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 2x8c_1_A DATA FIRST_RESID 6 DATA SEQUENCE GTSQWLRKTV DSAAVILFSK TTCPYCKKVK DVLAEAKIKH ATIELDQLSN DATA SEQUENCE GSAIQKCLAS FSKIETVPQM FVRGKFIGDS QTVLKYYSND ELAGIVNESK DATA SEQUENCE YDYDLIVIGG GSGGLAAGKE AAKYGAKTAV LDYVEPTPIG TTWGLGGTcV DATA SEQUENCE NVGcIPKKLM HQAGLLSHAL EDAEHFGWSL DRSKISHNWS TMVEGVQSHI DATA SEQUENCE GSLNWGYKVA LRDNQVTYLN AKGRLISPHE VQITDKNQKV STITGNKIIL DATA SEQUENCE ATGERPKYPE IPGAVEYGIT SDDLFSLPYF PGKTLVIGAS YVALECAGFL DATA SEQUENCE ASLGGDVTVM VRSILLRGFD QQMAEKVGDY MENHGVKFAK LCVPDEIKQL DATA SEQUENCE KVVDTENNKP GLLLVKGHYT DGKKFEEEFE TVIFAVGREP QLSKVLCETV DATA SEQUENCE GVKLDKNGRV VCTDDEQTTV SNVYAIGDIN AGKPQLTPVA IQAGRYLARR DATA SEQUENCE LFAGATELTD YSNVATTVFT PLEYGACGLS EEDAIEKYGD KDIEVYHSNF DATA SEQUENCE KPLEWTVAHR EDNVCYMKLV CRKSDNMRVL GLHVLGPNAG EITQGYAVAI DATA SEQUENCE KMGATKADFD RTIGIHPTCS ETFTTLHVTK KSGVSPIV 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.991 3.960 0.052 0.000 0.244 6 G C 0.000 174.958 174.900 0.097 0.000 0.946 6 G CA 0.000 45.130 45.100 0.051 0.000 0.502 7 T N 1.581 116.197 114.554 0.103 0.000 2.915 7 T HA -0.029 4.352 4.350 0.052 0.000 0.269 7 T C 2.472 177.311 174.700 0.231 0.000 1.071 7 T CA 1.938 64.160 62.100 0.205 0.000 1.132 7 T CB -0.156 68.808 68.868 0.160 0.000 0.878 7 T HN 0.334 nan 8.240 nan 0.000 0.479 8 S N 0.785 116.569 115.700 0.140 0.000 2.374 8 S HA -0.206 4.296 4.470 0.052 0.000 0.227 8 S C 2.130 176.801 174.600 0.119 0.000 1.037 8 S CA 1.227 59.495 58.200 0.112 0.000 1.024 8 S CB -0.246 62.999 63.200 0.075 0.000 0.861 8 S HN 0.343 nan 8.310 nan 0.000 0.456 9 Q N -0.795 119.082 119.800 0.128 0.000 2.137 9 Q HA -0.005 4.366 4.340 0.052 0.000 0.198 9 Q C 1.683 177.768 176.000 0.141 0.000 0.960 9 Q CA 1.082 56.955 55.803 0.116 0.000 0.847 9 Q CB -0.762 28.037 28.738 0.102 0.000 0.915 9 Q HN 0.845 nan 8.270 nan 0.000 0.448 10 W N 1.175 122.480 121.300 0.010 0.000 2.355 10 W HA -0.181 4.510 4.660 0.051 0.000 0.309 10 W C 1.760 178.272 176.519 -0.012 0.000 1.206 10 W CA 1.120 58.464 57.345 -0.003 0.000 1.284 10 W CB -0.454 29.002 29.460 -0.007 0.000 1.145 10 W HN 0.165 nan 8.180 nan 0.000 0.502 11 L N 1.141 122.257 121.223 -0.177 0.000 2.201 11 L HA -0.036 4.336 4.340 0.052 0.000 0.212 11 L C 2.676 179.343 176.870 -0.338 0.000 1.105 11 L CA 1.750 56.318 54.840 -0.455 0.000 0.775 11 L CB -0.816 41.121 42.059 -0.203 0.000 0.913 11 L HN -0.035 nan 8.230 nan 0.000 0.440 12 R N -0.932 119.515 120.500 -0.090 0.000 2.092 12 R HA -0.127 4.244 4.340 0.052 0.000 0.231 12 R C 2.157 178.435 176.300 -0.038 0.000 1.119 12 R CA 1.326 57.455 56.100 0.049 0.000 0.970 12 R CB 0.028 30.391 30.300 0.105 0.000 0.864 12 R HN 0.299 nan 8.270 nan 0.000 0.440 13 K N -1.231 119.102 120.400 -0.111 0.000 2.137 13 K HA 0.010 4.361 4.320 0.052 0.000 0.202 13 K C 1.917 178.389 176.600 -0.213 0.000 1.052 13 K CA 1.298 57.517 56.287 -0.113 0.000 0.961 13 K CB 0.199 32.659 32.500 -0.066 0.000 0.741 13 K HN 0.111 nan 8.250 nan 0.000 0.452 14 T N 1.330 115.653 114.554 -0.385 0.000 2.643 14 T HA -0.127 4.255 4.350 0.052 0.000 0.264 14 T C 2.045 176.538 174.700 -0.345 0.000 1.045 14 T CA 1.856 63.687 62.100 -0.448 0.000 1.155 14 T CB -0.288 68.120 68.868 -0.766 0.000 0.863 14 T HN 0.150 nan 8.240 nan 0.000 0.420 15 V N 0.849 120.518 119.914 -0.408 0.000 2.407 15 V HA -0.125 4.026 4.120 0.052 0.000 0.248 15 V C 2.163 178.152 176.094 -0.174 0.000 1.055 15 V CA 2.127 64.191 62.300 -0.393 0.000 1.049 15 V CB -0.847 30.471 31.823 -0.842 0.000 0.662 15 V HN 0.249 nan 8.190 nan 0.000 0.455 16 D N 0.418 120.743 120.400 -0.126 0.000 2.144 16 D HA -0.145 4.526 4.640 0.052 0.000 0.199 16 D C 2.244 178.545 176.300 0.001 0.000 0.984 16 D CA 1.764 55.766 54.000 0.004 0.000 0.834 16 D CB 0.036 40.855 40.800 0.031 0.000 0.955 16 D HN 0.567 nan 8.370 nan 0.000 0.465 17 S N -1.276 114.375 115.700 -0.081 0.000 2.497 17 S HA 0.378 4.880 4.470 0.052 0.000 0.218 17 S C 0.691 175.182 174.600 -0.182 0.000 1.023 17 S CA 0.173 58.287 58.200 -0.143 0.000 0.913 17 S CB -0.015 63.050 63.200 -0.224 0.000 0.800 17 S HN 0.286 nan 8.310 nan 0.000 0.505 18 A N 0.875 123.639 122.820 -0.094 0.000 2.425 18 A HA 0.712 5.063 4.320 0.052 0.000 0.249 18 A C 1.299 179.002 177.584 0.198 0.000 1.084 18 A CA 0.346 52.410 52.037 0.045 0.000 0.781 18 A CB 0.208 19.190 19.000 -0.030 0.000 1.019 18 A HN 0.565 nan 8.150 nan 0.000 0.490 19 A N 1.898 124.937 122.820 0.365 0.000 1.871 19 A HA 0.404 4.755 4.320 0.052 0.000 0.211 19 A C 0.564 178.258 177.584 0.182 0.000 1.207 19 A CA 1.393 53.599 52.037 0.283 0.000 0.620 19 A CB -0.092 19.066 19.000 0.264 0.000 0.860 19 A HN 1.117 nan 8.150 nan 0.000 0.450 20 V N 0.639 120.655 119.914 0.170 0.000 2.445 20 V HA 0.472 4.623 4.120 0.052 0.000 0.283 20 V C -0.802 175.376 176.094 0.140 0.000 1.014 20 V CA -0.119 62.266 62.300 0.141 0.000 0.852 20 V CB 1.039 32.940 31.823 0.129 0.000 1.021 20 V HN 0.464 nan 8.190 nan 0.000 0.435 21 I N 4.494 125.121 120.570 0.096 0.000 2.740 21 I HA 0.718 4.920 4.170 0.052 0.000 0.303 21 I C -1.525 174.573 176.117 -0.031 0.000 1.044 21 I CA -1.273 60.016 61.300 -0.019 0.000 1.064 21 I CB 2.480 40.361 38.000 -0.199 0.000 1.249 21 I HN 0.569 nan 8.210 nan 0.000 0.433 22 L N 6.763 127.904 121.223 -0.137 0.000 2.457 22 L HA 0.499 4.870 4.340 0.052 0.000 0.266 22 L C -1.565 175.234 176.870 -0.118 0.000 0.979 22 L CA 0.000 54.799 54.840 -0.068 0.000 0.857 22 L CB 1.048 43.020 42.059 -0.144 0.000 1.213 22 L HN 0.338 nan 8.230 nan 0.000 0.418 23 F N 3.125 123.137 119.950 0.102 0.000 2.429 23 F HA 0.648 5.206 4.527 0.052 0.000 0.348 23 F C 0.980 176.834 175.800 0.089 0.000 1.109 23 F CA 0.544 58.592 58.000 0.080 0.000 1.232 23 F CB 1.522 40.560 39.000 0.063 0.000 1.157 23 F HN 0.568 nan 8.300 nan 0.000 0.564 24 S N 2.507 118.356 115.700 0.248 0.000 2.611 24 S HA 0.634 5.136 4.470 0.052 0.000 0.268 24 S C -1.573 173.111 174.600 0.140 0.000 1.156 24 S CA -1.078 57.221 58.200 0.165 0.000 0.817 24 S CB 1.408 64.679 63.200 0.119 0.000 1.122 24 S HN 0.572 nan 8.310 nan 0.000 0.466 25 K N 0.723 121.191 120.400 0.113 0.000 2.328 25 K HA 0.502 4.853 4.320 0.052 0.000 0.246 25 K C 0.357 177.002 176.600 0.074 0.000 0.955 25 K CA -0.829 55.511 56.287 0.089 0.000 0.817 25 K CB 1.594 34.142 32.500 0.080 0.000 1.208 25 K HN 0.634 nan 8.250 nan 0.000 0.432 26 T N -0.653 113.937 114.554 0.059 0.000 2.985 26 T HA -0.136 4.246 4.350 0.052 0.000 0.266 26 T C 1.777 176.500 174.700 0.039 0.000 1.076 26 T CA 1.660 63.788 62.100 0.046 0.000 1.135 26 T CB -0.187 68.703 68.868 0.037 0.000 0.890 26 T HN 0.836 nan 8.240 nan 0.000 0.480 27 T N -1.194 113.383 114.554 0.039 0.000 3.118 27 T HA 0.058 4.440 4.350 0.052 0.000 0.260 27 T C 0.932 175.652 174.700 0.034 0.000 1.139 27 T CA -0.199 61.920 62.100 0.031 0.000 1.085 27 T CB -0.945 67.941 68.868 0.030 0.000 0.934 27 T HN 0.410 nan 8.240 nan 0.000 0.518 28 C N 3.881 123.211 119.300 0.050 0.000 2.273 28 C HA 0.583 5.074 4.460 0.052 0.000 0.328 28 C C -0.919 174.100 174.990 0.049 0.000 1.275 28 C CA -2.218 56.837 59.018 0.062 0.000 1.704 28 C CB 1.401 29.202 27.740 0.102 0.000 2.326 28 C HN 0.267 nan 8.230 nan 0.000 0.517 29 P HA -0.098 nan 4.420 nan 0.000 0.217 29 P C 0.969 178.256 177.300 -0.023 0.000 1.151 29 P CA 1.494 64.561 63.100 -0.055 0.000 0.828 29 P CB -0.015 31.591 31.700 -0.156 0.000 0.788 30 Y N 0.221 120.536 120.300 0.024 0.000 2.207 30 Y HA -0.184 4.397 4.550 0.052 0.000 0.287 30 Y C 2.845 178.759 175.900 0.023 0.000 1.156 30 Y CA 0.658 58.772 58.100 0.024 0.000 1.182 30 Y CB -1.627 36.852 38.460 0.031 0.000 0.979 30 Y HN 0.050 nan 8.280 nan 0.000 0.521 31 C N -0.482 118.933 119.300 0.192 0.000 2.440 31 C HA -0.124 4.367 4.460 0.052 0.000 0.278 31 C C 2.771 177.812 174.990 0.084 0.000 1.295 31 C CA 0.766 59.859 59.018 0.125 0.000 1.738 31 C CB -0.619 27.191 27.740 0.116 0.000 1.987 31 C HN 0.388 nan 8.230 nan 0.000 0.492 32 K N 1.212 121.655 120.400 0.071 0.000 2.228 32 K HA -0.040 4.311 4.320 0.052 0.000 0.202 32 K C 1.959 178.584 176.600 0.040 0.000 1.051 32 K CA 0.983 57.301 56.287 0.051 0.000 0.960 32 K CB -0.179 32.343 32.500 0.037 0.000 0.743 32 K HN 0.501 nan 8.250 nan 0.000 0.458 33 K N 0.323 120.752 120.400 0.048 0.000 2.147 33 K HA -0.071 4.280 4.320 0.052 0.000 0.205 33 K C 1.974 178.584 176.600 0.017 0.000 1.049 33 K CA 1.014 57.324 56.287 0.038 0.000 0.936 33 K CB 0.066 32.606 32.500 0.067 0.000 0.722 33 K HN -0.056 nan 8.250 nan 0.000 0.446 34 V N 1.621 121.549 119.914 0.023 0.000 2.453 34 V HA -0.184 3.967 4.120 0.052 0.000 0.247 34 V C 1.923 177.989 176.094 -0.047 0.000 1.048 34 V CA 1.509 63.793 62.300 -0.028 0.000 1.049 34 V CB -0.323 31.488 31.823 -0.021 0.000 0.672 34 V HN 0.259 nan 8.190 nan 0.000 0.457 35 K N 0.132 120.532 120.400 0.001 0.000 2.147 35 K HA -0.208 4.143 4.320 0.052 0.000 0.205 35 K C 1.779 178.411 176.600 0.052 0.000 1.049 35 K CA 1.832 58.160 56.287 0.067 0.000 0.936 35 K CB -0.250 32.315 32.500 0.108 0.000 0.722 35 K HN 0.464 nan 8.250 nan 0.000 0.446 36 D N 0.061 120.466 120.400 0.009 0.000 2.117 36 D HA -0.121 4.550 4.640 0.052 0.000 0.198 36 D C 1.811 178.076 176.300 -0.058 0.000 0.982 36 D CA 0.838 54.831 54.000 -0.011 0.000 0.828 36 D CB -0.015 40.778 40.800 -0.012 0.000 0.967 36 D HN -0.084 nan 8.370 nan 0.000 0.464 37 V N 0.480 120.315 119.914 -0.132 0.000 2.323 37 V HA -0.164 3.987 4.120 0.052 0.000 0.244 37 V C 2.416 178.350 176.094 -0.267 0.000 1.041 37 V CA 1.119 63.224 62.300 -0.325 0.000 1.025 37 V CB -0.498 31.030 31.823 -0.490 0.000 0.656 37 V HN 0.204 nan 8.190 nan 0.000 0.451 38 L N 0.152 121.298 121.223 -0.128 0.000 2.191 38 L HA -0.128 4.244 4.340 0.052 0.000 0.212 38 L C 2.633 179.535 176.870 0.053 0.000 1.103 38 L CA 1.219 56.055 54.840 -0.008 0.000 0.769 38 L CB -0.741 41.355 42.059 0.062 0.000 0.908 38 L HN 0.356 nan 8.230 nan 0.000 0.438 39 A N -0.086 122.758 122.820 0.041 0.000 1.841 39 A HA -0.235 4.116 4.320 0.052 0.000 0.214 39 A C 2.220 179.825 177.584 0.034 0.000 1.195 39 A CA 1.613 53.672 52.037 0.036 0.000 0.611 39 A CB -0.475 18.541 19.000 0.028 0.000 0.835 39 A HN 0.391 nan 8.150 nan 0.000 0.443 40 E N -0.568 119.650 120.200 0.029 0.000 2.478 40 E HA 0.094 4.475 4.350 0.052 0.000 0.198 40 E C 1.441 178.114 176.600 0.122 0.000 1.046 40 E CA 0.471 56.910 56.400 0.065 0.000 0.870 40 E CB -0.100 29.642 29.700 0.070 0.000 0.818 40 E HN 0.558 nan 8.360 nan 0.000 0.527 41 A N 0.715 123.610 122.820 0.124 0.000 2.308 41 A HA 0.053 4.404 4.320 0.052 0.000 0.217 41 A C 0.294 177.947 177.584 0.114 0.000 1.216 41 A CA -0.111 52.044 52.037 0.197 0.000 0.864 41 A CB 0.157 19.319 19.000 0.270 0.000 0.902 41 A HN 0.104 nan 8.150 nan 0.000 0.499 42 K N -0.260 120.185 120.400 0.075 0.000 3.071 42 K HA -0.153 4.198 4.320 0.052 0.000 0.265 42 K C -0.493 176.135 176.600 0.046 0.000 1.060 42 K CA 0.668 56.983 56.287 0.048 0.000 0.767 42 K CB -2.010 30.513 32.500 0.040 0.000 1.241 42 K HN 0.424 nan 8.250 nan 0.000 0.486 43 I N 1.556 122.165 120.570 0.066 0.000 2.315 43 I HA 0.168 4.370 4.170 0.052 0.000 0.291 43 I C 0.861 177.024 176.117 0.078 0.000 1.006 43 I CA -0.398 60.949 61.300 0.078 0.000 1.265 43 I CB 1.174 39.236 38.000 0.103 0.000 1.387 43 I HN -0.061 nan 8.210 nan 0.000 0.475 44 K N 6.452 126.869 120.400 0.029 0.000 2.276 44 K HA 0.388 4.739 4.320 0.052 0.000 0.285 44 K C -0.521 176.103 176.600 0.040 0.000 1.062 44 K CA -0.417 55.847 56.287 -0.040 0.000 0.918 44 K CB 0.885 33.336 32.500 -0.081 0.000 1.055 44 K HN 0.668 nan 8.250 nan 0.000 0.477 45 H N -0.750 118.337 119.070 0.028 0.000 2.928 45 H HA 0.605 5.192 4.556 0.052 0.000 0.371 45 H C -1.357 174.051 175.328 0.132 0.000 1.186 45 H CA -1.106 54.982 56.048 0.067 0.000 1.134 45 H CB 1.302 31.089 29.762 0.042 0.000 1.824 45 H HN 0.503 nan 8.280 nan 0.000 0.554 46 A N 1.555 124.552 122.820 0.294 0.000 2.328 46 A HA 0.514 4.865 4.320 0.052 0.000 0.284 46 A C -0.416 177.278 177.584 0.183 0.000 1.160 46 A CA -0.452 51.727 52.037 0.235 0.000 0.818 46 A CB -0.011 19.026 19.000 0.063 0.000 1.087 46 A HN 0.762 nan 8.150 nan 0.000 0.504 47 T N 4.366 119.005 114.554 0.142 0.000 2.874 47 T HA 0.346 4.727 4.350 0.052 0.000 0.321 47 T C -0.120 174.587 174.700 0.012 0.000 1.075 47 T CA -0.204 61.963 62.100 0.110 0.000 0.966 47 T CB 0.055 69.030 68.868 0.178 0.000 1.001 47 T HN 0.438 nan 8.240 nan 0.000 0.476 48 I N 3.618 124.144 120.570 -0.074 0.000 2.352 48 I HA 0.199 4.401 4.170 0.052 0.000 0.290 48 I C 0.516 176.675 176.117 0.069 0.000 1.036 48 I CA -0.403 60.886 61.300 -0.019 0.000 1.336 48 I CB 0.754 38.705 38.000 -0.082 0.000 1.407 48 I HN 0.514 nan 8.210 nan 0.000 0.497 49 E N 7.375 127.624 120.200 0.083 0.000 2.035 49 E HA 0.216 4.597 4.350 0.052 0.000 0.271 49 E C 0.886 177.546 176.600 0.099 0.000 0.953 49 E CA -0.381 56.072 56.400 0.089 0.000 0.777 49 E CB 1.578 31.316 29.700 0.062 0.000 1.104 49 E HN 0.498 nan 8.360 nan 0.000 0.408 50 L N 1.786 123.085 121.223 0.127 0.000 2.291 50 L HA -0.149 4.222 4.340 0.052 0.000 0.214 50 L C 1.867 178.781 176.870 0.074 0.000 1.120 50 L CA 0.878 55.791 54.840 0.122 0.000 0.799 50 L CB -0.221 41.926 42.059 0.146 0.000 0.925 50 L HN 0.400 nan 8.230 nan 0.000 0.446 51 D N -0.370 120.067 120.400 0.063 0.000 2.312 51 D HA -0.207 4.465 4.640 0.052 0.000 0.211 51 D C 1.400 177.716 176.300 0.027 0.000 0.964 51 D CA 0.715 54.739 54.000 0.042 0.000 0.877 51 D CB -0.026 40.799 40.800 0.041 0.000 0.924 51 D HN 0.425 nan 8.370 nan 0.000 0.515 52 Q N -0.166 119.650 119.800 0.027 0.000 2.225 52 Q HA 0.314 4.685 4.340 0.052 0.000 0.259 52 Q C -0.914 175.082 176.000 -0.006 0.000 0.872 52 Q CA -0.311 55.498 55.803 0.009 0.000 1.042 52 Q CB 0.561 29.305 28.738 0.011 0.000 1.142 52 Q HN 0.112 nan 8.270 nan 0.000 0.463 53 L N -1.075 120.144 121.223 -0.006 0.000 2.493 53 L HA 0.272 4.643 4.340 0.052 0.000 0.265 53 L C 0.196 177.045 176.870 -0.034 0.000 0.954 53 L CA 0.113 54.932 54.840 -0.036 0.000 0.844 53 L CB 2.332 44.363 42.059 -0.047 0.000 1.302 53 L HN -0.222 nan 8.230 nan 0.000 0.405 54 S N 1.899 117.566 115.700 -0.054 0.000 2.605 54 S HA 0.184 4.685 4.470 0.052 0.000 0.217 54 S C 0.921 175.488 174.600 -0.056 0.000 0.958 54 S CA -0.002 58.172 58.200 -0.044 0.000 0.919 54 S CB -0.264 62.910 63.200 -0.042 0.000 0.780 54 S HN 0.652 nan 8.310 nan 0.000 0.507 55 N N 0.976 119.624 118.700 -0.087 0.000 2.299 55 N HA 0.062 4.834 4.740 0.052 0.000 0.187 55 N C 1.629 177.126 175.510 -0.022 0.000 1.099 55 N CA 0.348 53.343 53.050 -0.091 0.000 0.867 55 N CB 0.195 38.551 38.487 -0.218 0.000 0.974 55 N HN 0.444 nan 8.380 nan 0.000 0.477 56 G N 0.157 108.957 108.800 -0.001 0.000 2.551 56 G HA2 -0.143 3.848 3.960 0.052 0.000 0.216 56 G HA3 -0.143 3.848 3.960 0.052 0.000 0.216 56 G C 1.533 176.458 174.900 0.041 0.000 1.137 56 G CA 0.252 45.382 45.100 0.051 0.000 0.798 56 G HN 0.226 nan 8.290 nan 0.000 0.536 57 S N 0.431 116.143 115.700 0.022 0.000 2.413 57 S HA -0.112 4.389 4.470 0.052 0.000 0.237 57 S C 1.982 176.595 174.600 0.021 0.000 1.044 57 S CA 1.693 59.904 58.200 0.018 0.000 1.024 57 S CB -0.195 63.010 63.200 0.009 0.000 0.829 57 S HN 0.573 nan 8.310 nan 0.000 0.475 58 A N -0.414 122.422 122.820 0.027 0.000 2.701 58 A HA 0.446 4.797 4.320 0.052 0.000 0.297 58 A C 1.060 178.663 177.584 0.032 0.000 1.197 58 A CA -0.290 51.763 52.037 0.026 0.000 0.963 58 A CB -0.226 18.790 19.000 0.026 0.000 1.175 58 A HN 0.535 nan 8.150 nan 0.000 0.531 59 I N -2.938 117.650 120.570 0.031 0.000 2.556 59 I HA 0.053 4.254 4.170 0.052 0.000 0.251 59 I C 1.882 177.965 176.117 -0.056 0.000 1.105 59 I CA 1.086 62.387 61.300 0.002 0.000 1.436 59 I CB -1.031 36.991 38.000 0.036 0.000 1.139 59 I HN 0.193 nan 8.210 nan 0.000 0.438 60 Q N 1.412 121.193 119.800 -0.031 0.000 2.135 60 Q HA -0.136 4.235 4.340 0.052 0.000 0.204 60 Q C 1.935 177.917 176.000 -0.031 0.000 0.981 60 Q CA 1.454 57.235 55.803 -0.036 0.000 0.856 60 Q CB -0.179 28.558 28.738 -0.002 0.000 0.902 60 Q HN 0.486 nan 8.270 nan 0.000 0.425 61 K N -0.275 120.117 120.400 -0.014 0.000 2.155 61 K HA -0.059 4.292 4.320 0.052 0.000 0.203 61 K C 1.817 178.412 176.600 -0.008 0.000 1.052 61 K CA 0.748 57.030 56.287 -0.009 0.000 0.948 61 K CB -0.439 32.061 32.500 -0.000 0.000 0.728 61 K HN 0.196 nan 8.250 nan 0.000 0.448 62 C N 1.066 120.362 119.300 -0.007 0.000 2.697 62 C HA 0.256 4.747 4.460 0.052 0.000 0.267 62 C C 1.956 176.967 174.990 0.034 0.000 1.278 62 C CA -0.323 58.704 59.018 0.015 0.000 1.708 62 C CB -1.273 26.485 27.740 0.032 0.000 1.860 62 C HN 0.299 nan 8.230 nan 0.000 0.589 63 L N 0.310 121.518 121.223 -0.026 0.000 2.592 63 L HA 0.177 4.548 4.340 0.052 0.000 0.227 63 L C 2.454 179.341 176.870 0.027 0.000 1.127 63 L CA 0.653 55.483 54.840 -0.017 0.000 0.884 63 L CB -0.180 41.776 42.059 -0.172 0.000 1.065 63 L HN 0.346 nan 8.230 nan 0.000 0.457 64 A N -0.853 121.966 122.820 -0.002 0.000 2.067 64 A HA -0.111 4.240 4.320 0.052 0.000 0.219 64 A C 2.345 179.908 177.584 -0.035 0.000 1.158 64 A CA 1.520 53.541 52.037 -0.027 0.000 0.661 64 A CB -0.224 18.757 19.000 -0.030 0.000 0.801 64 A HN 0.337 nan 8.150 nan 0.000 0.452 65 S N -1.505 114.174 115.700 -0.034 0.000 2.527 65 S HA 0.130 4.631 4.470 0.052 0.000 0.222 65 S C 0.997 175.411 174.600 -0.310 0.000 0.985 65 S CA 0.632 58.724 58.200 -0.181 0.000 0.921 65 S CB -0.297 62.747 63.200 -0.260 0.000 0.772 65 S HN 0.601 nan 8.310 nan 0.000 0.529 66 F N 0.724 120.662 119.950 -0.019 0.000 2.637 66 F HA 0.177 4.735 4.527 0.052 0.000 0.284 66 F C 2.064 177.875 175.800 0.019 0.000 1.105 66 F CA 0.425 58.466 58.000 0.068 0.000 1.356 66 F CB 0.390 39.492 39.000 0.170 0.000 1.096 66 F HN 0.175 nan 8.300 nan 0.000 0.616 67 S N -1.731 113.979 115.700 0.017 0.000 2.787 67 S HA 0.199 4.700 4.470 0.052 0.000 0.255 67 S C 0.707 175.187 174.600 -0.200 0.000 1.051 67 S CA -0.343 57.684 58.200 -0.289 0.000 1.124 67 S CB 0.025 62.568 63.200 -1.094 0.000 1.104 67 S HN 0.190 nan 8.310 nan 0.000 0.623 68 K N 0.756 121.092 120.400 -0.107 0.000 3.274 68 K HA -0.184 4.167 4.320 0.052 0.000 0.300 68 K C 0.109 176.658 176.600 -0.084 0.000 1.230 68 K CA 1.281 57.522 56.287 -0.077 0.000 0.884 68 K CB -1.983 30.487 32.500 -0.050 0.000 1.242 68 K HN 0.866 nan 8.250 nan 0.000 0.467 69 I N -3.476 117.018 120.570 -0.125 0.000 3.445 69 I HA 0.381 4.583 4.170 0.052 0.000 0.303 69 I C 0.626 176.696 176.117 -0.079 0.000 1.129 69 I CA -0.642 60.598 61.300 -0.100 0.000 0.989 69 I CB 1.843 39.774 38.000 -0.115 0.000 1.314 69 I HN 0.115 nan 8.210 nan 0.000 0.488 70 E N -0.105 120.065 120.200 -0.049 0.000 2.703 70 E HA 0.132 4.513 4.350 0.052 0.000 0.214 70 E C -0.455 176.142 176.600 -0.004 0.000 0.944 70 E CA -0.246 56.137 56.400 -0.028 0.000 1.299 70 E CB 0.350 30.040 29.700 -0.018 0.000 1.189 70 E HN 0.759 nan 8.360 nan 0.000 0.597 71 T N -0.057 114.499 114.554 0.003 0.000 2.922 71 T HA 0.560 4.942 4.350 0.052 0.000 0.285 71 T C 0.486 175.219 174.700 0.056 0.000 1.005 71 T CA -0.513 61.605 62.100 0.032 0.000 1.061 71 T CB 1.913 70.797 68.868 0.027 0.000 1.007 71 T HN 0.206 nan 8.240 nan 0.000 0.502 72 V N -0.257 119.708 119.914 0.085 0.000 2.630 72 V HA 0.751 4.903 4.120 0.052 0.000 0.305 72 V C -2.429 173.740 176.094 0.125 0.000 1.046 72 V CA -2.610 59.762 62.300 0.120 0.000 0.934 72 V CB 0.894 32.796 31.823 0.131 0.000 1.003 72 V HN 0.878 nan 8.190 nan 0.000 0.451 73 P HA 0.400 nan 4.420 nan 0.000 0.276 73 P C -1.223 176.206 177.300 0.215 0.000 1.252 73 P CA -0.430 62.767 63.100 0.162 0.000 0.802 73 P CB 0.890 32.665 31.700 0.124 0.000 1.035 74 Q N 0.461 120.456 119.800 0.324 0.000 2.589 74 Q HA 0.384 4.755 4.340 0.052 0.000 0.245 74 Q C -0.689 175.683 176.000 0.620 0.000 0.931 74 Q CA -0.200 55.911 55.803 0.514 0.000 0.730 74 Q CB 1.547 30.580 28.738 0.491 0.000 1.315 74 Q HN 0.442 nan 8.270 nan 0.000 0.469 75 M N 2.836 122.657 119.600 0.368 0.000 2.162 75 M HA 0.440 4.951 4.480 0.052 0.000 0.356 75 M C -1.514 174.908 176.300 0.202 0.000 1.303 75 M CA 0.035 55.471 55.300 0.227 0.000 1.116 75 M CB 0.436 33.040 32.600 0.006 0.000 1.632 75 M HN 0.395 nan 8.290 nan 0.000 0.469 76 F N 3.343 123.379 119.950 0.144 0.000 2.538 76 F HA 0.661 5.219 4.527 0.052 0.000 0.325 76 F C -0.517 175.315 175.800 0.054 0.000 1.066 76 F CA -0.711 57.374 58.000 0.142 0.000 0.946 76 F CB 2.113 41.235 39.000 0.204 0.000 1.199 76 F HN 0.192 nan 8.300 nan 0.000 0.473 77 V N 2.533 122.568 119.914 0.203 0.000 2.445 77 V HA 0.406 4.557 4.120 0.052 0.000 0.283 77 V C -0.417 175.766 176.094 0.148 0.000 1.014 77 V CA -1.189 61.187 62.300 0.128 0.000 0.852 77 V CB 1.153 32.991 31.823 0.025 0.000 1.021 77 V HN 0.734 nan 8.190 nan 0.000 0.435 78 R N 3.303 123.908 120.500 0.175 0.000 3.246 78 R HA -0.199 4.172 4.340 0.052 0.000 0.260 78 R C 1.292 177.701 176.300 0.182 0.000 1.034 78 R CA 0.771 56.973 56.100 0.170 0.000 0.691 78 R CB -1.484 28.907 30.300 0.151 0.000 1.186 78 R HN 1.585 nan 8.270 nan 0.000 0.416 79 G N -0.692 108.239 108.800 0.219 0.000 2.363 79 G HA2 -0.381 3.610 3.960 0.052 0.000 0.238 79 G HA3 -0.381 3.610 3.960 0.052 0.000 0.238 79 G C 0.149 175.294 174.900 0.409 0.000 1.062 79 G CA 0.729 45.979 45.100 0.251 0.000 0.629 79 G HN 0.334 nan 8.290 nan 0.000 0.514 80 K N 0.311 120.903 120.400 0.320 0.000 2.156 80 K HA 0.574 4.926 4.320 0.052 0.000 0.271 80 K C -0.286 176.398 176.600 0.140 0.000 0.995 80 K CA -0.830 55.613 56.287 0.260 0.000 0.890 80 K CB 1.593 34.173 32.500 0.134 0.000 1.073 80 K HN 0.189 nan 8.250 nan 0.000 0.454 81 F N 3.006 122.811 119.950 -0.241 0.000 2.459 81 F HA 0.045 4.603 4.527 0.052 0.000 0.346 81 F C 1.034 176.637 175.800 -0.328 0.000 1.128 81 F CA -0.103 57.464 58.000 -0.723 0.000 1.268 81 F CB 0.549 39.123 39.000 -0.709 0.000 1.161 81 F HN 0.543 nan 8.300 nan 0.000 0.583 82 I N 1.023 120.890 120.570 -1.171 0.000 4.530 82 I HA 0.693 4.894 4.170 0.052 0.000 0.318 82 I C 0.351 175.900 176.117 -0.946 0.000 1.257 82 I CA 0.423 61.247 61.300 -0.793 0.000 1.301 82 I CB 0.522 38.276 38.000 -0.410 0.000 1.297 82 I HN 0.728 nan 8.210 nan 0.000 0.451 83 G N 1.686 109.583 108.800 -1.504 0.000 2.333 83 G HA2 0.206 4.197 3.960 0.052 0.000 0.330 83 G HA3 0.206 4.197 3.960 0.052 0.000 0.330 83 G C -1.654 173.127 174.900 -0.198 0.000 1.465 83 G CA -0.228 44.425 45.100 -0.744 0.000 0.996 83 G HN 0.447 nan 8.290 nan 0.000 0.655 84 D N -0.517 119.913 120.400 0.050 0.000 2.469 84 D HA 0.375 5.046 4.640 0.052 0.000 0.278 84 D C 1.747 178.028 176.300 -0.031 0.000 1.231 84 D CA 0.319 54.354 54.000 0.058 0.000 1.075 84 D CB 0.507 41.349 40.800 0.070 0.000 1.121 84 D HN 0.346 nan 8.370 nan 0.000 0.571 85 S N -0.729 114.924 115.700 -0.078 0.000 2.399 85 S HA -0.325 4.176 4.470 0.052 0.000 0.235 85 S C 1.788 176.340 174.600 -0.081 0.000 1.063 85 S CA 2.022 60.165 58.200 -0.095 0.000 1.070 85 S CB -0.529 62.526 63.200 -0.242 0.000 0.904 85 S HN 0.627 nan 8.310 nan 0.000 0.456 86 Q N 0.339 120.070 119.800 -0.115 0.000 2.049 86 Q HA -0.101 4.270 4.340 0.052 0.000 0.198 86 Q C 1.770 177.736 176.000 -0.058 0.000 0.971 86 Q CA 1.636 57.389 55.803 -0.082 0.000 0.833 86 Q CB -0.199 28.481 28.738 -0.096 0.000 0.896 86 Q HN 0.613 nan 8.270 nan 0.000 0.434 87 T N 0.005 114.526 114.554 -0.055 0.000 3.043 87 T HA 0.005 4.386 4.350 0.052 0.000 0.263 87 T C 1.858 176.577 174.700 0.032 0.000 1.094 87 T CA 0.710 62.775 62.100 -0.059 0.000 1.127 87 T CB 0.119 68.952 68.868 -0.059 0.000 0.905 87 T HN 0.049 nan 8.240 nan 0.000 0.490 88 V N 1.624 121.556 119.914 0.031 0.000 2.307 88 V HA -0.063 4.089 4.120 0.052 0.000 0.245 88 V C 2.450 178.608 176.094 0.107 0.000 1.045 88 V CA 1.415 63.756 62.300 0.069 0.000 1.024 88 V CB -0.599 31.224 31.823 -0.001 0.000 0.651 88 V HN 0.411 nan 8.190 nan 0.000 0.449 89 L N 0.170 121.430 121.223 0.061 0.000 2.093 89 L HA -0.180 4.192 4.340 0.052 0.000 0.208 89 L C 2.619 179.557 176.870 0.113 0.000 1.085 89 L CA 1.801 56.704 54.840 0.104 0.000 0.755 89 L CB -0.650 41.447 42.059 0.063 0.000 0.904 89 L HN 0.353 nan 8.230 nan 0.000 0.435 90 K N -0.018 120.391 120.400 0.016 0.000 2.063 90 K HA -0.246 4.105 4.320 0.052 0.000 0.208 90 K C 1.990 178.544 176.600 -0.077 0.000 1.048 90 K CA 1.809 58.047 56.287 -0.081 0.000 0.928 90 K CB -0.275 32.101 32.500 -0.207 0.000 0.713 90 K HN 0.195 nan 8.250 nan 0.000 0.442 91 Y N -0.582 119.737 120.300 0.032 0.000 2.583 91 Y HA -0.090 4.491 4.550 0.053 0.000 0.293 91 Y C 1.782 177.732 175.900 0.084 0.000 1.157 91 Y CA 0.513 58.631 58.100 0.031 0.000 1.315 91 Y CB -0.183 38.280 38.460 0.005 0.000 1.021 91 Y HN 0.237 nan 8.280 nan 0.000 0.536 92 Y N -1.312 119.053 120.300 0.108 0.000 2.389 92 Y HA 0.061 4.642 4.550 0.052 0.000 0.292 92 Y C 2.334 178.260 175.900 0.043 0.000 1.117 92 Y CA 0.885 59.026 58.100 0.067 0.000 1.195 92 Y CB -0.242 38.248 38.460 0.049 0.000 1.076 92 Y HN -0.145 nan 8.280 nan 0.000 0.548 93 S N 0.866 116.566 115.700 -0.000 0.000 2.720 93 S HA -0.016 4.486 4.470 0.052 0.000 0.222 93 S C 0.625 175.167 174.600 -0.098 0.000 0.958 93 S CA 0.814 58.962 58.200 -0.086 0.000 0.943 93 S CB -1.071 62.133 63.200 0.006 0.000 0.779 93 S HN 0.778 nan 8.310 nan 0.000 0.526 94 N N -0.863 117.786 118.700 -0.086 0.000 2.184 94 N HA 0.121 4.893 4.740 0.052 0.000 0.234 94 N C -0.855 174.621 175.510 -0.057 0.000 1.282 94 N CA -0.088 52.929 53.050 -0.056 0.000 0.877 94 N CB 0.569 39.046 38.487 -0.017 0.000 1.184 94 N HN -0.022 nan 8.380 nan 0.000 0.510 95 D N 0.848 121.183 120.400 -0.109 0.000 3.077 95 D HA -0.145 4.526 4.640 0.052 0.000 0.212 95 D C 0.647 176.940 176.300 -0.012 0.000 1.125 95 D CA 0.791 54.742 54.000 -0.083 0.000 0.970 95 D CB -0.940 39.821 40.800 -0.065 0.000 1.110 95 D HN 0.479 nan 8.370 nan 0.000 0.419 96 E N -0.411 119.813 120.200 0.040 0.000 2.427 96 E HA -0.055 4.327 4.350 0.052 0.000 0.196 96 E C 2.011 178.635 176.600 0.039 0.000 1.028 96 E CA 0.055 56.507 56.400 0.086 0.000 0.864 96 E CB 0.174 30.022 29.700 0.248 0.000 0.813 96 E HN 0.277 nan 8.360 nan 0.000 0.514 97 L N 0.694 121.962 121.223 0.074 0.000 2.044 97 L HA -0.019 4.352 4.340 0.052 0.000 0.205 97 L C 2.229 179.107 176.870 0.012 0.000 1.075 97 L CA 1.625 56.500 54.840 0.059 0.000 0.747 97 L CB -0.681 41.496 42.059 0.197 0.000 0.903 97 L HN -0.021 nan 8.230 nan 0.000 0.435 98 A N -1.002 121.836 122.820 0.030 0.000 2.070 98 A HA -0.059 4.292 4.320 0.052 0.000 0.220 98 A C 2.219 179.795 177.584 -0.015 0.000 1.159 98 A CA 1.471 53.517 52.037 0.014 0.000 0.656 98 A CB -1.162 17.850 19.000 0.020 0.000 0.800 98 A HN 0.501 nan 8.150 nan 0.000 0.453 99 G N -0.779 108.002 108.800 -0.031 0.000 2.539 99 G HA2 0.072 4.063 3.960 0.052 0.000 0.215 99 G HA3 0.072 4.063 3.960 0.052 0.000 0.215 99 G C 1.370 176.215 174.900 -0.090 0.000 1.141 99 G CA 0.892 45.962 45.100 -0.049 0.000 0.806 99 G HN 0.440 nan 8.290 nan 0.000 0.533 100 I N 1.469 121.951 120.570 -0.147 0.000 2.480 100 I HA -0.025 4.176 4.170 0.052 0.000 0.251 100 I C 2.781 178.811 176.117 -0.146 0.000 1.124 100 I CA 0.973 62.136 61.300 -0.227 0.000 1.444 100 I CB 0.082 37.784 38.000 -0.496 0.000 1.098 100 I HN 0.058 nan 8.210 nan 0.000 0.428 101 V N -0.829 119.028 119.914 -0.095 0.000 2.407 101 V HA -0.191 3.960 4.120 0.052 0.000 0.248 101 V C 2.219 178.300 176.094 -0.022 0.000 1.055 101 V CA 2.271 64.546 62.300 -0.042 0.000 1.049 101 V CB -1.543 30.276 31.823 -0.007 0.000 0.662 101 V HN 0.439 nan 8.190 nan 0.000 0.455 102 N N 0.749 119.431 118.700 -0.029 0.000 2.459 102 N HA -0.082 4.689 4.740 0.052 0.000 0.181 102 N C 0.960 176.452 175.510 -0.030 0.000 1.046 102 N CA 0.586 53.622 53.050 -0.023 0.000 0.904 102 N CB -0.384 38.088 38.487 -0.026 0.000 0.964 102 N HN 0.821 nan 8.380 nan 0.000 0.444 103 E N 0.394 120.568 120.200 -0.043 0.000 2.493 103 E HA 0.002 4.383 4.350 0.052 0.000 0.255 103 E C -0.983 175.605 176.600 -0.020 0.000 0.999 103 E CA 0.298 56.671 56.400 -0.044 0.000 0.934 103 E CB 0.162 29.824 29.700 -0.064 0.000 0.940 103 E HN 0.024 nan 8.360 nan 0.000 0.473 104 S N 3.601 119.288 115.700 -0.023 0.000 2.548 104 S HA 0.183 4.684 4.470 0.052 0.000 0.276 104 S C 0.344 174.920 174.600 -0.040 0.000 1.129 104 S CA -0.829 57.373 58.200 0.004 0.000 0.931 104 S CB 1.594 64.808 63.200 0.023 0.000 1.068 104 S HN 0.674 nan 8.310 nan 0.000 0.480 105 K N 2.473 122.833 120.400 -0.067 0.000 2.148 105 K HA 0.012 4.363 4.320 0.052 0.000 0.204 105 K C -0.457 175.881 176.600 -0.435 0.000 1.050 105 K CA 1.314 57.434 56.287 -0.278 0.000 0.942 105 K CB 0.017 32.280 32.500 -0.394 0.000 0.724 105 K HN 0.676 nan 8.250 nan 0.000 0.446 106 Y N -0.433 119.873 120.300 0.010 0.000 2.675 106 Y HA 0.139 4.722 4.550 0.055 0.000 0.328 106 Y C 1.138 177.016 175.900 -0.036 0.000 1.092 106 Y CA -1.106 57.004 58.100 0.017 0.000 1.190 106 Y CB 0.645 39.157 38.460 0.085 0.000 1.350 106 Y HN -0.172 nan 8.280 nan 0.000 0.525 107 D N -0.316 120.161 120.400 0.128 0.000 2.123 107 D HA -0.149 4.522 4.640 0.052 0.000 0.196 107 D C -0.713 175.347 176.300 -0.400 0.000 0.992 107 D CA 2.060 55.953 54.000 -0.177 0.000 0.833 107 D CB 0.079 40.795 40.800 -0.140 0.000 0.954 107 D HN 0.348 nan 8.370 nan 0.000 0.455 108 Y N -0.427 119.962 120.300 0.149 0.000 2.524 108 Y HA 0.176 4.759 4.550 0.055 0.000 0.347 108 Y C 0.856 176.834 175.900 0.129 0.000 1.005 108 Y CA -1.018 57.144 58.100 0.103 0.000 1.025 108 Y CB 1.645 40.141 38.460 0.061 0.000 1.275 108 Y HN -0.297 nan 8.280 nan 0.000 0.460 109 D N 0.977 121.543 120.400 0.277 0.000 2.178 109 D HA -0.054 4.618 4.640 0.052 0.000 0.202 109 D C -0.235 176.256 176.300 0.318 0.000 0.974 109 D CA 1.592 55.763 54.000 0.285 0.000 0.841 109 D CB 0.554 41.480 40.800 0.209 0.000 0.953 109 D HN 0.222 nan 8.370 nan 0.000 0.478 110 L N 0.412 121.753 121.223 0.197 0.000 2.464 110 L HA 0.411 4.782 4.340 0.052 0.000 0.266 110 L C -1.674 175.229 176.870 0.054 0.000 0.965 110 L CA -0.565 54.374 54.840 0.165 0.000 0.833 110 L CB 2.211 44.345 42.059 0.126 0.000 1.296 110 L HN -0.231 nan 8.230 nan 0.000 0.405 111 I N 5.404 125.996 120.570 0.037 0.000 2.389 111 I HA 0.466 4.667 4.170 0.052 0.000 0.288 111 I C -0.769 175.343 176.117 -0.010 0.000 0.999 111 I CA -0.971 60.306 61.300 -0.039 0.000 1.129 111 I CB 1.981 39.966 38.000 -0.026 0.000 1.288 111 I HN 0.293 nan 8.210 nan 0.000 0.444 112 V N 7.576 127.472 119.914 -0.030 0.000 2.333 112 V HA 0.353 4.504 4.120 0.052 0.000 0.274 112 V C 0.267 176.362 176.094 0.000 0.000 1.028 112 V CA -0.433 61.867 62.300 0.002 0.000 0.851 112 V CB 1.344 33.169 31.823 0.004 0.000 1.000 112 V HN 0.481 nan 8.190 nan 0.000 0.456 113 I N 5.209 125.789 120.570 0.016 0.000 2.308 113 I HA 0.612 4.814 4.170 0.052 0.000 0.293 113 I C 0.868 177.006 176.117 0.036 0.000 1.078 113 I CA 0.283 61.596 61.300 0.022 0.000 1.292 113 I CB 0.561 38.575 38.000 0.023 0.000 1.423 113 I HN 0.861 nan 8.210 nan 0.000 0.493 114 G N 3.773 112.598 108.800 0.043 0.000 3.233 114 G HA2 0.034 4.025 3.960 0.052 0.000 0.686 114 G HA3 0.034 4.025 3.960 0.052 0.000 0.686 114 G C -0.124 174.796 174.900 0.034 0.000 1.153 114 G CA -0.552 44.577 45.100 0.048 0.000 0.853 114 G HN 0.930 nan 8.290 nan 0.000 0.582 115 G N 0.776 109.597 108.800 0.034 0.000 4.637 115 G HA2 0.699 4.690 3.960 0.052 0.000 0.308 115 G HA3 0.699 4.690 3.960 0.052 0.000 0.308 115 G C 0.781 175.634 174.900 -0.078 0.000 1.377 115 G CA 0.856 45.949 45.100 -0.012 0.000 1.176 115 G HN 1.268 nan 8.290 nan 0.000 0.601 116 G N 0.149 108.915 108.800 -0.058 0.000 2.849 116 G HA2 0.389 4.381 3.960 0.052 0.000 0.174 116 G HA3 0.389 4.381 3.960 0.052 0.000 0.174 116 G C 1.192 176.020 174.900 -0.119 0.000 1.370 116 G CA 0.368 45.418 45.100 -0.083 0.000 1.040 116 G HN 0.186 nan 8.290 nan 0.000 0.582 117 S N -0.203 115.451 115.700 -0.077 0.000 2.343 117 S HA -0.086 4.415 4.470 0.052 0.000 0.219 117 S C 2.458 177.038 174.600 -0.032 0.000 1.033 117 S CA 1.692 59.854 58.200 -0.063 0.000 1.014 117 S CB -0.750 62.436 63.200 -0.023 0.000 0.915 117 S HN 0.733 nan 8.310 nan 0.000 0.435 118 G N 1.019 109.816 108.800 -0.004 0.000 2.402 118 G HA2 0.027 4.018 3.960 0.052 0.000 0.216 118 G HA3 0.027 4.018 3.960 0.052 0.000 0.216 118 G C 1.413 176.320 174.900 0.012 0.000 1.162 118 G CA 0.919 46.028 45.100 0.016 0.000 0.777 118 G HN 0.557 nan 8.290 nan 0.000 0.539 119 G N 1.301 110.102 108.800 0.001 0.000 2.639 119 G HA2 -0.240 3.751 3.960 0.052 0.000 0.216 119 G HA3 -0.240 3.751 3.960 0.052 0.000 0.216 119 G C 1.795 176.687 174.900 -0.014 0.000 1.267 119 G CA 0.999 46.099 45.100 0.000 0.000 0.801 119 G HN 0.387 nan 8.290 nan 0.000 0.592 120 L N 0.908 122.099 121.223 -0.054 0.000 1.997 120 L HA -0.215 4.156 4.340 0.052 0.000 0.216 120 L C 3.499 180.363 176.870 -0.011 0.000 1.074 120 L CA 1.437 56.240 54.840 -0.061 0.000 0.763 120 L CB -0.689 41.271 42.059 -0.165 0.000 0.890 120 L HN 0.347 nan 8.230 nan 0.000 0.434 121 A N -0.063 122.756 122.820 -0.002 0.000 1.903 121 A HA -0.282 4.069 4.320 0.052 0.000 0.219 121 A C 2.514 180.120 177.584 0.038 0.000 1.191 121 A CA 2.330 54.384 52.037 0.027 0.000 0.638 121 A CB -0.848 18.169 19.000 0.027 0.000 0.823 121 A HN 0.476 nan 8.150 nan 0.000 0.451 122 A N -0.751 122.091 122.820 0.037 0.000 1.841 122 A HA 0.161 4.512 4.320 0.052 0.000 0.214 122 A C 2.518 180.124 177.584 0.036 0.000 1.195 122 A CA 1.978 54.047 52.037 0.053 0.000 0.611 122 A CB -1.560 17.473 19.000 0.054 0.000 0.835 122 A HN 0.855 nan 8.150 nan 0.000 0.443 123 G N -0.554 108.253 108.800 0.011 0.000 2.469 123 G HA2 -0.274 3.718 3.960 0.052 0.000 0.219 123 G HA3 -0.274 3.718 3.960 0.052 0.000 0.219 123 G C 1.683 176.566 174.900 -0.028 0.000 1.150 123 G CA 1.193 46.283 45.100 -0.017 0.000 0.763 123 G HN 0.522 nan 8.290 nan 0.000 0.561 124 K N -0.190 120.203 120.400 -0.011 0.000 2.147 124 K HA -0.073 4.278 4.320 0.052 0.000 0.205 124 K C 2.402 178.976 176.600 -0.044 0.000 1.049 124 K CA 1.310 57.584 56.287 -0.022 0.000 0.936 124 K CB 0.016 32.518 32.500 0.003 0.000 0.722 124 K HN 0.297 nan 8.250 nan 0.000 0.446 125 E N 0.408 120.606 120.200 -0.004 0.000 2.060 125 E HA -0.020 4.361 4.350 0.052 0.000 0.189 125 E C 1.690 178.306 176.600 0.026 0.000 0.974 125 E CA 1.113 57.526 56.400 0.022 0.000 0.808 125 E CB -0.087 29.697 29.700 0.140 0.000 0.768 125 E HN 0.239 nan 8.360 nan 0.000 0.453 126 A N 1.135 123.983 122.820 0.047 0.000 1.892 126 A HA -0.204 4.148 4.320 0.052 0.000 0.218 126 A C 2.449 179.937 177.584 -0.160 0.000 1.188 126 A CA 2.414 54.427 52.037 -0.040 0.000 0.631 126 A CB -1.239 17.617 19.000 -0.239 0.000 0.822 126 A HN 0.374 nan 8.150 nan 0.000 0.447 127 A N -0.665 122.056 122.820 -0.166 0.000 2.024 127 A HA -0.199 4.152 4.320 0.052 0.000 0.220 127 A C 2.067 179.539 177.584 -0.186 0.000 1.164 127 A CA 1.945 53.889 52.037 -0.155 0.000 0.643 127 A CB -0.451 18.485 19.000 -0.107 0.000 0.806 127 A HN 0.582 nan 8.150 nan 0.000 0.451 128 K N -1.714 118.506 120.400 -0.301 0.000 2.209 128 K HA -0.122 4.229 4.320 0.052 0.000 0.204 128 K C 0.266 176.522 176.600 -0.572 0.000 1.048 128 K CA 1.349 57.333 56.287 -0.504 0.000 0.940 128 K CB -0.166 31.876 32.500 -0.763 0.000 0.729 128 K HN 0.721 nan 8.250 nan 0.000 0.451 129 Y N -1.051 119.210 120.300 -0.065 0.000 2.658 129 Y HA 0.269 4.849 4.550 0.051 0.000 0.276 129 Y C 1.209 177.097 175.900 -0.020 0.000 1.167 129 Y CA -0.006 58.073 58.100 -0.036 0.000 1.230 129 Y CB 0.917 39.385 38.460 0.013 0.000 1.144 129 Y HN 0.163 nan 8.280 nan 0.000 0.529 130 G N 0.139 108.950 108.800 0.018 0.000 2.424 130 G HA2 -0.215 3.776 3.960 0.052 0.000 0.207 130 G HA3 -0.215 3.776 3.960 0.052 0.000 0.207 130 G C 0.621 175.495 174.900 -0.043 0.000 1.061 130 G CA -0.505 44.607 45.100 0.020 0.000 0.657 130 G HN 0.620 nan 8.290 nan 0.000 0.508 131 A N 1.487 124.208 122.820 -0.164 0.000 2.592 131 A HA 0.338 4.690 4.320 0.052 0.000 0.250 131 A C 0.723 178.223 177.584 -0.140 0.000 1.017 131 A CA 1.371 53.225 52.037 -0.305 0.000 0.794 131 A CB -0.046 18.364 19.000 -0.983 0.000 0.917 131 A HN 0.549 nan 8.150 nan 0.000 0.515 132 K N 2.876 123.267 120.400 -0.014 0.000 2.336 132 K HA 0.149 4.500 4.320 0.052 0.000 0.290 132 K C -0.372 176.327 176.600 0.166 0.000 1.067 132 K CA 0.339 56.678 56.287 0.086 0.000 0.962 132 K CB 0.024 32.590 32.500 0.110 0.000 1.008 132 K HN 0.754 nan 8.250 nan 0.000 0.467 133 T N 1.688 116.285 114.554 0.072 0.000 2.859 133 T HA 0.507 4.888 4.350 0.052 0.000 0.281 133 T C -0.814 173.803 174.700 -0.138 0.000 1.005 133 T CA -0.685 61.397 62.100 -0.029 0.000 1.025 133 T CB 1.660 70.469 68.868 -0.099 0.000 0.977 133 T HN 0.552 nan 8.240 nan 0.000 0.458 134 A N 2.550 125.169 122.820 -0.336 0.000 2.340 134 A HA 0.665 5.016 4.320 0.052 0.000 0.297 134 A C -0.625 176.818 177.584 -0.235 0.000 1.195 134 A CA -0.594 51.144 52.037 -0.499 0.000 0.769 134 A CB 0.773 19.038 19.000 -1.225 0.000 1.163 134 A HN 0.660 nan 8.150 nan 0.000 0.472 135 V N 4.434 124.286 119.914 -0.104 0.000 2.350 135 V HA 0.353 4.504 4.120 0.052 0.000 0.276 135 V C -0.206 175.905 176.094 0.029 0.000 1.028 135 V CA -0.128 62.167 62.300 -0.008 0.000 0.860 135 V CB 0.935 32.787 31.823 0.049 0.000 0.990 135 V HN 0.737 nan 8.190 nan 0.000 0.453 136 L N 4.526 125.751 121.223 0.003 0.000 2.295 136 L HA 0.717 5.089 4.340 0.052 0.000 0.285 136 L C -0.640 176.272 176.870 0.070 0.000 1.035 136 L CA -0.384 54.456 54.840 -0.000 0.000 0.806 136 L CB 1.556 43.596 42.059 -0.032 0.000 1.214 136 L HN 0.567 nan 8.230 nan 0.000 0.426 137 D N 1.422 121.887 120.400 0.110 0.000 2.855 137 D HA 0.382 5.054 4.640 0.052 0.000 0.241 137 D C -1.733 174.661 176.300 0.156 0.000 1.277 137 D CA -0.277 53.810 54.000 0.146 0.000 0.918 137 D CB 1.509 42.425 40.800 0.193 0.000 1.462 137 D HN 0.363 nan 8.370 nan 0.000 0.559 138 Y N 3.874 124.168 120.300 -0.010 0.000 2.391 138 Y HA 0.595 5.154 4.550 0.014 0.000 0.341 138 Y C -1.767 174.089 175.900 -0.074 0.000 0.965 138 Y CA -0.896 57.174 58.100 -0.050 0.000 1.067 138 Y CB 1.591 40.018 38.460 -0.056 0.000 1.199 138 Y HN 0.204 nan 8.280 nan 0.000 0.450 139 V N 6.503 125.963 119.914 -0.757 0.000 2.347 139 V HA 0.237 4.388 4.120 0.052 0.000 0.280 139 V C -0.126 175.204 176.094 -1.274 0.000 1.021 139 V CA -0.848 60.934 62.300 -0.863 0.000 0.847 139 V CB 1.196 32.468 31.823 -0.919 0.000 0.990 139 V HN 0.793 nan 8.190 nan 0.000 0.444 140 E N 6.608 126.219 120.200 -0.982 0.000 2.290 140 E HA 0.265 4.646 4.350 0.052 0.000 0.277 140 E C -2.327 174.018 176.600 -0.425 0.000 1.035 140 E CA -1.724 54.294 56.400 -0.637 0.000 0.873 140 E CB 1.148 30.736 29.700 -0.188 0.000 1.029 140 E HN 0.442 nan 8.360 nan 0.000 0.419 141 P HA -0.036 nan 4.420 nan 0.000 0.267 141 P C -0.770 176.466 177.300 -0.107 0.000 1.200 141 P CA 0.068 63.036 63.100 -0.220 0.000 0.772 141 P CB 0.458 32.088 31.700 -0.116 0.000 0.855 142 T N 2.693 117.224 114.554 -0.039 0.000 2.813 142 T HA 0.102 4.483 4.350 0.052 0.000 0.297 142 T C -1.400 173.322 174.700 0.037 0.000 1.036 142 T CA -1.198 60.943 62.100 0.068 0.000 1.044 142 T CB -0.578 68.392 68.868 0.170 0.000 0.993 142 T HN 0.293 nan 8.240 nan 0.000 0.535 143 P HA -0.192 nan 4.420 nan 0.000 0.219 143 P C 1.644 178.944 177.300 0.001 0.000 1.158 143 P CA 1.340 64.421 63.100 -0.031 0.000 0.895 143 P CB -0.254 31.383 31.700 -0.104 0.000 0.792 144 I N -5.291 115.312 120.570 0.055 0.000 3.111 144 I HA 0.236 4.437 4.170 0.052 0.000 0.272 144 I C 1.249 177.401 176.117 0.058 0.000 1.268 144 I CA 1.159 62.497 61.300 0.063 0.000 1.467 144 I CB -0.584 37.478 38.000 0.103 0.000 1.087 144 I HN 0.135 nan 8.210 nan 0.000 0.467 145 G N 1.045 109.873 108.800 0.046 0.000 2.183 145 G HA2 -0.190 3.801 3.960 0.052 0.000 0.168 145 G HA3 -0.190 3.801 3.960 0.052 0.000 0.168 145 G C 0.143 175.057 174.900 0.024 0.000 1.008 145 G CA 0.042 45.158 45.100 0.027 0.000 0.677 145 G HN 0.397 nan 8.290 nan 0.000 0.498 146 T N 2.304 116.895 114.554 0.061 0.000 2.851 146 T HA 0.566 4.947 4.350 0.052 0.000 0.298 146 T C 0.573 175.240 174.700 -0.055 0.000 0.977 146 T CA 0.964 63.131 62.100 0.110 0.000 1.126 146 T CB 1.457 70.485 68.868 0.267 0.000 0.916 146 T HN 0.806 nan 8.240 nan 0.000 0.529 147 T N 0.093 114.611 114.554 -0.061 0.000 2.778 147 T HA 0.839 5.220 4.350 0.052 0.000 0.293 147 T C -1.419 173.286 174.700 0.009 0.000 1.144 147 T CA -1.235 60.623 62.100 -0.403 0.000 1.010 147 T CB 1.563 70.203 68.868 -0.379 0.000 1.325 147 T HN 0.859 nan 8.240 nan 0.000 0.515 148 W N -1.661 119.630 121.300 -0.016 0.000 2.989 148 W HA 0.755 5.442 4.660 0.045 0.000 0.344 148 W C -0.190 176.313 176.519 -0.027 0.000 1.233 148 W CA -1.170 56.171 57.345 -0.006 0.000 1.187 148 W CB 0.286 29.750 29.460 0.007 0.000 1.443 148 W HN 0.968 nan 8.180 nan 0.000 0.573 149 G N 0.564 109.522 108.800 0.264 0.000 2.535 149 G HA2 0.458 4.449 3.960 0.052 0.000 0.282 149 G HA3 0.458 4.449 3.960 0.052 0.000 0.282 149 G C -0.947 174.028 174.900 0.126 0.000 1.350 149 G CA -1.000 44.163 45.100 0.104 0.000 1.039 149 G HN 0.853 nan 8.290 nan 0.000 0.509 150 L N -0.070 121.157 121.223 0.007 0.000 2.506 150 L HA 0.433 4.804 4.340 0.052 0.000 0.281 150 L C 1.387 178.213 176.870 -0.072 0.000 1.228 150 L CA 2.170 56.975 54.840 -0.058 0.000 0.850 150 L CB 0.929 42.836 42.059 -0.253 0.000 1.110 150 L HN 1.186 nan 8.230 nan 0.000 0.496 151 G N 1.167 109.846 108.800 -0.200 0.000 2.901 151 G HA2 0.319 4.310 3.960 0.052 0.000 0.194 151 G HA3 0.319 4.310 3.960 0.052 0.000 0.194 151 G C 0.787 175.550 174.900 -0.228 0.000 1.020 151 G CA 0.173 45.043 45.100 -0.383 0.000 0.787 151 G HN 1.861 nan 8.290 nan 0.000 0.477 152 G N -0.857 107.914 108.800 -0.048 0.000 2.615 152 G HA2 0.061 4.053 3.960 0.052 0.000 0.218 152 G HA3 0.061 4.053 3.960 0.052 0.000 0.218 152 G C 0.835 175.730 174.900 -0.009 0.000 1.339 152 G CA 0.780 45.891 45.100 0.018 0.000 0.884 152 G HN 1.139 nan 8.290 nan 0.000 0.559 153 T N -0.421 114.132 114.554 -0.002 0.000 2.674 153 T HA -0.184 4.197 4.350 0.052 0.000 0.265 153 T C 2.487 177.112 174.700 -0.125 0.000 1.039 153 T CA 2.784 64.851 62.100 -0.055 0.000 1.150 153 T CB -0.715 68.162 68.868 0.015 0.000 0.864 153 T HN 1.165 nan 8.240 nan 0.000 0.427 154 c N 1.429 119.983 118.600 -0.076 0.000 2.413 154 c HA -0.070 4.531 4.570 0.052 0.000 0.277 154 c C 2.770 176.782 174.090 -0.130 0.000 1.228 154 c CA 0.735 57.016 56.329 -0.079 0.000 1.731 154 c CB -1.284 41.208 42.510 -0.030 0.000 2.042 154 c HN 0.384 nan 8.230 nan 0.000 0.468 155 V N 1.951 121.798 119.914 -0.112 0.000 2.287 155 V HA -0.215 3.936 4.120 0.052 0.000 0.248 155 V C 2.338 178.329 176.094 -0.171 0.000 1.053 155 V CA 2.576 64.820 62.300 -0.092 0.000 1.027 155 V CB -0.716 31.084 31.823 -0.038 0.000 0.646 155 V HN 0.619 nan 8.190 nan 0.000 0.447 156 N N -0.194 118.340 118.700 -0.276 0.000 2.439 156 N HA 0.024 4.796 4.740 0.052 0.000 0.176 156 N C 1.029 176.223 175.510 -0.527 0.000 1.029 156 N CA 1.586 54.383 53.050 -0.422 0.000 0.886 156 N CB 1.135 39.189 38.487 -0.721 0.000 1.057 156 N HN 0.550 nan 8.380 nan 0.000 0.437 157 V N -3.212 116.380 119.914 -0.537 0.000 3.047 157 V HA 0.632 4.783 4.120 0.052 0.000 0.374 157 V C 0.370 176.333 176.094 -0.217 0.000 1.399 157 V CA -0.375 61.726 62.300 -0.332 0.000 1.251 157 V CB 0.538 32.071 31.823 -0.483 0.000 1.228 157 V HN 0.107 nan 8.190 nan 0.000 0.589 158 G N -0.044 108.545 108.800 -0.351 0.000 3.310 158 G HA2 0.263 4.254 3.960 0.052 0.000 0.174 158 G HA3 0.263 4.254 3.960 0.052 0.000 0.174 158 G C 0.935 175.681 174.900 -0.256 0.000 1.097 158 G CA 0.582 45.566 45.100 -0.193 0.000 0.795 158 G HN 0.287 nan 8.290 nan 0.000 0.670 159 c N 0.841 119.376 118.600 -0.108 0.000 2.391 159 c HA -0.058 4.543 4.570 0.052 0.000 0.276 159 c C 2.729 176.704 174.090 -0.191 0.000 1.217 159 c CA 0.365 56.643 56.329 -0.084 0.000 1.766 159 c CB -1.309 41.190 42.510 -0.017 0.000 2.046 159 c HN 0.400 nan 8.230 nan 0.000 0.475 160 I N 2.481 122.929 120.570 -0.204 0.000 2.094 160 I HA -0.074 4.127 4.170 0.052 0.000 0.234 160 I C 0.218 176.157 176.117 -0.295 0.000 1.063 160 I CA 1.482 62.672 61.300 -0.184 0.000 1.328 160 I CB -2.779 35.171 38.000 -0.083 0.000 1.058 160 I HN 0.185 nan 8.210 nan 0.000 0.400 161 P HA -0.203 nan 4.420 nan 0.000 0.215 161 P C 1.662 178.586 177.300 -0.627 0.000 1.153 161 P CA 1.570 64.315 63.100 -0.592 0.000 0.853 161 P CB -0.152 30.989 31.700 -0.931 0.000 0.788 162 K N 1.029 120.997 120.400 -0.720 0.000 2.034 162 K HA -0.203 4.148 4.320 0.052 0.000 0.214 162 K C 2.128 178.626 176.600 -0.170 0.000 1.051 162 K CA 1.870 58.012 56.287 -0.243 0.000 0.931 162 K CB -0.556 31.914 32.500 -0.050 0.000 0.715 162 K HN 0.055 nan 8.250 nan 0.000 0.446 163 K N 0.315 120.573 120.400 -0.237 0.000 2.116 163 K HA -0.002 4.350 4.320 0.052 0.000 0.203 163 K C 2.392 178.865 176.600 -0.212 0.000 1.052 163 K CA 0.540 56.680 56.287 -0.245 0.000 0.952 163 K CB 0.015 32.260 32.500 -0.426 0.000 0.729 163 K HN 0.106 nan 8.250 nan 0.000 0.446 164 L N 0.536 121.605 121.223 -0.257 0.000 2.046 164 L HA -0.192 4.179 4.340 0.052 0.000 0.208 164 L C 2.542 179.245 176.870 -0.279 0.000 1.077 164 L CA 1.262 55.950 54.840 -0.254 0.000 0.747 164 L CB -0.268 41.639 42.059 -0.253 0.000 0.896 164 L HN 0.245 nan 8.230 nan 0.000 0.432 165 M N -1.487 117.878 119.600 -0.391 0.000 2.200 165 M HA -0.199 4.312 4.480 0.052 0.000 0.265 165 M C 2.388 178.434 176.300 -0.425 0.000 1.066 165 M CA 1.358 56.290 55.300 -0.613 0.000 1.127 165 M CB -0.633 31.221 32.600 -1.242 0.000 1.379 165 M HN 0.277 nan 8.290 nan 0.000 0.420 166 H N 0.613 119.489 119.070 -0.324 0.000 2.352 166 H HA -0.222 4.365 4.556 0.052 0.000 0.299 166 H C 1.975 177.285 175.328 -0.030 0.000 1.097 166 H CA 2.295 58.329 56.048 -0.024 0.000 1.311 166 H CB -0.150 29.630 29.762 0.029 0.000 1.377 166 H HN 0.283 nan 8.280 nan 0.000 0.504 167 Q N 0.355 120.024 119.800 -0.219 0.000 2.079 167 Q HA -0.005 4.367 4.340 0.052 0.000 0.200 167 Q C 2.459 178.349 176.000 -0.184 0.000 0.974 167 Q CA 1.916 57.569 55.803 -0.250 0.000 0.840 167 Q CB -0.802 27.814 28.738 -0.203 0.000 0.898 167 Q HN 0.523 nan 8.270 nan 0.000 0.430 168 A N -0.040 122.683 122.820 -0.162 0.000 1.883 168 A HA -0.114 4.237 4.320 0.052 0.000 0.217 168 A C 2.321 179.833 177.584 -0.120 0.000 1.186 168 A CA 1.860 53.823 52.037 -0.123 0.000 0.624 168 A CB -1.545 17.382 19.000 -0.121 0.000 0.822 168 A HN 0.568 nan 8.150 nan 0.000 0.444 169 G N -0.428 108.328 108.800 -0.074 0.000 2.418 169 G HA2 -0.164 3.827 3.960 0.052 0.000 0.217 169 G HA3 -0.164 3.827 3.960 0.052 0.000 0.217 169 G C 1.546 176.433 174.900 -0.022 0.000 1.158 169 G CA 1.034 46.139 45.100 0.009 0.000 0.771 169 G HN 0.442 nan 8.290 nan 0.000 0.545 170 L N -0.192 120.993 121.223 -0.063 0.000 2.141 170 L HA 0.084 4.455 4.340 0.052 0.000 0.209 170 L C 2.722 179.582 176.870 -0.016 0.000 1.094 170 L CA 0.347 55.188 54.840 0.001 0.000 0.763 170 L CB -0.220 41.759 42.059 -0.135 0.000 0.908 170 L HN 0.182 nan 8.230 nan 0.000 0.437 171 L N -1.306 119.864 121.223 -0.087 0.000 2.376 171 L HA -0.137 4.234 4.340 0.052 0.000 0.219 171 L C 2.688 179.488 176.870 -0.117 0.000 1.133 171 L CA 0.488 55.276 54.840 -0.087 0.000 0.816 171 L CB -0.344 41.661 42.059 -0.090 0.000 0.933 171 L HN 0.197 nan 8.230 nan 0.000 0.449 172 S N -0.803 114.767 115.700 -0.217 0.000 2.399 172 S HA -0.182 4.319 4.470 0.052 0.000 0.231 172 S C 1.865 176.243 174.600 -0.369 0.000 1.022 172 S CA 1.147 59.142 58.200 -0.341 0.000 0.983 172 S CB -0.180 62.696 63.200 -0.540 0.000 0.803 172 S HN 0.518 nan 8.310 nan 0.000 0.480 173 H N -0.221 118.861 119.070 0.019 0.000 2.595 173 H HA 0.406 4.993 4.556 0.052 0.000 0.265 173 H C 2.293 177.639 175.328 0.031 0.000 0.953 173 H CA 0.721 56.784 56.048 0.025 0.000 1.197 173 H CB -0.474 29.294 29.762 0.009 0.000 1.438 173 H HN 0.486 nan 8.280 nan 0.000 0.531 174 A N 1.817 124.684 122.820 0.079 0.000 1.898 174 A HA -0.073 4.278 4.320 0.052 0.000 0.216 174 A C 2.499 180.099 177.584 0.028 0.000 1.181 174 A CA 0.774 52.834 52.037 0.038 0.000 0.620 174 A CB -0.769 18.217 19.000 -0.023 0.000 0.819 174 A HN 0.224 nan 8.150 nan 0.000 0.442 175 L N -0.674 120.547 121.223 -0.002 0.000 2.042 175 L HA -0.232 4.139 4.340 0.052 0.000 0.210 175 L C 2.613 179.522 176.870 0.066 0.000 1.076 175 L CA 1.796 56.638 54.840 0.003 0.000 0.749 175 L CB -0.816 41.230 42.059 -0.022 0.000 0.893 175 L HN 0.486 nan 8.230 nan 0.000 0.432 176 E N 0.177 120.435 120.200 0.097 0.000 2.085 176 E HA -0.231 4.151 4.350 0.052 0.000 0.194 176 E C 1.712 178.465 176.600 0.255 0.000 0.994 176 E CA 1.523 58.016 56.400 0.156 0.000 0.801 176 E CB -0.045 29.770 29.700 0.191 0.000 0.743 176 E HN 0.491 nan 8.360 nan 0.000 0.453 177 D N 0.140 120.713 120.400 0.287 0.000 2.183 177 D HA -0.048 4.623 4.640 0.052 0.000 0.203 177 D C 1.782 178.401 176.300 0.532 0.000 0.969 177 D CA 0.952 55.223 54.000 0.452 0.000 0.842 177 D CB -0.231 40.785 40.800 0.359 0.000 0.957 177 D HN 0.139 nan 8.370 nan 0.000 0.484 178 A N 1.234 124.252 122.820 0.329 0.000 1.873 178 A HA -0.301 4.050 4.320 0.052 0.000 0.218 178 A C 2.019 179.864 177.584 0.435 0.000 1.193 178 A CA 1.907 54.159 52.037 0.359 0.000 0.629 178 A CB -0.722 18.345 19.000 0.112 0.000 0.826 178 A HN 0.234 nan 8.150 nan 0.000 0.447 179 E N -0.950 119.392 120.200 0.237 0.000 2.068 179 E HA -0.271 4.110 4.350 0.052 0.000 0.207 179 E C 1.946 178.588 176.600 0.070 0.000 1.032 179 E CA 1.654 58.112 56.400 0.098 0.000 0.839 179 E CB -0.504 29.144 29.700 -0.086 0.000 0.758 179 E HN 0.774 nan 8.360 nan 0.000 0.457 180 H N -0.999 118.175 119.070 0.172 0.000 2.457 180 H HA -0.126 4.461 4.556 0.052 0.000 0.297 180 H C 1.608 176.892 175.328 -0.073 0.000 1.092 180 H CA 0.987 57.054 56.048 0.032 0.000 1.309 180 H CB -0.212 29.527 29.762 -0.039 0.000 1.382 180 H HN 0.198 nan 8.280 nan 0.000 0.535 181 F N -0.211 119.882 119.950 0.239 0.000 2.773 181 F HA 0.215 4.773 4.527 0.052 0.000 0.304 181 F C 1.780 177.612 175.800 0.054 0.000 1.129 181 F CA 0.586 58.696 58.000 0.184 0.000 1.378 181 F CB 0.680 39.845 39.000 0.275 0.000 1.095 181 F HN 0.283 nan 8.300 nan 0.000 0.565 182 G N -1.293 107.588 108.800 0.136 0.000 2.278 182 G HA2 -0.266 3.725 3.960 0.052 0.000 0.210 182 G HA3 -0.266 3.725 3.960 0.052 0.000 0.210 182 G C -0.075 174.760 174.900 -0.108 0.000 1.000 182 G CA -0.746 44.316 45.100 -0.062 0.000 0.635 182 G HN 0.205 nan 8.290 nan 0.000 0.495 183 W N 2.837 124.189 121.300 0.087 0.000 2.381 183 W HA 0.465 5.157 4.660 0.053 0.000 0.321 183 W C 1.203 177.739 176.519 0.030 0.000 1.407 183 W CA 0.418 57.796 57.345 0.056 0.000 1.274 183 W CB 0.718 30.215 29.460 0.061 0.000 1.310 183 W HN 0.443 nan 8.180 nan 0.000 0.551 184 S N 5.733 121.561 115.700 0.214 0.000 3.036 184 S HA 0.556 5.057 4.470 0.052 0.000 0.301 184 S C -0.711 173.969 174.600 0.134 0.000 1.205 184 S CA -0.822 57.452 58.200 0.123 0.000 0.999 184 S CB -0.597 62.643 63.200 0.066 0.000 1.337 184 S HN 0.490 nan 8.310 nan 0.000 0.515 185 L N -0.637 120.657 121.223 0.118 0.000 2.445 185 L HA 0.764 5.135 4.340 0.052 0.000 0.262 185 L C -1.416 175.485 176.870 0.050 0.000 0.974 185 L CA -0.925 53.963 54.840 0.081 0.000 0.822 185 L CB 1.878 43.986 42.059 0.081 0.000 1.339 185 L HN 0.181 nan 8.230 nan 0.000 0.409 186 D N 1.504 121.924 120.400 0.033 0.000 2.396 186 D HA 0.247 4.918 4.640 0.052 0.000 0.225 186 D C 0.868 177.179 176.300 0.019 0.000 1.121 186 D CA -0.297 53.715 54.000 0.021 0.000 0.853 186 D CB 1.653 42.463 40.800 0.016 0.000 1.043 186 D HN 0.673 nan 8.370 nan 0.000 0.500 187 R N 2.237 122.749 120.500 0.020 0.000 2.148 187 R HA -0.117 4.254 4.340 0.052 0.000 0.227 187 R C 1.794 178.105 176.300 0.018 0.000 1.103 187 R CA 1.878 57.991 56.100 0.021 0.000 0.983 187 R CB -0.383 29.936 30.300 0.032 0.000 0.874 187 R HN 0.414 nan 8.270 nan 0.000 0.451 188 S N -0.325 115.385 115.700 0.017 0.000 2.383 188 S HA -0.085 4.416 4.470 0.052 0.000 0.227 188 S C 1.871 176.477 174.600 0.011 0.000 1.026 188 S CA 0.854 59.063 58.200 0.015 0.000 0.981 188 S CB -0.237 62.970 63.200 0.012 0.000 0.818 188 S HN 0.212 nan 8.310 nan 0.000 0.472 189 K N 0.856 121.261 120.400 0.009 0.000 2.418 189 K HA 0.276 4.628 4.320 0.052 0.000 0.195 189 K C 0.265 176.867 176.600 0.004 0.000 1.035 189 K CA -0.034 56.257 56.287 0.007 0.000 1.003 189 K CB -0.147 32.358 32.500 0.007 0.000 0.793 189 K HN 0.491 nan 8.250 nan 0.000 0.494 190 I N 1.970 122.543 120.570 0.006 0.000 2.428 190 I HA -0.023 4.178 4.170 0.052 0.000 0.289 190 I C 0.576 176.696 176.117 0.005 0.000 1.019 190 I CA -0.288 61.014 61.300 0.003 0.000 1.351 190 I CB 1.456 39.457 38.000 0.002 0.000 1.412 190 I HN 0.011 nan 8.210 nan 0.000 0.513 191 S N 4.382 120.084 115.700 0.004 0.000 2.709 191 S HA 0.530 5.031 4.470 0.052 0.000 0.302 191 S C -0.983 173.637 174.600 0.033 0.000 1.127 191 S CA -0.765 57.442 58.200 0.011 0.000 0.905 191 S CB 1.906 65.101 63.200 -0.008 0.000 1.151 191 S HN 0.660 nan 8.310 nan 0.000 0.510 192 H N 0.838 119.869 119.070 -0.065 0.000 2.469 192 H HA 0.553 5.140 4.556 0.052 0.000 0.342 192 H C -0.828 174.476 175.328 -0.040 0.000 1.115 192 H CA -0.473 55.543 56.048 -0.054 0.000 1.204 192 H CB 1.200 30.932 29.762 -0.050 0.000 1.492 192 H HN 0.607 nan 8.280 nan 0.000 0.499 193 N N 5.883 124.203 118.700 -0.633 0.000 2.678 193 N HA -0.047 4.724 4.740 0.052 0.000 0.231 193 N C 0.872 176.157 175.510 -0.375 0.000 1.038 193 N CA -0.438 52.401 53.050 -0.353 0.000 0.932 193 N CB -0.049 38.316 38.487 -0.204 0.000 1.176 193 N HN 0.793 nan 8.380 nan 0.000 0.511 194 W N 3.453 124.665 121.300 -0.148 0.000 2.290 194 W HA -0.312 4.377 4.660 0.049 0.000 0.323 194 W C 1.559 178.125 176.519 0.080 0.000 1.260 194 W CA 2.070 59.516 57.345 0.168 0.000 1.266 194 W CB -0.681 29.004 29.460 0.376 0.000 1.149 194 W HN 0.505 nan 8.180 nan 0.000 0.482 195 S N 0.016 115.875 115.700 0.266 0.000 2.359 195 S HA -0.230 4.271 4.470 0.052 0.000 0.223 195 S C 1.829 176.413 174.600 -0.027 0.000 1.039 195 S CA 2.883 61.172 58.200 0.149 0.000 1.042 195 S CB -0.833 62.474 63.200 0.178 0.000 0.915 195 S HN 0.371 nan 8.310 nan 0.000 0.439 196 T N 2.391 116.902 114.554 -0.072 0.000 2.635 196 T HA -0.174 4.207 4.350 0.052 0.000 0.267 196 T C 1.787 176.399 174.700 -0.146 0.000 1.040 196 T CA 1.825 63.861 62.100 -0.106 0.000 1.156 196 T CB -0.437 68.351 68.868 -0.133 0.000 0.863 196 T HN 0.498 nan 8.240 nan 0.000 0.430 197 M N 0.985 120.457 119.600 -0.213 0.000 2.065 197 M HA -0.148 4.363 4.480 0.052 0.000 0.259 197 M C 2.245 178.385 176.300 -0.266 0.000 1.069 197 M CA 1.740 56.907 55.300 -0.221 0.000 1.110 197 M CB -0.417 32.074 32.600 -0.182 0.000 1.328 197 M HN 0.121 nan 8.290 nan 0.000 0.405 198 V N 1.055 120.742 119.914 -0.378 0.000 2.324 198 V HA -0.284 3.867 4.120 0.052 0.000 0.250 198 V C 2.351 178.376 176.094 -0.116 0.000 1.060 198 V CA 2.055 64.187 62.300 -0.279 0.000 1.042 198 V CB -1.127 30.546 31.823 -0.251 0.000 0.650 198 V HN 0.505 nan 8.190 nan 0.000 0.450 199 E N 0.701 120.854 120.200 -0.079 0.000 2.070 199 E HA -0.235 4.146 4.350 0.052 0.000 0.197 199 E C 2.376 178.952 176.600 -0.040 0.000 1.004 199 E CA 1.801 58.180 56.400 -0.034 0.000 0.805 199 E CB -0.792 28.892 29.700 -0.026 0.000 0.744 199 E HN 0.645 nan 8.360 nan 0.000 0.451 200 G N 1.033 109.791 108.800 -0.070 0.000 2.446 200 G HA2 -0.234 3.757 3.960 0.052 0.000 0.217 200 G HA3 -0.234 3.757 3.960 0.052 0.000 0.217 200 G C 1.868 176.738 174.900 -0.050 0.000 1.168 200 G CA 1.149 46.209 45.100 -0.066 0.000 0.771 200 G HN 0.188 nan 8.290 nan 0.000 0.551 201 V N 0.253 120.119 119.914 -0.080 0.000 2.307 201 V HA -0.153 3.998 4.120 0.052 0.000 0.245 201 V C 2.988 179.082 176.094 0.000 0.000 1.045 201 V CA 1.785 64.046 62.300 -0.065 0.000 1.024 201 V CB -0.398 31.349 31.823 -0.128 0.000 0.651 201 V HN 0.252 nan 8.190 nan 0.000 0.449 202 Q N -0.205 119.593 119.800 -0.002 0.000 2.124 202 Q HA -0.173 4.198 4.340 0.052 0.000 0.202 202 Q C 2.588 178.619 176.000 0.051 0.000 0.977 202 Q CA 2.001 57.824 55.803 0.033 0.000 0.850 202 Q CB -0.811 27.953 28.738 0.044 0.000 0.901 202 Q HN 0.633 nan 8.270 nan 0.000 0.429 203 S N -0.318 115.408 115.700 0.044 0.000 2.399 203 S HA -0.182 4.319 4.470 0.052 0.000 0.231 203 S C 1.860 176.502 174.600 0.069 0.000 1.022 203 S CA 1.185 59.414 58.200 0.049 0.000 0.983 203 S CB -0.179 63.037 63.200 0.027 0.000 0.803 203 S HN 0.548 nan 8.310 nan 0.000 0.480 204 H N 0.473 119.529 119.070 -0.023 0.000 2.343 204 H HA 0.057 4.645 4.556 0.052 0.000 0.303 204 H C 2.140 177.465 175.328 -0.004 0.000 1.068 204 H CA 1.591 57.621 56.048 -0.029 0.000 1.359 204 H CB -0.282 29.444 29.762 -0.061 0.000 1.402 204 H HN 0.444 nan 8.280 nan 0.000 0.515 205 I N 0.824 121.360 120.570 -0.058 0.000 2.151 205 I HA -0.256 3.945 4.170 0.052 0.000 0.243 205 I C 2.970 179.081 176.117 -0.009 0.000 1.080 205 I CA 1.354 62.610 61.300 -0.074 0.000 1.339 205 I CB -0.735 37.253 38.000 -0.019 0.000 1.039 205 I HN 0.346 nan 8.210 nan 0.000 0.409 206 G N 0.547 109.382 108.800 0.058 0.000 2.513 206 G HA2 -0.370 3.621 3.960 0.052 0.000 0.219 206 G HA3 -0.370 3.621 3.960 0.052 0.000 0.219 206 G C 1.769 176.810 174.900 0.236 0.000 1.160 206 G CA 1.456 46.650 45.100 0.158 0.000 0.767 206 G HN 0.528 nan 8.290 nan 0.000 0.571 207 S N 0.006 115.760 115.700 0.090 0.000 2.453 207 S HA 0.140 4.641 4.470 0.052 0.000 0.231 207 S C 2.329 176.936 174.600 0.011 0.000 1.005 207 S CA 0.830 59.067 58.200 0.062 0.000 0.949 207 S CB -0.189 62.986 63.200 -0.041 0.000 0.774 207 S HN 0.300 nan 8.310 nan 0.000 0.510 208 L N 1.506 122.672 121.223 -0.095 0.000 2.109 208 L HA -0.043 4.328 4.340 0.052 0.000 0.207 208 L C 2.479 179.392 176.870 0.072 0.000 1.086 208 L CA 0.957 55.728 54.840 -0.115 0.000 0.760 208 L CB -0.666 41.310 42.059 -0.138 0.000 0.910 208 L HN 0.309 nan 8.230 nan 0.000 0.437 209 N N -0.355 118.414 118.700 0.115 0.000 2.061 209 N HA -0.236 4.535 4.740 0.052 0.000 0.193 209 N C 1.564 177.059 175.510 -0.025 0.000 1.030 209 N CA 1.677 54.765 53.050 0.063 0.000 0.856 209 N CB -0.472 38.002 38.487 -0.022 0.000 1.023 209 N HN 0.384 nan 8.380 nan 0.000 0.424 210 W N 1.297 122.587 121.300 -0.017 0.000 2.379 210 W HA 0.054 4.748 4.660 0.057 0.000 0.307 210 W C 2.712 179.181 176.519 -0.084 0.000 1.200 210 W CA 1.245 58.567 57.345 -0.039 0.000 1.297 210 W CB -1.047 28.389 29.460 -0.040 0.000 1.140 210 W HN 0.102 nan 8.180 nan 0.000 0.507 211 G N -0.078 108.765 108.800 0.072 0.000 2.529 211 G HA2 -0.363 3.629 3.960 0.052 0.000 0.219 211 G HA3 -0.363 3.629 3.960 0.052 0.000 0.219 211 G C 1.158 175.948 174.900 -0.183 0.000 1.177 211 G CA 1.630 46.652 45.100 -0.130 0.000 0.773 211 G HN 0.233 nan 8.290 nan 0.000 0.573 212 Y N 0.709 120.968 120.300 -0.067 0.000 2.089 212 Y HA -0.069 4.516 4.550 0.058 0.000 0.282 212 Y C 2.806 178.592 175.900 -0.189 0.000 1.139 212 Y CA 1.581 59.603 58.100 -0.130 0.000 1.123 212 Y CB -0.611 37.750 38.460 -0.164 0.000 0.980 212 Y HN 0.131 nan 8.280 nan 0.000 0.493 213 K N 0.136 120.477 120.400 -0.099 0.000 2.052 213 K HA -0.240 4.111 4.320 0.052 0.000 0.215 213 K C 1.992 178.552 176.600 -0.068 0.000 1.053 213 K CA 2.334 58.481 56.287 -0.233 0.000 0.934 213 K CB -0.557 31.785 32.500 -0.263 0.000 0.717 213 K HN 0.152 nan 8.250 nan 0.000 0.450 214 V N 0.884 120.808 119.914 0.016 0.000 2.358 214 V HA -0.240 3.911 4.120 0.052 0.000 0.246 214 V C 2.397 178.498 176.094 0.012 0.000 1.047 214 V CA 1.879 64.206 62.300 0.046 0.000 1.035 214 V CB -0.693 31.179 31.823 0.081 0.000 0.658 214 V HN 0.526 nan 8.190 nan 0.000 0.452 215 A N 0.008 122.821 122.820 -0.011 0.000 1.917 215 A HA -0.224 4.128 4.320 0.052 0.000 0.219 215 A C 2.202 179.786 177.584 -0.000 0.000 1.182 215 A CA 2.121 54.150 52.037 -0.014 0.000 0.633 215 A CB -0.578 18.410 19.000 -0.020 0.000 0.819 215 A HN 0.531 nan 8.150 nan 0.000 0.448 216 L N -1.518 119.705 121.223 -0.000 0.000 2.056 216 L HA -0.158 4.214 4.340 0.052 0.000 0.207 216 L C 2.756 179.642 176.870 0.027 0.000 1.078 216 L CA 1.680 56.525 54.840 0.008 0.000 0.749 216 L CB -0.543 41.516 42.059 -0.001 0.000 0.901 216 L HN 0.425 nan 8.230 nan 0.000 0.433 217 R N 0.518 121.040 120.500 0.037 0.000 2.096 217 R HA -0.202 4.170 4.340 0.052 0.000 0.240 217 R C 1.281 177.597 176.300 0.027 0.000 1.139 217 R CA 2.002 58.130 56.100 0.046 0.000 0.952 217 R CB -0.183 30.151 30.300 0.056 0.000 0.854 217 R HN 0.295 nan 8.270 nan 0.000 0.436 218 D N -0.221 120.188 120.400 0.015 0.000 2.358 218 D HA -0.042 4.629 4.640 0.052 0.000 0.241 218 D C -0.136 176.158 176.300 -0.010 0.000 1.094 218 D CA 0.742 54.743 54.000 0.002 0.000 0.907 218 D CB -0.021 40.776 40.800 -0.005 0.000 0.893 218 D HN 0.283 nan 8.370 nan 0.000 0.528 219 N N -0.321 118.375 118.700 -0.008 0.000 2.305 219 N HA 0.039 4.810 4.740 0.052 0.000 0.248 219 N C -0.648 174.852 175.510 -0.017 0.000 1.290 219 N CA -0.187 52.848 53.050 -0.025 0.000 0.873 219 N CB 0.639 39.106 38.487 -0.033 0.000 1.261 219 N HN -0.257 nan 8.380 nan 0.000 0.504 220 Q N -0.245 119.556 119.800 0.003 0.000 2.416 220 Q HA -0.147 4.225 4.340 0.052 0.000 0.319 220 Q C -1.169 174.846 176.000 0.025 0.000 1.318 220 Q CA 0.589 56.403 55.803 0.019 0.000 0.915 220 Q CB -1.314 27.432 28.738 0.013 0.000 1.184 220 Q HN 0.143 nan 8.270 nan 0.000 0.444 221 V N 0.782 120.712 119.914 0.027 0.000 2.384 221 V HA 0.315 4.466 4.120 0.052 0.000 0.287 221 V C 0.468 176.597 176.094 0.059 0.000 1.020 221 V CA -0.449 61.867 62.300 0.027 0.000 0.850 221 V CB 2.091 33.919 31.823 0.008 0.000 0.987 221 V HN 0.287 nan 8.190 nan 0.000 0.436 222 T N 5.470 120.057 114.554 0.054 0.000 2.738 222 T HA 0.226 4.608 4.350 0.052 0.000 0.294 222 T C -0.504 174.219 174.700 0.038 0.000 0.914 222 T CA 0.069 62.206 62.100 0.063 0.000 1.052 222 T CB -0.326 68.615 68.868 0.121 0.000 0.897 222 T HN 0.516 nan 8.240 nan 0.000 0.522 223 Y N 4.855 125.133 120.300 -0.036 0.000 2.327 223 Y HA 0.559 5.138 4.550 0.048 0.000 0.336 223 Y C -1.079 174.796 175.900 -0.041 0.000 1.035 223 Y CA -1.675 56.398 58.100 -0.046 0.000 1.165 223 Y CB 0.390 38.830 38.460 -0.032 0.000 1.181 223 Y HN 0.527 nan 8.280 nan 0.000 0.494 224 L N 6.378 127.248 121.223 -0.588 0.000 2.356 224 L HA 0.322 4.693 4.340 0.052 0.000 0.277 224 L C -0.162 176.284 176.870 -0.706 0.000 0.996 224 L CA -0.860 53.620 54.840 -0.602 0.000 0.822 224 L CB 1.487 43.384 42.059 -0.270 0.000 1.256 224 L HN 0.600 nan 8.230 nan 0.000 0.413 225 N N 3.280 121.565 118.700 -0.690 0.000 2.971 225 N HA 0.363 5.134 4.740 0.052 0.000 0.294 225 N C -0.909 174.519 175.510 -0.138 0.000 1.210 225 N CA 0.059 52.924 53.050 -0.308 0.000 1.157 225 N CB 0.282 38.657 38.487 -0.186 0.000 1.450 225 N HN 0.692 nan 8.380 nan 0.000 0.527 226 A N 1.952 124.709 122.820 -0.106 0.000 2.449 226 A HA 0.375 4.726 4.320 0.052 0.000 0.302 226 A C -0.299 177.248 177.584 -0.061 0.000 1.048 226 A CA -0.936 51.044 52.037 -0.095 0.000 0.708 226 A CB 1.165 20.098 19.000 -0.113 0.000 1.274 226 A HN 0.435 nan 8.150 nan 0.000 0.410 227 K N 1.987 122.276 120.400 -0.185 0.000 2.349 227 K HA 0.383 4.734 4.320 0.052 0.000 0.289 227 K C 0.346 176.880 176.600 -0.110 0.000 1.064 227 K CA 0.201 56.368 56.287 -0.200 0.000 0.947 227 K CB 0.335 32.488 32.500 -0.577 0.000 1.007 227 K HN 0.813 nan 8.250 nan 0.000 0.478 228 G N 3.972 112.750 108.800 -0.036 0.000 2.348 228 G HA2 0.319 4.310 3.960 0.052 0.000 0.312 228 G HA3 0.319 4.310 3.960 0.052 0.000 0.312 228 G C -1.047 173.842 174.900 -0.017 0.000 1.126 228 G CA -0.645 44.439 45.100 -0.026 0.000 0.865 228 G HN 0.671 nan 8.290 nan 0.000 0.474 229 R N 1.885 122.373 120.500 -0.019 0.000 2.561 229 R HA 0.474 4.845 4.340 0.052 0.000 0.297 229 R C -1.222 175.077 176.300 -0.002 0.000 0.969 229 R CA -0.872 55.221 56.100 -0.011 0.000 0.879 229 R CB 1.526 31.814 30.300 -0.020 0.000 1.178 229 R HN 0.410 nan 8.270 nan 0.000 0.445 230 L N 7.279 128.503 121.223 0.001 0.000 2.268 230 L HA 0.296 4.667 4.340 0.052 0.000 0.289 230 L C 0.564 177.437 176.870 0.006 0.000 1.064 230 L CA 0.207 55.049 54.840 0.003 0.000 0.824 230 L CB 0.924 42.982 42.059 -0.002 0.000 1.202 230 L HN 0.839 nan 8.230 nan 0.000 0.433 231 I N 0.978 121.556 120.570 0.013 0.000 2.867 231 I HA 0.295 4.496 4.170 0.052 0.000 0.265 231 I C 0.550 176.681 176.117 0.023 0.000 1.162 231 I CA 0.307 61.617 61.300 0.016 0.000 1.471 231 I CB -0.055 37.956 38.000 0.019 0.000 1.123 231 I HN 0.596 nan 8.210 nan 0.000 0.440 232 S N -0.617 115.101 115.700 0.031 0.000 2.565 232 S HA 0.489 4.990 4.470 0.052 0.000 0.269 232 S C -2.505 172.116 174.600 0.034 0.000 1.153 232 S CA -0.999 57.226 58.200 0.042 0.000 0.835 232 S CB 1.419 64.659 63.200 0.067 0.000 1.122 232 S HN -0.213 nan 8.310 nan 0.000 0.462 233 P HA -0.052 nan 4.420 nan 0.000 0.223 233 P C 0.226 177.386 177.300 -0.233 0.000 1.140 233 P CA 1.574 64.630 63.100 -0.074 0.000 0.783 233 P CB -0.163 31.523 31.700 -0.024 0.000 0.759 234 H N -3.394 115.688 119.070 0.020 0.000 3.398 234 H HA 0.243 4.832 4.556 0.054 0.000 0.260 234 H C 0.023 175.370 175.328 0.031 0.000 1.189 234 H CA -0.222 55.822 56.048 -0.007 0.000 1.145 234 H CB 0.661 30.448 29.762 0.043 0.000 1.599 234 H HN 0.105 nan 8.280 nan 0.000 0.615 235 E N 1.192 121.471 120.200 0.133 0.000 2.187 235 E HA 0.473 4.855 4.350 0.052 0.000 0.268 235 E C -1.030 175.607 176.600 0.062 0.000 0.896 235 E CA -0.783 55.682 56.400 0.109 0.000 0.766 235 E CB 3.172 32.934 29.700 0.103 0.000 1.142 235 E HN -0.089 nan 8.360 nan 0.000 0.408 236 V N 2.801 122.750 119.914 0.059 0.000 2.448 236 V HA 0.215 4.366 4.120 0.052 0.000 0.295 236 V C -0.273 175.838 176.094 0.027 0.000 1.025 236 V CA -0.858 61.461 62.300 0.032 0.000 0.859 236 V CB 1.574 33.410 31.823 0.022 0.000 0.988 236 V HN 0.665 nan 8.190 nan 0.000 0.431 237 Q N 4.851 124.657 119.800 0.010 0.000 2.360 237 Q HA 0.567 4.938 4.340 0.052 0.000 0.254 237 Q C -0.662 175.325 176.000 -0.023 0.000 0.975 237 Q CA -0.510 55.292 55.803 -0.002 0.000 0.912 237 Q CB 1.194 29.929 28.738 -0.006 0.000 1.212 237 Q HN 0.874 nan 8.270 nan 0.000 0.452 238 I N 0.894 121.448 120.570 -0.026 0.000 2.437 238 I HA 0.569 4.770 4.170 0.052 0.000 0.298 238 I C -0.759 175.316 176.117 -0.071 0.000 0.984 238 I CA -0.487 60.782 61.300 -0.052 0.000 1.214 238 I CB 2.101 40.073 38.000 -0.047 0.000 1.365 238 I HN 0.273 nan 8.210 nan 0.000 0.469 239 T N 4.611 119.097 114.554 -0.113 0.000 2.807 239 T HA 0.361 4.742 4.350 0.052 0.000 0.279 239 T C -0.470 174.140 174.700 -0.149 0.000 0.993 239 T CA -0.562 61.459 62.100 -0.133 0.000 0.970 239 T CB 1.290 70.051 68.868 -0.179 0.000 0.950 239 T HN 0.817 nan 8.240 nan 0.000 0.441 240 D N 1.612 121.945 120.400 -0.112 0.000 2.507 240 D HA 0.169 4.841 4.640 0.052 0.000 0.280 240 D C 1.127 177.372 176.300 -0.092 0.000 1.219 240 D CA -0.898 53.044 54.000 -0.097 0.000 1.085 240 D CB 0.614 41.372 40.800 -0.070 0.000 1.134 240 D HN 0.517 nan 8.370 nan 0.000 0.583 241 K N -1.407 118.958 120.400 -0.058 0.000 2.515 241 K HA -0.092 4.259 4.320 0.052 0.000 0.196 241 K C -0.228 176.354 176.600 -0.031 0.000 1.038 241 K CA 0.761 57.029 56.287 -0.032 0.000 0.967 241 K CB -0.765 31.728 32.500 -0.013 0.000 0.780 241 K HN 0.407 nan 8.250 nan 0.000 0.483 242 N N 0.334 119.010 118.700 -0.040 0.000 2.673 242 N HA 0.057 4.828 4.740 0.052 0.000 0.265 242 N C -0.877 174.609 175.510 -0.040 0.000 1.709 242 N CA -0.561 52.469 53.050 -0.034 0.000 0.792 242 N CB 0.797 39.272 38.487 -0.021 0.000 1.286 242 N HN -0.031 nan 8.380 nan 0.000 0.506 243 Q N -1.420 118.346 119.800 -0.057 0.000 2.284 243 Q HA -0.218 4.153 4.340 0.052 0.000 0.205 243 Q C -0.588 175.383 176.000 -0.049 0.000 0.682 243 Q CA 1.282 57.050 55.803 -0.057 0.000 1.401 243 Q CB -1.261 27.451 28.738 -0.043 0.000 1.643 243 Q HN 0.629 nan 8.270 nan 0.000 0.717 244 K N 1.624 121.998 120.400 -0.044 0.000 2.315 244 K HA 0.239 4.591 4.320 0.052 0.000 0.281 244 K C 0.244 176.820 176.600 -0.040 0.000 1.086 244 K CA 0.029 56.295 56.287 -0.035 0.000 1.042 244 K CB 0.235 32.717 32.500 -0.029 0.000 0.949 244 K HN -0.000 nan 8.250 nan 0.000 0.450 245 V N 1.931 121.824 119.914 -0.035 0.000 2.649 245 V HA 0.233 4.384 4.120 0.052 0.000 0.292 245 V C 0.730 176.812 176.094 -0.019 0.000 1.055 245 V CA -0.153 62.127 62.300 -0.033 0.000 1.023 245 V CB 1.511 33.315 31.823 -0.030 0.000 0.992 245 V HN 0.777 nan 8.190 nan 0.000 0.480 246 S N 1.963 117.654 115.700 -0.015 0.000 2.671 246 S HA 0.713 5.214 4.470 0.052 0.000 0.277 246 S C -0.780 173.827 174.600 0.012 0.000 1.165 246 S CA -0.427 57.773 58.200 0.001 0.000 0.822 246 S CB 2.396 65.596 63.200 0.001 0.000 1.150 246 S HN 0.749 nan 8.310 nan 0.000 0.479 247 T N 2.476 117.048 114.554 0.030 0.000 3.201 247 T HA 0.312 4.693 4.350 0.052 0.000 0.338 247 T C -0.228 174.518 174.700 0.076 0.000 1.095 247 T CA -0.399 61.729 62.100 0.046 0.000 1.426 247 T CB -0.645 68.247 68.868 0.041 0.000 0.956 247 T HN 0.617 nan 8.240 nan 0.000 0.551 248 I N 0.612 121.244 120.570 0.102 0.000 2.575 248 I HA 0.594 4.795 4.170 0.052 0.000 0.285 248 I C 0.708 176.934 176.117 0.182 0.000 1.085 248 I CA -0.459 60.942 61.300 0.169 0.000 1.403 248 I CB 0.661 38.828 38.000 0.277 0.000 1.409 248 I HN 0.390 nan 8.210 nan 0.000 0.557 249 T N 2.396 117.078 114.554 0.212 0.000 2.909 249 T HA 0.764 5.145 4.350 0.052 0.000 0.286 249 T C 0.083 174.942 174.700 0.265 0.000 1.002 249 T CA -0.480 61.768 62.100 0.247 0.000 1.074 249 T CB 1.465 70.522 68.868 0.314 0.000 0.984 249 T HN 1.051 nan 8.240 nan 0.000 0.495 250 G N 0.895 109.778 108.800 0.138 0.000 2.620 250 G HA2 0.419 4.410 3.960 0.052 0.000 0.301 250 G HA3 0.419 4.410 3.960 0.052 0.000 0.301 250 G C 0.275 174.973 174.900 -0.336 0.000 1.347 250 G CA -0.836 44.277 45.100 0.020 0.000 0.971 250 G HN 0.653 nan 8.290 nan 0.000 0.488 251 N N 0.276 118.756 118.700 -0.367 0.000 2.132 251 N HA -0.005 4.766 4.740 0.052 0.000 0.187 251 N C 0.436 175.901 175.510 -0.075 0.000 1.038 251 N CA 1.084 53.874 53.050 -0.433 0.000 0.846 251 N CB 0.108 38.586 38.487 -0.016 0.000 1.012 251 N HN 0.269 nan 8.380 nan 0.000 0.429 252 K N 0.696 121.127 120.400 0.052 0.000 2.182 252 K HA 0.322 4.673 4.320 0.052 0.000 0.262 252 K C -0.701 175.948 176.600 0.081 0.000 0.957 252 K CA -0.668 55.671 56.287 0.087 0.000 0.842 252 K CB 2.084 34.661 32.500 0.128 0.000 1.099 252 K HN 0.118 nan 8.250 nan 0.000 0.438 253 I N 4.006 124.624 120.570 0.080 0.000 2.406 253 I HA 0.432 4.633 4.170 0.052 0.000 0.290 253 I C 0.124 176.329 176.117 0.145 0.000 0.999 253 I CA -0.800 60.540 61.300 0.068 0.000 1.124 253 I CB 1.138 39.133 38.000 -0.009 0.000 1.289 253 I HN 0.437 nan 8.210 nan 0.000 0.441 254 I N 6.422 127.059 120.570 0.111 0.000 2.389 254 I HA 0.355 4.556 4.170 0.052 0.000 0.288 254 I C -0.405 175.760 176.117 0.081 0.000 0.999 254 I CA -0.639 60.735 61.300 0.123 0.000 1.129 254 I CB 1.848 39.906 38.000 0.098 0.000 1.288 254 I HN 0.258 nan 8.210 nan 0.000 0.444 255 L N 6.604 127.876 121.223 0.083 0.000 2.260 255 L HA 0.576 4.947 4.340 0.052 0.000 0.289 255 L C 0.451 177.357 176.870 0.059 0.000 1.057 255 L CA -0.189 54.686 54.840 0.057 0.000 0.811 255 L CB 1.144 43.230 42.059 0.044 0.000 1.184 255 L HN 0.732 nan 8.230 nan 0.000 0.429 256 A N 1.200 124.050 122.820 0.051 0.000 3.365 256 A HA 0.301 4.652 4.320 0.052 0.000 0.258 256 A C 0.813 178.424 177.584 0.046 0.000 0.964 256 A CA -0.156 51.910 52.037 0.049 0.000 0.988 256 A CB -0.021 19.006 19.000 0.045 0.000 1.193 256 A HN 0.733 nan 8.150 nan 0.000 0.508 257 T N -3.226 111.357 114.554 0.049 0.000 3.057 257 T HA 0.457 4.838 4.350 0.052 0.000 0.254 257 T C 1.320 176.056 174.700 0.060 0.000 1.094 257 T CA 1.087 63.220 62.100 0.055 0.000 1.088 257 T CB -0.128 68.772 68.868 0.054 0.000 0.934 257 T HN 2.106 nan 8.240 nan 0.000 0.497 258 G N 1.046 109.880 108.800 0.056 0.000 2.698 258 G HA2 -0.145 3.846 3.960 0.052 0.000 0.233 258 G HA3 -0.145 3.846 3.960 0.052 0.000 0.233 258 G C -0.757 174.182 174.900 0.066 0.000 1.352 258 G CA -0.195 44.942 45.100 0.062 0.000 0.879 258 G HN 0.637 nan 8.290 nan 0.000 0.567 259 E N -0.402 119.842 120.200 0.074 0.000 2.316 259 E HA 0.786 5.167 4.350 0.052 0.000 0.258 259 E C -0.053 176.603 176.600 0.092 0.000 0.952 259 E CA -1.096 55.349 56.400 0.075 0.000 0.818 259 E CB 1.397 31.138 29.700 0.068 0.000 1.260 259 E HN 0.449 nan 8.360 nan 0.000 0.416 260 R N 0.318 120.872 120.500 0.090 0.000 2.774 260 R HA 0.428 4.799 4.340 0.052 0.000 0.272 260 R C -2.754 173.601 176.300 0.092 0.000 1.000 260 R CA -2.457 53.710 56.100 0.111 0.000 0.906 260 R CB 0.961 31.334 30.300 0.122 0.000 1.227 260 R HN 0.308 nan 8.270 nan 0.000 0.468 261 P HA 0.168 nan 4.420 nan 0.000 0.276 261 P C -0.509 176.812 177.300 0.037 0.000 1.253 261 P CA -0.135 62.986 63.100 0.035 0.000 0.766 261 P CB 0.450 32.147 31.700 -0.006 0.000 0.845 262 K N 3.201 123.608 120.400 0.011 0.000 2.451 262 K HA 0.085 4.436 4.320 0.052 0.000 0.280 262 K C -0.293 176.268 176.600 -0.065 0.000 1.020 262 K CA 0.371 56.669 56.287 0.018 0.000 1.008 262 K CB 0.104 32.604 32.500 0.001 0.000 0.917 262 K HN 0.433 nan 8.250 nan 0.000 0.478 263 Y N 3.476 123.698 120.300 -0.130 0.000 2.334 263 Y HA 0.202 4.777 4.550 0.042 0.000 0.328 263 Y C -1.552 174.167 175.900 -0.302 0.000 1.130 263 Y CA -1.991 55.934 58.100 -0.292 0.000 1.163 263 Y CB 0.911 39.209 38.460 -0.270 0.000 1.207 263 Y HN 0.528 nan 8.280 nan 0.000 0.471 264 P HA 0.039 nan 4.420 nan 0.000 0.275 264 P C -0.794 176.430 177.300 -0.126 0.000 1.228 264 P CA -0.456 62.531 63.100 -0.190 0.000 0.786 264 P CB 1.045 32.617 31.700 -0.214 0.000 0.927 265 E N 2.209 122.371 120.200 -0.063 0.000 2.222 265 E HA 0.208 4.590 4.350 0.052 0.000 0.312 265 E C -0.152 176.433 176.600 -0.025 0.000 1.263 265 E CA -0.111 56.265 56.400 -0.040 0.000 1.356 265 E CB -1.482 28.204 29.700 -0.022 0.000 1.180 265 E HN 0.379 nan 8.360 nan 0.000 0.494 266 I N -1.941 118.611 120.570 -0.031 0.000 2.865 266 I HA 0.665 4.867 4.170 0.052 0.000 0.302 266 I C -2.487 173.646 176.117 0.027 0.000 1.140 266 I CA -3.034 58.273 61.300 0.011 0.000 1.021 266 I CB 2.155 40.177 38.000 0.036 0.000 1.233 266 I HN -0.086 nan 8.210 nan 0.000 0.427 267 P HA 0.181 nan 4.420 nan 0.000 0.268 267 P C 0.775 178.150 177.300 0.126 0.000 1.205 267 P CA 0.913 64.054 63.100 0.068 0.000 0.771 267 P CB 1.043 32.789 31.700 0.077 0.000 0.858 268 G N 2.098 110.969 108.800 0.118 0.000 2.225 268 G HA2 -0.355 3.636 3.960 0.052 0.000 0.254 268 G HA3 -0.355 3.636 3.960 0.052 0.000 0.254 268 G C 1.118 176.150 174.900 0.220 0.000 0.988 268 G CA 0.727 45.965 45.100 0.230 0.000 0.625 268 G HN 0.727 nan 8.290 nan 0.000 0.527 269 A N 0.142 123.071 122.820 0.182 0.000 1.851 269 A HA 0.203 4.554 4.320 0.052 0.000 0.216 269 A C 2.556 180.313 177.584 0.288 0.000 1.195 269 A CA 2.941 55.144 52.037 0.276 0.000 0.622 269 A CB -0.802 18.157 19.000 -0.068 0.000 0.831 269 A HN 1.105 nan 8.150 nan 0.000 0.444 270 V N 0.127 119.988 119.914 -0.089 0.000 2.720 270 V HA -0.211 3.941 4.120 0.052 0.000 0.256 270 V C 2.322 178.286 176.094 -0.216 0.000 1.082 270 V CA 2.339 64.377 62.300 -0.435 0.000 1.101 270 V CB -0.885 30.587 31.823 -0.586 0.000 0.693 270 V HN 0.649 nan 8.190 nan 0.000 0.479 271 E N -1.220 118.831 120.200 -0.248 0.000 2.102 271 E HA -0.003 4.378 4.350 0.052 0.000 0.190 271 E C 1.653 177.993 176.600 -0.433 0.000 0.971 271 E CA 1.100 57.208 56.400 -0.487 0.000 0.821 271 E CB -0.118 29.040 29.700 -0.903 0.000 0.777 271 E HN 0.780 nan 8.360 nan 0.000 0.460 272 Y N -0.548 119.837 120.300 0.142 0.000 2.467 272 Y HA 0.385 4.969 4.550 0.056 0.000 0.259 272 Y C 1.293 177.290 175.900 0.163 0.000 1.084 272 Y CA -0.363 57.816 58.100 0.131 0.000 1.275 272 Y CB 0.599 39.120 38.460 0.102 0.000 1.208 272 Y HN -0.048 nan 8.280 nan 0.000 0.511 273 G N 1.719 110.765 108.800 0.411 0.000 2.448 273 G HA2 0.519 4.510 3.960 0.052 0.000 0.285 273 G HA3 0.519 4.510 3.960 0.052 0.000 0.285 273 G C -0.579 174.537 174.900 0.360 0.000 1.176 273 G CA -0.469 44.853 45.100 0.371 0.000 0.852 273 G HN 0.260 nan 8.290 nan 0.000 0.530 274 I N -1.086 119.564 120.570 0.134 0.000 2.693 274 I HA 0.793 4.994 4.170 0.052 0.000 0.303 274 I C 0.300 176.420 176.117 0.005 0.000 1.025 274 I CA -0.930 60.437 61.300 0.111 0.000 1.086 274 I CB 2.501 40.516 38.000 0.025 0.000 1.268 274 I HN 0.543 nan 8.210 nan 0.000 0.440 275 T N 0.359 114.915 114.554 0.004 0.000 2.893 275 T HA 0.280 4.661 4.350 0.052 0.000 0.279 275 T C 1.194 175.838 174.700 -0.092 0.000 0.991 275 T CA -0.074 61.978 62.100 -0.081 0.000 0.950 275 T CB 1.123 69.946 68.868 -0.074 0.000 1.223 275 T HN 0.806 nan 8.240 nan 0.000 0.585 276 S N -0.127 115.513 115.700 -0.100 0.000 2.423 276 S HA -0.146 4.355 4.470 0.052 0.000 0.231 276 S C 1.274 175.815 174.600 -0.098 0.000 1.014 276 S CA 1.120 59.220 58.200 -0.166 0.000 0.965 276 S CB -0.839 62.340 63.200 -0.035 0.000 0.785 276 S HN 0.646 nan 8.310 nan 0.000 0.495 277 D N 2.302 122.725 120.400 0.038 0.000 2.158 277 D HA -0.097 4.575 4.640 0.052 0.000 0.197 277 D C 1.542 177.932 176.300 0.149 0.000 0.995 277 D CA 1.461 55.532 54.000 0.119 0.000 0.846 277 D CB -0.364 40.648 40.800 0.353 0.000 0.941 277 D HN 0.540 nan 8.370 nan 0.000 0.456 278 D N -0.251 120.210 120.400 0.102 0.000 2.183 278 D HA -0.057 4.614 4.640 0.052 0.000 0.205 278 D C 2.228 178.526 176.300 -0.003 0.000 0.962 278 D CA 0.012 54.068 54.000 0.094 0.000 0.849 278 D CB -0.102 40.749 40.800 0.084 0.000 0.978 278 D HN 0.122 nan 8.370 nan 0.000 0.488 279 L N 0.546 121.673 121.223 -0.160 0.000 2.079 279 L HA -0.168 4.203 4.340 0.052 0.000 0.210 279 L C 1.750 178.564 176.870 -0.093 0.000 1.081 279 L CA 1.577 56.274 54.840 -0.239 0.000 0.752 279 L CB -0.587 41.185 42.059 -0.479 0.000 0.896 279 L HN -0.145 nan 8.230 nan 0.000 0.433 280 F N -1.046 118.980 119.950 0.127 0.000 2.661 280 F HA 0.043 4.598 4.527 0.047 0.000 0.298 280 F C 2.396 178.230 175.800 0.056 0.000 1.137 280 F CA 0.762 58.809 58.000 0.078 0.000 1.454 280 F CB -0.789 38.195 39.000 -0.026 0.000 1.103 280 F HN 0.331 nan 8.300 nan 0.000 0.577 281 S N -1.161 114.671 115.700 0.221 0.000 2.559 281 S HA 0.215 4.716 4.470 0.052 0.000 0.226 281 S C 0.348 175.045 174.600 0.162 0.000 1.000 281 S CA -0.348 57.957 58.200 0.175 0.000 0.948 281 S CB -0.485 62.826 63.200 0.184 0.000 0.870 281 S HN 0.056 nan 8.310 nan 0.000 0.497 282 L N 3.208 124.532 121.223 0.167 0.000 2.578 282 L HA 0.218 4.589 4.340 0.052 0.000 0.279 282 L C -1.682 175.277 176.870 0.148 0.000 1.227 282 L CA -0.856 54.010 54.840 0.044 0.000 0.900 282 L CB 0.599 42.610 42.059 -0.079 0.000 1.144 282 L HN 0.027 nan 8.230 nan 0.000 0.496 283 P HA -0.038 nan 4.420 nan 0.000 0.218 283 P C -1.336 176.115 177.300 0.252 0.000 1.152 283 P CA 0.944 64.134 63.100 0.150 0.000 0.826 283 P CB 0.093 31.898 31.700 0.174 0.000 0.790 284 Y N -3.541 116.878 120.300 0.199 0.000 2.487 284 Y HA 0.597 5.178 4.550 0.052 0.000 0.337 284 Y C -0.131 175.606 175.900 -0.272 0.000 1.076 284 Y CA -2.473 55.681 58.100 0.090 0.000 1.115 284 Y CB 0.095 38.576 38.460 0.035 0.000 1.235 284 Y HN -0.277 nan 8.280 nan 0.000 0.468 285 F N 4.854 124.643 119.950 -0.269 0.000 2.578 285 F HA 0.281 4.840 4.527 0.053 0.000 0.381 285 F C -1.698 173.898 175.800 -0.339 0.000 1.069 285 F CA -2.514 55.079 58.000 -0.677 0.000 1.231 285 F CB 0.869 39.767 39.000 -0.170 0.000 1.086 285 F HN 0.412 nan 8.300 nan 0.000 0.564 286 P HA -0.031 nan 4.420 nan 0.000 0.217 286 P C 0.690 177.669 177.300 -0.536 0.000 1.151 286 P CA 1.992 64.663 63.100 -0.714 0.000 0.849 286 P CB -0.281 30.914 31.700 -0.841 0.000 0.787 287 G N -0.965 107.325 108.800 -0.851 0.000 2.593 287 G HA2 -0.301 3.691 3.960 0.052 0.000 0.237 287 G HA3 -0.301 3.691 3.960 0.052 0.000 0.237 287 G C -0.440 174.361 174.900 -0.165 0.000 1.312 287 G CA -0.241 44.723 45.100 -0.227 0.000 0.896 287 G HN 0.450 nan 8.290 nan 0.000 0.574 288 K N 0.743 121.137 120.400 -0.010 0.000 2.440 288 K HA 0.324 4.675 4.320 0.052 0.000 0.275 288 K C -0.286 176.370 176.600 0.093 0.000 1.082 288 K CA 1.264 57.586 56.287 0.058 0.000 1.135 288 K CB -0.384 32.144 32.500 0.046 0.000 0.864 288 K HN 0.556 nan 8.250 nan 0.000 0.479 289 T N 5.021 119.607 114.554 0.054 0.000 2.861 289 T HA 0.330 4.711 4.350 0.052 0.000 0.287 289 T C -1.270 173.254 174.700 -0.292 0.000 1.003 289 T CA -0.749 61.276 62.100 -0.124 0.000 0.977 289 T CB 1.130 69.837 68.868 -0.268 0.000 0.996 289 T HN 0.466 nan 8.240 nan 0.000 0.448 290 L N 4.461 125.272 121.223 -0.687 0.000 2.287 290 L HA 0.674 5.045 4.340 0.052 0.000 0.287 290 L C -0.883 175.628 176.870 -0.600 0.000 1.022 290 L CA -0.471 53.795 54.840 -0.956 0.000 0.814 290 L CB 1.067 42.151 42.059 -1.624 0.000 1.217 290 L HN 0.429 nan 8.230 nan 0.000 0.420 291 V N 6.994 126.631 119.914 -0.462 0.000 2.432 291 V HA 0.373 4.524 4.120 0.052 0.000 0.275 291 V C 0.260 176.160 176.094 -0.322 0.000 1.043 291 V CA -0.248 61.831 62.300 -0.368 0.000 0.925 291 V CB 1.332 32.982 31.823 -0.289 0.000 0.985 291 V HN 0.595 nan 8.190 nan 0.000 0.466 292 I N 5.129 125.526 120.570 -0.287 0.000 2.330 292 I HA 0.756 4.957 4.170 0.052 0.000 0.286 292 I C 0.639 176.718 176.117 -0.063 0.000 1.025 292 I CA 0.241 61.443 61.300 -0.162 0.000 1.197 292 I CB 1.111 39.060 38.000 -0.085 0.000 1.358 292 I HN 0.856 nan 8.210 nan 0.000 0.467 293 G N 4.184 112.949 108.800 -0.058 0.000 2.368 293 G HA2 0.412 4.403 3.960 0.052 0.000 0.302 293 G HA3 0.412 4.403 3.960 0.052 0.000 0.302 293 G C -0.908 173.993 174.900 0.001 0.000 1.329 293 G CA -0.007 45.081 45.100 -0.021 0.000 0.935 293 G HN 0.614 nan 8.290 nan 0.000 0.590 294 A N -0.572 122.265 122.820 0.028 0.000 2.596 294 A HA 0.690 5.041 4.320 0.052 0.000 0.276 294 A C 0.983 178.617 177.584 0.083 0.000 0.962 294 A CA 1.247 53.322 52.037 0.064 0.000 1.010 294 A CB -0.470 18.576 19.000 0.076 0.000 1.220 294 A HN 2.221 nan 8.150 nan 0.000 0.549 295 S N -0.414 115.321 115.700 0.059 0.000 2.596 295 S HA 0.248 4.749 4.470 0.052 0.000 0.260 295 S C 1.100 175.744 174.600 0.075 0.000 1.336 295 S CA 0.317 58.572 58.200 0.091 0.000 0.993 295 S CB -0.094 63.100 63.200 -0.011 0.000 0.923 295 S HN 1.035 nan 8.310 nan 0.000 0.567 296 Y N -0.169 120.179 120.300 0.079 0.000 2.315 296 Y HA -0.054 4.527 4.550 0.051 0.000 0.288 296 Y C 1.751 177.691 175.900 0.067 0.000 1.154 296 Y CA 1.026 59.137 58.100 0.019 0.000 1.229 296 Y CB -1.370 37.083 38.460 -0.013 0.000 0.980 296 Y HN 0.294 nan 8.280 nan 0.000 0.540 297 V N 1.319 120.894 119.914 -0.565 0.000 2.295 297 V HA -0.323 3.828 4.120 0.052 0.000 0.246 297 V C 2.890 178.914 176.094 -0.116 0.000 1.049 297 V CA 1.952 64.052 62.300 -0.334 0.000 1.024 297 V CB -1.455 30.158 31.823 -0.351 0.000 0.648 297 V HN 0.665 nan 8.190 nan 0.000 0.447 298 A N -0.342 122.415 122.820 -0.104 0.000 1.858 298 A HA -0.145 4.206 4.320 0.052 0.000 0.216 298 A C 2.195 179.744 177.584 -0.058 0.000 1.190 298 A CA 1.838 53.825 52.037 -0.083 0.000 0.617 298 A CB -0.548 18.418 19.000 -0.057 0.000 0.827 298 A HN 0.493 nan 8.150 nan 0.000 0.443 299 L N -0.947 120.282 121.223 0.010 0.000 2.156 299 L HA -0.154 4.218 4.340 0.052 0.000 0.208 299 L C 2.559 179.460 176.870 0.051 0.000 1.095 299 L CA 1.273 56.145 54.840 0.054 0.000 0.770 299 L CB -0.578 41.548 42.059 0.112 0.000 0.914 299 L HN 0.476 nan 8.230 nan 0.000 0.439 300 E N -0.427 119.819 120.200 0.077 0.000 2.058 300 E HA -0.244 4.137 4.350 0.052 0.000 0.194 300 E C 2.329 178.970 176.600 0.068 0.000 0.997 300 E CA 1.835 58.322 56.400 0.146 0.000 0.801 300 E CB -0.160 29.683 29.700 0.238 0.000 0.746 300 E HN 0.529 nan 8.360 nan 0.000 0.450 301 C N 0.465 119.698 119.300 -0.111 0.000 2.453 301 C HA -0.030 4.461 4.460 0.052 0.000 0.277 301 C C 2.897 177.493 174.990 -0.657 0.000 1.262 301 C CA 0.629 59.294 59.018 -0.590 0.000 1.718 301 C CB -0.972 26.552 27.740 -0.360 0.000 2.031 301 C HN 0.531 nan 8.230 nan 0.000 0.480 302 A N 0.976 123.597 122.820 -0.332 0.000 1.948 302 A HA -0.044 4.307 4.320 0.052 0.000 0.220 302 A C 2.362 179.848 177.584 -0.164 0.000 1.177 302 A CA 2.304 54.189 52.037 -0.254 0.000 0.636 302 A CB -1.248 17.633 19.000 -0.197 0.000 0.815 302 A HN 0.583 nan 8.150 nan 0.000 0.449 303 G N -0.532 108.226 108.800 -0.071 0.000 2.402 303 G HA2 -0.126 3.866 3.960 0.052 0.000 0.216 303 G HA3 -0.126 3.866 3.960 0.052 0.000 0.216 303 G C 1.422 176.433 174.900 0.185 0.000 1.162 303 G CA 1.135 46.292 45.100 0.095 0.000 0.777 303 G HN 0.845 nan 8.290 nan 0.000 0.539 304 F N 0.007 120.078 119.950 0.202 0.000 2.512 304 F HA 0.364 4.921 4.527 0.050 0.000 0.296 304 F C 2.061 177.987 175.800 0.210 0.000 1.110 304 F CA 0.061 58.194 58.000 0.222 0.000 1.446 304 F CB -0.178 38.972 39.000 0.249 0.000 1.092 304 F HN -0.001 nan 8.300 nan 0.000 0.554 305 L N 1.077 122.261 121.223 -0.066 0.000 2.072 305 L HA -0.042 4.330 4.340 0.052 0.000 0.205 305 L C 3.037 180.024 176.870 0.195 0.000 1.079 305 L CA 1.005 55.918 54.840 0.122 0.000 0.752 305 L CB -1.041 40.923 42.059 -0.159 0.000 0.906 305 L HN 0.334 nan 8.230 nan 0.000 0.436 306 A N -0.496 122.386 122.820 0.105 0.000 1.865 306 A HA -0.234 4.117 4.320 0.052 0.000 0.217 306 A C 2.491 180.186 177.584 0.184 0.000 1.191 306 A CA 2.275 54.392 52.037 0.134 0.000 0.623 306 A CB -0.797 18.266 19.000 0.105 0.000 0.826 306 A HN 0.341 nan 8.150 nan 0.000 0.444 307 S N -0.579 115.253 115.700 0.221 0.000 2.442 307 S HA -0.009 4.492 4.470 0.052 0.000 0.236 307 S C 1.149 175.786 174.600 0.062 0.000 1.007 307 S CA 0.957 59.271 58.200 0.189 0.000 0.965 307 S CB -0.362 62.989 63.200 0.251 0.000 0.773 307 S HN 0.472 nan 8.310 nan 0.000 0.504 308 L N 0.849 122.140 121.223 0.115 0.000 2.737 308 L HA 0.299 4.670 4.340 0.052 0.000 0.236 308 L C 1.358 178.244 176.870 0.028 0.000 1.219 308 L CA 0.005 54.841 54.840 -0.006 0.000 1.021 308 L CB -0.502 41.572 42.059 0.025 0.000 1.291 308 L HN 0.362 nan 8.230 nan 0.000 0.470 309 G N 0.023 108.870 108.800 0.078 0.000 2.160 309 G HA2 -0.230 3.761 3.960 0.052 0.000 0.251 309 G HA3 -0.230 3.761 3.960 0.052 0.000 0.251 309 G C 0.488 175.485 174.900 0.162 0.000 1.008 309 G CA -0.016 45.127 45.100 0.071 0.000 0.724 309 G HN 0.566 nan 8.290 nan 0.000 0.514 310 G N -0.819 108.178 108.800 0.328 0.000 2.476 310 G HA2 0.491 4.482 3.960 0.052 0.000 0.286 310 G HA3 0.491 4.482 3.960 0.052 0.000 0.286 310 G C -0.629 174.384 174.900 0.188 0.000 1.177 310 G CA -0.023 45.332 45.100 0.425 0.000 0.870 310 G HN 0.212 nan 8.290 nan 0.000 0.528 311 D N 0.209 120.693 120.400 0.141 0.000 2.365 311 D HA 0.359 5.030 4.640 0.052 0.000 0.237 311 D C -0.261 176.072 176.300 0.055 0.000 1.190 311 D CA 0.010 54.061 54.000 0.085 0.000 0.867 311 D CB 1.012 41.858 40.800 0.076 0.000 1.050 311 D HN 0.034 nan 8.370 nan 0.000 0.491 312 V N 3.670 123.596 119.914 0.019 0.000 2.448 312 V HA 0.480 4.631 4.120 0.052 0.000 0.295 312 V C 0.307 176.348 176.094 -0.088 0.000 1.025 312 V CA -0.653 61.613 62.300 -0.057 0.000 0.859 312 V CB 2.009 33.769 31.823 -0.106 0.000 0.988 312 V HN 0.500 nan 8.190 nan 0.000 0.431 313 T N 3.992 118.479 114.554 -0.111 0.000 2.841 313 T HA 0.629 5.010 4.350 0.052 0.000 0.283 313 T C -0.500 174.005 174.700 -0.325 0.000 1.000 313 T CA -0.463 61.538 62.100 -0.167 0.000 0.977 313 T CB 1.869 70.776 68.868 0.065 0.000 0.979 313 T HN 0.344 nan 8.240 nan 0.000 0.446 314 V N 3.891 123.559 119.914 -0.411 0.000 2.417 314 V HA 0.497 4.648 4.120 0.052 0.000 0.291 314 V C -0.071 175.914 176.094 -0.182 0.000 1.024 314 V CA -0.911 61.192 62.300 -0.329 0.000 0.861 314 V CB 1.472 33.077 31.823 -0.363 0.000 0.985 314 V HN 0.933 nan 8.190 nan 0.000 0.436 315 M N 6.464 125.948 119.600 -0.194 0.000 2.113 315 M HA 0.641 5.153 4.480 0.052 0.000 0.352 315 M C -1.419 174.824 176.300 -0.096 0.000 1.170 315 M CA -0.095 55.090 55.300 -0.191 0.000 1.053 315 M CB 1.138 33.541 32.600 -0.328 0.000 1.601 315 M HN 0.443 nan 8.290 nan 0.000 0.459 316 V N 6.359 126.251 119.914 -0.036 0.000 2.444 316 V HA 0.393 4.544 4.120 0.052 0.000 0.294 316 V C 0.790 176.872 176.094 -0.019 0.000 1.022 316 V CA -0.721 61.587 62.300 0.013 0.000 0.850 316 V CB 1.230 33.107 31.823 0.090 0.000 0.992 316 V HN 1.024 nan 8.190 nan 0.000 0.426 317 R N 2.796 123.280 120.500 -0.026 0.000 2.073 317 R HA -0.067 4.305 4.340 0.052 0.000 0.229 317 R C 1.585 177.886 176.300 0.002 0.000 1.120 317 R CA 2.037 58.118 56.100 -0.031 0.000 0.967 317 R CB 0.326 30.608 30.300 -0.030 0.000 0.862 317 R HN 0.863 nan 8.270 nan 0.000 0.436 318 S N -0.620 115.088 115.700 0.013 0.000 4.207 318 S HA 0.226 4.727 4.470 0.052 0.000 0.177 318 S C 0.689 175.300 174.600 0.017 0.000 0.981 318 S CA -0.266 57.945 58.200 0.019 0.000 1.097 318 S CB -0.128 63.084 63.200 0.021 0.000 1.525 318 S HN 0.300 nan 8.310 nan 0.000 0.686 319 I N -0.040 120.543 120.570 0.023 0.000 3.002 319 I HA 0.678 4.879 4.170 0.052 0.000 0.310 319 I C -1.265 174.873 176.117 0.035 0.000 1.087 319 I CA -1.538 59.774 61.300 0.019 0.000 1.017 319 I CB 1.803 39.818 38.000 0.025 0.000 1.226 319 I HN 0.271 nan 8.210 nan 0.000 0.443 320 L N 4.130 125.367 121.223 0.023 0.000 2.350 320 L HA 0.434 4.806 4.340 0.052 0.000 0.275 320 L C -0.020 176.906 176.870 0.093 0.000 1.099 320 L CA -1.026 53.842 54.840 0.047 0.000 0.808 320 L CB 1.014 43.074 42.059 0.000 0.000 1.149 320 L HN 0.643 nan 8.230 nan 0.000 0.442 321 L N 1.889 123.196 121.223 0.140 0.000 3.895 321 L HA -0.235 4.136 4.340 0.052 0.000 0.511 321 L C 0.754 177.834 176.870 0.350 0.000 1.222 321 L CA 0.197 55.197 54.840 0.268 0.000 0.739 321 L CB -1.456 40.681 42.059 0.131 0.000 1.425 321 L HN 0.708 nan 8.230 nan 0.000 0.817 322 R N 0.996 121.640 120.500 0.239 0.000 2.638 322 R HA 0.229 4.601 4.340 0.052 0.000 0.268 322 R C 1.519 177.927 176.300 0.181 0.000 1.006 322 R CA 1.418 57.622 56.100 0.173 0.000 1.088 322 R CB 0.346 30.714 30.300 0.113 0.000 0.950 322 R HN 0.582 nan 8.270 nan 0.000 0.419 323 G N 3.330 112.186 108.800 0.093 0.000 2.454 323 G HA2 -0.314 3.677 3.960 0.052 0.000 0.225 323 G HA3 -0.314 3.677 3.960 0.052 0.000 0.225 323 G C 0.029 174.893 174.900 -0.060 0.000 1.138 323 G CA 0.055 45.138 45.100 -0.028 0.000 0.667 323 G HN 0.531 nan 8.290 nan 0.000 0.512 324 F N 2.605 122.621 119.950 0.111 0.000 2.444 324 F HA 0.413 4.971 4.527 0.050 0.000 0.331 324 F C 1.065 176.950 175.800 0.141 0.000 1.167 324 F CA 0.010 58.110 58.000 0.168 0.000 1.262 324 F CB 0.414 39.562 39.000 0.247 0.000 1.196 324 F HN 0.108 nan 8.300 nan 0.000 0.583 325 D N 2.108 122.737 120.400 0.383 0.000 2.502 325 D HA -0.095 4.576 4.640 0.052 0.000 0.249 325 D C 0.649 177.008 176.300 0.098 0.000 1.188 325 D CA 0.113 54.215 54.000 0.170 0.000 0.890 325 D CB 0.921 41.746 40.800 0.042 0.000 1.140 325 D HN 0.480 nan 8.370 nan 0.000 0.505 326 Q N 2.976 122.803 119.800 0.045 0.000 2.245 326 Q HA -0.150 4.221 4.340 0.052 0.000 0.201 326 Q C 1.669 177.642 176.000 -0.045 0.000 0.955 326 Q CA 0.645 56.456 55.803 0.013 0.000 0.870 326 Q CB -0.063 28.683 28.738 0.014 0.000 0.945 326 Q HN 0.712 nan 8.270 nan 0.000 0.461 327 Q N -0.087 119.675 119.800 -0.064 0.000 2.050 327 Q HA -0.141 4.230 4.340 0.052 0.000 0.202 327 Q C 1.795 177.707 176.000 -0.146 0.000 0.980 327 Q CA 1.124 56.870 55.803 -0.095 0.000 0.840 327 Q CB 0.161 28.856 28.738 -0.073 0.000 0.898 327 Q HN 0.246 nan 8.270 nan 0.000 0.424 328 M N -0.260 119.231 119.600 -0.182 0.000 2.200 328 M HA -0.049 4.462 4.480 0.052 0.000 0.265 328 M C 2.268 178.348 176.300 -0.366 0.000 1.066 328 M CA 1.301 56.388 55.300 -0.354 0.000 1.127 328 M CB -1.208 30.998 32.600 -0.657 0.000 1.379 328 M HN 0.302 nan 8.290 nan 0.000 0.420 329 A N 0.250 122.945 122.820 -0.209 0.000 1.902 329 A HA -0.208 4.143 4.320 0.052 0.000 0.217 329 A C 2.147 179.660 177.584 -0.119 0.000 1.181 329 A CA 1.996 53.960 52.037 -0.121 0.000 0.623 329 A CB -0.807 18.188 19.000 -0.009 0.000 0.818 329 A HN 0.578 nan 8.150 nan 0.000 0.443 330 E N 0.137 120.266 120.200 -0.118 0.000 2.049 330 E HA -0.261 4.121 4.350 0.052 0.000 0.198 330 E C 1.938 178.463 176.600 -0.125 0.000 1.007 330 E CA 1.798 58.123 56.400 -0.125 0.000 0.809 330 E CB -0.142 29.488 29.700 -0.116 0.000 0.749 330 E HN 0.620 nan 8.360 nan 0.000 0.450 331 K N 0.005 120.320 120.400 -0.142 0.000 2.097 331 K HA -0.099 4.252 4.320 0.052 0.000 0.205 331 K C 2.218 178.795 176.600 -0.038 0.000 1.050 331 K CA 1.172 57.394 56.287 -0.110 0.000 0.938 331 K CB -0.017 32.386 32.500 -0.162 0.000 0.718 331 K HN 0.073 nan 8.250 nan 0.000 0.442 332 V N 1.180 121.049 119.914 -0.076 0.000 2.233 332 V HA -0.233 3.918 4.120 0.052 0.000 0.247 332 V C 2.469 178.605 176.094 0.069 0.000 1.050 332 V CA 2.332 64.631 62.300 -0.001 0.000 1.010 332 V CB -1.124 30.678 31.823 -0.035 0.000 0.637 332 V HN 0.502 nan 8.190 nan 0.000 0.444 333 G N -0.608 108.179 108.800 -0.023 0.000 2.440 333 G HA2 -0.289 3.702 3.960 0.052 0.000 0.218 333 G HA3 -0.289 3.702 3.960 0.052 0.000 0.218 333 G C 1.229 176.088 174.900 -0.069 0.000 1.154 333 G CA 1.195 46.230 45.100 -0.108 0.000 0.767 333 G HN 0.516 nan 8.290 nan 0.000 0.552 334 D N -0.638 119.733 120.400 -0.048 0.000 2.092 334 D HA -0.140 4.531 4.640 0.052 0.000 0.193 334 D C 1.935 178.301 176.300 0.111 0.000 0.994 334 D CA 0.864 54.862 54.000 -0.003 0.000 0.828 334 D CB -0.484 40.304 40.800 -0.019 0.000 0.963 334 D HN 0.370 nan 8.370 nan 0.000 0.450 335 Y N 0.905 121.248 120.300 0.072 0.000 2.081 335 Y HA -0.290 4.291 4.550 0.052 0.000 0.280 335 Y C 2.392 178.442 175.900 0.250 0.000 1.163 335 Y CA 1.819 60.018 58.100 0.165 0.000 1.135 335 Y CB -0.270 38.264 38.460 0.123 0.000 0.970 335 Y HN -0.069 nan 8.280 nan 0.000 0.498 336 M N -0.311 119.510 119.600 0.369 0.000 2.149 336 M HA -0.249 4.262 4.480 0.052 0.000 0.261 336 M C 2.272 178.757 176.300 0.308 0.000 1.064 336 M CA 2.174 57.683 55.300 0.349 0.000 1.102 336 M CB -0.418 32.439 32.600 0.428 0.000 1.369 336 M HN 0.371 nan 8.290 nan 0.000 0.408 337 E N 0.604 121.003 120.200 0.332 0.000 2.072 337 E HA -0.171 4.210 4.350 0.052 0.000 0.191 337 E C 1.458 178.111 176.600 0.088 0.000 0.985 337 E CA 0.916 57.485 56.400 0.282 0.000 0.801 337 E CB 0.095 29.920 29.700 0.208 0.000 0.750 337 E HN 0.433 nan 8.360 nan 0.000 0.452 338 N N -0.033 118.663 118.700 -0.006 0.000 2.635 338 N HA -0.111 4.660 4.740 0.052 0.000 0.191 338 N C 0.012 175.271 175.510 -0.418 0.000 1.155 338 N CA 0.882 53.817 53.050 -0.191 0.000 0.927 338 N CB -0.007 38.340 38.487 -0.233 0.000 0.976 338 N HN 0.312 nan 8.380 nan 0.000 0.448 339 H N -1.976 117.009 119.070 -0.142 0.000 2.665 339 H HA 0.340 4.927 4.556 0.052 0.000 0.248 339 H C 1.113 176.429 175.328 -0.020 0.000 1.175 339 H CA 0.357 56.326 56.048 -0.132 0.000 0.952 339 H CB 0.610 30.218 29.762 -0.256 0.000 1.883 339 H HN 0.145 nan 8.280 nan 0.000 0.623 340 G N 0.028 108.868 108.800 0.068 0.000 2.213 340 G HA2 -0.278 3.713 3.960 0.052 0.000 0.226 340 G HA3 -0.278 3.713 3.960 0.052 0.000 0.226 340 G C 0.052 174.977 174.900 0.042 0.000 0.992 340 G CA 0.065 45.201 45.100 0.060 0.000 0.632 340 G HN 0.193 nan 8.290 nan 0.000 0.511 341 V N 2.883 122.824 119.914 0.045 0.000 2.397 341 V HA 0.286 4.437 4.120 0.052 0.000 0.262 341 V C 0.802 176.804 176.094 -0.154 0.000 1.047 341 V CA 0.050 62.291 62.300 -0.097 0.000 1.003 341 V CB 0.716 32.471 31.823 -0.113 0.000 1.037 341 V HN 0.337 nan 8.190 nan 0.000 0.480 342 K N 5.129 125.433 120.400 -0.160 0.000 2.249 342 K HA 0.500 4.851 4.320 0.052 0.000 0.280 342 K C -0.906 175.551 176.600 -0.239 0.000 1.033 342 K CA -0.038 56.214 56.287 -0.058 0.000 0.946 342 K CB 0.810 33.326 32.500 0.028 0.000 1.005 342 K HN 0.415 nan 8.250 nan 0.000 0.469 343 F N 0.740 120.722 119.950 0.053 0.000 2.458 343 F HA 0.332 4.889 4.527 0.051 0.000 0.336 343 F C 0.292 176.132 175.800 0.066 0.000 1.114 343 F CA -0.919 57.104 58.000 0.038 0.000 0.987 343 F CB 1.788 40.803 39.000 0.025 0.000 1.130 343 F HN 0.511 nan 8.300 nan 0.000 0.458 344 A N 4.494 127.427 122.820 0.188 0.000 2.910 344 A HA 0.401 4.752 4.320 0.052 0.000 0.316 344 A C -0.102 177.578 177.584 0.160 0.000 1.493 344 A CA -0.727 51.401 52.037 0.153 0.000 1.150 344 A CB -0.578 18.361 19.000 -0.103 0.000 1.159 344 A HN 0.758 nan 8.150 nan 0.000 0.526 345 K N 0.911 121.451 120.400 0.234 0.000 2.382 345 K HA 0.389 4.740 4.320 0.052 0.000 0.275 345 K C -0.226 176.495 176.600 0.202 0.000 1.009 345 K CA -0.202 56.184 56.287 0.165 0.000 0.970 345 K CB 0.355 32.919 32.500 0.106 0.000 0.934 345 K HN 0.588 nan 8.250 nan 0.000 0.479 346 L N 1.429 122.720 121.223 0.113 0.000 3.755 346 L HA -0.265 4.107 4.340 0.052 0.000 0.587 346 L C -0.773 176.165 176.870 0.113 0.000 1.235 346 L CA -0.010 54.897 54.840 0.111 0.000 0.876 346 L CB -1.434 40.705 42.059 0.133 0.000 1.431 346 L HN 0.768 nan 8.230 nan 0.000 0.840 347 C N 1.417 120.669 119.300 -0.080 0.000 3.006 347 C HA 0.850 5.341 4.460 0.052 0.000 0.359 347 C C -0.144 174.629 174.990 -0.362 0.000 1.103 347 C CA 0.041 58.848 59.018 -0.352 0.000 1.286 347 C CB 1.507 28.856 27.740 -0.651 0.000 1.694 347 C HN 0.497 nan 8.230 nan 0.000 0.511 348 V N 3.017 122.654 119.914 -0.462 0.000 3.001 348 V HA 0.887 5.038 4.120 0.052 0.000 0.314 348 V C -2.830 173.059 176.094 -0.341 0.000 1.099 348 V CA -2.025 60.056 62.300 -0.365 0.000 0.989 348 V CB 2.018 33.639 31.823 -0.335 0.000 1.040 348 V HN 0.765 nan 8.190 nan 0.000 0.434 349 P HA 0.445 nan 4.420 nan 0.000 0.293 349 P C -0.562 176.745 177.300 0.011 0.000 1.300 349 P CA -0.047 63.027 63.100 -0.044 0.000 0.792 349 P CB 1.700 33.440 31.700 0.066 0.000 0.925 350 D N 2.078 122.516 120.400 0.064 0.000 2.197 350 D HA -0.008 4.663 4.640 0.052 0.000 0.212 350 D C 0.671 177.039 176.300 0.114 0.000 0.963 350 D CA 1.381 55.449 54.000 0.112 0.000 0.864 350 D CB 0.688 41.586 40.800 0.165 0.000 1.009 350 D HN 0.651 nan 8.370 nan 0.000 0.479 351 E N -0.534 119.745 120.200 0.132 0.000 2.412 351 E HA 0.515 4.896 4.350 0.052 0.000 0.279 351 E C -1.558 175.146 176.600 0.172 0.000 0.984 351 E CA -0.768 55.718 56.400 0.143 0.000 0.788 351 E CB 1.637 31.409 29.700 0.119 0.000 1.277 351 E HN -0.225 nan 8.360 nan 0.000 0.455 352 I N 1.620 122.316 120.570 0.209 0.000 2.410 352 I HA 0.330 4.531 4.170 0.052 0.000 0.286 352 I C -0.579 175.657 176.117 0.197 0.000 1.009 352 I CA -0.293 61.141 61.300 0.224 0.000 1.111 352 I CB 1.560 39.754 38.000 0.323 0.000 1.262 352 I HN 0.389 nan 8.210 nan 0.000 0.443 353 K N 5.002 125.431 120.400 0.050 0.000 2.207 353 K HA 0.454 4.805 4.320 0.052 0.000 0.255 353 K C -0.609 175.802 176.600 -0.316 0.000 0.941 353 K CA -0.893 55.338 56.287 -0.093 0.000 0.825 353 K CB 2.052 34.528 32.500 -0.040 0.000 1.119 353 K HN 0.487 nan 8.250 nan 0.000 0.430 354 Q N 3.772 123.176 119.800 -0.660 0.000 2.314 354 Q HA 0.147 4.518 4.340 0.052 0.000 0.257 354 Q C 0.049 175.864 176.000 -0.308 0.000 0.975 354 Q CA -0.111 55.290 55.803 -0.670 0.000 0.933 354 Q CB 0.613 28.684 28.738 -1.110 0.000 1.195 354 Q HN 0.669 nan 8.270 nan 0.000 0.426 355 L N 2.961 124.064 121.223 -0.199 0.000 2.354 355 L HA 0.278 4.649 4.340 0.052 0.000 0.212 355 L C 0.504 177.312 176.870 -0.104 0.000 1.091 355 L CA 0.498 55.262 54.840 -0.127 0.000 0.828 355 L CB 0.212 42.211 42.059 -0.101 0.000 0.973 355 L HN 0.504 nan 8.230 nan 0.000 0.461 356 K N -0.623 119.712 120.400 -0.109 0.000 2.542 356 K HA 0.404 4.755 4.320 0.052 0.000 0.259 356 K C -1.285 175.273 176.600 -0.071 0.000 0.932 356 K CA -0.448 55.791 56.287 -0.079 0.000 0.820 356 K CB 2.974 35.431 32.500 -0.073 0.000 1.345 356 K HN -0.300 nan 8.250 nan 0.000 0.432 357 V N 3.204 123.091 119.914 -0.045 0.000 3.170 357 V HA 0.350 4.501 4.120 0.052 0.000 0.309 357 V C -0.366 175.702 176.094 -0.044 0.000 1.071 357 V CA -0.563 61.727 62.300 -0.018 0.000 1.063 357 V CB 1.755 33.583 31.823 0.009 0.000 1.123 357 V HN 0.564 nan 8.190 nan 0.000 0.464 358 V N 3.118 123.013 119.914 -0.032 0.000 2.555 358 V HA 0.171 4.322 4.120 0.052 0.000 0.286 358 V C 0.020 176.066 176.094 -0.079 0.000 1.044 358 V CA -0.233 62.007 62.300 -0.100 0.000 1.026 358 V CB 1.189 32.979 31.823 -0.055 0.000 0.981 358 V HN 0.872 nan 8.190 nan 0.000 0.480 359 D N 3.413 123.738 120.400 -0.126 0.000 2.456 359 D HA 0.250 4.921 4.640 0.052 0.000 0.219 359 D C 1.059 177.337 176.300 -0.036 0.000 1.126 359 D CA -0.044 53.916 54.000 -0.066 0.000 0.890 359 D CB 1.389 42.150 40.800 -0.066 0.000 1.025 359 D HN 0.609 nan 8.370 nan 0.000 0.511 360 T N 2.437 116.998 114.554 0.011 0.000 2.698 360 T HA -0.121 4.260 4.350 0.052 0.000 0.260 360 T C 1.459 176.191 174.700 0.053 0.000 1.044 360 T CA 0.737 62.870 62.100 0.055 0.000 1.149 360 T CB -0.037 68.873 68.868 0.070 0.000 0.864 360 T HN 0.481 nan 8.240 nan 0.000 0.419 361 E N 1.293 121.516 120.200 0.038 0.000 2.339 361 E HA -0.142 4.240 4.350 0.052 0.000 0.201 361 E C 1.396 178.017 176.600 0.035 0.000 1.015 361 E CA 0.705 57.126 56.400 0.035 0.000 0.841 361 E CB -0.103 29.613 29.700 0.026 0.000 0.754 361 E HN 0.423 nan 8.360 nan 0.000 0.508 362 N N 0.165 118.882 118.700 0.029 0.000 2.181 362 N HA -0.031 4.740 4.740 0.052 0.000 0.207 362 N C -0.283 175.255 175.510 0.047 0.000 1.182 362 N CA 0.015 53.083 53.050 0.029 0.000 0.893 362 N CB 0.588 39.081 38.487 0.010 0.000 1.032 362 N HN 0.010 nan 8.380 nan 0.000 0.513 363 N N 1.386 120.123 118.700 0.062 0.000 2.726 363 N HA -0.172 4.599 4.740 0.052 0.000 0.253 363 N C -1.409 174.152 175.510 0.086 0.000 1.059 363 N CA 0.885 54.010 53.050 0.125 0.000 0.701 363 N CB -0.964 37.623 38.487 0.168 0.000 0.899 363 N HN 0.266 nan 8.380 nan 0.000 0.548 364 K N 0.052 120.395 120.400 -0.095 0.000 2.498 364 K HA 0.492 4.843 4.320 0.052 0.000 0.254 364 K C -2.581 173.691 176.600 -0.547 0.000 0.933 364 K CA -1.789 54.375 56.287 -0.204 0.000 0.806 364 K CB 2.482 34.930 32.500 -0.087 0.000 1.301 364 K HN -0.005 nan 8.250 nan 0.000 0.432 365 P HA 0.040 nan 4.420 nan 0.000 0.274 365 P C -0.052 177.056 177.300 -0.320 0.000 1.256 365 P CA -0.182 62.493 63.100 -0.709 0.000 0.795 365 P CB 0.603 32.084 31.700 -0.365 0.000 1.038 366 G N 0.430 109.097 108.800 -0.222 0.000 2.489 366 G HA2 0.420 4.411 3.960 0.052 0.000 0.271 366 G HA3 0.420 4.411 3.960 0.052 0.000 0.271 366 G C -0.892 173.953 174.900 -0.093 0.000 1.427 366 G CA -0.357 44.669 45.100 -0.123 0.000 1.057 366 G HN 0.425 nan 8.290 nan 0.000 0.532 367 L N -0.544 120.632 121.223 -0.079 0.000 2.381 367 L HA 0.635 5.006 4.340 0.052 0.000 0.268 367 L C -1.002 175.823 176.870 -0.075 0.000 0.997 367 L CA -0.485 54.314 54.840 -0.068 0.000 0.818 367 L CB 1.748 43.761 42.059 -0.076 0.000 1.310 367 L HN 0.263 nan 8.230 nan 0.000 0.416 368 L N 2.879 124.076 121.223 -0.044 0.000 2.388 368 L HA 0.599 4.970 4.340 0.052 0.000 0.264 368 L C -0.707 176.159 176.870 -0.007 0.000 0.998 368 L CA -0.391 54.422 54.840 -0.045 0.000 0.817 368 L CB 2.125 44.189 42.059 0.009 0.000 1.338 368 L HN 0.384 nan 8.230 nan 0.000 0.414 369 L N 2.462 123.671 121.223 -0.023 0.000 2.307 369 L HA 0.727 5.098 4.340 0.052 0.000 0.284 369 L C -1.038 175.878 176.870 0.077 0.000 1.023 369 L CA -0.309 54.533 54.840 0.005 0.000 0.810 369 L CB 1.793 43.829 42.059 -0.038 0.000 1.231 369 L HN 0.309 nan 8.230 nan 0.000 0.423 370 V N 5.298 125.300 119.914 0.147 0.000 2.334 370 V HA 0.419 4.570 4.120 0.052 0.000 0.281 370 V C -0.176 176.042 176.094 0.207 0.000 1.016 370 V CA -0.717 61.719 62.300 0.227 0.000 0.832 370 V CB 1.186 33.235 31.823 0.377 0.000 0.999 370 V HN 0.672 nan 8.190 nan 0.000 0.439 371 K N 3.417 123.923 120.400 0.177 0.000 2.211 371 K HA 0.768 5.119 4.320 0.052 0.000 0.275 371 K C 0.290 177.022 176.600 0.221 0.000 1.024 371 K CA -0.169 56.219 56.287 0.169 0.000 0.887 371 K CB 1.934 34.500 32.500 0.111 0.000 1.084 371 K HN 0.875 nan 8.250 nan 0.000 0.463 372 G N 1.329 110.298 108.800 0.281 0.000 2.649 372 G HA2 0.398 4.390 3.960 0.052 0.000 0.290 372 G HA3 0.398 4.390 3.960 0.052 0.000 0.290 372 G C -1.890 173.108 174.900 0.162 0.000 1.426 372 G CA -0.759 44.432 45.100 0.153 0.000 0.794 372 G HN 0.763 nan 8.290 nan 0.000 0.483 373 H N -1.857 117.216 119.070 0.005 0.000 2.679 373 H HA 0.768 5.355 4.556 0.052 0.000 0.367 373 H C -1.336 173.927 175.328 -0.109 0.000 1.162 373 H CA -1.069 54.987 56.048 0.014 0.000 1.181 373 H CB 1.346 31.143 29.762 0.058 0.000 1.693 373 H HN 0.456 nan 8.280 nan 0.000 0.538 374 Y N 0.421 120.829 120.300 0.180 0.000 2.289 374 Y HA 0.128 4.710 4.550 0.053 0.000 0.332 374 Y C 1.996 178.011 175.900 0.192 0.000 1.324 374 Y CA -0.061 58.102 58.100 0.105 0.000 1.478 374 Y CB 0.912 39.431 38.460 0.098 0.000 1.378 374 Y HN 0.847 nan 8.280 nan 0.000 0.558 375 T N 0.138 114.877 114.554 0.309 0.000 2.788 375 T HA -0.168 4.213 4.350 0.052 0.000 0.268 375 T C 0.925 175.733 174.700 0.179 0.000 1.044 375 T CA 1.807 64.034 62.100 0.212 0.000 1.139 375 T CB -0.396 68.556 68.868 0.140 0.000 0.867 375 T HN 0.708 nan 8.240 nan 0.000 0.454 376 D N 0.060 120.561 120.400 0.169 0.000 2.336 376 D HA 0.236 4.907 4.640 0.052 0.000 0.229 376 D C 1.415 177.783 176.300 0.114 0.000 1.061 376 D CA 0.689 54.755 54.000 0.109 0.000 0.875 376 D CB -0.665 40.176 40.800 0.068 0.000 0.904 376 D HN 0.439 nan 8.370 nan 0.000 0.525 377 G N -0.220 108.679 108.800 0.165 0.000 2.195 377 G HA2 -0.300 3.691 3.960 0.052 0.000 0.246 377 G HA3 -0.300 3.691 3.960 0.052 0.000 0.246 377 G C 0.387 175.388 174.900 0.168 0.000 0.984 377 G CA 0.028 45.199 45.100 0.119 0.000 0.633 377 G HN 0.431 nan 8.290 nan 0.000 0.525 378 K N 1.075 121.610 120.400 0.225 0.000 2.485 378 K HA 0.191 4.542 4.320 0.052 0.000 0.277 378 K C 0.716 177.523 176.600 0.344 0.000 0.990 378 K CA 0.077 56.516 56.287 0.253 0.000 0.994 378 K CB 0.341 32.982 32.500 0.235 0.000 0.906 378 K HN 0.111 nan 8.250 nan 0.000 0.488 379 K N 2.295 122.853 120.400 0.263 0.000 2.219 379 K HA 0.166 4.517 4.320 0.052 0.000 0.258 379 K C -0.119 176.683 176.600 0.337 0.000 1.008 379 K CA -0.130 56.308 56.287 0.251 0.000 0.928 379 K CB 0.267 32.857 32.500 0.150 0.000 0.983 379 K HN 0.475 nan 8.250 nan 0.000 0.484 380 F N 0.455 120.457 119.950 0.086 0.000 2.539 380 F HA 0.293 4.851 4.527 0.052 0.000 0.318 380 F C -0.821 175.003 175.800 0.041 0.000 1.135 380 F CA -0.497 57.527 58.000 0.041 0.000 0.915 380 F CB 1.735 40.638 39.000 -0.162 0.000 1.176 380 F HN 0.524 nan 8.300 nan 0.000 0.440 381 E N 5.128 124.918 120.200 -0.684 0.000 2.334 381 E HA 0.286 4.667 4.350 0.052 0.000 0.280 381 E C -1.670 174.577 176.600 -0.588 0.000 0.899 381 E CA -0.371 55.740 56.400 -0.482 0.000 0.813 381 E CB 1.398 30.983 29.700 -0.192 0.000 1.318 381 E HN 0.785 nan 8.360 nan 0.000 0.399 382 E N 2.257 122.136 120.200 -0.536 0.000 2.390 382 E HA 0.192 4.574 4.350 0.052 0.000 0.277 382 E C -1.519 174.868 176.600 -0.356 0.000 0.939 382 E CA -0.935 55.187 56.400 -0.463 0.000 0.769 382 E CB 1.672 31.017 29.700 -0.593 0.000 1.251 382 E HN 0.386 nan 8.360 nan 0.000 0.450 383 E N 1.599 121.526 120.200 -0.454 0.000 2.200 383 E HA 0.453 4.834 4.350 0.052 0.000 0.283 383 E C -1.093 175.172 176.600 -0.557 0.000 1.015 383 E CA -0.116 56.080 56.400 -0.339 0.000 0.819 383 E CB 0.446 30.006 29.700 -0.232 0.000 1.081 383 E HN 0.186 nan 8.360 nan 0.000 0.397 384 F N 0.931 120.837 119.950 -0.073 0.000 2.551 384 F HA 0.308 4.867 4.527 0.054 0.000 0.316 384 F C 1.345 177.091 175.800 -0.089 0.000 1.089 384 F CA -0.813 57.140 58.000 -0.078 0.000 0.915 384 F CB 2.111 41.063 39.000 -0.079 0.000 1.186 384 F HN 0.466 nan 8.300 nan 0.000 0.456 385 E N 0.330 120.582 120.200 0.086 0.000 2.106 385 E HA -0.016 4.365 4.350 0.052 0.000 0.192 385 E C -0.133 176.463 176.600 -0.006 0.000 0.984 385 E CA 1.038 57.439 56.400 0.001 0.000 0.806 385 E CB 0.269 29.947 29.700 -0.037 0.000 0.750 385 E HN 0.482 nan 8.360 nan 0.000 0.458 386 T N 0.130 114.672 114.554 -0.020 0.000 2.886 386 T HA 0.430 4.811 4.350 0.052 0.000 0.292 386 T C -0.984 173.619 174.700 -0.162 0.000 1.012 386 T CA -0.655 61.398 62.100 -0.078 0.000 0.982 386 T CB 2.424 71.206 68.868 -0.142 0.000 1.018 386 T HN -0.255 nan 8.240 nan 0.000 0.451 387 V N 4.160 123.949 119.914 -0.208 0.000 2.378 387 V HA 0.505 4.656 4.120 0.052 0.000 0.288 387 V C -0.370 175.407 176.094 -0.528 0.000 1.016 387 V CA -0.724 61.328 62.300 -0.414 0.000 0.840 387 V CB 1.088 32.660 31.823 -0.418 0.000 0.994 387 V HN 0.770 nan 8.190 nan 0.000 0.431 388 I N 4.820 125.059 120.570 -0.551 0.000 2.377 388 I HA 0.440 4.641 4.170 0.052 0.000 0.293 388 I C -0.881 174.924 176.117 -0.519 0.000 0.987 388 I CA -0.349 60.676 61.300 -0.458 0.000 1.185 388 I CB 1.630 39.427 38.000 -0.339 0.000 1.341 388 I HN 0.407 nan 8.210 nan 0.000 0.455 389 F N 5.120 124.926 119.950 -0.241 0.000 2.309 389 F HA 0.413 4.973 4.527 0.055 0.000 0.366 389 F C 0.672 176.327 175.800 -0.243 0.000 1.104 389 F CA -0.646 57.196 58.000 -0.263 0.000 1.179 389 F CB 1.113 39.879 39.000 -0.391 0.000 1.437 389 F HN 0.452 nan 8.300 nan 0.000 0.528 390 A N 3.054 125.858 122.820 -0.026 0.000 3.173 390 A HA 0.532 4.883 4.320 0.052 0.000 0.304 390 A C -0.021 177.546 177.584 -0.028 0.000 1.318 390 A CA -0.339 51.664 52.037 -0.057 0.000 1.069 390 A CB -0.506 18.436 19.000 -0.095 0.000 1.147 390 A HN 0.520 nan 8.150 nan 0.000 0.547 391 V N -0.721 119.184 119.914 -0.016 0.000 2.611 391 V HA 0.678 4.829 4.120 0.052 0.000 0.286 391 V C 0.455 176.542 176.094 -0.012 0.000 1.118 391 V CA -0.038 62.257 62.300 -0.009 0.000 1.334 391 V CB -0.990 30.830 31.823 -0.005 0.000 1.555 391 V HN 1.845 nan 8.190 nan 0.000 0.594 392 G N 2.240 111.037 108.800 -0.005 0.000 2.814 392 G HA2 -0.135 3.856 3.960 0.052 0.000 0.677 392 G HA3 -0.135 3.856 3.960 0.052 0.000 0.677 392 G C -0.512 174.394 174.900 0.009 0.000 1.429 392 G CA -0.281 44.826 45.100 0.012 0.000 0.868 392 G HN 0.898 nan 8.290 nan 0.000 0.553 393 R N 0.143 120.661 120.500 0.029 0.000 2.888 393 R HA 0.732 5.103 4.340 0.052 0.000 0.266 393 R C -0.235 176.090 176.300 0.043 0.000 1.020 393 R CA -0.607 55.516 56.100 0.038 0.000 0.963 393 R CB 2.032 32.362 30.300 0.050 0.000 1.197 393 R HN 0.901 nan 8.270 nan 0.000 0.481 394 E N 0.648 120.876 120.200 0.047 0.000 2.343 394 E HA 0.441 4.822 4.350 0.052 0.000 0.278 394 E C -2.892 173.736 176.600 0.047 0.000 0.910 394 E CA -2.416 54.010 56.400 0.042 0.000 0.757 394 E CB 2.575 32.297 29.700 0.037 0.000 1.218 394 E HN 0.187 nan 8.360 nan 0.000 0.435 395 P HA 0.111 nan 4.420 nan 0.000 0.285 395 P C -1.006 176.316 177.300 0.037 0.000 1.259 395 P CA -0.425 62.700 63.100 0.041 0.000 0.794 395 P CB 0.737 32.457 31.700 0.033 0.000 0.940 396 Q N 2.446 122.271 119.800 0.042 0.000 2.842 396 Q HA 0.299 4.670 4.340 0.052 0.000 0.323 396 Q C 0.805 176.825 176.000 0.035 0.000 1.111 396 Q CA -0.206 55.620 55.803 0.038 0.000 1.047 396 Q CB 0.279 29.044 28.738 0.044 0.000 1.280 396 Q HN 0.409 nan 8.270 nan 0.000 0.475 397 L N 0.056 121.296 121.223 0.027 0.000 2.552 397 L HA -0.078 4.293 4.340 0.052 0.000 0.227 397 L C 1.841 178.722 176.870 0.018 0.000 1.146 397 L CA 0.679 55.533 54.840 0.023 0.000 0.858 397 L CB -0.018 42.052 42.059 0.018 0.000 0.969 397 L HN 0.481 nan 8.230 nan 0.000 0.451 398 S N -1.254 114.456 115.700 0.016 0.000 2.607 398 S HA -0.060 4.441 4.470 0.052 0.000 0.224 398 S C 1.602 176.209 174.600 0.012 0.000 0.969 398 S CA 0.293 58.500 58.200 0.011 0.000 0.927 398 S CB -0.122 63.084 63.200 0.009 0.000 0.772 398 S HN 0.419 nan 8.310 nan 0.000 0.533 399 K N 0.376 120.788 120.400 0.020 0.000 2.356 399 K HA 0.261 4.612 4.320 0.052 0.000 0.195 399 K C 1.020 177.632 176.600 0.019 0.000 1.037 399 K CA 0.394 56.695 56.287 0.023 0.000 1.014 399 K CB 0.358 32.883 32.500 0.042 0.000 0.815 399 K HN 0.275 nan 8.250 nan 0.000 0.507 400 V N 0.286 120.212 119.914 0.020 0.000 3.484 400 V HA 0.127 4.278 4.120 0.052 0.000 0.252 400 V C -0.196 175.904 176.094 0.010 0.000 1.282 400 V CA 0.169 62.480 62.300 0.018 0.000 1.104 400 V CB 0.421 32.260 31.823 0.027 0.000 0.868 400 V HN 0.051 nan 8.190 nan 0.000 0.457 401 L N 0.249 121.477 121.223 0.008 0.000 2.333 401 L HA 0.470 4.841 4.340 0.052 0.000 0.280 401 L C -0.415 176.457 176.870 0.002 0.000 1.004 401 L CA -0.196 54.646 54.840 0.003 0.000 0.820 401 L CB 1.141 43.201 42.059 0.002 0.000 1.247 401 L HN 0.114 nan 8.230 nan 0.000 0.416 402 C N 2.782 122.082 119.300 0.001 0.000 2.576 402 C HA 0.106 4.597 4.460 0.052 0.000 0.401 402 C C 1.889 176.879 174.990 0.000 0.000 1.314 402 C CA -0.451 58.568 59.018 0.001 0.000 1.855 402 C CB -0.247 27.495 27.740 0.002 0.000 2.537 402 C HN 0.894 nan 8.230 nan 0.000 0.578 403 E N 1.014 121.214 120.200 -0.000 0.000 2.209 403 E HA -0.200 4.181 4.350 0.052 0.000 0.196 403 E C 1.891 178.490 176.600 -0.001 0.000 0.993 403 E CA 1.791 58.190 56.400 -0.001 0.000 0.819 403 E CB -0.018 29.681 29.700 -0.001 0.000 0.745 403 E HN 0.952 nan 8.360 nan 0.000 0.477 404 T N -1.847 112.708 114.554 0.001 0.000 3.163 404 T HA -0.011 4.370 4.350 0.052 0.000 0.260 404 T C 1.750 176.452 174.700 0.004 0.000 1.156 404 T CA 0.423 62.525 62.100 0.003 0.000 1.072 404 T CB -0.003 68.869 68.868 0.006 0.000 0.937 404 T HN -0.039 nan 8.240 nan 0.000 0.528 405 V N 0.625 120.539 119.914 0.001 0.000 2.788 405 V HA 0.327 4.478 4.120 0.052 0.000 0.251 405 V C 1.894 177.983 176.094 -0.009 0.000 1.068 405 V CA 0.489 62.788 62.300 -0.003 0.000 1.090 405 V CB -1.391 30.428 31.823 -0.007 0.000 0.710 405 V HN 0.762 nan 8.190 nan 0.000 0.467 406 G N 1.334 110.129 108.800 -0.009 0.000 2.385 406 G HA2 -0.176 3.815 3.960 0.052 0.000 0.294 406 G HA3 -0.176 3.815 3.960 0.052 0.000 0.294 406 G C -0.267 174.621 174.900 -0.021 0.000 1.070 406 G CA 0.170 45.263 45.100 -0.012 0.000 1.172 406 G HN 0.437 nan 8.290 nan 0.000 0.516 407 V N 1.413 121.314 119.914 -0.021 0.000 2.350 407 V HA 0.352 4.503 4.120 0.052 0.000 0.276 407 V C 0.926 177.008 176.094 -0.021 0.000 1.028 407 V CA -0.801 61.482 62.300 -0.028 0.000 0.860 407 V CB 1.601 33.407 31.823 -0.029 0.000 0.990 407 V HN 0.551 nan 8.190 nan 0.000 0.453 408 K N 5.051 125.437 120.400 -0.025 0.000 2.416 408 K HA 0.361 4.713 4.320 0.052 0.000 0.283 408 K C -0.811 175.779 176.600 -0.017 0.000 1.037 408 K CA -0.048 56.227 56.287 -0.020 0.000 0.995 408 K CB 0.296 32.783 32.500 -0.022 0.000 0.938 408 K HN 0.576 nan 8.250 nan 0.000 0.475 409 L N 3.745 124.961 121.223 -0.012 0.000 2.334 409 L HA 0.316 4.687 4.340 0.052 0.000 0.273 409 L C 0.264 177.129 176.870 -0.010 0.000 1.013 409 L CA -1.206 53.628 54.840 -0.009 0.000 0.816 409 L CB 1.513 43.569 42.059 -0.005 0.000 1.278 409 L HN 0.817 nan 8.230 nan 0.000 0.431 410 D N 0.916 121.310 120.400 -0.010 0.000 2.440 410 D HA 0.028 4.699 4.640 0.052 0.000 0.269 410 D C 0.819 177.115 176.300 -0.007 0.000 1.249 410 D CA -0.535 53.459 54.000 -0.010 0.000 1.055 410 D CB 0.606 41.397 40.800 -0.014 0.000 1.104 410 D HN 0.422 nan 8.370 nan 0.000 0.561 411 K N -0.857 119.539 120.400 -0.007 0.000 2.173 411 K HA -0.230 4.121 4.320 0.052 0.000 0.207 411 K C -0.002 176.597 176.600 -0.001 0.000 1.046 411 K CA 1.718 58.002 56.287 -0.004 0.000 0.929 411 K CB -0.340 32.157 32.500 -0.004 0.000 0.720 411 K HN 0.587 nan 8.250 nan 0.000 0.453 412 N N -1.473 117.227 118.700 -0.000 0.000 2.599 412 N HA 0.198 4.969 4.740 0.052 0.000 0.309 412 N C -0.074 175.440 175.510 0.005 0.000 1.743 412 N CA 0.105 53.158 53.050 0.004 0.000 0.918 412 N CB 0.908 39.399 38.487 0.006 0.000 1.339 412 N HN 0.168 nan 8.380 nan 0.000 0.493 413 G N 0.574 109.376 108.800 0.004 0.000 2.160 413 G HA2 -0.321 3.670 3.960 0.052 0.000 0.251 413 G HA3 -0.321 3.670 3.960 0.052 0.000 0.251 413 G C -0.416 174.488 174.900 0.006 0.000 1.008 413 G CA -0.180 44.923 45.100 0.006 0.000 0.724 413 G HN 0.501 nan 8.290 nan 0.000 0.514 414 R N -0.417 120.084 120.500 0.001 0.000 2.514 414 R HA 0.502 4.873 4.340 0.052 0.000 0.301 414 R C 0.312 176.607 176.300 -0.007 0.000 0.962 414 R CA -0.956 55.144 56.100 -0.001 0.000 0.882 414 R CB 2.115 32.413 30.300 -0.004 0.000 1.143 414 R HN 0.087 nan 8.270 nan 0.000 0.452 415 V N 3.663 123.574 119.914 -0.005 0.000 2.506 415 V HA -0.052 4.099 4.120 0.052 0.000 0.296 415 V C 0.554 176.636 176.094 -0.020 0.000 1.004 415 V CA 0.253 62.547 62.300 -0.010 0.000 1.150 415 V CB 0.287 32.108 31.823 -0.003 0.000 0.911 415 V HN 0.418 nan 8.190 nan 0.000 0.476 416 V N 5.657 125.557 119.914 -0.024 0.000 2.455 416 V HA 0.234 4.385 4.120 0.052 0.000 0.273 416 V C 0.292 176.366 176.094 -0.032 0.000 1.045 416 V CA -0.215 62.068 62.300 -0.029 0.000 0.976 416 V CB 0.623 32.431 31.823 -0.026 0.000 0.993 416 V HN 1.041 nan 8.190 nan 0.000 0.475 417 C N 3.613 122.894 119.300 -0.032 0.000 2.634 417 C HA 0.695 5.186 4.460 0.052 0.000 0.313 417 C C 1.005 175.986 174.990 -0.015 0.000 1.198 417 C CA -0.722 58.281 59.018 -0.025 0.000 1.605 417 C CB 1.595 29.331 27.740 -0.007 0.000 2.196 417 C HN 0.975 nan 8.230 nan 0.000 0.486 418 T N -1.260 113.290 114.554 -0.008 0.000 2.681 418 T HA 0.084 4.465 4.350 0.052 0.000 0.333 418 T C 0.647 175.371 174.700 0.040 0.000 1.049 418 T CA 0.052 62.159 62.100 0.011 0.000 1.002 418 T CB 0.362 69.238 68.868 0.013 0.000 1.161 418 T HN 0.695 nan 8.240 nan 0.000 0.519 419 D N 0.674 121.116 120.400 0.070 0.000 2.363 419 D HA -0.025 4.646 4.640 0.052 0.000 0.220 419 D C 0.711 177.109 176.300 0.162 0.000 0.994 419 D CA 0.605 54.676 54.000 0.117 0.000 0.890 419 D CB -0.128 40.739 40.800 0.112 0.000 0.906 419 D HN 0.741 nan 8.370 nan 0.000 0.530 420 D N 0.421 120.912 120.400 0.152 0.000 2.427 420 D HA 0.024 4.695 4.640 0.052 0.000 0.224 420 D C 0.095 176.560 176.300 0.275 0.000 1.157 420 D CA -0.212 53.906 54.000 0.197 0.000 0.828 420 D CB 0.093 41.009 40.800 0.193 0.000 0.974 420 D HN -0.215 nan 8.370 nan 0.000 0.498 421 E N -0.937 119.401 120.200 0.230 0.000 2.883 421 E HA -0.281 4.100 4.350 0.052 0.000 0.271 421 E C -0.193 176.572 176.600 0.276 0.000 1.049 421 E CA 0.800 57.349 56.400 0.250 0.000 0.817 421 E CB -2.077 27.793 29.700 0.283 0.000 1.407 421 E HN 0.718 nan 8.360 nan 0.000 0.434 422 Q N 0.672 120.529 119.800 0.095 0.000 2.243 422 Q HA 0.437 4.808 4.340 0.052 0.000 0.252 422 Q C 0.465 176.340 176.000 -0.209 0.000 0.909 422 Q CA 0.117 55.744 55.803 -0.293 0.000 0.922 422 Q CB 0.928 29.493 28.738 -0.289 0.000 1.215 422 Q HN 0.275 nan 8.270 nan 0.000 0.427 423 T N -0.430 113.955 114.554 -0.282 0.000 2.814 423 T HA 0.129 4.511 4.350 0.052 0.000 0.284 423 T C 1.301 175.916 174.700 -0.142 0.000 0.998 423 T CA 0.064 62.069 62.100 -0.158 0.000 0.935 423 T CB 0.612 69.401 68.868 -0.131 0.000 1.167 423 T HN 0.778 nan 8.240 nan 0.000 0.545 424 T N -1.978 112.520 114.554 -0.093 0.000 3.051 424 T HA 0.056 4.437 4.350 0.052 0.000 0.269 424 T C 0.649 175.301 174.700 -0.080 0.000 1.127 424 T CA 0.109 62.165 62.100 -0.073 0.000 1.107 424 T CB -0.476 68.364 68.868 -0.047 0.000 0.898 424 T HN 0.398 nan 8.240 nan 0.000 0.517 425 V N 3.159 123.009 119.914 -0.107 0.000 2.328 425 V HA 0.329 4.480 4.120 0.052 0.000 0.278 425 V C 1.573 177.570 176.094 -0.163 0.000 1.021 425 V CA -0.125 62.112 62.300 -0.106 0.000 0.838 425 V CB 1.012 32.780 31.823 -0.092 0.000 0.999 425 V HN 0.575 nan 8.190 nan 0.000 0.447 426 S N 3.870 119.495 115.700 -0.125 0.000 2.440 426 S HA -0.190 4.311 4.470 0.052 0.000 0.238 426 S C 1.364 175.854 174.600 -0.183 0.000 1.010 426 S CA 1.745 59.857 58.200 -0.148 0.000 0.972 426 S CB -0.312 62.854 63.200 -0.056 0.000 0.774 426 S HN 0.902 nan 8.310 nan 0.000 0.501 427 N N 0.626 119.239 118.700 -0.144 0.000 2.236 427 N HA 0.078 4.849 4.740 0.052 0.000 0.196 427 N C -0.247 175.228 175.510 -0.057 0.000 1.114 427 N CA -0.069 52.940 53.050 -0.069 0.000 0.859 427 N CB 0.237 38.646 38.487 -0.129 0.000 0.982 427 N HN 0.345 nan 8.380 nan 0.000 0.493 428 V N 1.498 121.281 119.914 -0.217 0.000 2.483 428 V HA 0.438 4.589 4.120 0.052 0.000 0.295 428 V C -1.077 174.845 176.094 -0.286 0.000 1.035 428 V CA -0.589 61.635 62.300 -0.126 0.000 0.896 428 V CB 0.963 32.716 31.823 -0.117 0.000 0.986 428 V HN 0.064 nan 8.190 nan 0.000 0.447 429 Y N 1.660 121.950 120.300 -0.016 0.000 2.576 429 Y HA 0.812 5.391 4.550 0.049 0.000 0.346 429 Y C 0.142 176.050 175.900 0.014 0.000 1.018 429 Y CA -0.839 57.265 58.100 0.006 0.000 1.050 429 Y CB 2.367 40.839 38.460 0.020 0.000 1.280 429 Y HN 0.696 nan 8.280 nan 0.000 0.474 430 A N 2.644 125.573 122.820 0.181 0.000 2.422 430 A HA 0.873 5.224 4.320 0.052 0.000 0.302 430 A C -1.288 176.367 177.584 0.118 0.000 1.041 430 A CA -0.609 51.495 52.037 0.112 0.000 0.708 430 A CB 0.857 19.891 19.000 0.057 0.000 1.257 430 A HN 0.735 nan 8.150 nan 0.000 0.414 431 I N -0.739 119.892 120.570 0.101 0.000 2.934 431 I HA 0.946 5.147 4.170 0.052 0.000 0.306 431 I C 0.537 176.702 176.117 0.081 0.000 1.110 431 I CA -0.217 61.146 61.300 0.105 0.000 1.019 431 I CB 2.064 40.129 38.000 0.109 0.000 1.227 431 I HN 1.831 nan 8.210 nan 0.000 0.434 432 G N 3.241 112.095 108.800 0.091 0.000 2.498 432 G HA2 -0.251 3.741 3.960 0.052 0.000 0.245 432 G HA3 -0.251 3.741 3.960 0.052 0.000 0.245 432 G C 0.090 175.023 174.900 0.054 0.000 1.204 432 G CA 0.597 45.742 45.100 0.074 0.000 0.933 432 G HN 0.783 nan 8.290 nan 0.000 0.574 433 D N 0.617 121.048 120.400 0.052 0.000 2.263 433 D HA -0.049 4.622 4.640 0.052 0.000 0.208 433 D C 2.496 178.816 176.300 0.032 0.000 0.971 433 D CA 1.607 55.635 54.000 0.047 0.000 0.867 433 D CB -0.182 40.654 40.800 0.060 0.000 0.929 433 D HN 0.697 nan 8.370 nan 0.000 0.492 434 I N -2.200 118.389 120.570 0.031 0.000 3.030 434 I HA 0.045 4.246 4.170 0.052 0.000 0.270 434 I C 0.725 176.846 176.117 0.006 0.000 1.211 434 I CA -0.090 61.224 61.300 0.023 0.000 1.479 434 I CB -0.210 37.808 38.000 0.030 0.000 1.105 434 I HN -0.264 nan 8.210 nan 0.000 0.447 435 N N 3.454 122.154 118.700 -0.000 0.000 2.416 435 N HA 0.118 4.889 4.740 0.052 0.000 0.271 435 N C 0.087 175.555 175.510 -0.070 0.000 1.245 435 N CA 0.423 53.455 53.050 -0.031 0.000 0.940 435 N CB 0.637 39.104 38.487 -0.033 0.000 1.175 435 N HN 0.425 nan 8.380 nan 0.000 0.483 436 A N 2.861 125.647 122.820 -0.058 0.000 2.587 436 A HA 0.376 4.727 4.320 0.052 0.000 0.235 436 A C 1.548 179.072 177.584 -0.101 0.000 1.044 436 A CA 0.654 52.654 52.037 -0.062 0.000 0.754 436 A CB -0.557 18.416 19.000 -0.046 0.000 0.968 436 A HN 1.286 nan 8.150 nan 0.000 0.509 437 G N 1.288 110.035 108.800 -0.088 0.000 2.184 437 G HA2 -0.232 3.759 3.960 0.052 0.000 0.264 437 G HA3 -0.232 3.759 3.960 0.052 0.000 0.264 437 G C 0.281 175.088 174.900 -0.156 0.000 0.975 437 G CA 0.763 45.800 45.100 -0.104 0.000 0.642 437 G HN 0.794 nan 8.290 nan 0.000 0.536 438 K N 1.296 121.572 120.400 -0.207 0.000 2.144 438 K HA 0.488 4.839 4.320 0.052 0.000 0.270 438 K C -2.176 174.371 176.600 -0.089 0.000 1.005 438 K CA -2.249 53.875 56.287 -0.272 0.000 0.932 438 K CB 0.933 33.157 32.500 -0.460 0.000 1.021 438 K HN 0.162 nan 8.250 nan 0.000 0.462 439 P HA 0.050 nan 4.420 nan 0.000 0.267 439 P C -0.756 176.564 177.300 0.033 0.000 1.205 439 P CA -0.014 63.089 63.100 0.005 0.000 0.765 439 P CB 0.388 32.100 31.700 0.021 0.000 0.828 440 Q N 2.600 122.420 119.800 0.032 0.000 3.006 440 Q HA 0.347 4.719 4.340 0.052 0.000 0.260 440 Q C -0.276 175.771 176.000 0.078 0.000 1.356 440 Q CA -0.056 55.786 55.803 0.064 0.000 1.070 440 Q CB -0.203 28.587 28.738 0.087 0.000 1.507 440 Q HN 0.443 nan 8.270 nan 0.000 0.568 441 L N -1.092 120.168 121.223 0.062 0.000 2.350 441 L HA 0.398 4.769 4.340 0.052 0.000 0.260 441 L C 1.146 178.046 176.870 0.051 0.000 1.015 441 L CA -0.653 54.219 54.840 0.054 0.000 0.821 441 L CB 1.866 43.937 42.059 0.020 0.000 1.370 441 L HN 0.144 nan 8.230 nan 0.000 0.416 442 T N 0.248 114.831 114.554 0.048 0.000 2.737 442 T HA -0.039 4.342 4.350 0.052 0.000 0.265 442 T C -1.166 173.544 174.700 0.017 0.000 1.038 442 T CA 1.623 63.744 62.100 0.034 0.000 1.144 442 T CB -0.505 68.383 68.868 0.033 0.000 0.866 442 T HN 0.456 nan 8.240 nan 0.000 0.434 443 P HA 0.023 nan 4.420 nan 0.000 0.219 443 P C 1.600 178.878 177.300 -0.038 0.000 1.150 443 P CA 0.471 63.562 63.100 -0.016 0.000 0.814 443 P CB -0.174 31.515 31.700 -0.019 0.000 0.787 444 V N 0.510 120.416 119.914 -0.014 0.000 2.287 444 V HA -0.295 3.856 4.120 0.052 0.000 0.248 444 V C 2.482 178.590 176.094 0.023 0.000 1.053 444 V CA 2.423 64.724 62.300 0.001 0.000 1.027 444 V CB -1.763 30.110 31.823 0.082 0.000 0.646 444 V HN 0.115 nan 8.190 nan 0.000 0.447 445 A N -0.142 122.704 122.820 0.043 0.000 1.877 445 A HA -0.167 4.184 4.320 0.052 0.000 0.216 445 A C 2.189 179.784 177.584 0.018 0.000 1.186 445 A CA 1.972 54.038 52.037 0.048 0.000 0.620 445 A CB -0.579 18.448 19.000 0.045 0.000 0.822 445 A HN 0.492 nan 8.150 nan 0.000 0.443 446 I N -0.778 119.791 120.570 -0.002 0.000 2.118 446 I HA -0.353 3.848 4.170 0.052 0.000 0.241 446 I C 2.831 178.924 176.117 -0.040 0.000 1.070 446 I CA 2.100 63.395 61.300 -0.009 0.000 1.327 446 I CB -0.386 37.610 38.000 -0.006 0.000 1.034 446 I HN 0.465 nan 8.210 nan 0.000 0.405 447 Q N 0.962 120.695 119.800 -0.111 0.000 2.061 447 Q HA -0.214 4.158 4.340 0.052 0.000 0.204 447 Q C 2.212 178.063 176.000 -0.247 0.000 0.984 447 Q CA 2.335 57.975 55.803 -0.270 0.000 0.846 447 Q CB -0.306 28.193 28.738 -0.398 0.000 0.902 447 Q HN 0.506 nan 8.270 nan 0.000 0.421 448 A N -0.083 122.655 122.820 -0.137 0.000 1.892 448 A HA -0.167 4.184 4.320 0.052 0.000 0.218 448 A C 2.294 179.911 177.584 0.056 0.000 1.188 448 A CA 1.918 53.944 52.037 -0.017 0.000 0.631 448 A CB -1.566 17.510 19.000 0.127 0.000 0.822 448 A HN 0.597 nan 8.150 nan 0.000 0.447 449 G N -1.149 107.682 108.800 0.051 0.000 2.402 449 G HA2 -0.186 3.805 3.960 0.052 0.000 0.216 449 G HA3 -0.186 3.805 3.960 0.052 0.000 0.216 449 G C 1.790 176.751 174.900 0.102 0.000 1.162 449 G CA 0.795 45.938 45.100 0.072 0.000 0.777 449 G HN 0.526 nan 8.290 nan 0.000 0.539 450 R N -1.018 119.551 120.500 0.115 0.000 2.075 450 R HA -0.040 4.331 4.340 0.052 0.000 0.232 450 R C 2.312 178.785 176.300 0.289 0.000 1.126 450 R CA 1.093 57.307 56.100 0.190 0.000 0.963 450 R CB -0.418 29.999 30.300 0.195 0.000 0.858 450 R HN 0.381 nan 8.270 nan 0.000 0.435 451 Y N 0.429 120.740 120.300 0.019 0.000 2.421 451 Y HA -0.136 4.445 4.550 0.052 0.000 0.292 451 Y C 1.991 177.891 175.900 0.001 0.000 1.136 451 Y CA 0.445 58.547 58.100 0.003 0.000 1.255 451 Y CB -0.336 38.111 38.460 -0.023 0.000 0.991 451 Y HN 0.047 nan 8.280 nan 0.000 0.552 452 L N -0.234 121.085 121.223 0.159 0.000 2.131 452 L HA 0.078 4.449 4.340 0.052 0.000 0.206 452 L C 2.301 179.178 176.870 0.012 0.000 1.087 452 L CA 1.782 56.649 54.840 0.046 0.000 0.767 452 L CB -0.986 41.084 42.059 0.019 0.000 0.917 452 L HN 0.031 nan 8.230 nan 0.000 0.441 453 A N -0.172 122.708 122.820 0.100 0.000 1.902 453 A HA -0.196 4.155 4.320 0.052 0.000 0.217 453 A C 2.412 180.084 177.584 0.147 0.000 1.181 453 A CA 1.687 53.842 52.037 0.196 0.000 0.623 453 A CB -0.524 18.614 19.000 0.229 0.000 0.818 453 A HN 0.492 nan 8.150 nan 0.000 0.443 454 R N -0.777 119.754 120.500 0.051 0.000 2.092 454 R HA -0.056 4.315 4.340 0.052 0.000 0.231 454 R C 2.421 178.638 176.300 -0.138 0.000 1.119 454 R CA 1.385 57.409 56.100 -0.127 0.000 0.970 454 R CB -0.247 29.967 30.300 -0.143 0.000 0.864 454 R HN 0.488 nan 8.270 nan 0.000 0.440 455 R N 0.293 120.744 120.500 -0.082 0.000 2.090 455 R HA -0.036 4.335 4.340 0.052 0.000 0.228 455 R C 2.274 178.489 176.300 -0.141 0.000 1.110 455 R CA 1.006 57.060 56.100 -0.076 0.000 0.973 455 R CB -0.209 30.069 30.300 -0.037 0.000 0.869 455 R HN 0.194 nan 8.270 nan 0.000 0.440 456 L N -0.908 120.186 121.223 -0.214 0.000 2.049 456 L HA -0.051 4.321 4.340 0.052 0.000 0.203 456 L C 1.135 177.685 176.870 -0.533 0.000 1.074 456 L CA 1.254 55.822 54.840 -0.454 0.000 0.749 456 L CB 0.014 41.667 42.059 -0.676 0.000 0.907 456 L HN 0.094 nan 8.230 nan 0.000 0.439 457 F N -1.466 118.422 119.950 -0.103 0.000 2.668 457 F HA 0.373 4.929 4.527 0.049 0.000 0.301 457 F C 0.924 176.622 175.800 -0.170 0.000 1.106 457 F CA 0.155 58.110 58.000 -0.075 0.000 1.289 457 F CB 0.383 39.399 39.000 0.027 0.000 1.006 457 F HN -0.072 nan 8.300 nan 0.000 0.535 458 A N -0.663 122.061 122.820 -0.160 0.000 2.631 458 A HA 0.511 4.863 4.320 0.052 0.000 0.258 458 A C 1.367 178.819 177.584 -0.221 0.000 1.027 458 A CA 0.202 52.041 52.037 -0.329 0.000 1.015 458 A CB -0.638 17.857 19.000 -0.842 0.000 1.206 458 A HN 0.439 nan 8.150 nan 0.000 0.556 459 G N 0.110 108.813 108.800 -0.162 0.000 2.323 459 G HA2 0.131 4.122 3.960 0.052 0.000 0.292 459 G HA3 0.131 4.122 3.960 0.052 0.000 0.292 459 G C 0.467 175.482 174.900 0.193 0.000 1.040 459 G CA 0.665 45.735 45.100 -0.051 0.000 0.942 459 G HN 1.832 nan 8.290 nan 0.000 0.506 460 A N -0.820 122.029 122.820 0.050 0.000 2.279 460 A HA 0.876 5.227 4.320 0.052 0.000 0.303 460 A C 1.462 179.094 177.584 0.080 0.000 1.108 460 A CA 0.861 52.914 52.037 0.027 0.000 0.830 460 A CB 0.765 19.696 19.000 -0.115 0.000 1.106 460 A HN 1.377 nan 8.150 nan 0.000 0.493 461 T N -1.352 113.204 114.554 0.004 0.000 3.004 461 T HA 0.104 4.485 4.350 0.052 0.000 0.243 461 T C 0.717 175.398 174.700 -0.032 0.000 1.020 461 T CA 0.639 62.737 62.100 -0.005 0.000 1.145 461 T CB -0.659 68.153 68.868 -0.093 0.000 0.876 461 T HN 0.671 nan 8.240 nan 0.000 0.449 462 E N 1.362 121.503 120.200 -0.098 0.000 2.765 462 E HA 0.099 4.480 4.350 0.052 0.000 0.256 462 E C -0.586 176.009 176.600 -0.008 0.000 0.935 462 E CA 0.160 56.498 56.400 -0.103 0.000 0.954 462 E CB -0.111 29.424 29.700 -0.273 0.000 0.908 462 E HN 0.488 nan 8.360 nan 0.000 0.500 463 L N 3.349 124.618 121.223 0.077 0.000 2.387 463 L HA 0.355 4.727 4.340 0.052 0.000 0.266 463 L C 0.457 177.445 176.870 0.195 0.000 1.059 463 L CA -0.962 53.961 54.840 0.139 0.000 0.801 463 L CB 1.568 43.691 42.059 0.106 0.000 1.223 463 L HN 0.467 nan 8.230 nan 0.000 0.456 464 T N 0.415 115.013 114.554 0.074 0.000 2.761 464 T HA 0.046 4.427 4.350 0.052 0.000 0.296 464 T C -0.306 174.158 174.700 -0.392 0.000 0.934 464 T CA -0.181 61.768 62.100 -0.251 0.000 1.091 464 T CB 0.332 68.883 68.868 -0.528 0.000 0.896 464 T HN 0.368 nan 8.240 nan 0.000 0.515 465 D N 2.636 122.860 120.400 -0.294 0.000 2.365 465 D HA 0.089 4.761 4.640 0.052 0.000 0.237 465 D C -0.181 175.977 176.300 -0.237 0.000 1.190 465 D CA -0.376 53.521 54.000 -0.171 0.000 0.867 465 D CB 0.320 41.081 40.800 -0.066 0.000 1.050 465 D HN 0.525 nan 8.370 nan 0.000 0.491 466 Y N 1.377 121.671 120.300 -0.011 0.000 2.495 466 Y HA 0.100 4.681 4.550 0.053 0.000 0.293 466 Y C 1.067 176.955 175.900 -0.021 0.000 1.186 466 Y CA -0.382 57.705 58.100 -0.021 0.000 1.266 466 Y CB 0.020 38.472 38.460 -0.013 0.000 1.101 466 Y HN 0.215 nan 8.280 nan 0.000 0.517 467 S N -0.959 114.796 115.700 0.091 0.000 2.525 467 S HA 0.319 4.820 4.470 0.052 0.000 0.290 467 S C 0.134 174.746 174.600 0.021 0.000 1.152 467 S CA -0.768 57.467 58.200 0.058 0.000 1.072 467 S CB 0.915 64.147 63.200 0.054 0.000 1.027 467 S HN 0.534 nan 8.310 nan 0.000 0.500 468 N N -0.580 118.126 118.700 0.011 0.000 2.735 468 N HA -0.130 4.641 4.740 0.052 0.000 0.248 468 N C -0.807 174.688 175.510 -0.025 0.000 1.083 468 N CA 0.561 53.605 53.050 -0.010 0.000 0.703 468 N CB -1.452 37.032 38.487 -0.007 0.000 1.005 468 N HN 0.512 nan 8.380 nan 0.000 0.550 469 V N 0.676 120.577 119.914 -0.022 0.000 2.439 469 V HA 0.417 4.568 4.120 0.052 0.000 0.271 469 V C 1.091 177.153 176.094 -0.053 0.000 1.040 469 V CA -0.050 62.231 62.300 -0.033 0.000 1.002 469 V CB 0.737 32.552 31.823 -0.015 0.000 1.000 469 V HN 0.377 nan 8.190 nan 0.000 0.477 470 A N 5.133 127.919 122.820 -0.058 0.000 2.386 470 A HA 0.700 5.052 4.320 0.052 0.000 0.248 470 A C 0.588 178.119 177.584 -0.089 0.000 1.082 470 A CA 0.089 52.078 52.037 -0.080 0.000 0.789 470 A CB 0.407 19.366 19.000 -0.068 0.000 1.025 470 A HN 0.963 nan 8.150 nan 0.000 0.490 471 T N -1.613 112.863 114.554 -0.129 0.000 2.901 471 T HA 0.773 5.155 4.350 0.052 0.000 0.293 471 T C -0.568 173.980 174.700 -0.254 0.000 1.084 471 T CA -0.624 61.385 62.100 -0.153 0.000 1.008 471 T CB 1.784 70.584 68.868 -0.114 0.000 1.170 471 T HN 0.552 nan 8.240 nan 0.000 0.509 472 T N 1.449 115.803 114.554 -0.332 0.000 2.937 472 T HA 0.477 4.858 4.350 0.052 0.000 0.297 472 T C -0.421 173.852 174.700 -0.712 0.000 0.991 472 T CA -0.591 61.151 62.100 -0.597 0.000 0.990 472 T CB 1.322 69.709 68.868 -0.801 0.000 0.991 472 T HN 0.680 nan 8.240 nan 0.000 0.440 473 V N 4.215 123.789 119.914 -0.568 0.000 2.455 473 V HA 0.261 4.412 4.120 0.052 0.000 0.273 473 V C -0.141 175.732 176.094 -0.369 0.000 1.045 473 V CA -0.234 61.857 62.300 -0.348 0.000 0.976 473 V CB -0.224 31.446 31.823 -0.255 0.000 0.993 473 V HN 0.826 nan 8.190 nan 0.000 0.475 474 F N 3.576 123.491 119.950 -0.058 0.000 2.752 474 F HA 0.216 4.773 4.527 0.050 0.000 0.332 474 F C 1.459 177.033 175.800 -0.377 0.000 1.188 474 F CA -0.532 57.303 58.000 -0.274 0.000 1.296 474 F CB -0.245 38.556 39.000 -0.332 0.000 1.526 474 F HN 0.573 nan 8.300 nan 0.000 0.576 475 T N -2.592 111.947 114.554 -0.024 0.000 2.816 475 T HA 0.193 4.574 4.350 0.052 0.000 0.282 475 T C -1.534 173.266 174.700 0.166 0.000 0.993 475 T CA -1.793 60.353 62.100 0.077 0.000 0.994 475 T CB 1.122 70.051 68.868 0.101 0.000 1.025 475 T HN -0.053 nan 8.240 nan 0.000 0.529 476 P HA -0.072 nan 4.420 nan 0.000 0.218 476 P C 0.226 177.611 177.300 0.142 0.000 1.154 476 P CA 0.848 64.141 63.100 0.322 0.000 0.872 476 P CB -0.013 31.899 31.700 0.354 0.000 0.790 477 L N -0.237 120.914 121.223 -0.120 0.000 2.298 477 L HA 0.246 4.617 4.340 0.052 0.000 0.284 477 L C 0.043 176.889 176.870 -0.040 0.000 1.013 477 L CA -0.698 53.979 54.840 -0.273 0.000 0.824 477 L CB 0.717 42.231 42.059 -0.908 0.000 1.221 477 L HN -0.159 nan 8.230 nan 0.000 0.418 478 E N 3.198 123.440 120.200 0.070 0.000 2.418 478 E HA 0.047 4.428 4.350 0.052 0.000 0.261 478 E C -1.483 175.173 176.600 0.094 0.000 1.070 478 E CA 0.224 56.662 56.400 0.063 0.000 0.931 478 E CB 0.694 30.460 29.700 0.110 0.000 0.954 478 E HN 0.458 nan 8.360 nan 0.000 0.439 479 Y N 0.776 121.000 120.300 -0.126 0.000 2.327 479 Y HA 0.468 5.049 4.550 0.052 0.000 0.325 479 Y C -0.465 175.374 175.900 -0.102 0.000 0.999 479 Y CA -1.124 56.932 58.100 -0.073 0.000 1.195 479 Y CB 1.131 39.550 38.460 -0.068 0.000 1.132 479 Y HN 0.478 nan 8.280 nan 0.000 0.455 480 G N 3.450 112.192 108.800 -0.097 0.000 2.356 480 G HA2 0.725 4.716 3.960 0.052 0.000 0.322 480 G HA3 0.725 4.716 3.960 0.052 0.000 0.322 480 G C -1.529 173.197 174.900 -0.290 0.000 1.125 480 G CA -0.411 44.541 45.100 -0.247 0.000 0.885 480 G HN 1.029 nan 8.290 nan 0.000 0.467 481 A N 0.356 122.955 122.820 -0.369 0.000 2.455 481 A HA 0.676 5.027 4.320 0.052 0.000 0.300 481 A C -1.032 176.396 177.584 -0.259 0.000 1.040 481 A CA -0.582 51.244 52.037 -0.352 0.000 0.697 481 A CB 1.600 20.386 19.000 -0.358 0.000 1.265 481 A HN 1.501 nan 8.150 nan 0.000 0.407 482 C N 2.006 121.130 119.300 -0.293 0.000 2.607 482 C HA 0.840 5.331 4.460 0.052 0.000 0.350 482 C C 0.572 175.459 174.990 -0.171 0.000 1.101 482 C CA 1.249 60.159 59.018 -0.181 0.000 1.282 482 C CB 0.262 27.930 27.740 -0.120 0.000 1.825 482 C HN 2.868 nan 8.230 nan 0.000 0.460 483 G N 4.677 113.419 108.800 -0.096 0.000 2.548 483 G HA2 -0.056 3.935 3.960 0.052 0.000 0.208 483 G HA3 -0.056 3.935 3.960 0.052 0.000 0.208 483 G C -0.994 173.912 174.900 0.009 0.000 1.308 483 G CA -0.373 44.704 45.100 -0.037 0.000 0.924 483 G HN 1.050 nan 8.290 nan 0.000 0.540 484 L N 1.108 122.376 121.223 0.074 0.000 2.417 484 L HA 0.493 4.864 4.340 0.052 0.000 0.268 484 L C 1.706 178.724 176.870 0.246 0.000 1.158 484 L CA 0.030 54.943 54.840 0.121 0.000 0.819 484 L CB 1.216 43.346 42.059 0.117 0.000 1.112 484 L HN 1.022 nan 8.230 nan 0.000 0.458 485 S N 0.586 116.421 115.700 0.224 0.000 2.584 485 S HA -0.014 4.487 4.470 0.052 0.000 0.270 485 S C 0.927 175.595 174.600 0.112 0.000 1.346 485 S CA -0.292 58.039 58.200 0.217 0.000 1.018 485 S CB 1.100 64.385 63.200 0.142 0.000 0.899 485 S HN 0.788 nan 8.310 nan 0.000 0.542 486 E N 1.118 121.325 120.200 0.012 0.000 2.085 486 E HA -0.235 4.146 4.350 0.052 0.000 0.194 486 E C 2.056 178.667 176.600 0.018 0.000 0.994 486 E CA 1.676 58.083 56.400 0.011 0.000 0.801 486 E CB -0.171 29.506 29.700 -0.037 0.000 0.743 486 E HN 0.882 nan 8.360 nan 0.000 0.453 487 E N 0.605 120.810 120.200 0.009 0.000 2.072 487 E HA -0.223 4.158 4.350 0.052 0.000 0.191 487 E C 1.472 178.073 176.600 0.001 0.000 0.985 487 E CA 1.315 57.716 56.400 0.003 0.000 0.801 487 E CB -0.403 29.299 29.700 0.002 0.000 0.750 487 E HN 0.250 nan 8.360 nan 0.000 0.452 488 D N 1.860 122.267 120.400 0.011 0.000 2.097 488 D HA -0.063 4.608 4.640 0.052 0.000 0.195 488 D C 2.026 178.314 176.300 -0.021 0.000 0.989 488 D CA 2.125 56.121 54.000 -0.007 0.000 0.827 488 D CB -0.432 40.373 40.800 0.010 0.000 0.966 488 D HN 0.346 nan 8.370 nan 0.000 0.456 489 A N 0.357 123.199 122.820 0.036 0.000 1.933 489 A HA -0.139 4.212 4.320 0.052 0.000 0.218 489 A C 2.335 179.950 177.584 0.052 0.000 1.175 489 A CA 0.901 52.990 52.037 0.087 0.000 0.628 489 A CB -0.674 18.413 19.000 0.144 0.000 0.814 489 A HN 0.224 nan 8.150 nan 0.000 0.444 490 I N -1.058 119.525 120.570 0.022 0.000 2.353 490 I HA -0.190 4.011 4.170 0.052 0.000 0.248 490 I C 2.534 178.633 176.117 -0.030 0.000 1.119 490 I CA 1.438 62.745 61.300 0.011 0.000 1.417 490 I CB -0.158 37.844 38.000 0.004 0.000 1.078 490 I HN 0.475 nan 8.210 nan 0.000 0.421 491 E N 0.941 121.104 120.200 -0.061 0.000 2.152 491 E HA -0.201 4.180 4.350 0.052 0.000 0.192 491 E C 2.091 178.592 176.600 -0.166 0.000 0.983 491 E CA 0.908 57.255 56.400 -0.087 0.000 0.818 491 E CB 0.242 29.898 29.700 -0.075 0.000 0.758 491 E HN 0.379 nan 8.360 nan 0.000 0.467 492 K N -0.458 119.760 120.400 -0.303 0.000 2.007 492 K HA -0.120 4.231 4.320 0.052 0.000 0.206 492 K C 0.857 177.056 176.600 -0.667 0.000 1.047 492 K CA 1.296 57.200 56.287 -0.639 0.000 0.937 492 K CB 0.069 31.887 32.500 -1.136 0.000 0.718 492 K HN 0.234 nan 8.250 nan 0.000 0.438 493 Y N -0.050 120.253 120.300 0.004 0.000 2.706 493 Y HA 0.328 4.909 4.550 0.052 0.000 0.255 493 Y C 0.423 176.324 175.900 0.001 0.000 1.163 493 Y CA -0.378 57.724 58.100 0.003 0.000 1.174 493 Y CB 0.775 39.238 38.460 0.005 0.000 1.200 493 Y HN 0.151 nan 8.280 nan 0.000 0.544 494 G N 1.066 109.898 108.800 0.053 0.000 2.785 494 G HA2 -0.345 3.647 3.960 0.052 0.000 0.685 494 G HA3 -0.345 3.647 3.960 0.052 0.000 0.685 494 G C 0.078 175.005 174.900 0.045 0.000 1.480 494 G CA 0.171 45.294 45.100 0.038 0.000 0.915 494 G HN 0.402 nan 8.290 nan 0.000 0.576 495 D N 0.357 120.770 120.400 0.021 0.000 2.117 495 D HA -0.064 4.607 4.640 0.052 0.000 0.197 495 D C 2.335 178.643 176.300 0.013 0.000 0.987 495 D CA 1.963 55.971 54.000 0.013 0.000 0.829 495 D CB -0.006 40.793 40.800 -0.000 0.000 0.961 495 D HN 0.540 nan 8.370 nan 0.000 0.460 496 K N 0.059 120.468 120.400 0.014 0.000 2.288 496 K HA -0.010 4.341 4.320 0.052 0.000 0.201 496 K C 1.507 178.116 176.600 0.015 0.000 1.048 496 K CA 0.912 57.204 56.287 0.009 0.000 0.956 496 K CB -0.068 32.437 32.500 0.008 0.000 0.746 496 K HN 0.098 nan 8.250 nan 0.000 0.461 497 D N 0.077 120.498 120.400 0.034 0.000 2.249 497 D HA -0.012 4.659 4.640 0.052 0.000 0.205 497 D C -0.164 176.160 176.300 0.039 0.000 0.962 497 D CA 0.398 54.423 54.000 0.042 0.000 0.860 497 D CB 0.309 41.156 40.800 0.078 0.000 0.955 497 D HN -0.012 nan 8.370 nan 0.000 0.505 498 I N 1.982 122.578 120.570 0.043 0.000 2.312 498 I HA 0.228 4.430 4.170 0.052 0.000 0.291 498 I C 0.308 176.425 176.117 0.000 0.000 1.031 498 I CA -0.447 60.877 61.300 0.039 0.000 1.293 498 I CB 0.813 38.846 38.000 0.055 0.000 1.403 498 I HN -0.117 nan 8.210 nan 0.000 0.484 499 E N 5.409 125.611 120.200 0.003 0.000 2.191 499 E HA 0.533 4.914 4.350 0.052 0.000 0.278 499 E C -1.284 175.290 176.600 -0.044 0.000 0.972 499 E CA -0.450 55.913 56.400 -0.061 0.000 0.804 499 E CB 1.635 31.308 29.700 -0.045 0.000 1.110 499 E HN 0.319 nan 8.360 nan 0.000 0.394 500 V N 5.505 125.321 119.914 -0.163 0.000 2.376 500 V HA 0.300 4.451 4.120 0.052 0.000 0.287 500 V C -1.117 174.856 176.094 -0.201 0.000 1.015 500 V CA -0.710 61.529 62.300 -0.101 0.000 0.834 500 V CB 0.592 32.339 31.823 -0.127 0.000 1.001 500 V HN 0.636 nan 8.190 nan 0.000 0.428 501 Y N 4.981 125.243 120.300 -0.064 0.000 2.341 501 Y HA 0.596 5.177 4.550 0.052 0.000 0.340 501 Y C 0.768 176.684 175.900 0.026 0.000 0.997 501 Y CA -0.402 57.683 58.100 -0.025 0.000 1.149 501 Y CB 0.825 39.270 38.460 -0.026 0.000 1.171 501 Y HN 0.831 nan 8.280 nan 0.000 0.494 502 H N -0.494 118.576 119.070 0.001 0.000 2.949 502 H HA 0.886 5.473 4.556 0.052 0.000 0.356 502 H C -1.283 173.954 175.328 -0.152 0.000 1.212 502 H CA -1.296 54.678 56.048 -0.123 0.000 1.136 502 H CB 2.366 32.090 29.762 -0.064 0.000 1.869 502 H HN 0.490 nan 8.280 nan 0.000 0.556 503 S N 0.351 115.848 115.700 -0.339 0.000 2.558 503 S HA 0.232 4.733 4.470 0.052 0.000 0.277 503 S C -1.711 172.802 174.600 -0.144 0.000 1.143 503 S CA -0.860 57.178 58.200 -0.268 0.000 0.865 503 S CB 1.313 64.400 63.200 -0.189 0.000 1.102 503 S HN 0.846 nan 8.310 nan 0.000 0.454 504 N N 1.057 119.771 118.700 0.024 0.000 2.463 504 N HA 0.822 5.593 4.740 0.052 0.000 0.270 504 N C -0.757 174.845 175.510 0.153 0.000 1.205 504 N CA -0.197 52.921 53.050 0.114 0.000 0.974 504 N CB 0.664 39.183 38.487 0.053 0.000 1.197 504 N HN 0.522 nan 8.380 nan 0.000 0.504 505 F N -2.082 117.814 119.950 -0.089 0.000 2.741 505 F HA 0.531 5.089 4.527 0.051 0.000 0.311 505 F C -1.444 174.272 175.800 -0.140 0.000 1.149 505 F CA -1.193 56.737 58.000 -0.116 0.000 0.930 505 F CB 1.357 40.260 39.000 -0.162 0.000 1.312 505 F HN 0.144 nan 8.300 nan 0.000 0.450 506 K N 2.313 122.693 120.400 -0.033 0.000 2.507 506 K HA 0.573 4.925 4.320 0.052 0.000 0.252 506 K C -3.057 173.494 176.600 -0.081 0.000 0.943 506 K CA -1.864 54.323 56.287 -0.167 0.000 0.808 506 K CB 2.008 34.507 32.500 -0.003 0.000 1.142 506 K HN 0.448 nan 8.250 nan 0.000 0.426 507 P HA -0.045 nan 4.420 nan 0.000 0.268 507 P C 0.560 177.880 177.300 0.033 0.000 1.204 507 P CA -0.414 62.585 63.100 -0.168 0.000 0.768 507 P CB 0.590 32.001 31.700 -0.482 0.000 0.842 508 L N 3.845 125.121 121.223 0.088 0.000 2.079 508 L HA -0.201 4.170 4.340 0.052 0.000 0.210 508 L C 1.613 178.618 176.870 0.225 0.000 1.081 508 L CA 2.013 56.933 54.840 0.133 0.000 0.752 508 L CB -1.134 40.978 42.059 0.088 0.000 0.896 508 L HN 0.284 nan 8.230 nan 0.000 0.433 509 E N -1.317 119.041 120.200 0.262 0.000 2.333 509 E HA -0.246 4.136 4.350 0.052 0.000 0.200 509 E C 1.636 178.566 176.600 0.551 0.000 1.010 509 E CA 1.477 58.117 56.400 0.400 0.000 0.841 509 E CB -0.358 29.528 29.700 0.311 0.000 0.757 509 E HN 0.608 nan 8.360 nan 0.000 0.508 510 W N 0.190 121.572 121.300 0.137 0.000 2.704 510 W HA 0.049 4.740 4.660 0.051 0.000 0.266 510 W C 2.308 178.825 176.519 -0.003 0.000 1.266 510 W CA 1.227 58.621 57.345 0.082 0.000 1.377 510 W CB -0.897 28.597 29.460 0.058 0.000 1.082 510 W HN 0.151 nan 8.180 nan 0.000 0.608 511 T N -1.829 112.849 114.554 0.207 0.000 2.569 511 T HA -0.236 4.145 4.350 0.052 0.000 0.263 511 T C 1.891 176.450 174.700 -0.236 0.000 1.074 511 T CA 1.981 64.094 62.100 0.022 0.000 1.176 511 T CB -1.137 67.751 68.868 0.034 0.000 0.863 511 T HN -0.109 nan 8.240 nan 0.000 0.410 512 V N 2.498 122.246 119.914 -0.277 0.000 2.453 512 V HA -0.116 4.035 4.120 0.052 0.000 0.252 512 V C 3.121 178.786 176.094 -0.714 0.000 1.068 512 V CA 1.759 63.719 62.300 -0.566 0.000 1.070 512 V CB -1.395 29.973 31.823 -0.758 0.000 0.664 512 V HN 0.784 nan 8.190 nan 0.000 0.461 513 A N -2.183 120.391 122.820 -0.410 0.000 2.235 513 A HA -0.055 4.296 4.320 0.052 0.000 0.208 513 A C 0.890 178.202 177.584 -0.454 0.000 1.172 513 A CA 0.266 52.084 52.037 -0.365 0.000 0.786 513 A CB -0.486 18.518 19.000 0.007 0.000 0.804 513 A HN 0.738 nan 8.150 nan 0.000 0.479 514 H N -0.624 118.278 119.070 -0.278 0.000 2.756 514 H HA -0.133 4.455 4.556 0.052 0.000 0.315 514 H C 0.284 175.520 175.328 -0.152 0.000 1.210 514 H CA 1.244 57.173 56.048 -0.197 0.000 1.150 514 H CB -1.297 28.316 29.762 -0.249 0.000 1.463 514 H HN 0.667 nan 8.280 nan 0.000 0.427 515 R N 0.264 120.729 120.500 -0.058 0.000 2.606 515 R HA 0.327 4.698 4.340 0.052 0.000 0.249 515 R C 0.518 176.872 176.300 0.090 0.000 1.127 515 R CA -0.995 55.029 56.100 -0.126 0.000 1.133 515 R CB 0.894 30.826 30.300 -0.613 0.000 1.243 515 R HN 0.129 nan 8.270 nan 0.000 0.558 516 E N 1.354 121.638 120.200 0.140 0.000 2.467 516 E HA -0.052 4.329 4.350 0.052 0.000 0.264 516 E C -0.633 176.154 176.600 0.313 0.000 1.020 516 E CA 0.745 57.293 56.400 0.246 0.000 0.945 516 E CB 0.311 30.192 29.700 0.302 0.000 0.942 516 E HN 0.230 nan 8.360 nan 0.000 0.449 517 D N 2.046 122.552 120.400 0.176 0.000 2.388 517 D HA 0.116 4.787 4.640 0.052 0.000 0.254 517 D C 0.088 176.434 176.300 0.077 0.000 1.111 517 D CA -0.441 53.629 54.000 0.117 0.000 0.993 517 D CB 0.631 41.478 40.800 0.079 0.000 1.118 517 D HN 0.388 nan 8.370 nan 0.000 0.502 518 N N -0.425 118.284 118.700 0.016 0.000 2.696 518 N HA -0.162 4.609 4.740 0.052 0.000 0.249 518 N C 0.601 176.108 175.510 -0.006 0.000 1.090 518 N CA 0.288 53.333 53.050 -0.008 0.000 0.716 518 N CB -1.225 37.264 38.487 0.003 0.000 1.020 518 N HN 0.187 nan 8.380 nan 0.000 0.548 519 V N -0.881 119.036 119.914 0.005 0.000 3.151 519 V HA 0.064 4.215 4.120 0.052 0.000 0.241 519 V C 1.283 177.326 176.094 -0.085 0.000 1.173 519 V CA 0.548 62.879 62.300 0.052 0.000 1.154 519 V CB 0.683 32.669 31.823 0.271 0.000 0.898 519 V HN 0.445 nan 8.190 nan 0.000 0.473 520 C N 1.110 120.194 119.300 -0.360 0.000 2.644 520 C HA 0.436 4.927 4.460 0.052 0.000 0.417 520 C C -0.188 174.445 174.990 -0.594 0.000 1.304 520 C CA -0.108 58.445 59.018 -0.775 0.000 2.035 520 C CB -0.835 25.895 27.740 -1.684 0.000 2.673 520 C HN 0.531 nan 8.230 nan 0.000 0.602 521 Y N 3.579 123.661 120.300 -0.363 0.000 2.521 521 Y HA 0.645 5.226 4.550 0.051 0.000 0.332 521 Y C -0.664 175.381 175.900 0.240 0.000 1.121 521 Y CA -1.060 57.051 58.100 0.019 0.000 1.037 521 Y CB 0.996 39.423 38.460 -0.055 0.000 1.330 521 Y HN 0.810 nan 8.280 nan 0.000 0.452 522 M N 4.683 123.994 119.600 -0.482 0.000 2.575 522 M HA 0.745 5.257 4.480 0.052 0.000 0.284 522 M C -2.156 173.813 176.300 -0.552 0.000 1.253 522 M CA -0.874 54.177 55.300 -0.415 0.000 0.861 522 M CB 3.158 35.368 32.600 -0.649 0.000 1.733 522 M HN 0.595 nan 8.290 nan 0.000 0.462 523 K N 1.806 122.139 120.400 -0.111 0.000 2.546 523 K HA 0.761 5.112 4.320 0.052 0.000 0.264 523 K C -2.228 174.490 176.600 0.196 0.000 0.937 523 K CA -0.905 55.394 56.287 0.020 0.000 0.833 523 K CB 2.385 34.908 32.500 0.038 0.000 1.378 523 K HN 0.888 nan 8.250 nan 0.000 0.432 524 L N 2.348 123.651 121.223 0.132 0.000 2.322 524 L HA 0.500 4.871 4.340 0.052 0.000 0.281 524 L C -0.901 176.019 176.870 0.084 0.000 1.014 524 L CA -1.391 53.474 54.840 0.041 0.000 0.815 524 L CB 2.102 44.065 42.059 -0.159 0.000 1.247 524 L HN 0.426 nan 8.230 nan 0.000 0.421 525 V N 2.496 122.454 119.914 0.074 0.000 2.328 525 V HA 0.373 4.525 4.120 0.052 0.000 0.278 525 V C -0.152 175.970 176.094 0.047 0.000 1.021 525 V CA -0.381 61.970 62.300 0.085 0.000 0.838 525 V CB 1.276 33.173 31.823 0.124 0.000 0.999 525 V HN 0.857 nan 8.190 nan 0.000 0.447 526 C N 4.171 123.508 119.300 0.062 0.000 2.630 526 C HA 0.720 5.211 4.460 0.052 0.000 0.346 526 C C 0.255 175.261 174.990 0.027 0.000 1.245 526 C CA -1.074 57.962 59.018 0.031 0.000 1.804 526 C CB 1.823 29.598 27.740 0.059 0.000 2.279 526 C HN 0.908 nan 8.230 nan 0.000 0.498 527 R N 0.828 121.315 120.500 -0.023 0.000 2.358 527 R HA 0.235 4.606 4.340 0.052 0.000 0.309 527 R C 1.078 177.355 176.300 -0.038 0.000 1.026 527 R CA -0.305 55.762 56.100 -0.055 0.000 0.909 527 R CB 0.494 30.679 30.300 -0.193 0.000 1.153 527 R HN 0.914 nan 8.270 nan 0.000 0.515 528 K N 1.101 121.500 120.400 -0.001 0.000 2.063 528 K HA -0.163 4.189 4.320 0.052 0.000 0.208 528 K C 1.477 178.072 176.600 -0.009 0.000 1.048 528 K CA 1.917 58.210 56.287 0.010 0.000 0.928 528 K CB -0.190 32.324 32.500 0.025 0.000 0.713 528 K HN 0.520 nan 8.250 nan 0.000 0.442 529 S N 0.996 116.685 115.700 -0.019 0.000 2.462 529 S HA -0.188 4.313 4.470 0.052 0.000 0.243 529 S C 1.120 175.696 174.600 -0.039 0.000 1.003 529 S CA 1.583 59.769 58.200 -0.023 0.000 0.970 529 S CB -0.244 62.944 63.200 -0.020 0.000 0.762 529 S HN 0.349 nan 8.310 nan 0.000 0.510 530 D N 1.051 121.416 120.400 -0.059 0.000 3.008 530 D HA 0.264 4.935 4.640 0.052 0.000 0.312 530 D C -0.158 176.112 176.300 -0.049 0.000 1.361 530 D CA -0.410 53.549 54.000 -0.068 0.000 0.858 530 D CB -1.092 39.636 40.800 -0.121 0.000 1.098 530 D HN 0.181 nan 8.370 nan 0.000 0.482 531 N N 0.397 119.081 118.700 -0.028 0.000 2.863 531 N HA -0.268 4.503 4.740 0.052 0.000 0.245 531 N C 0.234 175.735 175.510 -0.016 0.000 1.001 531 N CA 1.006 54.045 53.050 -0.017 0.000 0.901 531 N CB -1.200 37.275 38.487 -0.020 0.000 1.124 531 N HN 0.396 nan 8.380 nan 0.000 0.582 532 M N -1.756 117.834 119.600 -0.017 0.000 2.575 532 M HA -0.196 4.315 4.480 0.052 0.000 0.212 532 M C -0.096 176.174 176.300 -0.049 0.000 0.479 532 M CA 0.522 55.815 55.300 -0.012 0.000 0.603 532 M CB -0.625 31.978 32.600 0.005 0.000 2.193 532 M HN 0.289 nan 8.290 nan 0.000 0.810 533 R N -0.006 120.459 120.500 -0.060 0.000 2.522 533 R HA 0.429 4.800 4.340 0.052 0.000 0.284 533 R C -0.587 175.664 176.300 -0.082 0.000 1.032 533 R CA 0.082 56.141 56.100 -0.069 0.000 1.049 533 R CB 0.594 30.843 30.300 -0.086 0.000 0.956 533 R HN 0.247 nan 8.270 nan 0.000 0.422 534 V N 8.442 128.297 119.914 -0.100 0.000 2.364 534 V HA -0.016 4.136 4.120 0.052 0.000 0.252 534 V C 1.396 177.445 176.094 -0.075 0.000 1.075 534 V CA 0.251 62.465 62.300 -0.144 0.000 1.033 534 V CB 0.058 31.718 31.823 -0.271 0.000 1.116 534 V HN 0.806 nan 8.190 nan 0.000 0.488 535 L N 3.805 125.004 121.223 -0.040 0.000 2.109 535 L HA 0.244 4.615 4.340 0.052 0.000 0.207 535 L C 1.232 178.113 176.870 0.019 0.000 1.086 535 L CA 1.170 56.016 54.840 0.010 0.000 0.760 535 L CB -0.091 42.008 42.059 0.067 0.000 0.910 535 L HN 0.733 nan 8.230 nan 0.000 0.437 536 G N -0.190 108.618 108.800 0.012 0.000 2.753 536 G HA2 0.531 4.522 3.960 0.052 0.000 0.295 536 G HA3 0.531 4.522 3.960 0.052 0.000 0.295 536 G C -2.006 172.880 174.900 -0.024 0.000 1.437 536 G CA -0.351 44.761 45.100 0.019 0.000 1.094 536 G HN -0.086 nan 8.290 nan 0.000 0.540 537 L N 1.565 122.666 121.223 -0.204 0.000 2.362 537 L HA 0.875 5.246 4.340 0.052 0.000 0.275 537 L C -1.160 175.535 176.870 -0.293 0.000 0.998 537 L CA -0.857 53.862 54.840 -0.202 0.000 0.820 537 L CB 1.693 43.536 42.059 -0.359 0.000 1.270 537 L HN 0.671 nan 8.230 nan 0.000 0.415 538 H N 2.978 122.162 119.070 0.191 0.000 2.771 538 H HA 0.721 5.308 4.556 0.052 0.000 0.361 538 H C -1.368 174.180 175.328 0.366 0.000 1.108 538 H CA -0.484 55.757 56.048 0.322 0.000 1.201 538 H CB 2.454 32.418 29.762 0.337 0.000 1.681 538 H HN 0.421 nan 8.280 nan 0.000 0.534 539 V N 4.215 124.440 119.914 0.518 0.000 2.777 539 V HA 0.472 4.624 4.120 0.052 0.000 0.306 539 V C -1.802 174.544 176.094 0.421 0.000 1.112 539 V CA -0.708 61.832 62.300 0.400 0.000 0.917 539 V CB 1.820 33.870 31.823 0.379 0.000 1.018 539 V HN 0.625 nan 8.190 nan 0.000 0.426 540 L N 7.106 128.526 121.223 0.328 0.000 2.319 540 L HA 1.078 5.449 4.340 0.052 0.000 0.281 540 L C -0.048 176.889 176.870 0.113 0.000 1.005 540 L CA 1.163 56.127 54.840 0.206 0.000 0.828 540 L CB 1.299 43.419 42.059 0.100 0.000 1.227 540 L HN 1.130 nan 8.230 nan 0.000 0.415 541 G N 3.786 112.636 108.800 0.084 0.000 2.320 541 G HA2 0.260 4.251 3.960 0.052 0.000 0.297 541 G HA3 0.260 4.251 3.960 0.052 0.000 0.297 541 G C -3.414 171.538 174.900 0.088 0.000 1.344 541 G CA -0.843 44.259 45.100 0.003 0.000 0.851 541 G HN 0.404 nan 8.290 nan 0.000 0.567 542 P HA 0.194 nan 4.420 nan 0.000 0.269 542 P C 0.054 177.449 177.300 0.158 0.000 1.209 542 P CA 0.025 63.218 63.100 0.154 0.000 0.776 542 P CB 0.262 32.063 31.700 0.167 0.000 0.876 543 N N 0.216 119.028 118.700 0.187 0.000 2.708 543 N HA -0.275 4.496 4.740 0.052 0.000 0.249 543 N C 1.001 176.609 175.510 0.163 0.000 1.097 543 N CA 0.866 54.024 53.050 0.180 0.000 0.710 543 N CB -1.425 37.141 38.487 0.131 0.000 1.032 543 N HN 0.547 nan 8.380 nan 0.000 0.551 544 A N 0.258 123.170 122.820 0.153 0.000 1.948 544 A HA -0.092 4.259 4.320 0.052 0.000 0.220 544 A C 2.331 179.961 177.584 0.077 0.000 1.177 544 A CA 2.317 54.424 52.037 0.116 0.000 0.636 544 A CB -0.883 18.162 19.000 0.075 0.000 0.815 544 A HN 0.553 nan 8.150 nan 0.000 0.449 545 G N -0.745 108.093 108.800 0.063 0.000 2.408 545 G HA2 -0.142 3.849 3.960 0.052 0.000 0.217 545 G HA3 -0.142 3.849 3.960 0.052 0.000 0.217 545 G C 1.355 176.313 174.900 0.097 0.000 1.150 545 G CA 0.894 46.033 45.100 0.066 0.000 0.776 545 G HN 0.502 nan 8.290 nan 0.000 0.542 546 E N 0.506 120.777 120.200 0.118 0.000 2.150 546 E HA -0.029 4.352 4.350 0.052 0.000 0.193 546 E C 2.536 179.181 176.600 0.076 0.000 0.985 546 E CA 0.352 56.802 56.400 0.083 0.000 0.814 546 E CB -0.155 29.593 29.700 0.079 0.000 0.752 546 E HN 0.513 nan 8.360 nan 0.000 0.466 547 I N 0.918 121.560 120.570 0.120 0.000 2.202 547 I HA -0.234 3.968 4.170 0.052 0.000 0.242 547 I C 2.312 178.576 176.117 0.244 0.000 1.091 547 I CA 1.340 62.754 61.300 0.190 0.000 1.368 547 I CB -0.310 37.833 38.000 0.238 0.000 1.058 547 I HN 0.051 nan 8.210 nan 0.000 0.410 548 T N -0.509 114.152 114.554 0.178 0.000 2.770 548 T HA -0.220 4.161 4.350 0.052 0.000 0.263 548 T C 1.757 176.528 174.700 0.118 0.000 1.039 548 T CA 1.263 63.461 62.100 0.164 0.000 1.142 548 T CB -0.255 68.636 68.868 0.039 0.000 0.868 548 T HN 0.206 nan 8.240 nan 0.000 0.435 549 Q N 1.385 121.209 119.800 0.040 0.000 2.118 549 Q HA -0.142 4.229 4.340 0.052 0.000 0.211 549 Q C 2.340 178.306 176.000 -0.056 0.000 0.998 549 Q CA 2.442 58.240 55.803 -0.007 0.000 0.872 549 Q CB -1.180 27.552 28.738 -0.010 0.000 0.925 549 Q HN 0.533 nan 8.270 nan 0.000 0.414 550 G N -1.534 107.183 108.800 -0.138 0.000 2.442 550 G HA2 -0.263 3.728 3.960 0.052 0.000 0.219 550 G HA3 -0.263 3.728 3.960 0.052 0.000 0.219 550 G C 0.919 175.629 174.900 -0.317 0.000 1.141 550 G CA 1.067 46.000 45.100 -0.278 0.000 0.763 550 G HN 0.509 nan 8.290 nan 0.000 0.554 551 Y N 0.945 121.161 120.300 -0.139 0.000 2.457 551 Y HA 0.250 4.831 4.550 0.051 0.000 0.292 551 Y C 2.969 178.815 175.900 -0.089 0.000 1.125 551 Y CA 0.264 58.276 58.100 -0.146 0.000 1.254 551 Y CB -0.257 38.098 38.460 -0.174 0.000 1.012 551 Y HN 0.243 nan 8.280 nan 0.000 0.555 552 A N -0.169 122.681 122.820 0.050 0.000 2.024 552 A HA -0.139 4.212 4.320 0.052 0.000 0.220 552 A C 2.311 179.890 177.584 -0.007 0.000 1.164 552 A CA 1.852 53.894 52.037 0.009 0.000 0.643 552 A CB -1.057 17.933 19.000 -0.016 0.000 0.806 552 A HN 0.266 nan 8.150 nan 0.000 0.451 553 V N -0.360 119.536 119.914 -0.029 0.000 2.270 553 V HA -0.202 3.949 4.120 0.052 0.000 0.245 553 V C 3.044 179.125 176.094 -0.023 0.000 1.043 553 V CA 1.896 64.173 62.300 -0.038 0.000 1.014 553 V CB -1.247 30.537 31.823 -0.066 0.000 0.645 553 V HN 0.586 nan 8.190 nan 0.000 0.447 554 A N -0.379 122.427 122.820 -0.023 0.000 1.972 554 A HA -0.139 4.212 4.320 0.052 0.000 0.219 554 A C 2.164 179.780 177.584 0.054 0.000 1.169 554 A CA 1.718 53.756 52.037 0.002 0.000 0.635 554 A CB -0.548 18.439 19.000 -0.022 0.000 0.810 554 A HN 0.539 nan 8.150 nan 0.000 0.446 555 I N -0.904 119.706 120.570 0.067 0.000 2.286 555 I HA -0.184 4.017 4.170 0.052 0.000 0.245 555 I C 2.455 178.585 176.117 0.021 0.000 1.104 555 I CA 1.581 62.914 61.300 0.054 0.000 1.397 555 I CB -0.195 37.828 38.000 0.038 0.000 1.072 555 I HN 0.244 nan 8.210 nan 0.000 0.417 556 K N 1.767 122.173 120.400 0.009 0.000 2.113 556 K HA -0.139 4.212 4.320 0.052 0.000 0.208 556 K C 1.851 178.452 176.600 0.001 0.000 1.047 556 K CA 1.848 58.135 56.287 -0.000 0.000 0.928 556 K CB -0.305 32.189 32.500 -0.010 0.000 0.716 556 K HN 0.218 nan 8.250 nan 0.000 0.446 557 M N -0.499 119.102 119.600 0.002 0.000 2.659 557 M HA 0.118 4.629 4.480 0.052 0.000 0.243 557 M C 0.490 176.793 176.300 0.005 0.000 1.111 557 M CA 0.775 56.075 55.300 0.000 0.000 1.070 557 M CB 0.115 32.712 32.600 -0.006 0.000 1.525 557 M HN 0.410 nan 8.290 nan 0.000 0.517 558 G N 1.632 110.439 108.800 0.011 0.000 2.326 558 G HA2 -0.138 3.854 3.960 0.052 0.000 0.286 558 G HA3 -0.138 3.854 3.960 0.052 0.000 0.286 558 G C 0.050 174.961 174.900 0.019 0.000 1.096 558 G CA -0.026 45.079 45.100 0.008 0.000 1.003 558 G HN 0.706 nan 8.290 nan 0.000 0.503 559 A N 0.105 122.956 122.820 0.051 0.000 2.466 559 A HA 0.769 5.120 4.320 0.052 0.000 0.238 559 A C 1.087 178.705 177.584 0.057 0.000 1.074 559 A CA 1.225 53.319 52.037 0.096 0.000 0.774 559 A CB 0.369 19.509 19.000 0.233 0.000 1.015 559 A HN 2.051 nan 8.150 nan 0.000 0.498 560 T N -1.190 113.401 114.554 0.061 0.000 2.942 560 T HA 0.491 4.872 4.350 0.052 0.000 0.289 560 T C 0.829 175.526 174.700 -0.004 0.000 1.044 560 T CA -0.482 61.617 62.100 -0.001 0.000 1.023 560 T CB 1.395 70.260 68.868 -0.005 0.000 1.123 560 T HN 0.521 nan 8.240 nan 0.000 0.512 561 K N 1.113 121.443 120.400 -0.116 0.000 2.113 561 K HA -0.016 4.335 4.320 0.052 0.000 0.208 561 K C 2.318 178.885 176.600 -0.055 0.000 1.047 561 K CA 2.055 58.219 56.287 -0.205 0.000 0.928 561 K CB -1.208 31.061 32.500 -0.386 0.000 0.716 561 K HN 0.756 nan 8.250 nan 0.000 0.446 562 A N 1.008 123.814 122.820 -0.023 0.000 1.940 562 A HA -0.206 4.145 4.320 0.052 0.000 0.219 562 A C 1.771 179.386 177.584 0.052 0.000 1.176 562 A CA 2.077 54.120 52.037 0.010 0.000 0.631 562 A CB -0.679 18.325 19.000 0.006 0.000 0.814 562 A HN 0.471 nan 8.150 nan 0.000 0.446 563 D N -0.829 119.625 120.400 0.090 0.000 2.097 563 D HA -0.137 4.534 4.640 0.052 0.000 0.195 563 D C 1.701 178.073 176.300 0.121 0.000 0.989 563 D CA 1.191 55.251 54.000 0.099 0.000 0.827 563 D CB -0.461 40.413 40.800 0.124 0.000 0.966 563 D HN 0.556 nan 8.370 nan 0.000 0.456 564 F N 1.649 121.580 119.950 -0.032 0.000 2.134 564 F HA -0.172 4.385 4.527 0.051 0.000 0.299 564 F C 2.305 178.103 175.800 -0.004 0.000 1.097 564 F CA 0.945 58.941 58.000 -0.008 0.000 1.264 564 F CB 0.045 39.021 39.000 -0.040 0.000 1.001 564 F HN -0.138 nan 8.300 nan 0.000 0.479 565 D N -0.079 120.416 120.400 0.159 0.000 2.097 565 D HA -0.145 4.527 4.640 0.052 0.000 0.195 565 D C 2.258 178.586 176.300 0.048 0.000 0.989 565 D CA 1.157 55.206 54.000 0.081 0.000 0.827 565 D CB -0.527 40.296 40.800 0.039 0.000 0.966 565 D HN 0.245 nan 8.370 nan 0.000 0.456 566 R N 0.273 120.793 120.500 0.034 0.000 2.127 566 R HA -0.021 4.350 4.340 0.052 0.000 0.238 566 R C 0.694 176.992 176.300 -0.003 0.000 1.134 566 R CA 0.694 56.801 56.100 0.012 0.000 0.975 566 R CB -0.296 30.008 30.300 0.006 0.000 0.865 566 R HN 0.100 nan 8.270 nan 0.000 0.447 567 T N 1.917 116.463 114.554 -0.015 0.000 2.901 567 T HA 0.160 4.541 4.350 0.052 0.000 0.301 567 T C 0.419 175.107 174.700 -0.020 0.000 1.012 567 T CA -0.092 61.982 62.100 -0.043 0.000 1.135 567 T CB 0.988 69.792 68.868 -0.106 0.000 0.936 567 T HN -0.043 nan 8.240 nan 0.000 0.539 568 I N 2.224 122.780 120.570 -0.023 0.000 2.532 568 I HA 0.352 4.553 4.170 0.052 0.000 0.292 568 I C 1.294 177.410 176.117 -0.001 0.000 1.014 568 I CA -0.561 60.734 61.300 -0.007 0.000 1.340 568 I CB 0.634 38.629 38.000 -0.008 0.000 1.422 568 I HN 0.701 nan 8.210 nan 0.000 0.528 569 G N 5.263 114.073 108.800 0.016 0.000 2.539 569 G HA2 0.530 4.522 3.960 0.052 0.000 0.258 569 G HA3 0.530 4.522 3.960 0.052 0.000 0.258 569 G C -0.334 174.590 174.900 0.040 0.000 1.202 569 G CA -0.514 44.606 45.100 0.033 0.000 0.851 569 G HN 0.514 nan 8.290 nan 0.000 0.556 570 I N 0.433 121.033 120.570 0.050 0.000 2.354 570 I HA 0.295 4.496 4.170 0.052 0.000 0.292 570 I C -0.325 175.861 176.117 0.115 0.000 0.989 570 I CA -0.731 60.604 61.300 0.059 0.000 1.188 570 I CB 1.775 39.788 38.000 0.021 0.000 1.342 570 I HN 0.548 nan 8.210 nan 0.000 0.457 571 H N 6.894 125.966 119.070 0.004 0.000 2.637 571 H HA 0.604 5.191 4.556 0.052 0.000 0.363 571 H C -2.595 172.742 175.328 0.015 0.000 1.131 571 H CA -1.889 54.165 56.048 0.010 0.000 1.183 571 H CB 1.816 31.585 29.762 0.011 0.000 1.637 571 H HN 0.327 nan 8.280 nan 0.000 0.531 572 P HA 0.265 nan 4.420 nan 0.000 0.292 572 P C -1.183 176.049 177.300 -0.112 0.000 1.326 572 P CA -0.559 62.225 63.100 -0.525 0.000 0.787 572 P CB 1.027 32.406 31.700 -0.536 0.000 0.903 573 T N -1.147 113.413 114.554 0.011 0.000 2.906 573 T HA 0.272 4.654 4.350 0.052 0.000 0.295 573 T C 0.856 175.559 174.700 0.006 0.000 1.075 573 T CA -0.551 61.557 62.100 0.014 0.000 1.005 573 T CB 0.882 69.763 68.868 0.022 0.000 1.136 573 T HN 0.272 nan 8.240 nan 0.000 0.498 574 C N 0.741 120.033 119.300 -0.013 0.000 2.453 574 C HA 0.005 4.496 4.460 0.052 0.000 0.277 574 C C 3.126 177.973 174.990 -0.238 0.000 1.262 574 C CA 1.434 60.385 59.018 -0.112 0.000 1.718 574 C CB -1.096 26.645 27.740 0.003 0.000 2.031 574 C HN 1.051 nan 8.230 nan 0.000 0.480 575 S N 0.845 116.521 115.700 -0.040 0.000 2.419 575 S HA -0.209 4.293 4.470 0.052 0.000 0.235 575 S C 1.896 176.587 174.600 0.151 0.000 1.019 575 S CA 2.033 60.308 58.200 0.125 0.000 0.982 575 S CB -0.450 62.889 63.200 0.232 0.000 0.789 575 S HN 0.845 nan 8.310 nan 0.000 0.490 576 E N -0.008 120.222 120.200 0.051 0.000 2.118 576 E HA -0.153 4.228 4.350 0.052 0.000 0.195 576 E C 1.672 178.282 176.600 0.018 0.000 0.992 576 E CA 1.720 58.161 56.400 0.069 0.000 0.804 576 E CB -1.153 28.583 29.700 0.060 0.000 0.741 576 E HN 0.427 nan 8.360 nan 0.000 0.458 577 T N 0.538 114.997 114.554 -0.158 0.000 2.896 577 T HA -0.171 4.210 4.350 0.052 0.000 0.270 577 T C 1.098 175.668 174.700 -0.217 0.000 1.104 577 T CA 1.329 63.279 62.100 -0.250 0.000 1.115 577 T CB -0.385 68.187 68.868 -0.493 0.000 0.843 577 T HN 0.179 nan 8.240 nan 0.000 0.523 578 F N 1.824 121.722 119.950 -0.086 0.000 2.234 578 F HA -0.067 4.491 4.527 0.052 0.000 0.299 578 F C 2.856 178.738 175.800 0.137 0.000 1.087 578 F CA 1.280 59.286 58.000 0.009 0.000 1.340 578 F CB -1.047 37.956 39.000 0.006 0.000 1.031 578 F HN 0.247 nan 8.300 nan 0.000 0.500 579 T N -4.038 110.682 114.554 0.277 0.000 3.085 579 T HA -0.055 4.326 4.350 0.052 0.000 0.263 579 T C 1.271 176.050 174.700 0.132 0.000 1.127 579 T CA 1.301 63.517 62.100 0.194 0.000 1.103 579 T CB -0.710 68.222 68.868 0.108 0.000 0.921 579 T HN 0.269 nan 8.240 nan 0.000 0.510 580 T N -0.636 113.983 114.554 0.109 0.000 3.288 580 T HA 0.464 4.846 4.350 0.052 0.000 0.293 580 T C 0.218 175.006 174.700 0.147 0.000 1.008 580 T CA -0.650 61.514 62.100 0.107 0.000 0.929 580 T CB -0.532 68.385 68.868 0.081 0.000 1.152 580 T HN 0.291 nan 8.240 nan 0.000 0.517 581 L N 3.837 125.120 121.223 0.099 0.000 2.513 581 L HA 0.233 4.605 4.340 0.052 0.000 0.272 581 L C 1.822 178.798 176.870 0.176 0.000 1.187 581 L CA 0.177 55.058 54.840 0.068 0.000 0.895 581 L CB 0.353 42.441 42.059 0.047 0.000 1.147 581 L HN 0.544 nan 8.230 nan 0.000 0.483 582 H N 1.216 120.388 119.070 0.170 0.000 3.436 582 H HA 0.179 4.767 4.556 0.052 0.000 0.244 582 H C 0.189 175.647 175.328 0.218 0.000 1.009 582 H CA -0.207 55.973 56.048 0.220 0.000 1.129 582 H CB 0.139 29.974 29.762 0.122 0.000 1.473 582 H HN 0.306 nan 8.280 nan 0.000 0.510 583 V N 4.663 124.463 119.914 -0.191 0.000 2.439 583 V HA 0.147 4.299 4.120 0.052 0.000 0.271 583 V C 1.033 177.149 176.094 0.036 0.000 1.040 583 V CA 0.467 62.748 62.300 -0.031 0.000 1.002 583 V CB 0.773 32.549 31.823 -0.078 0.000 1.000 583 V HN 0.643 nan 8.190 nan 0.000 0.477 584 T N 2.069 116.566 114.554 -0.095 0.000 2.912 584 T HA 0.395 4.776 4.350 0.052 0.000 0.280 584 T C 0.858 175.424 174.700 -0.223 0.000 0.989 584 T CA -0.701 61.227 62.100 -0.288 0.000 0.995 584 T CB 1.580 70.184 68.868 -0.440 0.000 1.077 584 T HN 0.531 nan 8.240 nan 0.000 0.531 585 K N 0.123 120.302 120.400 -0.369 0.000 2.116 585 K HA 0.035 4.386 4.320 0.052 0.000 0.203 585 K C 2.374 178.880 176.600 -0.156 0.000 1.052 585 K CA 0.783 56.871 56.287 -0.333 0.000 0.952 585 K CB -0.048 32.221 32.500 -0.385 0.000 0.729 585 K HN 0.550 nan 8.250 nan 0.000 0.446 586 K N 0.781 121.090 120.400 -0.153 0.000 2.097 586 K HA -0.111 4.240 4.320 0.052 0.000 0.206 586 K C 2.166 178.726 176.600 -0.066 0.000 1.049 586 K CA 1.650 57.879 56.287 -0.097 0.000 0.933 586 K CB -0.146 32.296 32.500 -0.097 0.000 0.717 586 K HN 0.145 nan 8.250 nan 0.000 0.442 587 S N -0.113 115.546 115.700 -0.068 0.000 2.500 587 S HA -0.077 4.424 4.470 0.052 0.000 0.239 587 S C 1.643 176.240 174.600 -0.006 0.000 0.989 587 S CA 1.110 59.292 58.200 -0.030 0.000 0.951 587 S CB -0.440 62.748 63.200 -0.019 0.000 0.759 587 S HN 0.495 nan 8.310 nan 0.000 0.523 588 G N 0.188 108.985 108.800 -0.005 0.000 2.189 588 G HA2 -0.290 3.701 3.960 0.052 0.000 0.267 588 G HA3 -0.290 3.701 3.960 0.052 0.000 0.267 588 G C 0.202 175.127 174.900 0.042 0.000 0.975 588 G CA 0.296 45.405 45.100 0.016 0.000 0.644 588 G HN 0.814 nan 8.290 nan 0.000 0.537 589 V N 1.160 121.105 119.914 0.052 0.000 2.763 589 V HA 0.400 4.551 4.120 0.052 0.000 0.306 589 V C 1.410 177.554 176.094 0.084 0.000 1.059 589 V CA 0.683 63.020 62.300 0.062 0.000 1.138 589 V CB 1.506 33.369 31.823 0.067 0.000 0.940 589 V HN 0.534 nan 8.190 nan 0.000 0.489 590 S N 5.704 121.435 115.700 0.051 0.000 2.562 590 S HA 0.201 4.702 4.470 0.052 0.000 0.281 590 S C -1.241 173.349 174.600 -0.018 0.000 1.333 590 S CA -0.848 57.367 58.200 0.025 0.000 1.052 590 S CB 0.753 63.960 63.200 0.013 0.000 0.884 590 S HN 0.765 nan 8.310 nan 0.000 0.506 591 P HA 0.220 nan 4.420 nan 0.000 0.261 591 P C 0.268 177.506 177.300 -0.104 0.000 1.352 591 P CA -0.167 62.800 63.100 -0.220 0.000 0.891 591 P CB -0.475 30.853 31.700 -0.620 0.000 1.383 592 I N -1.919 118.623 120.570 -0.047 0.000 3.021 592 I HA 0.434 4.635 4.170 0.052 0.000 0.303 592 I C 0.273 176.393 176.117 0.005 0.000 1.044 592 I CA -1.175 60.117 61.300 -0.014 0.000 1.266 592 I CB 0.923 38.920 38.000 -0.006 0.000 1.447 592 I HN -0.314 nan 8.210 nan 0.000 0.593 593 V N 0.000 119.926 119.914 0.020 0.000 2.409 593 V HA 0.000 4.151 4.120 0.052 0.000 0.244 593 V CA 0.000 62.320 62.300 0.034 0.000 1.235 593 V CB 0.000 31.850 31.823 0.045 0.000 1.184 593 V HN 0.000 nan 8.190 nan 0.000 0.556