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 3gh1_1_D DATA FIRST_RESID 2 DATA SEQUENCE SLIIQVSPAG SXDLLSQLEV ERLKKTXXSD LYQLYRNCSL AVLNSGSHTD DATA SEQUENCE NSKELLDKYK NFDITVXRRE RGIKLELANP PEHAFVDGQI IKGIQEHLFS DATA SEQUENCE VLRDIVYVNX HLAXXXXXXX TNATHITNLV FGILRNAGAL IPGATPNLVV DATA SEQUENCE CWGGHSINEV EYQYTREVGH ELGLRELNIC TGCGPGAXEG PXKGAAVGHA DATA SEQUENCE KQRYSEYRYL GLTEPSIIAA EPPNPIVNEL VIXPDIEKRL EAFVRXAHGI DATA SEQUENCE IIFPGGPGTA EELLYILGIX XHPENADQPX PIVLTGPKQS EAYFRSLDKF DATA SEQUENCE ITDTLGEAAR KHYSIAIDNP AEAARIXSNA XPLVRQHRKD KEDAYSFNWS DATA SEQUENCE LKIEPEFQLP FEPNHESXAN LDLHLNQRPE VLAANLRRAF SGVVAGNVKA DATA SEQUENCE EGIREIERHG PFEXHGDPVL XKKXDQLLND FVAQNRXKLP GGSAYEPCYK DATA SEQUENCE IVT 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.607 174.600 0.011 0.000 1.055 2 S CA 0.000 58.205 58.200 0.009 0.000 1.107 2 S CB 0.000 63.200 63.200 -0.001 0.000 0.593 3 L N 2.926 124.160 121.223 0.018 0.000 2.515 3 L HA 0.444 3.794 4.340 -1.649 0.000 0.281 3 L C -0.880 176.007 176.870 0.027 0.000 1.131 3 L CA 0.456 55.306 54.840 0.016 0.000 0.905 3 L CB -0.712 41.352 42.059 0.009 0.000 1.246 3 L HN 0.583 nan 8.230 nan 0.000 0.463 4 I N 6.245 126.829 120.570 0.023 0.000 2.352 4 I HA 0.206 3.386 4.170 -1.649 0.000 0.290 4 I C -0.283 175.865 176.117 0.052 0.000 1.036 4 I CA -0.115 61.202 61.300 0.029 0.000 1.336 4 I CB 0.659 38.669 38.000 0.017 0.000 1.407 4 I HN 0.392 nan 8.210 nan 0.000 0.497 5 I N 6.625 127.245 120.570 0.083 0.000 2.355 5 I HA 0.231 3.412 4.170 -1.649 0.000 0.288 5 I C 0.070 176.247 176.117 0.101 0.000 0.999 5 I CA -0.834 60.539 61.300 0.122 0.000 1.163 5 I CB 1.306 39.441 38.000 0.225 0.000 1.316 5 I HN 0.475 nan 8.210 nan 0.000 0.454 6 Q N 5.166 125.020 119.800 0.090 0.000 2.304 6 Q HA 0.355 3.706 4.340 -1.649 0.000 0.260 6 Q C -0.538 175.523 176.000 0.102 0.000 0.965 6 Q CA -0.287 55.567 55.803 0.086 0.000 0.898 6 Q CB 2.116 30.899 28.738 0.075 0.000 1.196 6 Q HN 0.334 nan 8.270 nan 0.000 0.402 7 V N 2.156 122.139 119.914 0.115 0.000 2.384 7 V HA 0.239 3.370 4.120 -1.649 0.000 0.287 7 V C 0.274 176.513 176.094 0.243 0.000 1.020 7 V CA -0.652 61.741 62.300 0.155 0.000 0.850 7 V CB 1.710 33.600 31.823 0.113 0.000 0.987 7 V HN 0.692 nan 8.190 nan 0.000 0.436 8 S N 5.976 121.793 115.700 0.196 0.000 2.593 8 S HA 0.333 3.814 4.470 -1.649 0.000 0.269 8 S C -2.307 172.366 174.600 0.122 0.000 1.334 8 S CA -0.701 57.584 58.200 0.142 0.000 1.015 8 S CB 0.577 63.813 63.200 0.060 0.000 0.912 8 S HN 0.620 nan 8.310 nan 0.000 0.541 9 P HA 0.166 nan 4.420 nan 0.000 0.263 9 P C -1.386 175.570 177.300 -0.574 0.000 1.175 9 P CA 0.302 63.037 63.100 -0.609 0.000 0.761 9 P CB 0.235 31.731 31.700 -0.341 0.000 0.794 10 A N 2.971 125.229 122.820 -0.936 0.000 2.429 10 A HA 0.731 4.061 4.320 -1.649 0.000 0.289 10 A C 0.272 177.729 177.584 -0.212 0.000 1.043 10 A CA 0.176 52.022 52.037 -0.319 0.000 0.722 10 A CB 1.032 20.038 19.000 0.009 0.000 1.243 10 A HN 0.818 nan 8.150 nan 0.000 0.415 11 G N 1.101 109.819 108.800 -0.138 0.000 2.475 11 G HA2 0.154 3.125 3.960 -1.649 0.000 0.223 11 G HA3 0.154 3.125 3.960 -1.649 0.000 0.223 11 G C 0.244 175.077 174.900 -0.112 0.000 1.201 11 G CA -0.026 45.023 45.100 -0.085 0.000 0.962 11 G HN 1.601 nan 8.290 nan 0.000 0.586 15 L N 0.785 122.011 121.223 0.004 0.000 2.461 15 L HA 0.329 3.680 4.340 -1.649 0.000 0.272 15 L C 0.137 177.022 176.870 0.025 0.000 1.197 15 L CA -0.021 54.826 54.840 0.013 0.000 0.836 15 L CB 0.161 42.224 42.059 0.007 0.000 1.105 15 L HN 0.146 nan 8.230 nan 0.000 0.477 16 L N 1.139 122.379 121.223 0.030 0.000 2.319 16 L HA 0.499 3.850 4.340 -1.649 0.000 0.267 16 L C 0.209 177.091 176.870 0.020 0.000 1.011 16 L CA -0.659 54.199 54.840 0.030 0.000 0.818 16 L CB 2.080 44.161 42.059 0.036 0.000 1.316 16 L HN 0.702 nan 8.230 nan 0.000 0.432 17 S N -0.346 115.363 115.700 0.014 0.000 2.669 17 S HA 0.144 3.625 4.470 -1.649 0.000 0.270 17 S C 0.506 175.108 174.600 0.003 0.000 1.225 17 S CA -0.450 57.755 58.200 0.007 0.000 0.991 17 S CB 1.777 64.978 63.200 0.002 0.000 0.987 17 S HN 0.642 nan 8.310 nan 0.000 0.552 18 Q N 0.112 119.912 119.800 0.000 0.000 2.096 18 Q HA -0.096 3.255 4.340 -1.649 0.000 0.204 18 Q C 1.767 177.762 176.000 -0.008 0.000 0.982 18 Q CA 1.836 57.637 55.803 -0.003 0.000 0.850 18 Q CB -0.904 27.832 28.738 -0.003 0.000 0.901 18 Q HN 0.781 nan 8.270 nan 0.000 0.422 19 L N 0.769 121.986 121.223 -0.009 0.000 2.043 19 L HA -0.184 3.167 4.340 -1.649 0.000 0.212 19 L C 1.760 178.621 176.870 -0.016 0.000 1.075 19 L CA 2.141 56.973 54.840 -0.014 0.000 0.752 19 L CB -0.560 41.489 42.059 -0.017 0.000 0.891 19 L HN 0.310 nan 8.230 nan 0.000 0.432 20 E N -1.055 119.138 120.200 -0.013 0.000 2.153 20 E HA -0.164 3.197 4.350 -1.649 0.000 0.194 20 E C 1.960 178.546 176.600 -0.022 0.000 0.988 20 E CA 1.558 57.950 56.400 -0.013 0.000 0.811 20 E CB -0.087 29.615 29.700 0.003 0.000 0.746 20 E HN 0.609 nan 8.360 nan 0.000 0.466 21 V N -1.211 118.689 119.914 -0.023 0.000 3.643 21 V HA 0.049 3.180 4.120 -1.649 0.000 0.280 21 V C 1.847 177.924 176.094 -0.029 0.000 1.351 21 V CA 0.649 62.924 62.300 -0.040 0.000 1.073 21 V CB 0.085 31.887 31.823 -0.036 0.000 0.863 21 V HN 0.195 nan 8.190 nan 0.000 0.436 22 E N 1.854 122.043 120.200 -0.018 0.000 2.130 22 E HA -0.265 3.096 4.350 -1.649 0.000 0.196 22 E C 2.011 178.607 176.600 -0.007 0.000 0.998 22 E CA 1.806 58.198 56.400 -0.013 0.000 0.806 22 E CB -0.472 29.221 29.700 -0.011 0.000 0.738 22 E HN 0.589 nan 8.360 nan 0.000 0.459 23 R N 0.410 120.909 120.500 -0.001 0.000 2.276 23 R HA 0.103 3.454 4.340 -1.649 0.000 0.203 23 R C 1.712 178.048 176.300 0.059 0.000 1.017 23 R CA 0.505 56.619 56.100 0.023 0.000 1.010 23 R CB -0.074 30.241 30.300 0.024 0.000 0.900 23 R HN 0.331 nan 8.270 nan 0.000 0.469 24 L N 0.903 122.148 121.223 0.036 0.000 2.629 24 L HA 0.124 3.475 4.340 -1.649 0.000 0.230 24 L C 0.451 177.407 176.870 0.144 0.000 1.151 24 L CA 0.153 55.053 54.840 0.100 0.000 0.924 24 L CB -0.042 41.943 42.059 -0.123 0.000 1.137 24 L HN -0.084 nan 8.230 nan 0.000 0.457 25 K N 1.950 122.363 120.400 0.022 0.000 2.298 25 K HA 0.088 3.419 4.320 -1.649 0.000 0.280 25 K C 0.254 176.686 176.600 -0.280 0.000 1.032 25 K CA -0.219 56.006 56.287 -0.102 0.000 0.958 25 K CB 1.161 33.616 32.500 -0.075 0.000 0.978 25 K HN -0.045 nan 8.250 nan 0.000 0.472 26 K N 3.340 123.348 120.400 -0.653 0.000 2.307 26 K HA -0.023 3.308 4.320 -1.649 0.000 0.285 26 K C 0.046 176.454 176.600 -0.320 0.000 1.073 26 K CA 0.256 56.021 56.287 -0.870 0.000 0.996 26 K CB 0.102 31.988 32.500 -1.022 0.000 0.994 26 K HN 0.683 nan 8.250 nan 0.000 0.452 31 D N 2.536 122.993 120.400 0.096 0.000 2.144 31 D HA -0.055 3.596 4.640 -1.649 0.000 0.199 31 D C 1.877 178.233 176.300 0.094 0.000 0.984 31 D CA 0.887 54.938 54.000 0.086 0.000 0.834 31 D CB 0.112 40.949 40.800 0.061 0.000 0.955 31 D HN 0.473 nan 8.370 nan 0.000 0.465 32 L N -0.269 121.017 121.223 0.105 0.000 2.093 32 L HA -0.145 3.205 4.340 -1.649 0.000 0.208 32 L C 2.105 179.067 176.870 0.152 0.000 1.085 32 L CA 1.467 56.372 54.840 0.107 0.000 0.755 32 L CB -0.768 41.344 42.059 0.088 0.000 0.904 32 L HN 0.108 nan 8.230 nan 0.000 0.435 33 Y N -0.416 119.943 120.300 0.100 0.000 2.128 33 Y HA -0.298 3.246 4.550 -1.677 0.000 0.284 33 Y C 2.522 178.513 175.900 0.152 0.000 1.154 33 Y CA 1.951 60.139 58.100 0.147 0.000 1.149 33 Y CB -0.082 38.438 38.460 0.101 0.000 0.976 33 Y HN 0.260 nan 8.280 nan 0.000 0.505 34 Q N 0.454 120.238 119.800 -0.027 0.000 2.135 34 Q HA -0.224 3.127 4.340 -1.649 0.000 0.204 34 Q C 2.441 178.365 176.000 -0.126 0.000 0.981 34 Q CA 1.819 57.549 55.803 -0.121 0.000 0.856 34 Q CB -0.709 28.049 28.738 0.032 0.000 0.902 34 Q HN 0.654 nan 8.270 nan 0.000 0.425 35 L N -0.230 120.972 121.223 -0.035 0.000 2.027 35 L HA -0.215 3.135 4.340 -1.649 0.000 0.206 35 L C 2.501 179.363 176.870 -0.014 0.000 1.074 35 L CA 1.378 56.213 54.840 -0.008 0.000 0.745 35 L CB -0.403 41.680 42.059 0.039 0.000 0.898 35 L HN 0.134 nan 8.230 nan 0.000 0.433 36 Y N 0.905 121.125 120.300 -0.134 0.000 2.128 36 Y HA -0.326 4.255 4.550 0.053 0.000 0.284 36 Y C 2.836 178.634 175.900 -0.170 0.000 1.154 36 Y CA 2.190 60.214 58.100 -0.126 0.000 1.149 36 Y CB -0.530 37.876 38.460 -0.089 0.000 0.976 36 Y HN 0.165 nan 8.280 nan 0.000 0.505 37 R N 0.260 120.420 120.500 -0.566 0.000 2.096 37 R HA -0.268 3.083 4.340 -1.649 0.000 0.240 37 R C 2.165 178.338 176.300 -0.211 0.000 1.139 37 R CA 2.085 57.889 56.100 -0.494 0.000 0.952 37 R CB -0.653 29.267 30.300 -0.633 0.000 0.854 37 R HN 0.467 nan 8.270 nan 0.000 0.436 38 N N -0.144 118.451 118.700 -0.174 0.000 2.084 38 N HA -0.153 3.598 4.740 -1.649 0.000 0.190 38 N C 1.663 177.089 175.510 -0.141 0.000 1.030 38 N CA 1.938 54.919 53.050 -0.116 0.000 0.849 38 N CB -0.309 38.135 38.487 -0.072 0.000 1.012 38 N HN 0.279 nan 8.380 nan 0.000 0.423 39 C N -0.706 118.513 119.300 -0.136 0.000 2.440 39 C HA 0.031 3.502 4.460 -1.649 0.000 0.278 39 C C 2.805 177.693 174.990 -0.170 0.000 1.295 39 C CA 0.790 59.739 59.018 -0.115 0.000 1.738 39 C CB -1.193 26.513 27.740 -0.056 0.000 1.987 39 C HN 0.474 nan 8.230 nan 0.000 0.492 40 S N 0.858 116.400 115.700 -0.264 0.000 2.371 40 S HA -0.116 3.365 4.470 -1.649 0.000 0.224 40 S C 1.723 176.129 174.600 -0.324 0.000 1.029 40 S CA 0.943 58.981 58.200 -0.270 0.000 0.978 40 S CB -0.461 62.530 63.200 -0.349 0.000 0.833 40 S HN 0.513 nan 8.310 nan 0.000 0.466 41 L N 2.320 123.278 121.223 -0.442 0.000 2.042 41 L HA -0.065 3.286 4.340 -1.649 0.000 0.210 41 L C 2.348 178.954 176.870 -0.439 0.000 1.076 41 L CA 1.888 56.286 54.840 -0.736 0.000 0.749 41 L CB -1.126 40.564 42.059 -0.615 0.000 0.893 41 L HN 0.262 nan 8.230 nan 0.000 0.432 42 A N -1.498 121.166 122.820 -0.261 0.000 1.933 42 A HA -0.154 3.177 4.320 -1.649 0.000 0.218 42 A C 2.307 179.824 177.584 -0.112 0.000 1.175 42 A CA 1.955 53.901 52.037 -0.152 0.000 0.628 42 A CB -0.999 17.948 19.000 -0.088 0.000 0.814 42 A HN 0.306 nan 8.150 nan 0.000 0.444 43 V N -0.417 119.421 119.914 -0.126 0.000 2.719 43 V HA -0.105 3.026 4.120 -1.649 0.000 0.252 43 V C 2.354 178.397 176.094 -0.084 0.000 1.065 43 V CA 1.431 63.700 62.300 -0.052 0.000 1.086 43 V CB -0.346 31.459 31.823 -0.030 0.000 0.700 43 V HN 0.559 nan 8.190 nan 0.000 0.467 44 L N -0.068 121.024 121.223 -0.217 0.000 2.240 44 L HA 0.031 3.382 4.340 -1.649 0.000 0.211 44 L C 1.483 178.175 176.870 -0.296 0.000 1.106 44 L CA 0.880 55.543 54.840 -0.296 0.000 0.793 44 L CB -0.236 41.552 42.059 -0.452 0.000 0.927 44 L HN 0.329 nan 8.230 nan 0.000 0.446 45 N N -0.549 118.001 118.700 -0.250 0.000 2.758 45 N HA -0.034 3.717 4.740 -1.649 0.000 0.293 45 N C 1.207 176.830 175.510 0.188 0.000 1.273 45 N CA 0.185 53.168 53.050 -0.113 0.000 1.022 45 N CB 0.218 38.594 38.487 -0.184 0.000 1.334 45 N HN 0.090 nan 8.380 nan 0.000 0.519 46 S N -2.002 113.786 115.700 0.146 0.000 2.524 46 S HA 0.190 3.671 4.470 -1.649 0.000 0.216 46 S C 1.157 175.852 174.600 0.159 0.000 0.987 46 S CA -0.162 58.133 58.200 0.158 0.000 0.909 46 S CB -0.198 63.062 63.200 0.100 0.000 0.781 46 S HN 0.270 nan 8.310 nan 0.000 0.521 47 G N 0.645 109.587 108.800 0.235 0.000 2.684 47 G HA2 0.430 3.401 3.960 -1.649 0.000 0.255 47 G HA3 0.430 3.401 3.960 -1.649 0.000 0.255 47 G C 0.456 175.353 174.900 -0.005 0.000 1.219 47 G CA -0.174 44.996 45.100 0.117 0.000 0.901 47 G HN 0.652 nan 8.290 nan 0.000 0.548 48 S N 0.739 116.393 115.700 -0.077 0.000 3.902 48 S HA 0.093 3.574 4.470 -1.649 0.000 0.176 48 S C 0.996 175.537 174.600 -0.098 0.000 1.153 48 S CA -0.191 57.922 58.200 -0.145 0.000 0.954 48 S CB -1.309 61.823 63.200 -0.113 0.000 1.530 48 S HN 0.788 nan 8.310 nan 0.000 0.445 49 H N -0.305 118.748 119.070 -0.030 0.000 3.004 49 H HA 0.077 3.644 4.556 -1.649 0.000 0.316 49 H C 1.055 176.386 175.328 0.005 0.000 1.014 49 H CA 0.431 56.474 56.048 -0.007 0.000 1.454 49 H CB 0.284 30.077 29.762 0.051 0.000 1.472 49 H HN 0.259 nan 8.280 nan 0.000 0.571 50 T N 1.869 116.411 114.554 -0.020 0.000 2.622 50 T HA -0.199 3.162 4.350 -1.649 0.000 0.266 50 T C 0.386 175.105 174.700 0.032 0.000 1.047 50 T CA 1.364 63.439 62.100 -0.043 0.000 1.159 50 T CB -0.468 68.393 68.868 -0.011 0.000 0.863 50 T HN 0.780 nan 8.240 nan 0.000 0.422 51 D N 1.684 122.191 120.400 0.179 0.000 3.061 51 D HA -0.099 3.552 4.640 -1.649 0.000 0.226 51 D C 0.962 177.426 176.300 0.272 0.000 1.168 51 D CA 0.368 54.502 54.000 0.224 0.000 0.822 51 D CB -0.143 40.772 40.800 0.192 0.000 1.152 51 D HN 0.699 nan 8.370 nan 0.000 0.555 52 N N 0.988 119.789 118.700 0.169 0.000 2.280 52 N HA -0.052 3.699 4.740 -1.649 0.000 0.192 52 N C 0.090 175.660 175.510 0.100 0.000 1.109 52 N CA -0.607 52.524 53.050 0.135 0.000 0.855 52 N CB 0.450 39.015 38.487 0.129 0.000 0.974 52 N HN 0.106 nan 8.380 nan 0.000 0.482 53 S N 1.054 116.813 115.700 0.099 0.000 2.489 53 S HA 0.141 3.622 4.470 -1.649 0.000 0.277 53 S C 0.769 175.399 174.600 0.051 0.000 1.230 53 S CA -0.693 57.549 58.200 0.070 0.000 1.053 53 S CB 0.945 64.183 63.200 0.063 0.000 0.955 53 S HN 0.139 nan 8.310 nan 0.000 0.488 54 K N 2.951 123.373 120.400 0.037 0.000 2.699 54 K HA 0.009 3.340 4.320 -1.649 0.000 0.205 54 K C 0.342 176.947 176.600 0.008 0.000 1.008 54 K CA 0.128 56.427 56.287 0.019 0.000 1.100 54 K CB 0.021 32.532 32.500 0.018 0.000 0.878 54 K HN 0.553 nan 8.250 nan 0.000 0.496 55 E N 0.688 120.894 120.200 0.010 0.000 2.526 55 E HA -0.083 3.278 4.350 -1.649 0.000 0.198 55 E C 1.447 178.038 176.600 -0.015 0.000 1.091 55 E CA 0.166 56.566 56.400 -0.001 0.000 0.880 55 E CB 0.000 29.701 29.700 0.002 0.000 0.873 55 E HN 0.199 nan 8.360 nan 0.000 0.527 56 L N 0.069 121.278 121.223 -0.022 0.000 1.970 56 L HA -0.206 3.145 4.340 -1.649 0.000 0.212 56 L C 2.222 179.075 176.870 -0.028 0.000 1.071 56 L CA 1.525 56.331 54.840 -0.056 0.000 0.751 56 L CB -1.604 40.387 42.059 -0.113 0.000 0.889 56 L HN 0.233 nan 8.230 nan 0.000 0.432 57 L N -0.394 120.827 121.223 -0.004 0.000 2.021 57 L HA -0.291 3.060 4.340 -1.649 0.000 0.215 57 L C 2.139 179.025 176.870 0.027 0.000 1.074 57 L CA 1.657 56.519 54.840 0.036 0.000 0.760 57 L CB -1.206 40.869 42.059 0.027 0.000 0.889 57 L HN 0.244 nan 8.230 nan 0.000 0.433 58 D N 0.215 120.609 120.400 -0.011 0.000 2.239 58 D HA -0.223 3.427 4.640 -1.649 0.000 0.202 58 D C 2.046 178.291 176.300 -0.091 0.000 0.993 58 D CA 1.220 55.202 54.000 -0.030 0.000 0.874 58 D CB -0.284 40.498 40.800 -0.030 0.000 0.922 58 D HN 0.354 nan 8.370 nan 0.000 0.464 59 K N -0.581 119.711 120.400 -0.180 0.000 2.147 59 K HA -0.120 3.211 4.320 -1.649 0.000 0.205 59 K C 0.158 176.397 176.600 -0.602 0.000 1.049 59 K CA 0.842 56.875 56.287 -0.423 0.000 0.936 59 K CB 0.073 32.216 32.500 -0.595 0.000 0.722 59 K HN 0.209 nan 8.250 nan 0.000 0.446 60 Y N 0.332 120.638 120.300 0.011 0.000 2.617 60 Y HA 0.245 3.808 4.550 -1.645 0.000 0.328 60 Y C 0.692 176.645 175.900 0.088 0.000 0.946 60 Y CA -0.566 57.558 58.100 0.040 0.000 1.241 60 Y CB 0.725 39.175 38.460 -0.016 0.000 1.226 60 Y HN -0.134 nan 8.280 nan 0.000 0.582 61 K N 0.725 121.210 120.400 0.142 0.000 2.148 61 K HA -0.128 3.203 4.320 -1.649 0.000 0.204 61 K C 1.340 178.031 176.600 0.152 0.000 1.050 61 K CA 1.360 57.724 56.287 0.127 0.000 0.942 61 K CB 0.119 32.658 32.500 0.064 0.000 0.724 61 K HN 0.463 nan 8.250 nan 0.000 0.446 62 N N 0.298 119.093 118.700 0.159 0.000 2.398 62 N HA -0.100 3.651 4.740 -1.649 0.000 0.188 62 N C 0.187 175.804 175.510 0.178 0.000 1.122 62 N CA -0.138 52.994 53.050 0.136 0.000 0.866 62 N CB -0.458 38.091 38.487 0.103 0.000 0.970 62 N HN -0.013 nan 8.380 nan 0.000 0.462 63 F N 1.955 121.965 119.950 0.100 0.000 2.563 63 F HA 0.224 3.750 4.527 -1.668 0.000 0.363 63 F C -0.028 175.812 175.800 0.067 0.000 1.123 63 F CA 0.187 58.227 58.000 0.067 0.000 1.307 63 F CB 0.392 39.412 39.000 0.033 0.000 1.115 63 F HN -0.013 nan 8.300 nan 0.000 0.592 64 D N 4.981 124.780 120.400 -1.002 0.000 2.599 64 D HA 0.425 4.076 4.640 -1.649 0.000 0.252 64 D C -1.405 174.283 176.300 -1.019 0.000 1.232 64 D CA -0.390 53.123 54.000 -0.812 0.000 0.819 64 D CB 2.514 43.189 40.800 -0.209 0.000 1.401 64 D HN 0.606 nan 8.370 nan 0.000 0.429 65 I N 0.004 120.301 120.570 -0.455 0.000 2.619 65 I HA 0.411 3.592 4.170 -1.649 0.000 0.292 65 I C -1.389 174.774 176.117 0.077 0.000 1.100 65 I CA -0.091 61.087 61.300 -0.204 0.000 1.043 65 I CB 2.127 40.039 38.000 -0.147 0.000 1.239 65 I HN 0.171 nan 8.210 nan 0.000 0.420 66 T N 5.998 120.584 114.554 0.054 0.000 2.824 66 T HA 0.532 3.893 4.350 -1.649 0.000 0.282 66 T C -0.311 174.451 174.700 0.103 0.000 0.993 66 T CA -0.345 61.798 62.100 0.072 0.000 0.967 66 T CB 1.880 70.751 68.868 0.005 0.000 0.960 66 T HN 0.305 nan 8.240 nan 0.000 0.441 70 R N 1.116 121.636 120.500 0.034 0.000 3.176 70 R HA 0.217 3.568 4.340 -1.649 0.000 0.247 70 R C 1.027 177.337 176.300 0.016 0.000 1.382 70 R CA -0.672 55.443 56.100 0.025 0.000 1.040 70 R CB 0.120 30.439 30.300 0.032 0.000 1.426 70 R HN 0.647 nan 8.270 nan 0.000 0.485 71 E N 1.310 121.517 120.200 0.012 0.000 2.153 71 E HA -0.151 3.210 4.350 -1.649 0.000 0.194 71 E C 0.559 177.158 176.600 -0.002 0.000 0.988 71 E CA 1.376 57.778 56.400 0.005 0.000 0.811 71 E CB 0.074 29.777 29.700 0.004 0.000 0.746 71 E HN 0.343 nan 8.360 nan 0.000 0.466 72 R N 0.784 121.281 120.500 -0.005 0.000 2.586 72 R HA 0.339 3.690 4.340 -1.649 0.000 0.336 72 R C 0.440 176.724 176.300 -0.026 0.000 1.060 72 R CA 0.298 56.386 56.100 -0.019 0.000 1.079 72 R CB 0.968 31.251 30.300 -0.027 0.000 1.317 72 R HN 0.324 nan 8.270 nan 0.000 0.568 73 G N 1.194 109.991 108.800 -0.006 0.000 2.472 73 G HA2 -0.206 2.765 3.960 -1.649 0.000 0.205 73 G HA3 -0.206 2.765 3.960 -1.649 0.000 0.205 73 G C -0.552 174.370 174.900 0.038 0.000 1.270 73 G CA -0.988 44.114 45.100 0.003 0.000 0.974 73 G HN 0.040 nan 8.290 nan 0.000 0.542 74 I N 1.528 122.145 120.570 0.078 0.000 2.556 74 I HA 0.284 3.464 4.170 -1.649 0.000 0.284 74 I C 0.879 177.143 176.117 0.244 0.000 1.114 74 I CA 0.436 61.841 61.300 0.176 0.000 1.418 74 I CB 0.714 38.890 38.000 0.293 0.000 1.394 74 I HN 0.444 nan 8.210 nan 0.000 0.552 75 K N 6.409 126.932 120.400 0.205 0.000 2.208 75 K HA 0.724 4.055 4.320 -1.649 0.000 0.247 75 K C -0.973 175.744 176.600 0.196 0.000 0.953 75 K CA -0.794 55.632 56.287 0.231 0.000 0.837 75 K CB 2.295 34.875 32.500 0.134 0.000 1.131 75 K HN 0.387 nan 8.250 nan 0.000 0.431 76 L N 1.352 122.678 121.223 0.172 0.000 2.346 76 L HA 0.428 3.779 4.340 -1.649 0.000 0.276 76 L C -0.442 176.468 176.870 0.066 0.000 1.006 76 L CA -0.695 54.191 54.840 0.075 0.000 0.817 76 L CB 1.830 43.862 42.059 -0.044 0.000 1.272 76 L HN 0.633 nan 8.230 nan 0.000 0.421 77 E N 3.305 123.533 120.200 0.046 0.000 2.129 77 E HA 0.513 3.874 4.350 -1.649 0.000 0.268 77 E C -1.443 175.156 176.600 -0.002 0.000 0.900 77 E CA -0.550 55.868 56.400 0.030 0.000 0.755 77 E CB 1.264 30.975 29.700 0.019 0.000 1.117 77 E HN 0.453 nan 8.360 nan 0.000 0.410 78 L N 3.182 124.416 121.223 0.019 0.000 2.295 78 L HA 0.638 3.988 4.340 -1.649 0.000 0.285 78 L C -0.150 176.712 176.870 -0.013 0.000 1.035 78 L CA -0.940 53.899 54.840 -0.001 0.000 0.806 78 L CB 1.690 43.846 42.059 0.162 0.000 1.214 78 L HN 0.534 nan 8.230 nan 0.000 0.426 79 A N 3.189 125.925 122.820 -0.139 0.000 2.260 79 A HA 0.449 3.780 4.320 -1.649 0.000 0.314 79 A C 0.169 177.781 177.584 0.047 0.000 1.257 79 A CA -0.550 51.449 52.037 -0.064 0.000 0.871 79 A CB 0.155 19.085 19.000 -0.117 0.000 1.166 79 A HN 0.878 nan 8.150 nan 0.000 0.522 80 N N 0.765 119.538 118.700 0.122 0.000 2.696 80 N HA -0.109 3.642 4.740 -1.649 0.000 0.256 80 N C -2.569 173.138 175.510 0.329 0.000 1.031 80 N CA 0.976 54.141 53.050 0.193 0.000 0.730 80 N CB -1.594 36.998 38.487 0.175 0.000 0.894 80 N HN 0.572 nan 8.380 nan 0.000 0.544 81 P HA 0.195 nan 4.420 nan 0.000 0.271 81 P C -2.341 174.990 177.300 0.051 0.000 1.218 81 P CA -0.839 62.400 63.100 0.232 0.000 0.780 81 P CB 0.017 31.913 31.700 0.327 0.000 0.901 82 P HA -0.059 nan 4.420 nan 0.000 0.262 82 P C 1.212 178.467 177.300 -0.074 0.000 1.182 82 P CA 0.391 63.229 63.100 -0.437 0.000 0.761 82 P CB 0.163 31.260 31.700 -1.005 0.000 0.795 83 E N 3.447 123.687 120.200 0.067 0.000 2.160 83 E HA -0.284 3.077 4.350 -1.649 0.000 0.195 83 E C 0.998 177.781 176.600 0.304 0.000 0.991 83 E CA 1.189 57.719 56.400 0.217 0.000 0.810 83 E CB -0.677 29.105 29.700 0.137 0.000 0.742 83 E HN 0.589 nan 8.360 nan 0.000 0.466 84 H N 0.545 119.729 119.070 0.190 0.000 2.561 84 H HA 0.215 3.784 4.556 -1.646 0.000 0.278 84 H C 1.648 177.028 175.328 0.087 0.000 1.014 84 H CA 0.912 57.040 56.048 0.134 0.000 1.211 84 H CB -0.321 29.500 29.762 0.098 0.000 1.365 84 H HN 0.336 nan 8.280 nan 0.000 0.594 85 A N 0.495 123.275 122.820 -0.067 0.000 2.235 85 A HA 0.182 3.513 4.320 -1.649 0.000 0.208 85 A C 0.001 177.372 177.584 -0.355 0.000 1.172 85 A CA -0.099 51.792 52.037 -0.243 0.000 0.786 85 A CB -0.589 18.148 19.000 -0.439 0.000 0.804 85 A HN 0.173 nan 8.150 nan 0.000 0.479 86 F N -1.600 118.346 119.950 -0.007 0.000 2.508 86 F HA 0.552 4.091 4.527 -1.647 0.000 0.325 86 F C -0.215 175.600 175.800 0.025 0.000 1.090 86 F CA -0.904 57.101 58.000 0.008 0.000 0.945 86 F CB 2.279 41.284 39.000 0.009 0.000 1.156 86 F HN -0.245 nan 8.300 nan 0.000 0.463 87 V N 2.076 122.109 119.914 0.199 0.000 2.407 87 V HA 0.255 3.386 4.120 -1.649 0.000 0.291 87 V C -0.922 175.256 176.094 0.139 0.000 1.018 87 V CA -1.104 61.278 62.300 0.136 0.000 0.842 87 V CB 1.318 33.187 31.823 0.077 0.000 0.996 87 V HN 0.798 nan 8.190 nan 0.000 0.426 88 D N 4.359 124.827 120.400 0.114 0.000 2.692 88 D HA -0.188 3.463 4.640 -1.649 0.000 0.233 88 D C 1.337 177.697 176.300 0.099 0.000 1.172 88 D CA 1.796 55.846 54.000 0.084 0.000 0.636 88 D CB -1.052 39.786 40.800 0.063 0.000 1.028 88 D HN 1.436 nan 8.370 nan 0.000 0.419 89 G N -0.668 108.210 108.800 0.129 0.000 2.155 89 G HA2 -0.323 2.648 3.960 -1.649 0.000 0.257 89 G HA3 -0.323 2.648 3.960 -1.649 0.000 0.257 89 G C 0.020 175.098 174.900 0.297 0.000 0.983 89 G CA 0.533 45.703 45.100 0.117 0.000 0.676 89 G HN 0.510 nan 8.290 nan 0.000 0.528 90 Q N -0.497 119.513 119.800 0.349 0.000 2.375 90 Q HA 0.599 3.950 4.340 -1.649 0.000 0.271 90 Q C 0.164 176.230 176.000 0.110 0.000 1.074 90 Q CA -0.974 54.989 55.803 0.265 0.000 0.808 90 Q CB 2.197 31.008 28.738 0.122 0.000 1.327 90 Q HN 0.366 nan 8.270 nan 0.000 0.441 91 I N 2.311 122.806 120.570 -0.125 0.000 2.556 91 I HA 0.073 3.254 4.170 -1.649 0.000 0.284 91 I C 0.668 176.668 176.117 -0.196 0.000 1.114 91 I CA -0.276 60.765 61.300 -0.433 0.000 1.418 91 I CB 0.364 38.087 38.000 -0.461 0.000 1.394 91 I HN 0.449 nan 8.210 nan 0.000 0.552 92 I N 7.032 127.487 120.570 -0.192 0.000 2.775 92 I HA -0.101 3.080 4.170 -1.649 0.000 0.290 92 I C 1.511 177.568 176.117 -0.099 0.000 1.203 92 I CA 0.446 61.685 61.300 -0.101 0.000 1.433 92 I CB 0.277 38.227 38.000 -0.083 0.000 1.354 92 I HN 0.644 nan 8.210 nan 0.000 0.579 93 K N 4.146 124.509 120.400 -0.061 0.000 2.148 93 K HA -0.099 3.232 4.320 -1.649 0.000 0.204 93 K C 1.999 178.545 176.600 -0.090 0.000 1.050 93 K CA 1.301 57.557 56.287 -0.052 0.000 0.942 93 K CB -0.218 32.268 32.500 -0.023 0.000 0.724 93 K HN 0.947 nan 8.250 nan 0.000 0.446 94 G N 1.535 110.258 108.800 -0.128 0.000 2.422 94 G HA2 -0.226 2.745 3.960 -1.649 0.000 0.218 94 G HA3 -0.226 2.745 3.960 -1.649 0.000 0.218 94 G C 1.483 176.088 174.900 -0.492 0.000 1.146 94 G CA 0.636 45.578 45.100 -0.265 0.000 0.769 94 G HN 0.140 nan 8.290 nan 0.000 0.547 95 I N 0.131 120.519 120.570 -0.302 0.000 2.252 95 I HA -0.199 2.982 4.170 -1.649 0.000 0.245 95 I C 2.997 179.032 176.117 -0.137 0.000 1.102 95 I CA 1.005 62.168 61.300 -0.228 0.000 1.385 95 I CB -0.369 37.536 38.000 -0.158 0.000 1.064 95 I HN 0.233 nan 8.210 nan 0.000 0.414 96 Q N 0.766 120.507 119.800 -0.098 0.000 2.062 96 Q HA -0.285 3.066 4.340 -1.649 0.000 0.209 96 Q C 2.133 178.213 176.000 0.133 0.000 0.996 96 Q CA 1.997 57.809 55.803 0.016 0.000 0.859 96 Q CB -0.234 28.541 28.738 0.062 0.000 0.920 96 Q HN 0.570 nan 8.270 nan 0.000 0.415 97 E N -0.313 119.931 120.200 0.073 0.000 2.077 97 E HA -0.198 3.163 4.350 -1.649 0.000 0.193 97 E C 1.837 178.566 176.600 0.216 0.000 0.989 97 E CA 1.010 57.508 56.400 0.164 0.000 0.800 97 E CB -0.190 29.543 29.700 0.055 0.000 0.746 97 E HN 0.570 nan 8.360 nan 0.000 0.452 98 H N 0.406 119.518 119.070 0.071 0.000 2.421 98 H HA -0.081 3.482 4.556 -1.654 0.000 0.298 98 H C 2.261 177.588 175.328 -0.001 0.000 1.087 98 H CA 0.552 56.621 56.048 0.035 0.000 1.330 98 H CB 0.038 29.803 29.762 0.004 0.000 1.388 98 H HN 0.086 nan 8.280 nan 0.000 0.526 99 L N -0.275 120.980 121.223 0.053 0.000 2.083 99 L HA -0.200 3.150 4.340 -1.649 0.000 0.209 99 L C 1.781 178.538 176.870 -0.188 0.000 1.083 99 L CA 1.076 55.836 54.840 -0.132 0.000 0.752 99 L CB -0.311 41.565 42.059 -0.305 0.000 0.899 99 L HN 0.237 nan 8.230 nan 0.000 0.433 100 F N -0.783 119.227 119.950 0.099 0.000 2.293 100 F HA -0.109 3.439 4.527 -1.632 0.000 0.297 100 F C 2.683 178.535 175.800 0.087 0.000 1.089 100 F CA 0.966 59.021 58.000 0.091 0.000 1.377 100 F CB -0.598 38.436 39.000 0.056 0.000 1.051 100 F HN -0.072 nan 8.300 nan 0.000 0.511 101 S N -0.070 115.762 115.700 0.220 0.000 2.368 101 S HA -0.134 3.347 4.470 -1.649 0.000 0.225 101 S C 2.343 177.007 174.600 0.107 0.000 1.030 101 S CA 1.145 59.430 58.200 0.141 0.000 0.999 101 S CB -0.517 62.756 63.200 0.121 0.000 0.844 101 S HN 0.121 nan 8.310 nan 0.000 0.459 102 V N 2.012 121.988 119.914 0.104 0.000 2.255 102 V HA -0.174 2.957 4.120 -1.649 0.000 0.247 102 V C 2.282 178.486 176.094 0.183 0.000 1.051 102 V CA 1.769 64.137 62.300 0.113 0.000 1.018 102 V CB -0.715 31.157 31.823 0.082 0.000 0.641 102 V HN 0.375 nan 8.190 nan 0.000 0.445 103 L N 0.502 121.861 121.223 0.227 0.000 1.990 103 L HA -0.218 3.133 4.340 -1.649 0.000 0.213 103 L C 2.630 179.558 176.870 0.096 0.000 1.072 103 L CA 2.465 57.399 54.840 0.156 0.000 0.755 103 L CB -0.846 41.294 42.059 0.136 0.000 0.889 103 L HN 0.273 nan 8.230 nan 0.000 0.432 104 R N -0.677 119.898 120.500 0.126 0.000 2.096 104 R HA -0.217 3.134 4.340 -1.649 0.000 0.240 104 R C 1.873 178.233 176.300 0.100 0.000 1.139 104 R CA 2.287 58.449 56.100 0.104 0.000 0.952 104 R CB -0.492 29.860 30.300 0.086 0.000 0.854 104 R HN 0.475 nan 8.270 nan 0.000 0.436 105 D N 0.212 120.661 120.400 0.083 0.000 2.149 105 D HA -0.091 3.560 4.640 -1.649 0.000 0.201 105 D C 1.979 178.350 176.300 0.119 0.000 0.972 105 D CA 0.720 54.767 54.000 0.079 0.000 0.835 105 D CB -0.099 40.723 40.800 0.036 0.000 0.966 105 D HN 0.200 nan 8.370 nan 0.000 0.476 106 I N 0.937 121.571 120.570 0.105 0.000 2.163 106 I HA -0.193 2.988 4.170 -1.649 0.000 0.243 106 I C 2.566 178.729 176.117 0.077 0.000 1.085 106 I CA 0.638 61.993 61.300 0.093 0.000 1.347 106 I CB -1.270 36.790 38.000 0.099 0.000 1.044 106 I HN -0.089 nan 8.210 nan 0.000 0.408 107 V N 0.185 120.136 119.914 0.062 0.000 2.287 107 V HA -0.330 2.801 4.120 -1.649 0.000 0.248 107 V C 2.437 178.609 176.094 0.130 0.000 1.053 107 V CA 2.046 64.385 62.300 0.064 0.000 1.027 107 V CB -0.960 30.893 31.823 0.050 0.000 0.646 107 V HN 0.388 nan 8.190 nan 0.000 0.447 108 Y N 0.446 120.781 120.300 0.059 0.000 2.163 108 Y HA -0.187 3.364 4.550 -1.664 0.000 0.288 108 Y C 2.394 178.391 175.900 0.161 0.000 1.136 108 Y CA 1.836 60.000 58.100 0.106 0.000 1.147 108 Y CB -0.253 38.214 38.460 0.012 0.000 0.987 108 Y HN 0.024 nan 8.280 nan 0.000 0.509 109 V N 0.915 120.977 119.914 0.246 0.000 2.407 109 V HA -0.289 2.842 4.120 -1.649 0.000 0.248 109 V C 1.256 177.398 176.094 0.080 0.000 1.055 109 V CA 1.658 64.053 62.300 0.158 0.000 1.049 109 V CB -1.132 30.787 31.823 0.159 0.000 0.662 109 V HN 0.424 nan 8.190 nan 0.000 0.455 113 L N -0.573 120.664 121.223 0.023 0.000 2.141 113 L HA 0.175 3.526 4.340 -1.649 0.000 0.209 113 L C 1.498 178.395 176.870 0.045 0.000 1.094 113 L CA 1.389 56.257 54.840 0.047 0.000 0.763 113 L CB -0.003 42.064 42.059 0.014 0.000 0.908 113 L HN 0.373 nan 8.230 nan 0.000 0.437 123 N N 2.292 121.056 118.700 0.107 0.000 2.104 123 N HA -0.054 3.697 4.740 -1.649 0.000 0.190 123 N C 2.079 177.705 175.510 0.193 0.000 1.024 123 N CA 2.485 55.622 53.050 0.145 0.000 0.853 123 N CB -0.124 38.425 38.487 0.102 0.000 1.008 123 N HN 0.647 nan 8.380 nan 0.000 0.424 124 A N -0.862 122.049 122.820 0.152 0.000 1.902 124 A HA -0.122 3.209 4.320 -1.649 0.000 0.217 124 A C 2.330 180.015 177.584 0.168 0.000 1.181 124 A CA 2.067 54.195 52.037 0.152 0.000 0.623 124 A CB -1.161 17.915 19.000 0.126 0.000 0.818 124 A HN 0.428 nan 8.150 nan 0.000 0.443 125 T N -1.629 113.026 114.554 0.167 0.000 2.857 125 T HA -0.074 3.287 4.350 -1.649 0.000 0.266 125 T C 1.818 176.640 174.700 0.203 0.000 1.048 125 T CA 1.606 63.812 62.100 0.177 0.000 1.139 125 T CB -0.344 68.607 68.868 0.139 0.000 0.874 125 T HN 0.847 nan 8.240 nan 0.000 0.455 126 H N 1.040 120.185 119.070 0.125 0.000 2.353 126 H HA 0.058 3.624 4.556 -1.650 0.000 0.300 126 H C 1.977 177.393 175.328 0.147 0.000 1.090 126 H CA 1.469 57.593 56.048 0.128 0.000 1.327 126 H CB -0.469 29.354 29.762 0.102 0.000 1.383 126 H HN 0.321 nan 8.280 nan 0.000 0.508 127 I N -0.092 120.505 120.570 0.044 0.000 2.179 127 I HA -0.265 2.916 4.170 -1.649 0.000 0.242 127 I C 2.266 178.410 176.117 0.045 0.000 1.088 127 I CA 1.748 63.051 61.300 0.004 0.000 1.357 127 I CB -0.436 37.641 38.000 0.129 0.000 1.051 127 I HN 0.354 nan 8.210 nan 0.000 0.409 128 T N 0.478 115.110 114.554 0.131 0.000 2.821 128 T HA -0.110 3.251 4.350 -1.649 0.000 0.267 128 T C 1.718 176.539 174.700 0.201 0.000 1.046 128 T CA 1.161 63.374 62.100 0.189 0.000 1.139 128 T CB -0.291 68.726 68.868 0.247 0.000 0.871 128 T HN 0.334 nan 8.240 nan 0.000 0.454 129 N N 1.007 119.833 118.700 0.210 0.000 2.244 129 N HA -0.032 3.719 4.740 -1.649 0.000 0.183 129 N C 1.834 177.442 175.510 0.163 0.000 1.016 129 N CA 0.687 53.893 53.050 0.260 0.000 0.866 129 N CB -0.221 38.413 38.487 0.244 0.000 0.980 129 N HN 0.220 nan 8.380 nan 0.000 0.430 130 L N 1.457 122.675 121.223 -0.007 0.000 2.017 130 L HA -0.083 3.268 4.340 -1.649 0.000 0.208 130 L C 2.149 179.033 176.870 0.024 0.000 1.073 130 L CA 1.309 56.128 54.840 -0.035 0.000 0.745 130 L CB -0.660 41.282 42.059 -0.194 0.000 0.894 130 L HN -0.147 nan 8.230 nan 0.000 0.432 131 V N -0.425 119.518 119.914 0.048 0.000 2.295 131 V HA -0.314 2.816 4.120 -1.649 0.000 0.246 131 V C 2.340 178.448 176.094 0.023 0.000 1.049 131 V CA 2.147 64.488 62.300 0.067 0.000 1.024 131 V CB -0.881 31.026 31.823 0.141 0.000 0.648 131 V HN 0.579 nan 8.190 nan 0.000 0.447 132 F N 1.945 121.751 119.950 -0.241 0.000 2.102 132 F HA -0.053 3.488 4.527 -1.644 0.000 0.298 132 F C 2.177 177.763 175.800 -0.357 0.000 1.105 132 F CA 1.779 59.372 58.000 -0.677 0.000 1.239 132 F CB -1.002 37.448 39.000 -0.917 0.000 0.991 132 F HN 0.127 nan 8.300 nan 0.000 0.474 133 G N 0.811 109.480 108.800 -0.219 0.000 2.421 133 G HA2 -0.245 2.726 3.960 -1.649 0.000 0.216 133 G HA3 -0.245 2.726 3.960 -1.649 0.000 0.216 133 G C 1.825 176.413 174.900 -0.519 0.000 1.171 133 G CA 1.282 46.203 45.100 -0.297 0.000 0.775 133 G HN 0.482 nan 8.290 nan 0.000 0.543 134 I N 0.372 120.723 120.570 -0.366 0.000 2.163 134 I HA -0.168 3.012 4.170 -1.649 0.000 0.243 134 I C 2.743 178.583 176.117 -0.461 0.000 1.085 134 I CA 0.834 61.834 61.300 -0.501 0.000 1.347 134 I CB -0.239 37.657 38.000 -0.174 0.000 1.044 134 I HN 0.119 nan 8.210 nan 0.000 0.408 135 L N 0.120 121.139 121.223 -0.341 0.000 2.083 135 L HA -0.215 3.136 4.340 -1.649 0.000 0.209 135 L C 2.774 179.431 176.870 -0.355 0.000 1.083 135 L CA 1.293 55.970 54.840 -0.271 0.000 0.752 135 L CB -0.583 41.384 42.059 -0.153 0.000 0.899 135 L HN 0.240 nan 8.230 nan 0.000 0.433 136 R N 0.633 120.801 120.500 -0.554 0.000 2.073 136 R HA -0.228 3.123 4.340 -1.649 0.000 0.234 136 R C 2.103 178.162 176.300 -0.401 0.000 1.134 136 R CA 2.118 57.893 56.100 -0.540 0.000 0.952 136 R CB -0.271 29.533 30.300 -0.826 0.000 0.850 136 R HN 0.291 nan 8.270 nan 0.000 0.433 137 N N 0.149 118.543 118.700 -0.511 0.000 2.149 137 N HA -0.147 3.603 4.740 -1.649 0.000 0.188 137 N C 1.361 176.688 175.510 -0.304 0.000 1.019 137 N CA 1.667 54.440 53.050 -0.462 0.000 0.857 137 N CB -0.147 37.805 38.487 -0.892 0.000 0.997 137 N HN 0.375 nan 8.380 nan 0.000 0.426 138 A N -0.708 121.937 122.820 -0.292 0.000 2.239 138 A HA 0.289 3.620 4.320 -1.649 0.000 0.209 138 A C 1.549 179.058 177.584 -0.125 0.000 1.171 138 A CA 0.831 52.765 52.037 -0.172 0.000 0.768 138 A CB -0.935 17.976 19.000 -0.149 0.000 0.790 138 A HN 0.510 nan 8.150 nan 0.000 0.478 139 G N -2.043 106.671 108.800 -0.144 0.000 2.179 139 G HA2 -0.103 2.868 3.960 -1.649 0.000 0.257 139 G HA3 -0.103 2.868 3.960 -1.649 0.000 0.257 139 G C 0.912 175.763 174.900 -0.082 0.000 1.010 139 G CA 0.704 45.742 45.100 -0.104 0.000 0.736 139 G HN 1.459 nan 8.290 nan 0.000 0.513 140 A N -0.814 121.951 122.820 -0.092 0.000 2.218 140 A HA 0.603 3.934 4.320 -1.649 0.000 0.209 140 A C 1.141 178.717 177.584 -0.013 0.000 1.168 140 A CA 0.646 52.655 52.037 -0.047 0.000 0.804 140 A CB 0.137 19.107 19.000 -0.050 0.000 0.834 140 A HN 0.739 nan 8.150 nan 0.000 0.482 141 L N 1.437 122.638 121.223 -0.037 0.000 2.313 141 L HA 0.417 3.768 4.340 -1.649 0.000 0.273 141 L C -0.994 175.897 176.870 0.035 0.000 1.028 141 L CA -0.301 54.554 54.840 0.024 0.000 0.871 141 L CB 1.010 43.063 42.059 -0.010 0.000 1.242 141 L HN 0.174 nan 8.230 nan 0.000 0.434 142 I N 4.672 125.281 120.570 0.065 0.000 2.337 142 I HA 0.141 3.322 4.170 -1.649 0.000 0.291 142 I C -1.219 174.958 176.117 0.100 0.000 1.046 142 I CA -1.511 59.824 61.300 0.058 0.000 1.324 142 I CB 1.100 39.127 38.000 0.045 0.000 1.409 142 I HN 0.343 nan 8.210 nan 0.000 0.494 143 P HA -0.102 nan 4.420 nan 0.000 0.216 143 P C 1.440 178.813 177.300 0.123 0.000 1.153 143 P CA 0.868 64.034 63.100 0.111 0.000 0.848 143 P CB 0.269 32.016 31.700 0.079 0.000 0.787 144 G N -1.082 107.777 108.800 0.098 0.000 2.985 144 G HA2 0.249 3.220 3.960 -1.649 0.000 0.209 144 G HA3 0.249 3.220 3.960 -1.649 0.000 0.209 144 G C 0.472 175.456 174.900 0.139 0.000 1.165 144 G CA 0.181 45.347 45.100 0.111 0.000 0.776 144 G HN 0.413 nan 8.290 nan 0.000 0.541 145 A N 0.414 123.315 122.820 0.136 0.000 2.488 145 A HA 0.514 3.845 4.320 -1.649 0.000 0.249 145 A C 0.743 178.381 177.584 0.091 0.000 1.083 145 A CA 0.116 52.215 52.037 0.105 0.000 0.768 145 A CB 0.195 19.256 19.000 0.101 0.000 1.017 145 A HN 0.156 nan 8.150 nan 0.000 0.496 146 T N 3.073 117.620 114.554 -0.012 0.000 2.918 146 T HA 0.381 3.742 4.350 -1.649 0.000 0.302 146 T C -2.354 172.159 174.700 -0.311 0.000 1.045 146 T CA -1.076 60.884 62.100 -0.232 0.000 1.114 146 T CB -0.071 68.691 68.868 -0.177 0.000 0.965 146 T HN 0.442 nan 8.240 nan 0.000 0.540 147 P HA 0.153 nan 4.420 nan 0.000 0.261 147 P C -0.103 176.938 177.300 -0.432 0.000 1.183 147 P CA 0.336 62.927 63.100 -0.848 0.000 0.761 147 P CB 0.208 31.322 31.700 -0.978 0.000 0.785 148 N N 2.103 120.720 118.700 -0.137 0.000 2.066 148 N HA 0.017 3.768 4.740 -1.649 0.000 0.223 148 N C -1.224 174.390 175.510 0.174 0.000 1.403 148 N CA -0.126 52.942 53.050 0.030 0.000 0.766 148 N CB -0.669 37.819 38.487 0.001 0.000 1.207 148 N HN 0.156 nan 8.380 nan 0.000 0.545 149 L N 1.766 123.235 121.223 0.409 0.000 2.255 149 L HA 0.574 3.925 4.340 -1.649 0.000 0.289 149 L C -0.892 176.011 176.870 0.055 0.000 1.046 149 L CA -0.660 54.299 54.840 0.199 0.000 0.816 149 L CB 1.325 43.446 42.059 0.103 0.000 1.197 149 L HN -0.012 nan 8.230 nan 0.000 0.427 150 V N 6.242 126.165 119.914 0.015 0.000 2.370 150 V HA 0.358 3.489 4.120 -1.649 0.000 0.283 150 V C 0.016 176.030 176.094 -0.134 0.000 1.023 150 V CA -0.743 61.513 62.300 -0.074 0.000 0.857 150 V CB 1.643 33.427 31.823 -0.065 0.000 0.985 150 V HN 0.465 nan 8.190 nan 0.000 0.443 151 V N 4.574 124.323 119.914 -0.275 0.000 2.530 151 V HA 0.228 3.359 4.120 -1.649 0.000 0.282 151 V C 0.128 175.900 176.094 -0.537 0.000 1.048 151 V CA -0.145 61.893 62.300 -0.438 0.000 0.997 151 V CB 1.215 32.612 31.823 -0.710 0.000 0.987 151 V HN 1.005 nan 8.190 nan 0.000 0.477 152 C N 5.785 124.856 119.300 -0.381 0.000 2.322 152 C HA 0.624 4.095 4.460 -1.649 0.000 0.324 152 C C -0.535 174.393 174.990 -0.103 0.000 1.284 152 C CA -1.078 57.812 59.018 -0.213 0.000 1.606 152 C CB 0.510 28.282 27.740 0.052 0.000 2.251 152 C HN 0.838 nan 8.230 nan 0.000 0.502 153 W N 1.822 123.061 121.300 -0.101 0.000 2.761 153 W HA 0.736 4.406 4.660 -1.651 0.000 0.340 153 W C 0.301 176.871 176.519 0.085 0.000 1.072 153 W CA -0.355 56.941 57.345 -0.081 0.000 1.215 153 W CB 1.824 31.174 29.460 -0.183 0.000 1.420 153 W HN 1.059 nan 8.180 nan 0.000 0.519 154 G N -0.135 108.838 108.800 0.288 0.000 2.328 154 G HA2 0.433 3.404 3.960 -1.649 0.000 0.295 154 G HA3 0.433 3.404 3.960 -1.649 0.000 0.295 154 G C -0.733 174.207 174.900 0.067 0.000 1.413 154 G CA -0.393 44.838 45.100 0.219 0.000 0.817 154 G HN 0.604 nan 8.290 nan 0.000 0.546 155 G N -0.828 107.955 108.800 -0.029 0.000 2.432 155 G HA2 0.403 3.374 3.960 -1.649 0.000 0.239 155 G HA3 0.403 3.374 3.960 -1.649 0.000 0.239 155 G C 1.017 175.898 174.900 -0.032 0.000 1.291 155 G CA 0.686 45.733 45.100 -0.088 0.000 0.863 155 G HN 1.169 nan 8.290 nan 0.000 0.560 156 H N 0.151 119.174 119.070 -0.079 0.000 2.502 156 H HA 0.046 3.614 4.556 -1.647 0.000 0.283 156 H C 0.558 175.851 175.328 -0.058 0.000 1.015 156 H CA 0.984 57.003 56.048 -0.049 0.000 1.298 156 H CB 0.409 30.149 29.762 -0.037 0.000 1.411 156 H HN 0.294 nan 8.280 nan 0.000 0.556 157 S N 1.538 116.876 115.700 -0.603 0.000 2.622 157 S HA 0.530 4.011 4.470 -1.649 0.000 0.283 157 S C -0.281 174.148 174.600 -0.285 0.000 1.197 157 S CA -0.867 57.045 58.200 -0.480 0.000 1.146 157 S CB -0.689 62.161 63.200 -0.583 0.000 1.007 157 S HN 0.460 nan 8.310 nan 0.000 0.478 158 I N 1.938 122.396 120.570 -0.187 0.000 2.828 158 I HA 0.701 3.882 4.170 -1.649 0.000 0.302 158 I C -0.264 175.791 176.117 -0.104 0.000 1.101 158 I CA -1.242 59.972 61.300 -0.143 0.000 1.031 158 I CB 1.930 39.863 38.000 -0.112 0.000 1.231 158 I HN 0.499 nan 8.210 nan 0.000 0.427 159 N N 2.150 120.793 118.700 -0.094 0.000 2.364 159 N HA 0.100 3.851 4.740 -1.649 0.000 0.264 159 N C 0.541 176.029 175.510 -0.036 0.000 1.263 159 N CA -0.197 52.808 53.050 -0.076 0.000 0.959 159 N CB 0.443 38.888 38.487 -0.070 0.000 1.204 159 N HN 0.798 nan 8.380 nan 0.000 0.550 160 E N -0.556 119.621 120.200 -0.039 0.000 2.106 160 E HA -0.039 3.322 4.350 -1.649 0.000 0.192 160 E C 1.475 178.101 176.600 0.044 0.000 0.984 160 E CA 0.793 57.188 56.400 -0.008 0.000 0.806 160 E CB -0.509 29.168 29.700 -0.038 0.000 0.750 160 E HN 0.448 nan 8.360 nan 0.000 0.458 161 V N 1.008 120.931 119.914 0.015 0.000 2.343 161 V HA -0.229 2.902 4.120 -1.649 0.000 0.247 161 V C 2.105 178.224 176.094 0.042 0.000 1.051 161 V CA 2.172 64.488 62.300 0.026 0.000 1.036 161 V CB -0.459 31.365 31.823 0.002 0.000 0.654 161 V HN 0.313 nan 8.190 nan 0.000 0.451 162 E N -1.107 119.095 120.200 0.003 0.000 2.106 162 E HA -0.241 3.120 4.350 -1.649 0.000 0.192 162 E C 2.086 178.678 176.600 -0.014 0.000 0.984 162 E CA 1.547 57.935 56.400 -0.020 0.000 0.806 162 E CB -0.202 29.441 29.700 -0.096 0.000 0.750 162 E HN 0.747 nan 8.360 nan 0.000 0.458 163 Y N 1.789 122.019 120.300 -0.116 0.000 2.163 163 Y HA -0.287 3.273 4.550 -1.650 0.000 0.288 163 Y C 2.600 178.424 175.900 -0.126 0.000 1.136 163 Y CA 2.003 60.015 58.100 -0.147 0.000 1.147 163 Y CB -0.078 38.308 38.460 -0.123 0.000 0.987 163 Y HN -0.041 nan 8.280 nan 0.000 0.509 164 Q N -0.410 119.443 119.800 0.089 0.000 2.112 164 Q HA -0.301 3.050 4.340 -1.649 0.000 0.206 164 Q C 2.081 178.045 176.000 -0.060 0.000 0.987 164 Q CA 2.372 58.183 55.803 0.014 0.000 0.858 164 Q CB -1.120 27.653 28.738 0.058 0.000 0.905 164 Q HN 0.697 nan 8.270 nan 0.000 0.420 165 Y N 0.511 120.736 120.300 -0.125 0.000 2.200 165 Y HA -0.176 3.385 4.550 -1.649 0.000 0.290 165 Y C 2.364 178.149 175.900 -0.191 0.000 1.137 165 Y CA 2.370 60.410 58.100 -0.099 0.000 1.163 165 Y CB -0.601 37.837 38.460 -0.036 0.000 0.988 165 Y HN 0.401 nan 8.280 nan 0.000 0.518 166 T N -1.405 112.937 114.554 -0.352 0.000 2.788 166 T HA -0.240 3.121 4.350 -1.649 0.000 0.268 166 T C 2.087 176.498 174.700 -0.482 0.000 1.044 166 T CA 1.509 63.154 62.100 -0.759 0.000 1.139 166 T CB -0.529 67.640 68.868 -1.166 0.000 0.867 166 T HN 0.414 nan 8.240 nan 0.000 0.454 167 R N 1.099 121.330 120.500 -0.448 0.000 2.096 167 R HA -0.074 3.277 4.340 -1.649 0.000 0.235 167 R C 2.440 178.607 176.300 -0.222 0.000 1.127 167 R CA 1.639 57.542 56.100 -0.329 0.000 0.968 167 R CB -0.207 29.918 30.300 -0.292 0.000 0.861 167 R HN 0.603 nan 8.270 nan 0.000 0.440 168 E N -0.304 119.748 120.200 -0.247 0.000 2.110 168 E HA -0.146 3.215 4.350 -1.649 0.000 0.193 168 E C 1.968 178.460 176.600 -0.181 0.000 0.988 168 E CA 1.372 57.643 56.400 -0.215 0.000 0.804 168 E CB 0.110 29.650 29.700 -0.267 0.000 0.745 168 E HN 0.155 nan 8.360 nan 0.000 0.458 169 V N 0.730 120.499 119.914 -0.241 0.000 2.358 169 V HA -0.185 2.946 4.120 -1.649 0.000 0.246 169 V C 2.336 178.389 176.094 -0.069 0.000 1.047 169 V CA 1.950 64.179 62.300 -0.118 0.000 1.035 169 V CB -0.897 30.975 31.823 0.082 0.000 0.658 169 V HN 0.412 nan 8.190 nan 0.000 0.452 170 G N -0.930 107.820 108.800 -0.084 0.000 2.440 170 G HA2 -0.339 2.632 3.960 -1.649 0.000 0.218 170 G HA3 -0.339 2.632 3.960 -1.649 0.000 0.218 170 G C 1.574 176.393 174.900 -0.136 0.000 1.154 170 G CA 1.161 46.191 45.100 -0.118 0.000 0.767 170 G HN 0.614 nan 8.290 nan 0.000 0.552 171 H N 0.619 119.575 119.070 -0.190 0.000 2.353 171 H HA -0.018 3.549 4.556 -1.649 0.000 0.300 171 H C 2.251 177.479 175.328 -0.167 0.000 1.090 171 H CA 1.549 57.492 56.048 -0.176 0.000 1.327 171 H CB 0.141 29.816 29.762 -0.144 0.000 1.383 171 H HN 0.232 nan 8.280 nan 0.000 0.508 172 E N 0.840 120.970 120.200 -0.116 0.000 2.204 172 E HA -0.078 3.283 4.350 -1.649 0.000 0.194 172 E C 2.702 179.191 176.600 -0.185 0.000 0.989 172 E CA 0.273 56.580 56.400 -0.154 0.000 0.824 172 E CB -0.079 29.571 29.700 -0.083 0.000 0.756 172 E HN 0.539 nan 8.360 nan 0.000 0.477 173 L N -0.134 120.984 121.223 -0.175 0.000 2.072 173 L HA -0.045 3.306 4.340 -1.649 0.000 0.205 173 L C 2.483 179.200 176.870 -0.255 0.000 1.079 173 L CA 1.214 55.955 54.840 -0.164 0.000 0.752 173 L CB -0.814 41.179 42.059 -0.110 0.000 0.906 173 L HN 0.171 nan 8.230 nan 0.000 0.436 174 G N 0.426 108.969 108.800 -0.428 0.000 2.446 174 G HA2 -0.243 2.728 3.960 -1.649 0.000 0.217 174 G HA3 -0.243 2.728 3.960 -1.649 0.000 0.217 174 G C 1.612 176.281 174.900 -0.385 0.000 1.168 174 G CA 0.582 45.229 45.100 -0.755 0.000 0.771 174 G HN 0.236 nan 8.290 nan 0.000 0.551 175 L N -0.572 120.435 121.223 -0.361 0.000 2.261 175 L HA -0.030 3.321 4.340 -1.649 0.000 0.216 175 L C 2.620 179.385 176.870 -0.175 0.000 1.114 175 L CA 0.878 55.565 54.840 -0.256 0.000 0.777 175 L CB -0.122 41.764 42.059 -0.288 0.000 0.910 175 L HN 0.164 nan 8.230 nan 0.000 0.440 176 R N -0.348 120.041 120.500 -0.185 0.000 2.507 176 R HA 0.109 3.460 4.340 -1.649 0.000 0.298 176 R C -0.171 176.010 176.300 -0.198 0.000 0.999 176 R CA -0.094 55.913 56.100 -0.154 0.000 1.082 176 R CB 0.338 30.561 30.300 -0.127 0.000 1.246 176 R HN 0.176 nan 8.270 nan 0.000 0.553 177 E N 0.665 120.697 120.200 -0.280 0.000 2.476 177 E HA -0.226 3.135 4.350 -1.649 0.000 0.251 177 E C -0.826 175.514 176.600 -0.433 0.000 1.130 177 E CA 0.395 56.401 56.400 -0.658 0.000 0.736 177 E CB -1.361 27.972 29.700 -0.613 0.000 1.298 177 E HN 0.358 nan 8.360 nan 0.000 0.400 178 L N 0.517 121.659 121.223 -0.134 0.000 2.343 178 L HA 0.409 3.760 4.340 -1.649 0.000 0.275 178 L C 0.842 177.833 176.870 0.201 0.000 1.056 178 L CA -0.845 53.998 54.840 0.004 0.000 0.804 178 L CB 0.856 42.904 42.059 -0.018 0.000 1.203 178 L HN 0.001 nan 8.230 nan 0.000 0.440 179 N N 1.729 120.553 118.700 0.206 0.000 2.476 179 N HA 0.609 4.359 4.740 -1.649 0.000 0.276 179 N C -0.828 174.831 175.510 0.248 0.000 1.204 179 N CA -0.391 52.846 53.050 0.311 0.000 0.974 179 N CB 2.075 40.719 38.487 0.261 0.000 1.204 179 N HN 0.376 nan 8.380 nan 0.000 0.543 180 I N 0.447 121.205 120.570 0.313 0.000 2.436 180 I HA 0.269 3.450 4.170 -1.649 0.000 0.289 180 I C -0.445 175.790 176.117 0.197 0.000 1.010 180 I CA -0.706 60.711 61.300 0.196 0.000 1.098 180 I CB 1.864 39.954 38.000 0.150 0.000 1.266 180 I HN 0.311 nan 8.210 nan 0.000 0.434 181 C N 5.304 124.677 119.300 0.121 0.000 2.417 181 C HA 0.881 4.352 4.460 -1.649 0.000 0.324 181 C C 0.040 175.139 174.990 0.180 0.000 1.240 181 C CA 0.182 59.304 59.018 0.173 0.000 1.632 181 C CB 1.061 28.902 27.740 0.167 0.000 2.241 181 C HN 0.942 nan 8.230 nan 0.000 0.499 182 T N 2.629 117.370 114.554 0.313 0.000 2.711 182 T HA 0.632 3.992 4.350 -1.649 0.000 0.302 182 T C 0.251 175.246 174.700 0.491 0.000 1.373 182 T CA 0.412 62.702 62.100 0.317 0.000 1.000 182 T CB 0.956 69.921 68.868 0.161 0.000 1.483 182 T HN 1.162 nan 8.240 nan 0.000 0.499 183 G N -0.033 109.034 108.800 0.445 0.000 2.570 183 G HA2 0.448 3.419 3.960 -1.649 0.000 0.276 183 G HA3 0.448 3.419 3.960 -1.649 0.000 0.276 183 G C 0.030 175.046 174.900 0.192 0.000 1.346 183 G CA -0.193 45.131 45.100 0.373 0.000 1.034 183 G HN 0.935 nan 8.290 nan 0.000 0.512 184 C N -1.583 117.790 119.300 0.121 0.000 2.401 184 C HA 0.993 4.464 4.460 -1.649 0.000 0.356 184 C C 0.925 175.951 174.990 0.060 0.000 1.192 184 C CA 0.838 59.896 59.018 0.067 0.000 2.028 184 C CB 0.597 28.348 27.740 0.020 0.000 2.344 184 C HN 1.591 nan 8.230 nan 0.000 0.525 185 G N 2.157 110.989 108.800 0.052 0.000 2.409 185 G HA2 0.078 3.049 3.960 -1.649 0.000 0.421 185 G HA3 0.078 3.049 3.960 -1.649 0.000 0.421 185 G C -3.222 171.717 174.900 0.065 0.000 1.259 185 G CA -0.286 44.842 45.100 0.046 0.000 1.011 185 G HN 0.577 nan 8.290 nan 0.000 0.497 186 P HA 0.616 nan 4.420 nan 0.000 0.336 186 P C 1.278 178.647 177.300 0.115 0.000 1.288 186 P CA 1.376 64.523 63.100 0.078 0.000 0.766 186 P CB 0.683 32.398 31.700 0.024 0.000 1.461 187 G N -0.205 108.685 108.800 0.150 0.000 2.611 187 G HA2 -0.189 2.782 3.960 -1.649 0.000 0.301 187 G HA3 -0.189 2.782 3.960 -1.649 0.000 0.301 187 G C 0.506 175.465 174.900 0.099 0.000 1.233 187 G CA 0.613 45.827 45.100 0.191 0.000 0.993 187 G HN 0.812 nan 8.290 nan 0.000 0.553 191 G N 2.095 110.669 108.800 -0.376 0.000 2.514 191 G HA2 -0.080 2.891 3.960 -1.649 0.000 0.217 191 G HA3 -0.080 2.891 3.960 -1.649 0.000 0.217 191 G C -1.460 173.173 174.900 -0.445 0.000 1.198 191 G CA 1.421 46.074 45.100 -0.745 0.000 0.780 191 G HN 0.280 nan 8.290 nan 0.000 0.565 195 G N 1.575 110.280 108.800 -0.159 0.000 2.402 195 G HA2 -0.187 2.784 3.960 -1.649 0.000 0.216 195 G HA3 -0.187 2.784 3.960 -1.649 0.000 0.216 195 G C 1.519 176.375 174.900 -0.073 0.000 1.162 195 G CA 1.275 46.318 45.100 -0.094 0.000 0.777 195 G HN 0.320 nan 8.290 nan 0.000 0.539 196 A N 1.111 123.827 122.820 -0.174 0.000 1.969 196 A HA 0.334 3.665 4.320 -1.649 0.000 0.218 196 A C 2.788 180.328 177.584 -0.075 0.000 1.169 196 A CA 1.975 53.870 52.037 -0.236 0.000 0.635 196 A CB -0.680 18.169 19.000 -0.252 0.000 0.810 196 A HN 0.760 nan 8.150 nan 0.000 0.445 197 A N -0.410 122.416 122.820 0.010 0.000 1.917 197 A HA -0.069 3.262 4.320 -1.649 0.000 0.219 197 A C 2.227 179.829 177.584 0.029 0.000 1.182 197 A CA 2.003 54.070 52.037 0.050 0.000 0.633 197 A CB -0.878 18.140 19.000 0.029 0.000 0.819 197 A HN 0.393 nan 8.150 nan 0.000 0.448 198 V N -0.412 119.522 119.914 0.034 0.000 2.323 198 V HA -0.118 3.013 4.120 -1.649 0.000 0.244 198 V C 2.825 178.959 176.094 0.068 0.000 1.041 198 V CA 1.908 64.255 62.300 0.079 0.000 1.025 198 V CB -1.406 30.488 31.823 0.119 0.000 0.656 198 V HN 0.602 nan 8.190 nan 0.000 0.451 199 G N -1.371 107.410 108.800 -0.032 0.000 2.408 199 G HA2 -0.247 2.723 3.960 -1.649 0.000 0.217 199 G HA3 -0.247 2.723 3.960 -1.649 0.000 0.217 199 G C 1.370 176.191 174.900 -0.131 0.000 1.150 199 G CA 0.962 45.887 45.100 -0.292 0.000 0.776 199 G HN 0.627 nan 8.290 nan 0.000 0.542 200 H N 0.214 119.280 119.070 -0.008 0.000 2.389 200 H HA 0.144 3.711 4.556 -1.649 0.000 0.299 200 H C 2.912 178.287 175.328 0.079 0.000 1.081 200 H CA 0.646 56.740 56.048 0.076 0.000 1.345 200 H CB 0.193 30.035 29.762 0.134 0.000 1.393 200 H HN 0.423 nan 8.280 nan 0.000 0.520 201 A N 1.272 124.188 122.820 0.160 0.000 1.933 201 A HA -0.185 3.146 4.320 -1.649 0.000 0.218 201 A C 2.054 179.688 177.584 0.083 0.000 1.175 201 A CA 1.474 53.572 52.037 0.103 0.000 0.628 201 A CB -0.219 18.820 19.000 0.065 0.000 0.814 201 A HN 0.323 nan 8.150 nan 0.000 0.444 202 K N -1.180 119.258 120.400 0.062 0.000 2.147 202 K HA -0.135 3.196 4.320 -1.649 0.000 0.205 202 K C 1.930 178.557 176.600 0.045 0.000 1.049 202 K CA 1.390 57.702 56.287 0.042 0.000 0.936 202 K CB -0.033 32.480 32.500 0.020 0.000 0.722 202 K HN 0.319 nan 8.250 nan 0.000 0.446 203 Q N 0.412 120.252 119.800 0.066 0.000 2.360 203 Q HA 0.063 3.414 4.340 -1.649 0.000 0.202 203 Q C -0.563 175.518 176.000 0.136 0.000 0.915 203 Q CA 0.205 56.058 55.803 0.084 0.000 0.943 203 Q CB 0.307 29.088 28.738 0.073 0.000 1.064 203 Q HN 0.079 nan 8.270 nan 0.000 0.511 204 R N -0.820 119.758 120.500 0.130 0.000 3.516 204 R HA -0.266 3.085 4.340 -1.649 0.000 0.271 204 R C -0.899 175.496 176.300 0.158 0.000 1.098 204 R CA 0.505 56.676 56.100 0.119 0.000 0.732 204 R CB -2.963 27.382 30.300 0.076 0.000 1.152 204 R HN 0.292 nan 8.270 nan 0.000 0.455 205 Y N 1.618 121.958 120.300 0.067 0.000 2.632 205 Y HA 0.113 3.674 4.550 -1.649 0.000 0.336 205 Y C 1.461 177.377 175.900 0.027 0.000 1.237 205 Y CA -0.129 57.987 58.100 0.027 0.000 1.595 205 Y CB 0.163 38.649 38.460 0.044 0.000 1.508 205 Y HN 0.229 nan 8.280 nan 0.000 0.480 206 S N 0.782 116.388 115.700 -0.157 0.000 2.522 206 S HA -0.122 3.359 4.470 -1.649 0.000 0.227 206 S C 1.154 175.571 174.600 -0.305 0.000 0.986 206 S CA 0.683 58.826 58.200 -0.095 0.000 0.929 206 S CB -0.169 62.984 63.200 -0.077 0.000 0.769 206 S HN 0.749 nan 8.310 nan 0.000 0.529 207 E N 1.626 121.465 120.200 -0.602 0.000 2.359 207 E HA 0.008 3.369 4.350 -1.649 0.000 0.187 207 E C -0.053 176.140 176.600 -0.680 0.000 1.081 207 E CA -0.854 55.158 56.400 -0.646 0.000 0.929 207 E CB -1.096 28.250 29.700 -0.589 0.000 1.086 207 E HN 0.815 nan 8.360 nan 0.000 0.462 208 Y N 0.868 120.822 120.300 -0.575 0.000 2.683 208 Y HA 0.265 3.826 4.550 -1.649 0.000 0.340 208 Y C -0.051 175.620 175.900 -0.382 0.000 1.245 208 Y CA -0.752 57.071 58.100 -0.462 0.000 1.485 208 Y CB 0.509 38.540 38.460 -0.715 0.000 1.328 208 Y HN -0.168 nan 8.280 nan 0.000 0.603 209 R N 3.148 123.556 120.500 -0.155 0.000 2.476 209 R HA 0.336 3.687 4.340 -1.649 0.000 0.305 209 R C -1.957 174.464 176.300 0.202 0.000 0.965 209 R CA -0.905 55.137 56.100 -0.097 0.000 0.867 209 R CB 1.270 31.572 30.300 0.004 0.000 1.176 209 R HN 0.630 nan 8.270 nan 0.000 0.447 210 Y N 3.527 123.956 120.300 0.215 0.000 2.712 210 Y HA 0.327 3.886 4.550 -1.650 0.000 0.328 210 Y C -0.456 175.536 175.900 0.153 0.000 0.995 210 Y CA -1.268 56.965 58.100 0.221 0.000 1.283 210 Y CB 0.782 39.404 38.460 0.270 0.000 1.092 210 Y HN 0.349 nan 8.280 nan 0.000 0.519 211 L N 2.302 123.693 121.223 0.280 0.000 2.312 211 L HA 0.770 4.121 4.340 -1.649 0.000 0.281 211 L C 0.717 177.694 176.870 0.178 0.000 1.070 211 L CA -0.121 54.827 54.840 0.180 0.000 0.805 211 L CB 1.577 43.719 42.059 0.139 0.000 1.174 211 L HN 0.707 nan 8.230 nan 0.000 0.434 212 G N 4.516 113.388 108.800 0.121 0.000 2.644 212 G HA2 0.634 3.605 3.960 -1.649 0.000 0.300 212 G HA3 0.634 3.605 3.960 -1.649 0.000 0.300 212 G C -1.166 173.757 174.900 0.039 0.000 1.395 212 G CA -0.447 44.715 45.100 0.104 0.000 0.964 212 G HN 0.387 nan 8.290 nan 0.000 0.511 213 L N 1.880 123.135 121.223 0.054 0.000 2.317 213 L HA 0.743 4.094 4.340 -1.649 0.000 0.281 213 L C 0.491 177.330 176.870 -0.052 0.000 1.024 213 L CA -0.649 54.140 54.840 -0.085 0.000 0.810 213 L CB 2.163 44.008 42.059 -0.356 0.000 1.240 213 L HN 0.559 nan 8.230 nan 0.000 0.427 214 T N 1.243 115.753 114.554 -0.073 0.000 2.669 214 T HA 0.667 4.028 4.350 -1.649 0.000 0.283 214 T C -1.705 172.964 174.700 -0.052 0.000 1.019 214 T CA -0.381 61.692 62.100 -0.045 0.000 1.039 214 T CB 2.050 70.899 68.868 -0.031 0.000 1.374 214 T HN 0.779 nan 8.240 nan 0.000 0.523 215 E N -0.441 119.741 120.200 -0.030 0.000 2.412 215 E HA 0.527 3.888 4.350 -1.649 0.000 0.279 215 E C -2.679 173.917 176.600 -0.007 0.000 0.984 215 E CA -1.482 54.907 56.400 -0.018 0.000 0.788 215 E CB 1.036 30.726 29.700 -0.016 0.000 1.277 215 E HN 0.186 nan 8.360 nan 0.000 0.455 216 P HA -0.108 nan 4.420 nan 0.000 0.220 216 P C 0.755 178.057 177.300 0.003 0.000 1.148 216 P CA 1.602 64.704 63.100 0.003 0.000 0.803 216 P CB 0.148 31.858 31.700 0.016 0.000 0.782 217 S N -2.456 113.249 115.700 0.009 0.000 2.575 217 S HA 0.154 3.635 4.470 -1.649 0.000 0.215 217 S C 1.455 176.061 174.600 0.011 0.000 0.966 217 S CA -0.061 58.147 58.200 0.014 0.000 0.911 217 S CB -0.764 62.450 63.200 0.023 0.000 0.780 217 S HN 0.105 nan 8.310 nan 0.000 0.514 218 I N -0.301 120.270 120.570 0.002 0.000 4.526 218 I HA 0.387 3.568 4.170 -1.649 0.000 0.330 218 I C 1.478 177.590 176.117 -0.008 0.000 1.323 218 I CA -0.050 61.246 61.300 -0.005 0.000 1.218 218 I CB 0.260 38.253 38.000 -0.011 0.000 1.233 218 I HN 0.248 nan 8.210 nan 0.000 0.430 219 I N 1.184 121.749 120.570 -0.009 0.000 2.286 219 I HA -0.275 2.906 4.170 -1.649 0.000 0.248 219 I C 2.468 178.586 176.117 0.002 0.000 1.115 219 I CA 1.756 63.049 61.300 -0.011 0.000 1.392 219 I CB 0.106 38.090 38.000 -0.026 0.000 1.065 219 I HN 0.278 nan 8.210 nan 0.000 0.418 220 A N 0.497 123.315 122.820 -0.004 0.000 1.933 220 A HA -0.161 3.170 4.320 -1.649 0.000 0.218 220 A C 2.401 180.029 177.584 0.073 0.000 1.175 220 A CA 1.749 53.786 52.037 -0.000 0.000 0.628 220 A CB -0.822 18.161 19.000 -0.028 0.000 0.814 220 A HN 0.554 nan 8.150 nan 0.000 0.444 221 A N -0.845 122.012 122.820 0.061 0.000 1.970 221 A HA 0.068 3.399 4.320 -1.649 0.000 0.216 221 A C 1.037 178.663 177.584 0.070 0.000 1.170 221 A CA 0.987 53.075 52.037 0.085 0.000 0.645 221 A CB -0.053 18.952 19.000 0.007 0.000 0.816 221 A HN 0.529 nan 8.150 nan 0.000 0.447 222 E N 0.501 120.716 120.200 0.026 0.000 3.303 222 E HA 0.216 3.577 4.350 -1.649 0.000 0.215 222 E C -2.828 173.790 176.600 0.031 0.000 1.181 222 E CA -2.133 54.269 56.400 0.004 0.000 0.998 222 E CB 1.436 31.105 29.700 -0.053 0.000 1.312 222 E HN 0.353 nan 8.360 nan 0.000 0.412 223 P HA 0.161 nan 4.420 nan 0.000 0.278 223 P C -2.617 174.705 177.300 0.037 0.000 1.238 223 P CA -1.817 61.318 63.100 0.058 0.000 0.794 223 P CB 0.398 32.174 31.700 0.126 0.000 0.955 224 P HA 0.043 nan 4.420 nan 0.000 0.276 224 P C 0.140 177.501 177.300 0.102 0.000 1.243 224 P CA -0.080 63.015 63.100 -0.008 0.000 0.768 224 P CB 0.314 31.880 31.700 -0.224 0.000 0.856 225 N N 4.634 123.407 118.700 0.121 0.000 2.353 225 N HA -0.051 3.699 4.740 -1.649 0.000 0.248 225 N C -1.304 174.375 175.510 0.283 0.000 1.240 225 N CA -0.874 52.271 53.050 0.157 0.000 0.862 225 N CB 0.410 38.969 38.487 0.120 0.000 1.086 225 N HN 0.214 nan 8.380 nan 0.000 0.453 226 P HA -0.103 nan 4.420 nan 0.000 0.220 226 P C 1.524 178.901 177.300 0.128 0.000 1.144 226 P CA 0.791 63.948 63.100 0.095 0.000 0.800 226 P CB 0.201 31.908 31.700 0.012 0.000 0.772 227 I N -1.003 119.677 120.570 0.184 0.000 2.493 227 I HA -0.095 3.086 4.170 -1.649 0.000 0.254 227 I C 0.146 176.488 176.117 0.375 0.000 1.160 227 I CA 0.545 61.990 61.300 0.242 0.000 1.445 227 I CB 0.098 38.211 38.000 0.188 0.000 1.086 227 I HN -0.294 nan 8.210 nan 0.000 0.433 228 V N 4.074 124.205 119.914 0.363 0.000 2.509 228 V HA -0.113 3.018 4.120 -1.649 0.000 0.297 228 V C 0.957 177.309 176.094 0.431 0.000 1.014 228 V CA 0.643 63.179 62.300 0.395 0.000 1.127 228 V CB 0.279 32.260 31.823 0.263 0.000 0.925 228 V HN 0.584 nan 8.190 nan 0.000 0.480 229 N N 3.303 122.196 118.700 0.321 0.000 2.184 229 N HA 0.043 3.794 4.740 -1.649 0.000 0.206 229 N C 0.158 175.739 175.510 0.118 0.000 1.151 229 N CA -0.066 53.089 53.050 0.176 0.000 0.878 229 N CB 0.645 39.151 38.487 0.032 0.000 1.014 229 N HN 0.768 nan 8.380 nan 0.000 0.512 230 E N 0.915 121.200 120.200 0.141 0.000 2.731 230 E HA 0.168 3.529 4.350 -1.649 0.000 0.248 230 E C -1.372 175.271 176.600 0.071 0.000 1.084 230 E CA -0.663 55.788 56.400 0.085 0.000 0.776 230 E CB 1.388 31.113 29.700 0.042 0.000 1.404 230 E HN 0.085 nan 8.360 nan 0.000 0.395 231 L N 2.659 123.915 121.223 0.056 0.000 2.349 231 L HA 0.316 3.667 4.340 -1.649 0.000 0.275 231 L C -0.983 175.868 176.870 -0.033 0.000 1.115 231 L CA -0.185 54.622 54.840 -0.055 0.000 0.820 231 L CB 1.094 43.019 42.059 -0.223 0.000 1.135 231 L HN 0.147 nan 8.230 nan 0.000 0.445 232 V N 6.608 126.491 119.914 -0.052 0.000 2.577 232 V HA 0.445 3.576 4.120 -1.649 0.000 0.303 232 V C 0.119 176.174 176.094 -0.065 0.000 1.042 232 V CA -0.492 61.773 62.300 -0.058 0.000 0.872 232 V CB 1.544 33.321 31.823 -0.076 0.000 0.998 232 V HN 0.707 nan 8.190 nan 0.000 0.423 236 D N -1.681 118.729 120.400 0.017 0.000 2.713 236 D HA 0.200 3.851 4.640 -1.649 0.000 0.306 236 D C 0.504 176.807 176.300 0.004 0.000 1.299 236 D CA -0.829 53.184 54.000 0.021 0.000 0.823 236 D CB -0.028 40.797 40.800 0.041 0.000 1.353 236 D HN -0.263 nan 8.370 nan 0.000 0.447 237 I N 0.034 120.613 120.570 0.014 0.000 2.179 237 I HA -0.182 2.999 4.170 -1.649 0.000 0.242 237 I C 1.803 177.903 176.117 -0.028 0.000 1.088 237 I CA 1.595 62.892 61.300 -0.004 0.000 1.357 237 I CB -0.990 37.023 38.000 0.022 0.000 1.051 237 I HN 0.524 nan 8.210 nan 0.000 0.409 238 E N 1.020 121.229 120.200 0.015 0.000 2.085 238 E HA -0.211 3.150 4.350 -1.649 0.000 0.194 238 E C 2.171 178.777 176.600 0.010 0.000 0.994 238 E CA 1.314 57.728 56.400 0.024 0.000 0.801 238 E CB -0.192 29.576 29.700 0.113 0.000 0.743 238 E HN 0.421 nan 8.360 nan 0.000 0.453 239 K N 0.009 120.420 120.400 0.018 0.000 2.097 239 K HA -0.074 3.257 4.320 -1.649 0.000 0.205 239 K C 2.230 178.794 176.600 -0.060 0.000 1.050 239 K CA 0.961 57.253 56.287 0.009 0.000 0.938 239 K CB -0.081 32.431 32.500 0.020 0.000 0.718 239 K HN -0.027 nan 8.250 nan 0.000 0.442 240 R N 1.323 121.754 120.500 -0.115 0.000 2.083 240 R HA -0.134 3.217 4.340 -1.649 0.000 0.237 240 R C 2.159 178.294 176.300 -0.275 0.000 1.137 240 R CA 1.281 57.223 56.100 -0.263 0.000 0.951 240 R CB -0.309 29.837 30.300 -0.257 0.000 0.851 240 R HN 0.109 nan 8.270 nan 0.000 0.434 241 L N 0.371 121.502 121.223 -0.153 0.000 2.012 241 L HA -0.218 3.133 4.340 -1.649 0.000 0.210 241 L C 2.646 179.515 176.870 -0.002 0.000 1.073 241 L CA 1.962 56.683 54.840 -0.199 0.000 0.748 241 L CB -0.550 40.925 42.059 -0.974 0.000 0.891 241 L HN 0.381 nan 8.230 nan 0.000 0.431 242 E N 0.180 120.415 120.200 0.057 0.000 2.077 242 E HA -0.246 3.115 4.350 -1.649 0.000 0.193 242 E C 2.218 178.859 176.600 0.069 0.000 0.989 242 E CA 1.208 57.710 56.400 0.171 0.000 0.800 242 E CB -0.028 29.769 29.700 0.161 0.000 0.746 242 E HN 0.446 nan 8.360 nan 0.000 0.452 243 A N 0.418 123.235 122.820 -0.006 0.000 1.883 243 A HA -0.178 3.153 4.320 -1.649 0.000 0.217 243 A C 1.904 179.484 177.584 -0.007 0.000 1.186 243 A CA 1.464 53.473 52.037 -0.047 0.000 0.624 243 A CB -0.969 17.948 19.000 -0.138 0.000 0.822 243 A HN 0.351 nan 8.150 nan 0.000 0.444 244 F N 0.178 120.161 119.950 0.055 0.000 2.043 244 F HA -0.238 3.303 4.527 -1.644 0.000 0.297 244 F C 2.638 178.428 175.800 -0.018 0.000 1.121 244 F CA 2.030 60.069 58.000 0.065 0.000 1.199 244 F CB -1.034 38.140 39.000 0.291 0.000 0.968 244 F HN 0.197 nan 8.300 nan 0.000 0.478 245 V N -2.136 117.943 119.914 0.276 0.000 2.951 245 V HA 0.038 3.169 4.120 -1.649 0.000 0.255 245 V C 1.416 177.462 176.094 -0.080 0.000 1.088 245 V CA 0.409 62.779 62.300 0.116 0.000 1.109 245 V CB -0.651 31.304 31.823 0.221 0.000 0.724 245 V HN 0.076 nan 8.190 nan 0.000 0.471 249 H N 0.961 119.996 119.070 -0.059 0.000 2.654 249 H HA 0.471 4.038 4.556 -1.648 0.000 0.264 249 H C 1.116 176.394 175.328 -0.084 0.000 0.954 249 H CA 0.901 56.915 56.048 -0.057 0.000 1.199 249 H CB 1.107 30.842 29.762 -0.045 0.000 1.446 249 H HN 1.041 nan 8.280 nan 0.000 0.516 250 G N -0.085 108.682 108.800 -0.056 0.000 2.623 250 G HA2 0.534 3.505 3.960 -1.649 0.000 0.290 250 G HA3 0.534 3.505 3.960 -1.649 0.000 0.290 250 G C -1.753 173.027 174.900 -0.201 0.000 1.437 250 G CA -0.708 44.332 45.100 -0.100 0.000 0.798 250 G HN 0.058 nan 8.290 nan 0.000 0.488 251 I N 0.536 120.969 120.570 -0.230 0.000 2.569 251 I HA 0.447 3.628 4.170 -1.649 0.000 0.290 251 I C -0.730 175.207 176.117 -0.301 0.000 1.088 251 I CA -0.694 60.387 61.300 -0.366 0.000 1.047 251 I CB 2.393 40.121 38.000 -0.453 0.000 1.237 251 I HN 0.224 nan 8.210 nan 0.000 0.421 252 I N 6.679 127.032 120.570 -0.362 0.000 2.404 252 I HA 0.484 3.665 4.170 -1.649 0.000 0.293 252 I C -0.641 175.231 176.117 -0.407 0.000 0.992 252 I CA -0.594 60.474 61.300 -0.387 0.000 1.149 252 I CB 1.934 39.660 38.000 -0.457 0.000 1.315 252 I HN 0.342 nan 8.210 nan 0.000 0.446 253 I N 6.063 126.444 120.570 -0.315 0.000 2.418 253 I HA 0.371 3.552 4.170 -1.649 0.000 0.287 253 I C -0.664 175.418 176.117 -0.058 0.000 1.008 253 I CA -0.416 60.831 61.300 -0.089 0.000 1.104 253 I CB 1.254 39.317 38.000 0.106 0.000 1.264 253 I HN 0.308 nan 8.210 nan 0.000 0.438 254 F N 6.022 126.085 119.950 0.189 0.000 2.411 254 F HA 0.521 4.058 4.527 -1.650 0.000 0.324 254 F C -2.000 173.855 175.800 0.092 0.000 1.086 254 F CA -2.436 55.683 58.000 0.197 0.000 1.028 254 F CB 0.071 39.123 39.000 0.086 0.000 1.284 254 F HN 0.186 nan 8.300 nan 0.000 0.501 255 P HA 0.264 nan 4.420 nan 0.000 0.266 255 P C -0.377 176.703 177.300 -0.367 0.000 1.195 255 P CA 0.242 62.911 63.100 -0.718 0.000 0.768 255 P CB 0.521 31.457 31.700 -1.274 0.000 0.838 256 G N 0.620 109.217 108.800 -0.339 0.000 2.663 256 G HA2 0.595 3.566 3.960 -1.649 0.000 0.299 256 G HA3 0.595 3.566 3.960 -1.649 0.000 0.299 256 G C -0.528 174.034 174.900 -0.565 0.000 1.372 256 G CA -0.247 44.665 45.100 -0.313 0.000 0.781 256 G HN 0.590 nan 8.290 nan 0.000 0.491 257 G N -0.930 107.491 108.800 -0.632 0.000 2.945 257 G HA2 0.637 3.608 3.960 -1.649 0.000 0.156 257 G HA3 0.637 3.608 3.960 -1.649 0.000 0.156 257 G C -0.902 173.451 174.900 -0.911 0.000 1.375 257 G CA -0.013 44.403 45.100 -1.141 0.000 1.039 257 G HN 0.470 nan 8.290 nan 0.000 0.586 258 P HA -0.018 nan 4.420 nan 0.000 0.221 258 P C 1.771 179.009 177.300 -0.104 0.000 1.150 258 P CA 1.645 64.730 63.100 -0.025 0.000 0.800 258 P CB -0.151 31.705 31.700 0.260 0.000 0.787 259 G N 0.078 108.804 108.800 -0.122 0.000 2.402 259 G HA2 -0.184 2.787 3.960 -1.649 0.000 0.216 259 G HA3 -0.184 2.787 3.960 -1.649 0.000 0.216 259 G C 1.493 176.241 174.900 -0.254 0.000 1.162 259 G CA 1.235 46.252 45.100 -0.138 0.000 0.777 259 G HN 0.199 nan 8.290 nan 0.000 0.539 260 T N 1.567 115.963 114.554 -0.263 0.000 2.857 260 T HA 0.114 3.474 4.350 -1.649 0.000 0.266 260 T C 2.796 177.321 174.700 -0.292 0.000 1.048 260 T CA 1.229 63.167 62.100 -0.270 0.000 1.139 260 T CB -0.240 68.528 68.868 -0.166 0.000 0.874 260 T HN 0.352 nan 8.240 nan 0.000 0.455 261 A N 1.627 124.226 122.820 -0.369 0.000 1.877 261 A HA -0.149 3.182 4.320 -1.649 0.000 0.216 261 A C 2.216 179.558 177.584 -0.404 0.000 1.186 261 A CA 1.889 53.622 52.037 -0.507 0.000 0.620 261 A CB -0.680 17.680 19.000 -1.067 0.000 0.822 261 A HN 0.601 nan 8.150 nan 0.000 0.443 262 E N -0.081 119.940 120.200 -0.299 0.000 2.086 262 E HA -0.289 3.072 4.350 -1.649 0.000 0.200 262 E C 1.901 178.409 176.600 -0.155 0.000 1.012 262 E CA 1.840 58.191 56.400 -0.081 0.000 0.812 262 E CB -0.175 29.509 29.700 -0.026 0.000 0.743 262 E HN 0.761 nan 8.360 nan 0.000 0.453 263 E N 0.077 120.029 120.200 -0.414 0.000 2.072 263 E HA -0.182 3.179 4.350 -1.649 0.000 0.191 263 E C 2.129 178.514 176.600 -0.358 0.000 0.985 263 E CA 0.915 56.853 56.400 -0.769 0.000 0.801 263 E CB -0.132 28.450 29.700 -1.863 0.000 0.750 263 E HN 0.210 nan 8.360 nan 0.000 0.452 264 L N 0.910 122.030 121.223 -0.172 0.000 2.017 264 L HA -0.172 3.179 4.340 -1.649 0.000 0.208 264 L C 1.979 178.895 176.870 0.078 0.000 1.073 264 L CA 1.628 56.491 54.840 0.038 0.000 0.745 264 L CB -0.396 41.656 42.059 -0.012 0.000 0.894 264 L HN 0.116 nan 8.230 nan 0.000 0.432 265 L N -1.797 119.470 121.223 0.074 0.000 2.083 265 L HA -0.248 3.103 4.340 -1.649 0.000 0.209 265 L C 2.463 179.464 176.870 0.217 0.000 1.083 265 L CA 1.625 56.561 54.840 0.160 0.000 0.752 265 L CB -0.787 41.404 42.059 0.220 0.000 0.899 265 L HN 0.387 nan 8.230 nan 0.000 0.433 266 Y N 0.193 120.548 120.300 0.093 0.000 2.114 266 Y HA -0.313 3.250 4.550 -1.647 0.000 0.284 266 Y C 2.432 178.309 175.900 -0.038 0.000 1.143 266 Y CA 1.865 60.039 58.100 0.124 0.000 1.135 266 Y CB -0.092 38.416 38.460 0.081 0.000 0.980 266 Y HN 0.066 nan 8.280 nan 0.000 0.499 267 I N 0.082 120.742 120.570 0.150 0.000 2.315 267 I HA -0.233 2.948 4.170 -1.649 0.000 0.248 267 I C 2.001 178.055 176.117 -0.104 0.000 1.117 267 I CA 1.336 62.655 61.300 0.031 0.000 1.404 267 I CB -0.569 37.592 38.000 0.268 0.000 1.071 267 I HN 0.340 nan 8.210 nan 0.000 0.419 268 L N -0.034 121.178 121.223 -0.018 0.000 2.017 268 L HA -0.101 3.250 4.340 -1.649 0.000 0.208 268 L C 2.596 179.395 176.870 -0.118 0.000 1.073 268 L CA 1.432 56.248 54.840 -0.041 0.000 0.745 268 L CB -1.594 40.505 42.059 0.067 0.000 0.894 268 L HN 0.373 nan 8.230 nan 0.000 0.432 269 G N 0.440 109.196 108.800 -0.073 0.000 2.469 269 G HA2 -0.175 2.796 3.960 -1.649 0.000 0.219 269 G HA3 -0.175 2.796 3.960 -1.649 0.000 0.219 269 G C 0.999 175.705 174.900 -0.323 0.000 1.150 269 G CA 0.414 45.515 45.100 0.003 0.000 0.763 269 G HN 0.153 nan 8.290 nan 0.000 0.561 274 P HA -0.064 nan 4.420 nan 0.000 0.218 274 P C 0.910 178.327 177.300 0.195 0.000 1.149 274 P CA 1.122 64.288 63.100 0.109 0.000 0.817 274 P CB 0.387 32.104 31.700 0.029 0.000 0.785 275 E N -0.956 119.469 120.200 0.374 0.000 2.409 275 E HA -0.093 3.268 4.350 -1.649 0.000 0.198 275 E C 0.845 177.505 176.600 0.100 0.000 1.024 275 E CA 0.468 56.981 56.400 0.189 0.000 0.861 275 E CB -0.356 29.404 29.700 0.101 0.000 0.788 275 E HN 0.262 nan 8.360 nan 0.000 0.521 276 N N -0.304 118.459 118.700 0.105 0.000 2.235 276 N HA 0.106 3.857 4.740 -1.649 0.000 0.209 276 N C 0.936 176.482 175.510 0.061 0.000 1.122 276 N CA 0.248 53.325 53.050 0.046 0.000 0.845 276 N CB 0.695 39.173 38.487 -0.014 0.000 1.004 276 N HN 0.068 nan 8.380 nan 0.000 0.499 277 A N 1.244 124.116 122.820 0.088 0.000 1.978 277 A HA -0.181 3.150 4.320 -1.649 0.000 0.220 277 A C 1.561 179.182 177.584 0.062 0.000 1.170 277 A CA 1.738 53.831 52.037 0.093 0.000 0.636 277 A CB -0.233 18.816 19.000 0.082 0.000 0.810 277 A HN 0.321 nan 8.150 nan 0.000 0.448 278 D N -0.805 119.631 120.400 0.060 0.000 2.340 278 D HA -0.002 3.649 4.640 -1.649 0.000 0.220 278 D C 0.226 176.470 176.300 -0.094 0.000 1.039 278 D CA 0.001 54.027 54.000 0.043 0.000 0.866 278 D CB -0.328 40.548 40.800 0.125 0.000 0.913 278 D HN 0.281 nan 8.370 nan 0.000 0.523 279 Q N 1.927 121.657 119.800 -0.116 0.000 2.296 279 Q HA 0.270 3.621 4.340 -1.649 0.000 0.262 279 Q C -1.854 173.994 176.000 -0.252 0.000 0.981 279 Q CA -1.099 54.529 55.803 -0.292 0.000 0.905 279 Q CB 1.418 30.087 28.738 -0.115 0.000 1.186 279 Q HN 0.323 nan 8.270 nan 0.000 0.399 283 I N 0.693 121.259 120.570 -0.006 0.000 2.447 283 I HA 0.493 3.674 4.170 -1.649 0.000 0.287 283 I C -0.543 175.581 176.117 0.012 0.000 1.023 283 I CA -1.000 60.296 61.300 -0.007 0.000 1.083 283 I CB 2.436 40.473 38.000 0.062 0.000 1.245 283 I HN 0.029 nan 8.210 nan 0.000 0.434 284 V N 6.863 126.739 119.914 -0.063 0.000 2.444 284 V HA 0.390 3.521 4.120 -1.649 0.000 0.294 284 V C -0.335 175.678 176.094 -0.135 0.000 1.022 284 V CA -0.634 61.620 62.300 -0.078 0.000 0.850 284 V CB 1.851 33.608 31.823 -0.111 0.000 0.992 284 V HN 0.373 nan 8.190 nan 0.000 0.426 285 L N 4.269 125.405 121.223 -0.144 0.000 2.290 285 L HA 0.705 4.056 4.340 -1.649 0.000 0.284 285 L C 0.382 176.966 176.870 -0.477 0.000 1.078 285 L CA 0.859 55.534 54.840 -0.275 0.000 0.815 285 L CB 1.418 43.284 42.059 -0.321 0.000 1.162 285 L HN 0.805 nan 8.230 nan 0.000 0.435 286 T N 1.712 116.060 114.554 -0.343 0.000 2.900 286 T HA 0.890 4.251 4.350 -1.649 0.000 0.303 286 T C -0.556 174.260 174.700 0.192 0.000 1.142 286 T CA -0.101 61.887 62.100 -0.187 0.000 1.007 286 T CB 1.571 70.453 68.868 0.023 0.000 1.156 286 T HN 0.817 nan 8.240 nan 0.000 0.490 287 G N 2.799 111.640 108.800 0.069 0.000 2.550 287 G HA2 0.708 3.679 3.960 -1.649 0.000 0.293 287 G HA3 0.708 3.679 3.960 -1.649 0.000 0.293 287 G C -3.299 171.004 174.900 -0.995 0.000 1.402 287 G CA -0.978 43.992 45.100 -0.217 0.000 0.784 287 G HN 0.616 nan 8.290 nan 0.000 0.482 288 P HA 0.177 nan 4.420 nan 0.000 0.274 288 P C 0.337 177.501 177.300 -0.227 0.000 1.260 288 P CA -0.185 62.522 63.100 -0.654 0.000 0.793 288 P CB 1.372 32.891 31.700 -0.302 0.000 1.048 289 K N 1.148 121.490 120.400 -0.097 0.000 2.089 289 K HA -0.231 3.100 4.320 -1.649 0.000 0.210 289 K C 2.211 178.806 176.600 -0.008 0.000 1.048 289 K CA 2.480 58.754 56.287 -0.022 0.000 0.926 289 K CB -1.069 31.434 32.500 0.005 0.000 0.714 289 K HN 0.586 nan 8.250 nan 0.000 0.448 290 Q N -0.446 119.338 119.800 -0.027 0.000 2.364 290 Q HA -0.075 3.276 4.340 -1.649 0.000 0.207 290 Q C 1.263 177.258 176.000 -0.008 0.000 0.970 290 Q CA 1.534 57.328 55.803 -0.015 0.000 0.888 290 Q CB -0.252 28.469 28.738 -0.027 0.000 0.951 290 Q HN 0.294 nan 8.270 nan 0.000 0.469 291 S N -0.781 114.911 115.700 -0.013 0.000 2.631 291 S HA 0.035 3.515 4.470 -1.649 0.000 0.217 291 S C 1.362 176.070 174.600 0.180 0.000 0.958 291 S CA 0.162 58.367 58.200 0.009 0.000 0.920 291 S CB 0.238 63.386 63.200 -0.086 0.000 0.776 291 S HN 0.481 nan 8.310 nan 0.000 0.517 292 E N 1.565 121.860 120.200 0.159 0.000 2.070 292 E HA -0.151 3.210 4.350 -1.649 0.000 0.197 292 E C 2.200 178.908 176.600 0.180 0.000 1.004 292 E CA 1.420 57.935 56.400 0.192 0.000 0.805 292 E CB -0.416 29.349 29.700 0.109 0.000 0.744 292 E HN 0.760 nan 8.360 nan 0.000 0.451 293 A N 0.103 122.994 122.820 0.119 0.000 1.898 293 A HA -0.207 3.124 4.320 -1.649 0.000 0.216 293 A C 2.020 179.652 177.584 0.079 0.000 1.181 293 A CA 1.516 53.606 52.037 0.087 0.000 0.620 293 A CB -0.965 18.071 19.000 0.059 0.000 0.819 293 A HN 0.565 nan 8.150 nan 0.000 0.442 294 Y N -0.412 119.851 120.300 -0.061 0.000 2.081 294 Y HA -0.307 3.254 4.550 -1.649 0.000 0.280 294 Y C 1.952 177.762 175.900 -0.151 0.000 1.163 294 Y CA 2.375 60.379 58.100 -0.160 0.000 1.135 294 Y CB -0.505 37.763 38.460 -0.321 0.000 0.970 294 Y HN 0.260 nan 8.280 nan 0.000 0.498 295 F N 0.351 120.402 119.950 0.170 0.000 2.171 295 F HA -0.111 3.426 4.527 -1.649 0.000 0.300 295 F C 2.571 178.374 175.800 0.005 0.000 1.090 295 F CA 1.661 59.703 58.000 0.071 0.000 1.293 295 F CB -0.737 38.356 39.000 0.155 0.000 1.013 295 F HN -0.040 nan 8.300 nan 0.000 0.486 296 R N -0.419 120.196 120.500 0.192 0.000 2.083 296 R HA -0.181 3.170 4.340 -1.649 0.000 0.237 296 R C 2.591 178.927 176.300 0.060 0.000 1.137 296 R CA 1.709 57.878 56.100 0.115 0.000 0.951 296 R CB -0.781 29.570 30.300 0.085 0.000 0.851 296 R HN 0.285 nan 8.270 nan 0.000 0.434 297 S N 0.678 116.373 115.700 -0.008 0.000 2.368 297 S HA -0.129 3.352 4.470 -1.649 0.000 0.224 297 S C 1.950 176.516 174.600 -0.056 0.000 1.029 297 S CA 0.955 59.127 58.200 -0.046 0.000 0.988 297 S CB -0.145 62.994 63.200 -0.101 0.000 0.838 297 S HN 0.236 nan 8.310 nan 0.000 0.462 298 L N 2.161 123.284 121.223 -0.167 0.000 2.017 298 L HA -0.002 3.349 4.340 -1.649 0.000 0.208 298 L C 2.143 179.068 176.870 0.090 0.000 1.073 298 L CA 2.494 57.268 54.840 -0.110 0.000 0.745 298 L CB -1.099 40.792 42.059 -0.281 0.000 0.894 298 L HN 0.351 nan 8.230 nan 0.000 0.432 299 D N -0.457 120.025 120.400 0.136 0.000 2.123 299 D HA -0.289 3.362 4.640 -1.649 0.000 0.196 299 D C 2.251 178.657 176.300 0.175 0.000 0.992 299 D CA 1.628 55.754 54.000 0.209 0.000 0.833 299 D CB -0.054 40.886 40.800 0.235 0.000 0.954 299 D HN 0.358 nan 8.370 nan 0.000 0.455 300 K N -1.221 119.258 120.400 0.131 0.000 2.097 300 K HA -0.143 3.188 4.320 -1.649 0.000 0.205 300 K C 2.133 178.804 176.600 0.118 0.000 1.050 300 K CA 0.830 57.180 56.287 0.105 0.000 0.938 300 K CB -0.411 32.137 32.500 0.080 0.000 0.718 300 K HN 0.192 nan 8.250 nan 0.000 0.442 301 F N 1.297 121.248 119.950 0.001 0.000 2.146 301 F HA -0.166 3.372 4.527 -1.649 0.000 0.298 301 F C 1.671 177.489 175.800 0.030 0.000 1.096 301 F CA 1.051 59.051 58.000 -0.001 0.000 1.275 301 F CB 0.014 38.995 39.000 -0.032 0.000 1.008 301 F HN -0.045 nan 8.300 nan 0.000 0.480 302 I N 0.853 121.493 120.570 0.117 0.000 2.163 302 I HA -0.255 2.926 4.170 -1.649 0.000 0.240 302 I C 2.661 178.783 176.117 0.008 0.000 1.081 302 I CA 2.088 63.417 61.300 0.049 0.000 1.353 302 I CB -1.958 36.143 38.000 0.168 0.000 1.054 302 I HN 0.308 nan 8.210 nan 0.000 0.407 303 T N -1.749 112.843 114.554 0.063 0.000 2.867 303 T HA -0.140 3.221 4.350 -1.649 0.000 0.268 303 T C 1.508 176.192 174.700 -0.026 0.000 1.057 303 T CA 1.234 63.356 62.100 0.037 0.000 1.136 303 T CB -0.308 68.593 68.868 0.056 0.000 0.874 303 T HN 0.161 nan 8.240 nan 0.000 0.466 304 D N 1.574 121.933 120.400 -0.068 0.000 2.194 304 D HA -0.014 3.637 4.640 -1.649 0.000 0.204 304 D C 2.556 178.762 176.300 -0.157 0.000 0.964 304 D CA 1.821 55.764 54.000 -0.095 0.000 0.846 304 D CB -0.246 40.502 40.800 -0.086 0.000 0.962 304 D HN 0.727 nan 8.370 nan 0.000 0.490 305 T N -1.927 112.467 114.554 -0.267 0.000 2.953 305 T HA 0.101 3.462 4.350 -1.649 0.000 0.247 305 T C 2.095 176.707 174.700 -0.146 0.000 1.029 305 T CA 0.139 62.071 62.100 -0.281 0.000 1.144 305 T CB -0.343 68.208 68.868 -0.529 0.000 0.870 305 T HN 0.048 nan 8.240 nan 0.000 0.446 306 L N 0.848 122.011 121.223 -0.101 0.000 2.529 306 L HA 0.469 3.819 4.340 -1.649 0.000 0.223 306 L C 1.376 178.248 176.870 0.002 0.000 1.113 306 L CA 0.234 55.060 54.840 -0.024 0.000 0.861 306 L CB -0.470 41.603 42.059 0.023 0.000 1.012 306 L HN 0.739 nan 8.230 nan 0.000 0.461 307 G N 0.318 109.114 108.800 -0.006 0.000 2.570 307 G HA2 -0.178 2.793 3.960 -1.649 0.000 0.686 307 G HA3 -0.178 2.793 3.960 -1.649 0.000 0.686 307 G C -0.013 174.898 174.900 0.018 0.000 1.257 307 G CA -0.504 44.598 45.100 0.003 0.000 0.846 307 G HN 0.127 nan 8.290 nan 0.000 0.627 308 E N 0.014 120.217 120.200 0.005 0.000 2.333 308 E HA 0.002 3.363 4.350 -1.649 0.000 0.198 308 E C 2.759 179.352 176.600 -0.011 0.000 1.007 308 E CA 1.273 57.671 56.400 -0.004 0.000 0.845 308 E CB -0.109 29.581 29.700 -0.017 0.000 0.766 308 E HN 0.836 nan 8.360 nan 0.000 0.507 309 A N 1.085 123.910 122.820 0.008 0.000 2.076 309 A HA -0.136 3.194 4.320 -1.649 0.000 0.220 309 A C 2.305 179.936 177.584 0.080 0.000 1.160 309 A CA 1.443 53.493 52.037 0.021 0.000 0.653 309 A CB -0.415 18.614 19.000 0.050 0.000 0.801 309 A HN 0.313 nan 8.150 nan 0.000 0.455 310 A N -0.426 122.468 122.820 0.124 0.000 1.969 310 A HA -0.108 3.223 4.320 -1.649 0.000 0.218 310 A C 2.110 179.800 177.584 0.176 0.000 1.169 310 A CA 1.788 53.980 52.037 0.259 0.000 0.635 310 A CB -0.373 18.783 19.000 0.261 0.000 0.810 310 A HN 0.362 nan 8.150 nan 0.000 0.445 311 R N 1.164 121.617 120.500 -0.078 0.000 2.189 311 R HA -0.096 3.255 4.340 -1.649 0.000 0.223 311 R C 1.838 177.843 176.300 -0.491 0.000 1.092 311 R CA 1.669 57.477 56.100 -0.485 0.000 0.989 311 R CB -0.487 29.632 30.300 -0.302 0.000 0.876 311 R HN 0.719 nan 8.270 nan 0.000 0.457 312 K N -1.323 118.867 120.400 -0.351 0.000 2.525 312 K HA -0.064 3.266 4.320 -1.649 0.000 0.192 312 K C 0.260 176.543 176.600 -0.528 0.000 1.029 312 K CA 0.962 56.991 56.287 -0.429 0.000 1.029 312 K CB -0.019 32.246 32.500 -0.392 0.000 0.814 312 K HN 0.316 nan 8.250 nan 0.000 0.503 313 H N -0.297 118.713 119.070 -0.100 0.000 2.652 313 H HA 0.108 3.675 4.556 -1.648 0.000 0.274 313 H C -0.380 175.003 175.328 0.092 0.000 1.021 313 H CA -0.027 56.030 56.048 0.014 0.000 1.187 313 H CB 0.197 30.008 29.762 0.082 0.000 1.505 313 H HN 0.331 nan 8.280 nan 0.000 0.530 314 Y N -0.636 119.683 120.300 0.032 0.000 2.615 314 Y HA 0.583 4.144 4.550 -1.648 0.000 0.341 314 Y C -0.430 175.449 175.900 -0.036 0.000 1.089 314 Y CA -1.431 56.668 58.100 -0.001 0.000 1.049 314 Y CB 1.175 39.646 38.460 0.019 0.000 1.296 314 Y HN -0.085 nan 8.280 nan 0.000 0.470 315 S N 1.307 117.063 115.700 0.094 0.000 2.709 315 S HA 0.825 4.306 4.470 -1.649 0.000 0.302 315 S C -1.290 173.357 174.600 0.078 0.000 1.127 315 S CA -0.890 57.318 58.200 0.012 0.000 0.905 315 S CB 1.887 65.058 63.200 -0.047 0.000 1.151 315 S HN 0.722 nan 8.310 nan 0.000 0.510 316 I N 0.859 121.424 120.570 -0.008 0.000 2.436 316 I HA 0.623 3.804 4.170 -1.649 0.000 0.289 316 I C -0.506 175.531 176.117 -0.134 0.000 1.010 316 I CA -0.918 60.310 61.300 -0.120 0.000 1.098 316 I CB 1.924 39.858 38.000 -0.110 0.000 1.266 316 I HN 0.893 nan 8.210 nan 0.000 0.434 317 A N 8.058 130.771 122.820 -0.179 0.000 2.409 317 A HA 0.658 3.989 4.320 -1.649 0.000 0.300 317 A C -0.632 176.910 177.584 -0.070 0.000 1.273 317 A CA -0.457 51.528 52.037 -0.087 0.000 0.774 317 A CB 0.395 19.369 19.000 -0.043 0.000 1.144 317 A HN 0.509 nan 8.150 nan 0.000 0.472 318 I N 1.637 122.180 120.570 -0.046 0.000 2.396 318 I HA 0.264 3.445 4.170 -1.649 0.000 0.292 318 I C 0.530 176.669 176.117 0.038 0.000 0.999 318 I CA 0.267 61.551 61.300 -0.027 0.000 1.310 318 I CB 0.993 38.993 38.000 -0.001 0.000 1.404 318 I HN 0.864 nan 8.210 nan 0.000 0.496 319 D N 4.231 124.656 120.400 0.041 0.000 2.699 319 D HA -0.243 3.408 4.640 -1.649 0.000 0.239 319 D C -0.392 176.040 176.300 0.220 0.000 1.136 319 D CA 0.762 54.853 54.000 0.152 0.000 0.668 319 D CB -0.841 39.999 40.800 0.068 0.000 1.060 319 D HN 0.688 nan 8.370 nan 0.000 0.429 320 N N -0.219 118.668 118.700 0.311 0.000 2.976 320 N HA 0.217 3.968 4.740 -1.649 0.000 0.220 320 N C -2.335 173.242 175.510 0.111 0.000 1.428 320 N CA -1.043 52.099 53.050 0.154 0.000 0.748 320 N CB 1.178 39.715 38.487 0.083 0.000 1.484 320 N HN -0.074 nan 8.380 nan 0.000 0.578 321 P HA 0.002 nan 4.420 nan 0.000 0.217 321 P C 1.153 178.408 177.300 -0.075 0.000 1.150 321 P CA 1.048 64.053 63.100 -0.159 0.000 0.832 321 P CB 0.383 31.898 31.700 -0.309 0.000 0.787 322 A N -0.046 122.748 122.820 -0.042 0.000 1.933 322 A HA -0.229 3.102 4.320 -1.649 0.000 0.218 322 A C 2.336 179.899 177.584 -0.035 0.000 1.175 322 A CA 1.925 53.939 52.037 -0.037 0.000 0.628 322 A CB -1.205 17.781 19.000 -0.022 0.000 0.814 322 A HN 0.117 nan 8.150 nan 0.000 0.444 323 E N 0.177 120.366 120.200 -0.019 0.000 2.106 323 E HA 0.004 3.365 4.350 -1.649 0.000 0.192 323 E C 2.025 178.604 176.600 -0.035 0.000 0.984 323 E CA 1.332 57.719 56.400 -0.022 0.000 0.806 323 E CB -0.466 29.229 29.700 -0.009 0.000 0.750 323 E HN 0.460 nan 8.360 nan 0.000 0.458 324 A N 0.866 123.667 122.820 -0.032 0.000 1.883 324 A HA -0.135 3.195 4.320 -1.649 0.000 0.217 324 A C 2.449 179.987 177.584 -0.076 0.000 1.186 324 A CA 2.311 54.312 52.037 -0.060 0.000 0.624 324 A CB -1.103 17.861 19.000 -0.060 0.000 0.822 324 A HN 0.375 nan 8.150 nan 0.000 0.444 325 A N -0.793 121.982 122.820 -0.074 0.000 1.969 325 A HA -0.122 3.208 4.320 -1.649 0.000 0.218 325 A C 2.239 179.780 177.584 -0.073 0.000 1.169 325 A CA 1.633 53.621 52.037 -0.080 0.000 0.635 325 A CB -0.442 18.505 19.000 -0.088 0.000 0.810 325 A HN 0.558 nan 8.150 nan 0.000 0.445 326 R N -0.479 119.983 120.500 -0.062 0.000 2.092 326 R HA 0.042 3.393 4.340 -1.649 0.000 0.231 326 R C 0.624 176.892 176.300 -0.054 0.000 1.119 326 R CA 0.463 56.529 56.100 -0.055 0.000 0.970 326 R CB -0.372 29.901 30.300 -0.045 0.000 0.864 326 R HN 0.510 nan 8.270 nan 0.000 0.440 330 N N 2.469 121.137 118.700 -0.053 0.000 2.443 330 N HA 0.173 3.923 4.740 -1.649 0.000 0.184 330 N C 0.723 176.206 175.510 -0.044 0.000 1.037 330 N CA 1.029 54.051 53.050 -0.046 0.000 0.896 330 N CB -0.323 38.139 38.487 -0.042 0.000 0.959 330 N HN 0.633 nan 8.380 nan 0.000 0.442 334 L N 0.085 121.302 121.223 -0.009 0.000 2.056 334 L HA -0.085 3.266 4.340 -1.649 0.000 0.207 334 L C 2.192 179.092 176.870 0.049 0.000 1.078 334 L CA 1.075 55.926 54.840 0.019 0.000 0.749 334 L CB -0.600 41.459 42.059 -0.002 0.000 0.901 334 L HN -0.151 nan 8.230 nan 0.000 0.433 335 V N -0.122 119.802 119.914 0.017 0.000 2.252 335 V HA -0.337 2.794 4.120 -1.649 0.000 0.249 335 V C 2.666 178.820 176.094 0.099 0.000 1.056 335 V CA 1.899 64.230 62.300 0.052 0.000 1.022 335 V CB -0.656 31.171 31.823 0.008 0.000 0.641 335 V HN 0.412 nan 8.190 nan 0.000 0.445 336 R N -0.501 119.998 120.500 -0.001 0.000 2.083 336 R HA -0.247 3.104 4.340 -1.649 0.000 0.237 336 R C 2.438 178.873 176.300 0.225 0.000 1.137 336 R CA 1.912 58.052 56.100 0.067 0.000 0.951 336 R CB -0.413 29.835 30.300 -0.087 0.000 0.851 336 R HN 0.441 nan 8.270 nan 0.000 0.434 337 Q N 0.071 119.955 119.800 0.141 0.000 2.084 337 Q HA -0.197 3.153 4.340 -1.649 0.000 0.202 337 Q C 1.949 178.038 176.000 0.149 0.000 0.978 337 Q CA 1.711 57.593 55.803 0.130 0.000 0.844 337 Q CB -0.393 28.400 28.738 0.092 0.000 0.898 337 Q HN 0.481 nan 8.270 nan 0.000 0.426 338 H N -0.500 118.616 119.070 0.077 0.000 2.389 338 H HA -0.009 3.558 4.556 -1.649 0.000 0.299 338 H C 1.477 176.860 175.328 0.090 0.000 1.081 338 H CA 1.154 57.244 56.048 0.069 0.000 1.345 338 H CB 0.378 30.175 29.762 0.059 0.000 1.393 338 H HN 0.094 nan 8.280 nan 0.000 0.520 339 R N 1.156 121.728 120.500 0.119 0.000 2.075 339 R HA -0.058 3.293 4.340 -1.649 0.000 0.232 339 R C 2.423 178.719 176.300 -0.007 0.000 1.126 339 R CA 0.662 56.808 56.100 0.078 0.000 0.963 339 R CB -0.295 30.180 30.300 0.292 0.000 0.858 339 R HN 0.434 nan 8.270 nan 0.000 0.435 340 K N 0.619 121.046 120.400 0.044 0.000 2.026 340 K HA -0.135 3.196 4.320 -1.649 0.000 0.208 340 K C 1.568 178.142 176.600 -0.044 0.000 1.048 340 K CA 1.470 57.748 56.287 -0.014 0.000 0.929 340 K CB -0.136 32.385 32.500 0.035 0.000 0.713 340 K HN 0.078 nan 8.250 nan 0.000 0.439 341 D N 0.822 121.192 120.400 -0.051 0.000 2.182 341 D HA -0.132 3.519 4.640 -1.649 0.000 0.201 341 D C 1.509 177.744 176.300 -0.107 0.000 0.986 341 D CA 1.168 55.127 54.000 -0.069 0.000 0.847 341 D CB 0.055 40.816 40.800 -0.064 0.000 0.942 341 D HN 0.073 nan 8.370 nan 0.000 0.467 342 K N 0.400 120.696 120.400 -0.174 0.000 2.444 342 K HA 0.034 3.365 4.320 -1.649 0.000 0.193 342 K C -0.003 176.548 176.600 -0.081 0.000 1.024 342 K CA 0.033 56.231 56.287 -0.149 0.000 1.077 342 K CB 0.458 32.831 32.500 -0.212 0.000 0.833 342 K HN 0.232 nan 8.250 nan 0.000 0.517 343 E N 1.687 121.842 120.200 -0.074 0.000 2.476 343 E HA -0.198 3.162 4.350 -1.649 0.000 0.251 343 E C -0.377 176.195 176.600 -0.047 0.000 1.130 343 E CA 0.524 56.886 56.400 -0.064 0.000 0.736 343 E CB -0.809 28.854 29.700 -0.061 0.000 1.298 343 E HN 0.243 nan 8.360 nan 0.000 0.400 344 D N -0.731 119.657 120.400 -0.020 0.000 2.384 344 D HA 0.601 4.252 4.640 -1.649 0.000 0.250 344 D C -0.368 175.984 176.300 0.086 0.000 1.029 344 D CA -0.077 53.967 54.000 0.073 0.000 0.990 344 D CB 1.239 42.106 40.800 0.111 0.000 1.175 344 D HN 0.146 nan 8.370 nan 0.000 0.532 345 A N 1.419 124.377 122.820 0.230 0.000 2.401 345 A HA 0.150 3.481 4.320 -1.649 0.000 0.259 345 A C 0.391 178.142 177.584 0.279 0.000 1.103 345 A CA -0.111 52.058 52.037 0.221 0.000 0.789 345 A CB -0.018 19.215 19.000 0.388 0.000 1.035 345 A HN 0.611 nan 8.150 nan 0.000 0.491 346 Y N 1.731 122.137 120.300 0.177 0.000 2.151 346 Y HA -0.160 3.400 4.550 -1.649 0.000 0.284 346 Y C 2.606 178.688 175.900 0.304 0.000 1.166 346 Y CA 2.123 60.325 58.100 0.170 0.000 1.163 346 Y CB -0.595 37.916 38.460 0.085 0.000 0.974 346 Y HN 0.578 nan 8.280 nan 0.000 0.511 347 S N -1.921 114.048 115.700 0.448 0.000 2.524 347 S HA 0.108 3.588 4.470 -1.649 0.000 0.216 347 S C -0.236 174.572 174.600 0.347 0.000 0.987 347 S CA -0.048 58.384 58.200 0.386 0.000 0.909 347 S CB -0.024 63.357 63.200 0.302 0.000 0.781 347 S HN 0.233 nan 8.310 nan 0.000 0.521 348 F N 2.306 122.348 119.950 0.154 0.000 2.730 348 F HA 0.405 3.943 4.527 -1.649 0.000 0.335 348 F C -0.796 174.968 175.800 -0.060 0.000 1.212 348 F CA -1.068 56.923 58.000 -0.016 0.000 1.016 348 F CB 0.965 39.933 39.000 -0.054 0.000 1.290 348 F HN -0.185 nan 8.300 nan 0.000 0.495 349 N N 5.281 123.758 118.700 -0.371 0.000 2.508 349 N HA 0.021 3.771 4.740 -1.649 0.000 0.253 349 N C 0.292 175.669 175.510 -0.222 0.000 1.145 349 N CA 0.067 53.019 53.050 -0.164 0.000 0.973 349 N CB 0.161 38.559 38.487 -0.147 0.000 1.305 349 N HN 0.803 nan 8.380 nan 0.000 0.506 350 W N 1.245 122.567 121.300 0.037 0.000 2.518 350 W HA -0.067 3.604 4.660 -1.648 0.000 0.273 350 W C 2.372 178.900 176.519 0.014 0.000 1.247 350 W CA 0.604 57.992 57.345 0.072 0.000 1.288 350 W CB -0.008 29.510 29.460 0.096 0.000 1.107 350 W HN 0.572 nan 8.180 nan 0.000 0.586 351 S N 0.077 115.918 115.700 0.235 0.000 2.489 351 S HA -0.035 3.446 4.470 -1.649 0.000 0.228 351 S C 0.869 175.519 174.600 0.082 0.000 0.995 351 S CA -0.050 58.234 58.200 0.140 0.000 0.934 351 S CB -0.577 62.684 63.200 0.103 0.000 0.771 351 S HN 0.070 nan 8.310 nan 0.000 0.522 352 L N 2.784 124.036 121.223 0.048 0.000 2.559 352 L HA 0.308 3.659 4.340 -1.649 0.000 0.274 352 L C 0.094 176.936 176.870 -0.047 0.000 1.205 352 L CA 0.295 55.125 54.840 -0.016 0.000 0.907 352 L CB 0.138 42.157 42.059 -0.066 0.000 1.153 352 L HN 0.170 nan 8.230 nan 0.000 0.490 353 K N 6.054 126.392 120.400 -0.103 0.000 2.285 353 K HA 0.450 3.781 4.320 -1.649 0.000 0.286 353 K C -1.056 175.428 176.600 -0.193 0.000 1.072 353 K CA 0.003 56.188 56.287 -0.170 0.000 0.913 353 K CB 0.204 32.503 32.500 -0.335 0.000 1.067 353 K HN 0.661 nan 8.250 nan 0.000 0.479 354 I N 4.720 125.233 120.570 -0.094 0.000 2.382 354 I HA 0.197 3.378 4.170 -1.649 0.000 0.285 354 I C 0.096 176.267 176.117 0.090 0.000 1.007 354 I CA -0.920 60.351 61.300 -0.050 0.000 1.142 354 I CB 1.449 39.443 38.000 -0.010 0.000 1.289 354 I HN 0.553 nan 8.210 nan 0.000 0.453 355 E N 6.854 127.178 120.200 0.208 0.000 2.392 355 E HA 0.128 3.489 4.350 -1.649 0.000 0.259 355 E C -1.618 175.118 176.600 0.228 0.000 1.108 355 E CA -1.565 54.974 56.400 0.232 0.000 0.916 355 E CB 0.653 30.538 29.700 0.308 0.000 0.989 355 E HN 0.299 nan 8.360 nan 0.000 0.432 356 P HA -0.206 nan 4.420 nan 0.000 0.216 356 P C 1.128 178.470 177.300 0.070 0.000 1.150 356 P CA 1.438 64.605 63.100 0.113 0.000 0.843 356 P CB 0.168 31.919 31.700 0.086 0.000 0.787 357 E N -0.927 119.258 120.200 -0.026 0.000 2.333 357 E HA -0.158 3.203 4.350 -1.649 0.000 0.198 357 E C 1.246 177.653 176.600 -0.323 0.000 1.007 357 E CA 1.133 57.417 56.400 -0.192 0.000 0.845 357 E CB -1.033 28.481 29.700 -0.310 0.000 0.766 357 E HN 0.279 nan 8.360 nan 0.000 0.507 358 F N 1.285 121.281 119.950 0.077 0.000 2.569 358 F HA 0.147 3.685 4.527 -1.650 0.000 0.295 358 F C 2.416 178.361 175.800 0.241 0.000 1.115 358 F CA 0.674 58.757 58.000 0.138 0.000 1.450 358 F CB 0.125 39.105 39.000 -0.034 0.000 1.107 358 F HN -0.037 nan 8.300 nan 0.000 0.563 359 Q N -0.409 119.565 119.800 0.290 0.000 2.373 359 Q HA 0.084 3.434 4.340 -1.649 0.000 0.210 359 Q C 0.400 176.507 176.000 0.179 0.000 0.913 359 Q CA -0.107 55.840 55.803 0.241 0.000 0.911 359 Q CB 0.238 29.099 28.738 0.205 0.000 1.040 359 Q HN 0.200 nan 8.270 nan 0.000 0.521 360 L N 3.227 124.535 121.223 0.143 0.000 2.500 360 L HA 0.171 3.522 4.340 -1.649 0.000 0.272 360 L C -2.532 174.428 176.870 0.150 0.000 1.149 360 L CA -1.605 53.311 54.840 0.127 0.000 0.897 360 L CB 0.329 42.447 42.059 0.098 0.000 1.178 360 L HN -0.178 nan 8.230 nan 0.000 0.473 361 P HA 0.094 nan 4.420 nan 0.000 0.271 361 P C -1.376 176.029 177.300 0.175 0.000 1.220 361 P CA 0.150 63.337 63.100 0.144 0.000 0.768 361 P CB 0.279 32.039 31.700 0.102 0.000 0.848 362 F N 3.653 123.614 119.950 0.017 0.000 2.427 362 F HA 0.301 3.839 4.527 -1.649 0.000 0.346 362 F C 0.025 175.818 175.800 -0.012 0.000 1.120 362 F CA -0.663 57.334 58.000 -0.006 0.000 1.033 362 F CB 1.177 40.169 39.000 -0.012 0.000 1.126 362 F HN 0.186 nan 8.300 nan 0.000 0.462 363 E N 7.466 127.292 120.200 -0.624 0.000 2.063 363 E HA 0.303 3.664 4.350 -1.649 0.000 0.265 363 E C -2.713 173.430 176.600 -0.762 0.000 0.919 363 E CA -2.454 53.667 56.400 -0.464 0.000 0.756 363 E CB 0.737 30.279 29.700 -0.262 0.000 1.120 363 E HN 0.344 nan 8.360 nan 0.000 0.414 364 P HA 0.194 nan 4.420 nan 0.000 0.281 364 P C -0.701 176.279 177.300 -0.533 0.000 1.252 364 P CA -0.311 62.368 63.100 -0.701 0.000 0.778 364 P CB 0.598 32.087 31.700 -0.352 0.000 0.895 365 N N -0.167 118.150 118.700 -0.639 0.000 2.934 365 N HA 0.209 3.960 4.740 -1.649 0.000 0.253 365 N C 0.434 175.705 175.510 -0.399 0.000 1.466 365 N CA -0.796 52.053 53.050 -0.336 0.000 0.858 365 N CB 0.090 38.550 38.487 -0.046 0.000 1.459 365 N HN 0.124 nan 8.380 nan 0.000 0.532 366 H N -0.865 118.235 119.070 0.049 0.000 2.394 366 H HA -0.147 3.420 4.556 -1.649 0.000 0.297 366 H C 1.459 176.782 175.328 -0.009 0.000 1.113 366 H CA 2.342 58.455 56.048 0.107 0.000 1.277 366 H CB 0.249 30.108 29.762 0.162 0.000 1.370 366 H HN 0.829 nan 8.280 nan 0.000 0.506 367 E N 1.082 121.316 120.200 0.056 0.000 2.076 367 E HA -0.081 3.280 4.350 -1.649 0.000 0.190 367 E C 1.140 177.732 176.600 -0.014 0.000 0.979 367 E CA 0.636 57.051 56.400 0.025 0.000 0.807 367 E CB 0.116 29.821 29.700 0.009 0.000 0.761 367 E HN 0.435 nan 8.360 nan 0.000 0.454 371 N N 0.629 119.377 118.700 0.080 0.000 2.398 371 N HA 0.213 3.964 4.740 -1.649 0.000 0.188 371 N C 0.305 175.827 175.510 0.020 0.000 1.122 371 N CA 0.194 53.292 53.050 0.080 0.000 0.866 371 N CB -0.051 38.482 38.487 0.077 0.000 0.970 371 N HN 0.548 nan 8.380 nan 0.000 0.462 372 L N 1.269 122.465 121.223 -0.045 0.000 2.525 372 L HA -0.027 3.324 4.340 -1.649 0.000 0.278 372 L C 0.441 177.214 176.870 -0.162 0.000 1.218 372 L CA 0.125 54.897 54.840 -0.114 0.000 0.878 372 L CB 0.292 42.244 42.059 -0.177 0.000 1.127 372 L HN -0.002 nan 8.230 nan 0.000 0.492 373 D N 5.312 125.649 120.400 -0.104 0.000 2.411 373 D HA 0.255 3.906 4.640 -1.649 0.000 0.225 373 D C -0.460 175.764 176.300 -0.126 0.000 1.156 373 D CA -0.084 53.888 54.000 -0.046 0.000 0.874 373 D CB 0.522 41.345 40.800 0.039 0.000 1.034 373 D HN 0.285 nan 8.370 nan 0.000 0.502 374 L N 4.747 125.777 121.223 -0.322 0.000 2.709 374 L HA 0.327 3.678 4.340 -1.649 0.000 0.236 374 L C -0.567 175.971 176.870 -0.553 0.000 1.266 374 L CA -0.542 54.082 54.840 -0.360 0.000 0.987 374 L CB 0.140 41.999 42.059 -0.334 0.000 1.306 374 L HN 0.355 nan 8.230 nan 0.000 0.467 375 H N -0.256 118.786 119.070 -0.046 0.000 2.622 375 H HA 0.348 3.915 4.556 -1.649 0.000 0.363 375 H C 0.625 175.934 175.328 -0.033 0.000 1.151 375 H CA -0.772 55.259 56.048 -0.029 0.000 1.184 375 H CB 2.152 31.905 29.762 -0.014 0.000 1.643 375 H HN 0.193 nan 8.280 nan 0.000 0.531 376 L N 1.250 122.528 121.223 0.091 0.000 2.610 376 L HA -0.052 3.299 4.340 -1.649 0.000 0.232 376 L C 1.240 178.125 176.870 0.026 0.000 1.149 376 L CA 0.389 55.244 54.840 0.025 0.000 0.872 376 L CB -0.204 41.858 42.059 0.004 0.000 0.992 376 L HN 0.664 nan 8.230 nan 0.000 0.447 377 N N -0.726 118.002 118.700 0.047 0.000 2.314 377 N HA -0.027 3.724 4.740 -1.649 0.000 0.200 377 N C 0.263 175.781 175.510 0.013 0.000 1.135 377 N CA -0.099 52.963 53.050 0.020 0.000 0.835 377 N CB 0.093 38.586 38.487 0.010 0.000 0.989 377 N HN 0.391 nan 8.380 nan 0.000 0.478 378 Q N 0.606 120.417 119.800 0.018 0.000 2.312 378 Q HA 0.274 3.624 4.340 -1.649 0.000 0.236 378 Q C -0.098 175.901 176.000 -0.001 0.000 0.965 378 Q CA -0.681 55.127 55.803 0.008 0.000 0.894 378 Q CB 1.528 30.272 28.738 0.009 0.000 1.225 378 Q HN 0.117 nan 8.270 nan 0.000 0.478 379 R N 2.134 122.630 120.500 -0.006 0.000 2.523 379 R HA -0.082 3.268 4.340 -1.649 0.000 0.281 379 R C -1.476 174.823 176.300 -0.001 0.000 0.969 379 R CA -0.666 55.429 56.100 -0.009 0.000 1.093 379 R CB 0.012 30.302 30.300 -0.017 0.000 0.917 379 R HN 0.494 nan 8.270 nan 0.000 0.408 380 P HA -0.184 nan 4.420 nan 0.000 0.216 380 P C 0.156 177.481 177.300 0.042 0.000 1.150 380 P CA 1.456 64.565 63.100 0.015 0.000 0.837 380 P CB 0.269 31.979 31.700 0.018 0.000 0.786 381 E N -0.281 119.950 120.200 0.052 0.000 2.153 381 E HA -0.090 3.271 4.350 -1.649 0.000 0.194 381 E C 2.077 178.757 176.600 0.134 0.000 0.988 381 E CA 0.778 57.259 56.400 0.135 0.000 0.811 381 E CB -1.157 28.628 29.700 0.143 0.000 0.746 381 E HN 0.120 nan 8.360 nan 0.000 0.466 382 V N 0.654 120.587 119.914 0.031 0.000 2.407 382 V HA -0.129 3.002 4.120 -1.649 0.000 0.245 382 V C 2.068 178.126 176.094 -0.061 0.000 1.041 382 V CA 1.031 63.302 62.300 -0.047 0.000 1.040 382 V CB -0.352 31.448 31.823 -0.039 0.000 0.671 382 V HN 0.210 nan 8.190 nan 0.000 0.455 383 L N 1.301 122.511 121.223 -0.021 0.000 2.079 383 L HA -0.103 3.248 4.340 -1.649 0.000 0.210 383 L C 2.411 179.280 176.870 -0.002 0.000 1.081 383 L CA 2.354 57.179 54.840 -0.025 0.000 0.752 383 L CB -0.889 41.157 42.059 -0.020 0.000 0.896 383 L HN 0.227 nan 8.230 nan 0.000 0.433 384 A N -0.611 122.243 122.820 0.056 0.000 1.933 384 A HA -0.061 3.270 4.320 -1.649 0.000 0.218 384 A C 2.454 180.108 177.584 0.116 0.000 1.175 384 A CA 1.599 53.717 52.037 0.134 0.000 0.628 384 A CB -1.054 18.071 19.000 0.210 0.000 0.814 384 A HN 0.569 nan 8.150 nan 0.000 0.444 385 A N 0.324 123.104 122.820 -0.067 0.000 1.933 385 A HA -0.182 3.149 4.320 -1.649 0.000 0.218 385 A C 1.931 179.380 177.584 -0.224 0.000 1.175 385 A CA 1.687 53.507 52.037 -0.362 0.000 0.628 385 A CB -0.532 17.954 19.000 -0.857 0.000 0.814 385 A HN 0.560 nan 8.150 nan 0.000 0.444 386 N N 0.034 118.627 118.700 -0.179 0.000 2.216 386 N HA -0.031 3.720 4.740 -1.649 0.000 0.183 386 N C 1.649 177.056 175.510 -0.171 0.000 1.017 386 N CA 1.172 54.103 53.050 -0.199 0.000 0.861 386 N CB -0.405 37.984 38.487 -0.163 0.000 0.986 386 N HN 0.481 nan 8.380 nan 0.000 0.428 387 L N 0.856 122.045 121.223 -0.057 0.000 2.141 387 L HA -0.044 3.307 4.340 -1.649 0.000 0.209 387 L C 2.619 179.565 176.870 0.127 0.000 1.094 387 L CA 0.697 55.551 54.840 0.024 0.000 0.763 387 L CB -0.284 41.900 42.059 0.208 0.000 0.908 387 L HN 0.067 nan 8.230 nan 0.000 0.437 388 R N 1.085 121.661 120.500 0.128 0.000 2.083 388 R HA -0.169 3.182 4.340 -1.649 0.000 0.237 388 R C 2.316 178.625 176.300 0.015 0.000 1.137 388 R CA 1.758 57.955 56.100 0.162 0.000 0.951 388 R CB -0.317 30.109 30.300 0.209 0.000 0.851 388 R HN 0.330 nan 8.270 nan 0.000 0.434 389 R N -0.339 120.030 120.500 -0.218 0.000 2.096 389 R HA -0.045 3.306 4.340 -1.649 0.000 0.235 389 R C 2.335 178.370 176.300 -0.442 0.000 1.127 389 R CA 1.370 57.120 56.100 -0.583 0.000 0.968 389 R CB -0.339 29.266 30.300 -1.158 0.000 0.861 389 R HN 0.265 nan 8.270 nan 0.000 0.440 390 A N 0.656 123.284 122.820 -0.320 0.000 1.873 390 A HA -0.140 3.191 4.320 -1.649 0.000 0.215 390 A C 1.846 179.296 177.584 -0.224 0.000 1.186 390 A CA 1.172 53.034 52.037 -0.292 0.000 0.616 390 A CB -0.577 18.183 19.000 -0.400 0.000 0.823 390 A HN 0.191 nan 8.150 nan 0.000 0.442 391 F N 0.097 120.025 119.950 -0.037 0.000 2.171 391 F HA -0.102 3.435 4.527 -1.649 0.000 0.300 391 F C 2.891 178.709 175.800 0.030 0.000 1.090 391 F CA 1.364 59.362 58.000 -0.003 0.000 1.293 391 F CB -0.618 38.382 39.000 0.001 0.000 1.013 391 F HN 0.206 nan 8.300 nan 0.000 0.486 392 S N -0.283 115.530 115.700 0.189 0.000 2.399 392 S HA -0.117 3.364 4.470 -1.649 0.000 0.231 392 S C 2.433 177.162 174.600 0.215 0.000 1.022 392 S CA 1.289 59.592 58.200 0.172 0.000 0.983 392 S CB -0.822 62.480 63.200 0.169 0.000 0.803 392 S HN 0.448 nan 8.310 nan 0.000 0.480 393 G N 0.462 109.396 108.800 0.225 0.000 2.403 393 G HA2 -0.100 2.871 3.960 -1.649 0.000 0.216 393 G HA3 -0.100 2.871 3.960 -1.649 0.000 0.216 393 G C 1.436 176.541 174.900 0.341 0.000 1.154 393 G CA 0.939 46.188 45.100 0.248 0.000 0.784 393 G HN 0.453 nan 8.290 nan 0.000 0.538 394 V N 0.670 120.741 119.914 0.263 0.000 2.343 394 V HA -0.168 2.963 4.120 -1.649 0.000 0.247 394 V C 3.006 179.263 176.094 0.272 0.000 1.051 394 V CA 1.400 63.875 62.300 0.290 0.000 1.036 394 V CB -0.407 31.520 31.823 0.173 0.000 0.654 394 V HN 0.238 nan 8.190 nan 0.000 0.451 395 V N 0.504 120.547 119.914 0.216 0.000 2.255 395 V HA -0.304 2.826 4.120 -1.649 0.000 0.247 395 V C 2.775 178.969 176.094 0.167 0.000 1.051 395 V CA 2.238 64.633 62.300 0.158 0.000 1.018 395 V CB -1.279 30.605 31.823 0.103 0.000 0.641 395 V HN 0.562 nan 8.190 nan 0.000 0.445 396 A N 0.489 123.428 122.820 0.198 0.000 1.917 396 A HA -0.169 3.162 4.320 -1.649 0.000 0.219 396 A C 2.378 180.096 177.584 0.223 0.000 1.182 396 A CA 2.152 54.309 52.037 0.199 0.000 0.633 396 A CB -1.261 17.871 19.000 0.220 0.000 0.819 396 A HN 0.584 nan 8.150 nan 0.000 0.448 397 G N -0.903 108.075 108.800 0.296 0.000 2.471 397 G HA2 -0.176 2.795 3.960 -1.649 0.000 0.219 397 G HA3 -0.176 2.795 3.960 -1.649 0.000 0.219 397 G C 1.348 176.308 174.900 0.099 0.000 1.125 397 G CA 1.025 46.196 45.100 0.118 0.000 0.775 397 G HN 0.533 nan 8.290 nan 0.000 0.548 398 N N -0.368 118.439 118.700 0.179 0.000 2.387 398 N HA -0.011 3.740 4.740 -1.649 0.000 0.176 398 N C 2.085 177.680 175.510 0.142 0.000 1.022 398 N CA 1.523 54.699 53.050 0.210 0.000 0.883 398 N CB 0.445 39.087 38.487 0.257 0.000 1.019 398 N HN 0.384 nan 8.380 nan 0.000 0.435 399 V N -3.151 116.826 119.914 0.105 0.000 3.426 399 V HA 0.385 3.516 4.120 -1.649 0.000 0.279 399 V C 0.099 176.225 176.094 0.054 0.000 1.544 399 V CA -0.205 62.135 62.300 0.066 0.000 1.017 399 V CB 0.087 31.921 31.823 0.018 0.000 0.821 399 V HN -0.138 nan 8.190 nan 0.000 0.432 400 K N 1.155 121.596 120.400 0.068 0.000 2.143 400 K HA 0.762 4.093 4.320 -1.649 0.000 0.272 400 K C 1.389 178.023 176.600 0.057 0.000 1.001 400 K CA 0.308 56.630 56.287 0.059 0.000 0.915 400 K CB 1.853 34.395 32.500 0.069 0.000 1.047 400 K HN 0.206 nan 8.250 nan 0.000 0.458 401 A N 3.228 126.074 122.820 0.043 0.000 1.869 401 A HA -0.280 3.051 4.320 -1.649 0.000 0.218 401 A C 1.862 179.473 177.584 0.045 0.000 1.203 401 A CA 2.065 54.124 52.037 0.037 0.000 0.638 401 A CB -0.521 18.496 19.000 0.029 0.000 0.831 401 A HN 0.914 nan 8.150 nan 0.000 0.450 402 E N -0.063 120.170 120.200 0.056 0.000 2.047 402 E HA -0.089 3.271 4.350 -1.649 0.000 0.191 402 E C 2.125 178.787 176.600 0.103 0.000 0.987 402 E CA 1.389 57.831 56.400 0.069 0.000 0.799 402 E CB -1.570 28.168 29.700 0.063 0.000 0.752 402 E HN 0.482 nan 8.360 nan 0.000 0.449 403 G N 2.137 111.012 108.800 0.125 0.000 2.491 403 G HA2 -0.247 2.724 3.960 -1.649 0.000 0.218 403 G HA3 -0.247 2.724 3.960 -1.649 0.000 0.218 403 G C 1.844 176.784 174.900 0.066 0.000 1.180 403 G CA 1.356 46.562 45.100 0.177 0.000 0.774 403 G HN 0.270 nan 8.290 nan 0.000 0.562 404 I N -0.022 120.572 120.570 0.039 0.000 2.315 404 I HA -0.182 2.999 4.170 -1.649 0.000 0.251 404 I C 3.032 179.140 176.117 -0.015 0.000 1.125 404 I CA 0.881 62.180 61.300 -0.002 0.000 1.392 404 I CB -0.181 37.829 38.000 0.016 0.000 1.065 404 I HN 0.112 nan 8.210 nan 0.000 0.424 405 R N 0.491 120.999 120.500 0.014 0.000 2.062 405 R HA -0.140 3.211 4.340 -1.649 0.000 0.231 405 R C 2.229 178.535 176.300 0.010 0.000 1.136 405 R CA 1.194 57.298 56.100 0.006 0.000 0.948 405 R CB -0.235 30.078 30.300 0.021 0.000 0.845 405 R HN 0.267 nan 8.270 nan 0.000 0.430 406 E N 0.739 120.997 120.200 0.097 0.000 2.136 406 E HA -0.229 3.132 4.350 -1.649 0.000 0.202 406 E C 1.947 178.661 176.600 0.189 0.000 1.019 406 E CA 1.169 57.710 56.400 0.234 0.000 0.819 406 E CB -0.259 29.715 29.700 0.457 0.000 0.739 406 E HN 0.271 nan 8.360 nan 0.000 0.458 407 I N 1.070 121.626 120.570 -0.023 0.000 2.163 407 I HA -0.191 2.990 4.170 -1.649 0.000 0.240 407 I C 2.206 178.282 176.117 -0.068 0.000 1.081 407 I CA 1.046 62.284 61.300 -0.103 0.000 1.353 407 I CB -1.367 36.486 38.000 -0.244 0.000 1.054 407 I HN 0.142 nan 8.210 nan 0.000 0.407 408 E N 0.673 120.824 120.200 -0.082 0.000 2.097 408 E HA -0.249 3.112 4.350 -1.649 0.000 0.196 408 E C 2.228 178.749 176.600 -0.131 0.000 1.000 408 E CA 1.567 57.913 56.400 -0.090 0.000 0.804 408 E CB -0.197 29.459 29.700 -0.073 0.000 0.740 408 E HN 0.541 nan 8.360 nan 0.000 0.454 409 R N -0.278 120.097 120.500 -0.209 0.000 2.246 409 R HA -0.002 3.349 4.340 -1.649 0.000 0.199 409 R C 0.855 176.785 176.300 -0.616 0.000 0.984 409 R CA 1.064 56.920 56.100 -0.407 0.000 1.015 409 R CB 0.196 30.211 30.300 -0.475 0.000 0.930 409 R HN 0.265 nan 8.270 nan 0.000 0.475 410 H N -0.235 118.781 119.070 -0.088 0.000 3.230 410 H HA 0.301 3.868 4.556 -1.649 0.000 0.259 410 H C 0.736 175.983 175.328 -0.135 0.000 1.195 410 H CA 0.306 56.223 56.048 -0.219 0.000 1.112 410 H CB 1.132 30.532 29.762 -0.602 0.000 1.638 410 H HN 0.434 nan 8.280 nan 0.000 0.624 411 G N 2.481 111.304 108.800 0.038 0.000 2.741 411 G HA2 -0.226 2.745 3.960 -1.649 0.000 0.222 411 G HA3 -0.226 2.745 3.960 -1.649 0.000 0.222 411 G C -2.582 172.407 174.900 0.149 0.000 1.364 411 G CA -0.766 44.364 45.100 0.051 0.000 0.866 411 G HN 0.099 nan 8.290 nan 0.000 0.555 412 P HA 0.284 nan 4.420 nan 0.000 0.268 412 P C 0.153 177.550 177.300 0.161 0.000 1.208 412 P CA 0.128 63.228 63.100 -0.001 0.000 0.777 412 P CB 0.180 31.857 31.700 -0.039 0.000 0.875 413 F N 0.527 120.473 119.950 -0.007 0.000 2.529 413 F HA 0.076 3.613 4.527 -1.650 0.000 0.365 413 F C 1.672 177.511 175.800 0.064 0.000 1.102 413 F CA 0.031 57.956 58.000 -0.125 0.000 1.271 413 F CB 0.488 39.414 39.000 -0.123 0.000 1.120 413 F HN 0.262 nan 8.300 nan 0.000 0.579 417 G N -0.494 108.302 108.800 -0.006 0.000 2.344 417 G HA2 0.166 3.137 3.960 -1.649 0.000 0.282 417 G HA3 0.166 3.137 3.960 -1.649 0.000 0.282 417 G C -1.576 173.259 174.900 -0.107 0.000 1.281 417 G CA -0.515 44.424 45.100 -0.269 0.000 0.877 417 G HN 0.812 nan 8.290 nan 0.000 0.494 418 D N 1.125 121.422 120.400 -0.171 0.000 2.662 418 D HA 0.082 3.733 4.640 -1.649 0.000 0.233 418 D C -0.987 175.321 176.300 0.012 0.000 1.129 418 D CA -0.295 53.716 54.000 0.019 0.000 0.851 418 D CB 1.698 42.505 40.800 0.012 0.000 1.152 418 D HN -0.048 nan 8.370 nan 0.000 0.507 419 P HA -0.142 nan 4.420 nan 0.000 0.216 419 P C 1.601 178.915 177.300 0.024 0.000 1.150 419 P CA 0.437 63.557 63.100 0.033 0.000 0.837 419 P CB 0.313 32.036 31.700 0.039 0.000 0.786 420 V N -0.621 119.305 119.914 0.020 0.000 2.295 420 V HA -0.174 2.957 4.120 -1.649 0.000 0.246 420 V C 1.708 177.809 176.094 0.010 0.000 1.049 420 V CA 0.993 63.302 62.300 0.014 0.000 1.024 420 V CB -1.122 30.706 31.823 0.008 0.000 0.648 420 V HN 0.093 nan 8.190 nan 0.000 0.447 427 Q N 0.635 120.403 119.800 -0.053 0.000 2.124 427 Q HA 0.033 3.384 4.340 -1.649 0.000 0.202 427 Q C 2.000 177.881 176.000 -0.198 0.000 0.977 427 Q CA 1.447 57.204 55.803 -0.078 0.000 0.850 427 Q CB -0.227 28.485 28.738 -0.042 0.000 0.901 427 Q HN 0.406 nan 8.270 nan 0.000 0.429 428 L N -0.550 120.470 121.223 -0.337 0.000 2.027 428 L HA -0.056 3.295 4.340 -1.649 0.000 0.206 428 L C 1.926 178.252 176.870 -0.906 0.000 1.074 428 L CA 1.563 56.010 54.840 -0.656 0.000 0.745 428 L CB -0.495 41.037 42.059 -0.879 0.000 0.898 428 L HN 0.343 nan 8.230 nan 0.000 0.433 429 L N -0.242 120.611 121.223 -0.615 0.000 2.042 429 L HA -0.246 3.105 4.340 -1.649 0.000 0.210 429 L C 2.354 179.161 176.870 -0.103 0.000 1.076 429 L CA 1.286 55.883 54.840 -0.405 0.000 0.749 429 L CB -0.914 40.925 42.059 -0.366 0.000 0.893 429 L HN 0.394 nan 8.230 nan 0.000 0.432 430 N N 0.043 118.713 118.700 -0.050 0.000 2.120 430 N HA -0.180 3.571 4.740 -1.649 0.000 0.188 430 N C 1.457 176.980 175.510 0.021 0.000 1.024 430 N CA 1.408 54.484 53.050 0.045 0.000 0.852 430 N CB -0.424 38.086 38.487 0.037 0.000 1.003 430 N HN 0.309 nan 8.380 nan 0.000 0.424 431 D N 0.516 120.877 120.400 -0.065 0.000 2.092 431 D HA -0.125 3.526 4.640 -1.649 0.000 0.193 431 D C 1.866 178.251 176.300 0.142 0.000 0.994 431 D CA 0.729 54.725 54.000 -0.006 0.000 0.828 431 D CB -0.468 40.286 40.800 -0.076 0.000 0.963 431 D HN 0.145 nan 8.370 nan 0.000 0.450 432 F N 0.994 120.935 119.950 -0.015 0.000 2.091 432 F HA -0.173 3.366 4.527 -1.648 0.000 0.299 432 F C 2.615 178.385 175.800 -0.050 0.000 1.103 432 F CA 0.229 58.209 58.000 -0.033 0.000 1.228 432 F CB -1.346 37.622 39.000 -0.053 0.000 0.984 432 F HN -0.130 nan 8.300 nan 0.000 0.477 433 V N 0.212 120.235 119.914 0.183 0.000 2.261 433 V HA -0.300 2.831 4.120 -1.649 0.000 0.246 433 V C 2.672 178.820 176.094 0.089 0.000 1.047 433 V CA 1.908 64.277 62.300 0.114 0.000 1.015 433 V CB -1.494 30.462 31.823 0.222 0.000 0.642 433 V HN 0.358 nan 8.190 nan 0.000 0.446 434 A N -0.843 122.030 122.820 0.089 0.000 1.972 434 A HA -0.257 3.074 4.320 -1.649 0.000 0.219 434 A C 2.049 179.659 177.584 0.042 0.000 1.169 434 A CA 1.728 53.801 52.037 0.060 0.000 0.635 434 A CB -0.427 18.604 19.000 0.052 0.000 0.810 434 A HN 0.672 nan 8.150 nan 0.000 0.446 435 Q N -0.701 119.130 119.800 0.052 0.000 2.403 435 Q HA 0.087 3.438 4.340 -1.649 0.000 0.203 435 Q C -0.336 175.646 176.000 -0.030 0.000 0.932 435 Q CA -0.014 55.800 55.803 0.018 0.000 0.945 435 Q CB 0.222 28.987 28.738 0.045 0.000 1.045 435 Q HN 0.623 nan 8.270 nan 0.000 0.511 436 N N 1.026 119.710 118.700 -0.027 0.000 2.776 436 N HA -0.162 3.589 4.740 -1.649 0.000 0.249 436 N C -0.785 174.643 175.510 -0.136 0.000 1.111 436 N CA 0.863 53.872 53.050 -0.069 0.000 0.711 436 N CB -0.664 37.784 38.487 -0.066 0.000 1.065 436 N HN 0.357 nan 8.380 nan 0.000 0.556 440 L N 2.493 123.706 121.223 -0.016 0.000 2.514 440 L HA 0.177 3.528 4.340 -1.649 0.000 0.280 440 L C -1.913 174.942 176.870 -0.025 0.000 1.223 440 L CA -1.339 53.466 54.840 -0.059 0.000 0.864 440 L CB -0.090 41.965 42.059 -0.007 0.000 1.118 440 L HN 0.564 nan 8.230 nan 0.000 0.494 441 P HA 0.381 nan 4.420 nan 0.000 0.280 441 P C 0.407 177.696 177.300 -0.018 0.000 1.272 441 P CA -0.200 62.885 63.100 -0.025 0.000 0.819 441 P CB 1.301 32.978 31.700 -0.039 0.000 1.122 442 G N -1.698 107.098 108.800 -0.008 0.000 2.205 442 G HA2 0.063 3.033 3.960 -1.649 0.000 0.180 442 G HA3 0.063 3.033 3.960 -1.649 0.000 0.180 442 G C 0.276 175.179 174.900 0.005 0.000 1.004 442 G CA -0.129 44.967 45.100 -0.007 0.000 0.670 442 G HN 0.911 nan 8.290 nan 0.000 0.496 443 G N -0.174 108.636 108.800 0.016 0.000 3.222 443 G HA2 0.791 3.762 3.960 -1.649 0.000 0.263 443 G HA3 0.791 3.762 3.960 -1.649 0.000 0.263 443 G C 0.357 175.272 174.900 0.024 0.000 1.312 443 G CA 0.691 45.803 45.100 0.021 0.000 0.934 443 G HN 1.496 nan 8.290 nan 0.000 0.577 444 S N -0.467 115.248 115.700 0.024 0.000 2.579 444 S HA 0.530 4.011 4.470 -1.649 0.000 0.275 444 S C 0.716 175.339 174.600 0.038 0.000 1.345 444 S CA 0.218 58.429 58.200 0.020 0.000 1.031 444 S CB 0.964 64.167 63.200 0.006 0.000 0.892 444 S HN 1.705 nan 8.310 nan 0.000 0.529 445 A N 2.020 124.860 122.820 0.033 0.000 2.561 445 A HA 0.186 3.517 4.320 -1.649 0.000 0.234 445 A C -0.049 177.580 177.584 0.074 0.000 1.055 445 A CA -0.229 51.841 52.037 0.056 0.000 0.756 445 A CB -0.548 18.472 19.000 0.034 0.000 0.986 445 A HN 0.981 nan 8.150 nan 0.000 0.505 446 Y N 1.907 122.214 120.300 0.011 0.000 2.511 446 Y HA 0.286 3.846 4.550 -1.649 0.000 0.332 446 Y C 0.747 176.648 175.900 0.002 0.000 1.177 446 Y CA 0.571 58.682 58.100 0.019 0.000 1.422 446 Y CB 0.535 39.021 38.460 0.043 0.000 1.271 446 Y HN 0.735 nan 8.280 nan 0.000 0.550 447 E N 7.159 126.899 120.200 -0.766 0.000 2.176 447 E HA 0.395 3.756 4.350 -1.649 0.000 0.267 447 E C -2.937 172.978 176.600 -1.142 0.000 0.893 447 E CA -2.609 53.373 56.400 -0.696 0.000 0.761 447 E CB 1.360 30.840 29.700 -0.367 0.000 1.133 447 E HN 0.407 nan 8.360 nan 0.000 0.409 448 P HA -0.101 nan 4.420 nan 0.000 0.261 448 P C 0.647 177.651 177.300 -0.494 0.000 1.173 448 P CA -0.093 62.616 63.100 -0.652 0.000 0.760 448 P CB 0.310 31.564 31.700 -0.744 0.000 0.783 449 C N 2.759 121.936 119.300 -0.204 0.000 2.697 449 C HA 0.291 3.762 4.460 -1.649 0.000 0.267 449 C C 0.357 175.318 174.990 -0.050 0.000 1.278 449 C CA -0.454 58.485 59.018 -0.132 0.000 1.708 449 C CB -2.069 25.659 27.740 -0.020 0.000 1.860 449 C HN 0.543 nan 8.230 nan 0.000 0.589 450 Y N -1.185 119.136 120.300 0.035 0.000 2.576 450 Y HA 0.790 4.351 4.550 -1.649 0.000 0.346 450 Y C -0.653 175.286 175.900 0.066 0.000 1.018 450 Y CA -1.735 56.419 58.100 0.090 0.000 1.050 450 Y CB 0.954 39.486 38.460 0.119 0.000 1.280 450 Y HN 0.023 nan 8.280 nan 0.000 0.474 451 K N 2.983 123.474 120.400 0.151 0.000 2.581 451 K HA 0.422 3.753 4.320 -1.649 0.000 0.249 451 K C -2.145 174.555 176.600 0.168 0.000 0.966 451 K CA -0.656 55.693 56.287 0.103 0.000 0.811 451 K CB 1.754 34.274 32.500 0.033 0.000 1.223 451 K HN 0.832 nan 8.250 nan 0.000 0.438 452 I N 4.667 125.337 120.570 0.166 0.000 2.363 452 I HA 0.098 3.279 4.170 -1.649 0.000 0.292 452 I C 0.111 176.289 176.117 0.101 0.000 1.075 452 I CA -0.124 61.252 61.300 0.127 0.000 1.333 452 I CB 1.064 39.127 38.000 0.104 0.000 1.415 452 I HN 0.258 nan 8.210 nan 0.000 0.502 453 V N 5.503 125.485 119.914 0.113 0.000 3.211 453 V HA 0.709 3.840 4.120 -1.649 0.000 0.319 453 V C 0.410 176.563 176.094 0.099 0.000 1.096 453 V CA -0.519 61.838 62.300 0.096 0.000 1.029 453 V CB 1.842 33.721 31.823 0.093 0.000 1.137 453 V HN 0.778 nan 8.190 nan 0.000 0.453 454 T N 0.000 114.593 114.554 0.064 0.000 3.816 454 T HA 0.000 3.361 4.350 -1.649 0.000 0.228 454 T CA 0.000 62.133 62.100 0.054 0.000 1.349 454 T CB 0.000 68.896 68.868 0.047 0.000 0.612 454 T HN 0.000 nan 8.240 nan 0.000 0.658