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 2x96_1_A DATA FIRST_RESID 17 DATA SEQUENCE ALVKEEIQAK EYLENLNKEL AKRTNVETEA AWAYGSNITD ENEKKKNEIS DATA SEQUENCE AELAKFMKEV ASDTTKFQWR SYQSEDLKRQ FKALTKLGYA ALPEDDYAEL DATA SEQUENCE LDTLSAMESN FAKVKVcDYK DSTKcDLALD PEIEEVISKS RDHEELAYYW DATA SEQUENCE REFYDKAGTA VRSQFERYVE LNTKAAKLNN FTSGAEAWLD EYEDDTFEQQ DATA SEQUENCE LEDIFADIRP LYQQIHGYVR FRLRKHYGDA VVSETGPIPM HLLGNMWAQQ DATA SEQUENCE WSEIADIVSP FPEKPLVDVS AEMEKQGYTP LKMFQMGDDF FTSMNLTKLP DATA SEQUENCE QDFWDKSIIE KPTDGRDLVc HASAWDFYLT DDVRIKQcTR VTQDQLFTVH DATA SEQUENCE HELGHIQYFL QYQHQPFVYR TGANPGFHEA VGDVLSLSVS TPKHLEKIGL DATA SEQUENCE LKDYVRDDEA RINQLFLTAL DKIVFLPFAF TMDKYRWSLF RGEVDKANWN DATA SEQUENCE cAFWKLRDEY SGIEPPVVRS EKDFDAPAKY HISADVEYLR YLVSFIIQFQ DATA SEQUENCE FYKSAcIKAG QYDPDNVELP LDNcDIYGSA AAGAAFHNML SMGASKPWPD DATA SEQUENCE ALEAFNGERI MSGKAIAEYF EPLRVWLEAE NIKNNVHIGW TTSNKcVS 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.604 177.584 0.033 0.000 1.274 17 A CA 0.000 52.046 52.037 0.015 0.000 0.836 17 A CB 0.000 19.007 19.000 0.011 0.000 0.831 18 L N 0.477 121.727 121.223 0.046 0.000 2.179 18 L HA -0.036 4.300 4.340 -0.008 0.000 0.208 18 L C 2.227 179.125 176.870 0.047 0.000 1.096 18 L CA 1.086 55.978 54.840 0.086 0.000 0.779 18 L CB -0.334 41.791 42.059 0.111 0.000 0.922 18 L HN 0.629 nan 8.230 nan 0.000 0.443 19 V N 0.650 120.577 119.914 0.022 0.000 2.295 19 V HA -0.331 3.784 4.120 -0.008 0.000 0.246 19 V C 3.093 179.179 176.094 -0.014 0.000 1.049 19 V CA 2.500 64.798 62.300 -0.003 0.000 1.024 19 V CB -1.063 30.763 31.823 0.004 0.000 0.648 19 V HN 0.556 nan 8.190 nan 0.000 0.447 20 K N -0.170 120.233 120.400 0.005 0.000 2.148 20 K HA -0.188 4.128 4.320 -0.008 0.000 0.204 20 K C 2.048 178.662 176.600 0.024 0.000 1.050 20 K CA 1.727 58.021 56.287 0.012 0.000 0.942 20 K CB -0.623 31.888 32.500 0.018 0.000 0.724 20 K HN 0.661 nan 8.250 nan 0.000 0.446 21 E N -0.167 120.056 120.200 0.038 0.000 2.072 21 E HA -0.184 4.161 4.350 -0.008 0.000 0.190 21 E C 2.121 178.735 176.600 0.023 0.000 0.982 21 E CA 1.030 57.489 56.400 0.098 0.000 0.803 21 E CB 0.035 29.836 29.700 0.169 0.000 0.755 21 E HN 0.722 nan 8.360 nan 0.000 0.453 22 E N 0.255 120.324 120.200 -0.218 0.000 2.153 22 E HA -0.178 4.167 4.350 -0.008 0.000 0.194 22 E C 2.070 178.535 176.600 -0.225 0.000 0.988 22 E CA 0.883 56.941 56.400 -0.569 0.000 0.811 22 E CB 0.000 29.320 29.700 -0.634 0.000 0.746 22 E HN 0.317 nan 8.360 nan 0.000 0.466 23 I N 0.751 121.266 120.570 -0.092 0.000 2.179 23 I HA -0.309 3.856 4.170 -0.008 0.000 0.242 23 I C 2.505 178.641 176.117 0.032 0.000 1.088 23 I CA 1.252 62.538 61.300 -0.022 0.000 1.357 23 I CB -0.243 37.755 38.000 -0.003 0.000 1.051 23 I HN 0.154 nan 8.210 nan 0.000 0.409 24 Q N 0.533 120.382 119.800 0.082 0.000 2.124 24 Q HA -0.178 4.157 4.340 -0.008 0.000 0.202 24 Q C 2.463 178.604 176.000 0.236 0.000 0.977 24 Q CA 1.644 57.550 55.803 0.173 0.000 0.850 24 Q CB -0.291 28.581 28.738 0.224 0.000 0.901 24 Q HN 0.589 nan 8.270 nan 0.000 0.429 25 A N 1.505 124.445 122.820 0.199 0.000 1.902 25 A HA -0.230 4.085 4.320 -0.008 0.000 0.217 25 A C 2.006 179.650 177.584 0.101 0.000 1.181 25 A CA 1.587 53.684 52.037 0.099 0.000 0.623 25 A CB -0.417 18.675 19.000 0.153 0.000 0.818 25 A HN 0.215 nan 8.150 nan 0.000 0.443 26 K N -0.198 120.234 120.400 0.052 0.000 2.063 26 K HA -0.198 4.117 4.320 -0.008 0.000 0.208 26 K C 1.892 178.496 176.600 0.006 0.000 1.048 26 K CA 1.783 58.079 56.287 0.015 0.000 0.928 26 K CB -0.173 32.328 32.500 0.001 0.000 0.713 26 K HN 0.636 nan 8.250 nan 0.000 0.442 27 E N -0.746 119.482 120.200 0.047 0.000 2.106 27 E HA -0.210 4.135 4.350 -0.008 0.000 0.192 27 E C 1.814 178.446 176.600 0.053 0.000 0.984 27 E CA 1.078 57.506 56.400 0.047 0.000 0.806 27 E CB -0.178 29.567 29.700 0.075 0.000 0.750 27 E HN 0.374 nan 8.360 nan 0.000 0.458 28 Y N 1.472 121.758 120.300 -0.023 0.000 2.128 28 Y HA -0.227 4.319 4.550 -0.007 0.000 0.284 28 Y C 1.848 177.653 175.900 -0.158 0.000 1.154 28 Y CA 1.467 59.539 58.100 -0.046 0.000 1.149 28 Y CB -0.165 38.262 38.460 -0.056 0.000 0.976 28 Y HN -0.051 nan 8.280 nan 0.000 0.505 29 L N -0.135 120.922 121.223 -0.276 0.000 2.056 29 L HA -0.180 4.155 4.340 -0.008 0.000 0.207 29 L C 2.521 179.193 176.870 -0.329 0.000 1.078 29 L CA 1.749 56.326 54.840 -0.439 0.000 0.749 29 L CB -0.601 41.219 42.059 -0.398 0.000 0.901 29 L HN 0.250 nan 8.230 nan 0.000 0.433 30 E N 0.467 120.546 120.200 -0.202 0.000 2.058 30 E HA -0.288 4.058 4.350 -0.008 0.000 0.194 30 E C 1.905 178.414 176.600 -0.152 0.000 0.997 30 E CA 1.844 58.159 56.400 -0.142 0.000 0.801 30 E CB 0.029 29.683 29.700 -0.077 0.000 0.746 30 E HN 0.365 nan 8.360 nan 0.000 0.450 31 N N -0.345 118.258 118.700 -0.162 0.000 2.142 31 N HA -0.163 4.572 4.740 -0.008 0.000 0.186 31 N C 1.777 177.159 175.510 -0.213 0.000 1.023 31 N CA 0.827 53.787 53.050 -0.151 0.000 0.852 31 N CB -0.125 38.298 38.487 -0.107 0.000 0.998 31 N HN 0.114 nan 8.380 nan 0.000 0.424 32 L N 0.970 121.982 121.223 -0.352 0.000 2.046 32 L HA -0.050 4.285 4.340 -0.008 0.000 0.208 32 L C 1.711 178.410 176.870 -0.285 0.000 1.077 32 L CA 1.618 56.236 54.840 -0.369 0.000 0.747 32 L CB -0.976 40.681 42.059 -0.671 0.000 0.896 32 L HN 0.261 nan 8.230 nan 0.000 0.432 33 N N 0.073 118.608 118.700 -0.275 0.000 2.069 33 N HA -0.220 4.516 4.740 -0.008 0.000 0.191 33 N C 1.769 177.164 175.510 -0.193 0.000 1.031 33 N CA 1.652 54.586 53.050 -0.195 0.000 0.852 33 N CB -0.148 38.249 38.487 -0.150 0.000 1.018 33 N HN 0.473 nan 8.380 nan 0.000 0.423 34 K N 0.926 121.230 120.400 -0.159 0.000 2.097 34 K HA -0.152 4.164 4.320 -0.008 0.000 0.206 34 K C 1.926 178.410 176.600 -0.194 0.000 1.049 34 K CA 0.963 57.170 56.287 -0.133 0.000 0.933 34 K CB -0.099 32.346 32.500 -0.092 0.000 0.717 34 K HN 0.316 nan 8.250 nan 0.000 0.442 35 E N 1.201 121.270 120.200 -0.218 0.000 2.106 35 E HA -0.154 4.191 4.350 -0.008 0.000 0.192 35 E C 1.956 178.322 176.600 -0.390 0.000 0.984 35 E CA 0.712 56.956 56.400 -0.260 0.000 0.806 35 E CB 0.044 29.626 29.700 -0.197 0.000 0.750 35 E HN 0.202 nan 8.360 nan 0.000 0.458 36 L N 0.297 121.234 121.223 -0.477 0.000 2.056 36 L HA -0.130 4.206 4.340 -0.008 0.000 0.207 36 L C 2.652 178.823 176.870 -1.165 0.000 1.078 36 L CA 0.973 55.328 54.840 -0.809 0.000 0.749 36 L CB -0.460 40.999 42.059 -0.999 0.000 0.901 36 L HN 0.230 nan 8.230 nan 0.000 0.433 37 A N 0.093 122.327 122.820 -0.977 0.000 1.883 37 A HA -0.271 4.045 4.320 -0.008 0.000 0.217 37 A C 2.305 179.757 177.584 -0.221 0.000 1.186 37 A CA 2.097 53.846 52.037 -0.480 0.000 0.624 37 A CB -0.407 18.577 19.000 -0.026 0.000 0.822 37 A HN 0.203 nan 8.150 nan 0.000 0.444 38 K N -0.175 120.094 120.400 -0.217 0.000 2.057 38 K HA -0.032 4.283 4.320 -0.008 0.000 0.206 38 K C 2.160 178.667 176.600 -0.154 0.000 1.050 38 K CA 1.502 57.709 56.287 -0.133 0.000 0.935 38 K CB -0.247 32.170 32.500 -0.139 0.000 0.715 38 K HN 0.468 nan 8.250 nan 0.000 0.439 39 R N -0.911 119.429 120.500 -0.267 0.000 2.092 39 R HA -0.031 4.305 4.340 -0.008 0.000 0.231 39 R C 2.046 178.254 176.300 -0.154 0.000 1.119 39 R CA 1.766 57.715 56.100 -0.252 0.000 0.970 39 R CB -0.309 29.750 30.300 -0.402 0.000 0.864 39 R HN 0.201 nan 8.270 nan 0.000 0.440 40 T N 0.899 115.334 114.554 -0.198 0.000 2.904 40 T HA -0.123 4.222 4.350 -0.008 0.000 0.267 40 T C 1.533 176.304 174.700 0.119 0.000 1.059 40 T CA 0.979 63.039 62.100 -0.067 0.000 1.137 40 T CB -0.329 68.423 68.868 -0.194 0.000 0.879 40 T HN 0.354 nan 8.240 nan 0.000 0.467 41 N N 1.319 120.107 118.700 0.147 0.000 2.061 41 N HA -0.152 4.583 4.740 -0.008 0.000 0.193 41 N C 1.833 177.463 175.510 0.200 0.000 1.030 41 N CA 1.524 54.715 53.050 0.235 0.000 0.856 41 N CB -0.260 38.334 38.487 0.180 0.000 1.023 41 N HN 0.232 nan 8.380 nan 0.000 0.424 42 V N 1.418 121.395 119.914 0.105 0.000 2.343 42 V HA -0.165 3.950 4.120 -0.008 0.000 0.247 42 V C 2.522 178.691 176.094 0.126 0.000 1.051 42 V CA 1.911 64.266 62.300 0.092 0.000 1.036 42 V CB -0.693 31.147 31.823 0.028 0.000 0.654 42 V HN 0.420 nan 8.190 nan 0.000 0.451 43 E N 0.143 120.413 120.200 0.117 0.000 2.077 43 E HA -0.221 4.124 4.350 -0.008 0.000 0.193 43 E C 2.207 178.934 176.600 0.211 0.000 0.989 43 E CA 1.898 58.383 56.400 0.143 0.000 0.800 43 E CB -0.101 29.672 29.700 0.121 0.000 0.746 43 E HN 0.634 nan 8.360 nan 0.000 0.452 44 T N 1.297 115.991 114.554 0.233 0.000 2.788 44 T HA -0.113 4.233 4.350 -0.008 0.000 0.268 44 T C 1.565 176.500 174.700 0.392 0.000 1.044 44 T CA 0.999 63.263 62.100 0.274 0.000 1.139 44 T CB -0.111 68.798 68.868 0.068 0.000 0.867 44 T HN 0.161 nan 8.240 nan 0.000 0.454 45 E N 1.294 121.733 120.200 0.399 0.000 2.077 45 E HA -0.041 4.304 4.350 -0.008 0.000 0.193 45 E C 2.578 179.374 176.600 0.328 0.000 0.989 45 E CA 1.174 57.815 56.400 0.401 0.000 0.800 45 E CB -0.414 29.431 29.700 0.243 0.000 0.746 45 E HN 0.517 nan 8.360 nan 0.000 0.452 46 A N 1.224 124.197 122.820 0.255 0.000 1.930 46 A HA -0.020 4.296 4.320 -0.008 0.000 0.217 46 A C 2.366 180.107 177.584 0.263 0.000 1.175 46 A CA 1.751 53.916 52.037 0.214 0.000 0.627 46 A CB -0.378 18.714 19.000 0.152 0.000 0.815 46 A HN 0.254 nan 8.150 nan 0.000 0.443 47 A N -1.116 121.903 122.820 0.331 0.000 1.929 47 A HA -0.127 4.188 4.320 -0.008 0.000 0.216 47 A C 2.067 179.906 177.584 0.424 0.000 1.176 47 A CA 1.239 53.537 52.037 0.436 0.000 0.628 47 A CB -0.821 18.496 19.000 0.528 0.000 0.816 47 A HN 0.871 nan 8.150 nan 0.000 0.444 48 W N 0.998 122.305 121.300 0.011 0.000 2.355 48 W HA -0.175 4.482 4.660 -0.005 0.000 0.309 48 W C 2.130 178.546 176.519 -0.171 0.000 1.206 48 W CA 2.073 59.128 57.345 -0.483 0.000 1.284 48 W CB -0.445 28.746 29.460 -0.448 0.000 1.145 48 W HN 0.401 nan 8.180 nan 0.000 0.502 49 A N -0.180 122.701 122.820 0.102 0.000 1.933 49 A HA -0.270 4.045 4.320 -0.008 0.000 0.218 49 A C 1.857 179.439 177.584 -0.004 0.000 1.175 49 A CA 1.724 53.781 52.037 0.033 0.000 0.628 49 A CB -1.569 17.523 19.000 0.153 0.000 0.814 49 A HN 0.532 nan 8.150 nan 0.000 0.444 50 Y N 0.646 120.932 120.300 -0.024 0.000 2.220 50 Y HA 0.050 4.595 4.550 -0.008 0.000 0.291 50 Y C 2.412 178.291 175.900 -0.035 0.000 1.129 50 Y CA 1.288 59.386 58.100 -0.002 0.000 1.161 50 Y CB -0.791 37.705 38.460 0.060 0.000 0.997 50 Y HN 0.207 nan 8.280 nan 0.000 0.522 51 G N -1.192 107.532 108.800 -0.128 0.000 2.432 51 G HA2 -0.206 3.749 3.960 -0.008 0.000 0.219 51 G HA3 -0.206 3.749 3.960 -0.008 0.000 0.219 51 G C 1.685 176.378 174.900 -0.345 0.000 1.135 51 G CA 1.075 46.056 45.100 -0.199 0.000 0.767 51 G HN 0.438 nan 8.290 nan 0.000 0.550 52 S N -0.312 115.092 115.700 -0.493 0.000 2.496 52 S HA 0.070 4.535 4.470 -0.008 0.000 0.224 52 S C 0.694 175.119 174.600 -0.292 0.000 0.996 52 S CA 0.213 58.115 58.200 -0.497 0.000 0.927 52 S CB 0.129 62.895 63.200 -0.723 0.000 0.774 52 S HN 0.398 nan 8.310 nan 0.000 0.524 53 N N 0.746 119.294 118.700 -0.253 0.000 2.839 53 N HA 0.226 4.962 4.740 -0.008 0.000 0.230 53 N C -1.507 173.903 175.510 -0.166 0.000 1.388 53 N CA -0.123 52.831 53.050 -0.160 0.000 0.747 53 N CB 0.100 38.531 38.487 -0.094 0.000 1.411 53 N HN 0.038 nan 8.380 nan 0.000 0.556 54 I N 2.400 122.826 120.570 -0.239 0.000 2.483 54 I HA 0.114 4.279 4.170 -0.008 0.000 0.291 54 I C 0.538 176.643 176.117 -0.020 0.000 1.112 54 I CA 0.345 61.480 61.300 -0.275 0.000 1.350 54 I CB 0.022 37.841 38.000 -0.302 0.000 1.419 54 I HN 0.448 nan 8.210 nan 0.000 0.523 55 T N -0.053 114.572 114.554 0.119 0.000 2.896 55 T HA 0.291 4.637 4.350 -0.008 0.000 0.297 55 T C 0.469 175.278 174.700 0.181 0.000 1.108 55 T CA -0.873 61.301 62.100 0.124 0.000 1.004 55 T CB 2.116 71.033 68.868 0.081 0.000 1.159 55 T HN 0.319 nan 8.240 nan 0.000 0.499 56 D N 0.299 120.768 120.400 0.115 0.000 2.144 56 D HA -0.101 4.534 4.640 -0.008 0.000 0.199 56 D C 1.687 178.028 176.300 0.068 0.000 0.984 56 D CA 1.323 55.376 54.000 0.088 0.000 0.834 56 D CB 0.033 40.868 40.800 0.057 0.000 0.955 56 D HN 0.839 nan 8.370 nan 0.000 0.465 57 E N 0.300 120.541 120.200 0.070 0.000 2.047 57 E HA -0.167 4.179 4.350 -0.008 0.000 0.191 57 E C 1.602 178.243 176.600 0.068 0.000 0.987 57 E CA 0.799 57.233 56.400 0.056 0.000 0.799 57 E CB 0.156 29.887 29.700 0.051 0.000 0.752 57 E HN 0.079 nan 8.360 nan 0.000 0.449 58 N N 0.863 119.634 118.700 0.119 0.000 2.244 58 N HA -0.169 4.566 4.740 -0.008 0.000 0.183 58 N C 1.625 177.184 175.510 0.082 0.000 1.016 58 N CA 0.938 54.087 53.050 0.165 0.000 0.866 58 N CB -0.256 38.394 38.487 0.270 0.000 0.980 58 N HN 0.354 nan 8.380 nan 0.000 0.430 59 E N 1.242 121.449 120.200 0.011 0.000 2.038 59 E HA -0.208 4.137 4.350 -0.008 0.000 0.195 59 E C 1.844 178.324 176.600 -0.200 0.000 1.000 59 E CA 1.194 57.382 56.400 -0.353 0.000 0.803 59 E CB 0.040 29.635 29.700 -0.175 0.000 0.750 59 E HN 0.200 nan 8.360 nan 0.000 0.448 60 K N 0.552 120.908 120.400 -0.073 0.000 2.044 60 K HA -0.214 4.101 4.320 -0.008 0.000 0.210 60 K C 2.169 178.752 176.600 -0.028 0.000 1.049 60 K CA 1.876 58.139 56.287 -0.041 0.000 0.927 60 K CB 0.041 32.536 32.500 -0.007 0.000 0.713 60 K HN -0.004 nan 8.250 nan 0.000 0.443 61 K N 0.521 120.917 120.400 -0.007 0.000 2.026 61 K HA -0.179 4.136 4.320 -0.008 0.000 0.208 61 K C 2.233 178.842 176.600 0.016 0.000 1.048 61 K CA 1.474 57.772 56.287 0.018 0.000 0.929 61 K CB -0.119 32.408 32.500 0.044 0.000 0.713 61 K HN 0.124 nan 8.250 nan 0.000 0.439 62 K N 1.028 121.419 120.400 -0.014 0.000 2.009 62 K HA -0.176 4.139 4.320 -0.008 0.000 0.210 62 K C 1.698 178.290 176.600 -0.013 0.000 1.049 62 K CA 1.701 57.984 56.287 -0.008 0.000 0.929 62 K CB -0.018 32.424 32.500 -0.097 0.000 0.714 62 K HN 0.054 nan 8.250 nan 0.000 0.440 63 N N 1.037 119.695 118.700 -0.069 0.000 2.244 63 N HA -0.111 4.624 4.740 -0.008 0.000 0.183 63 N C 1.446 176.962 175.510 0.009 0.000 1.016 63 N CA 1.047 54.066 53.050 -0.053 0.000 0.866 63 N CB -0.013 38.412 38.487 -0.103 0.000 0.980 63 N HN 0.375 nan 8.380 nan 0.000 0.430 64 E N 0.177 120.386 120.200 0.016 0.000 2.107 64 E HA -0.024 4.321 4.350 -0.008 0.000 0.191 64 E C 1.596 178.233 176.600 0.063 0.000 0.982 64 E CA 0.447 56.871 56.400 0.040 0.000 0.809 64 E CB 0.115 29.831 29.700 0.027 0.000 0.756 64 E HN 0.215 nan 8.360 nan 0.000 0.459 65 I N 1.026 121.632 120.570 0.061 0.000 2.252 65 I HA -0.191 3.975 4.170 -0.008 0.000 0.245 65 I C 2.296 178.472 176.117 0.098 0.000 1.102 65 I CA 1.109 62.450 61.300 0.069 0.000 1.385 65 I CB -1.131 36.910 38.000 0.069 0.000 1.064 65 I HN -0.026 nan 8.210 nan 0.000 0.414 66 S N 1.083 116.861 115.700 0.130 0.000 2.368 66 S HA -0.123 4.343 4.470 -0.008 0.000 0.225 66 S C 2.260 177.050 174.600 0.317 0.000 1.030 66 S CA 1.358 59.686 58.200 0.213 0.000 0.999 66 S CB -0.280 63.050 63.200 0.217 0.000 0.844 66 S HN 0.549 nan 8.310 nan 0.000 0.459 67 A N 1.198 124.206 122.820 0.313 0.000 1.940 67 A HA -0.189 4.126 4.320 -0.008 0.000 0.219 67 A C 2.017 179.681 177.584 0.135 0.000 1.176 67 A CA 1.849 54.074 52.037 0.313 0.000 0.631 67 A CB -0.580 18.554 19.000 0.224 0.000 0.814 67 A HN 0.625 nan 8.150 nan 0.000 0.446 68 E N -0.742 119.519 120.200 0.102 0.000 2.072 68 E HA -0.172 4.174 4.350 -0.008 0.000 0.191 68 E C 1.889 178.526 176.600 0.062 0.000 0.985 68 E CA 1.211 57.650 56.400 0.064 0.000 0.801 68 E CB -0.179 29.547 29.700 0.044 0.000 0.750 68 E HN 0.444 nan 8.360 nan 0.000 0.452 69 L N 0.780 122.040 121.223 0.062 0.000 2.093 69 L HA -0.025 4.311 4.340 -0.008 0.000 0.208 69 L C 2.213 179.117 176.870 0.056 0.000 1.085 69 L CA 2.032 56.909 54.840 0.063 0.000 0.755 69 L CB -0.689 41.399 42.059 0.048 0.000 0.904 69 L HN 0.175 nan 8.230 nan 0.000 0.435 70 A N -0.521 122.275 122.820 -0.040 0.000 1.908 70 A HA -0.290 4.025 4.320 -0.008 0.000 0.218 70 A C 2.459 179.961 177.584 -0.136 0.000 1.181 70 A CA 2.059 53.959 52.037 -0.227 0.000 0.627 70 A CB -0.635 17.927 19.000 -0.730 0.000 0.818 70 A HN 0.502 nan 8.150 nan 0.000 0.445 71 K N -1.660 118.708 120.400 -0.053 0.000 2.057 71 K HA -0.164 4.152 4.320 -0.008 0.000 0.207 71 K C 1.760 178.380 176.600 0.033 0.000 1.049 71 K CA 1.697 57.979 56.287 -0.008 0.000 0.931 71 K CB -0.316 32.202 32.500 0.030 0.000 0.714 71 K HN 0.432 nan 8.250 nan 0.000 0.440 72 F N 0.952 120.864 119.950 -0.062 0.000 2.186 72 F HA -0.176 4.346 4.527 -0.008 0.000 0.299 72 F C 1.903 177.667 175.800 -0.060 0.000 1.090 72 F CA 1.146 59.112 58.000 -0.057 0.000 1.307 72 F CB -0.027 38.932 39.000 -0.068 0.000 1.019 72 F HN 0.010 nan 8.300 nan 0.000 0.489 73 M N 0.471 120.035 119.600 -0.059 0.000 2.159 73 M HA -0.197 4.279 4.480 -0.008 0.000 0.263 73 M C 2.076 178.274 176.300 -0.170 0.000 1.063 73 M CA 1.502 56.719 55.300 -0.137 0.000 1.110 73 M CB -1.304 31.261 32.600 -0.057 0.000 1.374 73 M HN 0.135 nan 8.290 nan 0.000 0.411 74 K N -0.038 120.281 120.400 -0.135 0.000 2.032 74 K HA -0.217 4.098 4.320 -0.008 0.000 0.209 74 K C 2.038 178.564 176.600 -0.124 0.000 1.048 74 K CA 1.614 57.836 56.287 -0.108 0.000 0.927 74 K CB -0.226 32.224 32.500 -0.084 0.000 0.712 74 K HN 0.422 nan 8.250 nan 0.000 0.441 75 E N 0.590 120.682 120.200 -0.179 0.000 2.110 75 E HA -0.167 4.178 4.350 -0.008 0.000 0.193 75 E C 1.926 178.399 176.600 -0.212 0.000 0.988 75 E CA 0.964 57.252 56.400 -0.188 0.000 0.804 75 E CB 0.194 29.764 29.700 -0.217 0.000 0.745 75 E HN 0.031 nan 8.360 nan 0.000 0.458 76 V N 1.238 120.941 119.914 -0.351 0.000 2.261 76 V HA -0.294 3.822 4.120 -0.008 0.000 0.246 76 V C 2.471 178.532 176.094 -0.054 0.000 1.047 76 V CA 1.940 64.098 62.300 -0.236 0.000 1.015 76 V CB -0.855 30.764 31.823 -0.341 0.000 0.642 76 V HN 0.444 nan 8.190 nan 0.000 0.446 77 A N -0.751 122.029 122.820 -0.067 0.000 1.940 77 A HA -0.259 4.056 4.320 -0.008 0.000 0.219 77 A C 2.561 180.162 177.584 0.030 0.000 1.176 77 A CA 2.337 54.372 52.037 -0.004 0.000 0.631 77 A CB -0.808 18.180 19.000 -0.021 0.000 0.814 77 A HN 0.500 nan 8.150 nan 0.000 0.446 78 S N -0.319 115.380 115.700 -0.003 0.000 2.356 78 S HA -0.188 4.277 4.470 -0.008 0.000 0.223 78 S C 1.643 176.263 174.600 0.033 0.000 1.032 78 S CA 1.696 59.899 58.200 0.005 0.000 1.005 78 S CB -0.509 62.678 63.200 -0.022 0.000 0.867 78 S HN 0.564 nan 8.310 nan 0.000 0.449 79 D N 0.758 121.188 120.400 0.050 0.000 2.218 79 D HA -0.061 4.574 4.640 -0.008 0.000 0.204 79 D C 2.234 178.650 176.300 0.194 0.000 0.976 79 D CA 1.616 55.669 54.000 0.089 0.000 0.853 79 D CB -0.760 40.128 40.800 0.145 0.000 0.939 79 D HN 0.725 nan 8.370 nan 0.000 0.481 80 T N -1.457 113.255 114.554 0.264 0.000 2.881 80 T HA -0.169 4.176 4.350 -0.008 0.000 0.270 80 T C 1.967 176.883 174.700 0.360 0.000 1.068 80 T CA 1.855 64.210 62.100 0.424 0.000 1.131 80 T CB -0.795 68.287 68.868 0.357 0.000 0.871 80 T HN 0.180 nan 8.240 nan 0.000 0.479 81 T N -0.626 114.042 114.554 0.189 0.000 3.072 81 T HA 0.114 4.459 4.350 -0.008 0.000 0.266 81 T C 1.710 176.398 174.700 -0.020 0.000 1.127 81 T CA 0.590 62.738 62.100 0.081 0.000 1.107 81 T CB -0.424 68.461 68.868 0.028 0.000 0.910 81 T HN 0.446 nan 8.240 nan 0.000 0.513 82 K N -0.146 120.214 120.400 -0.067 0.000 2.418 82 K HA 0.247 4.563 4.320 -0.008 0.000 0.195 82 K C -0.411 175.920 176.600 -0.449 0.000 1.035 82 K CA 0.269 56.387 56.287 -0.282 0.000 1.003 82 K CB 0.059 32.316 32.500 -0.405 0.000 0.793 82 K HN 0.395 nan 8.250 nan 0.000 0.494 83 F N 1.104 120.988 119.950 -0.110 0.000 2.443 83 F HA 0.204 4.727 4.527 -0.007 0.000 0.335 83 F C 0.681 176.310 175.800 -0.285 0.000 1.104 83 F CA -1.026 56.875 58.000 -0.165 0.000 1.013 83 F CB 1.431 40.254 39.000 -0.296 0.000 1.136 83 F HN -0.230 nan 8.300 nan 0.000 0.470 84 Q N 4.682 124.391 119.800 -0.151 0.000 2.945 84 Q HA -0.041 4.295 4.340 -0.008 0.000 0.323 84 Q C 1.345 176.826 176.000 -0.866 0.000 1.188 84 Q CA -0.110 55.462 55.803 -0.385 0.000 0.929 84 Q CB -0.369 28.249 28.738 -0.200 0.000 1.531 84 Q HN 0.916 nan 8.270 nan 0.000 0.444 85 W N -0.046 120.647 121.300 -1.011 0.000 2.374 85 W HA -0.142 4.514 4.660 -0.007 0.000 0.288 85 W C 0.746 176.787 176.519 -0.797 0.000 1.218 85 W CA 0.271 56.760 57.345 -1.427 0.000 1.245 85 W CB -0.507 28.237 29.460 -1.193 0.000 1.126 85 W HN 0.239 nan 8.180 nan 0.000 0.545 86 R N 0.846 120.720 120.500 -1.043 0.000 2.241 86 R HA -0.064 4.271 4.340 -0.008 0.000 0.224 86 R C 2.138 178.222 176.300 -0.359 0.000 1.101 86 R CA 1.517 57.185 56.100 -0.720 0.000 0.995 86 R CB -0.245 29.525 30.300 -0.884 0.000 0.870 86 R HN 0.072 nan 8.270 nan 0.000 0.463 87 S N -0.440 115.034 115.700 -0.376 0.000 2.575 87 S HA 0.084 4.549 4.470 -0.008 0.000 0.215 87 S C -0.196 174.443 174.600 0.065 0.000 0.966 87 S CA -0.024 58.087 58.200 -0.149 0.000 0.911 87 S CB 0.072 63.195 63.200 -0.128 0.000 0.780 87 S HN 0.129 nan 8.310 nan 0.000 0.514 88 Y N 2.595 122.902 120.300 0.011 0.000 2.357 88 Y HA 0.218 4.764 4.550 -0.008 0.000 0.340 88 Y C 1.746 177.678 175.900 0.053 0.000 1.260 88 Y CA -1.349 56.781 58.100 0.050 0.000 1.425 88 Y CB 0.311 38.829 38.460 0.097 0.000 1.326 88 Y HN 0.052 nan 8.280 nan 0.000 0.580 89 Q N 0.556 120.485 119.800 0.215 0.000 2.137 89 Q HA -0.057 4.278 4.340 -0.008 0.000 0.198 89 Q C 0.686 176.762 176.000 0.126 0.000 0.960 89 Q CA 0.632 56.511 55.803 0.125 0.000 0.847 89 Q CB -0.136 28.646 28.738 0.074 0.000 0.915 89 Q HN 0.537 nan 8.270 nan 0.000 0.448 90 S N 1.446 117.234 115.700 0.146 0.000 2.448 90 S HA 0.035 4.500 4.470 -0.008 0.000 0.279 90 S C 1.033 175.738 174.600 0.174 0.000 1.195 90 S CA -0.405 57.875 58.200 0.134 0.000 1.051 90 S CB 0.625 63.891 63.200 0.110 0.000 0.948 90 S HN 0.049 nan 8.310 nan 0.000 0.493 91 E N 3.746 124.026 120.200 0.134 0.000 2.118 91 E HA -0.161 4.184 4.350 -0.008 0.000 0.195 91 E C 1.336 178.028 176.600 0.153 0.000 0.992 91 E CA 1.271 57.751 56.400 0.134 0.000 0.804 91 E CB -0.251 29.502 29.700 0.088 0.000 0.741 91 E HN 0.864 nan 8.360 nan 0.000 0.458 92 D N 0.627 121.114 120.400 0.144 0.000 2.097 92 D HA -0.115 4.520 4.640 -0.008 0.000 0.195 92 D C 2.147 178.561 176.300 0.191 0.000 0.989 92 D CA 0.850 54.957 54.000 0.177 0.000 0.827 92 D CB -0.151 40.741 40.800 0.153 0.000 0.966 92 D HN 0.089 nan 8.370 nan 0.000 0.456 93 L N 0.002 121.341 121.223 0.194 0.000 2.046 93 L HA -0.141 4.195 4.340 -0.008 0.000 0.208 93 L C 2.584 179.677 176.870 0.371 0.000 1.077 93 L CA 1.163 56.158 54.840 0.258 0.000 0.747 93 L CB -0.429 41.818 42.059 0.314 0.000 0.896 93 L HN 0.056 nan 8.230 nan 0.000 0.432 94 K N -0.139 120.485 120.400 0.374 0.000 2.063 94 K HA -0.228 4.088 4.320 -0.008 0.000 0.208 94 K C 2.245 178.953 176.600 0.180 0.000 1.048 94 K CA 1.330 57.851 56.287 0.389 0.000 0.928 94 K CB -0.211 32.523 32.500 0.390 0.000 0.713 94 K HN 0.199 nan 8.250 nan 0.000 0.442 95 R N 1.467 122.064 120.500 0.161 0.000 2.081 95 R HA -0.156 4.179 4.340 -0.008 0.000 0.235 95 R C 2.187 178.503 176.300 0.026 0.000 1.131 95 R CA 1.500 57.669 56.100 0.116 0.000 0.960 95 R CB 0.051 30.460 30.300 0.183 0.000 0.856 95 R HN 0.272 nan 8.270 nan 0.000 0.436 96 Q N -0.756 119.022 119.800 -0.038 0.000 2.046 96 Q HA -0.164 4.171 4.340 -0.008 0.000 0.200 96 Q C 1.959 177.731 176.000 -0.381 0.000 0.975 96 Q CA 1.646 57.278 55.803 -0.286 0.000 0.836 96 Q CB -0.121 28.371 28.738 -0.409 0.000 0.896 96 Q HN 0.303 nan 8.270 nan 0.000 0.428 97 F N 1.266 120.964 119.950 -0.421 0.000 2.134 97 F HA -0.180 4.343 4.527 -0.007 0.000 0.299 97 F C 2.412 177.622 175.800 -0.983 0.000 1.097 97 F CA 1.277 58.825 58.000 -0.754 0.000 1.264 97 F CB -0.111 38.239 39.000 -1.084 0.000 1.001 97 F HN -0.034 nan 8.300 nan 0.000 0.479 98 K N 0.202 120.135 120.400 -0.779 0.000 2.063 98 K HA -0.192 4.123 4.320 -0.008 0.000 0.208 98 K C 2.270 178.730 176.600 -0.234 0.000 1.048 98 K CA 1.195 57.167 56.287 -0.524 0.000 0.928 98 K CB -0.344 32.040 32.500 -0.193 0.000 0.713 98 K HN 0.224 nan 8.250 nan 0.000 0.442 99 A N 1.168 123.873 122.820 -0.192 0.000 1.940 99 A HA -0.151 4.165 4.320 -0.008 0.000 0.219 99 A C 2.043 179.544 177.584 -0.139 0.000 1.176 99 A CA 1.332 53.289 52.037 -0.133 0.000 0.631 99 A CB -0.542 18.378 19.000 -0.133 0.000 0.814 99 A HN 0.312 nan 8.150 nan 0.000 0.446 100 L N -0.099 121.006 121.223 -0.197 0.000 2.217 100 L HA -0.107 4.229 4.340 -0.008 0.000 0.211 100 L C 2.801 179.617 176.870 -0.090 0.000 1.107 100 L CA 1.509 56.257 54.840 -0.153 0.000 0.783 100 L CB -0.669 41.268 42.059 -0.203 0.000 0.919 100 L HN 0.647 nan 8.230 nan 0.000 0.442 101 T N -3.196 111.305 114.554 -0.088 0.000 3.035 101 T HA -0.105 4.240 4.350 -0.008 0.000 0.268 101 T C 0.937 175.640 174.700 0.004 0.000 1.109 101 T CA 0.363 62.458 62.100 -0.010 0.000 1.119 101 T CB -0.248 68.651 68.868 0.052 0.000 0.900 101 T HN 0.145 nan 8.240 nan 0.000 0.503 102 K N 1.395 121.793 120.400 -0.003 0.000 2.219 102 K HA 0.388 4.704 4.320 -0.008 0.000 0.280 102 K C 0.543 177.153 176.600 0.016 0.000 1.104 102 K CA -0.262 56.047 56.287 0.036 0.000 0.925 102 K CB 0.705 33.238 32.500 0.055 0.000 1.261 102 K HN 0.253 nan 8.250 nan 0.000 0.445 103 L N 1.776 123.012 121.223 0.023 0.000 2.270 103 L HA -0.006 4.330 4.340 -0.008 0.000 0.210 103 L C 1.438 178.313 176.870 0.009 0.000 1.104 103 L CA 0.724 55.565 54.840 0.002 0.000 0.804 103 L CB -0.532 41.524 42.059 -0.006 0.000 0.937 103 L HN 1.029 nan 8.230 nan 0.000 0.450 104 G N -0.127 108.690 108.800 0.029 0.000 2.611 104 G HA2 -0.409 3.546 3.960 -0.008 0.000 0.301 104 G HA3 -0.409 3.546 3.960 -0.008 0.000 0.301 104 G C 0.430 175.392 174.900 0.104 0.000 1.233 104 G CA 0.682 45.774 45.100 -0.013 0.000 0.993 104 G HN 0.084 nan 8.290 nan 0.000 0.553 105 Y N 0.926 121.280 120.300 0.089 0.000 2.315 105 Y HA 0.093 4.638 4.550 -0.007 0.000 0.288 105 Y C 3.311 179.268 175.900 0.095 0.000 1.154 105 Y CA 1.603 59.801 58.100 0.163 0.000 1.229 105 Y CB -1.320 37.327 38.460 0.312 0.000 0.980 105 Y HN 0.722 nan 8.280 nan 0.000 0.540 106 A N -0.101 122.761 122.820 0.070 0.000 2.178 106 A HA 0.013 4.328 4.320 -0.008 0.000 0.218 106 A C 2.407 179.915 177.584 -0.127 0.000 1.157 106 A CA 1.248 53.145 52.037 -0.233 0.000 0.689 106 A CB -0.874 18.012 19.000 -0.191 0.000 0.787 106 A HN 0.350 nan 8.150 nan 0.000 0.465 107 A N -0.602 122.213 122.820 -0.008 0.000 2.119 107 A HA 0.309 4.625 4.320 -0.008 0.000 0.216 107 A C 0.996 178.588 177.584 0.013 0.000 1.152 107 A CA 0.021 52.059 52.037 0.001 0.000 0.708 107 A CB -0.352 18.665 19.000 0.029 0.000 0.805 107 A HN 0.459 nan 8.150 nan 0.000 0.460 108 L N 0.722 121.975 121.223 0.050 0.000 2.461 108 L HA 0.166 4.502 4.340 -0.008 0.000 0.272 108 L C -2.110 174.787 176.870 0.044 0.000 1.197 108 L CA -1.826 53.055 54.840 0.068 0.000 0.836 108 L CB 0.220 42.365 42.059 0.142 0.000 1.105 108 L HN 0.056 nan 8.230 nan 0.000 0.477 109 P HA -0.069 nan 4.420 nan 0.000 0.267 109 P C 0.456 177.795 177.300 0.065 0.000 1.201 109 P CA 0.023 63.142 63.100 0.032 0.000 0.775 109 P CB 0.507 32.220 31.700 0.023 0.000 0.854 110 E N 1.534 121.765 120.200 0.052 0.000 2.065 110 E HA -0.327 4.018 4.350 -0.008 0.000 0.201 110 E C 0.912 177.574 176.600 0.104 0.000 1.016 110 E CA 1.873 58.321 56.400 0.081 0.000 0.818 110 E CB -0.130 29.601 29.700 0.051 0.000 0.749 110 E HN 0.406 nan 8.360 nan 0.000 0.453 111 D N 0.399 120.836 120.400 0.061 0.000 2.117 111 D HA -0.141 4.494 4.640 -0.008 0.000 0.197 111 D C 1.641 177.963 176.300 0.037 0.000 0.987 111 D CA 1.059 55.084 54.000 0.042 0.000 0.829 111 D CB -0.412 40.401 40.800 0.022 0.000 0.961 111 D HN 0.241 nan 8.370 nan 0.000 0.460 112 D N -0.363 120.063 120.400 0.043 0.000 2.117 112 D HA -0.166 4.469 4.640 -0.008 0.000 0.197 112 D C 1.933 178.256 176.300 0.037 0.000 0.987 112 D CA 0.617 54.632 54.000 0.025 0.000 0.829 112 D CB -0.421 40.393 40.800 0.023 0.000 0.961 112 D HN 0.263 nan 8.370 nan 0.000 0.460 113 Y N 1.588 121.870 120.300 -0.030 0.000 2.181 113 Y HA -0.159 4.386 4.550 -0.008 0.000 0.288 113 Y C 2.266 178.150 175.900 -0.026 0.000 1.146 113 Y CA 1.584 59.669 58.100 -0.026 0.000 1.164 113 Y CB -0.409 38.057 38.460 0.009 0.000 0.982 113 Y HN -0.053 nan 8.280 nan 0.000 0.515 114 A N -0.069 122.746 122.820 -0.008 0.000 1.933 114 A HA -0.229 4.086 4.320 -0.008 0.000 0.218 114 A C 2.241 179.752 177.584 -0.122 0.000 1.175 114 A CA 1.834 53.823 52.037 -0.080 0.000 0.628 114 A CB -0.854 18.150 19.000 0.007 0.000 0.814 114 A HN 0.633 nan 8.150 nan 0.000 0.444 115 E N -0.664 119.483 120.200 -0.087 0.000 2.072 115 E HA -0.187 4.159 4.350 -0.008 0.000 0.191 115 E C 1.900 178.426 176.600 -0.124 0.000 0.985 115 E CA 1.233 57.584 56.400 -0.083 0.000 0.801 115 E CB -0.165 29.502 29.700 -0.054 0.000 0.750 115 E HN 0.449 nan 8.360 nan 0.000 0.452 116 L N 1.000 122.112 121.223 -0.184 0.000 2.017 116 L HA -0.158 4.178 4.340 -0.008 0.000 0.208 116 L C 2.124 178.844 176.870 -0.250 0.000 1.073 116 L CA 1.559 56.258 54.840 -0.236 0.000 0.745 116 L CB -0.498 41.352 42.059 -0.348 0.000 0.894 116 L HN 0.215 nan 8.230 nan 0.000 0.432 117 L N -0.656 120.361 121.223 -0.344 0.000 2.083 117 L HA -0.221 4.114 4.340 -0.008 0.000 0.209 117 L C 2.255 179.024 176.870 -0.168 0.000 1.083 117 L CA 1.340 56.012 54.840 -0.281 0.000 0.752 117 L CB -0.882 40.968 42.059 -0.349 0.000 0.899 117 L HN 0.298 nan 8.230 nan 0.000 0.433 118 D N -0.605 119.711 120.400 -0.140 0.000 2.144 118 D HA -0.134 4.501 4.640 -0.008 0.000 0.200 118 D C 2.192 178.456 176.300 -0.060 0.000 0.978 118 D CA 1.615 55.563 54.000 -0.088 0.000 0.833 118 D CB -0.167 40.594 40.800 -0.066 0.000 0.961 118 D HN 0.273 nan 8.370 nan 0.000 0.470 119 T N 1.214 115.730 114.554 -0.063 0.000 2.777 119 T HA -0.053 4.293 4.350 -0.008 0.000 0.266 119 T C 2.266 176.944 174.700 -0.037 0.000 1.040 119 T CA 0.536 62.617 62.100 -0.031 0.000 1.141 119 T CB -0.224 68.633 68.868 -0.018 0.000 0.868 119 T HN 0.115 nan 8.240 nan 0.000 0.444 120 L N 1.520 122.701 121.223 -0.069 0.000 2.017 120 L HA -0.113 4.222 4.340 -0.008 0.000 0.208 120 L C 2.968 179.821 176.870 -0.029 0.000 1.073 120 L CA 1.535 56.329 54.840 -0.077 0.000 0.745 120 L CB -0.769 41.248 42.059 -0.070 0.000 0.894 120 L HN 0.382 nan 8.230 nan 0.000 0.432 121 S N 0.001 115.687 115.700 -0.022 0.000 2.402 121 S HA -0.113 4.352 4.470 -0.008 0.000 0.229 121 S C 2.176 176.830 174.600 0.090 0.000 1.021 121 S CA 0.720 58.942 58.200 0.036 0.000 0.974 121 S CB -0.455 62.688 63.200 -0.094 0.000 0.800 121 S HN 0.345 nan 8.310 nan 0.000 0.484 122 A N 2.228 125.074 122.820 0.044 0.000 1.908 122 A HA 0.027 4.342 4.320 -0.008 0.000 0.218 122 A C 2.371 180.000 177.584 0.075 0.000 1.181 122 A CA 1.758 53.831 52.037 0.060 0.000 0.627 122 A CB -0.750 18.272 19.000 0.038 0.000 0.818 122 A HN 0.577 nan 8.150 nan 0.000 0.445 123 M N -1.572 118.060 119.600 0.053 0.000 2.156 123 M HA -0.111 4.364 4.480 -0.008 0.000 0.264 123 M C 2.235 178.581 176.300 0.077 0.000 1.067 123 M CA 1.866 57.200 55.300 0.056 0.000 1.131 123 M CB -0.362 32.243 32.600 0.009 0.000 1.368 123 M HN 0.634 nan 8.290 nan 0.000 0.416 124 E N 0.648 120.887 120.200 0.065 0.000 2.077 124 E HA -0.177 4.168 4.350 -0.008 0.000 0.193 124 E C 1.970 178.698 176.600 0.212 0.000 0.989 124 E CA 1.958 58.424 56.400 0.110 0.000 0.800 124 E CB 0.101 29.872 29.700 0.118 0.000 0.746 124 E HN 0.489 nan 8.360 nan 0.000 0.452 125 S N 0.449 116.269 115.700 0.201 0.000 2.383 125 S HA -0.201 4.264 4.470 -0.008 0.000 0.227 125 S C 1.967 176.653 174.600 0.144 0.000 1.026 125 S CA 1.133 59.438 58.200 0.175 0.000 0.981 125 S CB -0.639 62.682 63.200 0.202 0.000 0.818 125 S HN 0.363 nan 8.310 nan 0.000 0.472 126 N N 0.950 119.730 118.700 0.134 0.000 2.043 126 N HA -0.191 4.544 4.740 -0.008 0.000 0.193 126 N C 1.646 177.223 175.510 0.112 0.000 1.037 126 N CA 1.730 54.840 53.050 0.099 0.000 0.851 126 N CB -0.487 38.049 38.487 0.082 0.000 1.027 126 N HN 0.494 nan 8.380 nan 0.000 0.422 127 F N 1.610 121.582 119.950 0.037 0.000 2.095 127 F HA -0.125 4.397 4.527 -0.008 0.000 0.298 127 F C 2.444 178.324 175.800 0.134 0.000 1.104 127 F CA 1.863 59.906 58.000 0.072 0.000 1.232 127 F CB -0.454 38.611 39.000 0.109 0.000 0.987 127 F HN 0.141 nan 8.300 nan 0.000 0.475 128 A N -0.467 122.547 122.820 0.323 0.000 2.014 128 A HA -0.127 4.189 4.320 -0.008 0.000 0.218 128 A C 2.029 179.659 177.584 0.076 0.000 1.163 128 A CA 1.381 53.548 52.037 0.217 0.000 0.652 128 A CB -0.505 18.611 19.000 0.194 0.000 0.808 128 A HN 0.454 nan 8.150 nan 0.000 0.449 129 K N -0.288 120.144 120.400 0.053 0.000 2.404 129 K HA 0.220 4.535 4.320 -0.008 0.000 0.194 129 K C -0.310 176.293 176.600 0.004 0.000 1.023 129 K CA -0.252 56.051 56.287 0.027 0.000 1.094 129 K CB 0.400 32.920 32.500 0.033 0.000 0.841 129 K HN 0.232 nan 8.250 nan 0.000 0.523 130 V N 3.278 123.173 119.914 -0.032 0.000 2.557 130 V HA -0.068 4.048 4.120 -0.008 0.000 0.301 130 V C 0.209 176.314 176.094 0.018 0.000 1.026 130 V CA 0.655 62.928 62.300 -0.044 0.000 1.137 130 V CB 0.193 31.933 31.823 -0.137 0.000 0.917 130 V HN 0.135 nan 8.190 nan 0.000 0.484 131 K N 4.210 124.628 120.400 0.030 0.000 2.427 131 K HA 0.683 4.998 4.320 -0.008 0.000 0.252 131 K C -0.748 175.898 176.600 0.077 0.000 0.931 131 K CA -0.525 55.797 56.287 0.059 0.000 0.793 131 K CB 2.415 34.944 32.500 0.049 0.000 1.211 131 K HN 0.528 nan 8.250 nan 0.000 0.426 132 V N -1.747 118.239 119.914 0.120 0.000 3.046 132 V HA 0.613 4.728 4.120 -0.008 0.000 0.316 132 V C -0.040 176.167 176.094 0.188 0.000 1.104 132 V CA -0.892 61.495 62.300 0.145 0.000 1.006 132 V CB 1.760 33.693 31.823 0.183 0.000 1.058 132 V HN 0.795 nan 8.190 nan 0.000 0.440 133 c N 2.219 120.944 118.600 0.208 0.000 2.463 133 c HA 0.377 4.943 4.570 -0.008 0.000 0.380 133 c C 0.463 174.752 174.090 0.330 0.000 1.264 133 c CA -0.198 56.266 56.329 0.224 0.000 2.161 133 c CB 0.004 42.622 42.510 0.180 0.000 2.515 133 c HN 1.026 nan 8.230 nan 0.000 0.565 134 D N 0.402 120.955 120.400 0.255 0.000 2.488 134 D HA -0.104 4.531 4.640 -0.008 0.000 0.238 134 D C 0.571 176.948 176.300 0.128 0.000 1.138 134 D CA 0.311 54.480 54.000 0.281 0.000 0.873 134 D CB 0.357 41.259 40.800 0.171 0.000 1.183 134 D HN 0.699 nan 8.370 nan 0.000 0.458 135 Y N 4.338 124.596 120.300 -0.071 0.000 2.207 135 Y HA -0.160 4.385 4.550 -0.008 0.000 0.287 135 Y C 1.663 177.355 175.900 -0.345 0.000 1.156 135 Y CA 1.681 59.427 58.100 -0.589 0.000 1.182 135 Y CB 0.258 38.457 38.460 -0.435 0.000 0.979 135 Y HN 0.401 nan 8.280 nan 0.000 0.521 136 K N -0.933 119.354 120.400 -0.188 0.000 2.353 136 K HA 0.070 4.385 4.320 -0.008 0.000 0.195 136 K C -0.399 176.116 176.600 -0.141 0.000 1.031 136 K CA 0.485 56.635 56.287 -0.229 0.000 1.079 136 K CB 0.598 33.048 32.500 -0.083 0.000 0.857 136 K HN 0.016 nan 8.250 nan 0.000 0.535 137 D N 0.282 120.632 120.400 -0.083 0.000 2.336 137 D HA 0.023 4.659 4.640 -0.008 0.000 0.248 137 D C 0.412 176.703 176.300 -0.015 0.000 1.326 137 D CA -0.192 53.785 54.000 -0.039 0.000 0.973 137 D CB 1.111 41.912 40.800 0.001 0.000 1.255 137 D HN -0.008 nan 8.370 nan 0.000 0.558 138 S N 0.896 116.575 115.700 -0.035 0.000 2.547 138 S HA -0.095 4.370 4.470 -0.008 0.000 0.235 138 S C 1.423 176.034 174.600 0.019 0.000 0.980 138 S CA 0.845 59.044 58.200 -0.003 0.000 0.941 138 S CB -0.033 63.156 63.200 -0.019 0.000 0.763 138 S HN 0.352 nan 8.310 nan 0.000 0.532 139 T N 1.375 115.937 114.554 0.013 0.000 2.851 139 T HA 0.095 4.440 4.350 -0.008 0.000 0.262 139 T C 0.838 175.559 174.700 0.034 0.000 1.043 139 T CA 0.657 62.769 62.100 0.020 0.000 1.140 139 T CB -0.158 68.717 68.868 0.012 0.000 0.872 139 T HN 0.399 nan 8.240 nan 0.000 0.446 140 K N 1.724 122.149 120.400 0.042 0.000 2.262 140 K HA 0.210 4.525 4.320 -0.008 0.000 0.288 140 K C -0.963 175.685 176.600 0.081 0.000 1.090 140 K CA -0.238 56.083 56.287 0.057 0.000 0.918 140 K CB -0.128 32.408 32.500 0.059 0.000 1.139 140 K HN 0.244 nan 8.250 nan 0.000 0.462 141 c N 3.997 122.640 118.600 0.073 0.000 2.624 141 c HA 0.167 4.732 4.570 -0.008 0.000 0.263 141 c C 0.046 174.182 174.090 0.077 0.000 1.587 141 c CA -0.783 55.598 56.329 0.086 0.000 1.718 141 c CB -0.915 41.639 42.510 0.073 0.000 3.050 141 c HN 0.804 nan 8.230 nan 0.000 0.517 142 D N -0.680 119.765 120.400 0.076 0.000 2.623 142 D HA 0.162 4.797 4.640 -0.008 0.000 0.252 142 D C -0.225 176.114 176.300 0.065 0.000 1.294 142 D CA -0.250 53.787 54.000 0.061 0.000 0.824 142 D CB -0.084 40.744 40.800 0.046 0.000 1.070 142 D HN 0.198 nan 8.370 nan 0.000 0.487 143 L N 1.522 122.799 121.223 0.091 0.000 2.315 143 L HA 0.546 4.881 4.340 -0.008 0.000 0.283 143 L C 0.682 177.593 176.870 0.068 0.000 1.089 143 L CA -0.238 54.653 54.840 0.084 0.000 0.833 143 L CB 1.166 43.308 42.059 0.138 0.000 1.170 143 L HN 0.143 nan 8.230 nan 0.000 0.442 144 A N 2.643 125.484 122.820 0.035 0.000 2.264 144 A HA 0.448 4.763 4.320 -0.008 0.000 0.304 144 A C 0.977 178.552 177.584 -0.014 0.000 1.100 144 A CA -0.544 51.508 52.037 0.025 0.000 0.839 144 A CB 0.537 19.550 19.000 0.021 0.000 1.121 144 A HN 0.728 nan 8.150 nan 0.000 0.496 145 L N 0.092 121.296 121.223 -0.031 0.000 1.990 145 L HA -0.089 4.247 4.340 -0.008 0.000 0.213 145 L C 0.485 177.306 176.870 -0.082 0.000 1.072 145 L CA 2.319 57.071 54.840 -0.146 0.000 0.755 145 L CB -0.199 41.745 42.059 -0.192 0.000 0.889 145 L HN 0.726 nan 8.230 nan 0.000 0.432 146 D N -1.070 119.324 120.400 -0.011 0.000 2.392 146 D HA 0.275 4.910 4.640 -0.008 0.000 0.228 146 D C -2.009 174.294 176.300 0.004 0.000 1.074 146 D CA -2.214 51.791 54.000 0.007 0.000 0.838 146 D CB 1.595 42.420 40.800 0.043 0.000 1.067 146 D HN 0.151 nan 8.370 nan 0.000 0.511 147 P HA 0.167 nan 4.420 nan 0.000 0.268 147 P C 0.665 177.932 177.300 -0.054 0.000 1.248 147 P CA 0.124 63.211 63.100 -0.022 0.000 0.851 147 P CB 1.186 32.880 31.700 -0.010 0.000 1.238 148 E N 0.829 120.996 120.200 -0.055 0.000 2.017 148 E HA -0.109 4.236 4.350 -0.008 0.000 0.193 148 E C 2.032 178.528 176.600 -0.174 0.000 0.997 148 E CA 1.398 57.748 56.400 -0.082 0.000 0.804 148 E CB -0.959 28.717 29.700 -0.039 0.000 0.757 148 E HN 0.242 nan 8.360 nan 0.000 0.448 149 I N 0.762 121.213 120.570 -0.198 0.000 2.252 149 I HA -0.213 3.952 4.170 -0.008 0.000 0.245 149 I C 2.161 178.093 176.117 -0.308 0.000 1.102 149 I CA 1.110 62.215 61.300 -0.324 0.000 1.385 149 I CB -0.330 37.508 38.000 -0.269 0.000 1.064 149 I HN 0.095 nan 8.210 nan 0.000 0.414 150 E N 0.679 120.739 120.200 -0.233 0.000 2.153 150 E HA -0.276 4.070 4.350 -0.008 0.000 0.194 150 E C 2.053 178.574 176.600 -0.133 0.000 0.988 150 E CA 1.139 57.432 56.400 -0.178 0.000 0.811 150 E CB -0.051 29.591 29.700 -0.096 0.000 0.746 150 E HN 0.489 nan 8.360 nan 0.000 0.466 151 E N 0.335 120.459 120.200 -0.127 0.000 2.072 151 E HA -0.164 4.182 4.350 -0.008 0.000 0.191 151 E C 2.075 178.605 176.600 -0.116 0.000 0.985 151 E CA 1.037 57.378 56.400 -0.097 0.000 0.801 151 E CB 0.247 29.900 29.700 -0.078 0.000 0.750 151 E HN 0.034 nan 8.360 nan 0.000 0.452 152 V N 1.584 121.381 119.914 -0.195 0.000 2.307 152 V HA -0.262 3.853 4.120 -0.008 0.000 0.245 152 V C 2.403 178.420 176.094 -0.128 0.000 1.045 152 V CA 1.245 63.423 62.300 -0.203 0.000 1.024 152 V CB -0.426 31.127 31.823 -0.449 0.000 0.651 152 V HN 0.380 nan 8.190 nan 0.000 0.449 153 I N 1.531 122.012 120.570 -0.149 0.000 2.264 153 I HA -0.216 3.950 4.170 -0.008 0.000 0.248 153 I C 2.627 178.714 176.117 -0.051 0.000 1.111 153 I CA 2.366 63.617 61.300 -0.083 0.000 1.382 153 I CB -1.358 36.566 38.000 -0.127 0.000 1.060 153 I HN 0.566 nan 8.210 nan 0.000 0.418 154 S N -0.149 115.519 115.700 -0.054 0.000 2.446 154 S HA -0.024 4.442 4.470 -0.008 0.000 0.225 154 S C 1.830 176.422 174.600 -0.013 0.000 1.016 154 S CA 0.370 58.558 58.200 -0.021 0.000 0.943 154 S CB 0.038 63.229 63.200 -0.015 0.000 0.786 154 S HN 0.444 nan 8.310 nan 0.000 0.508 155 K N 0.797 121.184 120.400 -0.022 0.000 2.367 155 K HA 0.278 4.593 4.320 -0.008 0.000 0.198 155 K C 0.711 177.314 176.600 0.004 0.000 1.132 155 K CA 0.184 56.465 56.287 -0.010 0.000 0.941 155 K CB 0.287 32.779 32.500 -0.014 0.000 1.052 155 K HN 0.268 nan 8.250 nan 0.000 0.507 156 S N 1.294 116.997 115.700 0.006 0.000 2.549 156 S HA 0.073 4.538 4.470 -0.008 0.000 0.283 156 S C 0.553 175.193 174.600 0.067 0.000 1.320 156 S CA -0.295 57.926 58.200 0.035 0.000 1.058 156 S CB 0.435 63.657 63.200 0.036 0.000 0.882 156 S HN 0.121 nan 8.310 nan 0.000 0.498 157 R N 2.807 123.369 120.500 0.103 0.000 2.652 157 R HA 0.239 4.574 4.340 -0.008 0.000 0.372 157 R C -0.632 175.842 176.300 0.289 0.000 1.104 157 R CA -0.296 55.925 56.100 0.201 0.000 1.072 157 R CB -0.469 29.916 30.300 0.142 0.000 1.367 157 R HN 0.587 nan 8.270 nan 0.000 0.577 158 D N 1.665 122.172 120.400 0.177 0.000 2.428 158 D HA 0.002 4.637 4.640 -0.008 0.000 0.221 158 D C 1.419 177.751 176.300 0.053 0.000 1.123 158 D CA -0.198 53.868 54.000 0.110 0.000 0.869 158 D CB 0.604 41.422 40.800 0.030 0.000 1.032 158 D HN 0.321 nan 8.370 nan 0.000 0.506 159 H N 2.929 122.072 119.070 0.123 0.000 2.421 159 H HA -0.064 4.487 4.556 -0.008 0.000 0.298 159 H C 0.624 175.995 175.328 0.072 0.000 1.087 159 H CA 0.894 56.929 56.048 -0.022 0.000 1.330 159 H CB 0.223 29.889 29.762 -0.159 0.000 1.388 159 H HN 0.489 nan 8.280 nan 0.000 0.526 160 E N 0.907 120.873 120.200 -0.390 0.000 2.107 160 E HA -0.136 4.209 4.350 -0.008 0.000 0.191 160 E C 2.232 178.687 176.600 -0.241 0.000 0.982 160 E CA 0.667 56.949 56.400 -0.198 0.000 0.809 160 E CB 0.070 29.661 29.700 -0.182 0.000 0.756 160 E HN 0.666 nan 8.360 nan 0.000 0.459 161 E N 1.310 121.256 120.200 -0.423 0.000 2.051 161 E HA -0.199 4.146 4.350 -0.008 0.000 0.192 161 E C 2.232 178.733 176.600 -0.165 0.000 0.991 161 E CA 0.779 56.706 56.400 -0.787 0.000 0.799 161 E CB -0.040 29.362 29.700 -0.496 0.000 0.748 161 E HN 0.157 nan 8.360 nan 0.000 0.449 162 L N 0.465 121.708 121.223 0.033 0.000 2.042 162 L HA -0.216 4.119 4.340 -0.008 0.000 0.210 162 L C 2.691 179.721 176.870 0.267 0.000 1.076 162 L CA 1.325 56.284 54.840 0.198 0.000 0.749 162 L CB -0.483 41.667 42.059 0.152 0.000 0.893 162 L HN 0.247 nan 8.230 nan 0.000 0.432 163 A N -0.967 121.967 122.820 0.191 0.000 1.930 163 A HA -0.264 4.051 4.320 -0.008 0.000 0.217 163 A C 2.182 179.804 177.584 0.063 0.000 1.175 163 A CA 1.379 53.393 52.037 -0.039 0.000 0.627 163 A CB -0.831 18.033 19.000 -0.227 0.000 0.815 163 A HN 0.500 nan 8.150 nan 0.000 0.443 164 Y N -0.752 119.497 120.300 -0.086 0.000 2.128 164 Y HA -0.294 4.252 4.550 -0.008 0.000 0.284 164 Y C 2.119 177.976 175.900 -0.071 0.000 1.154 164 Y CA 2.145 60.174 58.100 -0.117 0.000 1.149 164 Y CB -0.551 37.747 38.460 -0.270 0.000 0.976 164 Y HN 0.349 nan 8.280 nan 0.000 0.505 165 Y N -1.607 118.695 120.300 0.002 0.000 2.242 165 Y HA -0.210 4.336 4.550 -0.008 0.000 0.291 165 Y C 2.341 178.264 175.900 0.038 0.000 1.137 165 Y CA 1.489 59.559 58.100 -0.050 0.000 1.181 165 Y CB -1.166 37.327 38.460 0.056 0.000 0.989 165 Y HN 0.375 nan 8.280 nan 0.000 0.527 166 W N 1.061 122.415 121.300 0.089 0.000 2.333 166 W HA -0.254 4.401 4.660 -0.008 0.000 0.316 166 W C 2.808 179.396 176.519 0.115 0.000 1.215 166 W CA 2.484 59.890 57.345 0.102 0.000 1.278 166 W CB -0.297 29.129 29.460 -0.056 0.000 1.154 166 W HN -0.136 nan 8.180 nan 0.000 0.486 167 R N 0.248 120.987 120.500 0.397 0.000 2.073 167 R HA -0.182 4.153 4.340 -0.008 0.000 0.234 167 R C 2.109 178.427 176.300 0.030 0.000 1.134 167 R CA 1.800 58.054 56.100 0.257 0.000 0.952 167 R CB -0.485 29.909 30.300 0.155 0.000 0.850 167 R HN 0.115 nan 8.270 nan 0.000 0.433 168 E N 0.077 120.207 120.200 -0.117 0.000 2.058 168 E HA -0.219 4.127 4.350 -0.008 0.000 0.194 168 E C 1.689 178.270 176.600 -0.032 0.000 0.997 168 E CA 1.168 57.476 56.400 -0.154 0.000 0.801 168 E CB -0.459 29.024 29.700 -0.362 0.000 0.746 168 E HN 0.309 nan 8.360 nan 0.000 0.450 169 F N 0.394 120.275 119.950 -0.115 0.000 2.084 169 F HA -0.216 4.306 4.527 -0.008 0.000 0.296 169 F C 2.183 177.871 175.800 -0.187 0.000 1.111 169 F CA 1.264 59.174 58.000 -0.149 0.000 1.224 169 F CB -0.506 38.385 39.000 -0.181 0.000 0.991 169 F HN -0.035 nan 8.300 nan 0.000 0.471 170 Y N 0.915 120.974 120.300 -0.402 0.000 2.224 170 Y HA -0.229 4.316 4.550 -0.008 0.000 0.289 170 Y C 2.374 178.088 175.900 -0.310 0.000 1.146 170 Y CA 1.788 59.603 58.100 -0.476 0.000 1.182 170 Y CB -0.857 37.166 38.460 -0.729 0.000 0.983 170 Y HN 0.081 nan 8.280 nan 0.000 0.524 171 D N -0.213 120.151 120.400 -0.060 0.000 2.144 171 D HA -0.142 4.493 4.640 -0.008 0.000 0.199 171 D C 1.871 178.113 176.300 -0.096 0.000 0.984 171 D CA 1.456 55.436 54.000 -0.034 0.000 0.834 171 D CB -0.132 40.665 40.800 -0.004 0.000 0.955 171 D HN 0.343 nan 8.370 nan 0.000 0.465 172 K N -0.058 120.227 120.400 -0.191 0.000 2.166 172 K HA 0.188 4.504 4.320 -0.008 0.000 0.201 172 K C 1.931 178.359 176.600 -0.287 0.000 1.052 172 K CA 0.783 56.950 56.287 -0.201 0.000 0.969 172 K CB 0.249 32.639 32.500 -0.184 0.000 0.761 172 K HN -0.010 nan 8.250 nan 0.000 0.459 173 A N 0.634 123.127 122.820 -0.545 0.000 2.044 173 A HA 0.152 4.467 4.320 -0.008 0.000 0.213 173 A C 1.956 179.374 177.584 -0.277 0.000 1.169 173 A CA 1.136 52.852 52.037 -0.536 0.000 0.724 173 A CB -0.187 18.116 19.000 -1.162 0.000 0.840 173 A HN 0.352 nan 8.150 nan 0.000 0.463 174 G N -1.126 107.505 108.800 -0.281 0.000 2.765 174 G HA2 0.108 4.064 3.960 -0.008 0.000 0.218 174 G HA3 0.108 4.064 3.960 -0.008 0.000 0.218 174 G C 1.421 176.331 174.900 0.017 0.000 1.271 174 G CA 1.154 46.153 45.100 -0.168 0.000 0.865 174 G HN 0.276 nan 8.290 nan 0.000 0.604 175 T N 2.288 116.873 114.554 0.052 0.000 2.759 175 T HA -0.083 4.262 4.350 -0.008 0.000 0.269 175 T C 2.662 177.429 174.700 0.111 0.000 1.042 175 T CA 1.671 63.859 62.100 0.147 0.000 1.140 175 T CB -0.424 68.514 68.868 0.117 0.000 0.864 175 T HN 0.366 nan 8.240 nan 0.000 0.455 176 A N 1.194 124.042 122.820 0.048 0.000 2.076 176 A HA -0.004 4.312 4.320 -0.008 0.000 0.220 176 A C 2.172 179.793 177.584 0.062 0.000 1.160 176 A CA 1.510 53.570 52.037 0.037 0.000 0.653 176 A CB -0.638 18.363 19.000 0.001 0.000 0.801 176 A HN 0.579 nan 8.150 nan 0.000 0.455 177 V N -3.575 116.399 119.914 0.100 0.000 3.121 177 V HA 0.293 4.409 4.120 -0.008 0.000 0.344 177 V C 1.491 177.695 176.094 0.183 0.000 1.390 177 V CA 0.360 62.739 62.300 0.132 0.000 1.177 177 V CB -0.584 31.323 31.823 0.141 0.000 1.163 177 V HN 0.514 nan 8.190 nan 0.000 0.484 178 R N 2.299 122.874 120.500 0.124 0.000 2.094 178 R HA -0.189 4.146 4.340 -0.008 0.000 0.239 178 R C 2.433 178.714 176.300 -0.031 0.000 1.137 178 R CA 2.568 58.623 56.100 -0.074 0.000 0.943 178 R CB -0.426 29.757 30.300 -0.195 0.000 0.850 178 R HN 0.777 nan 8.270 nan 0.000 0.433 179 S N 0.082 115.782 115.700 0.000 0.000 2.382 179 S HA -0.185 4.280 4.470 -0.008 0.000 0.228 179 S C 1.908 176.546 174.600 0.064 0.000 1.027 179 S CA 1.199 59.403 58.200 0.006 0.000 0.991 179 S CB -0.255 62.944 63.200 -0.003 0.000 0.823 179 S HN 0.403 nan 8.310 nan 0.000 0.469 180 Q N 0.422 120.284 119.800 0.102 0.000 2.079 180 Q HA 0.129 4.464 4.340 -0.008 0.000 0.200 180 Q C 1.822 177.946 176.000 0.207 0.000 0.974 180 Q CA 1.548 57.425 55.803 0.123 0.000 0.840 180 Q CB -0.624 28.180 28.738 0.111 0.000 0.898 180 Q HN 0.634 nan 8.270 nan 0.000 0.430 181 F N 1.495 121.537 119.950 0.153 0.000 2.126 181 F HA -0.209 4.313 4.527 -0.008 0.000 0.299 181 F C 1.840 177.857 175.800 0.363 0.000 1.096 181 F CA 1.518 59.701 58.000 0.305 0.000 1.255 181 F CB 0.061 39.293 39.000 0.387 0.000 0.997 181 F HN 0.097 nan 8.300 nan 0.000 0.479 182 E N -0.471 119.941 120.200 0.353 0.000 2.058 182 E HA -0.296 4.050 4.350 -0.008 0.000 0.194 182 E C 2.241 178.909 176.600 0.114 0.000 0.997 182 E CA 1.313 57.864 56.400 0.253 0.000 0.801 182 E CB -0.231 29.484 29.700 0.025 0.000 0.746 182 E HN 0.134 nan 8.360 nan 0.000 0.450 183 R N 0.482 121.023 120.500 0.069 0.000 2.092 183 R HA -0.173 4.163 4.340 -0.008 0.000 0.231 183 R C 2.124 178.419 176.300 -0.009 0.000 1.119 183 R CA 1.335 57.446 56.100 0.018 0.000 0.970 183 R CB -0.783 29.524 30.300 0.013 0.000 0.864 183 R HN 0.320 nan 8.270 nan 0.000 0.440 184 Y N -0.166 120.058 120.300 -0.126 0.000 2.145 184 Y HA -0.169 4.376 4.550 -0.008 0.000 0.286 184 Y C 1.770 177.540 175.900 -0.217 0.000 1.145 184 Y CA 1.853 59.827 58.100 -0.210 0.000 1.148 184 Y CB -0.584 37.717 38.460 -0.265 0.000 0.981 184 Y HN -0.114 nan 8.280 nan 0.000 0.507 185 V N 1.308 120.904 119.914 -0.530 0.000 2.332 185 V HA -0.319 3.796 4.120 -0.008 0.000 0.248 185 V C 2.287 178.225 176.094 -0.260 0.000 1.055 185 V CA 2.375 64.412 62.300 -0.438 0.000 1.038 185 V CB -0.723 31.059 31.823 -0.068 0.000 0.651 185 V HN 0.481 nan 8.190 nan 0.000 0.450 186 E N -0.038 120.083 120.200 -0.132 0.000 2.051 186 E HA -0.207 4.138 4.350 -0.008 0.000 0.192 186 E C 2.220 178.726 176.600 -0.155 0.000 0.991 186 E CA 1.410 57.751 56.400 -0.098 0.000 0.799 186 E CB -0.218 29.452 29.700 -0.051 0.000 0.748 186 E HN 0.503 nan 8.360 nan 0.000 0.449 187 L N 1.319 122.424 121.223 -0.197 0.000 2.109 187 L HA -0.134 4.201 4.340 -0.008 0.000 0.207 187 L C 2.499 179.199 176.870 -0.284 0.000 1.086 187 L CA 0.544 55.260 54.840 -0.206 0.000 0.760 187 L CB -0.476 41.464 42.059 -0.199 0.000 0.910 187 L HN 0.211 nan 8.230 nan 0.000 0.437 188 N N 0.046 118.483 118.700 -0.438 0.000 2.104 188 N HA -0.184 4.551 4.740 -0.008 0.000 0.190 188 N C 1.629 176.900 175.510 -0.399 0.000 1.024 188 N CA 2.188 54.946 53.050 -0.486 0.000 0.853 188 N CB 0.012 37.966 38.487 -0.887 0.000 1.008 188 N HN 0.233 nan 8.380 nan 0.000 0.424 189 T N 1.080 115.411 114.554 -0.370 0.000 2.708 189 T HA -0.119 4.226 4.350 -0.008 0.000 0.266 189 T C 1.906 176.525 174.700 -0.136 0.000 1.037 189 T CA 1.230 63.184 62.100 -0.243 0.000 1.146 189 T CB -0.154 68.624 68.868 -0.150 0.000 0.865 189 T HN 0.360 nan 8.240 nan 0.000 0.435 190 K N 1.049 121.382 120.400 -0.113 0.000 2.063 190 K HA -0.074 4.241 4.320 -0.008 0.000 0.208 190 K C 2.468 179.050 176.600 -0.031 0.000 1.048 190 K CA 1.261 57.511 56.287 -0.061 0.000 0.928 190 K CB -0.309 32.157 32.500 -0.056 0.000 0.713 190 K HN 0.291 nan 8.250 nan 0.000 0.442 191 A N 0.987 123.793 122.820 -0.025 0.000 1.873 191 A HA -0.084 4.231 4.320 -0.008 0.000 0.215 191 A C 2.341 179.963 177.584 0.063 0.000 1.186 191 A CA 1.803 53.877 52.037 0.061 0.000 0.616 191 A CB -0.874 18.245 19.000 0.197 0.000 0.823 191 A HN 0.474 nan 8.150 nan 0.000 0.442 192 A N -0.110 122.716 122.820 0.010 0.000 1.908 192 A HA -0.199 4.116 4.320 -0.008 0.000 0.218 192 A C 2.118 179.764 177.584 0.104 0.000 1.181 192 A CA 1.920 53.991 52.037 0.057 0.000 0.627 192 A CB -0.468 18.484 19.000 -0.080 0.000 0.818 192 A HN 0.547 nan 8.150 nan 0.000 0.445 193 K N -0.585 119.831 120.400 0.027 0.000 2.148 193 K HA 0.037 4.353 4.320 -0.008 0.000 0.204 193 K C 1.738 178.338 176.600 -0.000 0.000 1.050 193 K CA 1.053 57.346 56.287 0.011 0.000 0.942 193 K CB -0.309 32.185 32.500 -0.009 0.000 0.724 193 K HN 0.456 nan 8.250 nan 0.000 0.446 194 L N 1.213 122.442 121.223 0.010 0.000 2.275 194 L HA -0.133 4.202 4.340 -0.008 0.000 0.215 194 L C 1.402 178.269 176.870 -0.004 0.000 1.119 194 L CA 0.759 55.600 54.840 0.003 0.000 0.790 194 L CB -0.175 41.892 42.059 0.013 0.000 0.919 194 L HN 0.224 nan 8.230 nan 0.000 0.443 195 N N 0.180 118.891 118.700 0.019 0.000 2.322 195 N HA -0.027 4.709 4.740 -0.008 0.000 0.194 195 N C -0.039 175.337 175.510 -0.224 0.000 1.126 195 N CA 0.114 53.149 53.050 -0.025 0.000 0.845 195 N CB 0.224 38.798 38.487 0.145 0.000 0.976 195 N HN 0.209 nan 8.380 nan 0.000 0.475 196 N N 0.087 118.696 118.700 -0.151 0.000 2.741 196 N HA -0.184 4.551 4.740 -0.008 0.000 0.250 196 N C -0.882 174.455 175.510 -0.288 0.000 1.115 196 N CA 0.729 53.660 53.050 -0.199 0.000 0.724 196 N CB -1.771 36.594 38.487 -0.203 0.000 1.090 196 N HN 0.202 nan 8.380 nan 0.000 0.558 197 F N 0.055 119.983 119.950 -0.036 0.000 2.371 197 F HA 0.255 4.777 4.527 -0.008 0.000 0.329 197 F C 2.327 178.094 175.800 -0.055 0.000 1.107 197 F CA -0.313 57.659 58.000 -0.046 0.000 1.137 197 F CB 0.592 39.553 39.000 -0.064 0.000 1.214 197 F HN -0.184 nan 8.300 nan 0.000 0.536 198 T N -0.240 114.406 114.554 0.153 0.000 2.746 198 T HA -0.049 4.296 4.350 -0.008 0.000 0.267 198 T C 0.561 175.278 174.700 0.028 0.000 1.039 198 T CA 1.574 63.710 62.100 0.060 0.000 1.142 198 T CB -0.207 68.685 68.868 0.041 0.000 0.866 198 T HN 0.641 nan 8.240 nan 0.000 0.444 199 S N -1.425 114.280 115.700 0.009 0.000 2.703 199 S HA 0.563 5.028 4.470 -0.008 0.000 0.273 199 S C 1.212 175.677 174.600 -0.224 0.000 1.178 199 S CA -0.211 57.937 58.200 -0.087 0.000 0.838 199 S CB 1.028 64.205 63.200 -0.038 0.000 1.178 199 S HN 0.103 nan 8.310 nan 0.000 0.494 200 G N 0.509 109.016 108.800 -0.488 0.000 2.448 200 G HA2 0.136 4.091 3.960 -0.008 0.000 0.219 200 G HA3 0.136 4.091 3.960 -0.008 0.000 0.219 200 G C 1.459 176.015 174.900 -0.573 0.000 1.127 200 G CA 1.101 45.680 45.100 -0.868 0.000 0.766 200 G HN 1.289 nan 8.290 nan 0.000 0.552 201 A N 1.108 123.857 122.820 -0.117 0.000 1.865 201 A HA -0.056 4.259 4.320 -0.008 0.000 0.217 201 A C 2.212 179.659 177.584 -0.228 0.000 1.191 201 A CA 2.148 54.136 52.037 -0.081 0.000 0.623 201 A CB -0.385 18.489 19.000 -0.210 0.000 0.826 201 A HN 0.335 nan 8.150 nan 0.000 0.444 202 E N -0.080 119.981 120.200 -0.232 0.000 2.106 202 E HA 0.040 4.385 4.350 -0.008 0.000 0.192 202 E C 2.208 178.480 176.600 -0.547 0.000 0.984 202 E CA 1.171 57.440 56.400 -0.219 0.000 0.806 202 E CB -0.463 29.235 29.700 -0.002 0.000 0.750 202 E HN 0.578 nan 8.360 nan 0.000 0.458 203 A N 0.428 122.785 122.820 -0.771 0.000 1.877 203 A HA -0.189 4.127 4.320 -0.008 0.000 0.216 203 A C 1.738 179.074 177.584 -0.413 0.000 1.186 203 A CA 1.346 52.734 52.037 -1.080 0.000 0.620 203 A CB -0.938 17.645 19.000 -0.695 0.000 0.822 203 A HN 0.317 nan 8.150 nan 0.000 0.443 204 W N -0.075 121.076 121.300 -0.250 0.000 2.355 204 W HA -0.046 4.610 4.660 -0.007 0.000 0.309 204 W C 2.075 178.585 176.519 -0.015 0.000 1.206 204 W CA 0.812 58.127 57.345 -0.050 0.000 1.284 204 W CB -1.283 28.309 29.460 0.219 0.000 1.145 204 W HN 0.266 nan 8.180 nan 0.000 0.502 205 L N -0.037 121.318 121.223 0.219 0.000 2.275 205 L HA -0.196 4.139 4.340 -0.008 0.000 0.215 205 L C 1.996 178.939 176.870 0.122 0.000 1.119 205 L CA 1.497 56.479 54.840 0.237 0.000 0.790 205 L CB -0.770 41.331 42.059 0.070 0.000 0.919 205 L HN -0.101 nan 8.230 nan 0.000 0.443 206 D N 0.122 120.498 120.400 -0.041 0.000 2.221 206 D HA -0.214 4.422 4.640 -0.008 0.000 0.204 206 D C 1.960 178.226 176.300 -0.057 0.000 0.982 206 D CA 0.918 54.906 54.000 -0.020 0.000 0.857 206 D CB 0.190 40.940 40.800 -0.084 0.000 0.934 206 D HN 0.198 nan 8.370 nan 0.000 0.475 207 E N -0.712 119.377 120.200 -0.185 0.000 2.333 207 E HA -0.169 4.176 4.350 -0.008 0.000 0.198 207 E C 1.046 177.348 176.600 -0.498 0.000 1.007 207 E CA 0.627 56.806 56.400 -0.368 0.000 0.845 207 E CB -0.248 29.131 29.700 -0.535 0.000 0.766 207 E HN 0.622 nan 8.360 nan 0.000 0.507 208 Y N 0.464 120.646 120.300 -0.196 0.000 2.457 208 Y HA 0.145 4.690 4.550 -0.008 0.000 0.263 208 Y C 0.330 176.230 175.900 -0.000 0.000 1.164 208 Y CA -0.225 57.666 58.100 -0.348 0.000 1.274 208 Y CB 0.135 37.870 38.460 -1.207 0.000 1.097 208 Y HN -0.068 nan 8.280 nan 0.000 0.523 209 E N 1.685 121.954 120.200 0.114 0.000 2.199 209 E HA -0.266 4.080 4.350 -0.008 0.000 0.208 209 E C -0.904 175.788 176.600 0.154 0.000 1.310 209 E CA 0.848 57.320 56.400 0.119 0.000 0.709 209 E CB -0.978 28.768 29.700 0.078 0.000 1.127 209 E HN 0.321 nan 8.360 nan 0.000 0.354 210 D N 0.168 120.685 120.400 0.196 0.000 2.548 210 D HA 0.013 4.648 4.640 -0.008 0.000 0.214 210 D C 0.252 176.703 176.300 0.251 0.000 1.345 210 D CA -0.348 53.804 54.000 0.252 0.000 0.945 210 D CB 0.806 41.880 40.800 0.458 0.000 1.499 210 D HN 0.035 nan 8.370 nan 0.000 0.579 211 D N 1.343 121.851 120.400 0.179 0.000 2.350 211 D HA -0.128 4.507 4.640 -0.008 0.000 0.216 211 D C 1.206 177.601 176.300 0.159 0.000 0.968 211 D CA 0.846 54.936 54.000 0.150 0.000 0.894 211 D CB -0.263 40.601 40.800 0.106 0.000 0.909 211 D HN 0.346 nan 8.370 nan 0.000 0.520 212 T N -4.195 110.476 114.554 0.196 0.000 3.174 212 T HA 0.174 4.519 4.350 -0.008 0.000 0.269 212 T C 1.142 175.971 174.700 0.216 0.000 1.017 212 T CA -0.727 61.477 62.100 0.173 0.000 0.899 212 T CB -0.829 68.121 68.868 0.137 0.000 1.077 212 T HN -0.066 nan 8.240 nan 0.000 0.552 213 F N 2.690 122.707 119.950 0.111 0.000 2.134 213 F HA 0.032 4.554 4.527 -0.008 0.000 0.299 213 F C 2.118 177.956 175.800 0.064 0.000 1.097 213 F CA 1.479 59.539 58.000 0.099 0.000 1.264 213 F CB -0.114 38.943 39.000 0.096 0.000 1.001 213 F HN 0.256 nan 8.300 nan 0.000 0.479 214 E N -0.729 119.563 120.200 0.153 0.000 2.058 214 E HA -0.308 4.037 4.350 -0.008 0.000 0.194 214 E C 2.106 178.777 176.600 0.117 0.000 0.997 214 E CA 1.407 57.888 56.400 0.134 0.000 0.801 214 E CB -0.287 29.476 29.700 0.105 0.000 0.746 214 E HN 0.298 nan 8.360 nan 0.000 0.450 215 Q N 1.018 120.874 119.800 0.093 0.000 2.124 215 Q HA -0.187 4.148 4.340 -0.008 0.000 0.202 215 Q C 1.910 177.942 176.000 0.053 0.000 0.977 215 Q CA 1.611 57.468 55.803 0.090 0.000 0.850 215 Q CB -0.028 28.760 28.738 0.083 0.000 0.901 215 Q HN 0.287 nan 8.270 nan 0.000 0.429 216 Q N -0.565 119.228 119.800 -0.012 0.000 2.096 216 Q HA -0.161 4.174 4.340 -0.008 0.000 0.204 216 Q C 2.099 178.022 176.000 -0.127 0.000 0.982 216 Q CA 1.612 57.371 55.803 -0.074 0.000 0.850 216 Q CB -0.158 28.497 28.738 -0.139 0.000 0.901 216 Q HN 0.395 nan 8.270 nan 0.000 0.422 217 L N 0.483 121.573 121.223 -0.222 0.000 2.093 217 L HA -0.172 4.164 4.340 -0.008 0.000 0.208 217 L C 2.360 179.255 176.870 0.042 0.000 1.085 217 L CA 0.762 55.455 54.840 -0.245 0.000 0.755 217 L CB -0.350 41.423 42.059 -0.478 0.000 0.904 217 L HN 0.181 nan 8.230 nan 0.000 0.435 218 E N 0.287 120.633 120.200 0.243 0.000 2.085 218 E HA -0.228 4.118 4.350 -0.008 0.000 0.194 218 E C 1.742 178.505 176.600 0.272 0.000 0.994 218 E CA 1.384 58.013 56.400 0.381 0.000 0.801 218 E CB -0.265 29.608 29.700 0.287 0.000 0.743 218 E HN 0.498 nan 8.360 nan 0.000 0.453 219 D N 0.563 121.052 120.400 0.148 0.000 2.097 219 D HA -0.092 4.543 4.640 -0.008 0.000 0.195 219 D C 2.175 178.525 176.300 0.083 0.000 0.989 219 D CA 0.691 54.751 54.000 0.099 0.000 0.827 219 D CB -0.321 40.516 40.800 0.061 0.000 0.966 219 D HN 0.189 nan 8.370 nan 0.000 0.456 220 I N 0.064 120.670 120.570 0.059 0.000 2.226 220 I HA -0.235 3.930 4.170 -0.008 0.000 0.245 220 I C 2.206 178.372 176.117 0.081 0.000 1.100 220 I CA 0.618 61.939 61.300 0.035 0.000 1.374 220 I CB -0.190 37.797 38.000 -0.022 0.000 1.057 220 I HN -0.098 nan 8.210 nan 0.000 0.413 221 F N 1.917 121.871 119.950 0.006 0.000 2.134 221 F HA -0.224 4.298 4.527 -0.008 0.000 0.299 221 F C 2.467 178.325 175.800 0.097 0.000 1.097 221 F CA 1.317 59.356 58.000 0.066 0.000 1.264 221 F CB -0.402 38.721 39.000 0.205 0.000 1.001 221 F HN 0.007 nan 8.300 nan 0.000 0.479 222 A N -0.028 122.826 122.820 0.057 0.000 1.940 222 A HA -0.215 4.100 4.320 -0.008 0.000 0.219 222 A C 1.964 179.485 177.584 -0.104 0.000 1.176 222 A CA 2.072 54.080 52.037 -0.048 0.000 0.631 222 A CB -0.970 18.067 19.000 0.061 0.000 0.814 222 A HN 0.454 nan 8.150 nan 0.000 0.446 223 D N -0.126 120.238 120.400 -0.060 0.000 2.144 223 D HA -0.084 4.551 4.640 -0.008 0.000 0.200 223 D C 1.709 177.961 176.300 -0.081 0.000 0.978 223 D CA 0.969 54.939 54.000 -0.050 0.000 0.833 223 D CB -0.154 40.636 40.800 -0.016 0.000 0.961 223 D HN 0.402 nan 8.370 nan 0.000 0.470 224 I N 0.225 120.718 120.570 -0.129 0.000 3.030 224 I HA 0.025 4.190 4.170 -0.008 0.000 0.270 224 I C 2.268 178.277 176.117 -0.180 0.000 1.211 224 I CA 0.211 61.435 61.300 -0.126 0.000 1.479 224 I CB -0.656 37.286 38.000 -0.097 0.000 1.105 224 I HN -0.045 nan 8.210 nan 0.000 0.447 225 R N 1.713 122.000 120.500 -0.355 0.000 2.103 225 R HA -0.168 4.168 4.340 -0.008 0.000 0.242 225 R C -0.464 175.792 176.300 -0.074 0.000 1.142 225 R CA 1.973 57.861 56.100 -0.353 0.000 0.960 225 R CB -0.959 29.012 30.300 -0.548 0.000 0.858 225 R HN 0.207 nan 8.270 nan 0.000 0.439 226 P HA -0.160 nan 4.420 nan 0.000 0.216 226 P C 1.157 178.463 177.300 0.010 0.000 1.150 226 P CA 0.863 63.946 63.100 -0.028 0.000 0.837 226 P CB -0.066 31.611 31.700 -0.037 0.000 0.786 227 L N -1.411 119.818 121.223 0.010 0.000 2.046 227 L HA -0.174 4.161 4.340 -0.008 0.000 0.208 227 L C 2.354 179.258 176.870 0.056 0.000 1.077 227 L CA 1.774 56.630 54.840 0.027 0.000 0.747 227 L CB -1.591 40.467 42.059 -0.000 0.000 0.896 227 L HN -0.081 nan 8.230 nan 0.000 0.432 228 Y N 0.063 120.344 120.300 -0.032 0.000 2.165 228 Y HA -0.275 4.271 4.550 -0.008 0.000 0.286 228 Y C 2.497 178.494 175.900 0.162 0.000 1.155 228 Y CA 2.022 60.138 58.100 0.027 0.000 1.164 228 Y CB -0.247 38.230 38.460 0.028 0.000 0.978 228 Y HN 0.345 nan 8.280 nan 0.000 0.513 229 Q N 0.045 119.884 119.800 0.065 0.000 2.135 229 Q HA -0.222 4.114 4.340 -0.008 0.000 0.204 229 Q C 2.068 178.118 176.000 0.084 0.000 0.981 229 Q CA 1.605 57.447 55.803 0.066 0.000 0.856 229 Q CB -0.436 28.328 28.738 0.042 0.000 0.902 229 Q HN 0.609 nan 8.270 nan 0.000 0.425 230 Q N 0.180 120.020 119.800 0.067 0.000 2.079 230 Q HA -0.025 4.310 4.340 -0.008 0.000 0.200 230 Q C 2.315 178.432 176.000 0.195 0.000 0.974 230 Q CA 0.841 56.708 55.803 0.107 0.000 0.840 230 Q CB -0.200 28.584 28.738 0.078 0.000 0.898 230 Q HN 0.445 nan 8.270 nan 0.000 0.430 231 I N 0.338 120.998 120.570 0.150 0.000 2.202 231 I HA -0.275 3.890 4.170 -0.008 0.000 0.242 231 I C 2.648 178.951 176.117 0.310 0.000 1.091 231 I CA 1.134 62.577 61.300 0.237 0.000 1.368 231 I CB -0.531 37.474 38.000 0.009 0.000 1.058 231 I HN 0.307 nan 8.210 nan 0.000 0.410 232 H N 1.417 120.490 119.070 0.005 0.000 2.289 232 H HA -0.190 4.361 4.556 -0.008 0.000 0.296 232 H C 2.166 177.611 175.328 0.194 0.000 1.091 232 H CA 2.281 58.391 56.048 0.103 0.000 1.274 232 H CB -0.414 29.277 29.762 -0.118 0.000 1.364 232 H HN 0.344 nan 8.280 nan 0.000 0.490 233 G N -0.642 108.378 108.800 0.366 0.000 2.446 233 G HA2 -0.334 3.621 3.960 -0.008 0.000 0.217 233 G HA3 -0.334 3.621 3.960 -0.008 0.000 0.217 233 G C 1.831 176.894 174.900 0.272 0.000 1.168 233 G CA 0.905 46.188 45.100 0.305 0.000 0.771 233 G HN 0.570 nan 8.290 nan 0.000 0.551 234 Y N 0.776 121.203 120.300 0.213 0.000 2.200 234 Y HA -0.103 4.442 4.550 -0.008 0.000 0.290 234 Y C 2.925 179.010 175.900 0.307 0.000 1.137 234 Y CA 1.544 59.806 58.100 0.270 0.000 1.163 234 Y CB -0.109 38.518 38.460 0.278 0.000 0.988 234 Y HN 0.045 nan 8.280 nan 0.000 0.518 235 V N 0.861 120.972 119.914 0.328 0.000 2.343 235 V HA -0.329 3.786 4.120 -0.008 0.000 0.247 235 V C 2.477 178.528 176.094 -0.071 0.000 1.051 235 V CA 2.312 64.708 62.300 0.160 0.000 1.036 235 V CB -0.725 31.242 31.823 0.240 0.000 0.654 235 V HN 0.374 nan 8.190 nan 0.000 0.451 236 R N -0.463 119.974 120.500 -0.106 0.000 2.083 236 R HA -0.231 4.104 4.340 -0.008 0.000 0.237 236 R C 2.301 178.579 176.300 -0.036 0.000 1.137 236 R CA 2.232 58.256 56.100 -0.126 0.000 0.951 236 R CB -0.508 29.721 30.300 -0.117 0.000 0.851 236 R HN 0.478 nan 8.270 nan 0.000 0.434 237 F N 1.640 121.512 119.950 -0.130 0.000 2.091 237 F HA -0.218 4.304 4.527 -0.008 0.000 0.299 237 F C 2.081 177.761 175.800 -0.199 0.000 1.103 237 F CA 1.605 59.513 58.000 -0.153 0.000 1.228 237 F CB -0.172 38.719 39.000 -0.182 0.000 0.984 237 F HN -0.058 nan 8.300 nan 0.000 0.477 238 R N 0.637 120.810 120.500 -0.545 0.000 2.092 238 R HA -0.045 4.291 4.340 -0.008 0.000 0.231 238 R C 2.411 178.518 176.300 -0.323 0.000 1.119 238 R CA 1.312 57.060 56.100 -0.587 0.000 0.970 238 R CB -1.195 28.845 30.300 -0.433 0.000 0.864 238 R HN 0.414 nan 8.270 nan 0.000 0.440 239 L N 0.214 121.320 121.223 -0.196 0.000 2.141 239 L HA -0.108 4.227 4.340 -0.008 0.000 0.209 239 L C 2.595 179.459 176.870 -0.010 0.000 1.094 239 L CA 1.170 55.978 54.840 -0.053 0.000 0.763 239 L CB -0.282 41.736 42.059 -0.069 0.000 0.908 239 L HN 0.116 nan 8.230 nan 0.000 0.437 240 R N 0.181 120.614 120.500 -0.112 0.000 2.096 240 R HA -0.162 4.173 4.340 -0.008 0.000 0.235 240 R C 2.215 178.437 176.300 -0.130 0.000 1.127 240 R CA 1.270 57.311 56.100 -0.097 0.000 0.968 240 R CB -0.153 30.091 30.300 -0.094 0.000 0.861 240 R HN 0.340 nan 8.270 nan 0.000 0.440 241 K N -1.140 119.120 120.400 -0.235 0.000 2.217 241 K HA -0.157 4.159 4.320 -0.008 0.000 0.202 241 K C 1.803 178.301 176.600 -0.170 0.000 1.051 241 K CA 1.236 57.384 56.287 -0.232 0.000 0.952 241 K CB -0.098 32.191 32.500 -0.351 0.000 0.736 241 K HN 0.299 nan 8.250 nan 0.000 0.453 242 H N -0.948 117.973 119.070 -0.249 0.000 2.329 242 H HA -0.015 4.536 4.556 -0.008 0.000 0.306 242 H C 1.164 176.270 175.328 -0.370 0.000 1.062 242 H CA 1.485 57.331 56.048 -0.337 0.000 1.364 242 H CB 0.251 29.744 29.762 -0.449 0.000 1.409 242 H HN 0.106 nan 8.280 nan 0.000 0.519 243 Y N -0.149 120.138 120.300 -0.021 0.000 2.510 243 Y HA 0.276 4.821 4.550 -0.008 0.000 0.273 243 Y C 1.241 177.047 175.900 -0.157 0.000 1.119 243 Y CA 0.582 58.626 58.100 -0.094 0.000 1.286 243 Y CB 0.602 38.989 38.460 -0.123 0.000 1.061 243 Y HN 0.482 nan 8.280 nan 0.000 0.542 244 G N 0.461 109.255 108.800 -0.011 0.000 2.730 244 G HA2 -0.247 3.708 3.960 -0.008 0.000 0.686 244 G HA3 -0.247 3.708 3.960 -0.008 0.000 0.686 244 G C -0.371 174.498 174.900 -0.052 0.000 1.343 244 G CA -0.225 44.846 45.100 -0.049 0.000 0.826 244 G HN 0.203 nan 8.290 nan 0.000 0.582 245 D N 0.343 120.711 120.400 -0.054 0.000 2.312 245 D HA 0.246 4.881 4.640 -0.008 0.000 0.211 245 D C 2.567 178.829 176.300 -0.063 0.000 0.964 245 D CA 1.769 55.737 54.000 -0.053 0.000 0.877 245 D CB -0.055 40.721 40.800 -0.040 0.000 0.924 245 D HN 0.888 nan 8.370 nan 0.000 0.515 246 A N -0.065 122.713 122.820 -0.069 0.000 2.015 246 A HA -0.073 4.243 4.320 -0.008 0.000 0.219 246 A C 2.116 179.631 177.584 -0.115 0.000 1.163 246 A CA 0.921 52.912 52.037 -0.076 0.000 0.646 246 A CB -0.114 18.849 19.000 -0.061 0.000 0.806 246 A HN 0.180 nan 8.150 nan 0.000 0.448 247 V N -1.300 118.518 119.914 -0.160 0.000 2.795 247 V HA 0.073 4.188 4.120 -0.008 0.000 0.243 247 V C 0.341 176.321 176.094 -0.191 0.000 1.069 247 V CA 0.795 62.952 62.300 -0.238 0.000 1.089 247 V CB 0.424 32.003 31.823 -0.407 0.000 0.756 247 V HN 0.170 nan 8.190 nan 0.000 0.471 248 V N 1.598 121.428 119.914 -0.141 0.000 2.443 248 V HA 0.489 4.604 4.120 -0.008 0.000 0.293 248 V C 0.005 176.053 176.094 -0.076 0.000 1.021 248 V CA -0.524 61.703 62.300 -0.121 0.000 0.848 248 V CB 1.574 33.328 31.823 -0.116 0.000 0.998 248 V HN 0.429 nan 8.190 nan 0.000 0.424 249 S N 2.488 118.152 115.700 -0.062 0.000 2.617 249 S HA 0.303 4.768 4.470 -0.008 0.000 0.269 249 S C 0.926 175.522 174.600 -0.006 0.000 1.292 249 S CA -0.121 58.058 58.200 -0.034 0.000 1.010 249 S CB 1.657 64.840 63.200 -0.029 0.000 0.944 249 S HN 0.839 nan 8.310 nan 0.000 0.536 250 E N 0.760 120.956 120.200 -0.006 0.000 2.150 250 E HA -0.139 4.206 4.350 -0.008 0.000 0.193 250 E C 1.420 178.047 176.600 0.044 0.000 0.985 250 E CA 1.620 58.031 56.400 0.019 0.000 0.814 250 E CB -0.195 29.488 29.700 -0.028 0.000 0.752 250 E HN 0.935 nan 8.360 nan 0.000 0.466 251 T N -3.170 111.378 114.554 -0.009 0.000 3.001 251 T HA 0.306 4.651 4.350 -0.008 0.000 0.251 251 T C 0.729 175.541 174.700 0.186 0.000 1.040 251 T CA 0.007 62.115 62.100 0.013 0.000 0.985 251 T CB 0.860 69.635 68.868 -0.155 0.000 1.011 251 T HN 0.111 nan 8.240 nan 0.000 0.509 252 G N 2.092 110.977 108.800 0.142 0.000 2.511 252 G HA2 0.620 4.575 3.960 -0.008 0.000 0.316 252 G HA3 0.620 4.575 3.960 -0.008 0.000 0.316 252 G C -2.974 172.036 174.900 0.183 0.000 1.210 252 G CA -1.954 43.240 45.100 0.155 0.000 0.969 252 G HN 0.077 nan 8.290 nan 0.000 0.492 253 P HA 0.119 nan 4.420 nan 0.000 0.269 253 P C -0.038 177.216 177.300 -0.077 0.000 1.209 253 P CA -0.039 63.035 63.100 -0.043 0.000 0.776 253 P CB 0.625 32.248 31.700 -0.129 0.000 0.876 254 I N 4.331 124.825 120.570 -0.126 0.000 2.533 254 I HA 0.075 4.241 4.170 -0.008 0.000 0.284 254 I C -1.898 174.083 176.117 -0.226 0.000 1.109 254 I CA -1.912 59.251 61.300 -0.228 0.000 1.412 254 I CB 0.176 37.938 38.000 -0.397 0.000 1.396 254 I HN 0.151 nan 8.210 nan 0.000 0.543 255 P HA -0.010 nan 4.420 nan 0.000 0.265 255 P C 0.757 177.943 177.300 -0.190 0.000 1.222 255 P CA 0.011 62.992 63.100 -0.199 0.000 0.767 255 P CB 0.521 32.144 31.700 -0.129 0.000 0.801 256 M N 3.772 123.266 119.600 -0.177 0.000 2.374 256 M HA -0.141 4.335 4.480 -0.008 0.000 0.264 256 M C 1.431 177.694 176.300 -0.062 0.000 1.067 256 M CA 1.514 56.745 55.300 -0.114 0.000 1.103 256 M CB -0.882 31.726 32.600 0.013 0.000 1.402 256 M HN 0.330 nan 8.290 nan 0.000 0.444 257 H N 1.341 120.238 119.070 -0.288 0.000 2.545 257 H HA 0.070 4.621 4.556 -0.008 0.000 0.282 257 H C 1.419 176.645 175.328 -0.170 0.000 1.020 257 H CA 0.787 56.735 56.048 -0.167 0.000 1.243 257 H CB -0.966 28.662 29.762 -0.222 0.000 1.377 257 H HN 0.539 nan 8.280 nan 0.000 0.581 258 L N 0.445 121.320 121.223 -0.580 0.000 2.592 258 L HA 0.159 4.495 4.340 -0.008 0.000 0.227 258 L C 1.569 178.244 176.870 -0.325 0.000 1.127 258 L CA 0.038 54.545 54.840 -0.556 0.000 0.884 258 L CB 0.089 41.699 42.059 -0.750 0.000 1.065 258 L HN 0.125 nan 8.230 nan 0.000 0.457 259 L N -0.010 121.039 121.223 -0.291 0.000 2.628 259 L HA 0.286 4.621 4.340 -0.008 0.000 0.229 259 L C 1.412 178.240 176.870 -0.071 0.000 1.137 259 L CA 0.345 54.992 54.840 -0.322 0.000 0.909 259 L CB 0.018 41.705 42.059 -0.620 0.000 1.137 259 L HN 0.410 nan 8.230 nan 0.000 0.470 260 G N 0.640 109.419 108.800 -0.035 0.000 2.143 260 G HA2 -0.295 3.660 3.960 -0.008 0.000 0.249 260 G HA3 -0.295 3.660 3.960 -0.008 0.000 0.249 260 G C 0.004 174.933 174.900 0.048 0.000 0.981 260 G CA 0.190 45.302 45.100 0.020 0.000 0.665 260 G HN 0.450 nan 8.290 nan 0.000 0.528 261 N N -0.994 117.739 118.700 0.054 0.000 2.367 261 N HA 0.372 5.108 4.740 -0.008 0.000 0.278 261 N C 1.053 176.532 175.510 -0.051 0.000 1.117 261 N CA -0.220 52.859 53.050 0.048 0.000 0.867 261 N CB 1.361 39.961 38.487 0.188 0.000 1.649 261 N HN -0.015 nan 8.380 nan 0.000 0.479 262 M N 2.332 121.684 119.600 -0.414 0.000 2.267 262 M HA 0.078 4.553 4.480 -0.008 0.000 0.263 262 M C 0.482 176.487 176.300 -0.492 0.000 1.063 262 M CA 1.705 56.544 55.300 -0.768 0.000 1.090 262 M CB -0.101 31.414 32.600 -1.808 0.000 1.392 262 M HN 0.621 nan 8.290 nan 0.000 0.422 263 W N -0.981 120.501 121.300 0.303 0.000 3.008 263 W HA 0.578 5.234 4.660 -0.008 0.000 0.355 263 W C 1.054 177.732 176.519 0.265 0.000 1.095 263 W CA 0.185 57.757 57.345 0.379 0.000 1.738 263 W CB -0.898 28.728 29.460 0.276 0.000 1.091 263 W HN 0.366 nan 8.180 nan 0.000 0.574 264 A N 2.074 125.109 122.820 0.359 0.000 2.799 264 A HA -0.355 3.960 4.320 -0.008 0.000 0.287 264 A C 1.775 179.555 177.584 0.327 0.000 1.484 264 A CA 2.002 54.275 52.037 0.393 0.000 0.813 264 A CB -1.980 17.263 19.000 0.405 0.000 1.009 264 A HN 0.589 nan 8.150 nan 0.000 0.545 265 Q N -1.365 118.391 119.800 -0.073 0.000 2.172 265 Q HA 0.019 4.355 4.340 -0.008 0.000 0.200 265 Q C 0.765 176.740 176.000 -0.041 0.000 0.964 265 Q CA 1.448 56.925 55.803 -0.544 0.000 0.855 265 Q CB 0.059 28.181 28.738 -1.026 0.000 0.918 265 Q HN 0.864 nan 8.270 nan 0.000 0.444 266 Q N -1.261 118.603 119.800 0.107 0.000 2.379 266 Q HA 0.223 4.558 4.340 -0.008 0.000 0.278 266 Q C -1.288 174.901 176.000 0.316 0.000 1.068 266 Q CA -0.712 55.138 55.803 0.080 0.000 0.816 266 Q CB 1.557 30.355 28.738 0.100 0.000 1.387 266 Q HN 0.292 nan 8.270 nan 0.000 0.413 267 W N 0.516 121.864 121.300 0.080 0.000 2.846 267 W HA 0.131 4.786 4.660 -0.007 0.000 0.391 267 W C 1.319 177.874 176.519 0.060 0.000 1.011 267 W CA -0.280 57.102 57.345 0.061 0.000 1.832 267 W CB -0.429 29.065 29.460 0.056 0.000 1.151 267 W HN 0.683 nan 8.180 nan 0.000 0.582 268 S N -0.179 115.663 115.700 0.236 0.000 2.442 268 S HA -0.182 4.283 4.470 -0.008 0.000 0.236 268 S C 1.347 176.042 174.600 0.158 0.000 1.007 268 S CA 1.165 59.473 58.200 0.180 0.000 0.965 268 S CB -0.119 63.170 63.200 0.148 0.000 0.773 268 S HN 0.100 nan 8.310 nan 0.000 0.504 269 E N 1.667 121.954 120.200 0.144 0.000 2.338 269 E HA -0.005 4.340 4.350 -0.008 0.000 0.197 269 E C 1.703 178.348 176.600 0.076 0.000 1.007 269 E CA 0.938 57.394 56.400 0.094 0.000 0.849 269 E CB -0.320 29.424 29.700 0.073 0.000 0.774 269 E HN 0.957 nan 8.360 nan 0.000 0.506 270 I N -3.516 117.113 120.570 0.099 0.000 3.891 270 I HA 0.368 4.533 4.170 -0.008 0.000 0.331 270 I C 1.757 177.931 176.117 0.096 0.000 1.406 270 I CA -0.063 61.270 61.300 0.055 0.000 1.139 270 I CB 0.396 38.402 38.000 0.010 0.000 1.056 270 I HN -0.230 nan 8.210 nan 0.000 0.399 271 A N 2.545 125.452 122.820 0.145 0.000 1.978 271 A HA -0.258 4.057 4.320 -0.008 0.000 0.220 271 A C 2.083 179.753 177.584 0.143 0.000 1.170 271 A CA 2.161 54.316 52.037 0.197 0.000 0.636 271 A CB -0.719 18.403 19.000 0.204 0.000 0.810 271 A HN 0.740 nan 8.150 nan 0.000 0.448 272 D N 0.678 121.128 120.400 0.084 0.000 2.263 272 D HA -0.152 4.483 4.640 -0.008 0.000 0.208 272 D C 1.535 177.850 176.300 0.024 0.000 0.971 272 D CA 1.504 55.537 54.000 0.055 0.000 0.867 272 D CB -0.507 40.314 40.800 0.034 0.000 0.929 272 D HN 0.737 nan 8.370 nan 0.000 0.492 273 I N -1.886 118.676 120.570 -0.013 0.000 4.057 273 I HA 0.121 4.286 4.170 -0.008 0.000 0.334 273 I C 1.464 177.557 176.117 -0.041 0.000 1.308 273 I CA -0.209 61.048 61.300 -0.072 0.000 1.125 273 I CB 0.747 38.577 38.000 -0.284 0.000 1.034 273 I HN -0.055 nan 8.210 nan 0.000 0.401 274 V N -1.179 118.764 119.914 0.049 0.000 3.346 274 V HA 0.341 4.457 4.120 -0.008 0.000 0.309 274 V C 0.864 177.065 176.094 0.178 0.000 1.457 274 V CA 0.133 62.499 62.300 0.110 0.000 1.069 274 V CB -0.767 31.192 31.823 0.226 0.000 0.944 274 V HN 0.392 nan 8.190 nan 0.000 0.449 275 S N 0.908 116.688 115.700 0.135 0.000 2.549 275 S HA 0.362 4.827 4.470 -0.008 0.000 0.283 275 S C -1.161 173.415 174.600 -0.039 0.000 1.320 275 S CA -0.362 57.888 58.200 0.082 0.000 1.058 275 S CB 0.971 64.244 63.200 0.123 0.000 0.882 275 S HN 0.268 nan 8.310 nan 0.000 0.498 276 P HA -0.066 nan 4.420 nan 0.000 0.216 276 P C -0.208 176.736 177.300 -0.594 0.000 1.154 276 P CA 1.374 64.196 63.100 -0.463 0.000 0.865 276 P CB -0.038 31.112 31.700 -0.916 0.000 0.789 277 F N -2.812 117.126 119.950 -0.019 0.000 2.564 277 F HA 0.341 4.863 4.527 -0.008 0.000 0.368 277 F C -1.865 173.946 175.800 0.019 0.000 1.127 277 F CA -2.231 55.775 58.000 0.011 0.000 1.170 277 F CB 1.235 40.213 39.000 -0.037 0.000 1.397 277 F HN -0.097 nan 8.300 nan 0.000 0.493 278 P HA -0.124 nan 4.420 nan 0.000 0.222 278 P C 0.866 178.223 177.300 0.096 0.000 1.147 278 P CA 1.323 64.484 63.100 0.101 0.000 0.790 278 P CB 0.279 32.020 31.700 0.067 0.000 0.780 279 E N -1.159 119.109 120.200 0.113 0.000 2.489 279 E HA 0.024 4.370 4.350 -0.008 0.000 0.193 279 E C 0.441 177.073 176.600 0.055 0.000 1.057 279 E CA 0.377 56.822 56.400 0.076 0.000 0.866 279 E CB 0.135 29.878 29.700 0.073 0.000 0.916 279 E HN 0.218 nan 8.360 nan 0.000 0.500 280 K N 1.228 121.673 120.400 0.075 0.000 2.185 280 K HA 0.349 4.665 4.320 -0.008 0.000 0.240 280 K C -2.491 174.133 176.600 0.040 0.000 0.983 280 K CA -2.405 53.893 56.287 0.019 0.000 0.873 280 K CB 0.650 33.139 32.500 -0.018 0.000 1.118 280 K HN -0.137 nan 8.250 nan 0.000 0.441 281 P HA 0.092 nan 4.420 nan 0.000 0.268 281 P C -0.705 176.697 177.300 0.170 0.000 1.204 281 P CA -0.390 62.761 63.100 0.085 0.000 0.768 281 P CB 0.505 32.238 31.700 0.056 0.000 0.842 282 L N 5.005 126.328 121.223 0.167 0.000 2.325 282 L HA 0.274 4.610 4.340 -0.008 0.000 0.281 282 L C -0.586 176.376 176.870 0.152 0.000 1.004 282 L CA -0.832 54.110 54.840 0.170 0.000 0.823 282 L CB 1.835 43.976 42.059 0.137 0.000 1.236 282 L HN 0.056 nan 8.230 nan 0.000 0.415 283 V N 4.666 124.668 119.914 0.147 0.000 2.450 283 V HA 0.241 4.356 4.120 -0.008 0.000 0.281 283 V C -0.265 175.867 176.094 0.064 0.000 1.019 283 V CA 0.153 62.499 62.300 0.076 0.000 1.062 283 V CB 0.484 32.319 31.823 0.021 0.000 0.979 283 V HN 0.754 nan 8.190 nan 0.000 0.477 284 D N 4.035 124.454 120.400 0.033 0.000 2.337 284 D HA 0.172 4.807 4.640 -0.008 0.000 0.238 284 D C 0.275 176.556 176.300 -0.031 0.000 1.331 284 D CA -0.366 53.639 54.000 0.007 0.000 0.967 284 D CB 1.853 42.667 40.800 0.023 0.000 1.382 284 D HN 0.340 nan 8.370 nan 0.000 0.549 285 V N 1.084 120.955 119.914 -0.071 0.000 3.649 285 V HA 0.144 4.260 4.120 -0.008 0.000 0.275 285 V C 1.661 177.665 176.094 -0.151 0.000 1.281 285 V CA 0.522 62.755 62.300 -0.110 0.000 1.143 285 V CB 0.065 31.809 31.823 -0.131 0.000 0.892 285 V HN 0.264 nan 8.190 nan 0.000 0.441 286 S N 1.979 117.603 115.700 -0.127 0.000 2.365 286 S HA -0.170 4.296 4.470 -0.008 0.000 0.225 286 S C 2.289 176.823 174.600 -0.109 0.000 1.039 286 S CA 2.017 60.142 58.200 -0.126 0.000 1.033 286 S CB -0.549 62.598 63.200 -0.087 0.000 0.887 286 S HN 0.950 nan 8.310 nan 0.000 0.447 287 A N 1.643 124.416 122.820 -0.077 0.000 1.902 287 A HA -0.130 4.185 4.320 -0.008 0.000 0.217 287 A C 2.104 179.643 177.584 -0.074 0.000 1.181 287 A CA 1.313 53.316 52.037 -0.058 0.000 0.623 287 A CB -0.452 18.528 19.000 -0.034 0.000 0.818 287 A HN 0.330 nan 8.150 nan 0.000 0.443 288 E N -0.387 119.753 120.200 -0.099 0.000 2.106 288 E HA -0.148 4.198 4.350 -0.008 0.000 0.192 288 E C 2.073 178.557 176.600 -0.194 0.000 0.984 288 E CA 1.151 57.483 56.400 -0.114 0.000 0.806 288 E CB -0.394 29.241 29.700 -0.109 0.000 0.750 288 E HN 0.732 nan 8.360 nan 0.000 0.458 289 M N 0.366 119.768 119.600 -0.329 0.000 2.080 289 M HA -0.183 4.292 4.480 -0.008 0.000 0.260 289 M C 2.096 178.283 176.300 -0.188 0.000 1.068 289 M CA 1.558 56.507 55.300 -0.585 0.000 1.109 289 M CB -0.303 31.938 32.600 -0.598 0.000 1.342 289 M HN 0.029 nan 8.290 nan 0.000 0.405 290 E N 0.120 120.265 120.200 -0.092 0.000 2.077 290 E HA -0.216 4.130 4.350 -0.008 0.000 0.193 290 E C 2.015 178.625 176.600 0.017 0.000 0.989 290 E CA 1.046 57.443 56.400 -0.005 0.000 0.800 290 E CB -0.175 29.518 29.700 -0.011 0.000 0.746 290 E HN 0.411 nan 8.360 nan 0.000 0.452 291 K N 0.990 121.386 120.400 -0.007 0.000 2.097 291 K HA -0.180 4.135 4.320 -0.008 0.000 0.206 291 K C 1.852 178.476 176.600 0.041 0.000 1.049 291 K CA 1.266 57.560 56.287 0.011 0.000 0.933 291 K CB 0.104 32.601 32.500 -0.005 0.000 0.717 291 K HN 0.088 nan 8.250 nan 0.000 0.442 292 Q N -0.889 118.951 119.800 0.067 0.000 2.444 292 Q HA 0.056 4.392 4.340 -0.008 0.000 0.206 292 Q C 0.451 176.567 176.000 0.192 0.000 0.948 292 Q CA 0.474 56.362 55.803 0.142 0.000 0.946 292 Q CB 0.632 29.500 28.738 0.217 0.000 1.027 292 Q HN 0.601 nan 8.270 nan 0.000 0.513 293 G N 0.750 109.650 108.800 0.167 0.000 2.160 293 G HA2 -0.317 3.638 3.960 -0.008 0.000 0.244 293 G HA3 -0.317 3.638 3.960 -0.008 0.000 0.244 293 G C -0.302 174.712 174.900 0.190 0.000 1.022 293 G CA -0.294 44.890 45.100 0.140 0.000 0.741 293 G HN 0.414 nan 8.290 nan 0.000 0.508 294 Y N 1.099 121.413 120.300 0.023 0.000 2.805 294 Y HA 0.277 4.823 4.550 -0.007 0.000 0.337 294 Y C 1.682 177.609 175.900 0.046 0.000 1.252 294 Y CA 1.087 59.209 58.100 0.035 0.000 1.515 294 Y CB 0.636 39.114 38.460 0.030 0.000 1.305 294 Y HN 0.426 nan 8.280 nan 0.000 0.600 295 T N 0.115 114.751 114.554 0.135 0.000 2.916 295 T HA 0.316 4.662 4.350 -0.008 0.000 0.292 295 T C -2.313 172.488 174.700 0.168 0.000 1.064 295 T CA -2.279 59.897 62.100 0.127 0.000 1.011 295 T CB 1.966 70.882 68.868 0.081 0.000 1.152 295 T HN 0.170 nan 8.240 nan 0.000 0.510 296 P HA -0.093 nan 4.420 nan 0.000 0.216 296 P C 1.720 179.266 177.300 0.409 0.000 1.153 296 P CA 0.461 63.745 63.100 0.306 0.000 0.858 296 P CB -0.030 31.833 31.700 0.272 0.000 0.789 297 L N 0.112 121.500 121.223 0.275 0.000 2.012 297 L HA -0.189 4.146 4.340 -0.008 0.000 0.210 297 L C 2.267 179.280 176.870 0.238 0.000 1.073 297 L CA 2.101 57.103 54.840 0.270 0.000 0.748 297 L CB -1.255 40.875 42.059 0.118 0.000 0.891 297 L HN -0.220 nan 8.230 nan 0.000 0.431 298 K N -0.617 119.846 120.400 0.104 0.000 2.063 298 K HA -0.177 4.138 4.320 -0.008 0.000 0.208 298 K C 1.980 178.604 176.600 0.040 0.000 1.048 298 K CA 2.112 58.389 56.287 -0.016 0.000 0.928 298 K CB -0.319 32.056 32.500 -0.208 0.000 0.713 298 K HN 0.388 nan 8.250 nan 0.000 0.442 299 M N -0.947 118.727 119.600 0.123 0.000 2.086 299 M HA -0.101 4.375 4.480 -0.008 0.000 0.261 299 M C 1.878 178.236 176.300 0.096 0.000 1.067 299 M CA 1.699 57.076 55.300 0.128 0.000 1.116 299 M CB -0.382 32.290 32.600 0.120 0.000 1.348 299 M HN 0.052 nan 8.290 nan 0.000 0.407 300 F N 0.616 120.702 119.950 0.227 0.000 2.171 300 F HA -0.213 4.308 4.527 -0.009 0.000 0.300 300 F C 2.611 178.652 175.800 0.403 0.000 1.090 300 F CA 1.511 59.697 58.000 0.311 0.000 1.293 300 F CB -0.492 38.790 39.000 0.470 0.000 1.013 300 F HN 0.183 nan 8.300 nan 0.000 0.486 301 Q N -0.535 119.594 119.800 0.549 0.000 2.124 301 Q HA -0.214 4.121 4.340 -0.008 0.000 0.202 301 Q C 2.202 178.356 176.000 0.256 0.000 0.977 301 Q CA 1.544 57.567 55.803 0.367 0.000 0.850 301 Q CB -0.250 28.547 28.738 0.099 0.000 0.901 301 Q HN 0.475 nan 8.270 nan 0.000 0.429 302 M N -0.504 119.215 119.600 0.198 0.000 2.200 302 M HA -0.069 4.406 4.480 -0.008 0.000 0.265 302 M C 2.186 178.642 176.300 0.260 0.000 1.066 302 M CA 1.374 56.802 55.300 0.213 0.000 1.127 302 M CB -0.326 32.398 32.600 0.206 0.000 1.379 302 M HN 0.336 nan 8.290 nan 0.000 0.420 303 G N 0.181 109.025 108.800 0.073 0.000 2.421 303 G HA2 -0.278 3.677 3.960 -0.008 0.000 0.216 303 G HA3 -0.278 3.677 3.960 -0.008 0.000 0.216 303 G C 1.090 176.122 174.900 0.221 0.000 1.171 303 G CA 1.397 46.402 45.100 -0.159 0.000 0.775 303 G HN 0.381 nan 8.290 nan 0.000 0.543 304 D N 0.701 121.251 120.400 0.250 0.000 2.116 304 D HA -0.160 4.475 4.640 -0.008 0.000 0.193 304 D C 2.057 178.530 176.300 0.289 0.000 0.998 304 D CA 1.475 55.639 54.000 0.272 0.000 0.836 304 D CB -0.420 40.588 40.800 0.348 0.000 0.951 304 D HN 0.245 nan 8.370 nan 0.000 0.449 305 D N -1.103 119.467 120.400 0.282 0.000 2.133 305 D HA -0.214 4.421 4.640 -0.008 0.000 0.195 305 D C 2.062 178.538 176.300 0.293 0.000 0.997 305 D CA 0.913 55.072 54.000 0.265 0.000 0.840 305 D CB -0.673 40.291 40.800 0.273 0.000 0.947 305 D HN 0.332 nan 8.370 nan 0.000 0.452 306 F N -0.698 119.404 119.950 0.254 0.000 2.075 306 F HA -0.144 4.377 4.527 -0.009 0.000 0.297 306 F C 2.039 177.764 175.800 -0.124 0.000 1.113 306 F CA 1.291 59.380 58.000 0.148 0.000 1.218 306 F CB -0.256 38.818 39.000 0.123 0.000 0.984 306 F HN -0.068 nan 8.300 nan 0.000 0.472 307 F N 0.375 120.459 119.950 0.223 0.000 2.102 307 F HA -0.251 4.270 4.527 -0.010 0.000 0.298 307 F C 2.876 178.654 175.800 -0.036 0.000 1.105 307 F CA 1.975 59.995 58.000 0.033 0.000 1.239 307 F CB -1.388 37.576 39.000 -0.060 0.000 0.991 307 F HN 0.022 nan 8.300 nan 0.000 0.474 308 T N -2.630 112.020 114.554 0.159 0.000 2.833 308 T HA -0.189 4.157 4.350 -0.008 0.000 0.269 308 T C 2.118 176.780 174.700 -0.064 0.000 1.054 308 T CA 1.226 63.353 62.100 0.046 0.000 1.135 308 T CB -0.980 67.923 68.868 0.058 0.000 0.869 308 T HN 0.328 nan 8.240 nan 0.000 0.466 309 S N 1.522 117.114 115.700 -0.180 0.000 2.442 309 S HA 0.027 4.492 4.470 -0.008 0.000 0.236 309 S C 1.871 176.254 174.600 -0.362 0.000 1.007 309 S CA 0.735 58.683 58.200 -0.421 0.000 0.965 309 S CB -0.791 61.752 63.200 -1.095 0.000 0.773 309 S HN 0.571 nan 8.310 nan 0.000 0.504 310 M N 1.111 120.569 119.600 -0.237 0.000 2.494 310 M HA 0.287 4.762 4.480 -0.008 0.000 0.232 310 M C 0.611 176.870 176.300 -0.069 0.000 1.137 310 M CA 0.061 55.276 55.300 -0.141 0.000 1.012 310 M CB -0.345 32.204 32.600 -0.085 0.000 1.567 310 M HN 0.360 nan 8.290 nan 0.000 0.486 311 N N 0.718 119.375 118.700 -0.071 0.000 2.818 311 N HA -0.147 4.589 4.740 -0.008 0.000 0.250 311 N C -0.951 174.541 175.510 -0.030 0.000 1.108 311 N CA 0.571 53.590 53.050 -0.052 0.000 0.745 311 N CB -1.237 37.214 38.487 -0.060 0.000 1.104 311 N HN 0.375 nan 8.380 nan 0.000 0.557 312 L N -0.720 120.509 121.223 0.010 0.000 2.544 312 L HA 0.464 4.799 4.340 -0.008 0.000 0.256 312 L C 0.957 177.837 176.870 0.016 0.000 1.097 312 L CA -0.710 54.152 54.840 0.037 0.000 0.812 312 L CB 0.528 42.660 42.059 0.122 0.000 1.440 312 L HN 0.003 nan 8.230 nan 0.000 0.496 313 T N 0.783 115.328 114.554 -0.015 0.000 2.832 313 T HA 0.110 4.455 4.350 -0.008 0.000 0.296 313 T C -0.028 174.637 174.700 -0.059 0.000 0.968 313 T CA -0.388 61.685 62.100 -0.043 0.000 1.107 313 T CB 0.686 69.520 68.868 -0.057 0.000 0.916 313 T HN 0.364 nan 8.240 nan 0.000 0.517 314 K N 3.811 124.198 120.400 -0.021 0.000 2.382 314 K HA 0.181 4.496 4.320 -0.008 0.000 0.275 314 K C -0.237 176.335 176.600 -0.047 0.000 1.009 314 K CA -0.531 55.759 56.287 0.004 0.000 0.970 314 K CB 0.330 32.861 32.500 0.052 0.000 0.934 314 K HN 0.518 nan 8.250 nan 0.000 0.479 315 L N 6.273 127.448 121.223 -0.081 0.000 2.499 315 L HA 0.117 4.453 4.340 -0.008 0.000 0.273 315 L C -1.620 175.227 176.870 -0.037 0.000 1.195 315 L CA -1.538 53.154 54.840 -0.248 0.000 0.882 315 L CB 0.254 41.931 42.059 -0.636 0.000 1.133 315 L HN 0.708 nan 8.230 nan 0.000 0.483 316 P HA 0.073 nan 4.420 nan 0.000 0.276 316 P C -0.190 177.193 177.300 0.138 0.000 1.261 316 P CA -0.553 62.583 63.100 0.059 0.000 0.800 316 P CB 0.934 32.652 31.700 0.029 0.000 1.066 317 Q N 0.387 120.290 119.800 0.172 0.000 2.124 317 Q HA -0.163 4.172 4.340 -0.008 0.000 0.202 317 Q C 1.335 177.422 176.000 0.144 0.000 0.977 317 Q CA 1.910 57.849 55.803 0.228 0.000 0.850 317 Q CB -1.074 27.749 28.738 0.142 0.000 0.901 317 Q HN 0.344 nan 8.270 nan 0.000 0.429 318 D N -0.825 119.604 120.400 0.049 0.000 2.133 318 D HA -0.180 4.455 4.640 -0.008 0.000 0.195 318 D C 1.425 177.678 176.300 -0.078 0.000 0.997 318 D CA 0.957 54.932 54.000 -0.042 0.000 0.840 318 D CB -0.357 40.394 40.800 -0.083 0.000 0.947 318 D HN 0.307 nan 8.370 nan 0.000 0.452 319 F N -0.258 119.568 119.950 -0.206 0.000 2.069 319 F HA -0.197 4.326 4.527 -0.006 0.000 0.298 319 F C 1.954 177.566 175.800 -0.312 0.000 1.113 319 F CA 1.665 59.463 58.000 -0.337 0.000 1.214 319 F CB -0.560 38.124 39.000 -0.526 0.000 0.978 319 F HN 0.017 nan 8.300 nan 0.000 0.474 320 W N 0.720 122.066 121.300 0.076 0.000 2.388 320 W HA -0.153 4.500 4.660 -0.011 0.000 0.294 320 W C 2.233 178.675 176.519 -0.129 0.000 1.212 320 W CA 0.752 58.077 57.345 -0.034 0.000 1.271 320 W CB -0.543 28.962 29.460 0.075 0.000 1.126 320 W HN -0.027 nan 8.180 nan 0.000 0.535 321 D N -0.040 120.415 120.400 0.093 0.000 2.178 321 D HA -0.100 4.536 4.640 -0.008 0.000 0.202 321 D C 1.649 177.893 176.300 -0.094 0.000 0.974 321 D CA 1.372 55.372 54.000 0.001 0.000 0.841 321 D CB -0.210 40.581 40.800 -0.015 0.000 0.953 321 D HN 0.246 nan 8.370 nan 0.000 0.478 322 K N -0.333 119.945 120.400 -0.203 0.000 2.399 322 K HA 0.189 4.504 4.320 -0.008 0.000 0.196 322 K C 0.604 177.034 176.600 -0.284 0.000 1.103 322 K CA -0.097 56.022 56.287 -0.281 0.000 0.986 322 K CB 0.917 33.147 32.500 -0.450 0.000 0.952 322 K HN -0.143 nan 8.250 nan 0.000 0.541 323 S N 1.267 116.728 115.700 -0.399 0.000 2.573 323 S HA 0.180 4.646 4.470 -0.008 0.000 0.277 323 S C 0.203 174.736 174.600 -0.112 0.000 1.346 323 S CA -0.041 57.941 58.200 -0.364 0.000 1.034 323 S CB 0.535 63.181 63.200 -0.923 0.000 0.879 323 S HN 0.116 nan 8.310 nan 0.000 0.528 324 I N 2.863 123.452 120.570 0.032 0.000 2.354 324 I HA 0.286 4.452 4.170 -0.008 0.000 0.286 324 I C 0.689 176.763 176.117 -0.072 0.000 1.007 324 I CA -0.127 61.164 61.300 -0.016 0.000 1.167 324 I CB 0.892 38.876 38.000 -0.026 0.000 1.320 324 I HN 0.656 nan 8.210 nan 0.000 0.458 325 I N 1.277 121.787 120.570 -0.100 0.000 4.154 325 I HA 0.477 4.642 4.170 -0.008 0.000 0.334 325 I C 0.101 176.258 176.117 0.065 0.000 1.371 325 I CA -0.027 61.224 61.300 -0.082 0.000 1.110 325 I CB 0.294 38.110 38.000 -0.306 0.000 1.085 325 I HN 0.417 nan 8.210 nan 0.000 0.398 326 E N 1.971 122.194 120.200 0.038 0.000 2.340 326 E HA 0.365 4.711 4.350 -0.008 0.000 0.273 326 E C -1.128 175.488 176.600 0.026 0.000 0.891 326 E CA -1.003 55.429 56.400 0.052 0.000 0.757 326 E CB 2.658 32.387 29.700 0.048 0.000 1.231 326 E HN 0.092 nan 8.360 nan 0.000 0.439 327 K N 2.936 123.353 120.400 0.029 0.000 2.447 327 K HA 0.131 4.446 4.320 -0.008 0.000 0.281 327 K C -2.278 174.323 176.600 0.002 0.000 1.031 327 K CA -1.188 55.106 56.287 0.011 0.000 1.019 327 K CB 0.227 32.737 32.500 0.016 0.000 0.918 327 K HN 0.115 nan 8.250 nan 0.000 0.476 328 P HA -0.048 nan 4.420 nan 0.000 0.265 328 P C -0.058 177.239 177.300 -0.006 0.000 1.187 328 P CA 0.059 63.150 63.100 -0.015 0.000 0.766 328 P CB 0.724 32.406 31.700 -0.032 0.000 0.820 329 T N -2.718 111.835 114.554 -0.002 0.000 3.069 329 T HA 0.097 4.442 4.350 -0.008 0.000 0.252 329 T C 0.340 175.041 174.700 0.001 0.000 1.053 329 T CA -0.389 61.712 62.100 0.003 0.000 0.964 329 T CB -0.580 68.292 68.868 0.007 0.000 1.005 329 T HN 0.365 nan 8.240 nan 0.000 0.532 330 D N 1.347 121.745 120.400 -0.003 0.000 2.414 330 D HA 0.385 5.020 4.640 -0.008 0.000 0.259 330 D C 1.505 177.803 176.300 -0.003 0.000 1.269 330 D CA -0.456 53.542 54.000 -0.003 0.000 1.028 330 D CB -0.123 40.673 40.800 -0.006 0.000 1.093 330 D HN 0.059 nan 8.370 nan 0.000 0.545 331 G N -1.557 107.242 108.800 -0.001 0.000 3.026 331 G HA2 -0.073 3.882 3.960 -0.008 0.000 0.208 331 G HA3 -0.073 3.882 3.960 -0.008 0.000 0.208 331 G C 0.609 175.507 174.900 -0.003 0.000 1.169 331 G CA -0.309 44.792 45.100 0.001 0.000 0.788 331 G HN 0.560 nan 8.290 nan 0.000 0.533 332 R N 0.491 120.984 120.500 -0.012 0.000 2.641 332 R HA 0.172 4.508 4.340 -0.008 0.000 0.269 332 R C -1.382 174.902 176.300 -0.026 0.000 1.074 332 R CA -0.297 55.791 56.100 -0.021 0.000 1.133 332 R CB 0.664 30.945 30.300 -0.033 0.000 1.029 332 R HN -0.115 nan 8.270 nan 0.000 0.488 333 D N 2.774 123.155 120.400 -0.032 0.000 2.256 333 D HA 0.390 5.026 4.640 -0.008 0.000 0.250 333 D C 0.098 176.350 176.300 -0.081 0.000 1.093 333 D CA -0.186 53.790 54.000 -0.039 0.000 0.882 333 D CB 1.512 42.296 40.800 -0.028 0.000 1.185 333 D HN 0.527 nan 8.370 nan 0.000 0.437 334 L N -2.104 119.075 121.223 -0.073 0.000 2.720 334 L HA 0.560 4.895 4.340 -0.008 0.000 0.261 334 L C -1.302 175.539 176.870 -0.047 0.000 1.046 334 L CA -1.124 53.649 54.840 -0.112 0.000 0.886 334 L CB 1.522 43.508 42.059 -0.123 0.000 1.493 334 L HN -0.020 nan 8.230 nan 0.000 0.407 335 V N 0.827 120.713 119.914 -0.047 0.000 2.389 335 V HA 0.107 4.222 4.120 -0.008 0.000 0.264 335 V C 0.694 176.813 176.094 0.041 0.000 1.049 335 V CA -0.046 62.289 62.300 0.059 0.000 0.932 335 V CB 0.693 32.584 31.823 0.112 0.000 1.011 335 V HN 0.981 nan 8.190 nan 0.000 0.475 336 c N 3.457 122.098 118.600 0.068 0.000 2.696 336 c HA 0.133 4.699 4.570 -0.008 0.000 0.264 336 c C 1.289 175.390 174.090 0.019 0.000 1.288 336 c CA -0.173 56.182 56.329 0.043 0.000 1.717 336 c CB -1.395 41.143 42.510 0.046 0.000 1.893 336 c HN 0.943 nan 8.230 nan 0.000 0.577 337 H N 1.061 120.052 119.070 -0.132 0.000 2.975 337 H HA 0.403 4.954 4.556 -0.008 0.000 0.303 337 H C 0.652 175.876 175.328 -0.173 0.000 1.023 337 H CA 0.490 56.348 56.048 -0.318 0.000 1.473 337 H CB 0.521 29.636 29.762 -1.078 0.000 1.498 337 H HN 0.461 nan 8.280 nan 0.000 0.549 338 A N 4.159 126.834 122.820 -0.241 0.000 2.466 338 A HA 0.420 4.736 4.320 -0.008 0.000 0.238 338 A C -0.214 177.476 177.584 0.177 0.000 1.074 338 A CA 0.353 52.408 52.037 0.031 0.000 0.774 338 A CB 0.034 19.066 19.000 0.053 0.000 1.015 338 A HN 0.875 nan 8.150 nan 0.000 0.498 339 S N -0.466 115.416 115.700 0.302 0.000 2.537 339 S HA 0.745 5.211 4.470 -0.008 0.000 0.271 339 S C -0.662 174.194 174.600 0.426 0.000 1.148 339 S CA -0.162 58.212 58.200 0.290 0.000 0.868 339 S CB 1.323 64.653 63.200 0.217 0.000 1.115 339 S HN 2.066 nan 8.310 nan 0.000 0.461 340 A N 1.175 124.144 122.820 0.248 0.000 2.337 340 A HA 0.821 5.137 4.320 -0.008 0.000 0.329 340 A C -1.631 176.132 177.584 0.300 0.000 1.146 340 A CA -0.747 51.556 52.037 0.444 0.000 0.800 340 A CB 0.480 19.710 19.000 0.384 0.000 1.220 340 A HN 0.773 nan 8.150 nan 0.000 0.472 341 W N 0.798 122.325 121.300 0.379 0.000 2.739 341 W HA 0.498 5.153 4.660 -0.009 0.000 0.331 341 W C -0.803 175.454 176.519 -0.437 0.000 1.049 341 W CA -0.246 57.068 57.345 -0.052 0.000 1.234 341 W CB 1.860 31.319 29.460 -0.002 0.000 1.404 341 W HN 0.649 nan 8.180 nan 0.000 0.477 342 D N 1.867 121.690 120.400 -0.962 0.000 2.308 342 D HA 0.317 4.952 4.640 -0.008 0.000 0.242 342 D C -0.319 175.355 176.300 -1.044 0.000 1.059 342 D CA -0.560 52.704 54.000 -1.226 0.000 0.830 342 D CB 0.987 40.607 40.800 -1.966 0.000 1.161 342 D HN 0.238 nan 8.370 nan 0.000 0.494 343 F N 2.322 121.988 119.950 -0.473 0.000 2.695 343 F HA 0.158 4.679 4.527 -0.009 0.000 0.303 343 F C 0.430 176.206 175.800 -0.041 0.000 1.091 343 F CA -0.357 57.522 58.000 -0.202 0.000 1.300 343 F CB -0.182 38.747 39.000 -0.119 0.000 1.071 343 F HN 0.431 nan 8.300 nan 0.000 0.578 344 Y N -1.428 118.939 120.300 0.111 0.000 4.490 344 Y HA -0.296 4.249 4.550 -0.009 0.000 0.233 344 Y C 0.710 176.684 175.900 0.124 0.000 1.101 344 Y CA -0.257 57.923 58.100 0.134 0.000 2.010 344 Y CB -2.213 36.373 38.460 0.209 0.000 1.622 344 Y HN 0.055 nan 8.280 nan 0.000 0.675 345 L N -1.418 119.920 121.223 0.191 0.000 2.694 345 L HA 0.558 4.893 4.340 -0.008 0.000 0.198 345 L C 0.763 177.701 176.870 0.114 0.000 1.903 345 L CA -0.526 54.394 54.840 0.133 0.000 2.945 345 L CB 0.343 42.454 42.059 0.088 0.000 2.882 345 L HN -0.100 nan 8.230 nan 0.000 0.702 346 T N -0.081 114.520 114.554 0.079 0.000 2.786 346 T HA 0.262 4.607 4.350 -0.008 0.000 0.283 346 T C -0.783 173.948 174.700 0.052 0.000 0.992 346 T CA -0.356 61.789 62.100 0.074 0.000 0.954 346 T CB 1.300 70.207 68.868 0.065 0.000 0.934 346 T HN 0.523 nan 8.240 nan 0.000 0.440 347 D N 0.850 121.285 120.400 0.058 0.000 3.046 347 D HA -0.134 4.502 4.640 -0.008 0.000 0.210 347 D C -0.031 176.285 176.300 0.025 0.000 1.124 347 D CA 1.146 55.171 54.000 0.041 0.000 0.986 347 D CB -0.566 40.252 40.800 0.031 0.000 1.118 347 D HN 0.595 nan 8.370 nan 0.000 0.416 348 D N 0.724 121.135 120.400 0.020 0.000 2.483 348 D HA 0.302 4.937 4.640 -0.008 0.000 0.220 348 D C -0.227 176.125 176.300 0.085 0.000 1.173 348 D CA -0.255 53.724 54.000 -0.036 0.000 0.964 348 D CB 0.181 40.920 40.800 -0.103 0.000 1.046 348 D HN 0.122 nan 8.370 nan 0.000 0.517 349 V N 0.988 120.967 119.914 0.108 0.000 2.823 349 V HA 0.766 4.882 4.120 -0.008 0.000 0.312 349 V C -0.361 175.896 176.094 0.271 0.000 1.072 349 V CA -1.008 61.451 62.300 0.265 0.000 0.937 349 V CB 2.272 34.279 31.823 0.307 0.000 1.013 349 V HN 0.271 nan 8.190 nan 0.000 0.430 350 R N 2.230 122.951 120.500 0.369 0.000 2.707 350 R HA 0.780 5.115 4.340 -0.008 0.000 0.272 350 R C -1.737 174.800 176.300 0.395 0.000 1.011 350 R CA -0.707 55.461 56.100 0.113 0.000 0.893 350 R CB 2.587 32.715 30.300 -0.287 0.000 1.233 350 R HN 0.856 nan 8.270 nan 0.000 0.464 351 I N 1.485 122.161 120.570 0.176 0.000 2.569 351 I HA 0.362 4.527 4.170 -0.008 0.000 0.296 351 I C -0.703 175.627 176.117 0.356 0.000 1.028 351 I CA -0.710 60.834 61.300 0.406 0.000 1.082 351 I CB 2.243 40.493 38.000 0.417 0.000 1.264 351 I HN 0.330 nan 8.210 nan 0.000 0.429 352 K N 6.146 126.821 120.400 0.459 0.000 2.449 352 K HA 0.437 4.752 4.320 -0.008 0.000 0.257 352 K C -1.164 175.563 176.600 0.212 0.000 0.989 352 K CA -0.458 55.962 56.287 0.221 0.000 0.916 352 K CB 1.126 33.632 32.500 0.009 0.000 1.136 352 K HN 0.589 nan 8.250 nan 0.000 0.439 353 Q N 3.950 123.850 119.800 0.167 0.000 2.305 353 Q HA 0.297 4.632 4.340 -0.008 0.000 0.271 353 Q C -1.313 174.765 176.000 0.130 0.000 1.046 353 Q CA -0.840 55.076 55.803 0.188 0.000 0.798 353 Q CB 1.639 30.585 28.738 0.346 0.000 1.286 353 Q HN 0.764 nan 8.270 nan 0.000 0.435 354 c N 3.903 122.556 118.600 0.088 0.000 2.615 354 c HA 0.239 4.804 4.570 -0.008 0.000 0.503 354 c C 0.298 174.442 174.090 0.090 0.000 1.039 354 c CA -0.390 55.980 56.329 0.068 0.000 1.226 354 c CB -1.904 40.629 42.510 0.038 0.000 1.447 354 c HN 0.606 nan 8.230 nan 0.000 0.572 355 T N 2.793 117.432 114.554 0.141 0.000 2.916 355 T HA 0.212 4.557 4.350 -0.008 0.000 0.303 355 T C 0.409 175.176 174.700 0.113 0.000 1.025 355 T CA 0.326 62.526 62.100 0.166 0.000 1.142 355 T CB 0.608 69.654 68.868 0.297 0.000 0.947 355 T HN 0.604 nan 8.240 nan 0.000 0.544 356 R N 1.272 121.822 120.500 0.082 0.000 2.778 356 R HA 0.538 4.873 4.340 -0.008 0.000 0.277 356 R C -0.821 175.511 176.300 0.052 0.000 0.977 356 R CA -0.945 55.189 56.100 0.057 0.000 0.950 356 R CB 1.642 31.959 30.300 0.029 0.000 1.165 356 R HN 0.364 nan 8.270 nan 0.000 0.474 357 V N 2.603 122.546 119.914 0.048 0.000 2.223 357 V HA 0.162 4.277 4.120 -0.008 0.000 0.249 357 V C 0.095 176.177 176.094 -0.020 0.000 1.233 357 V CA -0.018 62.308 62.300 0.043 0.000 1.131 357 V CB -0.392 31.476 31.823 0.074 0.000 1.298 357 V HN 0.929 nan 8.190 nan 0.000 0.498 358 T N -0.459 114.064 114.554 -0.053 0.000 2.883 358 T HA 0.347 4.692 4.350 -0.008 0.000 0.296 358 T C 0.607 175.192 174.700 -0.192 0.000 1.117 358 T CA -0.515 61.522 62.100 -0.105 0.000 1.006 358 T CB 2.144 70.964 68.868 -0.080 0.000 1.191 358 T HN 0.262 nan 8.240 nan 0.000 0.508 359 Q N 0.187 119.835 119.800 -0.253 0.000 2.061 359 Q HA -0.207 4.129 4.340 -0.008 0.000 0.204 359 Q C 1.575 177.129 176.000 -0.743 0.000 0.984 359 Q CA 2.502 58.028 55.803 -0.463 0.000 0.846 359 Q CB -0.394 28.130 28.738 -0.356 0.000 0.902 359 Q HN 0.844 nan 8.270 nan 0.000 0.421 360 D N -0.494 119.659 120.400 -0.413 0.000 2.123 360 D HA -0.198 4.438 4.640 -0.008 0.000 0.196 360 D C 1.928 178.113 176.300 -0.191 0.000 0.992 360 D CA 1.254 55.102 54.000 -0.254 0.000 0.833 360 D CB 0.028 40.796 40.800 -0.053 0.000 0.954 360 D HN 0.262 nan 8.370 nan 0.000 0.455 361 Q N -0.517 119.191 119.800 -0.153 0.000 2.167 361 Q HA -0.089 4.246 4.340 -0.008 0.000 0.202 361 Q C 2.215 178.168 176.000 -0.078 0.000 0.970 361 Q CA 0.387 56.146 55.803 -0.073 0.000 0.855 361 Q CB -0.254 28.465 28.738 -0.031 0.000 0.911 361 Q HN 0.351 nan 8.270 nan 0.000 0.438 362 L N 0.104 121.225 121.223 -0.171 0.000 2.083 362 L HA -0.138 4.197 4.340 -0.008 0.000 0.209 362 L C 1.855 178.787 176.870 0.104 0.000 1.083 362 L CA 1.551 56.349 54.840 -0.071 0.000 0.752 362 L CB -0.547 41.425 42.059 -0.145 0.000 0.899 362 L HN 0.010 nan 8.230 nan 0.000 0.433 363 F N -0.543 119.409 119.950 0.003 0.000 2.146 363 F HA -0.126 4.396 4.527 -0.008 0.000 0.298 363 F C 2.539 178.353 175.800 0.023 0.000 1.096 363 F CA 1.410 59.383 58.000 -0.045 0.000 1.275 363 F CB -1.970 36.966 39.000 -0.107 0.000 1.008 363 F HN 0.021 nan 8.300 nan 0.000 0.480 364 T N 0.180 114.839 114.554 0.176 0.000 2.720 364 T HA -0.147 4.199 4.350 -0.008 0.000 0.268 364 T C 2.360 177.133 174.700 0.123 0.000 1.037 364 T CA 1.421 63.593 62.100 0.121 0.000 1.144 364 T CB -0.686 68.212 68.868 0.050 0.000 0.864 364 T HN 0.056 nan 8.240 nan 0.000 0.444 365 V N 1.009 120.928 119.914 0.008 0.000 2.332 365 V HA -0.224 3.891 4.120 -0.008 0.000 0.248 365 V C 2.257 178.278 176.094 -0.122 0.000 1.055 365 V CA 1.896 64.053 62.300 -0.239 0.000 1.038 365 V CB -0.660 30.821 31.823 -0.571 0.000 0.651 365 V HN 0.564 nan 8.190 nan 0.000 0.450 366 H N -1.432 117.620 119.070 -0.031 0.000 2.423 366 H HA -0.129 4.422 4.556 -0.008 0.000 0.297 366 H C 2.222 177.557 175.328 0.012 0.000 1.075 366 H CA 1.783 57.821 56.048 -0.016 0.000 1.342 366 H CB -0.328 29.348 29.762 -0.144 0.000 1.395 366 H HN 0.644 nan 8.280 nan 0.000 0.530 367 H N 0.795 119.900 119.070 0.059 0.000 2.290 367 H HA -0.112 4.440 4.556 -0.007 0.000 0.298 367 H C 1.908 177.218 175.328 -0.030 0.000 1.087 367 H CA 1.756 57.794 56.048 -0.017 0.000 1.291 367 H CB 0.285 30.058 29.762 0.018 0.000 1.369 367 H HN 0.186 nan 8.280 nan 0.000 0.492 368 E N 0.501 120.816 120.200 0.191 0.000 2.077 368 E HA -0.141 4.204 4.350 -0.008 0.000 0.193 368 E C 2.498 179.154 176.600 0.094 0.000 0.989 368 E CA 1.008 57.559 56.400 0.251 0.000 0.800 368 E CB -0.284 29.637 29.700 0.368 0.000 0.746 368 E HN 0.561 nan 8.360 nan 0.000 0.452 369 L N 0.073 121.307 121.223 0.019 0.000 2.291 369 L HA -0.019 4.316 4.340 -0.008 0.000 0.214 369 L C 2.359 178.987 176.870 -0.403 0.000 1.120 369 L CA 0.755 55.492 54.840 -0.170 0.000 0.799 369 L CB -0.512 41.485 42.059 -0.102 0.000 0.925 369 L HN 0.157 nan 8.230 nan 0.000 0.446 370 G N -0.958 107.739 108.800 -0.172 0.000 2.418 370 G HA2 -0.245 3.710 3.960 -0.008 0.000 0.217 370 G HA3 -0.245 3.710 3.960 -0.008 0.000 0.217 370 G C 1.363 176.041 174.900 -0.371 0.000 1.158 370 G CA 0.404 45.369 45.100 -0.224 0.000 0.771 370 G HN 0.333 nan 8.290 nan 0.000 0.545 371 H N 0.566 119.464 119.070 -0.286 0.000 2.321 371 H HA -0.025 4.526 4.556 -0.008 0.000 0.300 371 H C 2.779 177.545 175.328 -0.937 0.000 1.087 371 H CA 1.072 56.883 56.048 -0.395 0.000 1.319 371 H CB -0.235 29.353 29.762 -0.290 0.000 1.379 371 H HN 0.191 nan 8.280 nan 0.000 0.501 372 I N 0.931 121.189 120.570 -0.519 0.000 2.226 372 I HA -0.242 3.923 4.170 -0.008 0.000 0.245 372 I C 2.580 178.436 176.117 -0.434 0.000 1.100 372 I CA 1.151 62.201 61.300 -0.416 0.000 1.374 372 I CB -0.952 36.913 38.000 -0.224 0.000 1.057 372 I HN 0.215 nan 8.210 nan 0.000 0.413 373 Q N 0.531 119.984 119.800 -0.577 0.000 2.096 373 Q HA -0.239 4.096 4.340 -0.008 0.000 0.204 373 Q C 2.311 178.103 176.000 -0.347 0.000 0.982 373 Q CA 1.784 57.260 55.803 -0.546 0.000 0.850 373 Q CB -0.665 27.574 28.738 -0.832 0.000 0.901 373 Q HN 0.561 nan 8.270 nan 0.000 0.422 374 Y N -0.927 119.047 120.300 -0.543 0.000 2.128 374 Y HA -0.294 4.250 4.550 -0.009 0.000 0.284 374 Y C 1.582 176.945 175.900 -0.894 0.000 1.154 374 Y CA 0.850 58.568 58.100 -0.636 0.000 1.149 374 Y CB -0.036 37.923 38.460 -0.834 0.000 0.976 374 Y HN 0.168 nan 8.280 nan 0.000 0.505 375 F N 0.005 119.681 119.950 -0.457 0.000 2.091 375 F HA -0.307 4.214 4.527 -0.010 0.000 0.299 375 F C 2.156 177.756 175.800 -0.333 0.000 1.103 375 F CA 1.258 58.965 58.000 -0.488 0.000 1.228 375 F CB -1.376 37.544 39.000 -0.134 0.000 0.984 375 F HN 0.046 nan 8.300 nan 0.000 0.477 376 L N -0.815 120.396 121.223 -0.020 0.000 2.093 376 L HA -0.168 4.167 4.340 -0.008 0.000 0.208 376 L C 2.547 179.449 176.870 0.052 0.000 1.085 376 L CA 0.897 55.745 54.840 0.014 0.000 0.755 376 L CB -0.702 41.331 42.059 -0.044 0.000 0.904 376 L HN 0.114 nan 8.230 nan 0.000 0.435 377 Q N -0.085 119.715 119.800 0.001 0.000 2.167 377 Q HA -0.167 4.169 4.340 -0.008 0.000 0.202 377 Q C 1.608 177.804 176.000 0.326 0.000 0.970 377 Q CA 1.391 57.273 55.803 0.132 0.000 0.855 377 Q CB -0.031 28.756 28.738 0.082 0.000 0.911 377 Q HN 0.730 nan 8.270 nan 0.000 0.438 378 Y N -0.576 119.903 120.300 0.299 0.000 2.507 378 Y HA 0.271 4.816 4.550 -0.009 0.000 0.254 378 Y C 1.555 177.521 175.900 0.110 0.000 1.171 378 Y CA -0.363 57.853 58.100 0.193 0.000 1.238 378 Y CB -0.880 37.664 38.460 0.141 0.000 1.148 378 Y HN 0.072 nan 8.280 nan 0.000 0.525 379 Q N 0.813 120.881 119.800 0.447 0.000 2.439 379 Q HA -0.189 4.147 4.340 -0.008 0.000 0.211 379 Q C 1.247 177.409 176.000 0.270 0.000 0.978 379 Q CA 1.733 57.743 55.803 0.345 0.000 0.897 379 Q CB -0.862 28.025 28.738 0.249 0.000 0.956 379 Q HN 0.740 nan 8.270 nan 0.000 0.483 380 H N -0.797 118.390 119.070 0.196 0.000 2.551 380 H HA 0.188 4.745 4.556 0.002 0.000 0.266 380 H C 0.113 175.525 175.328 0.140 0.000 0.964 380 H CA -0.141 55.995 56.048 0.146 0.000 1.180 380 H CB 0.064 29.903 29.762 0.128 0.000 1.408 380 H HN 0.152 nan 8.280 nan 0.000 0.563 381 Q N 2.605 122.184 119.800 -0.368 0.000 2.394 381 Q HA 0.216 4.551 4.340 -0.008 0.000 0.248 381 Q C -2.085 173.880 176.000 -0.057 0.000 0.992 381 Q CA -1.821 53.852 55.803 -0.217 0.000 0.888 381 Q CB 0.684 29.322 28.738 -0.166 0.000 1.257 381 Q HN 0.318 nan 8.270 nan 0.000 0.462 382 P HA -0.092 nan 4.420 nan 0.000 0.267 382 P C 0.520 177.746 177.300 -0.123 0.000 1.200 382 P CA 0.079 63.107 63.100 -0.119 0.000 0.772 382 P CB 0.313 31.846 31.700 -0.278 0.000 0.855 383 F N 3.933 123.760 119.950 -0.206 0.000 2.085 383 F HA -0.297 4.224 4.527 -0.009 0.000 0.299 383 F C 1.885 177.535 175.800 -0.250 0.000 1.096 383 F CA 2.570 60.446 58.000 -0.206 0.000 1.227 383 F CB -0.848 38.007 39.000 -0.242 0.000 0.983 383 F HN 0.136 nan 8.300 nan 0.000 0.482 384 V N -2.423 117.300 119.914 -0.319 0.000 2.913 384 V HA -0.237 3.878 4.120 -0.008 0.000 0.260 384 V C 1.641 177.558 176.094 -0.294 0.000 1.098 384 V CA 1.438 63.502 62.300 -0.393 0.000 1.121 384 V CB -1.521 30.095 31.823 -0.344 0.000 0.714 384 V HN 0.408 nan 8.190 nan 0.000 0.487 385 Y N 0.784 120.880 120.300 -0.339 0.000 2.457 385 Y HA 0.419 4.964 4.550 -0.010 0.000 0.263 385 Y C 1.679 177.246 175.900 -0.556 0.000 1.164 385 Y CA -0.856 57.032 58.100 -0.353 0.000 1.274 385 Y CB -0.336 37.975 38.460 -0.249 0.000 1.097 385 Y HN 0.283 nan 8.280 nan 0.000 0.523 386 R N 0.541 120.741 120.500 -0.499 0.000 4.164 386 R HA 0.245 4.580 4.340 -0.008 0.000 0.195 386 R C 0.087 175.819 176.300 -0.946 0.000 1.712 386 R CA 0.161 55.749 56.100 -0.852 0.000 1.457 386 R CB -0.087 30.058 30.300 -0.258 0.000 1.387 386 R HN -0.015 nan 8.270 nan 0.000 0.785 387 T N -1.450 112.463 114.554 -1.069 0.000 2.739 387 T HA 0.413 4.758 4.350 -0.008 0.000 0.303 387 T C -0.368 174.101 174.700 -0.386 0.000 1.389 387 T CA -0.451 61.362 62.100 -0.477 0.000 1.001 387 T CB 1.317 70.012 68.868 -0.288 0.000 1.436 387 T HN 0.427 nan 8.240 nan 0.000 0.500 388 G N 0.495 109.236 108.800 -0.099 0.000 2.544 388 G HA2 0.476 4.431 3.960 -0.008 0.000 0.242 388 G HA3 0.476 4.431 3.960 -0.008 0.000 0.242 388 G C 1.342 176.165 174.900 -0.128 0.000 1.247 388 G CA 0.204 45.200 45.100 -0.174 0.000 0.840 388 G HN 1.051 nan 8.290 nan 0.000 0.578 389 A N 1.870 124.631 122.820 -0.100 0.000 1.892 389 A HA -0.044 4.272 4.320 -0.008 0.000 0.218 389 A C 1.323 178.731 177.584 -0.294 0.000 1.188 389 A CA 2.136 53.988 52.037 -0.308 0.000 0.631 389 A CB -0.590 17.994 19.000 -0.694 0.000 0.822 389 A HN 1.055 nan 8.150 nan 0.000 0.447 390 N N -4.099 114.426 118.700 -0.291 0.000 2.647 390 N HA 0.457 5.192 4.740 -0.008 0.000 0.266 390 N C -2.919 172.570 175.510 -0.034 0.000 1.373 390 N CA -1.932 50.998 53.050 -0.199 0.000 0.807 390 N CB 0.598 38.919 38.487 -0.278 0.000 1.513 390 N HN -0.256 nan 8.380 nan 0.000 0.505 391 P HA -0.001 nan 4.420 nan 0.000 0.219 391 P C 1.247 178.622 177.300 0.125 0.000 1.146 391 P CA 1.844 64.906 63.100 -0.065 0.000 0.808 391 P CB -0.081 31.488 31.700 -0.220 0.000 0.779 392 G N -1.621 107.329 108.800 0.250 0.000 2.422 392 G HA2 -0.230 3.725 3.960 -0.008 0.000 0.218 392 G HA3 -0.230 3.725 3.960 -0.008 0.000 0.218 392 G C 1.308 176.391 174.900 0.305 0.000 1.140 392 G CA 0.201 45.449 45.100 0.248 0.000 0.775 392 G HN 0.211 nan 8.290 nan 0.000 0.545 393 F N -0.118 119.946 119.950 0.190 0.000 2.134 393 F HA -0.063 4.459 4.527 -0.009 0.000 0.299 393 F C 2.709 178.721 175.800 0.354 0.000 1.097 393 F CA 1.255 59.439 58.000 0.306 0.000 1.264 393 F CB -0.109 39.104 39.000 0.354 0.000 1.001 393 F HN 0.129 nan 8.300 nan 0.000 0.479 394 H N 0.494 119.867 119.070 0.505 0.000 2.387 394 H HA -0.109 4.443 4.556 -0.007 0.000 0.299 394 H C 1.986 177.431 175.328 0.196 0.000 1.090 394 H CA 1.524 57.834 56.048 0.437 0.000 1.332 394 H CB 0.056 29.974 29.762 0.260 0.000 1.386 394 H HN 0.221 nan 8.280 nan 0.000 0.516 395 E N 0.093 120.477 120.200 0.308 0.000 2.274 395 E HA -0.026 4.319 4.350 -0.008 0.000 0.194 395 E C 2.197 178.838 176.600 0.069 0.000 0.996 395 E CA 0.668 57.176 56.400 0.181 0.000 0.840 395 E CB -0.122 29.696 29.700 0.197 0.000 0.772 395 E HN 0.443 nan 8.360 nan 0.000 0.491 396 A N 0.980 123.849 122.820 0.081 0.000 1.970 396 A HA -0.039 4.276 4.320 -0.008 0.000 0.216 396 A C 2.534 180.098 177.584 -0.034 0.000 1.170 396 A CA 0.671 52.730 52.037 0.036 0.000 0.645 396 A CB -0.441 18.633 19.000 0.124 0.000 0.816 396 A HN 0.097 nan 8.150 nan 0.000 0.447 397 V N 0.280 120.147 119.914 -0.079 0.000 2.220 397 V HA -0.285 3.830 4.120 -0.008 0.000 0.250 397 V C 2.817 178.813 176.094 -0.163 0.000 1.056 397 V CA 2.318 64.557 62.300 -0.102 0.000 1.016 397 V CB -1.600 30.102 31.823 -0.202 0.000 0.639 397 V HN 0.563 nan 8.190 nan 0.000 0.446 398 G N -0.866 107.794 108.800 -0.232 0.000 2.422 398 G HA2 -0.223 3.732 3.960 -0.008 0.000 0.218 398 G HA3 -0.223 3.732 3.960 -0.008 0.000 0.218 398 G C 1.160 175.936 174.900 -0.207 0.000 1.140 398 G CA 0.957 45.946 45.100 -0.185 0.000 0.775 398 G HN 0.535 nan 8.290 nan 0.000 0.545 399 D N 0.137 120.420 120.400 -0.195 0.000 2.178 399 D HA -0.065 4.570 4.640 -0.008 0.000 0.202 399 D C 2.708 178.758 176.300 -0.417 0.000 0.974 399 D CA 0.362 54.185 54.000 -0.294 0.000 0.841 399 D CB -0.151 40.458 40.800 -0.320 0.000 0.953 399 D HN 0.201 nan 8.370 nan 0.000 0.478 400 V N 0.899 120.642 119.914 -0.284 0.000 2.343 400 V HA -0.216 3.899 4.120 -0.008 0.000 0.247 400 V C 2.478 178.429 176.094 -0.240 0.000 1.051 400 V CA 1.156 63.347 62.300 -0.181 0.000 1.036 400 V CB -0.426 31.490 31.823 0.156 0.000 0.654 400 V HN 0.272 nan 8.190 nan 0.000 0.451 401 L N -0.510 120.465 121.223 -0.413 0.000 2.072 401 L HA -0.099 4.236 4.340 -0.008 0.000 0.205 401 L C 2.631 179.046 176.870 -0.757 0.000 1.079 401 L CA 1.572 55.982 54.840 -0.718 0.000 0.752 401 L CB -0.964 40.458 42.059 -1.061 0.000 0.906 401 L HN 0.302 nan 8.230 nan 0.000 0.436 402 S N 0.454 115.782 115.700 -0.620 0.000 2.383 402 S HA -0.149 4.317 4.470 -0.008 0.000 0.229 402 S C 2.054 176.206 174.600 -0.746 0.000 1.030 402 S CA 1.200 59.011 58.200 -0.648 0.000 1.002 402 S CB -0.299 62.596 63.200 -0.508 0.000 0.829 402 S HN 0.280 nan 8.310 nan 0.000 0.467 403 L N 1.363 122.159 121.223 -0.713 0.000 2.042 403 L HA -0.154 4.181 4.340 -0.008 0.000 0.210 403 L C 2.724 179.314 176.870 -0.468 0.000 1.076 403 L CA 1.570 55.938 54.840 -0.787 0.000 0.749 403 L CB -0.587 40.680 42.059 -1.320 0.000 0.893 403 L HN 0.453 nan 8.230 nan 0.000 0.432 404 S N -1.455 114.102 115.700 -0.237 0.000 2.395 404 S HA -0.086 4.379 4.470 -0.008 0.000 0.225 404 S C 1.891 176.417 174.600 -0.124 0.000 1.027 404 S CA 0.707 58.917 58.200 0.017 0.000 0.965 404 S CB -0.552 62.779 63.200 0.217 0.000 0.812 404 S HN 0.138 nan 8.310 nan 0.000 0.482 405 V N 3.276 122.965 119.914 -0.375 0.000 2.392 405 V HA -0.160 3.955 4.120 -0.008 0.000 0.249 405 V C 3.086 179.178 176.094 -0.004 0.000 1.059 405 V CA 2.029 64.128 62.300 -0.334 0.000 1.051 405 V CB -1.164 30.357 31.823 -0.505 0.000 0.658 405 V HN 0.840 nan 8.190 nan 0.000 0.455 406 S N 0.012 115.620 115.700 -0.152 0.000 2.489 406 S HA -0.061 4.404 4.470 -0.008 0.000 0.228 406 S C 1.188 175.792 174.600 0.006 0.000 0.995 406 S CA 0.613 58.778 58.200 -0.059 0.000 0.934 406 S CB -0.898 62.011 63.200 -0.484 0.000 0.771 406 S HN 0.740 nan 8.310 nan 0.000 0.522 407 T N 0.077 114.637 114.554 0.009 0.000 2.930 407 T HA 0.293 4.638 4.350 -0.008 0.000 0.306 407 T C -1.813 172.887 174.700 -0.000 0.000 1.045 407 T CA -1.275 60.844 62.100 0.032 0.000 1.134 407 T CB 0.624 69.542 68.868 0.083 0.000 0.961 407 T HN -0.056 nan 8.240 nan 0.000 0.545 408 P HA -0.144 nan 4.420 nan 0.000 0.216 408 P C 1.602 178.834 177.300 -0.112 0.000 1.153 408 P CA 1.194 64.138 63.100 -0.260 0.000 0.858 408 P CB 0.060 31.505 31.700 -0.426 0.000 0.789 409 K N -0.918 119.475 120.400 -0.011 0.000 2.015 409 K HA -0.287 4.028 4.320 -0.008 0.000 0.216 409 K C 2.201 178.819 176.600 0.030 0.000 1.052 409 K CA 1.981 58.286 56.287 0.029 0.000 0.937 409 K CB -0.664 31.878 32.500 0.070 0.000 0.719 409 K HN 0.135 nan 8.250 nan 0.000 0.446 410 H N 0.012 119.079 119.070 -0.006 0.000 2.357 410 H HA 0.013 4.564 4.556 -0.008 0.000 0.301 410 H C 1.912 177.220 175.328 -0.034 0.000 1.082 410 H CA 1.789 57.832 56.048 -0.008 0.000 1.342 410 H CB 0.003 29.802 29.762 0.063 0.000 1.389 410 H HN 0.171 nan 8.280 nan 0.000 0.511 411 L N 0.072 121.304 121.223 0.014 0.000 2.201 411 L HA -0.105 4.230 4.340 -0.008 0.000 0.212 411 L C 2.279 179.085 176.870 -0.106 0.000 1.105 411 L CA 1.189 56.005 54.840 -0.040 0.000 0.775 411 L CB -0.261 41.781 42.059 -0.028 0.000 0.913 411 L HN 0.429 nan 8.230 nan 0.000 0.440 412 E N 0.234 120.367 120.200 -0.112 0.000 2.072 412 E HA -0.204 4.141 4.350 -0.008 0.000 0.191 412 E C 2.125 178.658 176.600 -0.113 0.000 0.985 412 E CA 0.898 57.244 56.400 -0.090 0.000 0.801 412 E CB 0.051 29.717 29.700 -0.056 0.000 0.750 412 E HN 0.427 nan 8.360 nan 0.000 0.452 413 K N 0.748 121.043 120.400 -0.176 0.000 2.103 413 K HA -0.151 4.164 4.320 -0.008 0.000 0.207 413 K C 2.107 178.566 176.600 -0.234 0.000 1.048 413 K CA 1.435 57.586 56.287 -0.227 0.000 0.930 413 K CB -0.267 32.021 32.500 -0.353 0.000 0.716 413 K HN 0.309 nan 8.250 nan 0.000 0.444 414 I N -3.134 117.281 120.570 -0.259 0.000 3.861 414 I HA 0.291 4.456 4.170 -0.008 0.000 0.329 414 I C 0.689 176.778 176.117 -0.047 0.000 1.321 414 I CA 0.131 61.339 61.300 -0.153 0.000 1.126 414 I CB 0.070 37.993 38.000 -0.128 0.000 1.018 414 I HN 0.157 nan 8.210 nan 0.000 0.407 415 G N 2.094 110.857 108.800 -0.061 0.000 2.179 415 G HA2 -0.269 3.686 3.960 -0.008 0.000 0.257 415 G HA3 -0.269 3.686 3.960 -0.008 0.000 0.257 415 G C 0.582 175.466 174.900 -0.027 0.000 1.010 415 G CA 0.669 45.752 45.100 -0.028 0.000 0.736 415 G HN 0.515 nan 8.290 nan 0.000 0.513 416 L N -1.531 119.663 121.223 -0.049 0.000 2.416 416 L HA 0.405 4.740 4.340 -0.008 0.000 0.216 416 L C 1.017 177.845 176.870 -0.069 0.000 1.098 416 L CA 0.171 54.964 54.840 -0.079 0.000 0.840 416 L CB 0.237 42.231 42.059 -0.108 0.000 0.981 416 L HN 0.283 nan 8.230 nan 0.000 0.462 417 L N 0.935 122.121 121.223 -0.062 0.000 2.319 417 L HA 0.398 4.734 4.340 -0.008 0.000 0.281 417 L C -0.639 176.226 176.870 -0.009 0.000 1.005 417 L CA -0.131 54.677 54.840 -0.054 0.000 0.828 417 L CB 1.050 43.028 42.059 -0.135 0.000 1.227 417 L HN -0.090 nan 8.230 nan 0.000 0.415 418 K N 3.925 124.342 120.400 0.028 0.000 2.259 418 K HA 0.455 4.770 4.320 -0.008 0.000 0.249 418 K C -0.780 175.871 176.600 0.085 0.000 0.942 418 K CA -0.856 55.458 56.287 0.044 0.000 0.816 418 K CB 1.425 33.940 32.500 0.024 0.000 1.155 418 K HN 0.584 nan 8.250 nan 0.000 0.428 419 D N 1.192 121.637 120.400 0.075 0.000 2.689 419 D HA -0.252 4.384 4.640 -0.008 0.000 0.237 419 D C -0.981 175.380 176.300 0.101 0.000 1.148 419 D CA 1.105 55.145 54.000 0.067 0.000 0.656 419 D CB -1.222 39.601 40.800 0.039 0.000 1.050 419 D HN 0.442 nan 8.370 nan 0.000 0.426 420 Y N 0.024 120.322 120.300 -0.004 0.000 2.326 420 Y HA 0.401 4.946 4.550 -0.007 0.000 0.337 420 Y C -0.221 175.674 175.900 -0.007 0.000 1.023 420 Y CA -0.683 57.415 58.100 -0.003 0.000 1.143 420 Y CB 1.111 39.572 38.460 0.002 0.000 1.183 420 Y HN -0.119 nan 8.280 nan 0.000 0.485 421 V N 8.072 127.720 119.914 -0.444 0.000 2.334 421 V HA 0.338 4.454 4.120 -0.008 0.000 0.281 421 V C 0.140 175.919 176.094 -0.525 0.000 1.016 421 V CA -0.879 61.222 62.300 -0.332 0.000 0.832 421 V CB 1.104 32.798 31.823 -0.215 0.000 0.999 421 V HN 0.706 nan 8.190 nan 0.000 0.439 422 R N 3.816 124.154 120.500 -0.270 0.000 3.701 422 R HA 0.154 4.489 4.340 -0.008 0.000 0.210 422 R C -0.093 176.138 176.300 -0.115 0.000 1.598 422 R CA -0.409 55.605 56.100 -0.142 0.000 1.427 422 R CB -0.237 30.148 30.300 0.141 0.000 1.339 422 R HN 0.920 nan 8.270 nan 0.000 0.720 423 D N -0.269 120.022 120.400 -0.182 0.000 2.478 423 D HA 0.020 4.656 4.640 -0.008 0.000 0.269 423 D C 0.470 176.678 176.300 -0.153 0.000 1.232 423 D CA -0.531 53.379 54.000 -0.151 0.000 1.059 423 D CB 0.561 41.258 40.800 -0.172 0.000 1.104 423 D HN 0.001 nan 8.370 nan 0.000 0.566 424 D N -0.672 119.632 120.400 -0.161 0.000 2.149 424 D HA -0.143 4.492 4.640 -0.008 0.000 0.198 424 D C 1.639 177.772 176.300 -0.279 0.000 0.990 424 D CA 1.223 55.121 54.000 -0.169 0.000 0.839 424 D CB -0.076 40.640 40.800 -0.140 0.000 0.948 424 D HN 0.570 nan 8.370 nan 0.000 0.460 425 E N 0.405 120.340 120.200 -0.442 0.000 2.072 425 E HA -0.027 4.319 4.350 -0.008 0.000 0.190 425 E C 2.124 178.535 176.600 -0.314 0.000 0.982 425 E CA 0.778 56.722 56.400 -0.759 0.000 0.803 425 E CB -0.018 28.983 29.700 -1.164 0.000 0.755 425 E HN 0.178 nan 8.360 nan 0.000 0.453 426 A N 1.672 124.359 122.820 -0.221 0.000 1.933 426 A HA -0.202 4.113 4.320 -0.008 0.000 0.218 426 A C 2.100 179.695 177.584 0.018 0.000 1.175 426 A CA 1.291 53.271 52.037 -0.095 0.000 0.628 426 A CB -0.415 18.433 19.000 -0.253 0.000 0.814 426 A HN 0.055 nan 8.150 nan 0.000 0.444 427 R N -0.380 120.101 120.500 -0.031 0.000 2.075 427 R HA -0.093 4.242 4.340 -0.008 0.000 0.232 427 R C 1.837 178.136 176.300 -0.002 0.000 1.126 427 R CA 1.535 57.639 56.100 0.008 0.000 0.963 427 R CB -0.280 30.005 30.300 -0.026 0.000 0.858 427 R HN 0.442 nan 8.270 nan 0.000 0.435 428 I N 1.868 122.388 120.570 -0.083 0.000 2.226 428 I HA -0.263 3.903 4.170 -0.008 0.000 0.245 428 I C 1.785 177.886 176.117 -0.027 0.000 1.100 428 I CA 1.288 62.494 61.300 -0.155 0.000 1.374 428 I CB -1.503 36.197 38.000 -0.499 0.000 1.057 428 I HN 0.207 nan 8.210 nan 0.000 0.413 429 N N 0.854 119.584 118.700 0.051 0.000 2.061 429 N HA -0.251 4.484 4.740 -0.008 0.000 0.193 429 N C 1.858 177.493 175.510 0.208 0.000 1.030 429 N CA 1.390 54.523 53.050 0.140 0.000 0.856 429 N CB -0.394 38.189 38.487 0.159 0.000 1.023 429 N HN 0.402 nan 8.380 nan 0.000 0.424 430 Q N 0.632 120.540 119.800 0.180 0.000 2.083 430 Q HA 0.094 4.429 4.340 -0.008 0.000 0.198 430 Q C 2.056 178.181 176.000 0.208 0.000 0.969 430 Q CA 1.066 56.980 55.803 0.185 0.000 0.838 430 Q CB -0.417 28.417 28.738 0.160 0.000 0.900 430 Q HN 0.373 nan 8.270 nan 0.000 0.436 431 L N -0.531 120.812 121.223 0.200 0.000 2.042 431 L HA -0.146 4.189 4.340 -0.008 0.000 0.210 431 L C 2.217 179.324 176.870 0.394 0.000 1.076 431 L CA 1.436 56.447 54.840 0.285 0.000 0.749 431 L CB -0.483 41.705 42.059 0.215 0.000 0.893 431 L HN 0.282 nan 8.230 nan 0.000 0.432 432 F N -0.084 119.968 119.950 0.170 0.000 2.134 432 F HA -0.273 4.249 4.527 -0.008 0.000 0.299 432 F C 2.286 178.193 175.800 0.178 0.000 1.097 432 F CA 1.322 59.417 58.000 0.158 0.000 1.264 432 F CB -0.005 39.050 39.000 0.092 0.000 1.001 432 F HN -0.037 nan 8.300 nan 0.000 0.479 433 L N 0.128 121.527 121.223 0.294 0.000 2.042 433 L HA -0.207 4.128 4.340 -0.008 0.000 0.210 433 L C 2.213 179.163 176.870 0.132 0.000 1.076 433 L CA 2.500 57.461 54.840 0.201 0.000 0.749 433 L CB -1.313 40.874 42.059 0.213 0.000 0.893 433 L HN 0.146 nan 8.230 nan 0.000 0.432 434 T N -0.115 114.555 114.554 0.193 0.000 2.777 434 T HA -0.115 4.231 4.350 -0.008 0.000 0.266 434 T C 1.922 176.747 174.700 0.208 0.000 1.040 434 T CA 1.259 63.489 62.100 0.216 0.000 1.141 434 T CB -0.588 68.478 68.868 0.330 0.000 0.868 434 T HN 0.526 nan 8.240 nan 0.000 0.444 435 A N 1.385 124.292 122.820 0.145 0.000 1.933 435 A HA 0.034 4.349 4.320 -0.008 0.000 0.218 435 A C 2.245 179.653 177.584 -0.293 0.000 1.175 435 A CA 1.085 52.947 52.037 -0.292 0.000 0.628 435 A CB -0.866 17.874 19.000 -0.434 0.000 0.814 435 A HN 0.494 nan 8.150 nan 0.000 0.444 436 L N -0.790 120.276 121.223 -0.261 0.000 2.265 436 L HA -0.158 4.177 4.340 -0.008 0.000 0.215 436 L C 1.637 178.435 176.870 -0.119 0.000 1.117 436 L CA 1.098 55.810 54.840 -0.214 0.000 0.782 436 L CB -0.372 41.651 42.059 -0.061 0.000 0.914 436 L HN 0.304 nan 8.230 nan 0.000 0.441 437 D N -0.807 119.575 120.400 -0.030 0.000 2.338 437 D HA -0.041 4.594 4.640 -0.008 0.000 0.224 437 D C 2.174 178.561 176.300 0.145 0.000 0.967 437 D CA 0.766 54.791 54.000 0.042 0.000 0.896 437 D CB 0.323 41.143 40.800 0.034 0.000 1.028 437 D HN 0.060 nan 8.370 nan 0.000 0.493 438 K N 0.190 120.662 120.400 0.120 0.000 2.214 438 K HA 0.149 4.465 4.320 -0.008 0.000 0.201 438 K C 1.941 178.658 176.600 0.195 0.000 1.049 438 K CA 0.160 56.613 56.287 0.277 0.000 0.978 438 K CB 0.483 33.161 32.500 0.296 0.000 0.842 438 K HN 0.106 nan 8.250 nan 0.000 0.474 439 I N 0.996 121.488 120.570 -0.129 0.000 2.339 439 I HA -0.117 4.048 4.170 -0.008 0.000 0.245 439 I C 2.381 178.470 176.117 -0.047 0.000 1.096 439 I CA 0.712 61.913 61.300 -0.164 0.000 1.408 439 I CB -1.073 36.704 38.000 -0.372 0.000 1.092 439 I HN -0.231 nan 8.210 nan 0.000 0.423 440 V N 1.164 120.998 119.914 -0.133 0.000 2.370 440 V HA -0.323 3.792 4.120 -0.008 0.000 0.252 440 V C 2.432 178.418 176.094 -0.180 0.000 1.068 440 V CA 1.985 64.126 62.300 -0.265 0.000 1.061 440 V CB -0.835 30.470 31.823 -0.863 0.000 0.656 440 V HN 0.302 nan 8.190 nan 0.000 0.455 441 F N -0.029 119.803 119.950 -0.196 0.000 2.293 441 F HA -0.107 4.416 4.527 -0.007 0.000 0.300 441 F C 1.940 177.672 175.800 -0.113 0.000 1.086 441 F CA 1.289 59.191 58.000 -0.163 0.000 1.375 441 F CB -0.150 38.682 39.000 -0.280 0.000 1.045 441 F HN 0.062 nan 8.300 nan 0.000 0.516 442 L N 0.956 122.142 121.223 -0.062 0.000 1.989 442 L HA -0.178 4.157 4.340 -0.008 0.000 0.211 442 L C -0.245 176.532 176.870 -0.155 0.000 1.071 442 L CA 1.459 56.255 54.840 -0.074 0.000 0.749 442 L CB -2.526 39.602 42.059 0.116 0.000 0.890 442 L HN 0.090 nan 8.230 nan 0.000 0.431 443 P HA -0.231 nan 4.420 nan 0.000 0.217 443 P C 1.699 178.841 177.300 -0.264 0.000 1.150 443 P CA 1.465 64.477 63.100 -0.147 0.000 0.832 443 P CB -0.162 31.492 31.700 -0.077 0.000 0.787 444 F N 1.778 121.501 119.950 -0.380 0.000 2.043 444 F HA -0.214 4.308 4.527 -0.008 0.000 0.297 444 F C 2.344 177.825 175.800 -0.531 0.000 1.121 444 F CA 2.173 59.928 58.000 -0.408 0.000 1.199 444 F CB -1.035 37.738 39.000 -0.379 0.000 0.968 444 F HN -0.071 nan 8.300 nan 0.000 0.478 445 A N 0.073 122.484 122.820 -0.682 0.000 1.902 445 A HA -0.206 4.109 4.320 -0.008 0.000 0.217 445 A C 2.189 179.536 177.584 -0.396 0.000 1.181 445 A CA 1.564 53.278 52.037 -0.538 0.000 0.623 445 A CB -1.520 17.130 19.000 -0.583 0.000 0.818 445 A HN 0.512 nan 8.150 nan 0.000 0.443 446 F N 1.904 121.480 119.950 -0.623 0.000 2.134 446 F HA -0.159 4.364 4.527 -0.007 0.000 0.299 446 F C 2.881 178.200 175.800 -0.801 0.000 1.097 446 F CA 1.905 59.485 58.000 -0.700 0.000 1.264 446 F CB -1.094 37.371 39.000 -0.892 0.000 1.001 446 F HN 0.426 nan 8.300 nan 0.000 0.479 447 T N -2.434 111.718 114.554 -0.670 0.000 2.915 447 T HA -0.191 4.154 4.350 -0.008 0.000 0.269 447 T C 2.033 176.355 174.700 -0.630 0.000 1.071 447 T CA 1.125 62.791 62.100 -0.724 0.000 1.132 447 T CB -0.355 68.114 68.868 -0.665 0.000 0.878 447 T HN 0.054 nan 8.240 nan 0.000 0.479 448 M N 1.882 121.049 119.600 -0.722 0.000 2.108 448 M HA -0.040 4.435 4.480 -0.008 0.000 0.261 448 M C 1.576 177.637 176.300 -0.397 0.000 1.066 448 M CA 1.540 56.468 55.300 -0.620 0.000 1.107 448 M CB -1.140 30.877 32.600 -0.972 0.000 1.356 448 M HN 0.264 nan 8.290 nan 0.000 0.406 449 D N -0.483 119.610 120.400 -0.511 0.000 2.240 449 D HA -0.000 4.635 4.640 -0.008 0.000 0.206 449 D C 2.001 177.574 176.300 -1.211 0.000 0.963 449 D CA 0.636 54.176 54.000 -0.767 0.000 0.863 449 D CB 0.010 40.328 40.800 -0.804 0.000 0.973 449 D HN 0.270 nan 8.370 nan 0.000 0.501 450 K N -0.184 119.638 120.400 -0.964 0.000 2.063 450 K HA -0.196 4.119 4.320 -0.008 0.000 0.208 450 K C 1.981 178.394 176.600 -0.311 0.000 1.048 450 K CA 0.933 56.846 56.287 -0.623 0.000 0.928 450 K CB -0.192 31.912 32.500 -0.660 0.000 0.713 450 K HN 0.172 nan 8.250 nan 0.000 0.442 451 Y N 1.721 121.766 120.300 -0.425 0.000 2.114 451 Y HA -0.199 4.346 4.550 -0.008 0.000 0.284 451 Y C 2.096 177.808 175.900 -0.313 0.000 1.143 451 Y CA 1.540 59.464 58.100 -0.293 0.000 1.135 451 Y CB -0.069 38.262 38.460 -0.215 0.000 0.980 451 Y HN -0.093 nan 8.280 nan 0.000 0.499 452 R N -1.225 119.000 120.500 -0.458 0.000 2.092 452 R HA -0.194 4.141 4.340 -0.008 0.000 0.231 452 R C 2.090 177.880 176.300 -0.851 0.000 1.119 452 R CA 1.433 57.076 56.100 -0.763 0.000 0.970 452 R CB -0.624 29.380 30.300 -0.495 0.000 0.864 452 R HN 0.404 nan 8.270 nan 0.000 0.440 453 W N 1.051 122.082 121.300 -0.448 0.000 2.318 453 W HA -0.179 4.476 4.660 -0.008 0.000 0.313 453 W C 2.635 179.015 176.519 -0.231 0.000 1.221 453 W CA 1.449 58.658 57.345 -0.226 0.000 1.266 453 W CB -1.408 28.027 29.460 -0.041 0.000 1.150 453 W HN 0.190 nan 8.180 nan 0.000 0.496 454 S N 0.063 115.737 115.700 -0.043 0.000 2.402 454 S HA -0.148 4.318 4.470 -0.008 0.000 0.229 454 S C 1.960 176.451 174.600 -0.181 0.000 1.021 454 S CA 1.356 59.508 58.200 -0.080 0.000 0.974 454 S CB -0.933 62.217 63.200 -0.083 0.000 0.800 454 S HN 0.259 nan 8.310 nan 0.000 0.484 455 L N -0.403 120.555 121.223 -0.442 0.000 2.072 455 L HA 0.058 4.393 4.340 -0.008 0.000 0.205 455 L C 2.614 179.407 176.870 -0.129 0.000 1.079 455 L CA 1.430 55.981 54.840 -0.481 0.000 0.752 455 L CB -0.817 40.662 42.059 -0.966 0.000 0.906 455 L HN 0.284 nan 8.230 nan 0.000 0.436 456 F N 0.471 120.292 119.950 -0.216 0.000 2.126 456 F HA -0.208 4.314 4.527 -0.008 0.000 0.299 456 F C 2.611 178.346 175.800 -0.108 0.000 1.096 456 F CA 0.727 58.612 58.000 -0.191 0.000 1.255 456 F CB -0.184 38.680 39.000 -0.226 0.000 0.997 456 F HN -0.000 nan 8.300 nan 0.000 0.479 457 R N 0.233 120.809 120.500 0.127 0.000 2.323 457 R HA 0.055 4.390 4.340 -0.008 0.000 0.198 457 R C 1.301 177.641 176.300 0.066 0.000 0.988 457 R CA 0.563 56.706 56.100 0.073 0.000 1.041 457 R CB -0.338 29.997 30.300 0.059 0.000 0.926 457 R HN 0.383 nan 8.270 nan 0.000 0.476 458 G N 1.430 110.278 108.800 0.080 0.000 2.176 458 G HA2 -0.301 3.654 3.960 -0.008 0.000 0.252 458 G HA3 -0.301 3.654 3.960 -0.008 0.000 0.252 458 G C 0.331 175.293 174.900 0.103 0.000 1.024 458 G CA 0.434 45.598 45.100 0.107 0.000 0.755 458 G HN 0.472 nan 8.290 nan 0.000 0.507 459 E N -1.282 118.968 120.200 0.083 0.000 2.442 459 E HA 0.241 4.587 4.350 -0.008 0.000 0.195 459 E C 0.622 177.288 176.600 0.110 0.000 1.030 459 E CA 0.549 56.997 56.400 0.080 0.000 0.869 459 E CB 0.678 30.413 29.700 0.058 0.000 0.857 459 E HN 0.404 nan 8.360 nan 0.000 0.505 460 V N 2.278 122.286 119.914 0.157 0.000 2.487 460 V HA 0.137 4.252 4.120 -0.008 0.000 0.298 460 V C -0.366 175.971 176.094 0.405 0.000 1.028 460 V CA -1.091 61.359 62.300 0.249 0.000 0.860 460 V CB 1.877 33.831 31.823 0.218 0.000 0.991 460 V HN -0.000 nan 8.190 nan 0.000 0.427 461 D N 3.213 123.782 120.400 0.281 0.000 2.414 461 D HA 0.129 4.764 4.640 -0.008 0.000 0.242 461 D C 1.037 177.388 176.300 0.084 0.000 1.129 461 D CA -0.079 54.026 54.000 0.174 0.000 0.885 461 D CB 1.537 42.391 40.800 0.091 0.000 1.198 461 D HN 0.458 nan 8.370 nan 0.000 0.437 462 K N 1.322 121.544 120.400 -0.297 0.000 2.160 462 K HA -0.195 4.120 4.320 -0.008 0.000 0.206 462 K C 1.696 178.038 176.600 -0.430 0.000 1.047 462 K CA 1.256 56.982 56.287 -0.935 0.000 0.930 462 K CB 0.009 32.018 32.500 -0.819 0.000 0.720 462 K HN 0.415 nan 8.250 nan 0.000 0.450 463 A N 1.070 123.800 122.820 -0.150 0.000 2.121 463 A HA -0.119 4.196 4.320 -0.008 0.000 0.218 463 A C 0.990 178.632 177.584 0.096 0.000 1.154 463 A CA 1.275 53.298 52.037 -0.023 0.000 0.679 463 A CB -0.286 18.713 19.000 -0.002 0.000 0.795 463 A HN 0.406 nan 8.150 nan 0.000 0.458 464 N N -2.238 116.574 118.700 0.186 0.000 2.200 464 N HA 0.077 4.813 4.740 -0.008 0.000 0.224 464 N C 0.472 176.267 175.510 0.475 0.000 1.179 464 N CA -0.386 52.838 53.050 0.289 0.000 0.877 464 N CB 0.211 38.846 38.487 0.246 0.000 1.072 464 N HN 0.497 nan 8.380 nan 0.000 0.519 465 W N 1.434 122.882 121.300 0.246 0.000 2.388 465 W HA 0.028 4.684 4.660 -0.008 0.000 0.294 465 W C 2.122 178.918 176.519 0.462 0.000 1.212 465 W CA 0.645 58.215 57.345 0.375 0.000 1.271 465 W CB -0.729 28.980 29.460 0.415 0.000 1.126 465 W HN 0.199 nan 8.180 nan 0.000 0.535 466 N N -0.884 118.184 118.700 0.613 0.000 2.135 466 N HA -0.123 4.613 4.740 -0.008 0.000 0.186 466 N C 1.591 177.312 175.510 0.352 0.000 1.027 466 N CA 1.864 55.160 53.050 0.411 0.000 0.849 466 N CB -0.697 38.047 38.487 0.428 0.000 1.002 466 N HN -0.085 nan 8.380 nan 0.000 0.425 467 c N -0.020 118.801 118.600 0.369 0.000 2.448 467 c HA 0.277 4.842 4.570 -0.008 0.000 0.280 467 c C 2.644 176.900 174.090 0.277 0.000 1.398 467 c CA 0.263 56.797 56.329 0.341 0.000 1.774 467 c CB -1.432 41.243 42.510 0.274 0.000 1.888 467 c HN 0.524 nan 8.230 nan 0.000 0.519 468 A N 0.170 123.170 122.820 0.300 0.000 1.972 468 A HA -0.186 4.129 4.320 -0.008 0.000 0.219 468 A C 1.848 179.548 177.584 0.194 0.000 1.169 468 A CA 1.500 53.705 52.037 0.279 0.000 0.635 468 A CB -0.701 18.509 19.000 0.350 0.000 0.810 468 A HN 0.543 nan 8.150 nan 0.000 0.446 469 F N -0.944 118.908 119.950 -0.164 0.000 2.084 469 F HA -0.124 4.398 4.527 -0.008 0.000 0.296 469 F C 2.005 177.503 175.800 -0.503 0.000 1.111 469 F CA 1.653 59.165 58.000 -0.812 0.000 1.224 469 F CB -0.572 37.559 39.000 -1.447 0.000 0.991 469 F HN 0.381 nan 8.300 nan 0.000 0.471 470 W N 0.906 122.159 121.300 -0.077 0.000 2.425 470 W HA -0.081 4.575 4.660 -0.008 0.000 0.277 470 W C 2.407 178.870 176.519 -0.092 0.000 1.231 470 W CA 0.787 58.065 57.345 -0.113 0.000 1.248 470 W CB -0.313 29.175 29.460 0.046 0.000 1.117 470 W HN -0.082 nan 8.180 nan 0.000 0.568 471 K N 0.351 120.848 120.400 0.162 0.000 2.057 471 K HA -0.173 4.142 4.320 -0.008 0.000 0.207 471 K C 1.832 178.486 176.600 0.090 0.000 1.049 471 K CA 1.378 57.745 56.287 0.133 0.000 0.931 471 K CB -0.590 31.991 32.500 0.136 0.000 0.714 471 K HN 0.215 nan 8.250 nan 0.000 0.440 472 L N 0.616 121.837 121.223 -0.004 0.000 2.056 472 L HA -0.170 4.165 4.340 -0.008 0.000 0.207 472 L C 2.450 179.319 176.870 -0.002 0.000 1.078 472 L CA 0.969 55.814 54.840 0.008 0.000 0.749 472 L CB -0.314 41.648 42.059 -0.163 0.000 0.901 472 L HN 0.096 nan 8.230 nan 0.000 0.433 473 R N -0.041 120.344 120.500 -0.192 0.000 2.105 473 R HA -0.183 4.152 4.340 -0.008 0.000 0.239 473 R C 1.826 178.174 176.300 0.081 0.000 1.135 473 R CA 1.556 57.600 56.100 -0.093 0.000 0.967 473 R CB -0.939 29.303 30.300 -0.098 0.000 0.861 473 R HN 0.426 nan 8.270 nan 0.000 0.442 474 D N 0.872 121.342 120.400 0.116 0.000 2.075 474 D HA -0.189 4.446 4.640 -0.008 0.000 0.196 474 D C 1.772 178.249 176.300 0.295 0.000 0.985 474 D CA 1.468 55.547 54.000 0.132 0.000 0.834 474 D CB -0.142 40.758 40.800 0.167 0.000 0.987 474 D HN 0.317 nan 8.370 nan 0.000 0.452 475 E N -1.583 118.782 120.200 0.275 0.000 2.070 475 E HA -0.240 4.105 4.350 -0.008 0.000 0.197 475 E C 2.116 178.847 176.600 0.218 0.000 1.004 475 E CA 1.264 57.794 56.400 0.217 0.000 0.805 475 E CB -0.188 29.521 29.700 0.014 0.000 0.744 475 E HN 0.451 nan 8.360 nan 0.000 0.451 476 Y N -0.756 119.684 120.300 0.233 0.000 2.343 476 Y HA 0.112 4.658 4.550 -0.008 0.000 0.294 476 Y C 2.528 178.608 175.900 0.300 0.000 1.122 476 Y CA 0.910 59.154 58.100 0.242 0.000 1.173 476 Y CB 0.427 38.877 38.460 -0.017 0.000 1.077 476 Y HN -0.016 nan 8.280 nan 0.000 0.542 477 S N -1.563 114.316 115.700 0.298 0.000 2.502 477 S HA 0.202 4.667 4.470 -0.008 0.000 0.215 477 S C 1.406 175.986 174.600 -0.033 0.000 1.009 477 S CA 0.553 58.901 58.200 0.247 0.000 0.908 477 S CB 0.247 63.596 63.200 0.249 0.000 0.801 477 S HN 0.601 nan 8.310 nan 0.000 0.505 478 G N 2.349 110.778 108.800 -0.618 0.000 2.273 478 G HA2 -0.252 3.703 3.960 -0.008 0.000 0.280 478 G HA3 -0.252 3.703 3.960 -0.008 0.000 0.280 478 G C -0.103 174.472 174.900 -0.542 0.000 1.047 478 G CA 0.733 44.794 45.100 -1.732 0.000 0.869 478 G HN 0.604 nan 8.290 nan 0.000 0.502 479 I N -3.384 117.070 120.570 -0.194 0.000 2.957 479 I HA 1.048 5.213 4.170 -0.008 0.000 0.310 479 I C -0.349 175.730 176.117 -0.062 0.000 1.063 479 I CA -1.696 59.567 61.300 -0.062 0.000 1.033 479 I CB 2.148 40.208 38.000 0.100 0.000 1.230 479 I HN 0.436 nan 8.210 nan 0.000 0.447 480 E N 1.508 121.626 120.200 -0.136 0.000 2.412 480 E HA 0.618 4.963 4.350 -0.008 0.000 0.279 480 E C -3.124 173.165 176.600 -0.519 0.000 0.984 480 E CA -2.188 54.051 56.400 -0.269 0.000 0.788 480 E CB 1.590 31.144 29.700 -0.244 0.000 1.277 480 E HN 0.312 nan 8.360 nan 0.000 0.455 481 P HA 0.034 nan 4.420 nan 0.000 0.268 481 P C -1.879 174.791 177.300 -1.051 0.000 1.208 481 P CA -0.957 61.367 63.100 -1.293 0.000 0.777 481 P CB 0.188 31.036 31.700 -1.420 0.000 0.875 482 P HA -0.058 nan 4.420 nan 0.000 0.225 482 P C 0.162 177.029 177.300 -0.720 0.000 1.156 482 P CA 1.163 63.623 63.100 -1.066 0.000 0.787 482 P CB 0.195 30.942 31.700 -1.588 0.000 0.802 483 V N -4.281 115.210 119.914 -0.704 0.000 3.102 483 V HA 0.486 4.601 4.120 -0.008 0.000 0.312 483 V C -0.096 175.781 176.094 -0.362 0.000 1.135 483 V CA -1.431 60.623 62.300 -0.411 0.000 1.022 483 V CB 1.893 33.554 31.823 -0.270 0.000 1.056 483 V HN -0.331 nan 8.190 nan 0.000 0.436 484 V N 3.769 123.552 119.914 -0.220 0.000 2.529 484 V HA 0.347 4.463 4.120 -0.008 0.000 0.292 484 V C 0.541 176.572 176.094 -0.106 0.000 1.028 484 V CA 0.019 62.224 62.300 -0.159 0.000 1.074 484 V CB -0.228 31.541 31.823 -0.090 0.000 0.958 484 V HN 0.896 nan 8.190 nan 0.000 0.481 485 R N 3.324 123.763 120.500 -0.101 0.000 2.758 485 R HA 0.802 5.137 4.340 -0.008 0.000 0.265 485 R C 0.095 176.444 176.300 0.082 0.000 1.016 485 R CA -0.458 55.656 56.100 0.022 0.000 1.040 485 R CB 1.896 32.230 30.300 0.056 0.000 1.152 485 R HN 0.863 nan 8.270 nan 0.000 0.503 486 S N -1.004 114.783 115.700 0.145 0.000 2.840 486 S HA 0.312 4.777 4.470 -0.008 0.000 0.307 486 S C 0.211 174.934 174.600 0.204 0.000 1.180 486 S CA -0.781 57.510 58.200 0.151 0.000 0.846 486 S CB 1.351 64.614 63.200 0.105 0.000 1.233 486 S HN 0.414 nan 8.310 nan 0.000 0.548 487 E N 0.581 120.890 120.200 0.181 0.000 2.511 487 E HA 0.078 4.424 4.350 -0.008 0.000 0.196 487 E C 1.023 177.724 176.600 0.168 0.000 1.066 487 E CA 0.338 56.857 56.400 0.199 0.000 0.871 487 E CB -0.217 29.579 29.700 0.161 0.000 0.863 487 E HN 0.537 nan 8.360 nan 0.000 0.520 488 K N 0.640 121.125 120.400 0.142 0.000 2.366 488 K HA -0.010 4.305 4.320 -0.008 0.000 0.198 488 K C 0.442 177.134 176.600 0.153 0.000 1.044 488 K CA 0.526 56.885 56.287 0.119 0.000 0.973 488 K CB 0.309 32.863 32.500 0.090 0.000 0.767 488 K HN 0.089 nan 8.250 nan 0.000 0.475 489 D N -0.424 120.099 120.400 0.205 0.000 2.326 489 D HA 0.190 4.826 4.640 -0.008 0.000 0.251 489 D C -1.042 175.469 176.300 0.352 0.000 1.023 489 D CA -0.345 53.802 54.000 0.244 0.000 0.966 489 D CB 1.334 42.286 40.800 0.253 0.000 1.156 489 D HN -0.169 nan 8.370 nan 0.000 0.494 490 F N 1.230 121.248 119.950 0.113 0.000 2.902 490 F HA 0.183 4.706 4.527 -0.008 0.000 0.368 490 F C 0.065 175.839 175.800 -0.045 0.000 1.202 490 F CA -0.663 57.369 58.000 0.052 0.000 1.109 490 F CB 1.046 40.073 39.000 0.045 0.000 1.418 490 F HN 0.065 nan 8.300 nan 0.000 0.527 491 D N 3.040 123.162 120.400 -0.464 0.000 2.355 491 D HA 0.103 4.738 4.640 -0.008 0.000 0.206 491 D C 2.099 177.882 176.300 -0.862 0.000 1.010 491 D CA 0.853 54.672 54.000 -0.301 0.000 0.875 491 D CB 0.460 41.468 40.800 0.347 0.000 0.966 491 D HN 0.566 nan 8.370 nan 0.000 0.512 492 A N 2.148 123.981 122.820 -1.645 0.000 1.892 492 A HA -0.144 4.171 4.320 -0.008 0.000 0.218 492 A C -0.409 176.611 177.584 -0.941 0.000 1.188 492 A CA 1.374 52.341 52.037 -1.783 0.000 0.631 492 A CB -1.467 16.508 19.000 -1.707 0.000 0.822 492 A HN 0.167 nan 8.150 nan 0.000 0.447 493 P HA 0.104 nan 4.420 nan 0.000 0.242 493 P C 1.115 178.300 177.300 -0.191 0.000 1.197 493 P CA 0.995 63.863 63.100 -0.387 0.000 0.765 493 P CB -0.020 31.544 31.700 -0.227 0.000 0.936 494 A N -0.780 121.876 122.820 -0.273 0.000 2.172 494 A HA -0.107 4.208 4.320 -0.008 0.000 0.216 494 A C 1.320 179.134 177.584 0.384 0.000 1.154 494 A CA 0.938 52.875 52.037 -0.168 0.000 0.701 494 A CB -0.831 17.704 19.000 -0.775 0.000 0.789 494 A HN 0.050 nan 8.150 nan 0.000 0.465 495 K N -0.962 119.466 120.400 0.048 0.000 2.211 495 K HA 0.342 4.657 4.320 -0.008 0.000 0.275 495 K C 0.414 176.823 176.600 -0.319 0.000 1.024 495 K CA -0.774 55.385 56.287 -0.213 0.000 0.887 495 K CB 0.240 32.544 32.500 -0.327 0.000 1.084 495 K HN 0.223 nan 8.250 nan 0.000 0.463 496 Y N 4.147 124.057 120.300 -0.652 0.000 2.069 496 Y HA -0.345 4.200 4.550 -0.008 0.000 0.278 496 Y C 1.114 176.582 175.900 -0.721 0.000 1.175 496 Y CA 2.454 59.841 58.100 -1.188 0.000 1.134 496 Y CB -0.285 37.454 38.460 -1.201 0.000 0.965 496 Y HN 0.937 nan 8.280 nan 0.000 0.498 497 H N -0.525 118.228 119.070 -0.528 0.000 2.457 497 H HA -0.127 4.424 4.556 -0.008 0.000 0.297 497 H C 2.257 177.414 175.328 -0.286 0.000 1.092 497 H CA 1.937 57.776 56.048 -0.349 0.000 1.309 497 H CB -0.370 29.428 29.762 0.061 0.000 1.382 497 H HN 0.422 nan 8.280 nan 0.000 0.535 498 I N -0.811 119.656 120.570 -0.172 0.000 2.333 498 I HA -0.188 3.977 4.170 -0.008 0.000 0.246 498 I C 2.134 178.207 176.117 -0.073 0.000 1.106 498 I CA 0.863 62.129 61.300 -0.057 0.000 1.411 498 I CB -0.174 37.732 38.000 -0.156 0.000 1.082 498 I HN 0.126 nan 8.210 nan 0.000 0.420 499 S N 0.706 116.250 115.700 -0.259 0.000 2.399 499 S HA -0.073 4.392 4.470 -0.008 0.000 0.231 499 S C 1.898 176.288 174.600 -0.350 0.000 1.022 499 S CA 1.390 59.449 58.200 -0.236 0.000 0.983 499 S CB -0.139 62.920 63.200 -0.234 0.000 0.803 499 S HN 0.525 nan 8.310 nan 0.000 0.480 500 A N 0.448 122.921 122.820 -0.578 0.000 2.308 500 A HA 0.290 4.606 4.320 -0.008 0.000 0.217 500 A C 0.535 177.945 177.584 -0.290 0.000 1.216 500 A CA 0.382 52.082 52.037 -0.561 0.000 0.864 500 A CB -0.183 18.139 19.000 -1.131 0.000 0.902 500 A HN 0.375 nan 8.150 nan 0.000 0.499 501 D N -0.881 119.409 120.400 -0.183 0.000 2.697 501 D HA -0.133 4.502 4.640 -0.008 0.000 0.238 501 D C -0.823 175.576 176.300 0.165 0.000 1.152 501 D CA 0.844 54.900 54.000 0.093 0.000 0.666 501 D CB -1.621 39.246 40.800 0.112 0.000 1.037 501 D HN 0.199 nan 8.370 nan 0.000 0.423 502 V N 1.841 121.799 119.914 0.073 0.000 2.357 502 V HA 0.271 4.386 4.120 -0.008 0.000 0.284 502 V C 0.687 176.741 176.094 -0.066 0.000 1.018 502 V CA -0.978 61.339 62.300 0.029 0.000 0.841 502 V CB 1.682 33.548 31.823 0.070 0.000 0.991 502 V HN 0.289 nan 8.190 nan 0.000 0.437 503 E N 2.833 122.732 120.200 -0.501 0.000 2.502 503 E HA -0.109 4.237 4.350 -0.008 0.000 0.261 503 E C -0.570 175.839 176.600 -0.317 0.000 0.974 503 E CA 0.479 56.266 56.400 -1.022 0.000 0.936 503 E CB 0.630 29.482 29.700 -1.414 0.000 0.926 503 E HN 0.698 nan 8.360 nan 0.000 0.459 504 Y N 4.022 124.129 120.300 -0.321 0.000 2.462 504 Y HA 0.021 4.567 4.550 -0.007 0.000 0.253 504 Y C 1.827 177.700 175.900 -0.046 0.000 1.095 504 Y CA 0.045 58.100 58.100 -0.075 0.000 1.283 504 Y CB 0.351 38.724 38.460 -0.145 0.000 1.138 504 Y HN 0.595 nan 8.280 nan 0.000 0.522 505 L N 1.430 122.660 121.223 0.011 0.000 2.127 505 L HA -0.234 4.101 4.340 -0.008 0.000 0.211 505 L C 2.575 179.449 176.870 0.006 0.000 1.089 505 L CA 1.843 56.705 54.840 0.036 0.000 0.757 505 L CB -0.520 41.668 42.059 0.216 0.000 0.899 505 L HN 0.262 nan 8.230 nan 0.000 0.434 506 R N -1.848 118.634 120.500 -0.030 0.000 2.153 506 R HA -0.276 4.059 4.340 -0.008 0.000 0.252 506 R C 1.940 178.126 176.300 -0.189 0.000 1.158 506 R CA 2.350 58.385 56.100 -0.109 0.000 0.975 506 R CB -1.341 28.755 30.300 -0.340 0.000 0.871 506 R HN 0.366 nan 8.270 nan 0.000 0.450 507 Y N 0.597 120.841 120.300 -0.094 0.000 2.337 507 Y HA -0.015 4.530 4.550 -0.008 0.000 0.293 507 Y C 2.222 178.176 175.900 0.089 0.000 1.123 507 Y CA 0.531 58.620 58.100 -0.017 0.000 1.201 507 Y CB -0.348 37.968 38.460 -0.241 0.000 1.011 507 Y HN 0.027 nan 8.280 nan 0.000 0.545 508 L N -0.451 120.818 121.223 0.077 0.000 2.017 508 L HA -0.134 4.201 4.340 -0.008 0.000 0.208 508 L C 2.131 179.007 176.870 0.011 0.000 1.073 508 L CA 1.473 56.293 54.840 -0.034 0.000 0.745 508 L CB -0.928 40.966 42.059 -0.276 0.000 0.894 508 L HN 0.041 nan 8.230 nan 0.000 0.432 509 V N -0.887 119.016 119.914 -0.018 0.000 2.287 509 V HA -0.305 3.810 4.120 -0.008 0.000 0.248 509 V C 2.784 178.901 176.094 0.037 0.000 1.053 509 V CA 1.902 64.190 62.300 -0.019 0.000 1.027 509 V CB -1.026 30.825 31.823 0.047 0.000 0.646 509 V HN 0.668 nan 8.190 nan 0.000 0.447 510 S N -0.419 115.360 115.700 0.132 0.000 2.365 510 S HA -0.241 4.224 4.470 -0.008 0.000 0.225 510 S C 1.882 176.603 174.600 0.201 0.000 1.039 510 S CA 2.022 60.321 58.200 0.165 0.000 1.033 510 S CB -0.531 62.843 63.200 0.289 0.000 0.887 510 S HN 0.559 nan 8.310 nan 0.000 0.447 511 F N 0.709 120.701 119.950 0.071 0.000 2.365 511 F HA 0.065 4.587 4.527 -0.008 0.000 0.300 511 F C 1.936 177.844 175.800 0.181 0.000 1.090 511 F CA 0.597 58.676 58.000 0.132 0.000 1.408 511 F CB -0.110 39.024 39.000 0.223 0.000 1.060 511 F HN 0.261 nan 8.300 nan 0.000 0.534 512 I N 0.233 120.930 120.570 0.212 0.000 2.270 512 I HA -0.217 3.949 4.170 -0.008 0.000 0.239 512 I C 2.341 178.448 176.117 -0.017 0.000 1.080 512 I CA 1.036 62.389 61.300 0.088 0.000 1.383 512 I CB -0.445 37.543 38.000 -0.019 0.000 1.097 512 I HN 0.048 nan 8.210 nan 0.000 0.420 513 I N 0.069 120.522 120.570 -0.195 0.000 2.493 513 I HA -0.249 3.916 4.170 -0.008 0.000 0.254 513 I C 2.499 178.181 176.117 -0.725 0.000 1.160 513 I CA 1.210 62.188 61.300 -0.536 0.000 1.445 513 I CB -0.800 36.739 38.000 -0.769 0.000 1.086 513 I HN 0.370 nan 8.210 nan 0.000 0.433 514 Q N 1.177 120.740 119.800 -0.394 0.000 2.226 514 Q HA -0.180 4.155 4.340 -0.008 0.000 0.204 514 Q C 1.761 177.530 176.000 -0.385 0.000 0.975 514 Q CA 1.707 57.304 55.803 -0.343 0.000 0.866 514 Q CB -0.733 27.769 28.738 -0.394 0.000 0.915 514 Q HN 0.563 nan 8.270 nan 0.000 0.440 515 F N 1.451 121.257 119.950 -0.240 0.000 2.293 515 F HA 0.002 4.525 4.527 -0.007 0.000 0.297 515 F C 2.463 178.211 175.800 -0.087 0.000 1.089 515 F CA 1.007 58.924 58.000 -0.138 0.000 1.377 515 F CB -0.017 38.895 39.000 -0.147 0.000 1.051 515 F HN 0.066 nan 8.300 nan 0.000 0.511 516 Q N -0.220 119.537 119.800 -0.072 0.000 2.050 516 Q HA -0.179 4.156 4.340 -0.008 0.000 0.202 516 Q C 2.196 178.139 176.000 -0.095 0.000 0.980 516 Q CA 1.864 57.587 55.803 -0.134 0.000 0.840 516 Q CB -0.530 28.024 28.738 -0.308 0.000 0.898 516 Q HN 0.430 nan 8.270 nan 0.000 0.424 517 F N -0.783 119.025 119.950 -0.237 0.000 2.102 517 F HA -0.271 4.253 4.527 -0.005 0.000 0.298 517 F C 2.365 178.127 175.800 -0.063 0.000 1.105 517 F CA 0.769 58.507 58.000 -0.436 0.000 1.239 517 F CB -0.357 38.207 39.000 -0.727 0.000 0.991 517 F HN 0.111 nan 8.300 nan 0.000 0.474 518 Y N 1.507 121.815 120.300 0.012 0.000 2.097 518 Y HA -0.273 4.272 4.550 -0.008 0.000 0.282 518 Y C 2.525 178.461 175.900 0.059 0.000 1.152 518 Y CA 1.887 59.984 58.100 -0.007 0.000 1.136 518 Y CB -0.573 37.763 38.460 -0.206 0.000 0.975 518 Y HN -0.090 nan 8.280 nan 0.000 0.498 519 K N -0.527 119.929 120.400 0.093 0.000 2.020 519 K HA -0.202 4.114 4.320 -0.008 0.000 0.212 519 K C 2.257 178.911 176.600 0.091 0.000 1.050 519 K CA 2.054 58.359 56.287 0.030 0.000 0.929 519 K CB -0.371 32.196 32.500 0.111 0.000 0.714 519 K HN 0.312 nan 8.250 nan 0.000 0.443 520 S N 0.353 116.155 115.700 0.170 0.000 2.368 520 S HA -0.115 4.351 4.470 -0.008 0.000 0.224 520 S C 2.007 176.695 174.600 0.145 0.000 1.029 520 S CA 1.108 59.430 58.200 0.202 0.000 0.988 520 S CB -0.257 63.144 63.200 0.335 0.000 0.838 520 S HN 0.537 nan 8.310 nan 0.000 0.462 521 A N 0.567 123.505 122.820 0.197 0.000 1.902 521 A HA -0.160 4.155 4.320 -0.008 0.000 0.217 521 A C 2.395 179.987 177.584 0.013 0.000 1.181 521 A CA 1.606 53.715 52.037 0.119 0.000 0.623 521 A CB -1.263 17.894 19.000 0.261 0.000 0.818 521 A HN 0.625 nan 8.150 nan 0.000 0.443 522 c N -0.763 117.786 118.600 -0.085 0.000 2.446 522 c HA -0.035 4.531 4.570 -0.008 0.000 0.277 522 c C 2.554 176.662 174.090 0.030 0.000 1.275 522 c CA 0.829 57.096 56.329 -0.104 0.000 1.727 522 c CB -1.332 41.007 42.510 -0.285 0.000 2.010 522 c HN 0.625 nan 8.230 nan 0.000 0.486 523 I N 0.881 121.500 120.570 0.082 0.000 2.179 523 I HA -0.219 3.947 4.170 -0.008 0.000 0.242 523 I C 2.504 178.633 176.117 0.020 0.000 1.088 523 I CA 1.576 62.920 61.300 0.074 0.000 1.357 523 I CB -0.447 37.609 38.000 0.093 0.000 1.051 523 I HN 0.355 nan 8.210 nan 0.000 0.409 524 K N 0.860 121.264 120.400 0.005 0.000 2.103 524 K HA -0.135 4.181 4.320 -0.008 0.000 0.207 524 K C 1.960 178.550 176.600 -0.017 0.000 1.048 524 K CA 1.525 57.798 56.287 -0.023 0.000 0.930 524 K CB -0.237 32.225 32.500 -0.062 0.000 0.716 524 K HN 0.323 nan 8.250 nan 0.000 0.444 525 A N 0.360 123.177 122.820 -0.005 0.000 2.238 525 A HA 0.174 4.490 4.320 -0.008 0.000 0.208 525 A C 1.339 178.924 177.584 0.002 0.000 1.177 525 A CA 0.709 52.745 52.037 -0.002 0.000 0.804 525 A CB -0.388 18.616 19.000 0.007 0.000 0.823 525 A HN 0.401 nan 8.150 nan 0.000 0.482 526 G N -1.089 107.712 108.800 0.002 0.000 2.198 526 G HA2 -0.266 3.689 3.960 -0.008 0.000 0.260 526 G HA3 -0.266 3.689 3.960 -0.008 0.000 0.260 526 G C 0.642 175.550 174.900 0.013 0.000 1.025 526 G CA 0.622 45.722 45.100 -0.000 0.000 0.769 526 G HN 0.446 nan 8.290 nan 0.000 0.507 527 Q N -1.857 117.962 119.800 0.031 0.000 2.352 527 Q HA 0.211 4.546 4.340 -0.008 0.000 0.212 527 Q C -0.063 176.005 176.000 0.114 0.000 0.888 527 Q CA 0.233 56.065 55.803 0.049 0.000 0.934 527 Q CB 0.787 29.541 28.738 0.027 0.000 1.093 527 Q HN 0.733 nan 8.270 nan 0.000 0.523 528 Y N 0.761 121.032 120.300 -0.049 0.000 2.386 528 Y HA 0.408 4.953 4.550 -0.009 0.000 0.334 528 Y C -1.787 174.097 175.900 -0.026 0.000 1.002 528 Y CA -1.756 56.318 58.100 -0.044 0.000 1.068 528 Y CB 1.418 39.841 38.460 -0.063 0.000 1.203 528 Y HN -0.205 nan 8.280 nan 0.000 0.443 529 D N 8.363 128.445 120.400 -0.530 0.000 2.736 529 D HA 0.346 4.981 4.640 -0.008 0.000 0.243 529 D C -2.342 173.602 176.300 -0.594 0.000 1.304 529 D CA -2.195 51.473 54.000 -0.552 0.000 0.934 529 D CB 2.814 43.477 40.800 -0.228 0.000 1.382 529 D HN 0.337 nan 8.370 nan 0.000 0.571 530 P HA -0.014 nan 4.420 nan 0.000 0.228 530 P C 0.095 177.322 177.300 -0.122 0.000 1.151 530 P CA 0.723 63.639 63.100 -0.306 0.000 0.770 530 P CB 0.610 32.197 31.700 -0.188 0.000 0.786 531 D N -1.498 118.822 120.400 -0.133 0.000 2.398 531 D HA 0.047 4.682 4.640 -0.008 0.000 0.210 531 D C 0.213 176.479 176.300 -0.056 0.000 1.094 531 D CA 0.230 54.188 54.000 -0.070 0.000 0.839 531 D CB -0.116 40.646 40.800 -0.062 0.000 0.963 531 D HN 0.092 nan 8.370 nan 0.000 0.506 532 N N 1.196 119.854 118.700 -0.070 0.000 2.476 532 N HA 0.022 4.758 4.740 -0.008 0.000 0.257 532 N C 0.771 176.272 175.510 -0.015 0.000 0.970 532 N CA -0.324 52.701 53.050 -0.041 0.000 0.938 532 N CB 1.839 40.296 38.487 -0.050 0.000 1.144 532 N HN -0.268 nan 8.380 nan 0.000 0.500 533 V N 3.334 123.246 119.914 -0.004 0.000 2.720 533 V HA -0.095 4.020 4.120 -0.008 0.000 0.256 533 V C 1.270 177.373 176.094 0.014 0.000 1.082 533 V CA 1.713 64.018 62.300 0.009 0.000 1.101 533 V CB -0.152 31.674 31.823 0.005 0.000 0.693 533 V HN 0.583 nan 8.190 nan 0.000 0.479 534 E N -0.062 120.144 120.200 0.010 0.000 2.481 534 E HA 0.135 4.481 4.350 -0.008 0.000 0.195 534 E C 0.650 177.267 176.600 0.029 0.000 1.047 534 E CA 0.345 56.755 56.400 0.016 0.000 0.867 534 E CB 0.174 29.879 29.700 0.009 0.000 0.858 534 E HN 0.535 nan 8.360 nan 0.000 0.513 535 L N 2.642 123.886 121.223 0.036 0.000 2.637 535 L HA 0.281 4.616 4.340 -0.008 0.000 0.241 535 L C -2.412 174.547 176.870 0.150 0.000 1.398 535 L CA -1.597 53.285 54.840 0.069 0.000 0.895 535 L CB 1.031 43.113 42.059 0.039 0.000 1.183 535 L HN -0.213 nan 8.230 nan 0.000 0.497 536 P HA 0.059 nan 4.420 nan 0.000 0.278 536 P C 0.741 178.084 177.300 0.072 0.000 1.238 536 P CA -0.560 62.616 63.100 0.126 0.000 0.794 536 P CB 2.078 33.791 31.700 0.023 0.000 0.955 537 L N 2.752 123.914 121.223 -0.103 0.000 2.079 537 L HA -0.162 4.173 4.340 -0.008 0.000 0.210 537 L C 1.672 178.421 176.870 -0.200 0.000 1.081 537 L CA 2.056 56.646 54.840 -0.417 0.000 0.752 537 L CB -1.318 40.249 42.059 -0.820 0.000 0.896 537 L HN 0.414 nan 8.230 nan 0.000 0.433 538 D N -2.240 117.918 120.400 -0.405 0.000 2.378 538 D HA -0.150 4.486 4.640 -0.008 0.000 0.227 538 D C 0.806 177.071 176.300 -0.059 0.000 1.012 538 D CA 0.427 54.172 54.000 -0.424 0.000 0.905 538 D CB -0.378 40.038 40.800 -0.639 0.000 0.895 538 D HN 0.362 nan 8.370 nan 0.000 0.532 539 N N 0.017 118.718 118.700 0.003 0.000 2.291 539 N HA 0.037 4.772 4.740 -0.008 0.000 0.244 539 N C -1.070 174.496 175.510 0.094 0.000 1.216 539 N CA -0.507 52.579 53.050 0.060 0.000 0.879 539 N CB 0.286 38.801 38.487 0.047 0.000 1.167 539 N HN 0.182 nan 8.380 nan 0.000 0.515 540 c N 0.552 119.226 118.600 0.124 0.000 2.585 540 c HA 0.459 5.024 4.570 -0.008 0.000 0.406 540 c C -0.071 174.108 174.090 0.150 0.000 1.312 540 c CA -0.545 55.832 56.329 0.080 0.000 1.924 540 c CB -0.385 42.061 42.510 -0.108 0.000 2.578 540 c HN 0.378 nan 8.230 nan 0.000 0.580 541 D N 4.082 124.561 120.400 0.132 0.000 2.440 541 D HA 0.317 4.952 4.640 -0.008 0.000 0.239 541 D C 0.790 177.193 176.300 0.172 0.000 1.084 541 D CA -0.631 53.488 54.000 0.199 0.000 0.843 541 D CB 0.847 41.787 40.800 0.233 0.000 1.097 541 D HN 0.656 nan 8.370 nan 0.000 0.531 542 I N 1.301 122.001 120.570 0.216 0.000 3.684 542 I HA 0.241 4.406 4.170 -0.008 0.000 0.304 542 I C 0.450 176.631 176.117 0.107 0.000 1.278 542 I CA -0.572 60.825 61.300 0.161 0.000 1.272 542 I CB -0.460 37.644 38.000 0.172 0.000 1.029 542 I HN 0.204 nan 8.210 nan 0.000 0.458 543 Y N 3.445 123.675 120.300 -0.117 0.000 2.811 543 Y HA 0.250 4.797 4.550 -0.005 0.000 0.334 543 Y C 1.547 177.283 175.900 -0.272 0.000 1.247 543 Y CA 1.259 59.003 58.100 -0.592 0.000 1.526 543 Y CB 0.453 38.544 38.460 -0.615 0.000 1.284 543 Y HN 0.443 nan 8.280 nan 0.000 0.586 544 G N 3.260 111.525 108.800 -0.892 0.000 2.168 544 G HA2 -0.314 3.641 3.960 -0.008 0.000 0.263 544 G HA3 -0.314 3.641 3.960 -0.008 0.000 0.263 544 G C 0.208 174.963 174.900 -0.241 0.000 0.977 544 G CA 0.413 45.192 45.100 -0.536 0.000 0.659 544 G HN 0.963 nan 8.290 nan 0.000 0.533 545 S N 0.329 115.924 115.700 -0.174 0.000 2.399 545 S HA 0.684 5.150 4.470 -0.008 0.000 0.301 545 S C 1.598 176.159 174.600 -0.065 0.000 1.093 545 S CA 0.644 58.797 58.200 -0.079 0.000 1.077 545 S CB 0.841 64.027 63.200 -0.023 0.000 0.980 545 S HN 1.429 nan 8.310 nan 0.000 0.494 546 A N 5.224 128.006 122.820 -0.064 0.000 1.969 546 A HA 0.181 4.496 4.320 -0.008 0.000 0.218 546 A C 2.294 179.860 177.584 -0.030 0.000 1.169 546 A CA 1.458 53.466 52.037 -0.049 0.000 0.635 546 A CB -0.968 18.000 19.000 -0.053 0.000 0.810 546 A HN 1.073 nan 8.150 nan 0.000 0.445 547 A N 0.029 122.830 122.820 -0.033 0.000 1.898 547 A HA 0.184 4.499 4.320 -0.008 0.000 0.216 547 A C 2.493 180.046 177.584 -0.051 0.000 1.181 547 A CA 1.944 53.956 52.037 -0.042 0.000 0.620 547 A CB -0.972 18.003 19.000 -0.041 0.000 0.819 547 A HN 0.985 nan 8.150 nan 0.000 0.442 548 A N -0.439 122.375 122.820 -0.010 0.000 1.902 548 A HA 0.129 4.444 4.320 -0.008 0.000 0.217 548 A C 2.417 180.096 177.584 0.157 0.000 1.181 548 A CA 1.899 53.963 52.037 0.046 0.000 0.623 548 A CB -1.408 17.672 19.000 0.133 0.000 0.818 548 A HN 0.743 nan 8.150 nan 0.000 0.443 549 G N -0.464 108.416 108.800 0.133 0.000 2.442 549 G HA2 -0.016 3.939 3.960 -0.008 0.000 0.219 549 G HA3 -0.016 3.939 3.960 -0.008 0.000 0.219 549 G C 1.726 176.714 174.900 0.148 0.000 1.141 549 G CA 1.492 46.691 45.100 0.164 0.000 0.763 549 G HN 0.795 nan 8.290 nan 0.000 0.554 550 A N 1.310 124.158 122.820 0.046 0.000 1.883 550 A HA 0.200 4.515 4.320 -0.008 0.000 0.217 550 A C 2.856 180.429 177.584 -0.019 0.000 1.186 550 A CA 2.427 54.483 52.037 0.032 0.000 0.624 550 A CB -0.925 18.064 19.000 -0.018 0.000 0.822 550 A HN 0.842 nan 8.150 nan 0.000 0.444 551 A N -1.168 121.522 122.820 -0.217 0.000 1.883 551 A HA -0.058 4.257 4.320 -0.008 0.000 0.217 551 A C 1.980 179.322 177.584 -0.404 0.000 1.186 551 A CA 1.669 53.352 52.037 -0.591 0.000 0.624 551 A CB -0.807 17.385 19.000 -1.346 0.000 0.822 551 A HN 0.464 nan 8.150 nan 0.000 0.444 552 F N -0.684 119.204 119.950 -0.104 0.000 2.095 552 F HA -0.181 4.339 4.527 -0.010 0.000 0.298 552 F C 2.353 178.169 175.800 0.027 0.000 1.104 552 F CA 2.043 60.095 58.000 0.087 0.000 1.232 552 F CB -0.804 38.240 39.000 0.073 0.000 0.987 552 F HN 0.542 nan 8.300 nan 0.000 0.475 553 H N 0.255 119.415 119.070 0.151 0.000 2.319 553 H HA -0.151 4.404 4.556 -0.002 0.000 0.299 553 H C 2.048 177.416 175.328 0.067 0.000 1.092 553 H CA 2.191 58.288 56.048 0.081 0.000 1.302 553 H CB -0.469 29.320 29.762 0.046 0.000 1.373 553 H HN 0.019 nan 8.280 nan 0.000 0.497 554 N N -0.038 118.595 118.700 -0.112 0.000 2.149 554 N HA -0.179 4.556 4.740 -0.008 0.000 0.188 554 N C 2.107 177.577 175.510 -0.068 0.000 1.019 554 N CA 1.651 54.617 53.050 -0.140 0.000 0.857 554 N CB -0.355 38.100 38.487 -0.053 0.000 0.997 554 N HN 0.530 nan 8.380 nan 0.000 0.426 555 M N 0.080 119.687 119.600 0.011 0.000 2.191 555 M HA 0.044 4.519 4.480 -0.008 0.000 0.262 555 M C 1.672 178.012 176.300 0.068 0.000 1.083 555 M CA 0.981 56.332 55.300 0.084 0.000 1.154 555 M CB 0.061 32.752 32.600 0.151 0.000 1.344 555 M HN -0.022 nan 8.290 nan 0.000 0.431 556 L N 0.172 121.387 121.223 -0.012 0.000 2.141 556 L HA -0.139 4.197 4.340 -0.008 0.000 0.209 556 L C 2.619 179.626 176.870 0.228 0.000 1.094 556 L CA 1.373 56.188 54.840 -0.042 0.000 0.763 556 L CB -0.977 40.911 42.059 -0.285 0.000 0.908 556 L HN 0.480 nan 8.230 nan 0.000 0.437 557 S N -0.508 115.252 115.700 0.100 0.000 2.442 557 S HA -0.154 4.311 4.470 -0.008 0.000 0.236 557 S C 1.887 176.632 174.600 0.242 0.000 1.007 557 S CA 0.912 59.231 58.200 0.198 0.000 0.965 557 S CB -0.353 62.810 63.200 -0.061 0.000 0.773 557 S HN 0.381 nan 8.310 nan 0.000 0.504 558 M N 1.396 121.087 119.600 0.151 0.000 2.319 558 M HA 0.158 4.634 4.480 -0.008 0.000 0.265 558 M C 1.963 178.290 176.300 0.044 0.000 1.068 558 M CA 0.717 56.061 55.300 0.072 0.000 1.118 558 M CB -1.071 31.547 32.600 0.031 0.000 1.395 558 M HN 0.609 nan 8.290 nan 0.000 0.435 559 G N 0.864 109.797 108.800 0.221 0.000 2.634 559 G HA2 -0.368 3.587 3.960 -0.008 0.000 0.309 559 G HA3 -0.368 3.587 3.960 -0.008 0.000 0.309 559 G C 0.472 175.307 174.900 -0.109 0.000 1.265 559 G CA 0.350 45.495 45.100 0.076 0.000 0.998 559 G HN 0.637 nan 8.290 nan 0.000 0.551 560 A N 0.013 122.679 122.820 -0.257 0.000 2.507 560 A HA 0.609 4.924 4.320 -0.008 0.000 0.270 560 A C 2.141 179.395 177.584 -0.549 0.000 1.318 560 A CA 1.446 53.318 52.037 -0.275 0.000 0.924 560 A CB -0.395 18.488 19.000 -0.195 0.000 1.061 560 A HN 1.968 nan 8.150 nan 0.000 0.516 561 S N -0.280 114.945 115.700 -0.791 0.000 2.442 561 S HA 0.016 4.481 4.470 -0.008 0.000 0.236 561 S C 0.835 174.988 174.600 -0.745 0.000 1.007 561 S CA 0.705 58.051 58.200 -1.424 0.000 0.965 561 S CB 0.034 62.754 63.200 -0.801 0.000 0.773 561 S HN 0.324 nan 8.310 nan 0.000 0.504 562 K N 1.175 121.334 120.400 -0.401 0.000 2.443 562 K HA 0.554 4.870 4.320 -0.008 0.000 0.251 562 K C -3.302 173.193 176.600 -0.175 0.000 0.972 562 K CA -2.518 53.633 56.287 -0.227 0.000 0.833 562 K CB 1.171 33.583 32.500 -0.147 0.000 1.317 562 K HN -0.065 nan 8.250 nan 0.000 0.441 563 P HA -0.033 nan 4.420 nan 0.000 0.267 563 P C 1.079 178.275 177.300 -0.173 0.000 1.200 563 P CA -0.112 62.895 63.100 -0.156 0.000 0.772 563 P CB 0.207 31.793 31.700 -0.190 0.000 0.855 564 W N 3.766 124.972 121.300 -0.158 0.000 2.331 564 W HA -0.098 4.556 4.660 -0.009 0.000 0.291 564 W C -1.737 174.777 176.519 -0.007 0.000 1.214 564 W CA 1.116 58.312 57.345 -0.249 0.000 1.228 564 W CB -2.963 26.273 29.460 -0.373 0.000 1.135 564 W HN 0.319 nan 8.180 nan 0.000 0.537 565 P HA -0.130 nan 4.420 nan 0.000 0.220 565 P C 1.230 178.522 177.300 -0.013 0.000 1.148 565 P CA 2.143 65.063 63.100 -0.300 0.000 0.803 565 P CB -0.196 31.182 31.700 -0.537 0.000 0.782 566 D N -0.803 119.568 120.400 -0.048 0.000 2.183 566 D HA -0.060 4.575 4.640 -0.008 0.000 0.203 566 D C 1.930 178.281 176.300 0.086 0.000 0.969 566 D CA 1.218 55.222 54.000 0.008 0.000 0.842 566 D CB -0.436 40.342 40.800 -0.037 0.000 0.957 566 D HN 0.094 nan 8.370 nan 0.000 0.484 567 A N 0.834 123.728 122.820 0.124 0.000 1.929 567 A HA -0.082 4.233 4.320 -0.008 0.000 0.216 567 A C 2.111 179.945 177.584 0.417 0.000 1.176 567 A CA 0.610 52.774 52.037 0.212 0.000 0.628 567 A CB -0.531 18.538 19.000 0.115 0.000 0.816 567 A HN 0.201 nan 8.150 nan 0.000 0.444 568 L N 0.281 121.844 121.223 0.567 0.000 2.046 568 L HA -0.132 4.203 4.340 -0.008 0.000 0.208 568 L C 2.170 179.271 176.870 0.386 0.000 1.077 568 L CA 2.621 57.816 54.840 0.591 0.000 0.747 568 L CB -0.699 41.740 42.059 0.632 0.000 0.896 568 L HN 0.594 nan 8.230 nan 0.000 0.432 569 E N -0.708 119.649 120.200 0.262 0.000 2.110 569 E HA -0.228 4.117 4.350 -0.008 0.000 0.193 569 E C 2.095 178.789 176.600 0.156 0.000 0.988 569 E CA 1.083 57.587 56.400 0.174 0.000 0.804 569 E CB -0.164 29.599 29.700 0.104 0.000 0.745 569 E HN 0.619 nan 8.360 nan 0.000 0.458 570 A N 0.101 123.016 122.820 0.158 0.000 2.019 570 A HA -0.166 4.149 4.320 -0.008 0.000 0.219 570 A C 1.882 179.533 177.584 0.111 0.000 1.164 570 A CA 1.027 53.130 52.037 0.110 0.000 0.644 570 A CB -0.637 18.419 19.000 0.094 0.000 0.805 570 A HN 0.464 nan 8.150 nan 0.000 0.449 571 F N 1.297 121.270 119.950 0.040 0.000 2.094 571 F HA -0.060 4.463 4.527 -0.007 0.000 0.291 571 F C 1.673 177.475 175.800 0.005 0.000 1.109 571 F CA 1.808 59.792 58.000 -0.026 0.000 1.221 571 F CB 0.167 39.140 39.000 -0.045 0.000 1.014 571 F HN 0.464 nan 8.300 nan 0.000 0.473 572 N N -1.342 117.536 118.700 0.297 0.000 2.116 572 N HA 0.205 4.940 4.740 -0.008 0.000 0.230 572 N C 0.899 176.494 175.510 0.142 0.000 1.326 572 N CA 0.618 53.788 53.050 0.200 0.000 0.867 572 N CB 0.449 39.137 38.487 0.334 0.000 1.174 572 N HN 0.350 nan 8.380 nan 0.000 0.506 573 G N -0.075 108.805 108.800 0.133 0.000 2.179 573 G HA2 -0.297 3.659 3.960 -0.008 0.000 0.260 573 G HA3 -0.297 3.659 3.960 -0.008 0.000 0.260 573 G C -0.408 174.556 174.900 0.107 0.000 0.977 573 G CA 0.455 45.614 45.100 0.099 0.000 0.641 573 G HN 0.510 nan 8.290 nan 0.000 0.533 574 E N -0.813 119.473 120.200 0.143 0.000 2.250 574 E HA 0.681 5.026 4.350 -0.008 0.000 0.269 574 E C 0.887 177.579 176.600 0.154 0.000 1.018 574 E CA -0.856 55.625 56.400 0.135 0.000 0.873 574 E CB 0.952 30.735 29.700 0.139 0.000 1.134 574 E HN 0.278 nan 8.360 nan 0.000 0.403 575 R N 0.692 121.267 120.500 0.126 0.000 2.531 575 R HA 0.336 4.671 4.340 -0.008 0.000 0.316 575 R C -0.126 176.244 176.300 0.117 0.000 0.955 575 R CA -0.045 56.112 56.100 0.095 0.000 1.120 575 R CB 0.588 30.900 30.300 0.020 0.000 1.361 575 R HN 0.408 nan 8.270 nan 0.000 0.534 576 I N 1.360 122.043 120.570 0.189 0.000 2.465 576 I HA 0.282 4.447 4.170 -0.008 0.000 0.291 576 I C -0.193 176.099 176.117 0.291 0.000 1.014 576 I CA -0.874 60.565 61.300 0.231 0.000 1.093 576 I CB 2.148 40.232 38.000 0.140 0.000 1.267 576 I HN -0.059 nan 8.210 nan 0.000 0.431 577 M N 5.930 125.776 119.600 0.409 0.000 2.268 577 M HA 0.198 4.673 4.480 -0.008 0.000 0.349 577 M C -0.359 175.993 176.300 0.087 0.000 1.485 577 M CA 0.857 56.279 55.300 0.203 0.000 1.094 577 M CB 0.429 33.118 32.600 0.147 0.000 1.843 577 M HN 0.644 nan 8.290 nan 0.000 0.460 578 S N 2.747 118.462 115.700 0.026 0.000 2.540 578 S HA 0.650 5.115 4.470 -0.008 0.000 0.275 578 S C 0.482 175.080 174.600 -0.004 0.000 1.123 578 S CA -0.378 57.834 58.200 0.020 0.000 0.907 578 S CB 1.660 64.885 63.200 0.042 0.000 1.081 578 S HN 0.887 nan 8.310 nan 0.000 0.476 579 G N 2.579 111.378 108.800 -0.001 0.000 2.985 579 G HA2 0.035 3.990 3.960 -0.008 0.000 0.209 579 G HA3 0.035 3.990 3.960 -0.008 0.000 0.209 579 G C 1.083 175.986 174.900 0.005 0.000 1.165 579 G CA 0.076 45.173 45.100 -0.006 0.000 0.776 579 G HN 0.725 nan 8.290 nan 0.000 0.541 580 K N 0.638 121.052 120.400 0.022 0.000 2.032 580 K HA -0.064 4.251 4.320 -0.008 0.000 0.209 580 K C 2.665 179.293 176.600 0.047 0.000 1.048 580 K CA 1.404 57.714 56.287 0.038 0.000 0.927 580 K CB -0.203 32.327 32.500 0.050 0.000 0.712 580 K HN 0.193 nan 8.250 nan 0.000 0.441 581 A N 1.342 124.193 122.820 0.052 0.000 1.898 581 A HA -0.118 4.197 4.320 -0.008 0.000 0.216 581 A C 2.124 179.737 177.584 0.048 0.000 1.181 581 A CA 1.295 53.384 52.037 0.086 0.000 0.620 581 A CB -0.521 18.549 19.000 0.117 0.000 0.819 581 A HN 0.497 nan 8.150 nan 0.000 0.442 582 I N -0.557 119.971 120.570 -0.071 0.000 2.286 582 I HA -0.217 3.948 4.170 -0.008 0.000 0.248 582 I C 2.611 178.672 176.117 -0.092 0.000 1.115 582 I CA 1.272 62.329 61.300 -0.405 0.000 1.392 582 I CB -0.116 37.572 38.000 -0.520 0.000 1.065 582 I HN 0.328 nan 8.210 nan 0.000 0.418 583 A N 0.082 122.903 122.820 0.002 0.000 1.930 583 A HA -0.277 4.038 4.320 -0.008 0.000 0.217 583 A C 2.250 179.891 177.584 0.096 0.000 1.175 583 A CA 1.867 53.947 52.037 0.072 0.000 0.627 583 A CB -0.698 18.330 19.000 0.046 0.000 0.815 583 A HN 0.604 nan 8.150 nan 0.000 0.443 584 E N -1.429 118.815 120.200 0.072 0.000 2.058 584 E HA -0.261 4.084 4.350 -0.008 0.000 0.194 584 E C 1.827 178.452 176.600 0.043 0.000 0.997 584 E CA 1.556 58.002 56.400 0.076 0.000 0.801 584 E CB -0.364 29.391 29.700 0.092 0.000 0.746 584 E HN 0.710 nan 8.360 nan 0.000 0.450 585 Y N -0.563 119.648 120.300 -0.148 0.000 2.165 585 Y HA -0.241 4.304 4.550 -0.008 0.000 0.286 585 Y C 1.424 177.093 175.900 -0.386 0.000 1.155 585 Y CA 1.859 59.769 58.100 -0.317 0.000 1.164 585 Y CB -0.059 38.114 38.460 -0.479 0.000 0.978 585 Y HN 0.074 nan 8.280 nan 0.000 0.513 586 F N -0.171 119.876 119.950 0.161 0.000 2.727 586 F HA 0.123 4.646 4.527 -0.008 0.000 0.302 586 F C 1.950 177.794 175.800 0.073 0.000 1.097 586 F CA 0.435 58.507 58.000 0.121 0.000 1.330 586 F CB -0.266 38.781 39.000 0.078 0.000 1.084 586 F HN 0.047 nan 8.300 nan 0.000 0.578 587 E N 1.850 122.153 120.200 0.171 0.000 2.097 587 E HA -0.186 4.159 4.350 -0.008 0.000 0.196 587 E C -0.727 175.953 176.600 0.133 0.000 1.000 587 E CA 1.810 58.290 56.400 0.133 0.000 0.804 587 E CB -1.215 28.540 29.700 0.092 0.000 0.740 587 E HN 0.164 nan 8.360 nan 0.000 0.454 588 P HA -0.094 nan 4.420 nan 0.000 0.218 588 P C 1.406 178.823 177.300 0.195 0.000 1.149 588 P CA 0.810 63.982 63.100 0.119 0.000 0.817 588 P CB -0.047 31.687 31.700 0.058 0.000 0.785 589 L N -0.236 121.126 121.223 0.231 0.000 2.056 589 L HA -0.038 4.298 4.340 -0.008 0.000 0.207 589 L C 2.528 179.592 176.870 0.323 0.000 1.078 589 L CA 1.702 56.733 54.840 0.318 0.000 0.749 589 L CB -0.814 41.474 42.059 0.383 0.000 0.901 589 L HN -0.248 nan 8.230 nan 0.000 0.433 590 R N -0.841 119.805 120.500 0.244 0.000 2.083 590 R HA -0.155 4.180 4.340 -0.008 0.000 0.237 590 R C 2.040 178.428 176.300 0.147 0.000 1.137 590 R CA 2.153 58.357 56.100 0.174 0.000 0.951 590 R CB -0.401 29.978 30.300 0.133 0.000 0.851 590 R HN 0.358 nan 8.270 nan 0.000 0.434 591 V N -0.202 119.805 119.914 0.155 0.000 2.295 591 V HA -0.259 3.856 4.120 -0.008 0.000 0.246 591 V C 1.958 178.134 176.094 0.136 0.000 1.049 591 V CA 2.041 64.414 62.300 0.122 0.000 1.024 591 V CB -0.747 31.148 31.823 0.121 0.000 0.648 591 V HN 0.565 nan 8.190 nan 0.000 0.447 592 W N 0.257 121.583 121.300 0.043 0.000 2.358 592 W HA -0.201 4.454 4.660 -0.008 0.000 0.303 592 W C 2.158 178.667 176.519 -0.017 0.000 1.208 592 W CA 1.819 59.182 57.345 0.031 0.000 1.274 592 W CB -0.232 29.266 29.460 0.063 0.000 1.138 592 W HN 0.208 nan 8.180 nan 0.000 0.515 593 L N 1.139 122.443 121.223 0.135 0.000 2.072 593 L HA -0.081 4.255 4.340 -0.008 0.000 0.205 593 L C 2.239 178.984 176.870 -0.208 0.000 1.079 593 L CA 2.127 56.908 54.840 -0.099 0.000 0.752 593 L CB -1.113 41.061 42.059 0.192 0.000 0.906 593 L HN 0.049 nan 8.230 nan 0.000 0.436 594 E N -0.442 119.703 120.200 -0.092 0.000 2.085 594 E HA -0.250 4.095 4.350 -0.008 0.000 0.194 594 E C 2.122 178.624 176.600 -0.165 0.000 0.994 594 E CA 1.257 57.601 56.400 -0.093 0.000 0.801 594 E CB -0.268 29.408 29.700 -0.040 0.000 0.743 594 E HN 0.645 nan 8.360 nan 0.000 0.453 595 A N 1.080 123.766 122.820 -0.222 0.000 1.930 595 A HA -0.206 4.110 4.320 -0.008 0.000 0.217 595 A C 2.027 179.391 177.584 -0.367 0.000 1.175 595 A CA 1.562 53.447 52.037 -0.254 0.000 0.627 595 A CB -0.298 18.563 19.000 -0.231 0.000 0.815 595 A HN 0.121 nan 8.150 nan 0.000 0.443 596 E N 0.616 120.443 120.200 -0.622 0.000 2.072 596 E HA -0.144 4.202 4.350 -0.008 0.000 0.191 596 E C 1.765 178.136 176.600 -0.383 0.000 0.985 596 E CA 1.459 57.448 56.400 -0.686 0.000 0.801 596 E CB -0.214 28.678 29.700 -1.347 0.000 0.750 596 E HN 0.533 nan 8.360 nan 0.000 0.452 597 N N 0.063 118.585 118.700 -0.296 0.000 2.166 597 N HA -0.108 4.627 4.740 -0.008 0.000 0.186 597 N C 1.839 177.245 175.510 -0.173 0.000 1.019 597 N CA 1.103 54.049 53.050 -0.174 0.000 0.856 597 N CB -0.156 38.279 38.487 -0.087 0.000 0.993 597 N HN 0.284 nan 8.380 nan 0.000 0.426 598 I N 1.140 121.611 120.570 -0.164 0.000 2.202 598 I HA -0.221 3.944 4.170 -0.008 0.000 0.242 598 I C 2.100 178.138 176.117 -0.133 0.000 1.091 598 I CA 1.046 62.269 61.300 -0.128 0.000 1.368 598 I CB -0.081 37.854 38.000 -0.107 0.000 1.058 598 I HN 0.049 nan 8.210 nan 0.000 0.410 599 K N 0.544 120.849 120.400 -0.159 0.000 2.103 599 K HA -0.135 4.180 4.320 -0.008 0.000 0.207 599 K C 1.330 177.848 176.600 -0.137 0.000 1.048 599 K CA 1.247 57.453 56.287 -0.135 0.000 0.930 599 K CB -0.117 32.294 32.500 -0.147 0.000 0.716 599 K HN 0.338 nan 8.250 nan 0.000 0.444 600 N N 0.963 119.541 118.700 -0.203 0.000 2.268 600 N HA -0.045 4.690 4.740 -0.008 0.000 0.204 600 N C -0.363 174.979 175.510 -0.280 0.000 1.124 600 N CA 0.081 52.965 53.050 -0.278 0.000 0.838 600 N CB 0.389 38.568 38.487 -0.513 0.000 0.994 600 N HN 0.118 nan 8.380 nan 0.000 0.489 601 N N 0.860 119.452 118.700 -0.179 0.000 2.714 601 N HA -0.170 4.565 4.740 -0.008 0.000 0.252 601 N C -1.068 174.369 175.510 -0.121 0.000 1.014 601 N CA 0.205 53.185 53.050 -0.116 0.000 0.735 601 N CB -1.439 37.006 38.487 -0.070 0.000 0.924 601 N HN -0.074 nan 8.380 nan 0.000 0.540 602 V N 1.725 121.536 119.914 -0.171 0.000 2.508 602 V HA 0.049 4.165 4.120 -0.008 0.000 0.281 602 V C 0.988 177.088 176.094 0.010 0.000 1.041 602 V CA -0.379 61.839 62.300 -0.136 0.000 1.016 602 V CB 0.743 32.459 31.823 -0.178 0.000 0.984 602 V HN 0.461 nan 8.190 nan 0.000 0.478 603 H N 5.747 124.818 119.070 0.001 0.000 2.803 603 H HA 0.329 4.880 4.556 -0.008 0.000 0.330 603 H C -0.441 174.939 175.328 0.087 0.000 1.057 603 H CA -0.210 55.862 56.048 0.039 0.000 1.458 603 H CB 0.421 30.218 29.762 0.058 0.000 1.470 603 H HN 0.407 nan 8.280 nan 0.000 0.560 604 I N 4.748 125.058 120.570 -0.434 0.000 2.404 604 I HA 0.464 4.629 4.170 -0.008 0.000 0.293 604 I C 1.005 176.900 176.117 -0.370 0.000 0.992 604 I CA 0.331 61.493 61.300 -0.229 0.000 1.149 604 I CB 0.730 38.645 38.000 -0.143 0.000 1.315 604 I HN 0.964 nan 8.210 nan 0.000 0.446 605 G N 5.620 114.365 108.800 -0.092 0.000 2.661 605 G HA2 -0.028 3.927 3.960 -0.008 0.000 0.685 605 G HA3 -0.028 3.927 3.960 -0.008 0.000 0.685 605 G C -1.696 173.294 174.900 0.151 0.000 1.298 605 G CA -0.493 44.463 45.100 -0.240 0.000 0.855 605 G HN 0.926 nan 8.290 nan 0.000 0.560 606 W N -1.009 120.316 121.300 0.042 0.000 3.217 606 W HA 0.736 5.391 4.660 -0.008 0.000 0.323 606 W C 0.420 176.983 176.519 0.073 0.000 1.216 606 W CA -0.753 56.655 57.345 0.104 0.000 1.194 606 W CB 0.389 29.905 29.460 0.095 0.000 1.397 606 W HN 1.154 nan 8.180 nan 0.000 0.537 607 T N -0.655 114.071 114.554 0.287 0.000 2.813 607 T HA 0.367 4.713 4.350 -0.008 0.000 0.297 607 T C 0.315 175.162 174.700 0.245 0.000 1.036 607 T CA -0.263 61.943 62.100 0.175 0.000 1.044 607 T CB 0.677 69.616 68.868 0.119 0.000 0.993 607 T HN 0.554 nan 8.240 nan 0.000 0.535 608 T N 2.464 117.112 114.554 0.157 0.000 2.916 608 T HA 0.250 4.596 4.350 -0.008 0.000 0.303 608 T C 0.690 175.466 174.700 0.126 0.000 1.025 608 T CA -0.306 61.891 62.100 0.161 0.000 1.142 608 T CB 0.759 69.689 68.868 0.103 0.000 0.947 608 T HN 0.800 nan 8.240 nan 0.000 0.544 609 S N 2.291 118.064 115.700 0.121 0.000 2.568 609 S HA 0.046 4.512 4.470 -0.008 0.000 0.282 609 S C 0.971 175.588 174.600 0.028 0.000 1.338 609 S CA -0.600 57.632 58.200 0.052 0.000 1.045 609 S CB 0.108 63.323 63.200 0.025 0.000 0.873 609 S HN 0.635 nan 8.310 nan 0.000 0.516 610 N N 2.858 121.552 118.700 -0.010 0.000 2.234 610 N HA 0.143 4.878 4.740 -0.008 0.000 0.227 610 N C 0.120 175.599 175.510 -0.051 0.000 1.151 610 N CA -0.259 52.782 53.050 -0.016 0.000 0.865 610 N CB 0.533 39.011 38.487 -0.016 0.000 1.066 610 N HN 0.483 nan 8.380 nan 0.000 0.515 611 K N 0.170 120.514 120.400 -0.093 0.000 2.404 611 K HA 0.133 4.449 4.320 -0.008 0.000 0.194 611 K C 0.033 176.542 176.600 -0.152 0.000 1.023 611 K CA 0.002 56.185 56.287 -0.174 0.000 1.094 611 K CB 0.058 32.373 32.500 -0.309 0.000 0.841 611 K HN 0.037 nan 8.250 nan 0.000 0.523 612 c N 1.671 120.249 118.600 -0.038 0.000 2.407 612 c HA 0.374 4.939 4.570 -0.008 0.000 0.328 612 c C -0.214 173.924 174.090 0.080 0.000 1.137 612 c CA -0.744 55.618 56.329 0.054 0.000 1.390 612 c CB -0.009 42.615 42.510 0.189 0.000 1.989 612 c HN 0.003 nan 8.230 nan 0.000 0.432 613 V N 6.734 126.690 119.914 0.069 0.000 2.461 613 V HA 0.312 4.427 4.120 -0.008 0.000 0.275 613 V C 0.796 176.945 176.094 0.092 0.000 1.047 613 V CA 0.380 62.720 62.300 0.066 0.000 0.955 613 V CB 1.538 33.388 31.823 0.044 0.000 0.988 613 V HN 1.003 nan 8.190 nan 0.000 0.471 614 S N 0.000 115.753 115.700 0.088 0.000 2.498 614 S HA 0.000 4.465 4.470 -0.008 0.000 0.327 614 S CA 0.000 58.256 58.200 0.094 0.000 1.107 614 S CB 0.000 63.255 63.200 0.092 0.000 0.593 614 S HN 0.000 nan 8.310 nan 0.000 0.517