQUENCE GLPHVGHAQA RSYKDLFPRY KTMRGYYAPR RAGWDTHGLP VELEVEKKLG DATA SEQUENCE LKSKREIEAY GIERFNQACR ESVFTYEKEW EAFTERIAYW VDLEDAYATL DATA SEQUENCE EPTYIESIWW SLKNLFDRGL LYRDHKVVPY CPRCGTPLSS HEVALGYKEI DATA SEQUENCE QDPSVYVRFP LKEPKKLGLE KASLLIWTTT PWTLPGNVAA AVHPEYTYAA DATA SEQUENCE FQVGDEALIL EEGLGRKLLG EGTQVLKTFP GKALEGLPYT PPYPQALEKG DATA SEQUENCE YFVVLADYVS QEDGTGIVHQ APAFGAEDLE TARVYGLPLL KTVDEEGKLL DATA SEQUENCE VEPFKGLYFR EANRAILRDL RGRGLLFKEE SYLHSYPHCW RCSTPLMYYA DATA SEQUENCE TESWFIKNTL FKDELIRNNQ EIHWVPPHIK EGRYGEWLKN LVDWALSRNR DATA SEQUENCE YWGTPLPIWV CQACGKEEAI GSFQELKARA TKPLPEPFDP HRPYVDQVEL DATA SEQUENCE ACACGGTMRR VPYVIDVWYD SGAMPFASLH YPFEHEEVFR ESFPADFIAE DATA SEQUENCE GIDQTRGWFN SLHQLGVMLF GSIAFKNVIC HGLILDEKGQ KMSKSKGNVV DATA SEQUENCE DPWDIIRKFG ADALRWYIYV SAPPEADRRF GPNLVRETVR DYFLTLWNVY DATA SEQUENCE SFFVTYANLD RPDLKNPPPP EKRPEMDRWL LARMQDLIQR VTEALEAYDP DATA SEQUENCE TTSARALRDF VVEDLSQWYV RRNRRRFWKN EDALDREAAY ATLYEALVLV DATA SEQUENCE ATLAAPFTPF LAEVLWQNLV RSVRLEAKES VHLADWPEAD PALADEALVA DATA SEQUENCE QMRAVLKVVD LARAARAKSG V 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 0.000 175.990 176.300 -0.517 0.000 1.140 1 M CA 0.000 55.029 55.300 -0.451 0.000 0.988 1 M CB 0.000 32.184 32.600 -0.693 0.000 1.302 2 F N 2.431 122.348 119.950 -0.054 0.000 2.470 2 F HA 0.525 5.050 4.527 -0.003 0.000 0.329 2 F C 0.320 176.102 175.800 -0.030 0.000 1.072 2 F CA -0.655 57.331 58.000 -0.023 0.000 0.989 2 F CB 0.926 39.920 39.000 -0.009 0.000 1.193 2 F HN -0.099 nan 8.300 nan 0.000 0.481 3 K N 1.627 122.144 120.400 0.195 0.000 2.319 3 K HA 0.043 4.361 4.320 -0.003 0.000 0.265 3 K C 0.478 177.115 176.600 0.060 0.000 1.000 3 K CA -0.496 55.852 56.287 0.102 0.000 0.943 3 K CB 0.519 33.080 32.500 0.102 0.000 0.950 3 K HN 0.709 nan 8.250 nan 0.000 0.485 4 E N 2.713 122.932 120.200 0.031 0.000 2.468 4 E HA -0.098 4.250 4.350 -0.003 0.000 0.263 4 E C 0.561 177.140 176.600 -0.035 0.000 1.192 4 E CA 0.395 56.791 56.400 -0.006 0.000 1.016 4 E CB 0.421 30.130 29.700 0.015 0.000 0.980 4 E HN 0.357 nan 8.360 nan 0.000 0.467 5 V N -0.460 119.406 119.914 -0.081 0.000 2.339 5 V HA 0.394 4.513 4.120 -0.003 0.000 0.234 5 V C 1.358 177.559 176.094 0.179 0.000 1.053 5 V CA 1.027 63.270 62.300 -0.096 0.000 1.042 5 V CB -1.706 29.967 31.823 -0.249 0.000 0.678 5 V HN 1.216 nan 8.190 nan 0.000 0.475 6 G N 0.158 109.076 108.800 0.197 0.000 2.663 6 G HA2 -0.080 3.878 3.960 -0.003 0.000 0.686 6 G HA3 -0.080 3.878 3.960 -0.003 0.000 0.686 6 G C -0.743 174.323 174.900 0.278 0.000 1.246 6 G CA -0.323 44.901 45.100 0.206 0.000 0.795 6 G HN 0.897 nan 8.290 nan 0.000 0.627 7 E N 0.704 120.955 120.200 0.086 0.000 2.459 7 E HA 0.312 4.660 4.350 -0.003 0.000 0.264 7 E C -2.013 174.376 176.600 -0.351 0.000 1.055 7 E CA -0.409 55.952 56.400 -0.066 0.000 0.957 7 E CB 0.468 30.100 29.700 -0.112 0.000 0.952 7 E HN 0.301 nan 8.360 nan 0.000 0.448 8 P HA 0.044 nan 4.420 nan 0.000 0.230 8 P C -0.913 175.584 177.300 -1.338 0.000 1.791 8 P CA 0.002 62.102 63.100 -1.667 0.000 1.020 8 P CB -0.090 30.616 31.700 -1.656 0.000 1.977 9 N N 1.693 119.894 118.700 -0.832 0.000 3.188 9 N HA 0.107 4.845 4.740 -0.003 0.000 0.279 9 N C 0.764 176.033 175.510 -0.401 0.000 1.213 9 N CA -0.298 52.447 53.050 -0.508 0.000 1.138 9 N CB -0.413 37.920 38.487 -0.257 0.000 1.417 9 N HN 0.088 nan 8.380 nan 0.000 0.526 10 F N 1.778 121.616 119.950 -0.187 0.000 2.063 10 F HA -0.150 4.375 4.527 -0.003 0.000 0.298 10 F C -0.336 175.404 175.800 -0.100 0.000 1.109 10 F CA 1.111 59.047 58.000 -0.107 0.000 1.212 10 F CB -1.402 37.564 39.000 -0.055 0.000 0.973 10 F HN 0.356 nan 8.300 nan 0.000 0.480 11 P HA -0.191 nan 4.420 nan 0.000 0.216 11 P C 1.173 178.458 177.300 -0.024 0.000 1.150 11 P CA 1.715 64.814 63.100 -0.002 0.000 0.843 11 P CB 0.027 31.721 31.700 -0.009 0.000 0.787 12 K N -0.706 119.679 120.400 -0.025 0.000 1.991 12 K HA 0.006 4.324 4.320 -0.003 0.000 0.207 12 K C 2.045 178.648 176.600 0.005 0.000 1.045 12 K CA 1.055 57.334 56.287 -0.013 0.000 0.937 12 K CB -1.358 31.128 32.500 -0.023 0.000 0.720 12 K HN 0.045 nan 8.250 nan 0.000 0.438 13 L N 1.236 122.471 121.223 0.020 0.000 1.991 13 L HA -0.337 4.001 4.340 -0.003 0.000 0.221 13 L C 2.219 179.125 176.870 0.061 0.000 1.079 13 L CA 1.780 56.665 54.840 0.075 0.000 0.778 13 L CB -0.724 41.422 42.059 0.145 0.000 0.893 13 L HN 0.344 nan 8.230 nan 0.000 0.437 14 E N -0.007 120.191 120.200 -0.003 0.000 2.070 14 E HA -0.292 4.057 4.350 -0.003 0.000 0.197 14 E C 2.095 178.651 176.600 -0.073 0.000 1.004 14 E CA 1.685 57.980 56.400 -0.175 0.000 0.805 14 E CB -0.221 29.038 29.700 -0.734 0.000 0.744 14 E HN 0.550 nan 8.360 nan 0.000 0.451 15 E N 0.722 120.893 120.200 -0.048 0.000 2.085 15 E HA -0.210 4.138 4.350 -0.003 0.000 0.194 15 E C 2.048 178.681 176.600 0.054 0.000 0.994 15 E CA 1.112 57.528 56.400 0.026 0.000 0.801 15 E CB 0.029 29.749 29.700 0.034 0.000 0.743 15 E HN 0.279 nan 8.360 nan 0.000 0.453 16 E N -0.112 120.116 120.200 0.047 0.000 2.031 16 E HA -0.190 4.158 4.350 -0.003 0.000 0.193 16 E C 2.181 178.811 176.600 0.049 0.000 0.994 16 E CA 1.420 57.858 56.400 0.063 0.000 0.800 16 E CB 0.037 29.776 29.700 0.066 0.000 0.752 16 E HN 0.085 nan 8.360 nan 0.000 0.447 17 V N 1.396 121.299 119.914 -0.019 0.000 2.332 17 V HA -0.256 3.862 4.120 -0.003 0.000 0.248 17 V C 2.334 178.190 176.094 -0.397 0.000 1.055 17 V CA 1.347 63.511 62.300 -0.227 0.000 1.038 17 V CB -0.469 31.180 31.823 -0.289 0.000 0.651 17 V HN 0.244 nan 8.190 nan 0.000 0.450 18 L N 0.865 121.995 121.223 -0.155 0.000 2.043 18 L HA -0.166 4.172 4.340 -0.003 0.000 0.212 18 L C 2.472 179.422 176.870 0.133 0.000 1.075 18 L CA 2.408 57.270 54.840 0.037 0.000 0.752 18 L CB -1.046 41.157 42.059 0.240 0.000 0.891 18 L HN 0.257 nan 8.230 nan 0.000 0.432 19 A N -1.084 121.809 122.820 0.122 0.000 1.877 19 A HA -0.274 4.044 4.320 -0.003 0.000 0.216 19 A C 2.290 179.980 177.584 0.177 0.000 1.186 19 A CA 1.701 53.825 52.037 0.145 0.000 0.620 19 A CB -1.220 17.856 19.000 0.127 0.000 0.822 19 A HN 0.553 nan 8.150 nan 0.000 0.443 20 F N -0.543 119.425 119.950 0.029 0.000 2.202 20 F HA -0.212 4.313 4.527 -0.003 0.000 0.301 20 F C 1.865 177.794 175.800 0.215 0.000 1.082 20 F CA 1.557 59.608 58.000 0.085 0.000 1.313 20 F CB -0.200 38.828 39.000 0.047 0.000 1.024 20 F HN 0.373 nan 8.300 nan 0.000 0.495 21 W N 1.203 122.642 121.300 0.232 0.000 2.441 21 W HA -0.016 4.642 4.660 -0.003 0.000 0.302 21 W C 2.572 179.044 176.519 -0.078 0.000 1.191 21 W CA 1.021 58.398 57.345 0.054 0.000 1.327 21 W CB -1.379 28.193 29.460 0.186 0.000 1.128 21 W HN 0.025 nan 8.180 nan 0.000 0.522 22 K N 0.998 121.534 120.400 0.227 0.000 2.103 22 K HA -0.235 4.083 4.320 -0.003 0.000 0.207 22 K C 2.179 178.800 176.600 0.035 0.000 1.048 22 K CA 1.716 58.071 56.287 0.112 0.000 0.930 22 K CB -0.149 32.426 32.500 0.124 0.000 0.716 22 K HN 0.012 nan 8.250 nan 0.000 0.444 23 R N 0.982 121.487 120.500 0.009 0.000 2.092 23 R HA -0.100 4.238 4.340 -0.003 0.000 0.226 23 R C 1.451 177.696 176.300 -0.090 0.000 1.140 23 R CA 1.840 57.918 56.100 -0.037 0.000 0.910 23 R CB -0.180 30.097 30.300 -0.038 0.000 0.822 23 R HN 0.157 nan 8.270 nan 0.000 0.433 24 E N 0.970 121.048 120.200 -0.203 0.000 2.438 24 E HA -0.043 4.305 4.350 -0.003 0.000 0.192 24 E C -0.746 175.772 176.600 -0.136 0.000 1.110 24 E CA 0.122 56.413 56.400 -0.182 0.000 0.893 24 E CB 0.087 29.636 29.700 -0.251 0.000 0.990 24 E HN 0.299 nan 8.360 nan 0.000 0.490 25 K N -0.447 119.887 120.400 -0.110 0.000 3.278 25 K HA -0.222 4.096 4.320 -0.003 0.000 0.270 25 K C 0.501 177.007 176.600 -0.158 0.000 0.955 25 K CA 0.144 56.363 56.287 -0.113 0.000 0.723 25 K CB -1.596 30.845 32.500 -0.098 0.000 1.382 25 K HN 0.106 nan 8.250 nan 0.000 0.461 26 I N 0.521 120.992 120.570 -0.165 0.000 2.208 26 I HA -0.236 3.932 4.170 -0.003 0.000 0.245 26 I C 2.190 178.071 176.117 -0.394 0.000 1.097 26 I CA 1.261 62.448 61.300 -0.188 0.000 1.363 26 I CB -0.604 37.359 38.000 -0.061 0.000 1.051 26 I HN 0.501 nan 8.210 nan 0.000 0.413 27 F N 1.294 120.665 119.950 -0.965 0.000 2.126 27 F HA -0.253 4.273 4.527 -0.003 0.000 0.299 27 F C 2.577 178.100 175.800 -0.461 0.000 1.096 27 F CA 2.005 59.316 58.000 -1.149 0.000 1.255 27 F CB -0.823 37.322 39.000 -1.424 0.000 0.997 27 F HN 0.181 nan 8.300 nan 0.000 0.479 28 Q N -0.132 119.328 119.800 -0.565 0.000 2.167 28 Q HA -0.202 4.136 4.340 -0.003 0.000 0.202 28 Q C 2.025 177.853 176.000 -0.287 0.000 0.970 28 Q CA 1.269 56.773 55.803 -0.497 0.000 0.855 28 Q CB 0.046 28.602 28.738 -0.304 0.000 0.911 28 Q HN 0.246 nan 8.270 nan 0.000 0.438 29 K N 0.461 120.744 120.400 -0.195 0.000 1.965 29 K HA -0.132 4.186 4.320 -0.003 0.000 0.214 29 K C 2.090 178.653 176.600 -0.062 0.000 1.046 29 K CA 1.739 57.971 56.287 -0.092 0.000 0.944 29 K CB -0.752 31.723 32.500 -0.042 0.000 0.726 29 K HN 0.313 nan 8.250 nan 0.000 0.441 30 S N 0.114 115.793 115.700 -0.035 0.000 2.414 30 S HA -0.240 4.228 4.470 -0.003 0.000 0.241 30 S C 2.046 176.667 174.600 0.034 0.000 1.079 30 S CA 2.117 60.343 58.200 0.044 0.000 1.087 30 S CB -1.094 62.203 63.200 0.162 0.000 0.927 30 S HN 0.043 nan 8.310 nan 0.000 0.456 31 V N 1.923 121.806 119.914 -0.051 0.000 2.379 31 V HA 0.012 4.131 4.120 -0.003 0.000 0.243 31 V C 2.725 178.902 176.094 0.138 0.000 1.035 31 V CA 1.657 63.964 62.300 0.011 0.000 1.035 31 V CB -0.858 30.860 31.823 -0.177 0.000 0.673 31 V HN 0.598 nan 8.190 nan 0.000 0.457 32 E N 0.626 120.844 120.200 0.031 0.000 2.265 32 E HA -0.249 4.099 4.350 -0.003 0.000 0.196 32 E C 1.781 178.391 176.600 0.016 0.000 0.996 32 E CA 1.249 57.668 56.400 0.032 0.000 0.832 32 E CB -0.026 29.659 29.700 -0.026 0.000 0.756 32 E HN 0.591 nan 8.360 nan 0.000 0.491 33 N N 0.041 118.756 118.700 0.025 0.000 2.396 33 N HA -0.040 4.698 4.740 -0.003 0.000 0.180 33 N C 0.703 176.224 175.510 0.018 0.000 1.028 33 N CA 0.645 53.706 53.050 0.018 0.000 0.893 33 N CB 0.272 38.775 38.487 0.028 0.000 0.967 33 N HN 0.027 nan 8.380 nan 0.000 0.440 34 R N 0.354 120.889 120.500 0.059 0.000 2.507 34 R HA 0.180 4.518 4.340 -0.003 0.000 0.298 34 R C 0.044 176.330 176.300 -0.023 0.000 0.999 34 R CA -0.331 55.801 56.100 0.054 0.000 1.082 34 R CB -0.089 30.288 30.300 0.128 0.000 1.246 34 R HN 0.019 nan 8.270 nan 0.000 0.553 35 K N 0.506 120.813 120.400 -0.155 0.000 2.440 35 K HA 0.144 4.462 4.320 -0.003 0.000 0.270 35 K C 1.189 177.625 176.600 -0.274 0.000 0.980 35 K CA 1.421 57.441 56.287 -0.444 0.000 0.953 35 K CB 0.064 32.354 32.500 -0.350 0.000 0.925 35 K HN 0.329 nan 8.250 nan 0.000 0.497 36 G N 1.103 109.723 108.800 -0.299 0.000 2.212 36 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.266 36 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.266 36 G C 0.534 175.366 174.900 -0.113 0.000 0.978 36 G CA 0.507 45.509 45.100 -0.163 0.000 0.632 36 G HN 0.939 nan 8.290 nan 0.000 0.537 37 G N 0.223 108.959 108.800 -0.106 0.000 2.537 37 G HA2 0.684 4.643 3.960 -0.003 0.000 0.297 37 G HA3 0.684 4.643 3.960 -0.003 0.000 0.297 37 G C -1.952 172.928 174.900 -0.033 0.000 1.310 37 G CA -0.464 44.587 45.100 -0.081 0.000 1.027 37 G HN 0.287 nan 8.290 nan 0.000 0.505 38 P HA 0.175 nan 4.420 nan 0.000 0.271 38 P C -0.188 177.268 177.300 0.260 0.000 1.233 38 P CA -0.380 62.724 63.100 0.007 0.000 0.764 38 P CB 1.009 32.590 31.700 -0.199 0.000 0.825 39 R N 3.521 124.189 120.500 0.281 0.000 2.679 39 R HA 0.086 4.424 4.340 -0.003 0.000 0.268 39 R C -1.169 175.364 176.300 0.390 0.000 1.044 39 R CA 0.297 56.594 56.100 0.328 0.000 1.105 39 R CB -0.191 30.242 30.300 0.222 0.000 0.989 39 R HN 0.500 nan 8.270 nan 0.000 0.447 40 Y N 3.246 123.631 120.300 0.142 0.000 2.541 40 Y HA 0.219 4.767 4.550 -0.003 0.000 0.350 40 Y C -1.039 174.858 175.900 -0.004 0.000 1.075 40 Y CA -0.493 57.619 58.100 0.019 0.000 1.302 40 Y CB 1.087 39.512 38.460 -0.058 0.000 1.094 40 Y HN 0.752 nan 8.280 nan 0.000 0.579 41 T N 4.183 118.536 114.554 -0.335 0.000 2.806 41 T HA 0.684 5.032 4.350 -0.003 0.000 0.290 41 T C -1.001 173.445 174.700 -0.423 0.000 0.966 41 T CA -0.213 61.724 62.100 -0.270 0.000 1.060 41 T CB 0.331 69.127 68.868 -0.119 0.000 0.927 41 T HN 0.308 nan 8.240 nan 0.000 0.485 42 V N 5.865 125.678 119.914 -0.168 0.000 2.628 42 V HA 0.542 4.660 4.120 -0.003 0.000 0.306 42 V C -1.091 175.159 176.094 0.259 0.000 1.045 42 V CA -0.890 61.394 62.300 -0.027 0.000 0.905 42 V CB 1.689 33.604 31.823 0.153 0.000 0.997 42 V HN 0.822 nan 8.190 nan 0.000 0.436 43 Y N 1.902 122.288 120.300 0.144 0.000 2.446 43 Y HA 0.667 5.215 4.550 -0.003 0.000 0.338 43 Y C 0.151 176.259 175.900 0.346 0.000 1.055 43 Y CA -1.949 56.307 58.100 0.260 0.000 1.101 43 Y CB 1.754 40.394 38.460 0.299 0.000 1.221 43 Y HN 0.752 nan 8.280 nan 0.000 0.460 44 E N 0.491 120.978 120.200 0.478 0.000 2.222 44 E HA 0.612 4.960 4.350 -0.003 0.000 0.267 44 E C -0.363 176.098 176.600 -0.232 0.000 0.884 44 E CA -0.894 55.618 56.400 0.187 0.000 0.764 44 E CB 1.413 31.189 29.700 0.126 0.000 1.169 44 E HN 0.822 nan 8.360 nan 0.000 0.413 45 G N 5.198 113.558 108.800 -0.733 0.000 2.367 45 G HA2 0.194 4.152 3.960 -0.003 0.000 0.280 45 G HA3 0.194 4.152 3.960 -0.003 0.000 0.280 45 G C -2.079 172.393 174.900 -0.714 0.000 1.175 45 G CA -1.111 43.131 45.100 -1.430 0.000 1.001 45 G HN 0.505 nan 8.290 nan 0.000 0.437 46 P HA 0.092 nan 4.420 nan 0.000 0.260 46 P C -2.338 174.741 177.300 -0.368 0.000 1.207 46 P CA -0.766 62.079 63.100 -0.424 0.000 0.780 46 P CB 1.158 32.706 31.700 -0.253 0.000 0.789 47 P HA 0.242 nan 4.420 nan 0.000 0.282 47 P C -0.644 176.578 177.300 -0.131 0.000 1.287 47 P CA -0.173 62.754 63.100 -0.289 0.000 0.792 47 P CB 0.939 32.329 31.700 -0.516 0.000 1.163 48 T N -0.211 114.323 114.554 -0.034 0.000 2.841 48 T HA 0.458 4.807 4.350 -0.003 0.000 0.285 48 T C 0.445 175.168 174.700 0.039 0.000 0.991 48 T CA -0.343 61.769 62.100 0.021 0.000 0.966 48 T CB 1.316 70.179 68.868 -0.008 0.000 0.962 48 T HN 0.384 nan 8.240 nan 0.000 0.438 49 A N 2.700 125.452 122.820 -0.114 0.000 2.648 49 A HA 0.159 4.477 4.320 -0.003 0.000 0.269 49 A C 1.377 179.071 177.584 0.184 0.000 1.392 49 A CA -0.274 51.793 52.037 0.050 0.000 1.019 49 A CB -1.119 17.664 19.000 -0.361 0.000 1.009 49 A HN 0.942 nan 8.150 nan 0.000 0.565 50 N N -1.375 117.376 118.700 0.085 0.000 2.280 50 N HA 0.246 4.984 4.740 -0.003 0.000 0.192 50 N C 0.702 176.154 175.510 -0.097 0.000 1.109 50 N CA 0.417 53.507 53.050 0.066 0.000 0.855 50 N CB 0.444 38.917 38.487 -0.023 0.000 0.974 50 N HN 0.276 nan 8.380 nan 0.000 0.482 51 G N 0.332 109.052 108.800 -0.134 0.000 2.798 51 G HA2 0.621 4.579 3.960 -0.003 0.000 0.286 51 G HA3 0.621 4.579 3.960 -0.003 0.000 0.286 51 G C -1.401 173.324 174.900 -0.291 0.000 1.389 51 G CA -0.821 44.089 45.100 -0.317 0.000 0.894 51 G HN 0.046 nan 8.290 nan 0.000 0.488 52 L N 0.577 121.600 121.223 -0.334 0.000 2.334 52 L HA 0.441 4.780 4.340 -0.003 0.000 0.272 52 L C -1.988 174.706 176.870 -0.292 0.000 1.020 52 L CA -1.766 52.869 54.840 -0.342 0.000 0.812 52 L CB 2.285 44.170 42.059 -0.289 0.000 1.264 52 L HN 0.278 nan 8.230 nan 0.000 0.439 53 P HA 0.111 nan 4.420 nan 0.000 0.270 53 P C -1.426 175.662 177.300 -0.354 0.000 1.227 53 P CA 0.129 62.797 63.100 -0.721 0.000 0.788 53 P CB 0.366 30.997 31.700 -1.782 0.000 0.926 54 H N -2.481 116.311 119.070 -0.465 0.000 3.068 54 H HA 0.298 4.852 4.556 -0.003 0.000 0.342 54 H C -0.753 174.433 175.328 -0.236 0.000 1.284 54 H CA -1.178 54.668 56.048 -0.338 0.000 1.181 54 H CB -0.006 29.570 29.762 -0.310 0.000 1.898 54 H HN 0.233 nan 8.280 nan 0.000 0.540 55 V N -0.321 119.497 119.914 -0.160 0.000 2.843 55 V HA 0.353 4.471 4.120 -0.003 0.000 0.305 55 V C 1.340 177.240 176.094 -0.325 0.000 1.120 55 V CA 1.409 63.558 62.300 -0.252 0.000 1.254 55 V CB -0.012 31.634 31.823 -0.297 0.000 0.901 55 V HN 1.601 nan 8.190 nan 0.000 0.503 56 G N 1.979 110.604 108.800 -0.292 0.000 2.308 56 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.221 56 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.221 56 G C 0.753 175.566 174.900 -0.146 0.000 1.032 56 G CA 0.732 45.732 45.100 -0.166 0.000 0.623 56 G HN 0.984 nan 8.290 nan 0.000 0.506 57 H N 0.405 119.213 119.070 -0.437 0.000 2.431 57 H HA 0.372 4.926 4.556 -0.003 0.000 0.295 57 H C 2.963 178.242 175.328 -0.082 0.000 1.038 57 H CA 1.014 56.913 56.048 -0.249 0.000 1.360 57 H CB 0.238 29.810 29.762 -0.316 0.000 1.433 57 H HN 0.536 nan 8.280 nan 0.000 0.536 58 A N 0.697 123.562 122.820 0.074 0.000 1.897 58 A HA -0.176 4.142 4.320 -0.003 0.000 0.215 58 A C 2.170 179.613 177.584 -0.235 0.000 1.181 58 A CA 1.249 53.291 52.037 0.007 0.000 0.620 58 A CB -0.438 18.566 19.000 0.006 0.000 0.821 58 A HN 0.425 nan 8.150 nan 0.000 0.443 59 Q N -0.310 119.314 119.800 -0.293 0.000 2.030 59 Q HA -0.185 4.153 4.340 -0.003 0.000 0.204 59 Q C 2.267 177.923 176.000 -0.574 0.000 0.986 59 Q CA 1.809 57.339 55.803 -0.456 0.000 0.843 59 Q CB -0.365 28.199 28.738 -0.291 0.000 0.904 59 Q HN 0.583 nan 8.270 nan 0.000 0.420 60 A N 0.881 123.444 122.820 -0.428 0.000 1.873 60 A HA -0.252 4.066 4.320 -0.003 0.000 0.218 60 A C 2.086 179.545 177.584 -0.209 0.000 1.193 60 A CA 1.893 53.718 52.037 -0.353 0.000 0.629 60 A CB -0.618 18.290 19.000 -0.154 0.000 0.826 60 A HN 0.324 nan 8.150 nan 0.000 0.447 61 R N 0.184 120.511 120.500 -0.289 0.000 2.105 61 R HA -0.071 4.267 4.340 -0.003 0.000 0.239 61 R C 2.495 178.655 176.300 -0.232 0.000 1.135 61 R CA 1.675 57.514 56.100 -0.436 0.000 0.967 61 R CB -0.630 29.293 30.300 -0.627 0.000 0.861 61 R HN 0.549 nan 8.270 nan 0.000 0.442 62 S N -0.680 114.864 115.700 -0.259 0.000 2.399 62 S HA -0.132 4.336 4.470 -0.003 0.000 0.231 62 S C 1.626 176.302 174.600 0.127 0.000 1.022 62 S CA 1.165 59.270 58.200 -0.160 0.000 0.983 62 S CB -0.276 62.643 63.200 -0.469 0.000 0.803 62 S HN 0.409 nan 8.310 nan 0.000 0.480 63 Y N 1.060 121.477 120.300 0.194 0.000 2.206 63 Y HA 0.062 4.610 4.550 -0.003 0.000 0.292 63 Y C 2.605 178.771 175.900 0.444 0.000 1.123 63 Y CA 0.492 58.812 58.100 0.367 0.000 1.142 63 Y CB -0.048 38.591 38.460 0.297 0.000 1.006 63 Y HN 0.027 nan 8.280 nan 0.000 0.518 64 K N 1.026 121.728 120.400 0.504 0.000 2.360 64 K HA -0.197 4.121 4.320 -0.003 0.000 0.201 64 K C 0.688 177.567 176.600 0.465 0.000 1.046 64 K CA 1.589 58.203 56.287 0.544 0.000 0.945 64 K CB -0.218 32.494 32.500 0.354 0.000 0.750 64 K HN 0.396 nan 8.250 nan 0.000 0.464 65 D N -0.516 120.094 120.400 0.350 0.000 2.414 65 D HA -0.102 4.537 4.640 -0.003 0.000 0.237 65 D C 1.870 178.191 176.300 0.035 0.000 0.975 65 D CA 0.313 54.445 54.000 0.219 0.000 0.917 65 D CB 0.010 40.931 40.800 0.202 0.000 1.061 65 D HN 0.039 nan 8.370 nan 0.000 0.480 66 L N -0.012 121.207 121.223 -0.007 0.000 2.103 66 L HA -0.183 4.155 4.340 -0.003 0.000 0.215 66 L C 1.541 178.081 176.870 -0.551 0.000 1.080 66 L CA 1.804 56.441 54.840 -0.338 0.000 0.764 66 L CB -0.787 40.988 42.059 -0.473 0.000 0.890 66 L HN 0.124 nan 8.230 nan 0.000 0.435 67 F N -0.571 119.216 119.950 -0.271 0.000 2.179 67 F HA 0.078 4.603 4.527 -0.003 0.000 0.292 67 F C -0.221 175.449 175.800 -0.216 0.000 1.089 67 F CA 0.978 58.771 58.000 -0.345 0.000 1.295 67 F CB -2.011 36.658 39.000 -0.552 0.000 1.041 67 F HN 0.133 nan 8.300 nan 0.000 0.487 68 P HA -0.134 nan 4.420 nan 0.000 0.218 68 P C 1.343 178.613 177.300 -0.050 0.000 1.148 68 P CA 1.594 64.763 63.100 0.114 0.000 0.822 68 P CB -0.035 31.787 31.700 0.203 0.000 0.784 69 R N -1.368 119.059 120.500 -0.121 0.000 2.082 69 R HA -0.183 4.155 4.340 -0.003 0.000 0.228 69 R C 2.452 178.628 176.300 -0.207 0.000 1.140 69 R CA 1.763 57.767 56.100 -0.162 0.000 0.920 69 R CB -1.555 28.595 30.300 -0.251 0.000 0.828 69 R HN 0.186 nan 8.270 nan 0.000 0.430 70 Y N 2.189 122.216 120.300 -0.454 0.000 2.132 70 Y HA -0.362 4.186 4.550 -0.003 0.000 0.280 70 Y C 2.123 177.695 175.900 -0.547 0.000 1.193 70 Y CA 1.963 59.675 58.100 -0.646 0.000 1.157 70 Y CB -0.166 37.736 38.460 -0.931 0.000 0.966 70 Y HN -0.124 nan 8.280 nan 0.000 0.511 71 K N -0.081 119.919 120.400 -0.665 0.000 2.097 71 K HA -0.101 4.218 4.320 -0.003 0.000 0.205 71 K C 2.334 178.745 176.600 -0.316 0.000 1.050 71 K CA 1.874 57.702 56.287 -0.766 0.000 0.938 71 K CB -0.825 30.971 32.500 -1.174 0.000 0.718 71 K HN 0.659 nan 8.250 nan 0.000 0.442 72 T N -1.872 112.577 114.554 -0.175 0.000 2.942 72 T HA -0.045 4.303 4.350 -0.003 0.000 0.265 72 T C 1.805 176.474 174.700 -0.051 0.000 1.062 72 T CA 0.786 62.874 62.100 -0.021 0.000 1.139 72 T CB -0.180 68.717 68.868 0.049 0.000 0.883 72 T HN 0.060 nan 8.240 nan 0.000 0.468 73 M N 0.626 120.158 119.600 -0.114 0.000 2.629 73 M HA 0.083 4.561 4.480 -0.003 0.000 0.257 73 M C 1.480 177.754 176.300 -0.044 0.000 1.071 73 M CA 1.054 56.331 55.300 -0.038 0.000 1.077 73 M CB -0.177 32.461 32.600 0.064 0.000 1.423 73 M HN 0.181 nan 8.290 nan 0.000 0.508 74 R N -0.280 120.131 120.500 -0.149 0.000 2.652 74 R HA 0.240 4.579 4.340 -0.003 0.000 0.372 74 R C 0.729 176.940 176.300 -0.148 0.000 1.104 74 R CA 0.152 56.177 56.100 -0.125 0.000 1.072 74 R CB 0.514 30.673 30.300 -0.235 0.000 1.367 74 R HN 0.434 nan 8.270 nan 0.000 0.577 75 G N 0.749 109.485 108.800 -0.107 0.000 2.160 75 G HA2 -0.323 3.635 3.960 -0.003 0.000 0.251 75 G HA3 -0.323 3.635 3.960 -0.003 0.000 0.251 75 G C -0.341 174.435 174.900 -0.206 0.000 1.008 75 G CA 0.069 45.078 45.100 -0.150 0.000 0.724 75 G HN 0.324 nan 8.290 nan 0.000 0.514 76 Y N -0.968 119.298 120.300 -0.057 0.000 2.323 76 Y HA 0.511 5.059 4.550 -0.003 0.000 0.331 76 Y C 0.506 176.481 175.900 0.125 0.000 1.092 76 Y CA -1.219 56.890 58.100 0.015 0.000 1.150 76 Y CB 0.920 39.344 38.460 -0.060 0.000 1.200 76 Y HN 0.205 nan 8.280 nan 0.000 0.472 77 Y N 3.273 123.670 120.300 0.163 0.000 2.613 77 Y HA 0.468 5.016 4.550 -0.003 0.000 0.354 77 Y C -0.138 175.870 175.900 0.180 0.000 1.063 77 Y CA -1.539 56.633 58.100 0.120 0.000 1.384 77 Y CB -0.133 38.373 38.460 0.077 0.000 1.199 77 Y HN 0.610 nan 8.280 nan 0.000 0.517 78 A N 8.962 131.792 122.820 0.016 0.000 3.095 78 A HA 0.467 4.785 4.320 -0.003 0.000 0.301 78 A C -2.677 174.838 177.584 -0.115 0.000 1.432 78 A CA -1.636 50.416 52.037 0.025 0.000 1.140 78 A CB -0.618 18.506 19.000 0.207 0.000 1.174 78 A HN 0.552 nan 8.150 nan 0.000 0.546 79 P HA 0.392 nan 4.420 nan 0.000 0.271 79 P C -0.388 176.912 177.300 -0.001 0.000 1.216 79 P CA 0.066 63.026 63.100 -0.232 0.000 0.776 79 P CB 0.669 32.174 31.700 -0.324 0.000 0.881 80 R N 2.044 122.606 120.500 0.104 0.000 2.476 80 R HA 0.543 4.881 4.340 -0.003 0.000 0.305 80 R C -0.165 176.213 176.300 0.130 0.000 0.965 80 R CA -0.527 55.657 56.100 0.140 0.000 0.867 80 R CB 1.981 32.364 30.300 0.138 0.000 1.176 80 R HN 0.359 nan 8.270 nan 0.000 0.447 81 R N 1.407 121.981 120.500 0.124 0.000 2.892 81 R HA 0.868 5.206 4.340 -0.003 0.000 0.265 81 R C -1.116 175.239 176.300 0.093 0.000 1.025 81 R CA -0.746 55.424 56.100 0.118 0.000 0.982 81 R CB 1.870 32.265 30.300 0.158 0.000 1.185 81 R HN 0.698 nan 8.270 nan 0.000 0.484 82 A N 0.343 123.166 122.820 0.004 0.000 2.387 82 A HA 0.905 5.224 4.320 -0.003 0.000 0.298 82 A C -0.849 176.428 177.584 -0.511 0.000 1.165 82 A CA -0.433 51.483 52.037 -0.201 0.000 0.814 82 A CB 1.933 20.751 19.000 -0.303 0.000 1.357 82 A HN 0.805 nan 8.150 nan 0.000 0.443 83 G N -2.147 106.033 108.800 -1.033 0.000 2.576 83 G HA2 0.540 4.498 3.960 -0.003 0.000 0.290 83 G HA3 0.540 4.498 3.960 -0.003 0.000 0.290 83 G C -2.074 172.041 174.900 -1.309 0.000 1.442 83 G CA -0.580 43.495 45.100 -1.709 0.000 0.792 83 G HN 0.792 nan 8.290 nan 0.000 0.491 84 W N -0.391 120.503 121.300 -0.676 0.000 2.864 84 W HA 0.582 5.240 4.660 -0.003 0.000 0.343 84 W C -0.975 175.329 176.519 -0.360 0.000 1.109 84 W CA -0.747 56.338 57.345 -0.433 0.000 1.192 84 W CB 2.066 31.346 29.460 -0.301 0.000 1.426 84 W HN 0.320 nan 8.180 nan 0.000 0.529 85 D N 1.180 121.544 120.400 -0.060 0.000 2.428 85 D HA 0.148 4.786 4.640 -0.003 0.000 0.221 85 D C 0.972 177.206 176.300 -0.111 0.000 1.123 85 D CA 0.182 54.115 54.000 -0.112 0.000 0.869 85 D CB 1.041 41.765 40.800 -0.125 0.000 1.032 85 D HN 0.506 nan 8.370 nan 0.000 0.506 86 T N -0.570 113.866 114.554 -0.195 0.000 3.040 86 T HA 0.142 4.490 4.350 -0.003 0.000 0.250 86 T C 0.681 175.331 174.700 -0.083 0.000 1.058 86 T CA 0.302 62.284 62.100 -0.197 0.000 0.988 86 T CB 0.114 68.785 68.868 -0.328 0.000 0.993 86 T HN 0.315 nan 8.240 nan 0.000 0.519 87 H N 0.140 119.114 119.070 -0.160 0.000 2.630 87 H HA 0.629 5.183 4.556 -0.003 0.000 0.343 87 H C 0.908 176.175 175.328 -0.102 0.000 1.232 87 H CA -0.328 55.498 56.048 -0.370 0.000 1.294 87 H CB 1.390 30.895 29.762 -0.429 0.000 1.746 87 H HN 0.510 nan 8.280 nan 0.000 0.593 88 G N -0.496 108.353 108.800 0.082 0.000 2.795 88 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.664 88 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.664 88 G C 0.670 175.660 174.900 0.150 0.000 1.381 88 G CA -0.178 44.991 45.100 0.115 0.000 0.853 88 G HN 0.581 nan 8.290 nan 0.000 0.545 89 L N 0.466 121.744 121.223 0.092 0.000 2.051 89 L HA -0.143 4.195 4.340 -0.003 0.000 0.214 89 L C 0.313 177.148 176.870 -0.059 0.000 1.076 89 L CA 2.537 57.394 54.840 0.027 0.000 0.758 89 L CB -1.467 40.565 42.059 -0.045 0.000 0.890 89 L HN 0.467 nan 8.230 nan 0.000 0.433 90 P HA -0.146 nan 4.420 nan 0.000 0.217 90 P C 1.845 179.108 177.300 -0.060 0.000 1.148 90 P CA 1.174 64.178 63.100 -0.160 0.000 0.828 90 P CB 0.109 31.721 31.700 -0.146 0.000 0.783 91 V N -0.575 119.354 119.914 0.025 0.000 2.331 91 V HA -0.144 3.974 4.120 -0.003 0.000 0.242 91 V C 2.297 178.410 176.094 0.032 0.000 1.034 91 V CA 1.491 63.821 62.300 0.050 0.000 1.027 91 V CB -1.076 30.871 31.823 0.207 0.000 0.667 91 V HN 0.060 nan 8.190 nan 0.000 0.457 92 E N -0.101 120.184 120.200 0.142 0.000 2.147 92 E HA -0.290 4.058 4.350 -0.003 0.000 0.199 92 E C 2.020 178.734 176.600 0.190 0.000 1.005 92 E CA 1.498 58.041 56.400 0.239 0.000 0.810 92 E CB -0.171 29.765 29.700 0.393 0.000 0.736 92 E HN 0.326 nan 8.360 nan 0.000 0.460 93 L N 0.770 122.032 121.223 0.065 0.000 2.291 93 L HA -0.127 4.211 4.340 -0.003 0.000 0.214 93 L C 2.062 178.922 176.870 -0.016 0.000 1.120 93 L CA 1.176 56.022 54.840 0.010 0.000 0.799 93 L CB -0.053 41.971 42.059 -0.058 0.000 0.925 93 L HN 0.014 nan 8.230 nan 0.000 0.446 94 E N -0.809 119.371 120.200 -0.034 0.000 2.076 94 E HA -0.061 4.287 4.350 -0.003 0.000 0.190 94 E C 2.394 178.955 176.600 -0.065 0.000 0.979 94 E CA 0.928 57.295 56.400 -0.055 0.000 0.807 94 E CB -0.414 29.247 29.700 -0.065 0.000 0.761 94 E HN 0.231 nan 8.360 nan 0.000 0.454 95 V N 1.461 121.318 119.914 -0.095 0.000 2.515 95 V HA -0.201 3.917 4.120 -0.003 0.000 0.250 95 V C 2.324 178.401 176.094 -0.028 0.000 1.058 95 V CA 1.598 63.807 62.300 -0.151 0.000 1.064 95 V CB -0.349 31.235 31.823 -0.399 0.000 0.675 95 V HN 0.238 nan 8.190 nan 0.000 0.461 96 E N 0.077 120.326 120.200 0.083 0.000 2.077 96 E HA -0.198 4.150 4.350 -0.003 0.000 0.193 96 E C 2.154 178.735 176.600 -0.031 0.000 0.989 96 E CA 1.012 57.455 56.400 0.072 0.000 0.800 96 E CB 0.010 29.743 29.700 0.054 0.000 0.746 96 E HN 0.501 nan 8.360 nan 0.000 0.452 97 K N 0.088 120.466 120.400 -0.038 0.000 2.439 97 K HA -0.063 4.255 4.320 -0.003 0.000 0.197 97 K C 1.718 178.284 176.600 -0.056 0.000 1.041 97 K CA 0.531 56.788 56.287 -0.050 0.000 0.970 97 K CB 0.200 32.672 32.500 -0.047 0.000 0.773 97 K HN 0.041 nan 8.250 nan 0.000 0.479 98 K N 0.618 120.979 120.400 -0.066 0.000 2.063 98 K HA 0.104 4.422 4.320 -0.003 0.000 0.204 98 K C 1.684 178.236 176.600 -0.080 0.000 1.039 98 K CA 0.516 56.762 56.287 -0.068 0.000 0.957 98 K CB 0.117 32.571 32.500 -0.078 0.000 0.764 98 K HN 0.002 nan 8.250 nan 0.000 0.447 99 L N 0.933 122.082 121.223 -0.124 0.000 2.675 99 L HA 0.086 4.425 4.340 -0.003 0.000 0.238 99 L C 0.795 177.584 176.870 -0.136 0.000 1.155 99 L CA 0.406 55.142 54.840 -0.173 0.000 0.881 99 L CB -0.893 40.916 42.059 -0.418 0.000 1.008 99 L HN 0.479 nan 8.230 nan 0.000 0.443 100 G N 0.763 109.504 108.800 -0.097 0.000 2.249 100 G HA2 -0.273 3.686 3.960 -0.003 0.000 0.273 100 G HA3 -0.273 3.686 3.960 -0.003 0.000 0.273 100 G C -0.110 174.735 174.900 -0.091 0.000 1.036 100 G CA -0.078 44.975 45.100 -0.077 0.000 0.824 100 G HN 0.156 nan 8.290 nan 0.000 0.504 101 L N -1.199 119.951 121.223 -0.122 0.000 2.375 101 L HA 0.640 4.978 4.340 -0.003 0.000 0.271 101 L C 1.199 178.002 176.870 -0.111 0.000 1.107 101 L CA 0.215 54.973 54.840 -0.136 0.000 0.806 101 L CB 1.596 43.527 42.059 -0.212 0.000 1.146 101 L HN 0.209 nan 8.230 nan 0.000 0.447 102 K N -0.303 120.034 120.400 -0.105 0.000 2.481 102 K HA 0.250 4.568 4.320 -0.003 0.000 0.210 102 K C -0.356 176.190 176.600 -0.090 0.000 1.161 102 K CA 0.039 56.271 56.287 -0.092 0.000 1.023 102 K CB 0.850 33.301 32.500 -0.083 0.000 0.971 102 K HN 0.648 nan 8.250 nan 0.000 0.577 103 S N -0.867 114.774 115.700 -0.099 0.000 2.570 103 S HA 0.349 4.817 4.470 -0.003 0.000 0.270 103 S C 0.150 174.691 174.600 -0.099 0.000 1.149 103 S CA -0.992 57.161 58.200 -0.079 0.000 0.837 103 S CB 1.928 65.095 63.200 -0.055 0.000 1.124 103 S HN -0.011 nan 8.310 nan 0.000 0.465 104 K N 0.834 121.202 120.400 -0.054 0.000 2.160 104 K HA -0.197 4.121 4.320 -0.003 0.000 0.206 104 K C 2.160 178.721 176.600 -0.065 0.000 1.047 104 K CA 2.006 58.276 56.287 -0.029 0.000 0.930 104 K CB -0.326 32.226 32.500 0.086 0.000 0.720 104 K HN 0.755 nan 8.250 nan 0.000 0.450 105 R N 0.964 121.440 120.500 -0.041 0.000 2.148 105 R HA -0.070 4.268 4.340 -0.003 0.000 0.227 105 R C 1.696 177.951 176.300 -0.075 0.000 1.103 105 R CA 1.286 57.363 56.100 -0.039 0.000 0.983 105 R CB -0.315 29.976 30.300 -0.015 0.000 0.874 105 R HN 0.244 nan 8.270 nan 0.000 0.451 106 E N 0.968 121.109 120.200 -0.098 0.000 2.028 106 E HA -0.122 4.226 4.350 -0.003 0.000 0.190 106 E C 1.915 178.425 176.600 -0.150 0.000 0.984 106 E CA 1.139 57.479 56.400 -0.099 0.000 0.800 106 E CB -0.146 29.491 29.700 -0.104 0.000 0.758 106 E HN 0.168 nan 8.360 nan 0.000 0.448 107 I N 2.086 122.479 120.570 -0.296 0.000 2.145 107 I HA -0.332 3.836 4.170 -0.003 0.000 0.244 107 I C 2.218 178.112 176.117 -0.372 0.000 1.075 107 I CA 1.606 62.598 61.300 -0.513 0.000 1.332 107 I CB -0.374 37.031 38.000 -0.991 0.000 1.033 107 I HN 0.107 nan 8.210 nan 0.000 0.410 108 E N 0.285 120.292 120.200 -0.321 0.000 2.110 108 E HA -0.246 4.102 4.350 -0.003 0.000 0.193 108 E C 2.332 178.878 176.600 -0.089 0.000 0.988 108 E CA 1.342 57.626 56.400 -0.193 0.000 0.804 108 E CB -0.346 29.297 29.700 -0.095 0.000 0.745 108 E HN 0.585 nan 8.360 nan 0.000 0.458 109 A N 1.323 124.107 122.820 -0.061 0.000 1.845 109 A HA -0.232 4.086 4.320 -0.003 0.000 0.215 109 A C 2.069 179.657 177.584 0.008 0.000 1.195 109 A CA 1.513 53.537 52.037 -0.021 0.000 0.616 109 A CB -1.091 17.903 19.000 -0.011 0.000 0.832 109 A HN 0.380 nan 8.150 nan 0.000 0.443 110 Y N 0.332 120.568 120.300 -0.107 0.000 2.365 110 Y HA 0.153 4.702 4.550 -0.003 0.000 0.287 110 Y C 1.063 176.921 175.900 -0.070 0.000 1.162 110 Y CA 1.073 59.125 58.100 -0.080 0.000 1.260 110 Y CB -0.368 38.045 38.460 -0.079 0.000 0.976 110 Y HN 0.743 nan 8.280 nan 0.000 0.548 111 G N -0.747 108.072 108.800 0.031 0.000 2.911 111 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.686 111 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.686 111 G C 0.192 175.113 174.900 0.034 0.000 1.136 111 G CA -0.310 44.779 45.100 -0.019 0.000 0.764 111 G HN 0.283 nan 8.290 nan 0.000 0.626 112 I N 0.737 121.298 120.570 -0.014 0.000 2.110 112 I HA -0.103 4.065 4.170 -0.003 0.000 0.236 112 I C 2.602 178.769 176.117 0.084 0.000 1.068 112 I CA 1.692 63.007 61.300 0.024 0.000 1.333 112 I CB -0.305 37.723 38.000 0.046 0.000 1.054 112 I HN 0.885 nan 8.210 nan 0.000 0.402 113 E N 1.146 121.345 120.200 -0.002 0.000 2.136 113 E HA -0.306 4.042 4.350 -0.003 0.000 0.208 113 E C 2.435 179.056 176.600 0.035 0.000 1.035 113 E CA 1.663 58.050 56.400 -0.022 0.000 0.838 113 E CB 0.029 29.695 29.700 -0.056 0.000 0.748 113 E HN 0.258 nan 8.360 nan 0.000 0.459 114 R N -0.436 120.092 120.500 0.048 0.000 2.070 114 R HA -0.164 4.175 4.340 -0.003 0.000 0.233 114 R C 2.385 178.783 176.300 0.164 0.000 1.137 114 R CA 1.475 57.623 56.100 0.079 0.000 0.945 114 R CB -0.913 29.387 30.300 0.000 0.000 0.845 114 R HN 0.299 nan 8.270 nan 0.000 0.430 115 F N 2.800 122.809 119.950 0.097 0.000 2.091 115 F HA -0.264 4.261 4.527 -0.003 0.000 0.299 115 F C 1.955 177.664 175.800 -0.152 0.000 1.103 115 F CA 1.631 59.610 58.000 -0.035 0.000 1.228 115 F CB -0.450 38.476 39.000 -0.124 0.000 0.984 115 F HN 0.003 nan 8.300 nan 0.000 0.477 116 N N 0.476 119.065 118.700 -0.186 0.000 2.120 116 N HA -0.198 4.540 4.740 -0.003 0.000 0.188 116 N C 1.848 176.965 175.510 -0.655 0.000 1.024 116 N CA 1.638 54.432 53.050 -0.427 0.000 0.852 116 N CB -0.660 37.845 38.487 0.031 0.000 1.003 116 N HN 0.535 nan 8.380 nan 0.000 0.424 117 Q N 0.235 119.835 119.800 -0.333 0.000 2.135 117 Q HA -0.048 4.290 4.340 -0.003 0.000 0.204 117 Q C 1.975 177.757 176.000 -0.364 0.000 0.981 117 Q CA 1.603 57.236 55.803 -0.283 0.000 0.856 117 Q CB -0.154 28.512 28.738 -0.121 0.000 0.902 117 Q HN 0.417 nan 8.270 nan 0.000 0.425 118 A N -0.069 122.520 122.820 -0.384 0.000 1.969 118 A HA -0.148 4.171 4.320 -0.003 0.000 0.218 118 A C 2.236 179.494 177.584 -0.543 0.000 1.169 118 A CA 1.032 52.843 52.037 -0.377 0.000 0.635 118 A CB -0.620 18.183 19.000 -0.329 0.000 0.810 118 A HN 0.471 nan 8.150 nan 0.000 0.445 119 C N -1.382 117.405 119.300 -0.854 0.000 2.489 119 C HA 0.006 4.464 4.460 -0.003 0.000 0.279 119 C C 2.707 177.128 174.990 -0.948 0.000 1.266 119 C CA 1.014 59.396 59.018 -1.061 0.000 1.707 119 C CB -1.220 25.446 27.740 -1.789 0.000 2.059 119 C HN 0.715 nan 8.230 nan 0.000 0.481 120 R N 1.043 120.903 120.500 -1.067 0.000 2.103 120 R HA -0.179 4.159 4.340 -0.003 0.000 0.242 120 R C 2.060 178.125 176.300 -0.392 0.000 1.142 120 R CA 1.774 57.500 56.100 -0.623 0.000 0.960 120 R CB -0.205 29.823 30.300 -0.453 0.000 0.858 120 R HN 0.640 nan 8.270 nan 0.000 0.439 121 E N -0.384 119.613 120.200 -0.337 0.000 2.028 121 E HA -0.145 4.203 4.350 -0.003 0.000 0.190 121 E C 1.934 178.413 176.600 -0.202 0.000 0.984 121 E CA 1.480 57.757 56.400 -0.204 0.000 0.800 121 E CB -0.044 29.555 29.700 -0.168 0.000 0.758 121 E HN 0.432 nan 8.360 nan 0.000 0.448 122 S N 1.074 116.628 115.700 -0.243 0.000 2.440 122 S HA -0.177 4.291 4.470 -0.003 0.000 0.240 122 S C 2.250 176.761 174.600 -0.150 0.000 1.014 122 S CA 1.372 59.471 58.200 -0.169 0.000 0.980 122 S CB -0.844 62.237 63.200 -0.198 0.000 0.775 122 S HN 0.252 nan 8.310 nan 0.000 0.499 123 V N -2.237 117.498 119.914 -0.299 0.000 2.488 123 V HA 0.205 4.323 4.120 -0.003 0.000 0.246 123 V C 1.940 177.781 176.094 -0.421 0.000 1.046 123 V CA 1.039 63.092 62.300 -0.412 0.000 1.053 123 V CB -1.268 30.152 31.823 -0.671 0.000 0.679 123 V HN 0.514 nan 8.190 nan 0.000 0.458 124 F N 1.895 121.725 119.950 -0.201 0.000 2.776 124 F HA 0.091 4.616 4.527 -0.003 0.000 0.300 124 F C 2.530 178.249 175.800 -0.136 0.000 1.116 124 F CA 0.525 58.374 58.000 -0.252 0.000 1.375 124 F CB -0.096 38.754 39.000 -0.250 0.000 1.109 124 F HN 0.258 nan 8.300 nan 0.000 0.585 125 T N -2.316 112.283 114.554 0.075 0.000 3.202 125 T HA -0.245 4.103 4.350 -0.003 0.000 0.267 125 T C 0.443 175.032 174.700 -0.184 0.000 1.183 125 T CA 1.417 63.489 62.100 -0.045 0.000 1.055 125 T CB -0.745 68.081 68.868 -0.071 0.000 0.898 125 T HN 0.425 nan 8.240 nan 0.000 0.555 126 Y N -0.914 119.439 120.300 0.087 0.000 2.830 126 Y HA 0.359 4.908 4.550 -0.003 0.000 0.255 126 Y C 1.529 177.604 175.900 0.291 0.000 1.130 126 Y CA -0.814 57.397 58.100 0.184 0.000 1.217 126 Y CB 0.294 38.914 38.460 0.267 0.000 1.296 126 Y HN 0.230 nan 8.280 nan 0.000 0.571 127 E N 1.476 121.809 120.200 0.222 0.000 2.086 127 E HA -0.274 4.074 4.350 -0.003 0.000 0.205 127 E C 1.688 178.463 176.600 0.292 0.000 1.027 127 E CA 2.142 58.629 56.400 0.145 0.000 0.830 127 E CB 0.215 29.893 29.700 -0.036 0.000 0.751 127 E HN 0.036 nan 8.360 nan 0.000 0.456 128 K N 0.228 120.746 120.400 0.197 0.000 2.283 128 K HA -0.079 4.239 4.320 -0.003 0.000 0.202 128 K C 1.855 178.605 176.600 0.250 0.000 1.048 128 K CA 1.332 57.734 56.287 0.192 0.000 0.948 128 K CB 0.006 32.562 32.500 0.093 0.000 0.742 128 K HN 0.316 nan 8.250 nan 0.000 0.458 129 E N -1.223 119.146 120.200 0.280 0.000 2.112 129 E HA -0.144 4.205 4.350 -0.003 0.000 0.190 129 E C 1.922 178.730 176.600 0.348 0.000 0.979 129 E CA 0.772 57.325 56.400 0.256 0.000 0.814 129 E CB -0.497 29.334 29.700 0.219 0.000 0.762 129 E HN 0.339 nan 8.360 nan 0.000 0.460 130 W N 2.438 123.975 121.300 0.395 0.000 2.353 130 W HA -0.097 4.560 4.660 -0.004 0.000 0.319 130 W C 2.424 179.230 176.519 0.479 0.000 1.207 130 W CA 1.473 59.107 57.345 0.482 0.000 1.291 130 W CB -0.325 29.480 29.460 0.576 0.000 1.159 130 W HN 0.089 nan 8.180 nan 0.000 0.478 131 E N 0.015 120.598 120.200 0.637 0.000 2.086 131 E HA -0.334 4.014 4.350 -0.003 0.000 0.205 131 E C 2.223 179.071 176.600 0.414 0.000 1.027 131 E CA 1.679 58.350 56.400 0.452 0.000 0.830 131 E CB -0.812 29.089 29.700 0.336 0.000 0.751 131 E HN 0.275 nan 8.360 nan 0.000 0.456 132 A N 1.004 124.081 122.820 0.427 0.000 1.917 132 A HA -0.231 4.087 4.320 -0.003 0.000 0.219 132 A C 2.020 179.963 177.584 0.598 0.000 1.182 132 A CA 1.676 54.003 52.037 0.483 0.000 0.633 132 A CB -0.817 18.459 19.000 0.461 0.000 0.819 132 A HN 0.395 nan 8.150 nan 0.000 0.448 133 F N 0.613 120.829 119.950 0.443 0.000 2.128 133 F HA -0.096 4.429 4.527 -0.003 0.000 0.295 133 F C 2.485 178.367 175.800 0.137 0.000 1.100 133 F CA 2.143 60.248 58.000 0.175 0.000 1.260 133 F CB -0.559 38.491 39.000 0.082 0.000 1.009 133 F HN 0.175 nan 8.300 nan 0.000 0.476 134 T N 0.226 114.888 114.554 0.180 0.000 2.699 134 T HA -0.293 4.055 4.350 -0.003 0.000 0.268 134 T C 1.835 176.589 174.700 0.090 0.000 1.036 134 T CA 1.955 64.132 62.100 0.129 0.000 1.147 134 T CB -0.434 68.645 68.868 0.351 0.000 0.862 134 T HN 0.529 nan 8.240 nan 0.000 0.446 135 E N 0.171 120.470 120.200 0.166 0.000 2.112 135 E HA -0.127 4.221 4.350 -0.003 0.000 0.190 135 E C 2.418 179.162 176.600 0.240 0.000 0.979 135 E CA 0.633 57.162 56.400 0.215 0.000 0.814 135 E CB 0.005 29.853 29.700 0.247 0.000 0.762 135 E HN 0.094 nan 8.360 nan 0.000 0.460 136 R N 1.568 122.153 120.500 0.141 0.000 2.073 136 R HA -0.035 4.303 4.340 -0.003 0.000 0.234 136 R C 1.089 177.452 176.300 0.105 0.000 1.134 136 R CA 1.407 57.565 56.100 0.097 0.000 0.952 136 R CB -0.779 29.432 30.300 -0.148 0.000 0.850 136 R HN 0.355 nan 8.270 nan 0.000 0.433 137 I N -0.977 119.519 120.570 -0.124 0.000 2.529 137 I HA 0.283 4.451 4.170 -0.003 0.000 0.284 137 I C 0.296 176.496 176.117 0.137 0.000 1.082 137 I CA -0.216 61.057 61.300 -0.044 0.000 1.406 137 I CB 1.467 39.266 38.000 -0.335 0.000 1.405 137 I HN 0.038 nan 8.210 nan 0.000 0.548 138 A N 5.462 128.415 122.820 0.223 0.000 2.863 138 A HA -0.028 4.290 4.320 -0.003 0.000 0.246 138 A C 0.114 177.610 177.584 -0.146 0.000 1.772 138 A CA -0.007 52.024 52.037 -0.011 0.000 1.456 138 A CB -1.316 17.465 19.000 -0.365 0.000 0.930 138 A HN 0.684 nan 8.150 nan 0.000 0.630 139 Y N 1.140 121.361 120.300 -0.132 0.000 2.632 139 Y HA 0.339 4.888 4.550 -0.003 0.000 0.336 139 Y C -0.532 175.321 175.900 -0.080 0.000 1.237 139 Y CA -1.987 56.025 58.100 -0.145 0.000 1.595 139 Y CB -0.331 38.048 38.460 -0.136 0.000 1.508 139 Y HN 0.513 nan 8.280 nan 0.000 0.480 140 W N 5.456 126.345 121.300 -0.685 0.000 2.397 140 W HA 0.411 5.070 4.660 -0.003 0.000 0.327 140 W C -0.365 175.418 176.519 -1.228 0.000 1.421 140 W CA -0.479 56.197 57.345 -1.116 0.000 1.288 140 W CB 0.175 28.795 29.460 -1.399 0.000 1.312 140 W HN 0.236 nan 8.180 nan 0.000 0.559 141 V N 4.391 123.807 119.914 -0.830 0.000 3.088 141 V HA 0.110 4.228 4.120 -0.003 0.000 0.272 141 V C -0.727 175.329 176.094 -0.064 0.000 1.611 141 V CA -0.945 61.133 62.300 -0.370 0.000 0.990 141 V CB 1.754 33.286 31.823 -0.485 0.000 1.234 141 V HN 0.326 nan 8.190 nan 0.000 0.453 142 D N 3.379 123.868 120.400 0.149 0.000 2.443 142 D HA 0.356 4.994 4.640 -0.003 0.000 0.239 142 D C 0.657 176.991 176.300 0.056 0.000 1.136 142 D CA 0.460 54.541 54.000 0.135 0.000 0.879 142 D CB 1.670 42.543 40.800 0.123 0.000 1.195 142 D HN 0.589 nan 8.370 nan 0.000 0.443 143 L N 1.483 122.748 121.223 0.070 0.000 3.017 143 L HA 0.023 4.361 4.340 -0.003 0.000 0.265 143 L C 1.930 178.854 176.870 0.090 0.000 1.128 143 L CA -0.029 54.858 54.840 0.078 0.000 0.984 143 L CB 0.252 42.381 42.059 0.117 0.000 1.464 143 L HN 0.375 nan 8.230 nan 0.000 0.556 144 E N 1.108 121.354 120.200 0.075 0.000 2.338 144 E HA -0.195 4.153 4.350 -0.003 0.000 0.197 144 E C 0.527 177.160 176.600 0.056 0.000 1.007 144 E CA 1.504 57.939 56.400 0.059 0.000 0.849 144 E CB 0.002 29.731 29.700 0.048 0.000 0.774 144 E HN 0.511 nan 8.360 nan 0.000 0.506 145 D N 0.261 120.701 120.400 0.067 0.000 2.819 145 D HA 0.237 4.875 4.640 -0.003 0.000 0.326 145 D C -0.249 176.106 176.300 0.093 0.000 1.408 145 D CA -0.386 53.658 54.000 0.074 0.000 0.811 145 D CB 0.156 40.999 40.800 0.071 0.000 1.148 145 D HN 0.226 nan 8.370 nan 0.000 0.457 146 A N 0.871 123.740 122.820 0.081 0.000 2.445 146 A HA 0.428 4.746 4.320 -0.003 0.000 0.242 146 A C -0.135 177.501 177.584 0.086 0.000 1.075 146 A CA -0.517 51.538 52.037 0.029 0.000 0.777 146 A CB 0.034 19.019 19.000 -0.026 0.000 1.013 146 A HN 0.431 nan 8.150 nan 0.000 0.493 147 Y N -0.552 119.783 120.300 0.058 0.000 2.374 147 Y HA 0.688 5.236 4.550 -0.003 0.000 0.322 147 Y C 0.069 176.033 175.900 0.107 0.000 1.275 147 Y CA -1.000 57.154 58.100 0.089 0.000 1.307 147 Y CB 1.017 39.546 38.460 0.115 0.000 1.282 147 Y HN 0.825 nan 8.280 nan 0.000 0.509 148 A N 1.076 123.989 122.820 0.154 0.000 2.402 148 A HA 0.392 4.710 4.320 -0.003 0.000 0.291 148 A C 0.609 178.049 177.584 -0.239 0.000 1.051 148 A CA -0.313 51.734 52.037 0.017 0.000 0.716 148 A CB 0.463 19.561 19.000 0.164 0.000 1.223 148 A HN 1.066 nan 8.150 nan 0.000 0.425 149 T N 0.263 114.504 114.554 -0.523 0.000 3.026 149 T HA -0.152 4.196 4.350 -0.003 0.000 0.271 149 T C 1.076 175.476 174.700 -0.499 0.000 1.149 149 T CA 1.976 63.538 62.100 -0.897 0.000 1.088 149 T CB -0.854 67.667 68.868 -0.578 0.000 0.857 149 T HN 1.126 nan 8.240 nan 0.000 0.551 150 L N -1.141 119.847 121.223 -0.391 0.000 2.628 150 L HA 0.514 4.852 4.340 -0.003 0.000 0.229 150 L C 0.178 177.123 176.870 0.124 0.000 1.137 150 L CA -0.799 53.916 54.840 -0.208 0.000 0.909 150 L CB -0.872 41.030 42.059 -0.261 0.000 1.137 150 L HN 0.149 nan 8.230 nan 0.000 0.470 151 E N 1.659 121.921 120.200 0.104 0.000 2.316 151 E HA 0.140 4.488 4.350 -0.003 0.000 0.275 151 E C -1.641 175.072 176.600 0.188 0.000 1.029 151 E CA -1.696 54.793 56.400 0.148 0.000 0.871 151 E CB 0.709 30.494 29.700 0.142 0.000 1.022 151 E HN 0.034 nan 8.360 nan 0.000 0.418 152 P HA -0.299 nan 4.420 nan 0.000 0.218 152 P C 1.435 178.915 177.300 0.301 0.000 1.150 152 P CA 1.878 65.109 63.100 0.219 0.000 0.841 152 P CB 0.076 31.834 31.700 0.097 0.000 0.784 153 T N -4.502 110.121 114.554 0.114 0.000 2.735 153 T HA -0.201 4.147 4.350 -0.003 0.000 0.256 153 T C 1.801 176.559 174.700 0.096 0.000 1.042 153 T CA 0.801 62.863 62.100 -0.064 0.000 1.147 153 T CB -1.615 66.914 68.868 -0.565 0.000 0.865 153 T HN 0.028 nan 8.240 nan 0.000 0.421 154 Y N 1.910 122.222 120.300 0.020 0.000 2.139 154 Y HA -0.175 4.373 4.550 -0.003 0.000 0.282 154 Y C 2.232 178.168 175.900 0.061 0.000 1.179 154 Y CA 1.563 59.692 58.100 0.048 0.000 1.161 154 Y CB -0.427 38.075 38.460 0.070 0.000 0.970 154 Y HN 0.212 nan 8.280 nan 0.000 0.511 155 I N -0.215 120.525 120.570 0.284 0.000 2.252 155 I HA -0.277 3.891 4.170 -0.003 0.000 0.245 155 I C 2.463 178.489 176.117 -0.153 0.000 1.102 155 I CA 1.765 63.145 61.300 0.132 0.000 1.385 155 I CB -0.471 37.562 38.000 0.056 0.000 1.064 155 I HN 0.325 nan 8.210 nan 0.000 0.414 156 E N 0.548 120.560 120.200 -0.313 0.000 2.110 156 E HA -0.226 4.123 4.350 -0.003 0.000 0.193 156 E C 2.267 178.853 176.600 -0.023 0.000 0.988 156 E CA 1.351 57.370 56.400 -0.636 0.000 0.804 156 E CB 0.097 29.129 29.700 -1.113 0.000 0.745 156 E HN 0.260 nan 8.360 nan 0.000 0.458 157 S N 0.123 115.911 115.700 0.148 0.000 2.356 157 S HA -0.131 4.338 4.470 -0.003 0.000 0.223 157 S C 1.904 176.841 174.600 0.562 0.000 1.032 157 S CA 1.081 59.524 58.200 0.405 0.000 1.005 157 S CB -0.207 63.083 63.200 0.150 0.000 0.867 157 S HN 0.307 nan 8.310 nan 0.000 0.449 158 I N -0.142 120.639 120.570 0.352 0.000 2.208 158 I HA -0.231 3.937 4.170 -0.003 0.000 0.245 158 I C 1.942 178.379 176.117 0.533 0.000 1.097 158 I CA 1.190 62.772 61.300 0.470 0.000 1.363 158 I CB -0.323 37.927 38.000 0.418 0.000 1.051 158 I HN 0.435 nan 8.210 nan 0.000 0.413 159 W N 0.104 121.515 121.300 0.186 0.000 2.392 159 W HA -0.214 4.444 4.660 -0.003 0.000 0.279 159 W C 2.319 178.929 176.519 0.151 0.000 1.225 159 W CA 0.443 57.858 57.345 0.117 0.000 1.233 159 W CB -1.220 28.296 29.460 0.094 0.000 1.122 159 W HN 0.366 nan 8.180 nan 0.000 0.561 160 W N 1.867 123.384 121.300 0.361 0.000 2.379 160 W HA -0.224 4.434 4.660 -0.003 0.000 0.307 160 W C 2.593 179.217 176.519 0.176 0.000 1.200 160 W CA 3.132 60.619 57.345 0.236 0.000 1.297 160 W CB -0.821 28.753 29.460 0.190 0.000 1.140 160 W HN -0.125 nan 8.180 nan 0.000 0.507 161 S N 0.599 116.164 115.700 -0.225 0.000 2.368 161 S HA -0.228 4.240 4.470 -0.003 0.000 0.224 161 S C 2.022 176.447 174.600 -0.291 0.000 1.029 161 S CA 1.564 59.412 58.200 -0.587 0.000 0.988 161 S CB -1.136 62.075 63.200 0.020 0.000 0.838 161 S HN 0.411 nan 8.310 nan 0.000 0.462 162 L N 1.314 122.486 121.223 -0.084 0.000 2.083 162 L HA -0.062 4.276 4.340 -0.003 0.000 0.209 162 L C 2.940 179.748 176.870 -0.104 0.000 1.083 162 L CA 1.664 56.422 54.840 -0.136 0.000 0.752 162 L CB -0.515 41.409 42.059 -0.226 0.000 0.899 162 L HN 0.395 nan 8.230 nan 0.000 0.433 163 K N 0.595 120.935 120.400 -0.100 0.000 2.097 163 K HA -0.217 4.101 4.320 -0.003 0.000 0.205 163 K C 1.846 178.424 176.600 -0.037 0.000 1.050 163 K CA 1.597 57.874 56.287 -0.016 0.000 0.938 163 K CB 0.003 32.510 32.500 0.013 0.000 0.718 163 K HN 0.211 nan 8.250 nan 0.000 0.442 164 N N 0.719 119.263 118.700 -0.260 0.000 2.025 164 N HA -0.186 4.552 4.740 -0.003 0.000 0.194 164 N C 1.815 177.243 175.510 -0.136 0.000 1.044 164 N CA 1.727 54.597 53.050 -0.300 0.000 0.851 164 N CB -0.165 37.934 38.487 -0.645 0.000 1.036 164 N HN 0.123 nan 8.380 nan 0.000 0.422 165 L N -0.900 120.253 121.223 -0.117 0.000 2.012 165 L HA -0.156 4.182 4.340 -0.003 0.000 0.210 165 L C 2.194 179.113 176.870 0.081 0.000 1.073 165 L CA 1.263 56.096 54.840 -0.012 0.000 0.748 165 L CB -0.735 41.326 42.059 0.004 0.000 0.891 165 L HN 0.254 nan 8.230 nan 0.000 0.431 166 F N 1.462 121.395 119.950 -0.029 0.000 2.102 166 F HA -0.255 4.270 4.527 -0.003 0.000 0.298 166 F C 2.237 178.056 175.800 0.033 0.000 1.105 166 F CA 1.835 59.855 58.000 0.032 0.000 1.239 166 F CB -0.287 38.718 39.000 0.008 0.000 0.991 166 F HN 0.092 nan 8.300 nan 0.000 0.474 167 D N 0.101 120.536 120.400 0.058 0.000 2.149 167 D HA -0.155 4.483 4.640 -0.003 0.000 0.198 167 D C 2.266 178.512 176.300 -0.092 0.000 0.990 167 D CA 1.275 55.253 54.000 -0.037 0.000 0.839 167 D CB -0.300 40.522 40.800 0.037 0.000 0.948 167 D HN 0.362 nan 8.370 nan 0.000 0.460 168 R N -0.654 119.813 120.500 -0.055 0.000 2.276 168 R HA 0.167 4.505 4.340 -0.003 0.000 0.203 168 R C 1.284 177.556 176.300 -0.047 0.000 1.017 168 R CA 0.641 56.720 56.100 -0.035 0.000 1.010 168 R CB 0.258 30.560 30.300 0.003 0.000 0.900 168 R HN 0.143 nan 8.270 nan 0.000 0.469 169 G N 0.841 109.585 108.800 -0.095 0.000 2.149 169 G HA2 -0.233 3.726 3.960 -0.003 0.000 0.235 169 G HA3 -0.233 3.726 3.960 -0.003 0.000 0.235 169 G C 0.371 175.281 174.900 0.016 0.000 1.018 169 G CA -0.164 44.881 45.100 -0.090 0.000 0.728 169 G HN 0.291 nan 8.290 nan 0.000 0.508 170 L N -1.097 120.180 121.223 0.090 0.000 2.693 170 L HA 0.512 4.850 4.340 -0.003 0.000 0.235 170 L C 0.570 177.607 176.870 0.279 0.000 1.127 170 L CA -0.129 54.824 54.840 0.188 0.000 0.914 170 L CB 0.637 42.824 42.059 0.213 0.000 1.193 170 L HN 0.225 nan 8.230 nan 0.000 0.502 171 L N 0.901 122.300 121.223 0.294 0.000 2.377 171 L HA 0.416 4.754 4.340 -0.003 0.000 0.270 171 L C -0.728 176.462 176.870 0.534 0.000 0.991 171 L CA -0.492 54.578 54.840 0.383 0.000 0.851 171 L CB 0.770 43.024 42.059 0.325 0.000 1.218 171 L HN 0.091 nan 8.230 nan 0.000 0.420 172 Y N 2.554 123.035 120.300 0.302 0.000 2.634 172 Y HA 0.759 5.307 4.550 -0.003 0.000 0.340 172 Y C -0.849 175.001 175.900 -0.084 0.000 1.058 172 Y CA -1.327 56.851 58.100 0.129 0.000 1.081 172 Y CB 1.207 39.679 38.460 0.019 0.000 1.295 172 Y HN 0.603 nan 8.280 nan 0.000 0.487 173 R N 1.751 121.863 120.500 -0.647 0.000 2.664 173 R HA 0.578 4.916 4.340 -0.003 0.000 0.286 173 R C -2.005 174.088 176.300 -0.345 0.000 0.967 173 R CA -0.380 55.101 56.100 -1.031 0.000 0.933 173 R CB 1.769 30.993 30.300 -1.793 0.000 1.146 173 R HN 1.017 nan 8.270 nan 0.000 0.468 174 D N -0.367 119.916 120.400 -0.195 0.000 2.683 174 D HA 0.114 4.753 4.640 -0.003 0.000 0.246 174 D C -1.850 174.488 176.300 0.062 0.000 1.238 174 D CA -0.454 53.559 54.000 0.022 0.000 0.759 174 D CB 1.169 42.046 40.800 0.128 0.000 1.349 174 D HN 0.544 nan 8.370 nan 0.000 0.426 175 H N 2.563 121.630 119.070 -0.005 0.000 2.680 175 H HA 0.365 4.919 4.556 -0.003 0.000 0.260 175 H C -0.675 174.646 175.328 -0.011 0.000 1.328 175 H CA -0.087 55.952 56.048 -0.014 0.000 1.269 175 H CB 0.152 29.885 29.762 -0.049 0.000 1.446 175 H HN 0.361 nan 8.280 nan 0.000 0.527 176 K N 1.145 121.640 120.400 0.159 0.000 2.433 176 K HA 0.451 4.769 4.320 -0.003 0.000 0.252 176 K C -0.895 175.773 176.600 0.113 0.000 1.015 176 K CA -1.208 55.148 56.287 0.116 0.000 0.860 176 K CB 1.655 34.190 32.500 0.058 0.000 1.359 176 K HN -0.058 nan 8.250 nan 0.000 0.452 177 V N 2.142 122.102 119.914 0.076 0.000 2.479 177 V HA 0.143 4.262 4.120 -0.003 0.000 0.281 177 V C 0.197 176.421 176.094 0.217 0.000 1.031 177 V CA -0.243 62.122 62.300 0.109 0.000 1.038 177 V CB 0.523 32.385 31.823 0.066 0.000 0.981 177 V HN 0.600 nan 8.190 nan 0.000 0.478 178 V N 4.117 124.200 119.914 0.281 0.000 3.126 178 V HA 0.760 4.878 4.120 -0.003 0.000 0.314 178 V C -2.932 173.365 176.094 0.339 0.000 1.138 178 V CA -3.068 59.429 62.300 0.329 0.000 1.034 178 V CB 2.198 34.191 31.823 0.283 0.000 1.075 178 V HN 0.588 nan 8.190 nan 0.000 0.442 179 P HA 0.384 nan 4.420 nan 0.000 0.276 179 P C -1.783 175.582 177.300 0.109 0.000 1.230 179 P CA 0.359 63.447 63.100 -0.021 0.000 0.776 179 P CB 0.085 31.753 31.700 -0.053 0.000 0.888 180 Y N 2.700 122.945 120.300 -0.091 0.000 2.442 180 Y HA 0.469 5.017 4.550 -0.003 0.000 0.344 180 Y C -0.962 174.885 175.900 -0.087 0.000 0.976 180 Y CA -0.872 57.206 58.100 -0.037 0.000 1.040 180 Y CB 1.376 39.841 38.460 0.008 0.000 1.228 180 Y HN 0.409 nan 8.280 nan 0.000 0.451 181 C N 9.676 128.804 119.300 -0.286 0.000 2.255 181 C HA 0.454 4.912 4.460 -0.003 0.000 0.326 181 C C -1.329 173.547 174.990 -0.190 0.000 1.258 181 C CA -2.261 56.671 59.018 -0.144 0.000 1.676 181 C CB 0.457 28.124 27.740 -0.122 0.000 2.314 181 C HN 0.804 nan 8.230 nan 0.000 0.509 182 P HA -0.111 nan 4.420 nan 0.000 0.222 182 P C 1.322 178.707 177.300 0.142 0.000 1.153 182 P CA 1.166 64.414 63.100 0.247 0.000 0.798 182 P CB 0.124 32.003 31.700 0.298 0.000 0.796 183 R N 0.131 120.685 120.500 0.090 0.000 2.119 183 R HA 0.018 4.357 4.340 -0.003 0.000 0.222 183 R C 1.700 177.986 176.300 -0.023 0.000 1.088 183 R CA 1.852 57.968 56.100 0.028 0.000 0.984 183 R CB -1.482 28.827 30.300 0.016 0.000 0.884 183 R HN 0.071 nan 8.270 nan 0.000 0.447 184 C N 0.162 119.423 119.300 -0.064 0.000 2.735 184 C HA 0.471 4.929 4.460 -0.003 0.000 0.271 184 C C 1.130 176.046 174.990 -0.125 0.000 1.281 184 C CA 0.017 58.986 59.018 -0.082 0.000 1.719 184 C CB -0.544 27.141 27.740 -0.091 0.000 2.024 184 C HN 0.768 nan 8.230 nan 0.000 0.566 185 G N 1.920 110.590 108.800 -0.217 0.000 2.351 185 G HA2 -0.112 3.846 3.960 -0.003 0.000 0.297 185 G HA3 -0.112 3.846 3.960 -0.003 0.000 0.297 185 G C -0.103 174.558 174.900 -0.398 0.000 1.054 185 G CA 0.764 45.707 45.100 -0.261 0.000 1.123 185 G HN 0.597 nan 8.290 nan 0.000 0.512 186 T N -0.326 113.767 114.554 -0.768 0.000 2.886 186 T HA 0.629 4.977 4.350 -0.003 0.000 0.330 186 T C -2.949 171.499 174.700 -0.421 0.000 1.488 186 T CA -0.645 61.210 62.100 -0.410 0.000 1.054 186 T CB 2.108 70.877 68.868 -0.165 0.000 1.348 186 T HN 0.038 nan 8.240 nan 0.000 0.489 187 P HA 0.547 nan 4.420 nan 0.000 0.274 187 P C -0.698 176.621 177.300 0.032 0.000 1.246 187 P CA -0.487 62.648 63.100 0.058 0.000 0.795 187 P CB 0.586 32.343 31.700 0.095 0.000 1.006 188 L N -0.341 120.922 121.223 0.066 0.000 2.230 188 L HA 0.601 4.939 4.340 -0.003 0.000 0.255 188 L C 0.271 177.179 176.870 0.063 0.000 1.039 188 L CA -0.856 54.028 54.840 0.074 0.000 0.846 188 L CB 1.942 44.037 42.059 0.059 0.000 1.419 188 L HN 0.404 nan 8.230 nan 0.000 0.435 189 S N -1.854 113.826 115.700 -0.033 0.000 2.607 189 S HA 0.377 4.845 4.470 -0.003 0.000 0.303 189 S C 0.642 175.116 174.600 -0.211 0.000 1.086 189 S CA -0.250 57.875 58.200 -0.124 0.000 0.995 189 S CB 1.775 64.757 63.200 -0.362 0.000 1.084 189 S HN 0.611 nan 8.310 nan 0.000 0.507 190 S N 1.534 117.211 115.700 -0.038 0.000 2.377 190 S HA -0.313 4.155 4.470 -0.003 0.000 0.224 190 S C 1.700 176.382 174.600 0.137 0.000 1.042 190 S CA 2.239 60.513 58.200 0.122 0.000 1.086 190 S CB -1.700 61.631 63.200 0.219 0.000 0.995 190 S HN 1.040 nan 8.310 nan 0.000 0.428 191 H N 1.584 120.794 119.070 0.232 0.000 2.357 191 H HA -0.092 4.462 4.556 -0.003 0.000 0.296 191 H C 1.974 177.072 175.328 -0.384 0.000 1.108 191 H CA 1.576 57.491 56.048 -0.222 0.000 1.273 191 H CB -0.644 28.692 29.762 -0.710 0.000 1.367 191 H HN 0.498 nan 8.280 nan 0.000 0.498 192 E N 0.701 120.536 120.200 -0.609 0.000 2.031 192 E HA -0.130 4.218 4.350 -0.003 0.000 0.193 192 E C 2.536 178.911 176.600 -0.375 0.000 0.994 192 E CA 1.304 57.302 56.400 -0.671 0.000 0.800 192 E CB -0.039 29.333 29.700 -0.547 0.000 0.752 192 E HN 0.300 nan 8.360 nan 0.000 0.447 193 V N 1.566 121.353 119.914 -0.213 0.000 2.282 193 V HA -0.329 3.789 4.120 -0.003 0.000 0.249 193 V C 2.350 178.346 176.094 -0.164 0.000 1.057 193 V CA 1.955 64.142 62.300 -0.188 0.000 1.032 193 V CB -0.845 30.896 31.823 -0.135 0.000 0.645 193 V HN 0.360 nan 8.190 nan 0.000 0.447 194 A N -0.850 121.977 122.820 0.012 0.000 2.076 194 A HA -0.178 4.140 4.320 -0.003 0.000 0.220 194 A C 2.045 179.690 177.584 0.102 0.000 1.160 194 A CA 1.730 53.879 52.037 0.186 0.000 0.653 194 A CB -0.432 18.708 19.000 0.233 0.000 0.801 194 A HN 0.439 nan 8.150 nan 0.000 0.455 195 L N -1.650 119.540 121.223 -0.055 0.000 2.446 195 L HA 0.216 4.554 4.340 -0.003 0.000 0.219 195 L C 1.714 178.629 176.870 0.075 0.000 1.116 195 L CA 1.278 56.097 54.840 -0.035 0.000 0.844 195 L CB -0.079 41.869 42.059 -0.185 0.000 0.970 195 L HN 0.330 nan 8.230 nan 0.000 0.457 196 G N -2.252 106.576 108.800 0.046 0.000 4.547 196 G HA2 0.105 4.063 3.960 -0.003 0.000 0.301 196 G HA3 0.105 4.063 3.960 -0.003 0.000 0.301 196 G C -0.495 174.419 174.900 0.023 0.000 1.240 196 G CA -0.252 44.899 45.100 0.085 0.000 0.970 196 G HN -0.021 nan 8.290 nan 0.000 0.574 197 Y N 0.640 120.984 120.300 0.073 0.000 2.299 197 Y HA 0.542 5.092 4.550 -0.000 0.000 0.335 197 Y C 0.759 176.688 175.900 0.048 0.000 1.287 197 Y CA 0.265 58.412 58.100 0.078 0.000 1.424 197 Y CB 1.131 39.623 38.460 0.054 0.000 1.326 197 Y HN 0.127 nan 8.280 nan 0.000 0.567 198 K N 1.449 121.996 120.400 0.244 0.000 2.609 198 K HA 0.086 4.404 4.320 -0.003 0.000 0.261 198 K C -1.489 175.181 176.600 0.116 0.000 0.945 198 K CA -0.672 55.628 56.287 0.022 0.000 0.898 198 K CB 0.873 33.142 32.500 -0.386 0.000 1.349 198 K HN 0.761 nan 8.250 nan 0.000 0.420 199 E N 5.372 125.619 120.200 0.078 0.000 2.413 199 E HA 0.174 4.522 4.350 -0.003 0.000 0.263 199 E C -0.796 175.893 176.600 0.147 0.000 1.015 199 E CA -0.185 56.276 56.400 0.102 0.000 0.916 199 E CB 0.998 30.740 29.700 0.070 0.000 0.947 199 E HN 0.503 nan 8.360 nan 0.000 0.440 200 I N 1.231 121.904 120.570 0.171 0.000 3.174 200 I HA 0.199 4.367 4.170 -0.003 0.000 0.313 200 I C -1.546 174.678 176.117 0.178 0.000 1.155 200 I CA -1.149 60.274 61.300 0.205 0.000 0.977 200 I CB 2.429 40.589 38.000 0.267 0.000 1.248 200 I HN 0.630 nan 8.210 nan 0.000 0.453 201 Q N 3.384 123.276 119.800 0.153 0.000 2.347 201 Q HA 0.390 4.729 4.340 -0.003 0.000 0.262 201 Q C -1.764 174.315 176.000 0.132 0.000 0.980 201 Q CA -0.240 55.645 55.803 0.137 0.000 0.867 201 Q CB 1.094 29.893 28.738 0.101 0.000 1.242 201 Q HN 0.413 nan 8.270 nan 0.000 0.453 202 D N 4.076 124.573 120.400 0.161 0.000 2.490 202 D HA 0.474 5.112 4.640 -0.003 0.000 0.232 202 D C -2.583 173.770 176.300 0.090 0.000 1.053 202 D CA -1.477 52.599 54.000 0.127 0.000 0.914 202 D CB 2.117 43.025 40.800 0.181 0.000 1.431 202 D HN 0.392 nan 8.370 nan 0.000 0.483 203 P HA 0.130 nan 4.420 nan 0.000 0.284 203 P C -0.724 176.504 177.300 -0.121 0.000 1.253 203 P CA -0.403 62.687 63.100 -0.016 0.000 0.800 203 P CB 1.108 32.792 31.700 -0.026 0.000 0.961 204 S N 2.563 118.199 115.700 -0.107 0.000 2.532 204 S HA 0.479 4.947 4.470 -0.003 0.000 0.318 204 S C -0.320 174.156 174.600 -0.206 0.000 1.083 204 S CA -0.573 57.481 58.200 -0.242 0.000 1.131 204 S CB -0.720 62.459 63.200 -0.036 0.000 0.973 204 S HN 0.339 nan 8.310 nan 0.000 0.468 205 V N 3.405 123.105 119.914 -0.356 0.000 2.735 205 V HA 0.673 4.791 4.120 -0.003 0.000 0.310 205 V C -1.663 174.268 176.094 -0.271 0.000 1.061 205 V CA -0.993 61.186 62.300 -0.202 0.000 0.913 205 V CB 1.305 33.068 31.823 -0.101 0.000 1.005 205 V HN 0.722 nan 8.190 nan 0.000 0.428 206 Y N 2.963 123.330 120.300 0.111 0.000 2.854 206 Y HA 0.614 5.162 4.550 -0.004 0.000 0.330 206 Y C 0.333 176.299 175.900 0.110 0.000 1.037 206 Y CA -0.680 57.478 58.100 0.097 0.000 1.263 206 Y CB 1.414 39.890 38.460 0.027 0.000 1.120 206 Y HN 0.573 nan 8.280 nan 0.000 0.532 207 V N 3.913 123.935 119.914 0.180 0.000 2.732 207 V HA 0.330 4.449 4.120 -0.003 0.000 0.297 207 V C 0.152 176.390 176.094 0.240 0.000 1.060 207 V CA -0.826 61.596 62.300 0.203 0.000 1.038 207 V CB 1.195 33.137 31.823 0.199 0.000 1.003 207 V HN 0.681 nan 8.190 nan 0.000 0.481 208 R N 2.590 123.247 120.500 0.261 0.000 2.346 208 R HA 0.569 4.907 4.340 -0.003 0.000 0.311 208 R C -1.583 174.927 176.300 0.349 0.000 0.983 208 R CA -0.484 55.767 56.100 0.250 0.000 0.880 208 R CB 0.798 31.214 30.300 0.193 0.000 1.100 208 R HN 0.373 nan 8.270 nan 0.000 0.453 209 F N 3.903 123.807 119.950 -0.076 0.000 2.311 209 F HA 0.424 4.949 4.527 -0.002 0.000 0.371 209 F C -2.071 173.698 175.800 -0.051 0.000 1.083 209 F CA -2.914 55.010 58.000 -0.126 0.000 1.113 209 F CB 1.347 40.134 39.000 -0.354 0.000 1.349 209 F HN 0.445 nan 8.300 nan 0.000 0.470 210 P HA -0.021 nan 4.420 nan 0.000 0.267 210 P C -0.495 176.881 177.300 0.126 0.000 1.201 210 P CA 0.008 63.160 63.100 0.086 0.000 0.775 210 P CB 0.628 32.347 31.700 0.032 0.000 0.854 211 L N 2.884 124.167 121.223 0.100 0.000 2.360 211 L HA 0.271 4.609 4.340 -0.003 0.000 0.271 211 L C 1.455 178.363 176.870 0.064 0.000 1.057 211 L CA 0.065 54.968 54.840 0.105 0.000 0.803 211 L CB 0.718 42.818 42.059 0.068 0.000 1.207 211 L HN 0.434 nan 8.230 nan 0.000 0.445 212 K N 0.637 121.069 120.400 0.053 0.000 2.379 212 K HA 0.109 4.427 4.320 -0.003 0.000 0.194 212 K C -0.392 176.216 176.600 0.014 0.000 1.031 212 K CA 0.443 56.742 56.287 0.020 0.000 1.037 212 K CB 0.680 33.182 32.500 0.003 0.000 0.824 212 K HN 0.431 nan 8.250 nan 0.000 0.516 213 E N 0.671 120.881 120.200 0.017 0.000 3.352 213 E HA 0.087 4.435 4.350 -0.003 0.000 0.254 213 E C -2.330 174.273 176.600 0.006 0.000 1.229 213 E CA -1.307 55.098 56.400 0.008 0.000 0.949 213 E CB 1.316 31.016 29.700 0.000 0.000 1.373 213 E HN 0.034 nan 8.360 nan 0.000 0.392 214 P HA -0.114 nan 4.420 nan 0.000 0.223 214 P C 0.767 178.077 177.300 0.017 0.000 1.151 214 P CA 0.773 63.883 63.100 0.017 0.000 0.787 214 P CB 0.525 32.245 31.700 0.033 0.000 0.788 215 K N 0.582 120.992 120.400 0.017 0.000 2.148 215 K HA -0.090 4.228 4.320 -0.003 0.000 0.204 215 K C 2.162 178.773 176.600 0.018 0.000 1.050 215 K CA 1.026 57.326 56.287 0.023 0.000 0.942 215 K CB -0.487 32.024 32.500 0.019 0.000 0.724 215 K HN -0.035 nan 8.250 nan 0.000 0.446 216 K N 0.389 120.790 120.400 0.001 0.000 2.293 216 K HA -0.077 4.241 4.320 -0.003 0.000 0.204 216 K C 0.785 177.377 176.600 -0.014 0.000 1.045 216 K CA 0.931 57.212 56.287 -0.009 0.000 0.933 216 K CB 0.105 32.589 32.500 -0.026 0.000 0.736 216 K HN 0.033 nan 8.250 nan 0.000 0.463 217 L N -0.804 120.406 121.223 -0.022 0.000 2.769 217 L HA 0.275 4.613 4.340 -0.003 0.000 0.240 217 L C 0.811 177.759 176.870 0.131 0.000 1.163 217 L CA 0.802 55.630 54.840 -0.021 0.000 0.962 217 L CB -0.404 41.528 42.059 -0.213 0.000 1.258 217 L HN 0.386 nan 8.230 nan 0.000 0.513 218 G N 1.162 110.015 108.800 0.088 0.000 2.221 218 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.265 218 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.265 218 G C 0.070 175.028 174.900 0.097 0.000 1.041 218 G CA 0.285 45.441 45.100 0.093 0.000 0.807 218 G HN 0.322 nan 8.290 nan 0.000 0.502 219 L N -1.416 119.858 121.223 0.085 0.000 2.333 219 L HA 0.624 4.963 4.340 -0.003 0.000 0.269 219 L C 1.314 178.218 176.870 0.057 0.000 1.010 219 L CA -1.034 53.855 54.840 0.083 0.000 0.818 219 L CB 1.616 43.737 42.059 0.103 0.000 1.306 219 L HN 0.118 nan 8.230 nan 0.000 0.430 220 E N 1.616 121.848 120.200 0.054 0.000 2.014 220 E HA -0.063 4.286 4.350 -0.003 0.000 0.190 220 E C -0.085 176.540 176.600 0.041 0.000 0.980 220 E CA 1.370 57.795 56.400 0.042 0.000 0.807 220 E CB 0.337 30.061 29.700 0.039 0.000 0.770 220 E HN 0.328 nan 8.360 nan 0.000 0.451 221 K N -0.169 120.261 120.400 0.050 0.000 2.716 221 K HA 0.629 4.947 4.320 -0.003 0.000 0.249 221 K C -1.765 174.874 176.600 0.065 0.000 1.004 221 K CA -0.049 56.267 56.287 0.049 0.000 0.968 221 K CB 1.199 33.724 32.500 0.041 0.000 1.214 221 K HN 0.140 nan 8.250 nan 0.000 0.476 222 A N 1.843 124.704 122.820 0.069 0.000 2.423 222 A HA 0.914 5.232 4.320 -0.003 0.000 0.304 222 A C -1.064 176.570 177.584 0.083 0.000 1.104 222 A CA -0.680 51.409 52.037 0.086 0.000 0.757 222 A CB 1.716 20.775 19.000 0.098 0.000 1.313 222 A HN 0.549 nan 8.150 nan 0.000 0.423 223 S N -0.146 115.611 115.700 0.095 0.000 2.540 223 S HA 0.551 5.019 4.470 -0.003 0.000 0.275 223 S C -0.876 173.773 174.600 0.082 0.000 1.123 223 S CA -0.524 57.733 58.200 0.095 0.000 0.907 223 S CB 1.205 64.468 63.200 0.105 0.000 1.081 223 S HN 0.601 nan 8.310 nan 0.000 0.476 224 L N 2.429 123.688 121.223 0.061 0.000 2.380 224 L HA 0.413 4.752 4.340 -0.003 0.000 0.273 224 L C -0.288 176.575 176.870 -0.011 0.000 1.138 224 L CA -0.300 54.537 54.840 -0.006 0.000 0.832 224 L CB 0.294 42.295 42.059 -0.096 0.000 1.124 224 L HN 0.424 nan 8.230 nan 0.000 0.454 225 L N 4.958 126.158 121.223 -0.039 0.000 2.262 225 L HA 0.419 4.758 4.340 -0.003 0.000 0.288 225 L C -0.375 176.463 176.870 -0.054 0.000 1.035 225 L CA -0.531 54.284 54.840 -0.041 0.000 0.820 225 L CB 0.821 42.803 42.059 -0.129 0.000 1.204 225 L HN 0.477 nan 8.230 nan 0.000 0.424 226 I N 4.609 125.117 120.570 -0.103 0.000 2.664 226 I HA 0.378 4.546 4.170 -0.003 0.000 0.308 226 I C -0.193 175.964 176.117 0.066 0.000 0.984 226 I CA -0.463 60.749 61.300 -0.147 0.000 1.213 226 I CB 1.540 39.212 38.000 -0.547 0.000 1.379 226 I HN 0.654 nan 8.210 nan 0.000 0.501 227 W N 5.050 126.255 121.300 -0.158 0.000 2.950 227 W HA 0.689 5.348 4.660 -0.001 0.000 0.340 227 W C -1.610 174.773 176.519 -0.227 0.000 1.139 227 W CA -0.832 56.352 57.345 -0.267 0.000 1.188 227 W CB 1.907 31.169 29.460 -0.330 0.000 1.426 227 W HN 0.583 nan 8.180 nan 0.000 0.531 228 T N 1.021 114.870 114.554 -1.176 0.000 2.831 228 T HA 0.208 4.556 4.350 -0.003 0.000 0.333 228 T C -0.007 174.037 174.700 -1.094 0.000 1.684 228 T CA 0.338 61.791 62.100 -1.078 0.000 1.049 228 T CB 0.856 69.445 68.868 -0.465 0.000 1.518 228 T HN 0.648 nan 8.240 nan 0.000 0.491 229 T N -0.710 113.360 114.554 -0.807 0.000 3.084 229 T HA 0.298 4.646 4.350 -0.003 0.000 0.270 229 T C 0.623 175.161 174.700 -0.270 0.000 1.008 229 T CA 0.597 62.380 62.100 -0.527 0.000 0.900 229 T CB -0.239 68.406 68.868 -0.372 0.000 1.084 229 T HN 0.874 nan 8.240 nan 0.000 0.538 230 T N -0.661 113.703 114.554 -0.316 0.000 3.410 230 T HA 0.481 4.829 4.350 -0.003 0.000 0.328 230 T C -2.298 172.121 174.700 -0.469 0.000 1.567 230 T CA -1.420 60.476 62.100 -0.340 0.000 1.626 230 T CB 1.193 69.781 68.868 -0.466 0.000 0.939 230 T HN -0.171 nan 8.240 nan 0.000 0.656 231 P HA -0.150 nan 4.420 nan 0.000 0.216 231 P C 1.799 178.945 177.300 -0.256 0.000 1.154 231 P CA 1.310 64.280 63.100 -0.217 0.000 0.865 231 P CB -0.237 31.398 31.700 -0.109 0.000 0.789 232 W N 0.209 121.386 121.300 -0.205 0.000 2.504 232 W HA -0.097 4.561 4.660 -0.003 0.000 0.257 232 W C 0.538 176.870 176.519 -0.311 0.000 1.225 232 W CA 1.663 58.854 57.345 -0.256 0.000 1.205 232 W CB -2.217 27.147 29.460 -0.160 0.000 1.137 232 W HN 0.118 nan 8.180 nan 0.000 0.612 233 T N -2.226 111.838 114.554 -0.817 0.000 3.014 233 T HA 0.096 4.444 4.350 -0.003 0.000 0.250 233 T C 1.951 176.560 174.700 -0.150 0.000 1.060 233 T CA 0.127 61.774 62.100 -0.756 0.000 1.040 233 T CB -0.626 67.696 68.868 -0.909 0.000 0.971 233 T HN 0.154 nan 8.240 nan 0.000 0.497 234 L N 1.198 122.296 121.223 -0.208 0.000 2.021 234 L HA -0.024 4.314 4.340 -0.003 0.000 0.215 234 L C -0.632 176.298 176.870 0.099 0.000 1.074 234 L CA 1.560 56.294 54.840 -0.176 0.000 0.760 234 L CB -1.380 40.617 42.059 -0.103 0.000 0.889 234 L HN 0.228 nan 8.230 nan 0.000 0.433 235 P HA -0.095 nan 4.420 nan 0.000 0.236 235 P C 0.998 178.430 177.300 0.220 0.000 1.172 235 P CA 1.280 64.470 63.100 0.151 0.000 0.759 235 P CB -0.094 31.565 31.700 -0.068 0.000 0.843 236 G N -1.575 107.374 108.800 0.247 0.000 3.159 236 G HA2 -0.018 3.940 3.960 -0.003 0.000 0.232 236 G HA3 -0.018 3.940 3.960 -0.003 0.000 0.232 236 G C 0.451 175.547 174.900 0.326 0.000 1.116 236 G CA -0.128 45.171 45.100 0.332 0.000 0.767 236 G HN 0.255 nan 8.290 nan 0.000 0.547 237 N N 0.197 119.173 118.700 0.459 0.000 2.305 237 N HA 0.174 4.912 4.740 -0.003 0.000 0.232 237 N C 1.147 176.803 175.510 0.244 0.000 1.274 237 N CA 1.180 54.551 53.050 0.535 0.000 0.870 237 N CB 1.033 39.926 38.487 0.676 0.000 1.105 237 N HN 0.167 nan 8.380 nan 0.000 0.436 238 V N -2.445 117.532 119.914 0.105 0.000 3.406 238 V HA 0.655 4.773 4.120 -0.003 0.000 0.266 238 V C -0.020 175.934 176.094 -0.235 0.000 1.697 238 V CA 0.247 62.400 62.300 -0.245 0.000 1.046 238 V CB -0.839 30.817 31.823 -0.280 0.000 0.879 238 V HN 0.777 nan 8.190 nan 0.000 0.399 239 A N -0.054 122.782 122.820 0.026 0.000 2.586 239 A HA 0.976 5.295 4.320 -0.003 0.000 0.291 239 A C -0.859 176.807 177.584 0.136 0.000 1.062 239 A CA -0.093 51.948 52.037 0.007 0.000 0.666 239 A CB 1.016 19.817 19.000 -0.330 0.000 1.281 239 A HN 1.783 nan 8.150 nan 0.000 0.421 240 A N -0.286 122.611 122.820 0.128 0.000 2.355 240 A HA 0.980 5.298 4.320 -0.003 0.000 0.324 240 A C -0.098 177.430 177.584 -0.094 0.000 1.117 240 A CA -0.019 51.978 52.037 -0.067 0.000 0.785 240 A CB 1.344 20.224 19.000 -0.200 0.000 1.254 240 A HN 2.550 nan 8.150 nan 0.000 0.453 241 A N 0.743 123.482 122.820 -0.135 0.000 2.393 241 A HA 0.783 5.101 4.320 -0.003 0.000 0.306 241 A C -0.453 177.038 177.584 -0.155 0.000 1.050 241 A CA -0.117 51.830 52.037 -0.151 0.000 0.724 241 A CB 1.280 20.172 19.000 -0.180 0.000 1.248 241 A HN 2.237 nan 8.150 nan 0.000 0.424 242 V N -0.340 119.484 119.914 -0.150 0.000 3.040 242 V HA 0.591 4.709 4.120 -0.003 0.000 0.312 242 V C -0.313 175.749 176.094 -0.052 0.000 1.115 242 V CA -0.776 61.474 62.300 -0.083 0.000 0.998 242 V CB 1.429 33.066 31.823 -0.311 0.000 1.042 242 V HN 1.027 nan 8.190 nan 0.000 0.433 243 H N 4.658 123.607 119.070 -0.203 0.000 2.723 243 H HA 0.376 4.930 4.556 -0.004 0.000 0.294 243 H C -1.523 173.672 175.328 -0.222 0.000 1.079 243 H CA -1.903 53.863 56.048 -0.470 0.000 1.411 243 H CB 2.102 31.053 29.762 -1.351 0.000 1.439 243 H HN 0.614 nan 8.280 nan 0.000 0.474 244 P HA -0.215 nan 4.420 nan 0.000 0.221 244 P C -0.061 177.285 177.300 0.078 0.000 1.141 244 P CA 1.273 64.452 63.100 0.131 0.000 0.794 244 P CB 0.337 32.109 31.700 0.119 0.000 0.764 245 E N -1.781 118.367 120.200 -0.086 0.000 2.499 245 E HA 0.127 4.475 4.350 -0.003 0.000 0.199 245 E C 0.301 176.925 176.600 0.041 0.000 1.016 245 E CA -0.275 56.061 56.400 -0.106 0.000 0.933 245 E CB -0.019 29.556 29.700 -0.209 0.000 1.050 245 E HN 0.462 nan 8.360 nan 0.000 0.462 246 Y N 1.246 121.444 120.300 -0.170 0.000 2.488 246 Y HA 0.249 4.798 4.550 -0.002 0.000 0.325 246 Y C 0.985 176.735 175.900 -0.250 0.000 1.204 246 Y CA -1.195 56.731 58.100 -0.290 0.000 1.229 246 Y CB 1.692 39.861 38.460 -0.485 0.000 1.274 246 Y HN -0.167 nan 8.280 nan 0.000 0.493 247 T N -1.056 113.390 114.554 -0.181 0.000 2.770 247 T HA 0.393 4.742 4.350 -0.003 0.000 0.297 247 T C -1.268 173.315 174.700 -0.196 0.000 0.997 247 T CA -0.623 61.415 62.100 -0.103 0.000 0.949 247 T CB -0.258 68.554 68.868 -0.093 0.000 0.941 247 T HN 0.319 nan 8.240 nan 0.000 0.457 248 Y N 2.249 122.654 120.300 0.175 0.000 2.385 248 Y HA 0.565 5.114 4.550 -0.002 0.000 0.341 248 Y C 0.704 176.739 175.900 0.225 0.000 0.965 248 Y CA -0.994 57.243 58.100 0.228 0.000 1.180 248 Y CB 0.915 39.536 38.460 0.270 0.000 1.139 248 Y HN 0.969 nan 8.280 nan 0.000 0.502 249 A N 2.548 125.542 122.820 0.291 0.000 2.331 249 A HA 0.749 5.067 4.320 -0.003 0.000 0.283 249 A C -0.044 177.701 177.584 0.268 0.000 1.142 249 A CA -0.570 51.512 52.037 0.074 0.000 0.812 249 A CB 0.222 19.061 19.000 -0.269 0.000 1.074 249 A HN 0.817 nan 8.150 nan 0.000 0.497 250 A N 2.652 125.558 122.820 0.143 0.000 2.415 250 A HA 0.587 4.905 4.320 -0.003 0.000 0.309 250 A C -0.668 177.005 177.584 0.150 0.000 1.356 250 A CA -0.317 51.885 52.037 0.275 0.000 0.998 250 A CB -0.722 18.457 19.000 0.299 0.000 1.145 250 A HN 0.560 nan 8.150 nan 0.000 0.545 251 F N 1.143 121.132 119.950 0.065 0.000 2.427 251 F HA 0.248 4.773 4.527 -0.004 0.000 0.352 251 F C 1.137 176.970 175.800 0.054 0.000 1.100 251 F CA -0.173 57.852 58.000 0.041 0.000 1.191 251 F CB 1.034 40.048 39.000 0.024 0.000 1.128 251 F HN 0.528 nan 8.300 nan 0.000 0.533 252 Q N 4.485 124.396 119.800 0.185 0.000 2.472 252 Q HA 0.324 4.663 4.340 -0.003 0.000 0.227 252 Q C -1.102 174.980 176.000 0.137 0.000 1.156 252 Q CA -0.330 55.551 55.803 0.130 0.000 0.924 252 Q CB 0.732 29.512 28.738 0.070 0.000 1.354 252 Q HN 0.642 nan 8.270 nan 0.000 0.525 253 V N 0.956 120.960 119.914 0.150 0.000 2.513 253 V HA 0.874 4.992 4.120 -0.003 0.000 0.299 253 V C 0.853 177.002 176.094 0.091 0.000 1.035 253 V CA 0.296 62.676 62.300 0.134 0.000 0.889 253 V CB 1.086 33.023 31.823 0.190 0.000 0.988 253 V HN 0.850 nan 8.190 nan 0.000 0.440 254 G N 4.509 113.344 108.800 0.058 0.000 2.665 254 G HA2 -0.348 3.610 3.960 -0.003 0.000 0.326 254 G HA3 -0.348 3.610 3.960 -0.003 0.000 0.326 254 G C 0.113 175.036 174.900 0.038 0.000 1.231 254 G CA 1.101 46.221 45.100 0.034 0.000 0.992 254 G HN 1.070 nan 8.290 nan 0.000 0.549 255 D N 2.017 122.439 120.400 0.037 0.000 2.593 255 D HA 0.470 5.108 4.640 -0.003 0.000 0.241 255 D C 0.451 176.779 176.300 0.047 0.000 1.257 255 D CA 0.686 54.708 54.000 0.036 0.000 0.828 255 D CB 0.449 41.264 40.800 0.025 0.000 1.049 255 D HN 0.895 nan 8.370 nan 0.000 0.490 256 E N -1.022 119.217 120.200 0.064 0.000 2.429 256 E HA 0.693 5.041 4.350 -0.003 0.000 0.280 256 E C -1.593 175.070 176.600 0.104 0.000 1.068 256 E CA -1.410 55.035 56.400 0.077 0.000 0.837 256 E CB 0.978 30.722 29.700 0.074 0.000 1.357 256 E HN -0.089 nan 8.360 nan 0.000 0.455 257 A N 1.778 124.666 122.820 0.114 0.000 2.301 257 A HA 0.620 4.938 4.320 -0.003 0.000 0.312 257 A C -0.686 176.995 177.584 0.162 0.000 1.182 257 A CA -0.757 51.370 52.037 0.149 0.000 0.826 257 A CB 0.438 19.528 19.000 0.149 0.000 1.134 257 A HN 0.517 nan 8.150 nan 0.000 0.501 258 L N 3.864 125.205 121.223 0.196 0.000 2.277 258 L HA 0.362 4.700 4.340 -0.003 0.000 0.284 258 L C -0.618 176.369 176.870 0.195 0.000 1.028 258 L CA -0.194 54.734 54.840 0.147 0.000 0.835 258 L CB 0.895 42.994 42.059 0.066 0.000 1.215 258 L HN 0.599 nan 8.230 nan 0.000 0.425 259 I N 6.136 126.809 120.570 0.171 0.000 2.416 259 I HA 0.356 4.524 4.170 -0.003 0.000 0.288 259 I C -0.260 175.959 176.117 0.170 0.000 1.051 259 I CA -0.278 61.159 61.300 0.228 0.000 1.375 259 I CB 0.626 38.722 38.000 0.161 0.000 1.407 259 I HN 0.487 nan 8.210 nan 0.000 0.516 260 L N 3.163 124.557 121.223 0.284 0.000 2.703 260 L HA 0.419 4.757 4.340 -0.003 0.000 0.257 260 L C -0.414 176.665 176.870 0.349 0.000 0.923 260 L CA -1.015 53.980 54.840 0.258 0.000 0.936 260 L CB 1.444 43.485 42.059 -0.030 0.000 1.482 260 L HN 0.361 nan 8.230 nan 0.000 0.432 261 E N 2.848 123.295 120.200 0.411 0.000 3.379 261 E HA -0.163 4.185 4.350 -0.003 0.000 0.257 261 E C 0.053 176.637 176.600 -0.027 0.000 0.882 261 E CA 0.855 57.195 56.400 -0.101 0.000 0.962 261 E CB 0.488 30.105 29.700 -0.139 0.000 0.900 261 E HN 0.813 nan 8.360 nan 0.000 0.560 262 E N 2.511 122.713 120.200 0.003 0.000 2.494 262 E HA -0.015 4.333 4.350 -0.003 0.000 0.262 262 E C 1.267 177.868 176.600 0.002 0.000 1.294 262 E CA 0.796 57.270 56.400 0.123 0.000 1.062 262 E CB 0.149 29.860 29.700 0.018 0.000 0.982 262 E HN 0.713 nan 8.360 nan 0.000 0.495 263 G N 1.044 109.870 108.800 0.044 0.000 2.934 263 G HA2 -0.371 3.587 3.960 -0.003 0.000 0.231 263 G HA3 -0.371 3.587 3.960 -0.003 0.000 0.231 263 G C 0.861 175.721 174.900 -0.066 0.000 1.235 263 G CA 0.772 45.853 45.100 -0.032 0.000 0.812 263 G HN 0.488 nan 8.290 nan 0.000 0.521 264 L N 2.020 123.179 121.223 -0.106 0.000 2.179 264 L HA 0.420 4.758 4.340 -0.003 0.000 0.208 264 L C 2.835 179.582 176.870 -0.205 0.000 1.096 264 L CA 2.818 57.566 54.840 -0.152 0.000 0.779 264 L CB -0.910 41.054 42.059 -0.158 0.000 0.922 264 L HN 0.430 nan 8.230 nan 0.000 0.443 265 G N -0.180 108.493 108.800 -0.211 0.000 2.421 265 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.217 265 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.217 265 G C 1.519 176.145 174.900 -0.458 0.000 1.143 265 G CA 0.544 45.312 45.100 -0.552 0.000 0.784 265 G HN 0.554 nan 8.290 nan 0.000 0.541 266 R N 0.262 120.763 120.500 0.001 0.000 2.313 266 R HA 0.312 4.650 4.340 -0.003 0.000 0.199 266 R C 1.856 178.146 176.300 -0.018 0.000 0.958 266 R CA 0.797 56.972 56.100 0.124 0.000 1.047 266 R CB -0.069 30.340 30.300 0.183 0.000 0.955 266 R HN 0.299 nan 8.270 nan 0.000 0.481 267 K N 0.268 120.607 120.400 -0.101 0.000 2.276 267 K HA 0.069 4.387 4.320 -0.003 0.000 0.198 267 K C 1.477 177.991 176.600 -0.144 0.000 1.052 267 K CA -0.006 56.218 56.287 -0.106 0.000 0.984 267 K CB 0.304 32.733 32.500 -0.119 0.000 0.836 267 K HN 0.132 nan 8.250 nan 0.000 0.490 268 L N 1.461 122.541 121.223 -0.237 0.000 2.022 268 L HA -0.021 4.317 4.340 -0.003 0.000 0.204 268 L C 2.247 179.001 176.870 -0.194 0.000 1.076 268 L CA 1.406 56.064 54.840 -0.304 0.000 0.749 268 L CB -0.999 40.735 42.059 -0.541 0.000 0.903 268 L HN 0.215 nan 8.230 nan 0.000 0.439 269 L N -0.887 120.215 121.223 -0.202 0.000 2.044 269 L HA 0.143 4.481 4.340 -0.003 0.000 0.205 269 L C 0.915 177.791 176.870 0.010 0.000 1.075 269 L CA 0.842 55.648 54.840 -0.056 0.000 0.747 269 L CB -0.672 41.362 42.059 -0.042 0.000 0.903 269 L HN 0.469 nan 8.230 nan 0.000 0.435 270 G N -0.098 108.711 108.800 0.016 0.000 2.453 270 G HA2 -0.072 3.886 3.960 -0.003 0.000 0.665 270 G HA3 -0.072 3.886 3.960 -0.003 0.000 0.665 270 G C -0.895 174.041 174.900 0.060 0.000 1.411 270 G CA -0.963 44.155 45.100 0.031 0.000 0.889 270 G HN 0.004 nan 8.290 nan 0.000 0.651 271 E N 0.685 120.905 120.200 0.034 0.000 1.833 271 E HA 0.427 4.775 4.350 -0.003 0.000 0.258 271 E C 1.035 177.649 176.600 0.024 0.000 1.257 271 E CA 0.934 57.351 56.400 0.028 0.000 1.003 271 E CB 0.337 30.042 29.700 0.008 0.000 1.068 271 E HN 1.946 nan 8.360 nan 0.000 0.422 272 G N 2.143 110.964 108.800 0.035 0.000 2.767 272 G HA2 -0.106 3.852 3.960 -0.003 0.000 0.228 272 G HA3 -0.106 3.852 3.960 -0.003 0.000 0.228 272 G C -0.118 174.805 174.900 0.039 0.000 1.271 272 G CA -0.693 44.420 45.100 0.023 0.000 1.029 272 G HN 0.232 nan 8.290 nan 0.000 0.543 273 T N 2.617 117.205 114.554 0.057 0.000 2.786 273 T HA 0.443 4.791 4.350 -0.003 0.000 0.283 273 T C 0.199 174.897 174.700 -0.004 0.000 0.992 273 T CA -0.672 61.480 62.100 0.087 0.000 0.954 273 T CB 1.618 70.639 68.868 0.255 0.000 0.934 273 T HN 0.437 nan 8.240 nan 0.000 0.440 274 Q N 2.541 122.336 119.800 -0.008 0.000 2.339 274 Q HA 0.062 4.400 4.340 -0.003 0.000 0.308 274 Q C -0.469 175.458 176.000 -0.121 0.000 1.097 274 Q CA 0.068 55.840 55.803 -0.052 0.000 1.007 274 Q CB -0.197 28.529 28.738 -0.020 0.000 1.051 274 Q HN 0.359 nan 8.270 nan 0.000 0.381 275 V N 5.979 125.770 119.914 -0.206 0.000 2.348 275 V HA 0.044 4.162 4.120 -0.003 0.000 0.270 275 V C 1.626 177.602 176.094 -0.197 0.000 1.037 275 V CA -0.328 61.777 62.300 -0.324 0.000 0.872 275 V CB 0.577 32.146 31.823 -0.423 0.000 1.002 275 V HN 0.758 nan 8.190 nan 0.000 0.464 276 L N 3.342 124.483 121.223 -0.138 0.000 2.005 276 L HA 0.044 4.382 4.340 -0.003 0.000 0.207 276 L C 1.089 177.889 176.870 -0.117 0.000 1.072 276 L CA 1.483 56.278 54.840 -0.076 0.000 0.744 276 L CB -0.349 41.710 42.059 -0.001 0.000 0.895 276 L HN 0.559 nan 8.230 nan 0.000 0.433 277 K N -1.371 118.924 120.400 -0.176 0.000 2.250 277 K HA 0.584 4.902 4.320 -0.003 0.000 0.261 277 K C -1.058 175.228 176.600 -0.524 0.000 1.047 277 K CA -0.689 55.385 56.287 -0.354 0.000 0.884 277 K CB 2.120 34.368 32.500 -0.420 0.000 1.476 277 K HN -0.245 nan 8.250 nan 0.000 0.445 278 T N 0.950 114.999 114.554 -0.841 0.000 3.041 278 T HA 0.588 4.936 4.350 -0.003 0.000 0.321 278 T C -1.680 172.511 174.700 -0.849 0.000 1.184 278 T CA -0.710 61.003 62.100 -0.644 0.000 1.050 278 T CB 0.557 69.239 68.868 -0.310 0.000 1.159 278 T HN 0.342 nan 8.240 nan 0.000 0.469 279 F N 2.840 122.851 119.950 0.103 0.000 2.576 279 F HA 0.634 5.159 4.527 -0.003 0.000 0.313 279 F C -2.421 173.485 175.800 0.176 0.000 1.078 279 F CA -2.478 55.596 58.000 0.123 0.000 0.921 279 F CB 1.968 41.049 39.000 0.134 0.000 1.232 279 F HN 0.199 nan 8.300 nan 0.000 0.459 280 P HA 0.192 nan 4.420 nan 0.000 0.290 280 P C 0.484 177.972 177.300 0.313 0.000 1.276 280 P CA -0.126 63.123 63.100 0.248 0.000 0.808 280 P CB 1.729 33.518 31.700 0.148 0.000 0.966 281 G N 4.249 113.279 108.800 0.384 0.000 2.766 281 G HA2 -0.378 3.580 3.960 -0.003 0.000 0.222 281 G HA3 -0.378 3.580 3.960 -0.003 0.000 0.222 281 G C 1.464 176.463 174.900 0.165 0.000 1.225 281 G CA 1.804 47.118 45.100 0.356 0.000 0.784 281 G HN 0.540 nan 8.290 nan 0.000 0.631 282 K N 1.409 121.888 120.400 0.131 0.000 2.242 282 K HA -0.081 4.237 4.320 -0.003 0.000 0.206 282 K C 2.488 179.134 176.600 0.076 0.000 1.045 282 K CA 1.936 58.277 56.287 0.090 0.000 0.930 282 K CB -0.734 31.812 32.500 0.077 0.000 0.726 282 K HN 0.351 nan 8.250 nan 0.000 0.462 283 A N -0.168 122.713 122.820 0.101 0.000 1.930 283 A HA -0.020 4.298 4.320 -0.003 0.000 0.217 283 A C 1.703 179.291 177.584 0.006 0.000 1.175 283 A CA 1.406 53.492 52.037 0.081 0.000 0.627 283 A CB -0.326 18.775 19.000 0.167 0.000 0.815 283 A HN 0.278 nan 8.150 nan 0.000 0.443 284 L N 0.169 121.382 121.223 -0.018 0.000 2.591 284 L HA 0.188 4.527 4.340 -0.003 0.000 0.228 284 L C 0.954 177.804 176.870 -0.034 0.000 1.133 284 L CA 0.143 54.934 54.840 -0.082 0.000 0.880 284 L CB -0.647 41.321 42.059 -0.153 0.000 1.033 284 L HN 0.452 nan 8.230 nan 0.000 0.450 285 E N 0.420 120.620 120.200 0.000 0.000 2.438 285 E HA 0.148 4.496 4.350 -0.003 0.000 0.261 285 E C 1.435 178.021 176.600 -0.024 0.000 1.103 285 E CA 0.739 57.155 56.400 0.027 0.000 0.959 285 E CB 0.280 30.017 29.700 0.061 0.000 0.958 285 E HN 0.273 nan 8.360 nan 0.000 0.447 286 G N 3.083 111.835 108.800 -0.079 0.000 2.216 286 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.269 286 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.269 286 G C 0.294 175.114 174.900 -0.133 0.000 0.981 286 G CA 0.512 45.413 45.100 -0.333 0.000 0.658 286 G HN 0.480 nan 8.290 nan 0.000 0.539 287 L N 2.762 123.991 121.223 0.010 0.000 2.456 287 L HA 0.318 4.656 4.340 -0.003 0.000 0.277 287 L C -1.342 175.615 176.870 0.146 0.000 1.124 287 L CA -1.016 53.849 54.840 0.043 0.000 0.880 287 L CB 0.183 42.245 42.059 0.006 0.000 1.192 287 L HN 0.053 nan 8.230 nan 0.000 0.463 288 P HA 0.158 nan 4.420 nan 0.000 0.269 288 P C -1.486 175.886 177.300 0.120 0.000 1.215 288 P CA 0.328 63.473 63.100 0.075 0.000 0.780 288 P CB 0.807 32.526 31.700 0.031 0.000 0.898 289 Y N -1.884 118.474 120.300 0.097 0.000 2.744 289 Y HA 0.692 5.241 4.550 -0.002 0.000 0.330 289 Y C -1.206 174.677 175.900 -0.029 0.000 1.263 289 Y CA -1.237 56.897 58.100 0.057 0.000 1.065 289 Y CB 0.190 38.728 38.460 0.130 0.000 1.306 289 Y HN 0.190 nan 8.280 nan 0.000 0.459 290 T N 4.164 118.886 114.554 0.279 0.000 2.809 290 T HA 0.488 4.836 4.350 -0.003 0.000 0.284 290 T C -2.957 171.662 174.700 -0.135 0.000 0.992 290 T CA -1.435 60.641 62.100 -0.041 0.000 0.957 290 T CB 1.564 70.366 68.868 -0.111 0.000 0.942 290 T HN 0.492 nan 8.240 nan 0.000 0.439 291 P HA 0.298 nan 4.420 nan 0.000 0.282 291 P C -2.100 174.889 177.300 -0.518 0.000 1.249 291 P CA -1.708 61.115 63.100 -0.462 0.000 0.806 291 P CB 1.342 32.866 31.700 -0.294 0.000 0.984 292 P HA -0.096 nan 4.420 nan 0.000 0.218 292 P C -0.125 176.637 177.300 -0.896 0.000 1.149 292 P CA 1.563 64.207 63.100 -0.760 0.000 0.817 292 P CB -0.014 31.182 31.700 -0.840 0.000 0.785 293 Y N 0.694 120.951 120.300 -0.072 0.000 2.495 293 Y HA 0.339 4.887 4.550 -0.003 0.000 0.362 293 Y C -2.063 173.857 175.900 0.035 0.000 0.956 293 Y CA -2.859 55.252 58.100 0.018 0.000 1.127 293 Y CB 0.176 38.685 38.460 0.081 0.000 1.173 293 Y HN -0.011 nan 8.280 nan 0.000 0.639 294 P HA -0.090 nan 4.420 nan 0.000 0.261 294 P C -0.346 177.043 177.300 0.148 0.000 1.173 294 P CA 0.602 63.693 63.100 -0.016 0.000 0.760 294 P CB 1.200 32.780 31.700 -0.199 0.000 0.783 295 Q N 1.843 121.810 119.800 0.278 0.000 2.427 295 Q HA 0.501 4.839 4.340 -0.003 0.000 0.232 295 Q C 0.598 176.709 176.000 0.185 0.000 1.018 295 Q CA -0.938 54.989 55.803 0.208 0.000 0.965 295 Q CB 0.779 29.634 28.738 0.194 0.000 1.232 295 Q HN 0.487 nan 8.270 nan 0.000 0.510 296 A N 0.866 123.759 122.820 0.121 0.000 2.543 296 A HA 0.219 4.537 4.320 -0.003 0.000 0.258 296 A C 0.347 177.978 177.584 0.077 0.000 1.391 296 A CA -0.088 52.005 52.037 0.092 0.000 1.066 296 A CB -1.082 17.956 19.000 0.063 0.000 0.972 296 A HN 0.502 nan 8.150 nan 0.000 0.560 297 L N 0.854 122.136 121.223 0.097 0.000 2.559 297 L HA -0.014 4.324 4.340 -0.003 0.000 0.282 297 L C 1.586 178.470 176.870 0.024 0.000 1.232 297 L CA -0.315 54.532 54.840 0.011 0.000 0.885 297 L CB 0.588 42.570 42.059 -0.128 0.000 1.131 297 L HN 0.611 nan 8.230 nan 0.000 0.498 298 E N 2.958 123.158 120.200 -0.001 0.000 2.489 298 E HA 0.016 4.364 4.350 -0.003 0.000 0.193 298 E C 0.080 176.691 176.600 0.017 0.000 1.057 298 E CA 0.261 56.669 56.400 0.013 0.000 0.866 298 E CB 0.382 30.086 29.700 0.007 0.000 0.916 298 E HN 0.412 nan 8.360 nan 0.000 0.500 299 K N -0.197 120.201 120.400 -0.004 0.000 2.633 299 K HA 0.339 4.657 4.320 -0.003 0.000 0.268 299 K C -1.288 175.279 176.600 -0.055 0.000 1.005 299 K CA 0.627 56.929 56.287 0.026 0.000 0.976 299 K CB 1.072 33.606 32.500 0.057 0.000 1.372 299 K HN 0.232 nan 8.250 nan 0.000 0.420 300 G N 3.501 112.288 108.800 -0.022 0.000 3.233 300 G HA2 -0.049 3.909 3.960 -0.003 0.000 0.686 300 G HA3 -0.049 3.909 3.960 -0.003 0.000 0.686 300 G C -0.913 173.647 174.900 -0.567 0.000 1.153 300 G CA -0.156 44.707 45.100 -0.395 0.000 0.853 300 G HN 0.676 nan 8.290 nan 0.000 0.582 301 Y N 0.225 120.171 120.300 -0.590 0.000 3.424 301 Y HA 0.140 4.688 4.550 -0.003 0.000 0.345 301 Y C 0.828 176.110 175.900 -1.031 0.000 0.984 301 Y CA -0.497 57.200 58.100 -0.672 0.000 1.214 301 Y CB -0.555 37.615 38.460 -0.483 0.000 1.320 301 Y HN 0.931 nan 8.280 nan 0.000 0.537 302 F N -1.330 118.449 119.950 -0.285 0.000 2.461 302 F HA 0.832 5.357 4.527 -0.003 0.000 0.332 302 F C -0.001 175.858 175.800 0.098 0.000 1.073 302 F CA -1.549 56.368 58.000 -0.138 0.000 1.017 302 F CB 0.035 38.981 39.000 -0.091 0.000 1.301 302 F HN -0.340 nan 8.300 nan 0.000 0.492 303 V N 1.890 122.087 119.914 0.471 0.000 2.686 303 V HA 0.401 4.519 4.120 -0.003 0.000 0.295 303 V C 0.083 176.314 176.094 0.229 0.000 1.055 303 V CA -0.492 61.967 62.300 0.265 0.000 1.050 303 V CB 1.057 32.955 31.823 0.125 0.000 0.984 303 V HN 0.698 nan 8.190 nan 0.000 0.482 304 V N 4.806 124.718 119.914 -0.003 0.000 3.074 304 V HA 0.551 4.669 4.120 -0.003 0.000 0.314 304 V C -0.465 175.596 176.094 -0.054 0.000 1.117 304 V CA -0.759 61.435 62.300 -0.176 0.000 1.014 304 V CB 2.370 33.863 31.823 -0.550 0.000 1.057 304 V HN 0.656 nan 8.190 nan 0.000 0.438 305 L N 2.605 123.897 121.223 0.114 0.000 2.317 305 L HA 0.909 5.248 4.340 -0.003 0.000 0.281 305 L C -0.252 176.649 176.870 0.052 0.000 1.024 305 L CA -0.374 54.524 54.840 0.096 0.000 0.810 305 L CB 1.771 43.924 42.059 0.157 0.000 1.240 305 L HN 0.760 nan 8.230 nan 0.000 0.427 306 A N 1.536 124.267 122.820 -0.149 0.000 2.500 306 A HA 0.300 4.618 4.320 -0.003 0.000 0.291 306 A C -0.509 176.749 177.584 -0.544 0.000 1.048 306 A CA -0.705 51.150 52.037 -0.304 0.000 0.791 306 A CB 0.869 19.572 19.000 -0.495 0.000 1.309 306 A HN 0.799 nan 8.150 nan 0.000 0.397 307 D N 1.322 121.452 120.400 -0.450 0.000 2.504 307 D HA -0.010 4.628 4.640 -0.003 0.000 0.243 307 D C 0.311 176.294 176.300 -0.528 0.000 1.203 307 D CA 0.572 54.117 54.000 -0.758 0.000 0.847 307 D CB -0.476 40.020 40.800 -0.506 0.000 0.973 307 D HN 0.763 nan 8.370 nan 0.000 0.490 308 Y N -1.436 118.696 120.300 -0.280 0.000 2.453 308 Y HA 0.235 4.783 4.550 -0.004 0.000 0.247 308 Y C 0.915 176.778 175.900 -0.062 0.000 1.124 308 Y CA -1.007 57.011 58.100 -0.137 0.000 1.243 308 Y CB -0.396 38.015 38.460 -0.081 0.000 1.213 308 Y HN -0.085 nan 8.280 nan 0.000 0.523 309 V N 0.581 120.316 119.914 -0.299 0.000 2.540 309 V HA 0.167 4.285 4.120 -0.003 0.000 0.297 309 V C 0.936 177.120 176.094 0.150 0.000 1.024 309 V CA -0.113 62.160 62.300 -0.046 0.000 1.105 309 V CB 0.803 32.566 31.823 -0.100 0.000 0.938 309 V HN 0.464 nan 8.190 nan 0.000 0.482 310 S N 3.019 118.834 115.700 0.192 0.000 2.688 310 S HA 0.086 4.554 4.470 -0.003 0.000 0.248 310 S C 0.855 175.611 174.600 0.261 0.000 1.361 310 S CA 1.100 59.417 58.200 0.196 0.000 0.979 310 S CB 0.388 63.661 63.200 0.121 0.000 0.947 310 S HN 1.116 nan 8.310 nan 0.000 0.545 311 Q N -1.760 118.106 119.800 0.110 0.000 1.690 311 Q HA 0.151 4.489 4.340 -0.003 0.000 0.161 311 Q C 0.058 176.005 176.000 -0.088 0.000 0.764 311 Q CA -0.169 55.624 55.803 -0.017 0.000 0.793 311 Q CB 0.095 28.733 28.738 -0.168 0.000 1.217 311 Q HN 0.614 nan 8.270 nan 0.000 0.372 312 E N 0.200 120.366 120.200 -0.057 0.000 2.541 312 E HA 0.154 4.502 4.350 -0.003 0.000 0.219 312 E C -0.903 175.622 176.600 -0.125 0.000 0.922 312 E CA 0.593 56.944 56.400 -0.080 0.000 1.095 312 E CB 0.834 30.509 29.700 -0.041 0.000 1.112 312 E HN 0.245 nan 8.360 nan 0.000 0.516 313 D N -1.329 118.979 120.400 -0.152 0.000 2.575 313 D HA 0.556 5.194 4.640 -0.003 0.000 0.236 313 D C 0.363 176.367 176.300 -0.493 0.000 1.075 313 D CA 0.550 54.359 54.000 -0.319 0.000 0.860 313 D CB 1.792 42.464 40.800 -0.213 0.000 1.475 313 D HN 0.144 nan 8.370 nan 0.000 0.474 314 G N 0.693 108.892 108.800 -1.002 0.000 2.514 314 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.265 314 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.265 314 G C 0.899 175.604 174.900 -0.325 0.000 1.150 314 G CA 1.094 45.534 45.100 -1.101 0.000 0.959 314 G HN 0.850 nan 8.290 nan 0.000 0.556 315 T N -3.398 111.089 114.554 -0.111 0.000 3.075 315 T HA 0.542 4.890 4.350 -0.003 0.000 0.251 315 T C 2.272 176.995 174.700 0.037 0.000 0.979 315 T CA 1.845 63.919 62.100 -0.042 0.000 1.033 315 T CB 1.068 69.946 68.868 0.015 0.000 1.104 315 T HN 2.718 nan 8.240 nan 0.000 0.473 316 G N 1.390 110.260 108.800 0.116 0.000 2.705 316 G HA2 0.019 3.977 3.960 -0.003 0.000 0.193 316 G HA3 0.019 3.977 3.960 -0.003 0.000 0.193 316 G C -0.141 174.933 174.900 0.290 0.000 1.015 316 G CA -0.291 44.977 45.100 0.280 0.000 0.743 316 G HN 0.591 nan 8.290 nan 0.000 0.476 317 I N 1.984 122.641 120.570 0.144 0.000 2.359 317 I HA 0.611 4.779 4.170 -0.003 0.000 0.294 317 I C -0.084 176.013 176.117 -0.034 0.000 0.987 317 I CA -1.166 60.124 61.300 -0.017 0.000 1.225 317 I CB 1.968 39.888 38.000 -0.132 0.000 1.366 317 I HN -0.115 nan 8.210 nan 0.000 0.466 318 V N 4.677 124.551 119.914 -0.066 0.000 2.555 318 V HA 0.194 4.312 4.120 -0.003 0.000 0.302 318 V C -0.274 175.761 176.094 -0.100 0.000 1.038 318 V CA -0.768 61.510 62.300 -0.036 0.000 0.887 318 V CB 1.663 33.500 31.823 0.024 0.000 0.991 318 V HN 0.693 nan 8.190 nan 0.000 0.434 319 H N 4.002 122.955 119.070 -0.195 0.000 2.848 319 H HA 0.346 4.900 4.556 -0.003 0.000 0.317 319 H C -0.241 175.047 175.328 -0.068 0.000 1.046 319 H CA 0.172 56.099 56.048 -0.201 0.000 1.470 319 H CB 0.786 30.418 29.762 -0.217 0.000 1.483 319 H HN 0.590 nan 8.280 nan 0.000 0.548 320 Q N 3.971 123.587 119.800 -0.308 0.000 2.431 320 Q HA 0.534 4.872 4.340 -0.003 0.000 0.249 320 Q C -1.244 174.574 176.000 -0.303 0.000 1.025 320 Q CA -0.436 55.194 55.803 -0.288 0.000 0.835 320 Q CB 0.951 29.614 28.738 -0.125 0.000 1.207 320 Q HN 0.781 nan 8.270 nan 0.000 0.490 321 A N 5.384 127.981 122.820 -0.371 0.000 2.394 321 A HA 0.461 4.779 4.320 -0.003 0.000 0.333 321 A C -1.923 175.609 177.584 -0.086 0.000 1.397 321 A CA -1.355 50.616 52.037 -0.110 0.000 0.884 321 A CB 0.489 19.522 19.000 0.056 0.000 1.147 321 A HN 0.626 nan 8.150 nan 0.000 0.505 322 P HA -0.081 nan 4.420 nan 0.000 0.236 322 P C 0.692 177.846 177.300 -0.242 0.000 1.172 322 P CA 1.471 64.481 63.100 -0.149 0.000 0.759 322 P CB 0.292 31.912 31.700 -0.134 0.000 0.843 323 A N -1.662 120.910 122.820 -0.414 0.000 2.571 323 A HA 0.428 4.747 4.320 -0.003 0.000 0.274 323 A C 0.452 177.368 177.584 -1.114 0.000 1.196 323 A CA -0.304 51.266 52.037 -0.779 0.000 0.957 323 A CB -0.272 18.140 19.000 -0.980 0.000 1.150 323 A HN 0.092 nan 8.150 nan 0.000 0.539 324 F N -1.094 118.853 119.950 -0.005 0.000 2.856 324 F HA 0.478 5.003 4.527 -0.004 0.000 0.333 324 F C 0.717 176.541 175.800 0.041 0.000 1.200 324 F CA -0.089 57.950 58.000 0.065 0.000 1.128 324 F CB 1.223 40.201 39.000 -0.038 0.000 1.172 324 F HN 0.215 nan 8.300 nan 0.000 0.511 325 G N -0.103 108.732 108.800 0.060 0.000 2.768 325 G HA2 0.515 4.473 3.960 -0.003 0.000 0.297 325 G HA3 0.515 4.473 3.960 -0.003 0.000 0.297 325 G C 0.103 174.954 174.900 -0.082 0.000 1.430 325 G CA -0.044 45.042 45.100 -0.022 0.000 1.030 325 G HN 0.104 nan 8.290 nan 0.000 0.553 326 A N 1.530 124.273 122.820 -0.129 0.000 1.873 326 A HA 0.069 4.388 4.320 -0.003 0.000 0.215 326 A C 1.947 179.435 177.584 -0.159 0.000 1.186 326 A CA 2.219 54.180 52.037 -0.127 0.000 0.616 326 A CB -0.399 18.515 19.000 -0.143 0.000 0.823 326 A HN 0.679 nan 8.150 nan 0.000 0.442 327 E N 0.440 120.491 120.200 -0.248 0.000 2.058 327 E HA -0.190 4.158 4.350 -0.003 0.000 0.194 327 E C 1.546 178.055 176.600 -0.152 0.000 0.997 327 E CA 1.535 57.725 56.400 -0.350 0.000 0.801 327 E CB -0.338 28.863 29.700 -0.831 0.000 0.746 327 E HN 0.619 nan 8.360 nan 0.000 0.450 328 D N 0.420 120.759 120.400 -0.101 0.000 2.190 328 D HA -0.180 4.459 4.640 -0.003 0.000 0.200 328 D C 1.735 178.007 176.300 -0.047 0.000 0.992 328 D CA 0.751 54.728 54.000 -0.037 0.000 0.854 328 D CB -0.074 40.678 40.800 -0.081 0.000 0.936 328 D HN 0.106 nan 8.370 nan 0.000 0.462 329 L N 0.228 121.407 121.223 -0.072 0.000 2.131 329 L HA -0.085 4.253 4.340 -0.003 0.000 0.206 329 L C 2.249 179.094 176.870 -0.042 0.000 1.087 329 L CA 1.059 55.857 54.840 -0.070 0.000 0.767 329 L CB -0.058 41.952 42.059 -0.082 0.000 0.917 329 L HN 0.050 nan 8.230 nan 0.000 0.441 330 E N -0.600 119.577 120.200 -0.039 0.000 2.031 330 E HA -0.227 4.121 4.350 -0.003 0.000 0.193 330 E C 1.845 178.467 176.600 0.036 0.000 0.994 330 E CA 2.076 58.465 56.400 -0.017 0.000 0.800 330 E CB 0.086 29.767 29.700 -0.031 0.000 0.752 330 E HN 0.430 nan 8.360 nan 0.000 0.447 331 T N 0.857 115.462 114.554 0.086 0.000 2.699 331 T HA -0.205 4.144 4.350 -0.003 0.000 0.268 331 T C 1.898 176.694 174.700 0.160 0.000 1.036 331 T CA 1.412 63.614 62.100 0.169 0.000 1.147 331 T CB -0.392 68.582 68.868 0.176 0.000 0.862 331 T HN 0.319 nan 8.240 nan 0.000 0.446 332 A N 1.435 124.289 122.820 0.057 0.000 2.024 332 A HA -0.127 4.191 4.320 -0.003 0.000 0.220 332 A C 2.293 179.902 177.584 0.041 0.000 1.164 332 A CA 1.673 53.722 52.037 0.020 0.000 0.643 332 A CB -0.468 18.503 19.000 -0.047 0.000 0.806 332 A HN 0.230 nan 8.150 nan 0.000 0.451 333 R N -0.255 120.264 120.500 0.030 0.000 2.127 333 R HA 0.043 4.381 4.340 -0.003 0.000 0.217 333 R C 1.812 178.125 176.300 0.023 0.000 1.074 333 R CA 1.505 57.611 56.100 0.010 0.000 0.991 333 R CB -1.189 29.100 30.300 -0.017 0.000 0.895 333 R HN 0.277 nan 8.270 nan 0.000 0.450 334 V N 0.175 120.116 119.914 0.044 0.000 2.214 334 V HA -0.271 3.848 4.120 -0.003 0.000 0.244 334 V C 1.615 177.687 176.094 -0.038 0.000 1.045 334 V CA 2.040 64.317 62.300 -0.039 0.000 0.993 334 V CB -0.731 31.034 31.823 -0.097 0.000 0.633 334 V HN 0.256 nan 8.190 nan 0.000 0.449 335 Y N 1.189 121.513 120.300 0.040 0.000 2.680 335 Y HA 0.288 4.835 4.550 -0.004 0.000 0.303 335 Y C 1.832 177.770 175.900 0.063 0.000 1.166 335 Y CA 0.560 58.710 58.100 0.084 0.000 1.344 335 Y CB -1.022 37.550 38.460 0.186 0.000 1.002 335 Y HN 0.461 nan 8.280 nan 0.000 0.537 336 G N 0.777 109.664 108.800 0.145 0.000 2.273 336 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.280 336 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.280 336 G C -0.014 174.918 174.900 0.053 0.000 1.047 336 G CA 0.078 45.221 45.100 0.071 0.000 0.869 336 G HN 0.334 nan 8.290 nan 0.000 0.502 337 L N -0.486 120.759 121.223 0.036 0.000 2.466 337 L HA 0.467 4.805 4.340 -0.003 0.000 0.257 337 L C -1.443 175.382 176.870 -0.075 0.000 1.189 337 L CA -2.098 52.714 54.840 -0.046 0.000 0.813 337 L CB 0.322 42.311 42.059 -0.118 0.000 1.118 337 L HN -0.030 nan 8.230 nan 0.000 0.471 338 P HA 0.193 nan 4.420 nan 0.000 0.277 338 P C -1.033 176.195 177.300 -0.120 0.000 1.240 338 P CA -0.529 62.508 63.100 -0.105 0.000 0.798 338 P CB 0.778 32.415 31.700 -0.105 0.000 0.979 339 L N 3.249 124.399 121.223 -0.122 0.000 2.272 339 L HA 0.319 4.658 4.340 -0.003 0.000 0.284 339 L C -1.050 175.746 176.870 -0.124 0.000 1.045 339 L CA -0.111 54.640 54.840 -0.148 0.000 0.842 339 L CB -0.492 41.452 42.059 -0.191 0.000 1.224 339 L HN 0.237 nan 8.230 nan 0.000 0.430 340 L N 6.052 127.218 121.223 -0.094 0.000 2.295 340 L HA 0.325 4.663 4.340 -0.003 0.000 0.288 340 L C 0.306 177.171 176.870 -0.008 0.000 1.079 340 L CA -0.240 54.588 54.840 -0.019 0.000 0.830 340 L CB 0.228 42.314 42.059 0.046 0.000 1.200 340 L HN 0.470 nan 8.230 nan 0.000 0.438 341 K N 2.693 123.090 120.400 -0.004 0.000 2.229 341 K HA 0.141 4.459 4.320 -0.003 0.000 0.247 341 K C 0.888 177.602 176.600 0.190 0.000 1.117 341 K CA -0.109 56.196 56.287 0.030 0.000 1.036 341 K CB 0.591 33.072 32.500 -0.031 0.000 1.654 341 K HN 0.547 nan 8.250 nan 0.000 0.405 342 T N -2.241 112.519 114.554 0.343 0.000 3.278 342 T HA 0.192 4.540 4.350 -0.003 0.000 0.251 342 T C 0.338 175.243 174.700 0.340 0.000 1.039 342 T CA -0.316 61.969 62.100 0.309 0.000 0.935 342 T CB -0.107 68.929 68.868 0.280 0.000 1.034 342 T HN 0.021 nan 8.240 nan 0.000 0.575 343 V N 2.703 122.876 119.914 0.432 0.000 2.711 343 V HA 0.371 4.489 4.120 -0.003 0.000 0.304 343 V C -0.896 175.386 176.094 0.314 0.000 1.097 343 V CA -1.325 61.188 62.300 0.355 0.000 0.906 343 V CB 2.183 34.255 31.823 0.416 0.000 1.015 343 V HN 0.620 nan 8.190 nan 0.000 0.427 344 D N 2.738 123.239 120.400 0.169 0.000 2.377 344 D HA 0.100 4.739 4.640 -0.003 0.000 0.245 344 D C 0.782 177.082 176.300 -0.000 0.000 1.196 344 D CA -0.424 53.654 54.000 0.131 0.000 0.962 344 D CB 0.844 41.707 40.800 0.106 0.000 1.127 344 D HN 0.599 nan 8.370 nan 0.000 0.471 345 E N -0.830 119.390 120.200 0.033 0.000 2.501 345 E HA -0.156 4.192 4.350 -0.003 0.000 0.203 345 E C 0.773 177.412 176.600 0.065 0.000 1.072 345 E CA 0.701 57.086 56.400 -0.025 0.000 0.885 345 E CB 0.018 29.811 29.700 0.154 0.000 0.813 345 E HN 0.534 nan 8.360 nan 0.000 0.556 346 E N -1.014 119.220 120.200 0.056 0.000 2.473 346 E HA 0.094 4.442 4.350 -0.003 0.000 0.204 346 E C 0.913 177.620 176.600 0.178 0.000 0.994 346 E CA 0.284 56.759 56.400 0.126 0.000 0.945 346 E CB 1.026 30.793 29.700 0.111 0.000 0.990 346 E HN 0.288 nan 8.360 nan 0.000 0.493 347 G N 2.187 111.014 108.800 0.045 0.000 2.134 347 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.209 347 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.209 347 G C -0.106 174.861 174.900 0.111 0.000 0.993 347 G CA -0.234 44.887 45.100 0.035 0.000 0.669 347 G HN 0.054 nan 8.290 nan 0.000 0.519 348 K N 0.434 120.899 120.400 0.108 0.000 2.159 348 K HA 0.648 4.966 4.320 -0.003 0.000 0.266 348 K C 0.740 177.398 176.600 0.097 0.000 0.975 348 K CA -0.795 55.560 56.287 0.114 0.000 0.865 348 K CB 1.552 34.127 32.500 0.124 0.000 1.087 348 K HN 0.191 nan 8.250 nan 0.000 0.446 349 L N 4.002 125.284 121.223 0.099 0.000 2.397 349 L HA 0.160 4.498 4.340 -0.003 0.000 0.271 349 L C 0.375 177.320 176.870 0.126 0.000 1.148 349 L CA -0.616 54.297 54.840 0.121 0.000 0.825 349 L CB 0.069 42.191 42.059 0.106 0.000 1.117 349 L HN 0.523 nan 8.230 nan 0.000 0.456 350 L N 1.957 123.261 121.223 0.135 0.000 3.062 350 L HA 0.381 4.719 4.340 -0.003 0.000 0.255 350 L C -0.048 176.892 176.870 0.118 0.000 1.274 350 L CA -0.147 54.764 54.840 0.118 0.000 1.047 350 L CB -0.058 42.069 42.059 0.114 0.000 1.402 350 L HN 0.198 nan 8.230 nan 0.000 0.550 351 V N 0.917 120.911 119.914 0.132 0.000 2.318 351 V HA 0.212 4.330 4.120 -0.003 0.000 0.271 351 V C 1.550 177.730 176.094 0.144 0.000 1.030 351 V CA -0.211 62.172 62.300 0.138 0.000 0.844 351 V CB 1.129 33.031 31.823 0.131 0.000 1.015 351 V HN 0.474 nan 8.190 nan 0.000 0.460 352 E N 7.033 127.292 120.200 0.099 0.000 2.598 352 E HA -0.280 4.068 4.350 -0.003 0.000 0.250 352 E C -0.521 176.068 176.600 -0.018 0.000 1.037 352 E CA 3.134 59.564 56.400 0.051 0.000 1.274 352 E CB -0.826 28.903 29.700 0.047 0.000 1.177 352 E HN 0.646 nan 8.360 nan 0.000 0.490 353 P HA -0.108 nan 4.420 nan 0.000 0.222 353 P C 0.380 177.277 177.300 -0.672 0.000 1.147 353 P CA 1.369 64.219 63.100 -0.418 0.000 0.790 353 P CB -0.034 31.328 31.700 -0.563 0.000 0.780 354 F N -0.745 119.178 119.950 -0.046 0.000 2.775 354 F HA 0.334 4.859 4.527 -0.003 0.000 0.313 354 F C 0.900 176.693 175.800 -0.011 0.000 1.121 354 F CA -1.255 56.721 58.000 -0.039 0.000 1.206 354 F CB -0.311 38.642 39.000 -0.079 0.000 1.052 354 F HN -0.289 nan 8.300 nan 0.000 0.524 355 K N 1.581 122.057 120.400 0.126 0.000 2.367 355 K HA 0.324 4.642 4.320 -0.003 0.000 0.275 355 K C 1.209 177.858 176.600 0.082 0.000 1.125 355 K CA 1.349 57.696 56.287 0.099 0.000 1.133 355 K CB -0.479 32.061 32.500 0.066 0.000 0.875 355 K HN 0.533 nan 8.250 nan 0.000 0.467 356 G N 3.357 112.213 108.800 0.093 0.000 2.284 356 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.201 356 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.201 356 G C -0.319 174.633 174.900 0.087 0.000 0.998 356 G CA -0.328 44.819 45.100 0.078 0.000 0.651 356 G HN 0.419 nan 8.290 nan 0.000 0.489 357 L N 1.213 122.497 121.223 0.102 0.000 2.397 357 L HA 0.424 4.762 4.340 -0.003 0.000 0.271 357 L C 0.826 177.756 176.870 0.101 0.000 1.148 357 L CA -0.784 54.114 54.840 0.098 0.000 0.825 357 L CB -0.044 42.079 42.059 0.106 0.000 1.117 357 L HN 0.266 nan 8.230 nan 0.000 0.456 358 Y N 3.267 123.526 120.300 -0.068 0.000 2.526 358 Y HA -0.054 4.494 4.550 -0.003 0.000 0.330 358 Y C 1.277 177.025 175.900 -0.253 0.000 1.156 358 Y CA -0.383 57.634 58.100 -0.138 0.000 1.419 358 Y CB 0.455 38.793 38.460 -0.203 0.000 1.250 358 Y HN 0.503 nan 8.280 nan 0.000 0.540 359 F N 3.633 123.186 119.950 -0.660 0.000 2.176 359 F HA -0.292 4.232 4.527 -0.004 0.000 0.301 359 F C 1.782 177.148 175.800 -0.722 0.000 1.071 359 F CA 1.564 59.082 58.000 -0.804 0.000 1.289 359 F CB -0.400 37.729 39.000 -1.452 0.000 1.028 359 F HN 0.446 nan 8.300 nan 0.000 0.494 360 R N 0.822 120.225 120.500 -1.829 0.000 2.096 360 R HA -0.128 4.211 4.340 -0.003 0.000 0.235 360 R C 2.026 178.106 176.300 -0.368 0.000 1.127 360 R CA 1.934 57.419 56.100 -1.026 0.000 0.968 360 R CB -0.567 29.231 30.300 -0.836 0.000 0.861 360 R HN 0.542 nan 8.270 nan 0.000 0.440 361 E N -0.468 119.591 120.200 -0.236 0.000 2.276 361 E HA 0.089 4.437 4.350 -0.003 0.000 0.193 361 E C 1.788 178.369 176.600 -0.032 0.000 0.983 361 E CA 0.493 56.847 56.400 -0.075 0.000 0.861 361 E CB 0.060 29.753 29.700 -0.012 0.000 0.817 361 E HN 0.243 nan 8.360 nan 0.000 0.485 362 A N 1.684 124.476 122.820 -0.046 0.000 2.042 362 A HA -0.302 4.016 4.320 -0.003 0.000 0.222 362 A C 1.712 179.269 177.584 -0.045 0.000 1.167 362 A CA 1.573 53.601 52.037 -0.015 0.000 0.649 362 A CB -0.588 18.375 19.000 -0.062 0.000 0.809 362 A HN 0.161 nan 8.150 nan 0.000 0.457 363 N N 0.354 119.042 118.700 -0.020 0.000 2.011 363 N HA -0.252 4.486 4.740 -0.003 0.000 0.199 363 N C 1.866 177.381 175.510 0.008 0.000 1.047 363 N CA 2.200 55.251 53.050 0.000 0.000 0.863 363 N CB -0.568 37.931 38.487 0.021 0.000 1.056 363 N HN 0.805 nan 8.380 nan 0.000 0.427 364 R N 0.569 121.084 120.500 0.024 0.000 2.105 364 R HA 0.028 4.366 4.340 -0.003 0.000 0.239 364 R C 2.060 178.413 176.300 0.088 0.000 1.135 364 R CA 1.767 57.895 56.100 0.047 0.000 0.967 364 R CB -0.637 29.688 30.300 0.042 0.000 0.861 364 R HN 0.161 nan 8.270 nan 0.000 0.442 365 A N 1.435 124.328 122.820 0.121 0.000 1.930 365 A HA -0.013 4.305 4.320 -0.003 0.000 0.217 365 A C 2.239 180.064 177.584 0.402 0.000 1.175 365 A CA 1.329 53.522 52.037 0.259 0.000 0.627 365 A CB -0.386 18.840 19.000 0.377 0.000 0.815 365 A HN 0.356 nan 8.150 nan 0.000 0.443 366 I N -1.126 119.518 120.570 0.122 0.000 2.406 366 I HA -0.132 4.037 4.170 -0.003 0.000 0.249 366 I C 2.061 178.260 176.117 0.137 0.000 1.122 366 I CA 0.435 61.735 61.300 -0.000 0.000 1.431 366 I CB -0.214 37.535 38.000 -0.418 0.000 1.087 366 I HN 0.180 nan 8.210 nan 0.000 0.424 367 L N 0.755 122.028 121.223 0.084 0.000 2.131 367 L HA -0.164 4.174 4.340 -0.003 0.000 0.210 367 L C 2.579 179.514 176.870 0.109 0.000 1.092 367 L CA 1.641 56.530 54.840 0.081 0.000 0.759 367 L CB -0.881 41.210 42.059 0.054 0.000 0.903 367 L HN 0.164 nan 8.230 nan 0.000 0.435 368 R N -0.481 120.098 120.500 0.132 0.000 2.062 368 R HA -0.187 4.151 4.340 -0.003 0.000 0.231 368 R C 2.154 178.538 176.300 0.139 0.000 1.136 368 R CA 1.875 58.047 56.100 0.121 0.000 0.948 368 R CB -0.486 29.886 30.300 0.120 0.000 0.845 368 R HN 0.430 nan 8.270 nan 0.000 0.430 369 D N 0.403 120.935 120.400 0.221 0.000 2.123 369 D HA -0.180 4.458 4.640 -0.003 0.000 0.196 369 D C 2.055 178.457 176.300 0.170 0.000 0.992 369 D CA 1.239 55.378 54.000 0.231 0.000 0.833 369 D CB 0.046 41.115 40.800 0.449 0.000 0.954 369 D HN 0.297 nan 8.370 nan 0.000 0.455 370 L N 0.146 121.474 121.223 0.175 0.000 2.017 370 L HA -0.153 4.185 4.340 -0.003 0.000 0.208 370 L C 2.966 179.876 176.870 0.066 0.000 1.073 370 L CA 0.949 55.845 54.840 0.094 0.000 0.745 370 L CB -0.498 41.616 42.059 0.093 0.000 0.894 370 L HN 0.017 nan 8.230 nan 0.000 0.432 371 R N 0.643 121.187 120.500 0.074 0.000 2.096 371 R HA -0.152 4.186 4.340 -0.003 0.000 0.240 371 R C 2.173 178.496 176.300 0.040 0.000 1.139 371 R CA 1.750 57.882 56.100 0.054 0.000 0.952 371 R CB -0.821 29.513 30.300 0.055 0.000 0.854 371 R HN 0.341 nan 8.270 nan 0.000 0.436 372 G N -0.479 108.349 108.800 0.047 0.000 2.509 372 G HA2 -0.193 3.766 3.960 -0.003 0.000 0.218 372 G HA3 -0.193 3.766 3.960 -0.003 0.000 0.218 372 G C 1.059 175.972 174.900 0.022 0.000 1.124 372 G CA 0.336 45.456 45.100 0.033 0.000 0.776 372 G HN 0.299 nan 8.290 nan 0.000 0.547 373 R N -0.054 120.459 120.500 0.022 0.000 2.466 373 R HA 0.221 4.559 4.340 -0.003 0.000 0.279 373 R C 1.572 177.870 176.300 -0.003 0.000 0.976 373 R CA 0.281 56.381 56.100 0.000 0.000 1.081 373 R CB 0.249 30.539 30.300 -0.018 0.000 1.215 373 R HN 0.249 nan 8.270 nan 0.000 0.546 374 G N 2.289 111.093 108.800 0.007 0.000 2.337 374 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.290 374 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.290 374 G C 0.424 175.333 174.900 0.016 0.000 1.003 374 G CA 0.910 46.014 45.100 0.006 0.000 0.825 374 G HN 0.368 nan 8.290 nan 0.000 0.509 375 L N -2.254 118.982 121.223 0.021 0.000 3.062 375 L HA 0.675 5.014 4.340 -0.003 0.000 0.255 375 L C 0.155 177.076 176.870 0.085 0.000 1.274 375 L CA -0.608 54.256 54.840 0.040 0.000 1.047 375 L CB 0.611 42.663 42.059 -0.010 0.000 1.402 375 L HN 0.106 nan 8.230 nan 0.000 0.550 376 L N 0.510 121.789 121.223 0.094 0.000 2.384 376 L HA 0.311 4.649 4.340 -0.003 0.000 0.261 376 L C 0.435 177.409 176.870 0.172 0.000 1.024 376 L CA -0.404 54.517 54.840 0.134 0.000 0.899 376 L CB 1.080 43.197 42.059 0.096 0.000 1.243 376 L HN 0.282 nan 8.230 nan 0.000 0.449 377 F N 4.569 124.574 119.950 0.092 0.000 2.026 377 F HA -0.081 4.444 4.527 -0.003 0.000 0.296 377 F C 1.003 176.861 175.800 0.098 0.000 1.133 377 F CA 1.593 59.642 58.000 0.082 0.000 1.188 377 F CB 0.264 39.310 39.000 0.076 0.000 0.968 377 F HN 0.465 nan 8.300 nan 0.000 0.476 378 K N 0.026 120.814 120.400 0.647 0.000 2.477 378 K HA 0.285 4.603 4.320 -0.003 0.000 0.255 378 K C -1.568 175.250 176.600 0.363 0.000 0.952 378 K CA -0.645 55.947 56.287 0.510 0.000 0.826 378 K CB 1.934 34.836 32.500 0.671 0.000 1.331 378 K HN 0.137 nan 8.250 nan 0.000 0.437 379 E N 2.797 123.142 120.200 0.240 0.000 2.265 379 E HA 0.213 4.561 4.350 -0.003 0.000 0.262 379 E C -1.347 175.336 176.600 0.138 0.000 0.889 379 E CA -0.289 56.203 56.400 0.152 0.000 0.789 379 E CB 1.414 31.176 29.700 0.102 0.000 1.221 379 E HN 0.601 nan 8.360 nan 0.000 0.414 380 E N 1.507 121.782 120.200 0.124 0.000 2.449 380 E HA 0.472 4.820 4.350 -0.003 0.000 0.254 380 E C -1.135 175.524 176.600 0.097 0.000 0.907 380 E CA -1.179 55.295 56.400 0.124 0.000 0.840 380 E CB 1.960 31.758 29.700 0.164 0.000 1.459 380 E HN 0.211 nan 8.360 nan 0.000 0.407 381 S N 0.162 115.935 115.700 0.121 0.000 2.659 381 S HA 0.301 4.769 4.470 -0.003 0.000 0.312 381 S C -1.694 173.034 174.600 0.214 0.000 1.114 381 S CA -0.480 57.799 58.200 0.133 0.000 1.063 381 S CB 0.206 63.473 63.200 0.111 0.000 0.996 381 S HN 0.475 nan 8.310 nan 0.000 0.478 382 Y N 5.257 125.574 120.300 0.028 0.000 2.304 382 Y HA 0.529 5.076 4.550 -0.005 0.000 0.328 382 Y C -0.467 175.475 175.900 0.069 0.000 1.123 382 Y CA -0.867 57.238 58.100 0.009 0.000 1.218 382 Y CB 0.741 39.127 38.460 -0.123 0.000 1.207 382 Y HN 0.430 nan 8.280 nan 0.000 0.495 383 L N 8.620 129.833 121.223 -0.017 0.000 2.377 383 L HA 0.395 4.734 4.340 -0.003 0.000 0.270 383 L C -1.506 175.329 176.870 -0.058 0.000 0.991 383 L CA -0.239 54.614 54.840 0.021 0.000 0.851 383 L CB 0.524 42.626 42.059 0.071 0.000 1.218 383 L HN 0.878 nan 8.230 nan 0.000 0.420 384 H N 1.299 120.238 119.070 -0.219 0.000 2.990 384 H HA 0.452 5.006 4.556 -0.004 0.000 0.336 384 H C -1.121 174.233 175.328 0.043 0.000 1.306 384 H CA -0.806 55.145 56.048 -0.163 0.000 1.118 384 H CB 0.945 30.493 29.762 -0.358 0.000 1.856 384 H HN 0.385 nan 8.280 nan 0.000 0.538 385 S N 0.781 116.485 115.700 0.006 0.000 2.499 385 S HA 0.425 4.894 4.470 -0.003 0.000 0.275 385 S C -0.686 173.979 174.600 0.108 0.000 1.257 385 S CA -0.548 57.694 58.200 0.071 0.000 1.050 385 S CB 0.328 63.590 63.200 0.102 0.000 0.937 385 S HN 0.581 nan 8.310 nan 0.000 0.490 386 Y N 3.410 123.753 120.300 0.071 0.000 2.536 386 Y HA 0.578 5.125 4.550 -0.004 0.000 0.347 386 Y C -2.776 173.242 175.900 0.198 0.000 1.000 386 Y CA -2.550 55.604 58.100 0.089 0.000 1.051 386 Y CB 2.234 40.623 38.460 -0.117 0.000 1.259 386 Y HN 0.504 nan 8.280 nan 0.000 0.468 387 P HA 0.148 nan 4.420 nan 0.000 0.275 387 P C -1.380 175.666 177.300 -0.423 0.000 1.276 387 P CA 0.489 63.175 63.100 -0.690 0.000 0.782 387 P CB 0.387 31.559 31.700 -0.879 0.000 0.851 388 H N 0.847 119.797 119.070 -0.200 0.000 2.595 388 H HA 0.278 4.832 4.556 -0.004 0.000 0.346 388 H C 0.286 175.604 175.328 -0.017 0.000 1.181 388 H CA -0.585 55.438 56.048 -0.042 0.000 1.242 388 H CB 0.573 30.357 29.762 0.037 0.000 1.652 388 H HN 0.463 nan 8.280 nan 0.000 0.548 389 C N 4.001 123.396 119.300 0.159 0.000 2.653 389 C HA -0.005 4.453 4.460 -0.003 0.000 0.421 389 C C 1.780 176.902 174.990 0.219 0.000 1.334 389 C CA -0.567 58.551 59.018 0.168 0.000 1.885 389 C CB -0.817 26.972 27.740 0.083 0.000 2.645 389 C HN 1.008 nan 8.230 nan 0.000 0.601 390 W N 6.051 127.372 121.300 0.034 0.000 2.519 390 W HA 0.067 4.725 4.660 -0.003 0.000 0.266 390 W C 1.551 178.103 176.519 0.056 0.000 1.253 390 W CA 0.474 57.849 57.345 0.051 0.000 1.274 390 W CB -1.054 28.455 29.460 0.080 0.000 1.114 390 W HN 0.644 nan 8.180 nan 0.000 0.596 391 R N 1.931 122.194 120.500 -0.395 0.000 2.009 391 R HA 0.015 4.353 4.340 -0.003 0.000 0.213 391 R C 1.250 177.455 176.300 -0.158 0.000 1.297 391 R CA 1.056 56.916 56.100 -0.399 0.000 1.008 391 R CB -1.735 28.263 30.300 -0.504 0.000 0.852 391 R HN 0.203 nan 8.270 nan 0.000 0.475 392 C N 0.831 120.063 119.300 -0.114 0.000 2.527 392 C HA 0.422 4.880 4.460 -0.003 0.000 0.396 392 C C 1.414 176.413 174.990 0.014 0.000 1.289 392 C CA -0.769 58.221 59.018 -0.045 0.000 2.047 392 C CB 0.705 28.422 27.740 -0.039 0.000 2.568 392 C HN 0.401 nan 8.230 nan 0.000 0.573 393 S N 1.744 117.468 115.700 0.040 0.000 2.803 393 S HA -0.025 4.443 4.470 -0.003 0.000 0.226 393 S C 0.840 175.569 174.600 0.215 0.000 0.962 393 S CA 0.319 58.583 58.200 0.105 0.000 0.968 393 S CB -0.831 62.402 63.200 0.055 0.000 0.786 393 S HN 0.960 nan 8.310 nan 0.000 0.527 394 T N 5.563 120.207 114.554 0.150 0.000 2.866 394 T HA 0.052 4.400 4.350 -0.003 0.000 0.293 394 T C -2.222 172.578 174.700 0.167 0.000 1.005 394 T CA -0.561 61.639 62.100 0.168 0.000 1.162 394 T CB 0.246 69.191 68.868 0.128 0.000 0.968 394 T HN 0.199 nan 8.240 nan 0.000 0.530 395 P HA 0.193 nan 4.420 nan 0.000 0.271 395 P C -0.408 176.934 177.300 0.069 0.000 1.220 395 P CA -0.610 62.391 63.100 -0.165 0.000 0.768 395 P CB 0.628 32.223 31.700 -0.175 0.000 0.848 396 L N 3.885 125.071 121.223 -0.060 0.000 2.479 396 L HA 0.432 4.770 4.340 -0.003 0.000 0.248 396 L C 1.047 177.893 176.870 -0.039 0.000 1.205 396 L CA 0.174 54.960 54.840 -0.090 0.000 0.817 396 L CB -0.196 41.706 42.059 -0.263 0.000 1.162 396 L HN 0.477 nan 8.230 nan 0.000 0.486 397 M N -0.269 119.250 119.600 -0.135 0.000 2.271 397 M HA 0.438 4.916 4.480 -0.003 0.000 0.285 397 M C -1.706 174.613 176.300 0.031 0.000 1.059 397 M CA -0.786 54.488 55.300 -0.043 0.000 0.940 397 M CB 1.432 33.770 32.600 -0.437 0.000 1.636 397 M HN 0.182 nan 8.290 nan 0.000 0.460 398 Y N 2.536 123.031 120.300 0.325 0.000 2.544 398 Y HA 0.296 4.844 4.550 -0.003 0.000 0.330 398 Y C -0.792 175.346 175.900 0.398 0.000 1.136 398 Y CA 0.825 59.101 58.100 0.293 0.000 1.417 398 Y CB 0.167 38.766 38.460 0.232 0.000 1.229 398 Y HN 0.627 nan 8.280 nan 0.000 0.532 399 Y N 1.877 122.312 120.300 0.226 0.000 2.457 399 Y HA 0.685 5.233 4.550 -0.003 0.000 0.343 399 Y C -0.825 175.080 175.900 0.008 0.000 0.994 399 Y CA -1.777 56.364 58.100 0.068 0.000 1.031 399 Y CB 1.370 39.745 38.460 -0.141 0.000 1.246 399 Y HN 0.646 nan 8.280 nan 0.000 0.449 400 A N 4.099 126.643 122.820 -0.460 0.000 2.354 400 A HA 0.617 4.936 4.320 -0.003 0.000 0.281 400 A C -0.029 177.314 177.584 -0.401 0.000 1.174 400 A CA 0.599 52.454 52.037 -0.303 0.000 0.828 400 A CB 0.171 19.003 19.000 -0.281 0.000 1.099 400 A HN 0.797 nan 8.150 nan 0.000 0.516 401 T N 0.982 115.380 114.554 -0.261 0.000 2.739 401 T HA 0.369 4.717 4.350 -0.003 0.000 0.303 401 T C -1.086 173.227 174.700 -0.646 0.000 1.389 401 T CA -0.559 61.279 62.100 -0.436 0.000 1.001 401 T CB 1.056 69.905 68.868 -0.033 0.000 1.436 401 T HN 0.770 nan 8.240 nan 0.000 0.500 402 E N 1.086 120.963 120.200 -0.539 0.000 2.316 402 E HA 0.530 4.878 4.350 -0.003 0.000 0.275 402 E C -0.836 175.635 176.600 -0.216 0.000 1.029 402 E CA -0.228 55.958 56.400 -0.357 0.000 0.871 402 E CB 0.676 30.294 29.700 -0.136 0.000 1.022 402 E HN 0.565 nan 8.360 nan 0.000 0.418 403 S N 3.291 118.794 115.700 -0.327 0.000 2.638 403 S HA 0.574 5.043 4.470 -0.003 0.000 0.274 403 S C -2.084 172.084 174.600 -0.720 0.000 1.157 403 S CA -0.752 57.140 58.200 -0.513 0.000 0.826 403 S CB 0.614 63.452 63.200 -0.603 0.000 1.139 403 S HN 0.539 nan 8.310 nan 0.000 0.474 404 W N 1.920 122.686 121.300 -0.890 0.000 2.656 404 W HA 0.719 5.377 4.660 -0.003 0.000 0.327 404 W C -1.246 174.799 176.519 -0.789 0.000 1.041 404 W CA -0.414 56.530 57.345 -0.669 0.000 1.229 404 W CB 1.330 30.467 29.460 -0.538 0.000 1.397 404 W HN 0.466 nan 8.180 nan 0.000 0.479 405 F N 2.578 122.345 119.950 -0.305 0.000 2.611 405 F HA 0.642 5.167 4.527 -0.003 0.000 0.324 405 F C -0.149 175.626 175.800 -0.041 0.000 1.061 405 F CA -1.644 56.242 58.000 -0.190 0.000 0.954 405 F CB 0.944 39.786 39.000 -0.263 0.000 1.301 405 F HN -0.082 nan 8.300 nan 0.000 0.482 406 I N 1.493 122.268 120.570 0.342 0.000 2.330 406 I HA 0.249 4.417 4.170 -0.003 0.000 0.289 406 I C 0.183 176.575 176.117 0.458 0.000 1.001 406 I CA -0.670 60.825 61.300 0.324 0.000 1.193 406 I CB 1.311 39.440 38.000 0.214 0.000 1.345 406 I HN 0.492 nan 8.210 nan 0.000 0.461 407 K N 5.551 126.227 120.400 0.460 0.000 2.972 407 K HA -0.052 4.266 4.320 -0.003 0.000 0.257 407 K C 0.982 177.796 176.600 0.357 0.000 1.118 407 K CA 0.053 56.563 56.287 0.372 0.000 1.142 407 K CB -0.679 31.951 32.500 0.217 0.000 1.252 407 K HN 0.641 nan 8.250 nan 0.000 0.266 408 N N -1.198 117.738 118.700 0.393 0.000 2.571 408 N HA -0.125 4.613 4.740 -0.003 0.000 0.189 408 N C 1.060 176.761 175.510 0.318 0.000 1.154 408 N CA 0.702 53.997 53.050 0.408 0.000 0.907 408 N CB 0.117 38.855 38.487 0.418 0.000 0.977 408 N HN 0.138 nan 8.380 nan 0.000 0.449 409 T N -0.814 113.864 114.554 0.206 0.000 3.014 409 T HA 0.055 4.403 4.350 -0.003 0.000 0.263 409 T C 1.613 176.337 174.700 0.040 0.000 1.078 409 T CA 0.230 62.387 62.100 0.095 0.000 1.135 409 T CB -0.365 68.522 68.868 0.031 0.000 0.895 409 T HN 0.182 nan 8.240 nan 0.000 0.480 410 L N -0.327 120.897 121.223 0.002 0.000 2.721 410 L HA 0.185 4.523 4.340 -0.003 0.000 0.241 410 L C 0.662 177.257 176.870 -0.458 0.000 1.168 410 L CA 0.813 55.516 54.840 -0.228 0.000 0.866 410 L CB -0.623 41.240 42.059 -0.327 0.000 0.996 410 L HN 0.248 nan 8.230 nan 0.000 0.451 411 F N -1.753 118.213 119.950 0.026 0.000 2.817 411 F HA 0.162 4.686 4.527 -0.004 0.000 0.319 411 F C 1.807 177.625 175.800 0.030 0.000 1.136 411 F CA -0.346 57.671 58.000 0.028 0.000 1.177 411 F CB 0.133 39.158 39.000 0.041 0.000 1.088 411 F HN -0.177 nan 8.300 nan 0.000 0.520 412 K N 0.813 121.287 120.400 0.124 0.000 2.044 412 K HA -0.198 4.120 4.320 -0.003 0.000 0.210 412 K C 1.166 177.804 176.600 0.064 0.000 1.049 412 K CA 2.201 58.535 56.287 0.078 0.000 0.927 412 K CB 0.004 32.513 32.500 0.015 0.000 0.713 412 K HN 0.216 nan 8.250 nan 0.000 0.443 413 D N 0.028 120.455 120.400 0.045 0.000 2.123 413 D HA -0.128 4.511 4.640 -0.003 0.000 0.200 413 D C 1.884 178.227 176.300 0.071 0.000 0.976 413 D CA 0.859 54.882 54.000 0.037 0.000 0.831 413 D CB -0.046 40.762 40.800 0.013 0.000 0.974 413 D HN 0.230 nan 8.370 nan 0.000 0.469 414 E N 1.123 121.386 120.200 0.104 0.000 2.038 414 E HA -0.113 4.235 4.350 -0.003 0.000 0.195 414 E C 2.282 178.971 176.600 0.148 0.000 1.000 414 E CA 0.646 57.127 56.400 0.134 0.000 0.803 414 E CB -0.415 29.413 29.700 0.212 0.000 0.750 414 E HN 0.190 nan 8.360 nan 0.000 0.448 415 L N 0.061 121.392 121.223 0.180 0.000 2.127 415 L HA -0.181 4.157 4.340 -0.003 0.000 0.211 415 L C 2.263 179.298 176.870 0.274 0.000 1.089 415 L CA 0.999 55.982 54.840 0.238 0.000 0.757 415 L CB -0.303 41.895 42.059 0.232 0.000 0.899 415 L HN 0.253 nan 8.230 nan 0.000 0.434 416 I N -1.468 119.185 120.570 0.138 0.000 2.716 416 I HA -0.166 4.003 4.170 -0.003 0.000 0.259 416 I C 2.601 178.764 176.117 0.076 0.000 1.172 416 I CA 0.552 61.895 61.300 0.072 0.000 1.478 416 I CB -0.241 37.769 38.000 0.017 0.000 1.104 416 I HN 0.164 nan 8.210 nan 0.000 0.439 417 R N 1.174 121.725 120.500 0.085 0.000 2.075 417 R HA -0.109 4.229 4.340 -0.003 0.000 0.230 417 R C 2.145 178.494 176.300 0.082 0.000 1.140 417 R CA 1.631 57.772 56.100 0.068 0.000 0.928 417 R CB -0.312 30.025 30.300 0.062 0.000 0.834 417 R HN 0.367 nan 8.270 nan 0.000 0.429 418 N N 0.792 119.564 118.700 0.120 0.000 2.272 418 N HA -0.215 4.523 4.740 -0.003 0.000 0.185 418 N C 1.338 176.935 175.510 0.145 0.000 1.014 418 N CA 1.060 54.188 53.050 0.131 0.000 0.870 418 N CB -0.536 38.047 38.487 0.160 0.000 0.975 418 N HN 0.421 nan 8.380 nan 0.000 0.433 419 N N 0.610 119.410 118.700 0.167 0.000 2.289 419 N HA -0.136 4.602 4.740 -0.003 0.000 0.184 419 N C 1.268 176.846 175.510 0.114 0.000 1.016 419 N CA 0.501 53.602 53.050 0.085 0.000 0.872 419 N CB 0.235 38.754 38.487 0.053 0.000 0.973 419 N HN 0.172 nan 8.380 nan 0.000 0.433 420 Q N 1.032 120.875 119.800 0.072 0.000 2.079 420 Q HA -0.130 4.208 4.340 -0.003 0.000 0.200 420 Q C 1.612 177.635 176.000 0.038 0.000 0.974 420 Q CA 1.182 57.017 55.803 0.052 0.000 0.840 420 Q CB -0.297 28.459 28.738 0.031 0.000 0.898 420 Q HN 0.573 nan 8.270 nan 0.000 0.430 421 E N 0.462 120.671 120.200 0.014 0.000 2.118 421 E HA -0.104 4.244 4.350 -0.003 0.000 0.195 421 E C 0.577 177.142 176.600 -0.057 0.000 0.992 421 E CA 0.194 56.582 56.400 -0.021 0.000 0.804 421 E CB -0.155 29.522 29.700 -0.039 0.000 0.741 421 E HN 0.322 nan 8.360 nan 0.000 0.458 422 I N 1.718 122.231 120.570 -0.095 0.000 2.813 422 I HA -0.096 4.073 4.170 -0.003 0.000 0.287 422 I C 0.814 176.847 176.117 -0.140 0.000 1.196 422 I CA 0.230 61.388 61.300 -0.237 0.000 1.421 422 I CB 0.220 37.942 38.000 -0.462 0.000 1.365 422 I HN 0.135 nan 8.210 nan 0.000 0.591 423 H N 6.384 125.250 119.070 -0.340 0.000 2.690 423 H HA 0.211 4.766 4.556 -0.002 0.000 0.280 423 H C -1.454 173.668 175.328 -0.344 0.000 1.138 423 H CA -0.835 55.076 56.048 -0.229 0.000 1.241 423 H CB 0.182 29.823 29.762 -0.200 0.000 1.394 423 H HN 0.434 nan 8.280 nan 0.000 0.489 424 W N 5.237 126.425 121.300 -0.186 0.000 2.322 424 W HA 0.162 4.822 4.660 -0.001 0.000 0.307 424 W C 1.299 177.706 176.519 -0.185 0.000 1.220 424 W CA -0.496 56.739 57.345 -0.184 0.000 1.210 424 W CB 0.872 30.213 29.460 -0.199 0.000 1.223 424 W HN 0.310 nan 8.180 nan 0.000 0.511 425 V N 4.985 124.934 119.914 0.058 0.000 2.232 425 V HA -0.169 3.949 4.120 -0.003 0.000 0.241 425 V C -1.343 174.744 176.094 -0.012 0.000 1.036 425 V CA 1.243 63.567 62.300 0.041 0.000 0.993 425 V CB -1.375 30.446 31.823 -0.005 0.000 0.639 425 V HN 0.355 nan 8.190 nan 0.000 0.459 426 P HA 0.073 nan 4.420 nan 0.000 0.264 426 P C -2.404 174.740 177.300 -0.259 0.000 1.229 426 P CA -1.133 61.849 63.100 -0.197 0.000 0.780 426 P CB 0.687 32.197 31.700 -0.316 0.000 0.808 427 P HA -0.214 nan 4.420 nan 0.000 0.215 427 P C 1.304 178.525 177.300 -0.131 0.000 1.157 427 P CA 1.833 64.867 63.100 -0.109 0.000 0.874 427 P CB -0.699 30.962 31.700 -0.064 0.000 0.790 428 H N -1.583 117.459 119.070 -0.047 0.000 2.566 428 H HA -0.058 4.497 4.556 -0.001 0.000 0.285 428 H C 1.360 176.606 175.328 -0.137 0.000 1.041 428 H CA 0.722 56.724 56.048 -0.075 0.000 1.207 428 H CB -1.299 28.433 29.762 -0.050 0.000 1.353 428 H HN 0.144 nan 8.280 nan 0.000 0.604 429 I N 0.201 120.574 120.570 -0.328 0.000 3.226 429 I HA -0.037 4.131 4.170 -0.003 0.000 0.277 429 I C 2.254 177.945 176.117 -0.711 0.000 1.243 429 I CA 0.481 61.529 61.300 -0.420 0.000 1.459 429 I CB -0.582 37.115 38.000 -0.505 0.000 1.093 429 I HN 0.351 nan 8.210 nan 0.000 0.453 430 K N 1.582 121.612 120.400 -0.617 0.000 2.057 430 K HA -0.188 4.130 4.320 -0.003 0.000 0.206 430 K C 1.598 178.022 176.600 -0.293 0.000 1.050 430 K CA 1.695 57.645 56.287 -0.563 0.000 0.935 430 K CB 0.350 32.760 32.500 -0.151 0.000 0.715 430 K HN 0.231 nan 8.250 nan 0.000 0.439 431 E N -0.922 119.169 120.200 -0.181 0.000 2.290 431 E HA 0.118 4.467 4.350 -0.003 0.000 0.197 431 E C 1.378 177.917 176.600 -0.101 0.000 0.948 431 E CA 0.514 56.845 56.400 -0.115 0.000 0.895 431 E CB -0.142 29.519 29.700 -0.065 0.000 0.865 431 E HN 0.343 nan 8.360 nan 0.000 0.486 432 G N 1.634 110.386 108.800 -0.080 0.000 2.781 432 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.157 432 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.157 432 G C 1.231 176.100 174.900 -0.051 0.000 1.823 432 G CA 0.068 45.149 45.100 -0.032 0.000 0.932 432 G HN -0.046 nan 8.290 nan 0.000 0.398 433 R N -0.905 119.580 120.500 -0.026 0.000 2.159 433 R HA -0.186 4.152 4.340 -0.003 0.000 0.249 433 R C 2.232 178.524 176.300 -0.013 0.000 1.136 433 R CA 1.982 58.070 56.100 -0.021 0.000 0.951 433 R CB -1.242 29.045 30.300 -0.022 0.000 0.876 433 R HN 0.566 nan 8.270 nan 0.000 0.440 434 Y N 0.220 120.340 120.300 -0.300 0.000 2.436 434 Y HA 0.167 4.716 4.550 -0.003 0.000 0.288 434 Y C 2.230 178.051 175.900 -0.131 0.000 1.112 434 Y CA 0.814 58.759 58.100 -0.259 0.000 1.220 434 Y CB -0.418 37.714 38.460 -0.546 0.000 1.073 434 Y HN 0.112 nan 8.280 nan 0.000 0.552 435 G N -0.200 108.440 108.800 -0.267 0.000 2.421 435 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.216 435 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.216 435 G C 1.503 176.302 174.900 -0.169 0.000 1.171 435 G CA 1.044 46.003 45.100 -0.234 0.000 0.775 435 G HN 0.334 nan 8.290 nan 0.000 0.543 436 E N -0.179 119.962 120.200 -0.098 0.000 2.038 436 E HA -0.158 4.190 4.350 -0.003 0.000 0.195 436 E C 1.940 178.522 176.600 -0.032 0.000 1.000 436 E CA 1.063 57.433 56.400 -0.050 0.000 0.803 436 E CB -0.489 29.204 29.700 -0.012 0.000 0.750 436 E HN 0.522 nan 8.360 nan 0.000 0.448 437 W N 0.642 121.835 121.300 -0.178 0.000 2.308 437 W HA -0.216 4.442 4.660 -0.004 0.000 0.301 437 W C 1.784 178.194 176.519 -0.182 0.000 1.220 437 W CA 1.706 58.957 57.345 -0.156 0.000 1.240 437 W CB -0.316 29.058 29.460 -0.143 0.000 1.142 437 W HN 0.125 nan 8.180 nan 0.000 0.521 438 L N -0.170 120.970 121.223 -0.138 0.000 2.109 438 L HA -0.168 4.170 4.340 -0.003 0.000 0.207 438 L C 2.297 179.070 176.870 -0.162 0.000 1.086 438 L CA 1.343 56.077 54.840 -0.178 0.000 0.760 438 L CB -0.770 41.169 42.059 -0.199 0.000 0.910 438 L HN -0.167 nan 8.230 nan 0.000 0.437 439 K N 0.295 120.610 120.400 -0.141 0.000 2.360 439 K HA -0.104 4.214 4.320 -0.003 0.000 0.201 439 K C 0.654 177.171 176.600 -0.138 0.000 1.046 439 K CA 1.107 57.326 56.287 -0.113 0.000 0.945 439 K CB -0.110 32.337 32.500 -0.089 0.000 0.750 439 K HN 0.365 nan 8.250 nan 0.000 0.464 440 N N 0.082 118.657 118.700 -0.207 0.000 2.200 440 N HA 0.109 4.847 4.740 -0.003 0.000 0.224 440 N C -0.452 174.849 175.510 -0.348 0.000 1.179 440 N CA -0.211 52.695 53.050 -0.240 0.000 0.877 440 N CB 0.518 38.862 38.487 -0.238 0.000 1.072 440 N HN -0.003 nan 8.380 nan 0.000 0.519 441 L N 1.356 122.362 121.223 -0.362 0.000 2.581 441 L HA -0.032 4.306 4.340 -0.003 0.000 0.299 441 L C -0.408 176.306 176.870 -0.261 0.000 1.261 441 L CA 0.809 55.406 54.840 -0.405 0.000 0.866 441 L CB 0.366 42.309 42.059 -0.193 0.000 1.113 441 L HN -0.073 nan 8.230 nan 0.000 0.514 442 V N 2.744 122.516 119.914 -0.236 0.000 2.925 442 V HA 0.230 4.348 4.120 -0.003 0.000 0.311 442 V C -0.631 175.503 176.094 0.067 0.000 1.104 442 V CA -1.061 61.190 62.300 -0.080 0.000 0.954 442 V CB 2.150 33.923 31.823 -0.084 0.000 1.022 442 V HN 0.685 nan 8.190 nan 0.000 0.427 443 D N 2.033 122.513 120.400 0.134 0.000 2.548 443 D HA -0.059 4.579 4.640 -0.003 0.000 0.231 443 D C -0.349 176.242 176.300 0.484 0.000 1.142 443 D CA 0.356 54.533 54.000 0.295 0.000 0.866 443 D CB 0.442 41.375 40.800 0.221 0.000 1.190 443 D HN 0.474 nan 8.370 nan 0.000 0.469 444 W N 2.629 124.147 121.300 0.363 0.000 2.388 444 W HA 0.427 5.086 4.660 -0.002 0.000 0.308 444 W C -0.630 176.106 176.519 0.362 0.000 1.263 444 W CA -1.597 55.980 57.345 0.386 0.000 1.286 444 W CB -0.207 29.482 29.460 0.380 0.000 1.294 444 W HN 0.268 nan 8.180 nan 0.000 0.493 445 A N 7.432 130.674 122.820 0.703 0.000 2.376 445 A HA 0.274 4.593 4.320 -0.003 0.000 0.298 445 A C 0.380 178.109 177.584 0.241 0.000 1.271 445 A CA -0.346 51.790 52.037 0.164 0.000 0.926 445 A CB 0.393 19.455 19.000 0.104 0.000 1.141 445 A HN 0.794 nan 8.150 nan 0.000 0.539 446 L N 3.795 124.989 121.223 -0.049 0.000 2.121 446 L HA 0.102 4.440 4.340 -0.003 0.000 0.200 446 L C 1.779 178.587 176.870 -0.103 0.000 1.077 446 L CA 1.808 56.584 54.840 -0.108 0.000 0.766 446 L CB -0.394 41.466 42.059 -0.333 0.000 0.931 446 L HN 0.718 nan 8.230 nan 0.000 0.452 447 S N 1.855 117.434 115.700 -0.202 0.000 2.558 447 S HA 0.075 4.543 4.470 -0.003 0.000 0.293 447 S C 0.004 174.594 174.600 -0.016 0.000 1.292 447 S CA -0.259 57.838 58.200 -0.171 0.000 1.063 447 S CB 0.017 62.974 63.200 -0.404 0.000 0.831 447 S HN 0.307 nan 8.310 nan 0.000 0.499 448 R N 2.997 123.535 120.500 0.063 0.000 2.532 448 R HA 0.271 4.609 4.340 -0.003 0.000 0.297 448 R C -1.168 175.154 176.300 0.036 0.000 0.984 448 R CA -0.644 55.490 56.100 0.057 0.000 0.884 448 R CB 1.197 31.518 30.300 0.036 0.000 1.182 448 R HN 0.716 nan 8.270 nan 0.000 0.442 449 N N 2.833 121.529 118.700 -0.006 0.000 3.178 449 N HA 0.110 4.848 4.740 -0.003 0.000 0.300 449 N C -0.125 175.188 175.510 -0.328 0.000 1.242 449 N CA -0.017 52.938 53.050 -0.158 0.000 1.192 449 N CB 0.317 38.753 38.487 -0.086 0.000 1.463 449 N HN 0.179 nan 8.380 nan 0.000 0.539 450 R N -0.096 120.162 120.500 -0.403 0.000 3.212 450 R HA 0.421 4.759 4.340 -0.003 0.000 0.240 450 R C 0.001 175.815 176.300 -0.811 0.000 1.470 450 R CA -0.507 55.247 56.100 -0.578 0.000 1.041 450 R CB 0.057 30.282 30.300 -0.125 0.000 1.494 450 R HN 0.229 nan 8.270 nan 0.000 0.502 451 Y N -1.850 118.536 120.300 0.144 0.000 2.701 451 Y HA 0.272 4.820 4.550 -0.003 0.000 0.275 451 Y C 0.734 176.852 175.900 0.363 0.000 1.133 451 Y CA -0.545 57.691 58.100 0.225 0.000 1.241 451 Y CB 0.681 39.314 38.460 0.287 0.000 1.389 451 Y HN 0.414 nan 8.280 nan 0.000 0.486 452 W N 2.790 124.278 121.300 0.314 0.000 2.228 452 W HA 0.537 5.195 4.660 -0.003 0.000 0.364 452 W C -0.476 176.102 176.519 0.098 0.000 0.917 452 W CA -0.037 57.442 57.345 0.222 0.000 1.513 452 W CB 0.158 29.724 29.460 0.176 0.000 1.494 452 W HN 0.149 nan 8.180 nan 0.000 0.346 453 G N 1.710 110.281 108.800 -0.381 0.000 2.488 453 G HA2 0.201 4.159 3.960 -0.003 0.000 0.301 453 G HA3 0.201 4.159 3.960 -0.003 0.000 0.301 453 G C -1.193 173.161 174.900 -0.910 0.000 1.339 453 G CA -0.727 43.914 45.100 -0.764 0.000 0.803 453 G HN -0.085 nan 8.290 nan 0.000 0.482 454 T N 3.223 117.334 114.554 -0.739 0.000 2.769 454 T HA 0.419 4.767 4.350 -0.003 0.000 0.293 454 T C -2.225 172.365 174.700 -0.183 0.000 0.931 454 T CA -0.296 61.575 62.100 -0.381 0.000 1.139 454 T CB 1.040 69.867 68.868 -0.069 0.000 0.881 454 T HN 0.210 nan 8.240 nan 0.000 0.532 455 P HA 0.057 nan 4.420 nan 0.000 0.267 455 P C -0.448 176.684 177.300 -0.280 0.000 1.201 455 P CA -0.619 62.409 63.100 -0.120 0.000 0.775 455 P CB 0.417 32.138 31.700 0.034 0.000 0.854 456 L N 5.820 126.789 121.223 -0.423 0.000 2.268 456 L HA 0.328 4.666 4.340 -0.003 0.000 0.289 456 L C -1.813 174.583 176.870 -0.790 0.000 1.064 456 L CA -2.241 52.241 54.840 -0.597 0.000 0.824 456 L CB 0.427 42.116 42.059 -0.617 0.000 1.202 456 L HN 0.281 nan 8.230 nan 0.000 0.433 457 P HA -0.052 nan 4.420 nan 0.000 0.310 457 P C -0.401 176.564 177.300 -0.558 0.000 1.512 457 P CA 0.478 63.020 63.100 -0.930 0.000 0.753 457 P CB -0.489 30.530 31.700 -1.134 0.000 1.608 458 I N -0.268 119.847 120.570 -0.758 0.000 2.377 458 I HA 0.322 4.490 4.170 -0.003 0.000 0.293 458 I C 0.327 176.127 176.117 -0.530 0.000 0.987 458 I CA -0.416 60.526 61.300 -0.597 0.000 1.185 458 I CB 1.081 38.578 38.000 -0.839 0.000 1.341 458 I HN -0.025 nan 8.210 nan 0.000 0.455 459 W N 6.199 127.348 121.300 -0.251 0.000 2.417 459 W HA 0.558 5.216 4.660 -0.003 0.000 0.315 459 W C -0.919 175.575 176.519 -0.042 0.000 1.045 459 W CA -0.655 56.620 57.345 -0.115 0.000 1.221 459 W CB 1.891 31.302 29.460 -0.081 0.000 1.309 459 W HN 0.120 nan 8.180 nan 0.000 0.453 460 V N 3.499 123.462 119.914 0.081 0.000 2.716 460 V HA 0.214 4.332 4.120 -0.003 0.000 0.304 460 V C 0.246 176.419 176.094 0.131 0.000 1.053 460 V CA -0.792 61.577 62.300 0.115 0.000 0.984 460 V CB 1.730 33.611 31.823 0.097 0.000 1.021 460 V HN 0.606 nan 8.190 nan 0.000 0.467 461 C N 3.301 122.675 119.300 0.123 0.000 2.350 461 C HA 0.317 4.775 4.460 -0.003 0.000 0.348 461 C C 1.464 176.506 174.990 0.087 0.000 1.260 461 C CA -0.365 58.718 59.018 0.108 0.000 1.966 461 C CB 0.557 28.356 27.740 0.099 0.000 2.380 461 C HN 1.010 nan 8.230 nan 0.000 0.535 462 Q N 3.389 123.236 119.800 0.079 0.000 2.515 462 Q HA 0.093 4.431 4.340 -0.003 0.000 0.212 462 Q C 1.160 177.194 176.000 0.056 0.000 0.970 462 Q CA 0.995 56.837 55.803 0.064 0.000 0.941 462 Q CB 0.237 29.011 28.738 0.060 0.000 0.998 462 Q HN 0.885 nan 8.270 nan 0.000 0.518 463 A N -0.703 122.152 122.820 0.058 0.000 1.714 463 A HA 0.100 4.419 4.320 -0.003 0.000 0.158 463 A C 0.900 178.515 177.584 0.051 0.000 1.763 463 A CA -0.061 52.006 52.037 0.050 0.000 1.419 463 A CB -0.697 18.330 19.000 0.046 0.000 1.113 463 A HN 0.355 nan 8.150 nan 0.000 0.895 464 C N 1.017 120.348 119.300 0.053 0.000 1.862 464 C HA 0.492 4.950 4.460 -0.003 0.000 0.228 464 C C 1.711 176.739 174.990 0.063 0.000 2.978 464 C CA 0.477 59.526 59.018 0.052 0.000 1.737 464 C CB -0.911 26.859 27.740 0.050 0.000 1.924 464 C HN 1.023 nan 8.230 nan 0.000 0.433 465 G N 2.054 110.894 108.800 0.067 0.000 2.272 465 G HA2 0.264 4.222 3.960 -0.003 0.000 0.274 465 G HA3 0.264 4.222 3.960 -0.003 0.000 0.274 465 G C 0.162 175.125 174.900 0.105 0.000 1.136 465 G CA 0.017 45.165 45.100 0.081 0.000 1.098 465 G HN 0.835 nan 8.290 nan 0.000 0.425 466 K N 1.942 122.411 120.400 0.115 0.000 2.706 466 K HA 0.123 4.441 4.320 -0.003 0.000 0.290 466 K C 0.532 177.245 176.600 0.189 0.000 1.063 466 K CA -0.248 56.123 56.287 0.141 0.000 0.967 466 K CB 0.158 32.739 32.500 0.136 0.000 1.157 466 K HN 0.545 nan 8.250 nan 0.000 0.476 467 E N 1.161 121.497 120.200 0.227 0.000 0.918 467 E HA -0.261 4.087 4.350 -0.003 0.000 0.369 467 E C -0.882 175.891 176.600 0.288 0.000 0.593 467 E CA 1.151 57.723 56.400 0.285 0.000 1.394 467 E CB -0.310 29.710 29.700 0.534 0.000 0.264 467 E HN 0.336 nan 8.360 nan 0.000 0.371 468 E N 0.448 120.682 120.200 0.056 0.000 2.335 468 E HA 0.604 4.952 4.350 -0.003 0.000 0.280 468 E C -1.730 174.750 176.600 -0.200 0.000 0.918 468 E CA -0.613 55.826 56.400 0.064 0.000 0.765 468 E CB 1.406 31.186 29.700 0.133 0.000 1.218 468 E HN 0.468 nan 8.360 nan 0.000 0.425 469 A N 3.703 126.377 122.820 -0.244 0.000 2.331 469 A HA 0.631 4.949 4.320 -0.003 0.000 0.320 469 A C -1.016 176.549 177.584 -0.032 0.000 1.138 469 A CA -0.571 51.304 52.037 -0.271 0.000 0.790 469 A CB 0.625 19.328 19.000 -0.496 0.000 1.206 469 A HN 0.466 nan 8.150 nan 0.000 0.470 470 I N 2.179 122.758 120.570 0.016 0.000 2.395 470 I HA 0.417 4.585 4.170 -0.003 0.000 0.289 470 I C 1.351 177.580 176.117 0.188 0.000 1.023 470 I CA 0.663 62.007 61.300 0.073 0.000 1.350 470 I CB 1.915 39.927 38.000 0.019 0.000 1.409 470 I HN 0.738 nan 8.210 nan 0.000 0.507 471 G N 3.540 112.477 108.800 0.228 0.000 3.044 471 G HA2 0.300 4.258 3.960 -0.003 0.000 0.223 471 G HA3 0.300 4.258 3.960 -0.003 0.000 0.223 471 G C 0.036 175.184 174.900 0.412 0.000 1.123 471 G CA 0.557 45.848 45.100 0.318 0.000 0.765 471 G HN 0.635 nan 8.290 nan 0.000 0.546 472 S N -1.481 114.404 115.700 0.309 0.000 2.588 472 S HA 0.519 4.987 4.470 -0.003 0.000 0.269 472 S C 0.070 174.697 174.600 0.044 0.000 1.157 472 S CA -0.679 57.590 58.200 0.116 0.000 0.824 472 S CB 0.713 64.092 63.200 0.298 0.000 1.126 472 S HN -0.165 nan 8.310 nan 0.000 0.464 473 F N 1.438 121.368 119.950 -0.034 0.000 2.234 473 F HA 0.039 4.565 4.527 -0.003 0.000 0.299 473 F C 2.874 178.601 175.800 -0.122 0.000 1.087 473 F CA 1.316 59.233 58.000 -0.138 0.000 1.340 473 F CB -1.083 37.775 39.000 -0.236 0.000 1.031 473 F HN 0.835 nan 8.300 nan 0.000 0.500 474 Q N 1.295 121.156 119.800 0.101 0.000 2.045 474 Q HA -0.252 4.086 4.340 -0.003 0.000 0.206 474 Q C 1.750 177.770 176.000 0.034 0.000 0.991 474 Q CA 2.496 58.333 55.803 0.056 0.000 0.851 474 Q CB -0.692 28.092 28.738 0.076 0.000 0.911 474 Q HN 0.532 nan 8.270 nan 0.000 0.418 475 E N 0.521 120.754 120.200 0.056 0.000 2.038 475 E HA -0.190 4.158 4.350 -0.003 0.000 0.195 475 E C 2.224 178.804 176.600 -0.034 0.000 1.000 475 E CA 1.241 57.655 56.400 0.023 0.000 0.803 475 E CB -0.420 29.308 29.700 0.046 0.000 0.750 475 E HN 0.406 nan 8.360 nan 0.000 0.448 476 L N 1.151 122.357 121.223 -0.028 0.000 2.010 476 L HA -0.285 4.053 4.340 -0.003 0.000 0.219 476 L C 2.638 179.425 176.870 -0.139 0.000 1.077 476 L CA 1.450 56.219 54.840 -0.118 0.000 0.773 476 L CB -0.250 41.792 42.059 -0.028 0.000 0.892 476 L HN 0.107 nan 8.230 nan 0.000 0.436 477 K N -0.140 120.190 120.400 -0.116 0.000 2.057 477 K HA -0.127 4.191 4.320 -0.003 0.000 0.207 477 K C 1.908 178.464 176.600 -0.073 0.000 1.049 477 K CA 1.552 57.774 56.287 -0.109 0.000 0.931 477 K CB -0.313 32.127 32.500 -0.101 0.000 0.714 477 K HN 0.401 nan 8.250 nan 0.000 0.440 478 A N 0.933 123.720 122.820 -0.056 0.000 2.119 478 A HA -0.083 4.235 4.320 -0.003 0.000 0.217 478 A C 1.943 179.497 177.584 -0.051 0.000 1.153 478 A CA 0.930 52.943 52.037 -0.040 0.000 0.692 478 A CB -0.068 18.919 19.000 -0.022 0.000 0.799 478 A HN 0.124 nan 8.150 nan 0.000 0.458 479 R N -0.301 120.148 120.500 -0.085 0.000 2.142 479 R HA 0.295 4.633 4.340 -0.003 0.000 0.204 479 R C 1.209 177.446 176.300 -0.104 0.000 1.059 479 R CA 0.696 56.734 56.100 -0.104 0.000 1.055 479 R CB -1.522 28.676 30.300 -0.170 0.000 0.976 479 R HN 0.379 nan 8.270 nan 0.000 0.483 480 A N 1.530 124.277 122.820 -0.121 0.000 2.609 480 A HA -0.007 4.311 4.320 -0.003 0.000 0.232 480 A C 1.331 178.894 177.584 -0.034 0.000 1.041 480 A CA 1.079 53.068 52.037 -0.080 0.000 0.753 480 A CB 0.077 19.038 19.000 -0.064 0.000 0.966 480 A HN 0.496 nan 8.150 nan 0.000 0.510 481 T N -1.026 113.524 114.554 -0.006 0.000 3.067 481 T HA 0.207 4.555 4.350 -0.003 0.000 0.257 481 T C 0.536 175.246 174.700 0.017 0.000 1.105 481 T CA 0.836 62.941 62.100 0.009 0.000 1.104 481 T CB -0.032 68.851 68.868 0.024 0.000 0.925 481 T HN 0.477 nan 8.240 nan 0.000 0.498 482 K N 2.430 122.844 120.400 0.024 0.000 2.371 482 K HA 0.545 4.863 4.320 -0.003 0.000 0.251 482 K C -2.874 173.742 176.600 0.026 0.000 0.934 482 K CA -2.641 53.665 56.287 0.032 0.000 0.798 482 K CB 1.652 34.183 32.500 0.052 0.000 1.204 482 K HN 0.001 nan 8.250 nan 0.000 0.427 483 P HA 0.036 nan 4.420 nan 0.000 0.268 483 P C -0.463 176.855 177.300 0.031 0.000 1.204 483 P CA -0.086 63.020 63.100 0.009 0.000 0.768 483 P CB 0.500 32.205 31.700 0.009 0.000 0.842 484 L N 4.959 126.188 121.223 0.009 0.000 2.473 484 L HA 0.203 4.541 4.340 -0.003 0.000 0.268 484 L C -1.299 175.636 176.870 0.108 0.000 1.215 484 L CA -1.854 53.029 54.840 0.071 0.000 0.823 484 L CB -0.695 41.312 42.059 -0.087 0.000 1.099 484 L HN 0.327 nan 8.230 nan 0.000 0.483 485 P HA 0.024 nan 4.420 nan 0.000 0.267 485 P C 0.049 177.406 177.300 0.094 0.000 1.205 485 P CA -0.078 63.094 63.100 0.119 0.000 0.765 485 P CB 0.744 32.507 31.700 0.104 0.000 0.828 486 E N 3.501 123.725 120.200 0.041 0.000 2.095 486 E HA -0.171 4.177 4.350 -0.003 0.000 0.212 486 E C -0.875 175.735 176.600 0.017 0.000 1.044 486 E CA 1.278 57.689 56.400 0.019 0.000 0.857 486 E CB -1.548 28.154 29.700 0.004 0.000 0.764 486 E HN 0.615 nan 8.360 nan 0.000 0.462 487 P HA 0.085 nan 4.420 nan 0.000 0.241 487 P C -1.171 176.086 177.300 -0.072 0.000 1.780 487 P CA -0.251 62.821 63.100 -0.047 0.000 1.111 487 P CB -0.583 31.067 31.700 -0.083 0.000 1.852 488 F N 3.019 122.863 119.950 -0.177 0.000 2.487 488 F HA 0.166 4.691 4.527 -0.003 0.000 0.364 488 F C 0.189 175.840 175.800 -0.249 0.000 1.126 488 F CA -0.149 57.719 58.000 -0.220 0.000 1.135 488 F CB 0.253 39.083 39.000 -0.285 0.000 1.127 488 F HN 0.130 nan 8.300 nan 0.000 0.559 489 D N 8.635 128.559 120.400 -0.794 0.000 2.392 489 D HA 0.296 4.934 4.640 -0.003 0.000 0.228 489 D C -2.340 173.598 176.300 -0.603 0.000 1.074 489 D CA -2.340 51.352 54.000 -0.514 0.000 0.838 489 D CB 1.355 41.954 40.800 -0.335 0.000 1.067 489 D HN 0.229 nan 8.370 nan 0.000 0.511 490 P HA 0.092 nan 4.420 nan 0.000 0.228 490 P C -0.905 176.447 177.300 0.085 0.000 1.748 490 P CA -0.045 62.960 63.100 -0.159 0.000 0.909 490 P CB -0.272 31.411 31.700 -0.029 0.000 1.882 491 H N -0.543 118.603 119.070 0.126 0.000 2.670 491 H HA 0.361 4.915 4.556 -0.003 0.000 0.361 491 H C 1.484 176.934 175.328 0.204 0.000 1.169 491 H CA -0.662 55.511 56.048 0.209 0.000 1.198 491 H CB 1.173 31.122 29.762 0.310 0.000 1.700 491 H HN -0.252 nan 8.280 nan 0.000 0.542 492 R N 1.502 122.163 120.500 0.268 0.000 2.307 492 R HA -0.202 4.137 4.340 -0.003 0.000 0.224 492 R C -0.974 175.359 176.300 0.055 0.000 1.106 492 R CA 2.562 58.753 56.100 0.152 0.000 0.840 492 R CB -1.932 28.503 30.300 0.224 0.000 0.952 492 R HN 0.630 nan 8.270 nan 0.000 0.401 493 P HA -0.167 nan 4.420 nan 0.000 0.215 493 P C 1.315 178.442 177.300 -0.289 0.000 1.157 493 P CA 1.822 64.750 63.100 -0.286 0.000 0.868 493 P CB -0.350 31.016 31.700 -0.557 0.000 0.788 494 Y N 0.561 120.920 120.300 0.098 0.000 2.263 494 Y HA -0.082 4.466 4.550 -0.003 0.000 0.292 494 Y C 2.623 178.601 175.900 0.130 0.000 1.130 494 Y CA 0.849 58.993 58.100 0.074 0.000 1.179 494 Y CB -1.655 36.795 38.460 -0.017 0.000 0.998 494 Y HN -0.185 nan 8.280 nan 0.000 0.532 495 V N -2.638 117.444 119.914 0.281 0.000 2.809 495 V HA -0.138 3.980 4.120 -0.003 0.000 0.256 495 V C 1.273 177.545 176.094 0.297 0.000 1.080 495 V CA 1.664 64.192 62.300 0.379 0.000 1.102 495 V CB -0.377 31.704 31.823 0.429 0.000 0.705 495 V HN 0.267 nan 8.190 nan 0.000 0.475 496 D N 0.250 120.741 120.400 0.150 0.000 2.371 496 D HA -0.060 4.579 4.640 -0.003 0.000 0.221 496 D C 2.012 178.386 176.300 0.123 0.000 0.986 496 D CA 0.777 54.820 54.000 0.072 0.000 0.899 496 D CB 0.161 40.966 40.800 0.008 0.000 0.902 496 D HN 0.508 nan 8.370 nan 0.000 0.530 497 Q N -0.106 119.805 119.800 0.184 0.000 2.396 497 Q HA 0.088 4.426 4.340 -0.003 0.000 0.209 497 Q C 0.476 176.615 176.000 0.232 0.000 0.906 497 Q CA 0.077 55.988 55.803 0.180 0.000 0.927 497 Q CB 0.902 29.739 28.738 0.164 0.000 1.069 497 Q HN 0.101 nan 8.270 nan 0.000 0.523 498 V N 2.593 122.704 119.914 0.328 0.000 2.508 498 V HA 0.056 4.174 4.120 -0.003 0.000 0.281 498 V C 0.224 176.538 176.094 0.367 0.000 1.041 498 V CA 0.234 62.728 62.300 0.323 0.000 1.016 498 V CB 0.739 32.785 31.823 0.371 0.000 0.984 498 V HN 0.097 nan 8.190 nan 0.000 0.478 499 E N 4.787 125.115 120.200 0.213 0.000 2.191 499 E HA 0.551 4.899 4.350 -0.003 0.000 0.263 499 E C -1.036 175.600 176.600 0.060 0.000 0.881 499 E CA -0.596 55.923 56.400 0.198 0.000 0.757 499 E CB 1.917 31.710 29.700 0.155 0.000 1.147 499 E HN 0.555 nan 8.360 nan 0.000 0.414 500 L N 0.996 122.215 121.223 -0.006 0.000 2.416 500 L HA 0.714 5.052 4.340 -0.003 0.000 0.262 500 L C 0.268 177.138 176.870 -0.000 0.000 1.093 500 L CA -1.175 53.612 54.840 -0.088 0.000 0.801 500 L CB 0.801 42.714 42.059 -0.243 0.000 1.191 500 L HN 0.439 nan 8.230 nan 0.000 0.459 501 A N 0.516 123.330 122.820 -0.010 0.000 2.328 501 A HA 0.418 4.736 4.320 -0.003 0.000 0.284 501 A C -0.272 177.325 177.584 0.022 0.000 1.160 501 A CA -0.393 51.653 52.037 0.015 0.000 0.818 501 A CB 0.817 19.822 19.000 0.009 0.000 1.087 501 A HN 0.822 nan 8.150 nan 0.000 0.504 502 C N 2.317 121.641 119.300 0.040 0.000 2.459 502 C HA 0.559 5.017 4.460 -0.003 0.000 0.374 502 C C 1.961 176.975 174.990 0.038 0.000 1.241 502 C CA 0.215 59.261 59.018 0.047 0.000 2.352 502 C CB 0.500 28.277 27.740 0.062 0.000 2.490 502 C HN 1.108 nan 8.230 nan 0.000 0.583 503 A N 2.440 125.284 122.820 0.040 0.000 1.948 503 A HA -0.212 4.106 4.320 -0.003 0.000 0.220 503 A C 2.102 179.706 177.584 0.033 0.000 1.177 503 A CA 2.440 54.498 52.037 0.035 0.000 0.636 503 A CB -1.244 17.779 19.000 0.038 0.000 0.815 503 A HN 1.441 nan 8.150 nan 0.000 0.449 504 C N -2.622 116.700 119.300 0.038 0.000 2.491 504 C HA 0.481 4.939 4.460 -0.003 0.000 0.277 504 C C 1.952 176.961 174.990 0.032 0.000 1.455 504 C CA 0.288 59.327 59.018 0.035 0.000 1.758 504 C CB -0.963 26.800 27.740 0.039 0.000 1.745 504 C HN 1.735 nan 8.230 nan 0.000 0.558 505 G N -0.365 108.455 108.800 0.033 0.000 2.179 505 G HA2 0.093 4.051 3.960 -0.003 0.000 0.220 505 G HA3 0.093 4.051 3.960 -0.003 0.000 0.220 505 G C 0.388 175.310 174.900 0.036 0.000 0.990 505 G CA 0.054 45.173 45.100 0.031 0.000 0.646 505 G HN 1.203 nan 8.290 nan 0.000 0.517 506 G N -0.620 108.205 108.800 0.042 0.000 2.476 506 G HA2 0.570 4.528 3.960 -0.003 0.000 0.286 506 G HA3 0.570 4.528 3.960 -0.003 0.000 0.286 506 G C 0.025 174.959 174.900 0.057 0.000 1.177 506 G CA 0.663 45.793 45.100 0.049 0.000 0.870 506 G HN 0.594 nan 8.290 nan 0.000 0.528 507 T N 0.782 115.373 114.554 0.063 0.000 2.889 507 T HA 0.526 4.874 4.350 -0.003 0.000 0.291 507 T C 0.277 175.039 174.700 0.103 0.000 0.995 507 T CA -0.212 61.934 62.100 0.076 0.000 1.092 507 T CB 0.201 69.112 68.868 0.072 0.000 0.954 507 T HN 0.292 nan 8.240 nan 0.000 0.506 508 M N 4.615 124.300 119.600 0.142 0.000 2.383 508 M HA 0.546 5.024 4.480 -0.003 0.000 0.325 508 M C -0.256 176.229 176.300 0.310 0.000 1.092 508 M CA -1.023 54.405 55.300 0.214 0.000 0.961 508 M CB 1.830 34.584 32.600 0.257 0.000 1.672 508 M HN 0.369 nan 8.290 nan 0.000 0.438 509 R N 1.946 122.576 120.500 0.215 0.000 2.637 509 R HA 0.579 4.917 4.340 -0.003 0.000 0.291 509 R C -0.626 175.573 176.300 -0.167 0.000 0.963 509 R CA -0.839 55.330 56.100 0.116 0.000 0.901 509 R CB 1.591 31.916 30.300 0.043 0.000 1.160 509 R HN 0.781 nan 8.270 nan 0.000 0.457 510 R N -0.057 120.083 120.500 -0.600 0.000 2.560 510 R HA 0.421 4.760 4.340 -0.003 0.000 0.270 510 R C 0.576 176.550 176.300 -0.545 0.000 1.074 510 R CA -0.823 54.611 56.100 -1.110 0.000 1.140 510 R CB 0.359 29.429 30.300 -2.050 0.000 1.073 510 R HN 0.400 nan 8.270 nan 0.000 0.527 511 V N -1.490 118.144 119.914 -0.467 0.000 3.287 511 V HA 0.154 4.272 4.120 -0.003 0.000 0.306 511 V C -1.823 174.097 176.094 -0.290 0.000 1.103 511 V CA -1.102 61.078 62.300 -0.199 0.000 1.159 511 V CB 0.418 32.240 31.823 -0.002 0.000 1.036 511 V HN 0.968 nan 8.190 nan 0.000 0.487 512 P HA 0.222 nan 4.420 nan 0.000 0.266 512 P C -0.285 176.736 177.300 -0.464 0.000 1.381 512 P CA -0.149 62.705 63.100 -0.411 0.000 0.940 512 P CB -0.063 31.393 31.700 -0.408 0.000 1.435 513 Y N -0.338 119.806 120.300 -0.261 0.000 2.260 513 Y HA 0.322 4.870 4.550 -0.003 0.000 0.339 513 Y C 1.136 176.864 175.900 -0.286 0.000 1.317 513 Y CA -0.405 57.540 58.100 -0.258 0.000 1.514 513 Y CB 0.309 38.619 38.460 -0.250 0.000 1.382 513 Y HN -0.349 nan 8.280 nan 0.000 0.581 514 V N 2.380 122.256 119.914 -0.062 0.000 2.612 514 V HA 0.199 4.317 4.120 -0.003 0.000 0.301 514 V C -0.433 175.593 176.094 -0.114 0.000 1.059 514 V CA -1.039 61.181 62.300 -0.134 0.000 0.886 514 V CB 1.544 33.284 31.823 -0.137 0.000 1.007 514 V HN 0.475 nan 8.190 nan 0.000 0.426 515 I N 3.571 124.042 120.570 -0.164 0.000 3.058 515 I HA -0.045 4.123 4.170 -0.003 0.000 0.299 515 I C 0.720 176.842 176.117 0.009 0.000 1.238 515 I CA 0.497 61.714 61.300 -0.139 0.000 1.423 515 I CB 0.070 37.953 38.000 -0.194 0.000 1.330 515 I HN 0.763 nan 8.210 nan 0.000 0.589 516 D N 3.478 123.957 120.400 0.131 0.000 2.351 516 D HA 0.100 4.738 4.640 -0.003 0.000 0.251 516 D C 1.151 177.663 176.300 0.354 0.000 1.137 516 D CA -0.271 53.924 54.000 0.325 0.000 0.879 516 D CB 1.046 42.200 40.800 0.590 0.000 1.181 516 D HN 0.321 nan 8.370 nan 0.000 0.448 517 V N 2.008 122.057 119.914 0.224 0.000 2.660 517 V HA -0.184 3.934 4.120 -0.003 0.000 0.257 517 V C 1.685 177.864 176.094 0.141 0.000 1.088 517 V CA 1.135 63.492 62.300 0.094 0.000 1.106 517 V CB -1.313 30.443 31.823 -0.112 0.000 0.686 517 V HN 0.648 nan 8.190 nan 0.000 0.481 518 W N -1.109 120.478 121.300 0.478 0.000 2.519 518 W HA 0.092 4.751 4.660 -0.002 0.000 0.266 518 W C 2.394 179.252 176.519 0.566 0.000 1.253 518 W CA 0.677 58.302 57.345 0.468 0.000 1.274 518 W CB -0.479 29.215 29.460 0.391 0.000 1.114 518 W HN 0.288 nan 8.180 nan 0.000 0.596 519 Y N 1.455 122.157 120.300 0.670 0.000 2.263 519 Y HA -0.212 4.336 4.550 -0.003 0.000 0.292 519 Y C 1.956 178.070 175.900 0.356 0.000 1.130 519 Y CA 1.783 60.155 58.100 0.454 0.000 1.179 519 Y CB -0.251 38.299 38.460 0.150 0.000 0.998 519 Y HN -0.204 nan 8.280 nan 0.000 0.532 520 D N -0.510 120.196 120.400 0.512 0.000 2.077 520 D HA -0.166 4.472 4.640 -0.003 0.000 0.196 520 D C 2.267 178.814 176.300 0.411 0.000 0.986 520 D CA 1.989 56.257 54.000 0.445 0.000 0.829 520 D CB -0.538 40.460 40.800 0.330 0.000 0.983 520 D HN 0.295 nan 8.370 nan 0.000 0.453 521 S N 0.074 115.990 115.700 0.360 0.000 2.465 521 S HA -0.079 4.389 4.470 -0.003 0.000 0.241 521 S C 1.988 176.965 174.600 0.628 0.000 1.000 521 S CA 1.008 59.457 58.200 0.416 0.000 0.964 521 S CB -0.459 62.938 63.200 0.329 0.000 0.763 521 S HN 0.386 nan 8.310 nan 0.000 0.512 522 G N 1.408 110.488 108.800 0.467 0.000 2.408 522 G HA2 0.168 4.126 3.960 -0.003 0.000 0.213 522 G HA3 0.168 4.126 3.960 -0.003 0.000 0.213 522 G C 1.505 176.518 174.900 0.188 0.000 1.177 522 G CA 0.423 45.722 45.100 0.332 0.000 0.802 522 G HN 0.583 nan 8.290 nan 0.000 0.533 523 A N 0.940 123.771 122.820 0.020 0.000 2.070 523 A HA 0.038 4.356 4.320 -0.003 0.000 0.220 523 A C 2.195 179.459 177.584 -0.533 0.000 1.159 523 A CA 1.721 53.576 52.037 -0.303 0.000 0.656 523 A CB -0.431 18.251 19.000 -0.530 0.000 0.800 523 A HN 0.338 nan 8.150 nan 0.000 0.453 524 M N 0.376 119.893 119.600 -0.140 0.000 2.622 524 M HA -0.238 4.240 4.480 -0.003 0.000 0.257 524 M C -0.906 175.180 176.300 -0.357 0.000 1.047 524 M CA 2.928 58.123 55.300 -0.174 0.000 1.054 524 M CB -2.177 30.511 32.600 0.147 0.000 1.295 524 M HN 0.161 nan 8.290 nan 0.000 0.462 525 P HA -0.188 nan 4.420 nan 0.000 0.218 525 P C 1.112 178.428 177.300 0.027 0.000 1.147 525 P CA 2.139 65.191 63.100 -0.080 0.000 0.827 525 P CB -0.385 31.554 31.700 0.398 0.000 0.778 526 F N -4.498 115.291 119.950 -0.270 0.000 2.778 526 F HA 0.603 5.128 4.527 -0.003 0.000 0.314 526 F C 1.798 177.413 175.800 -0.309 0.000 1.073 526 F CA 0.146 57.833 58.000 -0.522 0.000 1.218 526 F CB -0.702 37.714 39.000 -0.974 0.000 1.037 526 F HN -0.255 nan 8.300 nan 0.000 0.594 527 A N 0.977 123.175 122.820 -1.037 0.000 2.072 527 A HA 0.024 4.342 4.320 -0.003 0.000 0.216 527 A C 2.273 179.395 177.584 -0.770 0.000 1.156 527 A CA 1.159 52.582 52.037 -1.024 0.000 0.701 527 A CB -1.082 16.881 19.000 -1.728 0.000 0.816 527 A HN 0.469 nan 8.150 nan 0.000 0.458 528 S N -0.505 114.819 115.700 -0.626 0.000 2.447 528 S HA 0.092 4.560 4.470 -0.003 0.000 0.233 528 S C 0.789 175.260 174.600 -0.215 0.000 1.006 528 S CA 0.428 58.361 58.200 -0.445 0.000 0.957 528 S CB -0.533 62.161 63.200 -0.843 0.000 0.773 528 S HN 0.384 nan 8.310 nan 0.000 0.507 529 L N -0.202 120.901 121.223 -0.200 0.000 2.347 529 L HA 0.417 4.755 4.340 -0.003 0.000 0.268 529 L C 1.219 178.096 176.870 0.011 0.000 1.019 529 L CA -0.789 53.957 54.840 -0.156 0.000 0.806 529 L CB 0.583 42.589 42.059 -0.088 0.000 1.339 529 L HN 0.189 nan 8.230 nan 0.000 0.463 530 H N -0.894 118.173 119.070 -0.005 0.000 2.537 530 H HA -0.029 4.525 4.556 -0.003 0.000 0.295 530 H C 0.928 176.325 175.328 0.115 0.000 1.054 530 H CA -0.248 55.847 56.048 0.079 0.000 1.156 530 H CB 0.408 30.246 29.762 0.127 0.000 1.468 530 H HN 0.611 nan 8.280 nan 0.000 0.551 531 Y N 2.275 122.568 120.300 -0.012 0.000 2.100 531 Y HA -0.439 4.110 4.550 -0.003 0.000 0.157 531 Y C -1.051 174.597 175.900 -0.419 0.000 1.167 531 Y CA 2.975 60.934 58.100 -0.234 0.000 0.764 531 Y CB -1.915 36.258 38.460 -0.479 0.000 0.605 531 Y HN 0.334 nan 8.280 nan 0.000 0.626 532 P HA -0.177 nan 4.420 nan 0.000 0.218 532 P C 1.418 177.966 177.300 -1.253 0.000 1.148 532 P CA 2.476 64.430 63.100 -1.910 0.000 0.822 532 P CB -0.529 29.759 31.700 -2.354 0.000 0.784 533 F N -0.385 119.135 119.950 -0.717 0.000 2.754 533 F HA 0.275 4.800 4.527 -0.003 0.000 0.297 533 F C 1.131 176.760 175.800 -0.286 0.000 1.122 533 F CA 0.195 57.879 58.000 -0.527 0.000 1.400 533 F CB -0.019 38.526 39.000 -0.758 0.000 1.117 533 F HN -0.086 nan 8.300 nan 0.000 0.587 534 E N -2.472 117.722 120.200 -0.011 0.000 2.423 534 E HA 0.279 4.627 4.350 -0.003 0.000 0.280 534 E C -0.944 175.794 176.600 0.231 0.000 1.030 534 E CA -0.978 55.501 56.400 0.132 0.000 0.812 534 E CB 1.212 31.150 29.700 0.397 0.000 1.313 534 E HN 0.084 nan 8.360 nan 0.000 0.456 535 H N -0.089 119.016 119.070 0.059 0.000 2.776 535 H HA -0.170 4.384 4.556 -0.003 0.000 0.300 535 H C 1.146 176.560 175.328 0.144 0.000 1.161 535 H CA 0.960 57.070 56.048 0.104 0.000 1.147 535 H CB -1.033 28.814 29.762 0.141 0.000 1.366 535 H HN 0.493 nan 8.280 nan 0.000 0.397 536 E N 1.156 121.431 120.200 0.125 0.000 2.147 536 E HA -0.252 4.096 4.350 -0.003 0.000 0.199 536 E C 2.046 178.774 176.600 0.214 0.000 1.005 536 E CA 1.849 58.336 56.400 0.145 0.000 0.810 536 E CB 0.153 29.844 29.700 -0.016 0.000 0.736 536 E HN 0.866 nan 8.360 nan 0.000 0.460 537 E N 0.029 120.313 120.200 0.139 0.000 2.230 537 E HA -0.065 4.284 4.350 -0.003 0.000 0.192 537 E C 2.185 178.871 176.600 0.144 0.000 0.987 537 E CA 0.744 57.212 56.400 0.113 0.000 0.841 537 E CB -0.582 29.156 29.700 0.064 0.000 0.783 537 E HN 0.158 nan 8.360 nan 0.000 0.481 538 V N 0.852 120.896 119.914 0.216 0.000 2.591 538 V HA -0.131 3.987 4.120 -0.003 0.000 0.249 538 V C 2.234 178.460 176.094 0.220 0.000 1.053 538 V CA 1.434 63.873 62.300 0.230 0.000 1.068 538 V CB -0.918 31.095 31.823 0.316 0.000 0.689 538 V HN 0.120 nan 8.190 nan 0.000 0.462 539 F N 1.805 121.821 119.950 0.110 0.000 2.102 539 F HA -0.121 4.404 4.527 -0.003 0.000 0.298 539 F C 2.549 178.336 175.800 -0.022 0.000 1.105 539 F CA 1.627 59.623 58.000 -0.006 0.000 1.239 539 F CB -0.363 38.565 39.000 -0.120 0.000 0.991 539 F HN -0.032 nan 8.300 nan 0.000 0.474 540 R N 0.178 120.563 120.500 -0.192 0.000 2.096 540 R HA -0.140 4.198 4.340 -0.003 0.000 0.235 540 R C 2.114 178.329 176.300 -0.142 0.000 1.127 540 R CA 1.658 57.609 56.100 -0.248 0.000 0.968 540 R CB -0.548 29.715 30.300 -0.062 0.000 0.861 540 R HN 0.432 nan 8.270 nan 0.000 0.440 541 E N 0.123 120.300 120.200 -0.039 0.000 2.285 541 E HA -0.069 4.279 4.350 -0.003 0.000 0.194 541 E C 0.969 177.573 176.600 0.007 0.000 0.997 541 E CA 1.250 57.655 56.400 0.008 0.000 0.845 541 E CB 0.306 30.047 29.700 0.069 0.000 0.782 541 E HN 0.286 nan 8.360 nan 0.000 0.491 542 S N -0.588 115.112 115.700 0.000 0.000 2.749 542 S HA 0.102 4.570 4.470 -0.003 0.000 0.246 542 S C 0.802 175.446 174.600 0.073 0.000 1.023 542 S CA -0.659 57.568 58.200 0.045 0.000 1.012 542 S CB 0.005 63.288 63.200 0.140 0.000 0.942 542 S HN 0.091 nan 8.310 nan 0.000 0.531 543 F N 4.167 123.912 119.950 -0.340 0.000 1.990 543 F HA 0.291 4.817 4.527 -0.003 0.000 0.293 543 F C -2.196 173.504 175.800 -0.165 0.000 1.244 543 F CA 0.029 57.784 58.000 -0.408 0.000 1.153 543 F CB -1.619 36.791 39.000 -0.983 0.000 0.975 543 F HN 0.017 nan 8.300 nan 0.000 0.492 544 P HA 0.097 nan 4.420 nan 0.000 0.255 544 P C -1.075 175.946 177.300 -0.465 0.000 1.173 544 P CA 0.363 63.048 63.100 -0.691 0.000 0.780 544 P CB -0.120 31.252 31.700 -0.546 0.000 0.758 545 A N 3.931 126.392 122.820 -0.598 0.000 2.425 545 A HA 0.060 4.378 4.320 -0.003 0.000 0.242 545 A C 1.179 178.456 177.584 -0.510 0.000 1.077 545 A CA -0.019 51.530 52.037 -0.813 0.000 0.781 545 A CB 0.124 18.173 19.000 -1.584 0.000 1.020 545 A HN 0.528 nan 8.150 nan 0.000 0.494 546 D N -0.764 119.348 120.400 -0.480 0.000 2.348 546 D HA 0.196 4.834 4.640 -0.003 0.000 0.211 546 D C -0.627 175.534 176.300 -0.231 0.000 0.998 546 D CA 1.124 54.918 54.000 -0.343 0.000 0.873 546 D CB 0.227 40.804 40.800 -0.370 0.000 0.925 546 D HN 0.419 nan 8.370 nan 0.000 0.524 547 F N 1.270 120.921 119.950 -0.499 0.000 2.704 547 F HA 0.306 4.831 4.527 -0.003 0.000 0.312 547 F C -2.096 173.506 175.800 -0.329 0.000 1.108 547 F CA -1.127 56.609 58.000 -0.441 0.000 1.005 547 F CB 0.975 39.777 39.000 -0.329 0.000 1.277 547 F HN -0.197 nan 8.300 nan 0.000 0.445 548 I N 2.062 121.837 120.570 -1.325 0.000 3.095 548 I HA 1.003 5.171 4.170 -0.003 0.000 0.310 548 I C -1.696 173.677 176.117 -1.240 0.000 1.196 548 I CA -1.230 59.522 61.300 -0.914 0.000 0.985 548 I CB 2.313 39.976 38.000 -0.562 0.000 1.250 548 I HN 1.001 nan 8.210 nan 0.000 0.446 549 A N 2.784 125.336 122.820 -0.448 0.000 2.611 549 A HA 0.725 5.043 4.320 -0.003 0.000 0.282 549 A C -0.949 176.737 177.584 0.169 0.000 1.114 549 A CA -0.458 51.470 52.037 -0.183 0.000 0.800 549 A CB 0.892 19.880 19.000 -0.020 0.000 1.325 549 A HN 0.724 nan 8.150 nan 0.000 0.411 550 E N 0.533 120.972 120.200 0.398 0.000 2.476 550 E HA 0.668 5.016 4.350 -0.003 0.000 0.246 550 E C 0.372 177.295 176.600 0.539 0.000 0.872 550 E CA -0.533 56.124 56.400 0.429 0.000 0.867 550 E CB 1.079 30.906 29.700 0.212 0.000 1.533 550 E HN 0.709 nan 8.360 nan 0.000 0.399 551 G N 0.516 109.422 108.800 0.177 0.000 2.395 551 G HA2 0.273 4.231 3.960 -0.003 0.000 0.283 551 G HA3 0.273 4.231 3.960 -0.003 0.000 0.283 551 G C 0.792 175.618 174.900 -0.123 0.000 1.178 551 G CA -0.387 44.560 45.100 -0.255 0.000 0.837 551 G HN 0.352 nan 8.290 nan 0.000 0.518 552 I N 1.490 122.018 120.570 -0.070 0.000 2.229 552 I HA -0.280 3.888 4.170 -0.003 0.000 0.250 552 I C 2.365 178.455 176.117 -0.045 0.000 1.096 552 I CA 2.383 63.699 61.300 0.026 0.000 1.358 552 I CB -0.312 37.701 38.000 0.022 0.000 1.047 552 I HN 0.739 nan 8.210 nan 0.000 0.422 553 D N -1.075 119.269 120.400 -0.093 0.000 2.389 553 D HA -0.225 4.413 4.640 -0.003 0.000 0.221 553 D C 1.620 177.800 176.300 -0.200 0.000 0.974 553 D CA 0.726 54.661 54.000 -0.108 0.000 0.923 553 D CB -0.453 40.312 40.800 -0.059 0.000 0.892 553 D HN 0.424 nan 8.370 nan 0.000 0.518 554 Q N -0.093 119.523 119.800 -0.305 0.000 2.451 554 Q HA -0.022 4.317 4.340 -0.003 0.000 0.206 554 Q C 1.808 177.506 176.000 -0.503 0.000 0.947 554 Q CA 1.211 56.684 55.803 -0.550 0.000 0.937 554 Q CB -0.202 27.882 28.738 -1.090 0.000 1.025 554 Q HN 0.689 nan 8.270 nan 0.000 0.511 555 T N -2.084 112.344 114.554 -0.209 0.000 3.051 555 T HA -0.018 4.330 4.350 -0.003 0.000 0.269 555 T C 1.399 175.902 174.700 -0.329 0.000 1.127 555 T CA 0.569 62.624 62.100 -0.074 0.000 1.107 555 T CB 0.136 69.002 68.868 -0.003 0.000 0.898 555 T HN 0.018 nan 8.240 nan 0.000 0.517 556 R N 0.018 120.226 120.500 -0.487 0.000 2.476 556 R HA 0.436 4.775 4.340 -0.003 0.000 0.276 556 R C 1.500 177.238 176.300 -0.937 0.000 0.941 556 R CA 0.504 56.151 56.100 -0.755 0.000 1.088 556 R CB 0.728 30.676 30.300 -0.587 0.000 1.216 556 R HN 0.541 nan 8.270 nan 0.000 0.533 557 G N -0.718 107.582 108.800 -0.832 0.000 2.667 557 G HA2 -0.070 3.888 3.960 -0.003 0.000 0.209 557 G HA3 -0.070 3.888 3.960 -0.003 0.000 0.209 557 G C 0.496 175.170 174.900 -0.377 0.000 1.963 557 G CA -0.129 44.261 45.100 -1.184 0.000 0.728 557 G HN 0.204 nan 8.290 nan 0.000 0.807 558 W N 1.348 122.568 121.300 -0.133 0.000 2.354 558 W HA 0.133 4.791 4.660 -0.003 0.000 0.315 558 W C 2.519 179.090 176.519 0.087 0.000 1.206 558 W CA 1.214 58.613 57.345 0.090 0.000 1.290 558 W CB -0.860 28.634 29.460 0.056 0.000 1.152 558 W HN 0.227 nan 8.180 nan 0.000 0.489 559 F N 0.385 120.248 119.950 -0.146 0.000 2.087 559 F HA -0.400 4.125 4.527 -0.004 0.000 0.299 559 F C 2.617 178.308 175.800 -0.182 0.000 1.100 559 F CA 1.461 59.273 58.000 -0.314 0.000 1.226 559 F CB -1.142 37.715 39.000 -0.239 0.000 0.983 559 F HN 0.042 nan 8.300 nan 0.000 0.479 560 N N 0.737 119.392 118.700 -0.074 0.000 2.120 560 N HA -0.183 4.556 4.740 -0.003 0.000 0.188 560 N C 1.852 177.389 175.510 0.045 0.000 1.024 560 N CA 1.747 54.764 53.050 -0.054 0.000 0.852 560 N CB -0.067 38.230 38.487 -0.315 0.000 1.003 560 N HN 0.308 nan 8.380 nan 0.000 0.424 561 S N 0.615 116.309 115.700 -0.010 0.000 2.414 561 S HA 0.023 4.491 4.470 -0.003 0.000 0.227 561 S C 2.274 177.010 174.600 0.226 0.000 1.022 561 S CA 0.145 58.446 58.200 0.167 0.000 0.958 561 S CB -0.473 62.941 63.200 0.357 0.000 0.797 561 S HN 0.240 nan 8.310 nan 0.000 0.493 562 L N 0.887 122.191 121.223 0.135 0.000 1.976 562 L HA -0.152 4.187 4.340 -0.003 0.000 0.209 562 L C 2.922 179.951 176.870 0.264 0.000 1.071 562 L CA 2.221 57.150 54.840 0.148 0.000 0.746 562 L CB -0.766 41.271 42.059 -0.038 0.000 0.890 562 L HN 0.409 nan 8.230 nan 0.000 0.432 563 H N -0.104 119.091 119.070 0.207 0.000 2.319 563 H HA -0.213 4.342 4.556 -0.003 0.000 0.299 563 H C 2.338 177.760 175.328 0.157 0.000 1.092 563 H CA 2.049 58.172 56.048 0.125 0.000 1.302 563 H CB 0.030 29.885 29.762 0.155 0.000 1.373 563 H HN 0.287 nan 8.280 nan 0.000 0.497 564 Q N -0.862 119.028 119.800 0.150 0.000 2.124 564 Q HA -0.104 4.234 4.340 -0.003 0.000 0.202 564 Q C 2.113 178.144 176.000 0.051 0.000 0.977 564 Q CA 1.248 57.118 55.803 0.111 0.000 0.850 564 Q CB 0.048 28.978 28.738 0.320 0.000 0.901 564 Q HN 0.355 nan 8.270 nan 0.000 0.429 565 L N -0.298 120.996 121.223 0.119 0.000 2.217 565 L HA -0.022 4.316 4.340 -0.003 0.000 0.211 565 L C 2.162 179.009 176.870 -0.039 0.000 1.107 565 L CA 1.546 56.400 54.840 0.023 0.000 0.783 565 L CB -0.974 41.119 42.059 0.056 0.000 0.919 565 L HN 0.205 nan 8.230 nan 0.000 0.442 566 G N -1.138 107.723 108.800 0.102 0.000 2.414 566 G HA2 -0.172 3.787 3.960 -0.003 0.000 0.215 566 G HA3 -0.172 3.787 3.960 -0.003 0.000 0.215 566 G C 1.591 176.520 174.900 0.047 0.000 1.188 566 G CA 1.030 46.289 45.100 0.265 0.000 0.783 566 G HN 0.235 nan 8.290 nan 0.000 0.537 567 V N 0.926 120.748 119.914 -0.154 0.000 2.358 567 V HA -0.112 4.006 4.120 -0.003 0.000 0.246 567 V C 2.862 178.757 176.094 -0.332 0.000 1.047 567 V CA 1.841 64.017 62.300 -0.205 0.000 1.035 567 V CB -0.363 31.295 31.823 -0.275 0.000 0.658 567 V HN 0.339 nan 8.190 nan 0.000 0.452 568 M N -1.092 118.231 119.600 -0.461 0.000 2.319 568 M HA -0.027 4.451 4.480 -0.003 0.000 0.265 568 M C 1.955 177.944 176.300 -0.517 0.000 1.068 568 M CA 1.673 56.541 55.300 -0.719 0.000 1.118 568 M CB -0.105 32.130 32.600 -0.607 0.000 1.395 568 M HN 0.281 nan 8.290 nan 0.000 0.435 569 L N -2.174 118.724 121.223 -0.541 0.000 2.286 569 L HA 0.090 4.428 4.340 -0.003 0.000 0.203 569 L C 1.137 177.554 176.870 -0.754 0.000 1.068 569 L CA 0.660 55.029 54.840 -0.785 0.000 0.811 569 L CB 0.078 41.364 42.059 -1.289 0.000 0.989 569 L HN 0.195 nan 8.230 nan 0.000 0.467 570 F N -0.712 119.238 119.950 -0.001 0.000 2.706 570 F HA 0.378 4.903 4.527 -0.003 0.000 0.313 570 F C 1.424 177.286 175.800 0.102 0.000 1.096 570 F CA -0.011 58.040 58.000 0.086 0.000 1.219 570 F CB 0.367 39.473 39.000 0.177 0.000 1.051 570 F HN 0.042 nan 8.300 nan 0.000 0.568 571 G N 2.057 110.916 108.800 0.098 0.000 2.338 571 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.296 571 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.296 571 G C -0.082 174.885 174.900 0.112 0.000 1.040 571 G CA 0.655 45.801 45.100 0.077 0.000 1.004 571 G HN 0.553 nan 8.290 nan 0.000 0.509 572 S N -0.689 115.090 115.700 0.131 0.000 2.550 572 S HA 0.700 5.168 4.470 -0.003 0.000 0.270 572 S C 0.279 174.843 174.600 -0.061 0.000 1.145 572 S CA -0.530 57.702 58.200 0.053 0.000 0.852 572 S CB 1.268 64.535 63.200 0.110 0.000 1.119 572 S HN 1.496 nan 8.310 nan 0.000 0.465 573 I N 1.777 122.246 120.570 -0.169 0.000 2.882 573 I HA 0.555 4.723 4.170 -0.003 0.000 0.286 573 I C 0.829 176.703 176.117 -0.404 0.000 1.139 573 I CA 0.112 61.266 61.300 -0.243 0.000 1.379 573 I CB 0.263 38.086 38.000 -0.294 0.000 1.410 573 I HN 0.805 nan 8.210 nan 0.000 0.594 574 A N 4.760 127.351 122.820 -0.381 0.000 2.308 574 A HA 0.435 4.753 4.320 -0.003 0.000 0.217 574 A C 0.222 177.708 177.584 -0.162 0.000 1.216 574 A CA -0.097 51.794 52.037 -0.243 0.000 0.864 574 A CB -0.459 18.700 19.000 0.266 0.000 0.902 574 A HN 0.808 nan 8.150 nan 0.000 0.499 575 F N -4.474 115.247 119.950 -0.381 0.000 2.665 575 F HA 0.554 5.079 4.527 -0.004 0.000 0.308 575 F C 0.111 175.628 175.800 -0.471 0.000 1.112 575 F CA -1.125 56.586 58.000 -0.481 0.000 0.972 575 F CB 1.005 39.679 39.000 -0.542 0.000 1.295 575 F HN -0.199 nan 8.300 nan 0.000 0.440 576 K N 0.512 120.723 120.400 -0.315 0.000 2.308 576 K HA 0.266 4.584 4.320 -0.003 0.000 0.197 576 K C -0.298 176.093 176.600 -0.349 0.000 1.049 576 K CA 0.351 56.444 56.287 -0.325 0.000 0.991 576 K CB 0.213 32.562 32.500 -0.251 0.000 0.836 576 K HN 0.582 nan 8.250 nan 0.000 0.500 577 N N 0.742 119.189 118.700 -0.422 0.000 2.235 577 N HA 0.323 5.062 4.740 -0.003 0.000 0.293 577 N C -1.466 173.626 175.510 -0.696 0.000 1.083 577 N CA -0.434 52.257 53.050 -0.597 0.000 0.801 577 N CB 3.058 40.941 38.487 -1.008 0.000 1.559 577 N HN -0.261 nan 8.380 nan 0.000 0.472 578 V N 1.598 121.086 119.914 -0.710 0.000 2.925 578 V HA 0.600 4.718 4.120 -0.003 0.000 0.311 578 V C -0.430 175.349 176.094 -0.525 0.000 1.104 578 V CA -0.727 61.068 62.300 -0.842 0.000 0.954 578 V CB 2.566 33.660 31.823 -1.214 0.000 1.022 578 V HN 0.553 nan 8.190 nan 0.000 0.427 579 I N 2.195 122.497 120.570 -0.446 0.000 2.439 579 I HA 0.391 4.559 4.170 -0.003 0.000 0.283 579 I C -0.880 175.253 176.117 0.026 0.000 1.023 579 I CA -0.161 61.032 61.300 -0.179 0.000 1.100 579 I CB 1.758 39.651 38.000 -0.179 0.000 1.238 579 I HN 0.556 nan 8.210 nan 0.000 0.445 580 C N 5.939 125.319 119.300 0.133 0.000 2.239 580 C HA 0.393 4.851 4.460 -0.003 0.000 0.325 580 C C 0.435 175.565 174.990 0.234 0.000 1.231 580 C CA -0.618 58.571 59.018 0.285 0.000 1.652 580 C CB -0.790 27.128 27.740 0.296 0.000 2.284 580 C HN 0.647 nan 8.230 nan 0.000 0.499 581 H N 1.369 120.529 119.070 0.150 0.000 2.482 581 H HA 0.552 5.106 4.556 -0.003 0.000 0.344 581 H C 0.612 176.022 175.328 0.137 0.000 1.151 581 H CA -0.317 55.829 56.048 0.163 0.000 1.300 581 H CB 0.452 30.404 29.762 0.315 0.000 1.494 581 H HN 0.616 nan 8.280 nan 0.000 0.542 582 G N 0.812 109.699 108.800 0.144 0.000 2.394 582 G HA2 0.250 4.208 3.960 -0.003 0.000 0.256 582 G HA3 0.250 4.208 3.960 -0.003 0.000 0.256 582 G C -0.432 174.467 174.900 -0.001 0.000 1.504 582 G CA -0.504 44.630 45.100 0.057 0.000 1.051 582 G HN 0.587 nan 8.290 nan 0.000 0.550 583 L N -0.874 120.374 121.223 0.041 0.000 2.388 583 L HA 0.524 4.862 4.340 -0.003 0.000 0.264 583 L C -0.592 176.323 176.870 0.075 0.000 0.998 583 L CA -0.875 53.989 54.840 0.038 0.000 0.817 583 L CB 2.310 44.383 42.059 0.025 0.000 1.338 583 L HN 0.315 nan 8.230 nan 0.000 0.414 584 I N 4.278 124.895 120.570 0.078 0.000 2.416 584 I HA 0.230 4.398 4.170 -0.003 0.000 0.288 584 I C -0.267 175.921 176.117 0.118 0.000 1.051 584 I CA -0.151 61.210 61.300 0.102 0.000 1.375 584 I CB 0.887 38.922 38.000 0.057 0.000 1.407 584 I HN 0.408 nan 8.210 nan 0.000 0.516 585 L N 4.584 125.895 121.223 0.146 0.000 2.331 585 L HA 0.438 4.777 4.340 -0.003 0.000 0.268 585 L C 0.175 177.124 176.870 0.132 0.000 1.015 585 L CA -0.929 53.983 54.840 0.119 0.000 0.807 585 L CB 1.035 43.154 42.059 0.100 0.000 1.293 585 L HN 0.486 nan 8.230 nan 0.000 0.451 586 D N 0.143 120.595 120.400 0.087 0.000 2.354 586 D HA -0.101 4.537 4.640 -0.003 0.000 0.238 586 D C 0.907 177.236 176.300 0.049 0.000 1.250 586 D CA 0.142 54.181 54.000 0.064 0.000 0.911 586 D CB 0.913 41.737 40.800 0.041 0.000 1.163 586 D HN 0.586 nan 8.370 nan 0.000 0.456 587 E N 0.357 120.563 120.200 0.009 0.000 2.301 587 E HA -0.190 4.158 4.350 -0.003 0.000 0.202 587 E C -0.378 176.223 176.600 0.001 0.000 1.017 587 E CA 1.550 57.933 56.400 -0.027 0.000 0.831 587 E CB 0.155 29.828 29.700 -0.045 0.000 0.742 587 E HN 0.110 nan 8.360 nan 0.000 0.491 588 K N -1.735 118.677 120.400 0.020 0.000 2.604 588 K HA 0.308 4.626 4.320 -0.003 0.000 0.313 588 K C 0.019 176.638 176.600 0.031 0.000 1.206 588 K CA 0.338 56.641 56.287 0.028 0.000 1.059 588 K CB 0.677 33.188 32.500 0.017 0.000 1.363 588 K HN 0.144 nan 8.250 nan 0.000 0.494 589 G N 2.731 111.555 108.800 0.041 0.000 5.219 589 G HA2 -0.335 3.623 3.960 -0.003 0.000 0.267 589 G HA3 -0.335 3.623 3.960 -0.003 0.000 0.267 589 G C 0.002 174.925 174.900 0.039 0.000 1.495 589 G CA -0.055 45.067 45.100 0.037 0.000 0.988 589 G HN 0.484 nan 8.290 nan 0.000 0.707 590 Q N 1.313 121.132 119.800 0.033 0.000 2.450 590 Q HA 0.367 4.705 4.340 -0.003 0.000 0.294 590 Q C 0.385 176.409 176.000 0.039 0.000 1.129 590 Q CA 0.905 56.727 55.803 0.031 0.000 0.970 590 Q CB 0.383 29.136 28.738 0.025 0.000 1.294 590 Q HN 0.544 nan 8.270 nan 0.000 0.453 591 K N 1.550 121.971 120.400 0.034 0.000 2.183 591 K HA 0.248 4.566 4.320 -0.003 0.000 0.274 591 K C -0.456 176.164 176.600 0.033 0.000 1.009 591 K CA -0.291 56.019 56.287 0.038 0.000 0.888 591 K CB 0.706 33.225 32.500 0.030 0.000 1.078 591 K HN 0.503 nan 8.250 nan 0.000 0.459 592 M N 2.448 122.073 119.600 0.042 0.000 2.260 592 M HA -0.021 4.457 4.480 -0.003 0.000 0.348 592 M C 0.045 176.349 176.300 0.008 0.000 1.342 592 M CA 0.874 56.194 55.300 0.034 0.000 1.040 592 M CB 0.718 33.350 32.600 0.054 0.000 1.810 592 M HN 0.570 nan 8.290 nan 0.000 0.453 593 S N 1.644 117.343 115.700 -0.001 0.000 2.579 593 S HA 0.400 4.868 4.470 -0.003 0.000 0.272 593 S C 0.397 174.984 174.600 -0.022 0.000 1.141 593 S CA -0.964 57.226 58.200 -0.017 0.000 0.843 593 S CB 1.522 64.716 63.200 -0.010 0.000 1.122 593 S HN 0.778 nan 8.310 nan 0.000 0.468 594 K N 1.187 121.567 120.400 -0.034 0.000 2.062 594 K HA 0.000 4.318 4.320 -0.003 0.000 0.205 594 K C 2.051 178.638 176.600 -0.022 0.000 1.051 594 K CA 1.608 57.875 56.287 -0.034 0.000 0.941 594 K CB -0.527 31.945 32.500 -0.046 0.000 0.719 594 K HN 0.553 nan 8.250 nan 0.000 0.440 595 S N 1.575 117.263 115.700 -0.020 0.000 2.355 595 S HA -0.072 4.397 4.470 -0.003 0.000 0.222 595 S C 2.087 176.682 174.600 -0.009 0.000 1.031 595 S CA 0.659 58.851 58.200 -0.014 0.000 0.993 595 S CB -0.197 62.995 63.200 -0.013 0.000 0.859 595 S HN 0.070 nan 8.310 nan 0.000 0.453 596 K N 1.450 121.847 120.400 -0.006 0.000 2.209 596 K HA 0.011 4.329 4.320 -0.003 0.000 0.204 596 K C 1.538 178.137 176.600 -0.001 0.000 1.048 596 K CA 0.907 57.194 56.287 -0.001 0.000 0.940 596 K CB -1.192 31.309 32.500 0.003 0.000 0.729 596 K HN 0.724 nan 8.250 nan 0.000 0.451 597 G N 2.274 111.073 108.800 -0.003 0.000 2.179 597 G HA2 -0.282 3.677 3.960 -0.003 0.000 0.257 597 G HA3 -0.282 3.677 3.960 -0.003 0.000 0.257 597 G C 0.313 175.215 174.900 0.004 0.000 1.010 597 G CA 0.727 45.826 45.100 -0.001 0.000 0.736 597 G HN 0.502 nan 8.290 nan 0.000 0.513 598 N N -0.261 118.444 118.700 0.008 0.000 2.280 598 N HA 0.107 4.846 4.740 -0.003 0.000 0.192 598 N C 0.968 176.494 175.510 0.026 0.000 1.109 598 N CA 0.666 53.724 53.050 0.015 0.000 0.855 598 N CB -0.235 38.262 38.487 0.017 0.000 0.974 598 N HN 1.032 nan 8.380 nan 0.000 0.482 599 V N -0.260 119.669 119.914 0.024 0.000 2.493 599 V HA 0.195 4.313 4.120 -0.003 0.000 0.292 599 V C 0.274 176.401 176.094 0.056 0.000 1.016 599 V CA -0.799 61.524 62.300 0.037 0.000 1.097 599 V CB 0.345 32.174 31.823 0.010 0.000 0.947 599 V HN -0.066 nan 8.190 nan 0.000 0.479 600 V N 5.462 125.435 119.914 0.098 0.000 2.348 600 V HA 0.271 4.389 4.120 -0.003 0.000 0.270 600 V C 0.455 176.639 176.094 0.150 0.000 1.037 600 V CA -0.318 62.052 62.300 0.117 0.000 0.872 600 V CB 0.940 32.847 31.823 0.140 0.000 1.002 600 V HN 1.036 nan 8.190 nan 0.000 0.464 601 D N 8.122 128.596 120.400 0.123 0.000 2.390 601 D HA 0.117 4.755 4.640 -0.003 0.000 0.249 601 D C -1.139 175.270 176.300 0.181 0.000 1.144 601 D CA -1.542 52.539 54.000 0.136 0.000 0.880 601 D CB 2.237 43.125 40.800 0.147 0.000 1.182 601 D HN 0.242 nan 8.370 nan 0.000 0.451 602 P HA -0.182 nan 4.420 nan 0.000 0.216 602 P C 1.295 178.677 177.300 0.135 0.000 1.153 602 P CA 1.286 64.462 63.100 0.126 0.000 0.858 602 P CB -0.148 31.577 31.700 0.041 0.000 0.789 603 W N 0.850 122.229 121.300 0.132 0.000 2.341 603 W HA -0.139 4.519 4.660 -0.003 0.000 0.283 603 W C 2.272 178.845 176.519 0.090 0.000 1.215 603 W CA 1.001 58.415 57.345 0.115 0.000 1.211 603 W CB -0.923 28.587 29.460 0.083 0.000 1.131 603 W HN 0.025 nan 8.180 nan 0.000 0.552 604 D N 0.021 120.598 120.400 0.296 0.000 2.117 604 D HA -0.174 4.464 4.640 -0.003 0.000 0.197 604 D C 2.041 178.456 176.300 0.192 0.000 0.987 604 D CA 1.431 55.549 54.000 0.197 0.000 0.829 604 D CB -0.114 40.770 40.800 0.138 0.000 0.961 604 D HN 0.082 nan 8.370 nan 0.000 0.460 605 I N 1.065 121.756 120.570 0.202 0.000 2.286 605 I HA -0.146 4.023 4.170 -0.003 0.000 0.245 605 I C 2.639 178.903 176.117 0.245 0.000 1.104 605 I CA 0.573 62.022 61.300 0.248 0.000 1.397 605 I CB -1.076 37.024 38.000 0.166 0.000 1.072 605 I HN 0.014 nan 8.210 nan 0.000 0.417 606 I N 1.423 122.085 120.570 0.153 0.000 2.264 606 I HA -0.335 3.834 4.170 -0.003 0.000 0.248 606 I C 2.860 179.050 176.117 0.122 0.000 1.111 606 I CA 1.617 62.968 61.300 0.085 0.000 1.382 606 I CB -0.374 37.595 38.000 -0.051 0.000 1.060 606 I HN 0.324 nan 8.210 nan 0.000 0.418 607 R N 1.304 121.910 120.500 0.176 0.000 2.090 607 R HA -0.091 4.248 4.340 -0.003 0.000 0.228 607 R C 2.025 178.329 176.300 0.006 0.000 1.110 607 R CA 1.046 57.217 56.100 0.119 0.000 0.973 607 R CB -0.319 30.064 30.300 0.138 0.000 0.869 607 R HN 0.232 nan 8.270 nan 0.000 0.440 608 K N -0.303 120.077 120.400 -0.033 0.000 2.044 608 K HA 0.041 4.359 4.320 -0.003 0.000 0.204 608 K C 1.138 177.427 176.600 -0.519 0.000 1.049 608 K CA 1.300 57.395 56.287 -0.321 0.000 0.945 608 K CB 0.101 32.330 32.500 -0.452 0.000 0.724 608 K HN 0.199 nan 8.250 nan 0.000 0.440 609 F N -0.396 119.538 119.950 -0.028 0.000 2.746 609 F HA 0.302 4.827 4.527 -0.003 0.000 0.313 609 F C 0.914 176.678 175.800 -0.060 0.000 1.095 609 F CA 0.065 58.033 58.000 -0.053 0.000 1.224 609 F CB 0.905 39.820 39.000 -0.142 0.000 1.060 609 F HN 0.110 nan 8.300 nan 0.000 0.584 610 G N 0.745 109.615 108.800 0.116 0.000 2.710 610 G HA2 0.084 4.042 3.960 -0.003 0.000 0.668 610 G HA3 0.084 4.042 3.960 -0.003 0.000 0.668 610 G C 0.653 175.545 174.900 -0.013 0.000 1.320 610 G CA -0.412 44.696 45.100 0.013 0.000 0.860 610 G HN 0.427 nan 8.290 nan 0.000 0.538 611 A N -1.070 121.689 122.820 -0.102 0.000 1.898 611 A HA 0.145 4.463 4.320 -0.003 0.000 0.214 611 A C 2.023 179.690 177.584 0.137 0.000 1.183 611 A CA 2.386 54.414 52.037 -0.014 0.000 0.622 611 A CB -0.453 18.542 19.000 -0.008 0.000 0.824 611 A HN 0.731 nan 8.150 nan 0.000 0.444 612 D N 0.461 121.003 120.400 0.236 0.000 2.133 612 D HA -0.128 4.510 4.640 -0.003 0.000 0.195 612 D C 2.216 178.731 176.300 0.358 0.000 0.997 612 D CA 1.640 55.883 54.000 0.406 0.000 0.840 612 D CB -0.448 40.669 40.800 0.529 0.000 0.947 612 D HN 0.412 nan 8.370 nan 0.000 0.452 613 A N 0.884 123.727 122.820 0.039 0.000 1.908 613 A HA -0.151 4.167 4.320 -0.003 0.000 0.218 613 A C 2.310 179.922 177.584 0.046 0.000 1.181 613 A CA 1.113 53.028 52.037 -0.203 0.000 0.627 613 A CB -0.883 17.863 19.000 -0.423 0.000 0.818 613 A HN 0.300 nan 8.150 nan 0.000 0.445 614 L N -0.753 120.503 121.223 0.055 0.000 1.970 614 L HA -0.251 4.087 4.340 -0.003 0.000 0.212 614 L C 2.812 179.722 176.870 0.066 0.000 1.071 614 L CA 1.887 56.782 54.840 0.092 0.000 0.751 614 L CB -0.367 41.727 42.059 0.059 0.000 0.889 614 L HN 0.385 nan 8.230 nan 0.000 0.432 615 R N -0.673 119.841 120.500 0.024 0.000 2.103 615 R HA -0.291 4.047 4.340 -0.003 0.000 0.234 615 R C 2.141 178.322 176.300 -0.199 0.000 1.132 615 R CA 2.499 58.500 56.100 -0.165 0.000 0.925 615 R CB -1.076 29.270 30.300 0.078 0.000 0.842 615 R HN 0.644 nan 8.270 nan 0.000 0.430 616 W N 0.858 122.219 121.300 0.101 0.000 2.290 616 W HA -0.382 4.277 4.660 -0.002 0.000 0.328 616 W C 2.071 178.684 176.519 0.158 0.000 1.272 616 W CA 1.945 59.473 57.345 0.305 0.000 1.262 616 W CB -0.687 29.087 29.460 0.522 0.000 1.151 616 W HN 0.172 nan 8.180 nan 0.000 0.473 617 Y N 1.388 121.744 120.300 0.093 0.000 1.993 617 Y HA -0.355 4.194 4.550 -0.003 0.000 0.267 617 Y C 2.561 178.385 175.900 -0.127 0.000 1.155 617 Y CA 2.934 61.013 58.100 -0.036 0.000 1.105 617 Y CB -1.154 37.336 38.460 0.050 0.000 0.960 617 Y HN -0.149 nan 8.280 nan 0.000 0.486 618 I N -0.239 120.231 120.570 -0.168 0.000 2.462 618 I HA -0.389 3.780 4.170 -0.003 0.000 0.259 618 I C 1.992 177.977 176.117 -0.220 0.000 1.156 618 I CA 1.723 62.839 61.300 -0.306 0.000 1.417 618 I CB -1.799 35.915 38.000 -0.478 0.000 1.088 618 I HN 0.446 nan 8.210 nan 0.000 0.442 619 Y N -0.517 119.691 120.300 -0.154 0.000 2.205 619 Y HA -0.027 4.521 4.550 -0.003 0.000 0.292 619 Y C 2.571 178.278 175.900 -0.321 0.000 1.119 619 Y CA 0.425 58.438 58.100 -0.146 0.000 1.117 619 Y CB -0.305 38.056 38.460 -0.165 0.000 1.037 619 Y HN -0.128 nan 8.280 nan 0.000 0.510 620 V N -0.773 118.891 119.914 -0.417 0.000 3.306 620 V HA -0.149 3.969 4.120 -0.003 0.000 0.264 620 V C 1.829 177.727 176.094 -0.328 0.000 1.149 620 V CA 1.264 63.284 62.300 -0.467 0.000 1.143 620 V CB -0.381 30.996 31.823 -0.744 0.000 0.767 620 V HN 0.359 nan 8.190 nan 0.000 0.476 621 S N 0.637 116.083 115.700 -0.422 0.000 2.378 621 S HA 0.100 4.568 4.470 -0.003 0.000 0.221 621 S C 0.755 175.225 174.600 -0.217 0.000 1.037 621 S CA 1.431 59.353 58.200 -0.463 0.000 1.069 621 S CB -0.238 62.491 63.200 -0.786 0.000 1.006 621 S HN 1.016 nan 8.310 nan 0.000 0.423 622 A N -0.062 122.673 122.820 -0.142 0.000 2.599 622 A HA 0.616 4.934 4.320 -0.003 0.000 0.294 622 A C -3.196 174.391 177.584 0.006 0.000 1.055 622 A CA -1.417 50.589 52.037 -0.051 0.000 0.683 622 A CB 0.077 19.061 19.000 -0.027 0.000 1.278 622 A HN 0.072 nan 8.150 nan 0.000 0.412 623 P HA 0.043 nan 4.420 nan 0.000 0.269 623 P C -1.872 175.476 177.300 0.079 0.000 1.185 623 P CA -0.213 62.914 63.100 0.045 0.000 0.769 623 P CB 0.194 31.917 31.700 0.037 0.000 0.809 624 P HA -0.254 nan 4.420 nan 0.000 0.216 624 P C 1.121 178.503 177.300 0.137 0.000 1.157 624 P CA 1.753 64.895 63.100 0.070 0.000 0.880 624 P CB -0.123 31.453 31.700 -0.206 0.000 0.791 625 E N 0.273 120.526 120.200 0.088 0.000 2.038 625 E HA -0.069 4.280 4.350 -0.003 0.000 0.195 625 E C 1.252 177.914 176.600 0.103 0.000 1.000 625 E CA 0.949 57.408 56.400 0.099 0.000 0.803 625 E CB -1.280 28.473 29.700 0.089 0.000 0.750 625 E HN 0.198 nan 8.360 nan 0.000 0.448 626 A N 1.310 124.184 122.820 0.091 0.000 2.552 626 A HA -0.003 4.315 4.320 -0.003 0.000 0.241 626 A C -0.400 177.234 177.584 0.083 0.000 1.103 626 A CA 0.346 52.430 52.037 0.078 0.000 0.789 626 A CB 0.012 19.048 19.000 0.060 0.000 1.050 626 A HN 0.081 nan 8.150 nan 0.000 0.515 627 D N 0.295 120.737 120.400 0.070 0.000 2.381 627 D HA 0.495 5.133 4.640 -0.003 0.000 0.235 627 D C 0.184 176.531 176.300 0.079 0.000 1.068 627 D CA -0.282 53.762 54.000 0.074 0.000 0.832 627 D CB 0.995 41.831 40.800 0.060 0.000 1.101 627 D HN 0.553 nan 8.370 nan 0.000 0.515 628 R N 1.326 121.885 120.500 0.100 0.000 2.778 628 R HA 0.636 4.974 4.340 -0.003 0.000 0.277 628 R C -0.714 175.694 176.300 0.180 0.000 0.977 628 R CA -0.917 55.255 56.100 0.120 0.000 0.950 628 R CB 1.077 31.435 30.300 0.096 0.000 1.165 628 R HN 0.168 nan 8.270 nan 0.000 0.474 629 R N 1.146 121.758 120.500 0.187 0.000 2.340 629 R HA 0.266 4.604 4.340 -0.003 0.000 0.300 629 R C -0.802 175.677 176.300 0.299 0.000 1.069 629 R CA -0.135 56.078 56.100 0.190 0.000 0.984 629 R CB 0.294 30.666 30.300 0.119 0.000 1.003 629 R HN 0.497 nan 8.270 nan 0.000 0.459 630 F N 2.289 122.294 119.950 0.091 0.000 2.375 630 F HA 0.640 5.165 4.527 -0.004 0.000 0.361 630 F C -0.034 175.731 175.800 -0.058 0.000 1.117 630 F CA -0.543 57.483 58.000 0.043 0.000 1.037 630 F CB 1.316 40.357 39.000 0.069 0.000 1.192 630 F HN 0.563 nan 8.300 nan 0.000 0.452 631 G N 6.205 114.582 108.800 -0.705 0.000 2.696 631 G HA2 0.406 4.364 3.960 -0.003 0.000 0.295 631 G HA3 0.406 4.364 3.960 -0.003 0.000 0.295 631 G C -2.534 171.962 174.900 -0.674 0.000 1.398 631 G CA -1.445 43.309 45.100 -0.577 0.000 0.920 631 G HN 0.283 nan 8.290 nan 0.000 0.492 632 P HA -0.183 nan 4.420 nan 0.000 0.216 632 P C 1.037 178.155 177.300 -0.302 0.000 1.150 632 P CA 1.248 64.145 63.100 -0.339 0.000 0.843 632 P CB 0.344 31.997 31.700 -0.078 0.000 0.787 633 N N -0.580 117.996 118.700 -0.207 0.000 2.188 633 N HA -0.092 4.646 4.740 -0.003 0.000 0.184 633 N C 1.703 177.095 175.510 -0.196 0.000 1.018 633 N CA 0.825 53.797 53.050 -0.131 0.000 0.858 633 N CB -0.805 37.637 38.487 -0.075 0.000 0.989 633 N HN 0.045 nan 8.380 nan 0.000 0.426 634 L N 0.163 121.213 121.223 -0.289 0.000 2.027 634 L HA -0.054 4.284 4.340 -0.003 0.000 0.206 634 L C 2.102 178.728 176.870 -0.405 0.000 1.074 634 L CA 0.986 55.666 54.840 -0.267 0.000 0.745 634 L CB -0.877 41.029 42.059 -0.254 0.000 0.898 634 L HN 0.020 nan 8.230 nan 0.000 0.433 635 V N -0.203 119.258 119.914 -0.755 0.000 2.252 635 V HA -0.360 3.758 4.120 -0.003 0.000 0.249 635 V C 2.720 178.401 176.094 -0.689 0.000 1.056 635 V CA 2.142 63.935 62.300 -0.844 0.000 1.022 635 V CB -0.725 30.408 31.823 -1.150 0.000 0.641 635 V HN 0.484 nan 8.190 nan 0.000 0.445 636 R N -0.095 119.961 120.500 -0.740 0.000 2.127 636 R HA -0.260 4.078 4.340 -0.003 0.000 0.238 636 R C 2.247 178.524 176.300 -0.038 0.000 1.134 636 R CA 2.011 57.996 56.100 -0.191 0.000 0.975 636 R CB -0.206 30.215 30.300 0.201 0.000 0.865 636 R HN 0.566 nan 8.270 nan 0.000 0.447 637 E N -0.214 119.948 120.200 -0.064 0.000 2.085 637 E HA -0.160 4.188 4.350 -0.003 0.000 0.194 637 E C 1.809 178.469 176.600 0.100 0.000 0.994 637 E CA 2.294 58.713 56.400 0.032 0.000 0.801 637 E CB -0.093 29.628 29.700 0.034 0.000 0.743 637 E HN 0.567 nan 8.360 nan 0.000 0.453 638 T N -2.483 112.142 114.554 0.117 0.000 2.896 638 T HA -0.045 4.303 4.350 -0.003 0.000 0.263 638 T C 2.003 176.860 174.700 0.261 0.000 1.050 638 T CA 0.985 63.249 62.100 0.272 0.000 1.140 638 T CB -0.613 68.507 68.868 0.419 0.000 0.877 638 T HN -0.002 nan 8.240 nan 0.000 0.457 639 V N 1.682 121.626 119.914 0.049 0.000 2.332 639 V HA -0.145 3.973 4.120 -0.003 0.000 0.248 639 V C 3.031 179.229 176.094 0.173 0.000 1.055 639 V CA 1.795 64.072 62.300 -0.039 0.000 1.038 639 V CB -0.765 31.023 31.823 -0.059 0.000 0.651 639 V HN 0.301 nan 8.190 nan 0.000 0.450 640 R N 0.084 120.682 120.500 0.163 0.000 2.115 640 R HA -0.076 4.262 4.340 -0.003 0.000 0.226 640 R C 1.944 178.356 176.300 0.185 0.000 1.100 640 R CA 1.520 57.719 56.100 0.165 0.000 0.980 640 R CB -0.741 29.635 30.300 0.128 0.000 0.875 640 R HN 0.716 nan 8.270 nan 0.000 0.445 641 D N -1.573 118.961 120.400 0.223 0.000 2.085 641 D HA -0.166 4.472 4.640 -0.003 0.000 0.199 641 D C 1.552 178.041 176.300 0.314 0.000 0.981 641 D CA 1.079 55.228 54.000 0.248 0.000 0.834 641 D CB -0.063 40.897 40.800 0.266 0.000 0.992 641 D HN 0.184 nan 8.370 nan 0.000 0.457 642 Y N -0.617 119.830 120.300 0.245 0.000 2.222 642 Y HA 0.094 4.642 4.550 -0.003 0.000 0.290 642 Y C 1.889 177.842 175.900 0.088 0.000 1.123 642 Y CA 0.924 59.118 58.100 0.158 0.000 1.120 642 Y CB -0.789 37.761 38.460 0.151 0.000 1.060 642 Y HN -0.087 nan 8.280 nan 0.000 0.508 643 F N 0.727 120.496 119.950 -0.302 0.000 2.115 643 F HA -0.296 4.229 4.527 -0.003 0.000 0.300 643 F C 2.358 178.136 175.800 -0.037 0.000 1.092 643 F CA 1.750 59.532 58.000 -0.364 0.000 1.245 643 F CB -1.104 37.668 39.000 -0.379 0.000 0.995 643 F HN 0.097 nan 8.300 nan 0.000 0.481 644 L N -1.121 120.259 121.223 0.262 0.000 1.988 644 L HA -0.209 4.129 4.340 -0.003 0.000 0.207 644 L C 2.405 179.392 176.870 0.196 0.000 1.071 644 L CA 1.830 56.824 54.840 0.257 0.000 0.744 644 L CB -1.362 40.816 42.059 0.199 0.000 0.893 644 L HN 0.091 nan 8.230 nan 0.000 0.433 645 T N 0.632 115.254 114.554 0.114 0.000 2.721 645 T HA -0.246 4.102 4.350 -0.003 0.000 0.268 645 T C 1.771 176.491 174.700 0.034 0.000 1.038 645 T CA 1.729 63.871 62.100 0.071 0.000 1.145 645 T CB -0.295 68.613 68.868 0.067 0.000 0.858 645 T HN 0.116 nan 8.240 nan 0.000 0.459 646 L N 0.308 121.497 121.223 -0.057 0.000 1.988 646 L HA 0.062 4.400 4.340 -0.003 0.000 0.207 646 L C 2.176 179.093 176.870 0.078 0.000 1.071 646 L CA 1.680 56.456 54.840 -0.107 0.000 0.744 646 L CB -0.906 40.920 42.059 -0.388 0.000 0.893 646 L HN 0.445 nan 8.230 nan 0.000 0.433 647 W N 0.837 122.141 121.300 0.006 0.000 2.331 647 W HA -0.315 4.343 4.660 -0.003 0.000 0.291 647 W C 2.387 179.016 176.519 0.183 0.000 1.214 647 W CA 1.994 59.448 57.345 0.182 0.000 1.228 647 W CB -0.411 29.174 29.460 0.209 0.000 1.135 647 W HN 0.527 nan 8.180 nan 0.000 0.537 648 N N 0.880 119.750 118.700 0.284 0.000 2.047 648 N HA -0.193 4.545 4.740 -0.003 0.000 0.193 648 N C 1.746 177.297 175.510 0.068 0.000 1.055 648 N CA 2.228 55.370 53.050 0.152 0.000 0.847 648 N CB -1.071 37.478 38.487 0.103 0.000 1.038 648 N HN 0.035 nan 8.380 nan 0.000 0.427 649 V N 0.952 120.894 119.914 0.047 0.000 3.284 649 V HA -0.164 3.954 4.120 -0.003 0.000 0.273 649 V C 1.769 177.924 176.094 0.102 0.000 1.178 649 V CA 1.384 63.710 62.300 0.044 0.000 1.177 649 V CB -1.097 30.728 31.823 0.004 0.000 0.793 649 V HN 0.474 nan 8.190 nan 0.000 0.536 650 Y N 0.119 120.354 120.300 -0.109 0.000 2.343 650 Y HA 0.107 4.655 4.550 -0.003 0.000 0.294 650 Y C 2.641 178.416 175.900 -0.209 0.000 1.122 650 Y CA 1.687 59.661 58.100 -0.209 0.000 1.173 650 Y CB -0.443 37.790 38.460 -0.379 0.000 1.077 650 Y HN 0.232 nan 8.280 nan 0.000 0.542 651 S N -0.055 115.400 115.700 -0.408 0.000 2.423 651 S HA -0.166 4.302 4.470 -0.003 0.000 0.231 651 S C 1.993 176.455 174.600 -0.231 0.000 1.014 651 S CA 1.119 59.054 58.200 -0.441 0.000 0.965 651 S CB -0.937 62.121 63.200 -0.237 0.000 0.785 651 S HN 0.519 nan 8.310 nan 0.000 0.495 652 F N 1.508 121.281 119.950 -0.296 0.000 2.102 652 F HA -0.007 4.518 4.527 -0.003 0.000 0.298 652 F C 1.680 177.241 175.800 -0.398 0.000 1.105 652 F CA 1.560 59.314 58.000 -0.409 0.000 1.239 652 F CB -0.926 37.832 39.000 -0.403 0.000 0.991 652 F HN 0.358 nan 8.300 nan 0.000 0.474 653 F N 0.536 120.177 119.950 -0.515 0.000 2.031 653 F HA -0.176 4.349 4.527 -0.003 0.000 0.295 653 F C 2.262 177.884 175.800 -0.298 0.000 1.133 653 F CA 2.139 59.830 58.000 -0.515 0.000 1.188 653 F CB -1.071 37.770 39.000 -0.264 0.000 0.974 653 F HN -0.151 nan 8.300 nan 0.000 0.473 654 V N 0.396 120.159 119.914 -0.253 0.000 2.220 654 V HA -0.439 3.679 4.120 -0.003 0.000 0.250 654 V C 2.350 178.357 176.094 -0.144 0.000 1.056 654 V CA 2.675 64.832 62.300 -0.238 0.000 1.016 654 V CB -1.488 30.135 31.823 -0.332 0.000 0.639 654 V HN 0.506 nan 8.190 nan 0.000 0.446 655 T N -1.001 113.462 114.554 -0.150 0.000 2.565 655 T HA -0.308 4.040 4.350 -0.003 0.000 0.265 655 T C 1.651 176.426 174.700 0.125 0.000 1.082 655 T CA 2.542 64.638 62.100 -0.007 0.000 1.173 655 T CB -0.602 68.288 68.868 0.038 0.000 0.864 655 T HN 0.588 nan 8.240 nan 0.000 0.425 656 Y N 0.598 120.752 120.300 -0.243 0.000 2.571 656 Y HA 0.142 4.690 4.550 -0.003 0.000 0.294 656 Y C 2.589 178.543 175.900 0.090 0.000 1.141 656 Y CA -0.212 57.831 58.100 -0.095 0.000 1.308 656 Y CB -0.135 38.198 38.460 -0.211 0.000 1.002 656 Y HN 0.251 nan 8.280 nan 0.000 0.551 657 A N 0.299 123.186 122.820 0.111 0.000 1.975 657 A HA -0.109 4.209 4.320 -0.003 0.000 0.215 657 A C 1.612 179.138 177.584 -0.097 0.000 1.170 657 A CA 0.903 52.925 52.037 -0.023 0.000 0.656 657 A CB -0.316 18.546 19.000 -0.230 0.000 0.821 657 A HN 0.282 nan 8.150 nan 0.000 0.449 658 N N -0.106 118.574 118.700 -0.035 0.000 2.521 658 N HA 0.067 4.805 4.740 -0.003 0.000 0.188 658 N C 0.996 176.468 175.510 -0.064 0.000 1.146 658 N CA 0.420 53.430 53.050 -0.066 0.000 0.893 658 N CB 0.138 38.608 38.487 -0.029 0.000 0.975 658 N HN 0.345 nan 8.380 nan 0.000 0.451 659 L N -0.210 120.986 121.223 -0.046 0.000 2.864 659 L HA 0.167 4.505 4.340 -0.003 0.000 0.177 659 L C -0.094 176.729 176.870 -0.080 0.000 1.341 659 L CA 0.533 55.353 54.840 -0.033 0.000 0.892 659 L CB -1.094 40.976 42.059 0.019 0.000 1.290 659 L HN -0.076 nan 8.230 nan 0.000 0.545 660 D N 2.081 122.430 120.400 -0.085 0.000 2.826 660 D HA -0.000 4.638 4.640 -0.003 0.000 0.229 660 D C 0.059 176.153 176.300 -0.342 0.000 1.091 660 D CA 0.012 53.900 54.000 -0.187 0.000 1.061 660 D CB -0.310 40.389 40.800 -0.168 0.000 1.155 660 D HN -0.052 nan 8.370 nan 0.000 0.450 661 R N 2.564 122.917 120.500 -0.246 0.000 3.563 661 R HA -0.024 4.315 4.340 -0.003 0.000 0.297 661 R C -2.031 174.099 176.300 -0.283 0.000 0.645 661 R CA -0.358 55.586 56.100 -0.260 0.000 1.048 661 R CB -1.135 29.050 30.300 -0.192 0.000 0.914 661 R HN 0.344 nan 8.270 nan 0.000 0.358 662 P HA 0.155 nan 4.420 nan 0.000 0.285 662 P C -0.626 176.574 177.300 -0.166 0.000 1.269 662 P CA -0.578 62.362 63.100 -0.266 0.000 0.844 662 P CB 1.125 32.630 31.700 -0.325 0.000 1.094 663 D N 1.204 121.542 120.400 -0.104 0.000 2.896 663 D HA 0.127 4.765 4.640 -0.003 0.000 0.240 663 D C 1.406 177.669 176.300 -0.062 0.000 1.193 663 D CA -0.165 53.786 54.000 -0.082 0.000 0.983 663 D CB -0.759 40.008 40.800 -0.055 0.000 1.074 663 D HN 0.195 nan 8.370 nan 0.000 0.496 664 L N 0.725 121.887 121.223 -0.101 0.000 2.129 664 L HA -0.232 4.106 4.340 -0.003 0.000 0.212 664 L C 2.238 179.062 176.870 -0.077 0.000 1.087 664 L CA 1.132 55.893 54.840 -0.131 0.000 0.757 664 L CB -0.290 41.550 42.059 -0.365 0.000 0.896 664 L HN 0.217 nan 8.230 nan 0.000 0.434 665 K N -0.020 120.339 120.400 -0.069 0.000 2.057 665 K HA -0.060 4.258 4.320 -0.003 0.000 0.207 665 K C 0.497 177.093 176.600 -0.006 0.000 1.049 665 K CA 0.885 57.154 56.287 -0.029 0.000 0.931 665 K CB -0.046 32.432 32.500 -0.036 0.000 0.714 665 K HN 0.312 nan 8.250 nan 0.000 0.440 666 N N 1.679 120.373 118.700 -0.011 0.000 3.012 666 N HA 0.191 4.929 4.740 -0.003 0.000 0.270 666 N C -2.677 172.841 175.510 0.013 0.000 1.469 666 N CA -0.926 52.126 53.050 0.002 0.000 0.928 666 N CB 1.303 39.786 38.487 -0.007 0.000 1.219 666 N HN 0.146 nan 8.380 nan 0.000 0.492 667 P HA 0.393 nan 4.420 nan 0.000 0.281 667 P C -2.721 174.609 177.300 0.050 0.000 1.249 667 P CA -1.222 61.911 63.100 0.055 0.000 0.810 667 P CB 0.484 32.235 31.700 0.084 0.000 1.008 668 P HA 0.298 nan 4.420 nan 0.000 0.271 668 P C -2.327 175.002 177.300 0.049 0.000 1.216 668 P CA -1.131 61.998 63.100 0.048 0.000 0.771 668 P CB -1.095 30.636 31.700 0.051 0.000 0.864 669 P HA -0.037 nan 4.420 nan 0.000 0.267 669 P C -1.819 175.507 177.300 0.043 0.000 1.195 669 P CA -0.635 62.487 63.100 0.037 0.000 0.773 669 P CB -0.457 31.261 31.700 0.030 0.000 0.837 670 P HA -0.196 nan 4.420 nan 0.000 0.218 670 P C 1.015 178.345 177.300 0.049 0.000 1.148 670 P CA 1.489 64.617 63.100 0.045 0.000 0.822 670 P CB 0.001 31.722 31.700 0.034 0.000 0.784 671 E N 0.278 120.503 120.200 0.042 0.000 2.038 671 E HA -0.192 4.156 4.350 -0.003 0.000 0.195 671 E C 1.767 178.394 176.600 0.045 0.000 1.000 671 E CA 1.418 57.843 56.400 0.042 0.000 0.803 671 E CB -0.855 28.865 29.700 0.034 0.000 0.750 671 E HN 0.288 nan 8.360 nan 0.000 0.448 672 K N 0.361 120.786 120.400 0.042 0.000 2.283 672 K HA -0.011 4.307 4.320 -0.003 0.000 0.202 672 K C 0.393 177.024 176.600 0.051 0.000 1.048 672 K CA 0.323 56.635 56.287 0.041 0.000 0.948 672 K CB 0.049 32.571 32.500 0.036 0.000 0.742 672 K HN -0.046 nan 8.250 nan 0.000 0.458 673 R N 1.460 121.997 120.500 0.061 0.000 2.679 673 R HA 0.098 4.437 4.340 -0.003 0.000 0.268 673 R C -2.261 174.087 176.300 0.081 0.000 1.044 673 R CA -1.971 54.176 56.100 0.077 0.000 1.105 673 R CB -0.694 29.660 30.300 0.090 0.000 0.989 673 R HN -0.031 nan 8.270 nan 0.000 0.447 674 P HA -0.025 nan 4.420 nan 0.000 0.273 674 P C 0.388 177.754 177.300 0.110 0.000 1.258 674 P CA 0.002 63.151 63.100 0.082 0.000 0.802 674 P CB 0.526 32.270 31.700 0.072 0.000 1.040 675 E N -0.623 119.639 120.200 0.103 0.000 2.046 675 E HA -0.147 4.202 4.350 -0.003 0.000 0.190 675 E C 1.789 178.511 176.600 0.203 0.000 0.982 675 E CA 1.267 57.745 56.400 0.129 0.000 0.800 675 E CB -0.816 28.939 29.700 0.092 0.000 0.756 675 E HN 0.305 nan 8.360 nan 0.000 0.449 676 M N 1.130 120.844 119.600 0.190 0.000 2.106 676 M HA -0.196 4.282 4.480 -0.003 0.000 0.259 676 M C 0.942 177.532 176.300 0.483 0.000 1.068 676 M CA 1.691 57.168 55.300 0.296 0.000 1.100 676 M CB -0.119 32.569 32.600 0.147 0.000 1.351 676 M HN 0.015 nan 8.290 nan 0.000 0.404 677 D N -1.033 119.581 120.400 0.356 0.000 2.123 677 D HA -0.123 4.515 4.640 -0.003 0.000 0.200 677 D C 2.107 178.519 176.300 0.187 0.000 0.976 677 D CA 1.000 55.181 54.000 0.301 0.000 0.831 677 D CB -0.398 40.543 40.800 0.235 0.000 0.974 677 D HN 0.413 nan 8.370 nan 0.000 0.469 678 R N -0.059 120.553 120.500 0.188 0.000 2.139 678 R HA -0.178 4.160 4.340 -0.003 0.000 0.243 678 R C 2.130 178.532 176.300 0.169 0.000 1.145 678 R CA 1.266 57.453 56.100 0.145 0.000 0.976 678 R CB -0.227 30.159 30.300 0.143 0.000 0.866 678 R HN 0.305 nan 8.270 nan 0.000 0.449 679 W N 0.757 122.120 121.300 0.105 0.000 2.413 679 W HA -0.180 4.478 4.660 -0.003 0.000 0.315 679 W C 1.648 178.237 176.519 0.117 0.000 1.186 679 W CA 0.741 58.156 57.345 0.117 0.000 1.326 679 W CB -0.815 28.738 29.460 0.155 0.000 1.153 679 W HN 0.014 nan 8.180 nan 0.000 0.489 680 L N 1.132 121.952 121.223 -0.671 0.000 2.189 680 L HA -0.175 4.163 4.340 -0.003 0.000 0.214 680 L C 2.216 178.789 176.870 -0.494 0.000 1.097 680 L CA 1.869 56.102 54.840 -1.011 0.000 0.764 680 L CB -0.813 40.822 42.059 -0.706 0.000 0.900 680 L HN 0.211 nan 8.230 nan 0.000 0.436 681 L N -1.399 119.660 121.223 -0.273 0.000 2.179 681 L HA -0.057 4.281 4.340 -0.003 0.000 0.208 681 L C 2.517 179.292 176.870 -0.158 0.000 1.096 681 L CA 0.889 55.626 54.840 -0.170 0.000 0.779 681 L CB -0.723 41.289 42.059 -0.079 0.000 0.922 681 L HN 0.351 nan 8.230 nan 0.000 0.443 682 A N 0.084 122.815 122.820 -0.147 0.000 1.970 682 A HA -0.181 4.137 4.320 -0.003 0.000 0.216 682 A C 2.304 179.820 177.584 -0.114 0.000 1.170 682 A CA 1.142 53.132 52.037 -0.079 0.000 0.645 682 A CB -0.315 18.696 19.000 0.018 0.000 0.816 682 A HN 0.255 nan 8.150 nan 0.000 0.447 683 R N -0.148 120.198 120.500 -0.257 0.000 2.092 683 R HA 0.046 4.384 4.340 -0.003 0.000 0.231 683 R C 1.877 178.096 176.300 -0.136 0.000 1.119 683 R CA 1.954 57.946 56.100 -0.180 0.000 0.970 683 R CB -0.608 29.445 30.300 -0.411 0.000 0.864 683 R HN 0.515 nan 8.270 nan 0.000 0.440 684 M N 0.195 119.658 119.600 -0.228 0.000 2.296 684 M HA -0.129 4.349 4.480 -0.003 0.000 0.265 684 M C 1.739 177.882 176.300 -0.261 0.000 1.064 684 M CA 1.261 56.345 55.300 -0.361 0.000 1.109 684 M CB -0.045 32.345 32.600 -0.350 0.000 1.396 684 M HN 0.081 nan 8.290 nan 0.000 0.430 685 Q N 0.139 119.840 119.800 -0.165 0.000 2.172 685 Q HA -0.147 4.191 4.340 -0.003 0.000 0.200 685 Q C 1.521 177.471 176.000 -0.083 0.000 0.964 685 Q CA 1.382 57.118 55.803 -0.113 0.000 0.855 685 Q CB -0.572 28.124 28.738 -0.069 0.000 0.918 685 Q HN 0.506 nan 8.270 nan 0.000 0.444 686 D N 0.713 121.074 120.400 -0.065 0.000 2.075 686 D HA -0.150 4.488 4.640 -0.003 0.000 0.196 686 D C 1.948 178.221 176.300 -0.046 0.000 0.985 686 D CA 0.722 54.709 54.000 -0.023 0.000 0.834 686 D CB -0.243 40.570 40.800 0.021 0.000 0.987 686 D HN 0.128 nan 8.370 nan 0.000 0.452 687 L N 0.703 121.870 121.223 -0.094 0.000 2.085 687 L HA -0.222 4.116 4.340 -0.003 0.000 0.218 687 L C 2.327 179.122 176.870 -0.125 0.000 1.080 687 L CA 1.767 56.522 54.840 -0.142 0.000 0.776 687 L CB -0.649 41.179 42.059 -0.384 0.000 0.891 687 L HN 0.252 nan 8.230 nan 0.000 0.437 688 I N -1.177 119.301 120.570 -0.152 0.000 2.226 688 I HA -0.312 3.856 4.170 -0.003 0.000 0.245 688 I C 2.541 178.666 176.117 0.013 0.000 1.100 688 I CA 1.504 62.741 61.300 -0.105 0.000 1.374 688 I CB -0.441 37.466 38.000 -0.156 0.000 1.057 688 I HN 0.453 nan 8.210 nan 0.000 0.413 689 Q N 0.502 120.304 119.800 0.004 0.000 2.016 689 Q HA -0.177 4.161 4.340 -0.003 0.000 0.200 689 Q C 2.392 178.419 176.000 0.044 0.000 0.978 689 Q CA 1.318 57.143 55.803 0.038 0.000 0.833 689 Q CB -0.197 28.555 28.738 0.022 0.000 0.895 689 Q HN 0.465 nan 8.270 nan 0.000 0.427 690 R N 0.248 120.762 120.500 0.024 0.000 2.103 690 R HA -0.164 4.174 4.340 -0.003 0.000 0.234 690 R C 2.421 178.736 176.300 0.026 0.000 1.132 690 R CA 1.760 57.872 56.100 0.020 0.000 0.925 690 R CB -0.921 29.388 30.300 0.014 0.000 0.842 690 R HN 0.081 nan 8.270 nan 0.000 0.430 691 V N 0.939 120.875 119.914 0.036 0.000 2.317 691 V HA -0.317 3.802 4.120 -0.003 0.000 0.251 691 V C 2.220 178.379 176.094 0.108 0.000 1.065 691 V CA 2.415 64.761 62.300 0.076 0.000 1.049 691 V CB -0.731 31.168 31.823 0.125 0.000 0.651 691 V HN 0.526 nan 8.190 nan 0.000 0.450 692 T N -1.067 113.591 114.554 0.172 0.000 2.812 692 T HA -0.168 4.180 4.350 -0.003 0.000 0.264 692 T C 1.818 176.513 174.700 -0.008 0.000 1.042 692 T CA 1.423 63.620 62.100 0.160 0.000 1.140 692 T CB -0.225 68.830 68.868 0.312 0.000 0.870 692 T HN 0.564 nan 8.240 nan 0.000 0.445 693 E N 0.958 121.166 120.200 0.014 0.000 2.085 693 E HA -0.153 4.195 4.350 -0.003 0.000 0.194 693 E C 2.534 179.102 176.600 -0.054 0.000 0.994 693 E CA 1.102 57.495 56.400 -0.012 0.000 0.801 693 E CB -0.212 29.493 29.700 0.009 0.000 0.743 693 E HN 0.483 nan 8.360 nan 0.000 0.453 694 A N 1.024 123.810 122.820 -0.058 0.000 1.877 694 A HA -0.164 4.154 4.320 -0.003 0.000 0.216 694 A C 2.161 179.664 177.584 -0.134 0.000 1.186 694 A CA 1.149 53.147 52.037 -0.065 0.000 0.620 694 A CB -0.647 18.326 19.000 -0.046 0.000 0.822 694 A HN 0.163 nan 8.150 nan 0.000 0.443 695 L N -0.998 120.049 121.223 -0.293 0.000 2.291 695 L HA -0.095 4.243 4.340 -0.003 0.000 0.214 695 L C 2.404 178.935 176.870 -0.566 0.000 1.120 695 L CA 1.295 55.809 54.840 -0.543 0.000 0.799 695 L CB -0.446 40.895 42.059 -1.198 0.000 0.925 695 L HN 0.354 nan 8.230 nan 0.000 0.446 696 E N 0.953 120.906 120.200 -0.411 0.000 2.347 696 E HA -0.063 4.285 4.350 -0.003 0.000 0.196 696 E C 1.346 177.795 176.600 -0.250 0.000 1.008 696 E CA 0.788 57.005 56.400 -0.304 0.000 0.852 696 E CB 0.137 29.759 29.700 -0.130 0.000 0.783 696 E HN 0.334 nan 8.360 nan 0.000 0.505 697 A N -0.541 122.183 122.820 -0.161 0.000 2.713 697 A HA 0.210 4.529 4.320 -0.003 0.000 0.296 697 A C -0.654 176.978 177.584 0.081 0.000 1.255 697 A CA -0.524 51.512 52.037 -0.002 0.000 0.955 697 A CB -0.711 18.317 19.000 0.047 0.000 1.149 697 A HN 0.273 nan 8.150 nan 0.000 0.538 698 Y N -0.140 120.103 120.300 -0.094 0.000 3.007 698 Y HA -0.240 4.308 4.550 -0.003 0.000 0.212 698 Y C 0.336 176.251 175.900 0.024 0.000 1.180 698 Y CA 1.110 59.123 58.100 -0.146 0.000 1.076 698 Y CB -1.220 36.998 38.460 -0.402 0.000 1.254 698 Y HN 0.576 nan 8.280 nan 0.000 0.534 699 D N 0.890 121.390 120.400 0.166 0.000 2.464 699 D HA 0.238 4.877 4.640 -0.003 0.000 0.243 699 D C -1.835 174.525 176.300 0.100 0.000 1.104 699 D CA -2.483 51.584 54.000 0.113 0.000 0.883 699 D CB 1.336 42.168 40.800 0.053 0.000 1.050 699 D HN 0.050 nan 8.370 nan 0.000 0.524 700 P HA 0.006 nan 4.420 nan 0.000 0.255 700 P C 0.952 178.277 177.300 0.041 0.000 1.248 700 P CA 0.447 63.586 63.100 0.065 0.000 0.807 700 P CB 0.347 32.148 31.700 0.168 0.000 1.150 701 T N -3.798 110.776 114.554 0.033 0.000 3.015 701 T HA 0.004 4.352 4.350 -0.003 0.000 0.250 701 T C 1.661 176.308 174.700 -0.089 0.000 1.057 701 T CA 1.189 63.271 62.100 -0.030 0.000 1.066 701 T CB -1.083 67.783 68.868 -0.003 0.000 0.959 701 T HN 0.092 nan 8.240 nan 0.000 0.488 702 T N 0.371 114.891 114.554 -0.056 0.000 3.009 702 T HA 0.040 4.389 4.350 -0.003 0.000 0.258 702 T C 2.312 176.961 174.700 -0.085 0.000 1.063 702 T CA 0.985 63.048 62.100 -0.061 0.000 1.139 702 T CB -0.514 68.339 68.868 -0.026 0.000 0.890 702 T HN 0.509 nan 8.240 nan 0.000 0.471 703 S N 2.939 118.588 115.700 -0.085 0.000 2.338 703 S HA 0.101 4.569 4.470 -0.003 0.000 0.218 703 S C 2.541 176.977 174.600 -0.272 0.000 1.032 703 S CA 0.798 58.939 58.200 -0.099 0.000 0.999 703 S CB -1.254 61.941 63.200 -0.009 0.000 0.905 703 S HN 0.671 nan 8.310 nan 0.000 0.439 704 A N 2.528 125.099 122.820 -0.415 0.000 1.903 704 A HA -0.177 4.141 4.320 -0.003 0.000 0.219 704 A C 2.413 179.708 177.584 -0.482 0.000 1.191 704 A CA 1.876 53.464 52.037 -0.749 0.000 0.638 704 A CB -0.809 17.763 19.000 -0.712 0.000 0.823 704 A HN 0.580 nan 8.150 nan 0.000 0.451 705 R N -0.901 119.395 120.500 -0.340 0.000 2.081 705 R HA -0.066 4.272 4.340 -0.003 0.000 0.235 705 R C 2.512 178.760 176.300 -0.087 0.000 1.131 705 R CA 1.156 57.135 56.100 -0.201 0.000 0.960 705 R CB -0.453 29.761 30.300 -0.143 0.000 0.856 705 R HN 0.543 nan 8.270 nan 0.000 0.436 706 A N 1.411 124.182 122.820 -0.081 0.000 1.902 706 A HA -0.157 4.161 4.320 -0.003 0.000 0.217 706 A C 2.064 179.661 177.584 0.022 0.000 1.181 706 A CA 0.963 52.991 52.037 -0.015 0.000 0.623 706 A CB -0.530 18.456 19.000 -0.022 0.000 0.818 706 A HN 0.207 nan 8.150 nan 0.000 0.443 707 L N -0.140 121.055 121.223 -0.046 0.000 1.989 707 L HA -0.174 4.164 4.340 -0.003 0.000 0.211 707 L C 2.586 179.522 176.870 0.111 0.000 1.071 707 L CA 2.353 57.190 54.840 -0.005 0.000 0.749 707 L CB -0.946 41.023 42.059 -0.149 0.000 0.890 707 L HN 0.488 nan 8.230 nan 0.000 0.431 708 R N 0.368 120.902 120.500 0.058 0.000 2.103 708 R HA -0.205 4.133 4.340 -0.003 0.000 0.242 708 R C 1.764 178.181 176.300 0.196 0.000 1.142 708 R CA 2.124 58.281 56.100 0.095 0.000 0.960 708 R CB -0.589 29.789 30.300 0.130 0.000 0.858 708 R HN 0.482 nan 8.270 nan 0.000 0.439 709 D N -0.062 120.423 120.400 0.141 0.000 2.084 709 D HA -0.173 4.465 4.640 -0.003 0.000 0.196 709 D C 1.743 178.130 176.300 0.146 0.000 0.985 709 D CA 1.193 55.272 54.000 0.131 0.000 0.826 709 D CB -0.729 40.130 40.800 0.098 0.000 0.978 709 D HN 0.206 nan 8.370 nan 0.000 0.456 710 F N 2.001 121.987 119.950 0.059 0.000 2.111 710 F HA -0.288 4.237 4.527 -0.003 0.000 0.300 710 F C 2.173 178.014 175.800 0.068 0.000 1.088 710 F CA 1.278 59.306 58.000 0.048 0.000 1.243 710 F CB -0.296 38.702 39.000 -0.004 0.000 0.996 710 F HN -0.206 nan 8.300 nan 0.000 0.483 711 V N -0.252 119.746 119.914 0.140 0.000 2.594 711 V HA -0.232 3.887 4.120 -0.003 0.000 0.253 711 V C 1.663 177.756 176.094 -0.001 0.000 1.069 711 V CA 1.525 63.862 62.300 0.062 0.000 1.082 711 V CB -0.461 31.497 31.823 0.224 0.000 0.680 711 V HN 0.264 nan 8.190 nan 0.000 0.469 712 V N 1.089 121.033 119.914 0.050 0.000 3.252 712 V HA 0.155 4.274 4.120 -0.003 0.000 0.350 712 V C 1.196 177.310 176.094 0.032 0.000 1.329 712 V CA 0.776 63.110 62.300 0.058 0.000 1.258 712 V CB -0.771 31.117 31.823 0.108 0.000 1.208 712 V HN 0.877 nan 8.190 nan 0.000 0.462 713 E N -1.261 118.922 120.200 -0.029 0.000 2.753 713 E HA 0.080 4.428 4.350 -0.003 0.000 0.218 713 E C 0.875 177.486 176.600 0.018 0.000 0.956 713 E CA 0.290 56.712 56.400 0.037 0.000 1.244 713 E CB 0.243 29.964 29.700 0.035 0.000 1.114 713 E HN 0.390 nan 8.360 nan 0.000 0.530 714 D N -0.235 120.074 120.400 -0.153 0.000 2.514 714 D HA 0.082 4.720 4.640 -0.003 0.000 0.249 714 D C 1.269 177.575 176.300 0.010 0.000 1.036 714 D CA 0.100 53.977 54.000 -0.205 0.000 0.911 714 D CB 0.590 41.089 40.800 -0.502 0.000 1.145 714 D HN 0.171 nan 8.370 nan 0.000 0.495 715 L N -0.411 120.810 121.223 -0.004 0.000 3.058 715 L HA 0.238 4.576 4.340 -0.003 0.000 0.179 715 L C 1.775 178.671 176.870 0.043 0.000 1.400 715 L CA 1.205 56.048 54.840 0.005 0.000 1.241 715 L CB -0.583 41.470 42.059 -0.011 0.000 1.515 715 L HN 0.228 nan 8.230 nan 0.000 0.724 716 S N 0.098 115.824 115.700 0.044 0.000 2.360 716 S HA -0.429 4.039 4.470 -0.003 0.000 0.441 716 S C 1.383 176.032 174.600 0.081 0.000 1.096 716 S CA 3.054 61.290 58.200 0.061 0.000 2.457 716 S CB -0.536 62.705 63.200 0.068 0.000 1.862 716 S HN 0.726 nan 8.310 nan 0.000 0.512 717 Q N -1.675 118.213 119.800 0.146 0.000 2.013 717 Q HA 0.260 4.598 4.340 -0.003 0.000 0.233 717 Q C 0.143 176.433 176.000 0.483 0.000 0.834 717 Q CA -0.373 55.559 55.803 0.213 0.000 1.040 717 Q CB 0.247 29.078 28.738 0.155 0.000 1.248 717 Q HN 0.793 nan 8.270 nan 0.000 0.425 718 W N -1.330 119.989 121.300 0.031 0.000 4.478 718 W HA 0.030 4.689 4.660 -0.002 0.000 0.466 718 W C 1.098 177.688 176.519 0.119 0.000 3.462 718 W CA -0.072 57.314 57.345 0.069 0.000 1.151 718 W CB -0.270 29.264 29.460 0.123 0.000 2.118 718 W HN 0.131 nan 8.180 nan 0.000 0.352 719 Y N 1.757 122.155 120.300 0.162 0.000 2.006 719 Y HA -0.293 4.255 4.550 -0.003 0.000 0.266 719 Y C 2.118 178.036 175.900 0.032 0.000 1.133 719 Y CA 2.707 60.849 58.100 0.070 0.000 1.098 719 Y CB -1.050 37.517 38.460 0.179 0.000 0.969 719 Y HN -0.166 nan 8.280 nan 0.000 0.482 720 V N 0.769 120.799 119.914 0.192 0.000 3.140 720 V HA -0.252 3.866 4.120 -0.003 0.000 0.269 720 V C 2.142 178.135 176.094 -0.168 0.000 1.149 720 V CA 2.029 64.319 62.300 -0.016 0.000 1.162 720 V CB -0.651 31.115 31.823 -0.095 0.000 0.756 720 V HN 0.395 nan 8.190 nan 0.000 0.523 721 R N 0.294 120.731 120.500 -0.106 0.000 2.072 721 R HA 0.125 4.463 4.340 -0.003 0.000 0.214 721 R C 2.216 178.424 176.300 -0.155 0.000 1.168 721 R CA 1.044 57.079 56.100 -0.109 0.000 1.020 721 R CB -0.358 29.939 30.300 -0.005 0.000 0.914 721 R HN 0.252 nan 8.270 nan 0.000 0.449 722 R N 0.470 120.812 120.500 -0.263 0.000 2.363 722 R HA 0.195 4.533 4.340 -0.003 0.000 0.236 722 R C -0.162 175.963 176.300 -0.291 0.000 0.966 722 R CA 0.152 56.071 56.100 -0.302 0.000 1.100 722 R CB 0.136 30.138 30.300 -0.497 0.000 1.125 722 R HN 0.254 nan 8.270 nan 0.000 0.514 723 N N -0.418 118.119 118.700 -0.271 0.000 2.143 723 N HA 0.005 4.743 4.740 -0.003 0.000 0.229 723 N C 0.824 176.341 175.510 0.012 0.000 1.294 723 N CA -0.050 52.844 53.050 -0.260 0.000 0.883 723 N CB 0.522 38.644 38.487 -0.608 0.000 1.148 723 N HN 0.131 nan 8.380 nan 0.000 0.511 724 R N 1.861 122.396 120.500 0.058 0.000 2.193 724 R HA -0.042 4.296 4.340 -0.003 0.000 0.229 724 R C 1.997 178.509 176.300 0.354 0.000 1.110 724 R CA 1.190 57.432 56.100 0.237 0.000 0.988 724 R CB 0.213 30.499 30.300 -0.023 0.000 0.871 724 R HN 0.263 nan 8.270 nan 0.000 0.458 725 R N -0.540 120.064 120.500 0.174 0.000 2.119 725 R HA -0.017 4.321 4.340 -0.003 0.000 0.222 725 R C 1.754 178.149 176.300 0.158 0.000 1.088 725 R CA 0.660 56.872 56.100 0.187 0.000 0.984 725 R CB -0.387 29.970 30.300 0.096 0.000 0.884 725 R HN 0.107 nan 8.270 nan 0.000 0.447 726 R N 0.186 120.663 120.500 -0.038 0.000 2.293 726 R HA -0.040 4.298 4.340 -0.003 0.000 0.219 726 R C 0.510 176.677 176.300 -0.221 0.000 1.091 726 R CA 0.975 56.947 56.100 -0.212 0.000 1.004 726 R CB -0.132 29.883 30.300 -0.476 0.000 0.865 726 R HN 0.249 nan 8.270 nan 0.000 0.469 727 F N -1.650 118.471 119.950 0.284 0.000 2.660 727 F HA 0.177 4.702 4.527 -0.003 0.000 0.302 727 F C 0.662 176.805 175.800 0.571 0.000 1.103 727 F CA -0.287 57.936 58.000 0.372 0.000 1.340 727 F CB 0.048 39.179 39.000 0.218 0.000 1.048 727 F HN 0.061 nan 8.300 nan 0.000 0.551 728 W N 1.108 122.568 121.300 0.266 0.000 2.762 728 W HA 0.234 4.892 4.660 -0.003 0.000 0.355 728 W C 1.072 177.621 176.519 0.049 0.000 1.124 728 W CA -1.181 56.236 57.345 0.119 0.000 1.141 728 W CB 1.229 30.764 29.460 0.125 0.000 1.432 728 W HN -0.113 nan 8.180 nan 0.000 0.586 729 K N 0.466 120.541 120.400 -0.541 0.000 2.089 729 K HA -0.348 3.970 4.320 -0.003 0.000 0.210 729 K C 1.343 177.752 176.600 -0.318 0.000 1.048 729 K CA 2.488 58.410 56.287 -0.609 0.000 0.926 729 K CB -1.193 30.676 32.500 -1.052 0.000 0.714 729 K HN 0.570 nan 8.250 nan 0.000 0.448 730 N N 0.633 119.167 118.700 -0.277 0.000 2.242 730 N HA -0.174 4.564 4.740 -0.003 0.000 0.191 730 N C -0.236 175.233 175.510 -0.069 0.000 1.005 730 N CA 0.488 53.461 53.050 -0.129 0.000 0.877 730 N CB 0.021 38.482 38.487 -0.042 0.000 0.983 730 N HN 0.286 nan 8.380 nan 0.000 0.439 731 E N 0.979 121.159 120.200 -0.034 0.000 2.159 731 E HA -0.070 4.279 4.350 -0.003 0.000 0.272 731 E C -0.312 176.269 176.600 -0.031 0.000 1.138 731 E CA 0.277 56.670 56.400 -0.011 0.000 0.915 731 E CB 0.849 30.572 29.700 0.037 0.000 1.028 731 E HN 0.496 nan 8.360 nan 0.000 0.423 732 D N 1.563 121.942 120.400 -0.034 0.000 2.500 732 D HA 0.031 4.670 4.640 -0.003 0.000 0.217 732 D C 0.197 176.482 176.300 -0.025 0.000 1.159 732 D CA -0.334 53.644 54.000 -0.038 0.000 0.828 732 D CB 0.233 41.006 40.800 -0.046 0.000 1.039 732 D HN 0.167 nan 8.370 nan 0.000 0.512 733 A N 1.743 124.553 122.820 -0.016 0.000 2.805 733 A HA 0.375 4.694 4.320 -0.003 0.000 0.301 733 A C 1.493 179.076 177.584 -0.002 0.000 1.557 733 A CA -0.461 51.570 52.037 -0.009 0.000 1.254 733 A CB -0.617 18.378 19.000 -0.007 0.000 1.114 733 A HN 0.265 nan 8.150 nan 0.000 0.553 734 L N 2.515 123.734 121.223 -0.006 0.000 2.167 734 L HA -0.368 3.971 4.340 -0.003 0.000 0.241 734 L C 1.607 178.486 176.870 0.015 0.000 1.123 734 L CA 3.172 58.011 54.840 -0.002 0.000 0.849 734 L CB -0.851 41.205 42.059 -0.006 0.000 0.947 734 L HN 0.674 nan 8.230 nan 0.000 0.449 735 D N -0.932 119.479 120.400 0.018 0.000 2.103 735 D HA -0.219 4.419 4.640 -0.003 0.000 0.190 735 D C 2.299 178.624 176.300 0.042 0.000 0.997 735 D CA 2.103 56.122 54.000 0.032 0.000 0.833 735 D CB -0.235 40.581 40.800 0.027 0.000 0.961 735 D HN 0.380 nan 8.370 nan 0.000 0.447 736 R N 0.376 120.891 120.500 0.025 0.000 2.083 736 R HA -0.152 4.187 4.340 -0.003 0.000 0.237 736 R C 2.185 178.499 176.300 0.023 0.000 1.137 736 R CA 1.339 57.446 56.100 0.012 0.000 0.951 736 R CB -0.141 30.151 30.300 -0.013 0.000 0.851 736 R HN 0.330 nan 8.270 nan 0.000 0.434 737 E N -0.120 120.106 120.200 0.043 0.000 2.130 737 E HA -0.184 4.164 4.350 -0.003 0.000 0.196 737 E C 0.869 177.598 176.600 0.215 0.000 0.998 737 E CA 1.104 57.570 56.400 0.108 0.000 0.806 737 E CB -0.103 29.632 29.700 0.060 0.000 0.738 737 E HN 0.316 nan 8.360 nan 0.000 0.459 738 A N 0.466 123.373 122.820 0.146 0.000 2.711 738 A HA 0.237 4.555 4.320 -0.003 0.000 0.242 738 A C 1.345 179.075 177.584 0.244 0.000 1.607 738 A CA 0.672 52.823 52.037 0.190 0.000 1.370 738 A CB -0.521 18.545 19.000 0.110 0.000 0.934 738 A HN 0.268 nan 8.150 nan 0.000 0.628 739 A N -1.151 121.849 122.820 0.300 0.000 2.169 739 A HA 0.248 4.566 4.320 -0.003 0.000 0.210 739 A C 1.496 179.381 177.584 0.502 0.000 1.168 739 A CA 0.250 52.445 52.037 0.264 0.000 0.813 739 A CB -0.406 18.565 19.000 -0.049 0.000 0.861 739 A HN 0.564 nan 8.150 nan 0.000 0.481 740 Y N 0.483 121.076 120.300 0.487 0.000 2.315 740 Y HA -0.185 4.364 4.550 -0.003 0.000 0.288 740 Y C 2.727 178.977 175.900 0.583 0.000 1.154 740 Y CA 0.646 59.164 58.100 0.697 0.000 1.229 740 Y CB -0.594 38.147 38.460 0.468 0.000 0.980 740 Y HN 0.365 nan 8.280 nan 0.000 0.540 741 A N 0.148 123.278 122.820 0.516 0.000 1.841 741 A HA -0.280 4.038 4.320 -0.003 0.000 0.216 741 A C 2.470 180.231 177.584 0.295 0.000 1.199 741 A CA 2.961 55.216 52.037 0.363 0.000 0.621 741 A CB -1.491 17.653 19.000 0.239 0.000 0.835 741 A HN 0.503 nan 8.150 nan 0.000 0.445 742 T N -1.802 112.887 114.554 0.225 0.000 2.652 742 T HA -0.177 4.171 4.350 -0.003 0.000 0.267 742 T C 1.745 176.445 174.700 0.000 0.000 1.039 742 T CA 1.698 63.846 62.100 0.079 0.000 1.153 742 T CB -0.640 68.253 68.868 0.042 0.000 0.863 742 T HN 0.293 nan 8.240 nan 0.000 0.428 743 L N -0.072 121.224 121.223 0.122 0.000 2.265 743 L HA 0.118 4.456 4.340 -0.003 0.000 0.215 743 L C 2.127 178.792 176.870 -0.342 0.000 1.117 743 L CA 1.186 56.018 54.840 -0.012 0.000 0.782 743 L CB -1.118 41.090 42.059 0.248 0.000 0.914 743 L HN 0.464 nan 8.230 nan 0.000 0.441 744 Y N 0.475 120.557 120.300 -0.362 0.000 2.177 744 Y HA -0.111 4.437 4.550 -0.003 0.000 0.291 744 Y C 2.338 178.042 175.900 -0.327 0.000 1.117 744 Y CA 1.850 59.588 58.100 -0.603 0.000 1.114 744 Y CB -0.278 38.177 38.460 -0.009 0.000 1.017 744 Y HN 0.295 nan 8.280 nan 0.000 0.505 745 E N 0.459 120.561 120.200 -0.165 0.000 2.209 745 E HA -0.208 4.140 4.350 -0.003 0.000 0.196 745 E C 2.163 178.596 176.600 -0.279 0.000 0.993 745 E CA 1.007 57.274 56.400 -0.222 0.000 0.819 745 E CB -0.265 29.410 29.700 -0.041 0.000 0.745 745 E HN 0.578 nan 8.360 nan 0.000 0.477 746 A N 1.168 123.837 122.820 -0.250 0.000 1.826 746 A HA -0.126 4.192 4.320 -0.003 0.000 0.214 746 A C 2.172 179.619 177.584 -0.228 0.000 1.212 746 A CA 0.890 52.811 52.037 -0.194 0.000 0.605 746 A CB -0.829 18.114 19.000 -0.094 0.000 0.861 746 A HN 0.136 nan 8.150 nan 0.000 0.447 747 L N -0.095 120.958 121.223 -0.284 0.000 2.034 747 L HA -0.257 4.081 4.340 -0.003 0.000 0.217 747 L C 2.559 179.234 176.870 -0.325 0.000 1.077 747 L CA 1.603 56.266 54.840 -0.296 0.000 0.769 747 L CB -0.739 41.078 42.059 -0.404 0.000 0.890 747 L HN 0.280 nan 8.230 nan 0.000 0.435 748 V N -0.351 119.289 119.914 -0.457 0.000 2.392 748 V HA -0.296 3.822 4.120 -0.003 0.000 0.249 748 V C 2.331 178.284 176.094 -0.236 0.000 1.059 748 V CA 1.664 63.726 62.300 -0.397 0.000 1.051 748 V CB -0.437 31.029 31.823 -0.595 0.000 0.658 748 V HN 0.327 nan 8.190 nan 0.000 0.455 749 L N -0.086 120.977 121.223 -0.268 0.000 2.005 749 L HA -0.086 4.252 4.340 -0.003 0.000 0.207 749 L C 2.399 179.119 176.870 -0.250 0.000 1.072 749 L CA 1.819 56.497 54.840 -0.270 0.000 0.744 749 L CB -0.669 41.189 42.059 -0.336 0.000 0.895 749 L HN 0.124 nan 8.230 nan 0.000 0.433 750 V N 0.475 120.257 119.914 -0.221 0.000 2.231 750 V HA -0.378 3.740 4.120 -0.003 0.000 0.248 750 V C 2.829 178.851 176.094 -0.119 0.000 1.054 750 V CA 2.014 64.225 62.300 -0.150 0.000 1.015 750 V CB -1.600 30.176 31.823 -0.079 0.000 0.638 750 V HN 0.629 nan 8.190 nan 0.000 0.444 751 A N -0.511 122.235 122.820 -0.123 0.000 1.997 751 A HA -0.290 4.028 4.320 -0.003 0.000 0.221 751 A C 2.324 179.874 177.584 -0.057 0.000 1.172 751 A CA 2.808 54.801 52.037 -0.073 0.000 0.645 751 A CB -0.908 18.075 19.000 -0.028 0.000 0.813 751 A HN 0.591 nan 8.150 nan 0.000 0.454 752 T N -0.245 114.257 114.554 -0.087 0.000 2.894 752 T HA 0.086 4.434 4.350 -0.003 0.000 0.258 752 T C 1.812 176.414 174.700 -0.163 0.000 1.043 752 T CA 1.044 63.047 62.100 -0.161 0.000 1.141 752 T CB -0.268 68.487 68.868 -0.188 0.000 0.873 752 T HN 0.353 nan 8.240 nan 0.000 0.449 753 L N 1.040 122.146 121.223 -0.195 0.000 2.046 753 L HA -0.073 4.265 4.340 -0.003 0.000 0.208 753 L C 3.033 180.087 176.870 0.306 0.000 1.077 753 L CA 1.201 56.000 54.840 -0.069 0.000 0.747 753 L CB -0.634 41.352 42.059 -0.120 0.000 0.896 753 L HN 0.256 nan 8.230 nan 0.000 0.432 754 A N -0.035 122.890 122.820 0.176 0.000 1.972 754 A HA -0.170 4.148 4.320 -0.003 0.000 0.219 754 A C 2.561 180.328 177.584 0.305 0.000 1.169 754 A CA 1.478 53.682 52.037 0.278 0.000 0.635 754 A CB -0.622 18.428 19.000 0.084 0.000 0.810 754 A HN 0.415 nan 8.150 nan 0.000 0.446 755 A N 0.748 123.644 122.820 0.127 0.000 1.906 755 A HA -0.230 4.088 4.320 -0.003 0.000 0.222 755 A C 0.272 177.896 177.584 0.066 0.000 1.282 755 A CA 2.440 54.486 52.037 0.015 0.000 0.675 755 A CB -1.999 16.909 19.000 -0.153 0.000 0.838 755 A HN 0.477 nan 8.150 nan 0.000 0.469 756 P HA -0.058 nan 4.420 nan 0.000 0.220 756 P C 0.845 177.892 177.300 -0.421 0.000 1.148 756 P CA 1.060 63.964 63.100 -0.327 0.000 0.803 756 P CB -0.102 31.242 31.700 -0.593 0.000 0.782 757 F N -0.727 119.239 119.950 0.026 0.000 2.164 757 F HA 0.055 4.580 4.527 -0.003 0.000 0.287 757 F C 1.343 177.361 175.800 0.364 0.000 1.086 757 F CA 1.066 59.167 58.000 0.167 0.000 1.249 757 F CB -1.550 37.593 39.000 0.238 0.000 1.059 757 F HN -0.245 nan 8.300 nan 0.000 0.490 758 T N -0.999 113.853 114.554 0.497 0.000 3.336 758 T HA 0.260 4.609 4.350 -0.003 0.000 0.384 758 T C -1.892 172.986 174.700 0.297 0.000 1.704 758 T CA -2.058 60.279 62.100 0.395 0.000 1.334 758 T CB 0.677 69.702 68.868 0.262 0.000 1.131 758 T HN -0.064 nan 8.240 nan 0.000 0.684 759 P HA -0.176 nan 4.420 nan 0.000 0.217 759 P C 0.881 178.385 177.300 0.341 0.000 1.148 759 P CA 1.086 64.308 63.100 0.203 0.000 0.828 759 P CB -0.005 31.566 31.700 -0.216 0.000 0.783 760 F N -0.484 119.703 119.950 0.396 0.000 2.094 760 F HA -0.011 4.514 4.527 -0.003 0.000 0.291 760 F C 2.646 178.575 175.800 0.214 0.000 1.109 760 F CA 0.540 58.714 58.000 0.291 0.000 1.221 760 F CB -1.563 37.541 39.000 0.174 0.000 1.014 760 F HN -0.224 nan 8.300 nan 0.000 0.473 761 L N 0.584 122.037 121.223 0.384 0.000 2.079 761 L HA -0.174 4.164 4.340 -0.003 0.000 0.210 761 L C 2.377 179.312 176.870 0.108 0.000 1.081 761 L CA 1.793 56.762 54.840 0.215 0.000 0.752 761 L CB -0.955 41.137 42.059 0.056 0.000 0.896 761 L HN 0.116 nan 8.230 nan 0.000 0.433 762 A N -0.757 122.128 122.820 0.107 0.000 1.865 762 A HA -0.285 4.033 4.320 -0.003 0.000 0.217 762 A C 2.235 179.851 177.584 0.053 0.000 1.191 762 A CA 1.851 53.905 52.037 0.028 0.000 0.623 762 A CB -0.815 18.179 19.000 -0.011 0.000 0.826 762 A HN 0.529 nan 8.150 nan 0.000 0.444 763 E N -0.067 120.212 120.200 0.132 0.000 2.049 763 E HA -0.177 4.171 4.350 -0.003 0.000 0.198 763 E C 2.071 178.757 176.600 0.143 0.000 1.007 763 E CA 2.152 58.652 56.400 0.167 0.000 0.809 763 E CB -0.580 29.330 29.700 0.349 0.000 0.749 763 E HN 0.588 nan 8.360 nan 0.000 0.450 764 V N -0.284 119.706 119.914 0.126 0.000 2.255 764 V HA -0.275 3.844 4.120 -0.003 0.000 0.247 764 V C 2.286 178.410 176.094 0.050 0.000 1.051 764 V CA 2.180 64.540 62.300 0.099 0.000 1.018 764 V CB -0.884 31.042 31.823 0.171 0.000 0.641 764 V HN 0.335 nan 8.190 nan 0.000 0.445 765 L N -1.126 120.064 121.223 -0.055 0.000 2.187 765 L HA -0.166 4.172 4.340 -0.003 0.000 0.213 765 L C 2.610 179.483 176.870 0.005 0.000 1.100 765 L CA 2.394 57.115 54.840 -0.198 0.000 0.765 765 L CB -0.648 41.207 42.059 -0.340 0.000 0.904 765 L HN 0.706 nan 8.230 nan 0.000 0.437 766 W N 0.778 122.015 121.300 -0.104 0.000 2.441 766 W HA -0.128 4.531 4.660 -0.003 0.000 0.302 766 W C 2.332 178.849 176.519 -0.003 0.000 1.191 766 W CA 0.735 58.043 57.345 -0.062 0.000 1.327 766 W CB -0.090 29.336 29.460 -0.057 0.000 1.128 766 W HN 0.178 nan 8.180 nan 0.000 0.522 767 Q N 0.536 120.486 119.800 0.251 0.000 2.112 767 Q HA -0.237 4.101 4.340 -0.003 0.000 0.206 767 Q C 1.807 177.855 176.000 0.080 0.000 0.987 767 Q CA 1.789 57.670 55.803 0.130 0.000 0.858 767 Q CB -1.049 27.712 28.738 0.039 0.000 0.905 767 Q HN 0.380 nan 8.270 nan 0.000 0.420 768 N N -0.013 118.746 118.700 0.097 0.000 2.197 768 N HA -0.073 4.665 4.740 -0.003 0.000 0.184 768 N C 1.695 177.306 175.510 0.168 0.000 1.030 768 N CA 0.649 53.789 53.050 0.150 0.000 0.851 768 N CB 0.000 38.596 38.487 0.181 0.000 1.003 768 N HN 0.073 nan 8.380 nan 0.000 0.430 769 L N 0.371 121.619 121.223 0.041 0.000 2.044 769 L HA 0.023 4.361 4.340 -0.003 0.000 0.205 769 L C 2.404 179.325 176.870 0.085 0.000 1.075 769 L CA 0.877 55.721 54.840 0.008 0.000 0.747 769 L CB -0.776 41.191 42.059 -0.154 0.000 0.903 769 L HN -0.024 nan 8.230 nan 0.000 0.435 770 V N -0.932 118.825 119.914 -0.261 0.000 2.379 770 V HA -0.084 4.034 4.120 -0.003 0.000 0.243 770 V C 2.552 178.482 176.094 -0.274 0.000 1.035 770 V CA 1.003 63.018 62.300 -0.476 0.000 1.035 770 V CB -0.446 30.466 31.823 -1.517 0.000 0.673 770 V HN 0.350 nan 8.190 nan 0.000 0.457 771 R N 0.147 120.503 120.500 -0.239 0.000 2.237 771 R HA -0.045 4.293 4.340 -0.003 0.000 0.219 771 R C 2.354 178.678 176.300 0.039 0.000 1.080 771 R CA 1.186 57.256 56.100 -0.050 0.000 0.995 771 R CB -0.462 29.857 30.300 0.032 0.000 0.875 771 R HN 0.481 nan 8.270 nan 0.000 0.462 772 S N 0.262 116.026 115.700 0.107 0.000 2.325 772 S HA -0.047 4.421 4.470 -0.003 0.000 0.214 772 S C 2.174 176.802 174.600 0.047 0.000 1.031 772 S CA 0.901 59.171 58.200 0.116 0.000 0.972 772 S CB -0.172 63.193 63.200 0.275 0.000 0.908 772 S HN 0.005 nan 8.310 nan 0.000 0.453 773 V N 1.795 121.779 119.914 0.117 0.000 2.237 773 V HA -0.101 4.017 4.120 -0.003 0.000 0.245 773 V C 0.763 176.862 176.094 0.008 0.000 1.046 773 V CA 1.588 63.907 62.300 0.031 0.000 1.007 773 V CB -0.564 31.306 31.823 0.079 0.000 0.638 773 V HN 0.328 nan 8.190 nan 0.000 0.445 774 R N 0.986 121.497 120.500 0.019 0.000 3.050 774 R HA 0.361 4.699 4.340 -0.003 0.000 0.275 774 R C 1.163 177.465 176.300 0.003 0.000 1.373 774 R CA -0.094 56.008 56.100 0.004 0.000 1.612 774 R CB 0.090 30.392 30.300 0.003 0.000 1.218 774 R HN 0.522 nan 8.270 nan 0.000 0.621 775 L N -0.701 120.531 121.223 0.015 0.000 2.351 775 L HA -0.112 4.226 4.340 -0.003 0.000 0.220 775 L C 1.309 178.211 176.870 0.054 0.000 1.127 775 L CA 1.354 56.215 54.840 0.035 0.000 0.786 775 L CB -0.252 41.828 42.059 0.036 0.000 0.914 775 L HN 0.364 nan 8.230 nan 0.000 0.443 776 E N 1.646 121.872 120.200 0.044 0.000 2.403 776 E HA 0.221 4.569 4.350 -0.003 0.000 0.187 776 E C 0.577 177.222 176.600 0.074 0.000 1.073 776 E CA 0.308 56.742 56.400 0.057 0.000 0.888 776 E CB -0.147 29.578 29.700 0.042 0.000 1.035 776 E HN 0.558 nan 8.360 nan 0.000 0.471 777 A N 1.209 124.078 122.820 0.080 0.000 2.252 777 A HA 0.377 4.695 4.320 -0.003 0.000 0.305 777 A C 0.278 177.991 177.584 0.215 0.000 1.097 777 A CA -0.649 51.461 52.037 0.121 0.000 0.849 777 A CB 0.595 19.623 19.000 0.046 0.000 1.142 777 A HN -0.002 nan 8.150 nan 0.000 0.499 778 K N 0.626 121.209 120.400 0.304 0.000 2.527 778 K HA -0.026 4.292 4.320 -0.003 0.000 0.278 778 K C 1.052 177.923 176.600 0.452 0.000 0.981 778 K CA 0.510 56.994 56.287 0.328 0.000 1.009 778 K CB 0.342 33.019 32.500 0.295 0.000 0.895 778 K HN 0.789 nan 8.250 nan 0.000 0.493 779 E N 0.410 120.831 120.200 0.369 0.000 2.153 779 E HA -0.125 4.223 4.350 -0.003 0.000 0.194 779 E C 0.422 177.383 176.600 0.603 0.000 0.988 779 E CA 0.901 57.580 56.400 0.465 0.000 0.811 779 E CB 0.163 30.094 29.700 0.385 0.000 0.746 779 E HN 0.390 nan 8.360 nan 0.000 0.466 780 S N -1.072 114.882 115.700 0.424 0.000 2.548 780 S HA 0.216 4.684 4.470 -0.003 0.000 0.286 780 S C 0.921 175.298 174.600 -0.372 0.000 1.098 780 S CA -0.830 57.515 58.200 0.241 0.000 0.930 780 S CB 1.838 65.323 63.200 0.475 0.000 1.070 780 S HN -0.057 nan 8.310 nan 0.000 0.480 781 V N 3.615 122.929 119.914 -1.001 0.000 2.392 781 V HA -0.154 3.964 4.120 -0.003 0.000 0.249 781 V C 1.584 177.209 176.094 -0.783 0.000 1.059 781 V CA 2.014 63.419 62.300 -1.492 0.000 1.051 781 V CB -1.445 29.665 31.823 -1.187 0.000 0.658 781 V HN 0.967 nan 8.190 nan 0.000 0.455 782 H N -0.595 118.326 119.070 -0.249 0.000 2.567 782 H HA 0.143 4.697 4.556 -0.003 0.000 0.281 782 H C 1.504 176.816 175.328 -0.028 0.000 1.055 782 H CA 0.625 56.612 56.048 -0.102 0.000 1.185 782 H CB -0.221 29.550 29.762 0.015 0.000 1.325 782 H HN 0.350 nan 8.280 nan 0.000 0.622 783 L N -1.069 120.131 121.223 -0.039 0.000 2.878 783 L HA 0.359 4.697 4.340 -0.003 0.000 0.253 783 L C 1.167 178.031 176.870 -0.011 0.000 1.135 783 L CA -0.285 54.570 54.840 0.025 0.000 0.943 783 L CB 0.426 42.534 42.059 0.081 0.000 1.307 783 L HN 0.193 nan 8.230 nan 0.000 0.545 784 A N -0.143 122.604 122.820 -0.123 0.000 2.280 784 A HA 0.304 4.623 4.320 -0.003 0.000 0.268 784 A C -0.508 177.059 177.584 -0.027 0.000 1.111 784 A CA -0.213 51.778 52.037 -0.077 0.000 0.814 784 A CB 0.220 19.076 19.000 -0.241 0.000 1.093 784 A HN 0.073 nan 8.150 nan 0.000 0.498 785 D N -0.391 120.014 120.400 0.007 0.000 2.277 785 D HA 0.159 4.797 4.640 -0.003 0.000 0.250 785 D C -0.472 175.855 176.300 0.045 0.000 1.032 785 D CA -0.087 53.931 54.000 0.031 0.000 0.947 785 D CB 0.691 41.506 40.800 0.026 0.000 1.159 785 D HN 0.634 nan 8.370 nan 0.000 0.460 786 W N 3.566 124.801 121.300 -0.109 0.000 2.304 786 W HA 0.146 4.804 4.660 -0.003 0.000 0.313 786 W C -2.088 174.392 176.519 -0.066 0.000 1.323 786 W CA -1.407 55.876 57.345 -0.105 0.000 1.223 786 W CB 0.606 29.967 29.460 -0.165 0.000 1.237 786 W HN 0.192 nan 8.180 nan 0.000 0.535 787 P HA 0.045 nan 4.420 nan 0.000 0.269 787 P C -0.954 176.171 177.300 -0.292 0.000 1.217 787 P CA 0.737 63.585 63.100 -0.420 0.000 0.783 787 P CB 1.339 32.734 31.700 -0.509 0.000 0.898 788 E N -0.364 119.747 120.200 -0.148 0.000 2.378 788 E HA 0.632 4.981 4.350 -0.003 0.000 0.265 788 E C -0.874 175.678 176.600 -0.080 0.000 0.932 788 E CA -1.258 55.105 56.400 -0.062 0.000 0.795 788 E CB 2.073 31.765 29.700 -0.013 0.000 1.296 788 E HN 0.494 nan 8.360 nan 0.000 0.438 789 A N 1.024 123.815 122.820 -0.048 0.000 2.306 789 A HA 0.307 4.625 4.320 -0.003 0.000 0.314 789 A C -0.779 176.783 177.584 -0.036 0.000 1.164 789 A CA -0.435 51.569 52.037 -0.055 0.000 0.822 789 A CB 0.648 19.624 19.000 -0.041 0.000 1.130 789 A HN 0.550 nan 8.150 nan 0.000 0.496 790 D N 2.486 122.862 120.400 -0.040 0.000 2.313 790 D HA 0.430 5.068 4.640 -0.003 0.000 0.239 790 D C -1.764 174.527 176.300 -0.014 0.000 1.142 790 D CA -1.784 52.201 54.000 -0.024 0.000 0.847 790 D CB 1.323 42.108 40.800 -0.025 0.000 1.082 790 D HN 0.124 nan 8.370 nan 0.000 0.480 791 P HA -0.218 nan 4.420 nan 0.000 0.217 791 P C 0.877 178.180 177.300 0.006 0.000 1.148 791 P CA 1.618 64.720 63.100 0.003 0.000 0.834 791 P CB 0.204 31.908 31.700 0.006 0.000 0.783 792 A N -0.595 122.227 122.820 0.004 0.000 1.851 792 A HA -0.189 4.129 4.320 -0.003 0.000 0.216 792 A C 1.836 179.426 177.584 0.010 0.000 1.195 792 A CA 1.855 53.897 52.037 0.008 0.000 0.622 792 A CB -1.662 17.342 19.000 0.007 0.000 0.831 792 A HN 0.124 nan 8.150 nan 0.000 0.444 793 L N -0.026 121.197 121.223 0.000 0.000 2.551 793 L HA 0.187 4.525 4.340 -0.003 0.000 0.228 793 L C 1.374 178.244 176.870 -0.001 0.000 1.153 793 L CA 0.690 55.528 54.840 -0.002 0.000 0.851 793 L CB -0.958 41.088 42.059 -0.022 0.000 0.959 793 L HN 0.320 nan 8.230 nan 0.000 0.451 794 A N -0.063 122.759 122.820 0.003 0.000 2.396 794 A HA 0.240 4.558 4.320 -0.003 0.000 0.279 794 A C -0.008 177.596 177.584 0.033 0.000 1.165 794 A CA -0.079 51.964 52.037 0.010 0.000 0.824 794 A CB -0.153 18.851 19.000 0.008 0.000 1.100 794 A HN 0.138 nan 8.150 nan 0.000 0.516 795 D N 2.683 123.113 120.400 0.051 0.000 2.400 795 D HA 0.175 4.814 4.640 -0.003 0.000 0.272 795 D C 0.910 177.266 176.300 0.095 0.000 1.220 795 D CA -0.256 53.791 54.000 0.078 0.000 0.897 795 D CB 0.788 41.652 40.800 0.106 0.000 1.134 795 D HN 0.675 nan 8.370 nan 0.000 0.507 796 E N 2.240 122.484 120.200 0.073 0.000 2.086 796 E HA -0.267 4.081 4.350 -0.003 0.000 0.205 796 E C 1.713 178.367 176.600 0.090 0.000 1.027 796 E CA 2.239 58.683 56.400 0.074 0.000 0.830 796 E CB 0.107 29.840 29.700 0.055 0.000 0.751 796 E HN 0.489 nan 8.360 nan 0.000 0.456 797 A N 0.255 123.125 122.820 0.083 0.000 1.845 797 A HA -0.170 4.148 4.320 -0.003 0.000 0.215 797 A C 2.242 179.890 177.584 0.107 0.000 1.195 797 A CA 1.684 53.769 52.037 0.081 0.000 0.616 797 A CB -1.116 17.923 19.000 0.066 0.000 0.832 797 A HN 0.401 nan 8.150 nan 0.000 0.443 798 L N 0.254 121.559 121.223 0.137 0.000 2.021 798 L HA -0.183 4.155 4.340 -0.003 0.000 0.215 798 L C 2.400 179.430 176.870 0.266 0.000 1.074 798 L CA 2.315 57.269 54.840 0.189 0.000 0.760 798 L CB -0.699 41.504 42.059 0.240 0.000 0.889 798 L HN 0.189 nan 8.230 nan 0.000 0.433 799 V N -0.157 119.950 119.914 0.320 0.000 2.358 799 V HA -0.264 3.854 4.120 -0.003 0.000 0.246 799 V C 2.799 179.030 176.094 0.229 0.000 1.047 799 V CA 1.548 64.089 62.300 0.401 0.000 1.035 799 V CB -1.544 30.447 31.823 0.281 0.000 0.658 799 V HN 0.621 nan 8.190 nan 0.000 0.452 800 A N -0.338 122.568 122.820 0.143 0.000 1.865 800 A HA -0.320 3.998 4.320 -0.003 0.000 0.217 800 A C 2.209 179.822 177.584 0.047 0.000 1.191 800 A CA 2.264 54.351 52.037 0.083 0.000 0.623 800 A CB -0.568 18.471 19.000 0.065 0.000 0.826 800 A HN 0.642 nan 8.150 nan 0.000 0.444 801 Q N -1.806 118.018 119.800 0.040 0.000 2.002 801 Q HA -0.211 4.127 4.340 -0.003 0.000 0.204 801 Q C 2.140 178.106 176.000 -0.056 0.000 0.988 801 Q CA 1.766 57.568 55.803 -0.002 0.000 0.843 801 Q CB -0.316 28.426 28.738 0.006 0.000 0.908 801 Q HN 0.630 nan 8.270 nan 0.000 0.420 802 M N 0.761 120.302 119.600 -0.099 0.000 2.358 802 M HA -0.154 4.324 4.480 -0.003 0.000 0.264 802 M C 1.925 178.098 176.300 -0.213 0.000 1.064 802 M CA 1.385 56.520 55.300 -0.274 0.000 1.093 802 M CB -0.082 32.084 32.600 -0.723 0.000 1.401 802 M HN 0.027 nan 8.290 nan 0.000 0.440 803 R N -0.469 119.998 120.500 -0.055 0.000 2.057 803 R HA -0.043 4.295 4.340 -0.003 0.000 0.229 803 R C 2.053 178.297 176.300 -0.092 0.000 1.136 803 R CA 1.460 57.541 56.100 -0.032 0.000 0.952 803 R CB -0.505 29.819 30.300 0.040 0.000 0.848 803 R HN 0.393 nan 8.270 nan 0.000 0.430 804 A N 0.818 123.597 122.820 -0.070 0.000 1.865 804 A HA -0.131 4.187 4.320 -0.003 0.000 0.217 804 A C 2.302 179.813 177.584 -0.122 0.000 1.191 804 A CA 1.847 53.840 52.037 -0.073 0.000 0.623 804 A CB -0.882 18.091 19.000 -0.045 0.000 0.826 804 A HN 0.232 nan 8.150 nan 0.000 0.444 805 V N 0.160 119.984 119.914 -0.150 0.000 2.233 805 V HA -0.378 3.740 4.120 -0.003 0.000 0.252 805 V C 2.580 178.481 176.094 -0.322 0.000 1.063 805 V CA 2.399 64.580 62.300 -0.198 0.000 1.032 805 V CB -1.074 30.627 31.823 -0.204 0.000 0.645 805 V HN 0.594 nan 8.190 nan 0.000 0.446 806 L N -0.415 120.534 121.223 -0.457 0.000 1.956 806 L HA -0.300 4.038 4.340 -0.003 0.000 0.216 806 L C 2.632 179.316 176.870 -0.309 0.000 1.073 806 L CA 2.499 57.011 54.840 -0.547 0.000 0.762 806 L CB -0.761 41.011 42.059 -0.478 0.000 0.889 806 L HN 0.334 nan 8.230 nan 0.000 0.433 807 K N -0.036 120.245 120.400 -0.198 0.000 2.032 807 K HA -0.268 4.050 4.320 -0.003 0.000 0.218 807 K C 1.953 178.484 176.600 -0.115 0.000 1.054 807 K CA 2.565 58.779 56.287 -0.123 0.000 0.941 807 K CB -0.312 32.138 32.500 -0.083 0.000 0.720 807 K HN 0.114 nan 8.250 nan 0.000 0.449 808 V N 0.908 120.752 119.914 -0.116 0.000 2.317 808 V HA -0.302 3.816 4.120 -0.003 0.000 0.251 808 V C 2.434 178.473 176.094 -0.093 0.000 1.065 808 V CA 1.968 64.215 62.300 -0.088 0.000 1.049 808 V CB -0.469 31.306 31.823 -0.079 0.000 0.651 808 V HN 0.223 nan 8.190 nan 0.000 0.450 809 V N 1.806 121.632 119.914 -0.146 0.000 2.214 809 V HA -0.321 3.797 4.120 -0.003 0.000 0.245 809 V C 2.458 178.501 176.094 -0.084 0.000 1.047 809 V CA 2.446 64.668 62.300 -0.130 0.000 0.998 809 V CB -1.129 30.544 31.823 -0.250 0.000 0.633 809 V HN 0.812 nan 8.190 nan 0.000 0.446 810 D N -0.005 120.336 120.400 -0.098 0.000 2.228 810 D HA -0.203 4.435 4.640 -0.003 0.000 0.203 810 D C 2.153 178.430 176.300 -0.038 0.000 0.988 810 D CA 1.111 55.078 54.000 -0.056 0.000 0.864 810 D CB -0.342 40.424 40.800 -0.056 0.000 0.928 810 D HN 0.311 nan 8.370 nan 0.000 0.469 811 L N 1.155 122.350 121.223 -0.045 0.000 2.017 811 L HA -0.116 4.223 4.340 -0.003 0.000 0.208 811 L C 2.806 179.664 176.870 -0.021 0.000 1.073 811 L CA 1.774 56.596 54.840 -0.030 0.000 0.745 811 L CB -1.331 40.707 42.059 -0.035 0.000 0.894 811 L HN 0.104 nan 8.230 nan 0.000 0.432 812 A N -0.616 122.191 122.820 -0.023 0.000 1.897 812 A HA -0.191 4.127 4.320 -0.003 0.000 0.215 812 A C 2.291 179.873 177.584 -0.004 0.000 1.181 812 A CA 1.164 53.194 52.037 -0.011 0.000 0.620 812 A CB -0.357 18.637 19.000 -0.009 0.000 0.821 812 A HN 0.257 nan 8.150 nan 0.000 0.443 813 R N 0.037 120.535 120.500 -0.004 0.000 2.120 813 R HA 0.048 4.386 4.340 -0.003 0.000 0.234 813 R C 2.090 178.392 176.300 0.004 0.000 1.123 813 R CA 1.330 57.433 56.100 0.005 0.000 0.975 813 R CB -0.775 29.530 30.300 0.008 0.000 0.866 813 R HN 0.491 nan 8.270 nan 0.000 0.446 814 A N -0.051 122.768 122.820 -0.002 0.000 2.167 814 A HA 0.212 4.531 4.320 -0.003 0.000 0.214 814 A C 1.689 179.273 177.584 0.001 0.000 1.151 814 A CA 0.977 53.014 52.037 0.001 0.000 0.735 814 A CB -0.204 18.794 19.000 -0.003 0.000 0.802 814 A HN 0.256 nan 8.150 nan 0.000 0.467 815 A N -0.421 122.399 122.820 -0.000 0.000 2.359 815 A HA 0.329 4.647 4.320 -0.003 0.000 0.240 815 A C 0.959 178.545 177.584 0.004 0.000 1.306 815 A CA -0.090 51.947 52.037 0.001 0.000 0.898 815 A CB -0.376 18.623 19.000 -0.001 0.000 0.956 815 A HN 0.371 nan 8.150 nan 0.000 0.497 816 R N -0.262 120.242 120.500 0.006 0.000 2.443 816 R HA 0.531 4.869 4.340 -0.003 0.000 0.287 816 R C 0.290 176.595 176.300 0.009 0.000 1.425 816 R CA 0.337 56.441 56.100 0.008 0.000 1.300 816 R CB 0.475 30.781 30.300 0.010 0.000 1.129 816 R HN 0.111 nan 8.270 nan 0.000 0.577 817 A N 3.045 125.869 122.820 0.008 0.000 2.267 817 A HA 0.184 4.502 4.320 -0.003 0.000 0.213 817 A C 0.219 177.808 177.584 0.009 0.000 1.192 817 A CA 0.328 52.370 52.037 0.009 0.000 0.851 817 A CB 0.246 19.251 19.000 0.008 0.000 0.881 817 A HN 0.374 nan 8.150 nan 0.000 0.494 818 K N 0.741 121.146 120.400 0.009 0.000 2.507 818 K HA 0.331 4.649 4.320 -0.003 0.000 0.252 818 K C -0.292 176.314 176.600 0.010 0.000 0.943 818 K CA -0.241 56.051 56.287 0.009 0.000 0.808 818 K CB 1.381 33.886 32.500 0.008 0.000 1.142 818 K HN 0.105 nan 8.250 nan 0.000 0.426 819 S N 1.878 117.585 115.700 0.010 0.000 2.780 819 S HA 0.046 4.514 4.470 -0.003 0.000 0.339 819 S C 1.027 175.633 174.600 0.010 0.000 1.183 819 S CA 0.005 58.211 58.200 0.011 0.000 1.358 819 S CB 0.023 63.230 63.200 0.011 0.000 1.167 819 S HN 0.736 nan 8.310 nan 0.000 0.556 820 G N 1.746 110.553 108.800 0.011 0.000 3.181 820 G HA2 0.425 4.383 3.960 -0.003 0.000 0.219 820 G HA3 0.425 4.383 3.960 -0.003 0.000 0.219 820 G C 0.154 175.060 174.900 0.011 0.000 1.182 820 G CA 0.334 45.440 45.100 0.010 0.000 0.791 820 G HN 1.086 nan 8.290 nan 0.000 0.537 821 V N 0.000 119.921 119.914 0.012 0.000 2.409 821 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 821 V CA 0.000 62.307 62.300 0.012 0.000 1.235 821 V CB 0.000 31.831 31.823 0.013 0.000 1.184 821 V HN 0.000 nan 8.190 nan 0.000 0.556