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 2id0_1_B DATA FIRST_RESID 5 DATA SEQUENCE NPLLAQLKQQ LHSQTPRAEG VVKATEKGFG FLEVDAQKSY FIPPPQXKKV DATA SEQUENCE XHGDRIIAVI HSEKERESAE PEELVEPFLT RFVGKVQGKN DRLAIVPDHP DATA SEQUENCE LLKDAIPCRA ARGLNHEFKE GDWAVAEXRR HPLKGDRSFY AELTQYITFG DATA SEQUENCE DDHFVPWWVT LARHNLEKEA PDGVATEXLD EGLVREDLTA LDFVTIDSAS DATA SEQUENCE TEDXDDALFA KALPDDKLQL IVAIADPTAW IAEGSKLDKA AKIRAFTNYL DATA SEQUENCE PGFNIPXLPR ELSDDLCSLR ANEVRPVLAC RXTLSADGTI EDNIEFFAAT DATA SEQUENCE IESKAKLVYD QVSDWLENTG DWQPESEAIA EQVRLLAQIC QRRGEWRHNH DATA SEQUENCE ALVFKDRPDY RFILGEKGEV LDIVAEPRRI ANRIVEEAXI AANICAARVL DATA SEQUENCE RDKLGFGIYN VHXGFDPANA DALAALLKTH GLHVDAEEVL TLDGFCKLRR DATA SEQUENCE ELDAQPTGFL DSRIRRFQSF AEISTEPGPH FGLGLEAYAT WTSPIRKYGD DATA SEQUENCE XINHRLLKAV IKGXXXXRPQ DEITVQXAER RRLNRXAERD VGDWLYARFL DATA SEQUENCE KDKAGTDTRF AAEIVDISRG GXRVRLVDNG AIAFIPAPFL HAVRDELVCS DATA SEQUENCE QENGTVQIKG ETVYKVTDVI DVTIAEVRXE TRSIIARPVA 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.505 175.510 -0.008 0.000 1.280 5 N CA 0.000 53.046 53.050 -0.007 0.000 0.885 5 N CB 0.000 38.483 38.487 -0.007 0.000 1.341 6 P HA -0.060 nan 4.420 nan 0.000 0.218 6 P C 1.446 178.741 177.300 -0.009 0.000 1.149 6 P CA 0.601 63.696 63.100 -0.007 0.000 0.817 6 P CB 0.304 32.001 31.700 -0.006 0.000 0.785 7 L N -0.328 120.890 121.223 -0.009 0.000 2.027 7 L HA -0.070 4.359 4.340 0.150 0.000 0.206 7 L C 2.280 179.142 176.870 -0.013 0.000 1.074 7 L CA 1.640 56.474 54.840 -0.010 0.000 0.745 7 L CB -1.679 40.375 42.059 -0.009 0.000 0.898 7 L HN -0.145 nan 8.230 nan 0.000 0.433 8 L N -0.286 120.929 121.223 -0.012 0.000 2.217 8 L HA 0.074 4.504 4.340 0.150 0.000 0.211 8 L C 2.355 179.216 176.870 -0.016 0.000 1.107 8 L CA 1.784 56.615 54.840 -0.015 0.000 0.783 8 L CB -0.932 41.120 42.059 -0.013 0.000 0.919 8 L HN 0.296 nan 8.230 nan 0.000 0.442 9 A N -1.309 121.503 122.820 -0.014 0.000 1.930 9 A HA -0.147 4.263 4.320 0.150 0.000 0.215 9 A C 2.142 179.717 177.584 -0.016 0.000 1.176 9 A CA 1.235 53.263 52.037 -0.014 0.000 0.632 9 A CB -0.354 18.639 19.000 -0.011 0.000 0.819 9 A HN 0.589 nan 8.150 nan 0.000 0.445 10 Q N -0.242 119.550 119.800 -0.015 0.000 2.046 10 Q HA -0.089 4.341 4.340 0.150 0.000 0.200 10 Q C 2.092 178.079 176.000 -0.022 0.000 0.975 10 Q CA 1.327 57.121 55.803 -0.016 0.000 0.836 10 Q CB -0.393 28.337 28.738 -0.013 0.000 0.896 10 Q HN 0.637 nan 8.270 nan 0.000 0.428 11 L N 1.031 122.240 121.223 -0.023 0.000 2.021 11 L HA -0.291 4.139 4.340 0.150 0.000 0.215 11 L C 2.642 179.486 176.870 -0.044 0.000 1.074 11 L CA 1.577 56.397 54.840 -0.032 0.000 0.760 11 L CB -0.463 41.579 42.059 -0.030 0.000 0.889 11 L HN 0.221 nan 8.230 nan 0.000 0.433 12 K N -0.039 120.339 120.400 -0.037 0.000 2.097 12 K HA -0.227 4.183 4.320 0.150 0.000 0.205 12 K C 2.193 178.769 176.600 -0.040 0.000 1.050 12 K CA 1.639 57.902 56.287 -0.040 0.000 0.938 12 K CB 0.019 32.502 32.500 -0.027 0.000 0.718 12 K HN 0.521 nan 8.250 nan 0.000 0.442 13 Q N -0.670 119.112 119.800 -0.029 0.000 2.187 13 Q HA -0.103 4.326 4.340 0.150 0.000 0.199 13 Q C 1.298 177.284 176.000 -0.024 0.000 0.957 13 Q CA 0.758 56.549 55.803 -0.021 0.000 0.857 13 Q CB 0.124 28.854 28.738 -0.014 0.000 0.929 13 Q HN 0.190 nan 8.270 nan 0.000 0.453 14 Q N 0.379 120.160 119.800 -0.033 0.000 2.319 14 Q HA 0.100 4.530 4.340 0.150 0.000 0.202 14 Q C 1.652 177.619 176.000 -0.054 0.000 0.896 14 Q CA -0.115 55.669 55.803 -0.030 0.000 0.942 14 Q CB 0.297 29.020 28.738 -0.024 0.000 1.083 14 Q HN 0.308 nan 8.270 nan 0.000 0.510 15 L N 1.385 122.547 121.223 -0.101 0.000 2.013 15 L HA -0.264 4.166 4.340 0.150 0.000 0.239 15 L C 1.231 177.947 176.870 -0.257 0.000 1.100 15 L CA 2.091 56.791 54.840 -0.233 0.000 0.826 15 L CB -0.608 41.243 42.059 -0.346 0.000 0.921 15 L HN 0.347 nan 8.230 nan 0.000 0.445 16 H N -0.600 118.488 119.070 0.030 0.000 2.577 16 H HA 0.280 4.926 4.556 0.150 0.000 0.306 16 H C 1.847 177.174 175.328 -0.003 0.000 1.109 16 H CA 0.648 56.716 56.048 0.032 0.000 1.063 16 H CB -0.264 29.531 29.762 0.056 0.000 1.535 16 H HN 0.535 nan 8.280 nan 0.000 0.532 17 S N -0.393 115.344 115.700 0.062 0.000 2.500 17 S HA -0.176 4.384 4.470 0.150 0.000 0.239 17 S C 1.799 176.415 174.600 0.027 0.000 0.989 17 S CA 0.936 59.156 58.200 0.033 0.000 0.951 17 S CB 0.234 63.440 63.200 0.011 0.000 0.759 17 S HN 0.295 nan 8.310 nan 0.000 0.523 18 Q N 1.119 120.942 119.800 0.038 0.000 2.352 18 Q HA 0.255 4.685 4.340 0.150 0.000 0.212 18 Q C -0.115 175.894 176.000 0.015 0.000 0.888 18 Q CA 0.278 56.096 55.803 0.024 0.000 0.934 18 Q CB 0.398 29.152 28.738 0.027 0.000 1.093 18 Q HN 0.521 nan 8.270 nan 0.000 0.523 19 T N 3.260 117.825 114.554 0.018 0.000 2.907 19 T HA 0.281 4.721 4.350 0.150 0.000 0.298 19 T C -2.475 172.178 174.700 -0.078 0.000 1.017 19 T CA -1.211 60.868 62.100 -0.034 0.000 1.118 19 T CB 0.878 69.702 68.868 -0.073 0.000 0.948 19 T HN 0.151 nan 8.240 nan 0.000 0.531 20 P HA 0.205 nan 4.420 nan 0.000 0.271 20 P C -0.471 176.739 177.300 -0.151 0.000 1.218 20 P CA -0.484 62.556 63.100 -0.101 0.000 0.780 20 P CB 0.652 32.300 31.700 -0.088 0.000 0.901 21 R N 1.106 121.539 120.500 -0.112 0.000 2.604 21 R HA 0.759 5.189 4.340 0.150 0.000 0.287 21 R C -0.402 175.835 176.300 -0.105 0.000 0.970 21 R CA -0.957 55.071 56.100 -0.120 0.000 0.946 21 R CB 1.673 31.930 30.300 -0.073 0.000 1.127 21 R HN 0.557 nan 8.270 nan 0.000 0.473 22 A N 1.748 124.497 122.820 -0.119 0.000 2.385 22 A HA 0.303 4.713 4.320 0.150 0.000 0.290 22 A C -0.435 177.144 177.584 -0.009 0.000 1.094 22 A CA -0.703 51.304 52.037 -0.051 0.000 0.729 22 A CB 1.053 20.007 19.000 -0.077 0.000 1.194 22 A HN 0.748 nan 8.150 nan 0.000 0.442 23 E N 1.937 122.147 120.200 0.017 0.000 2.366 23 E HA 0.585 5.025 4.350 0.150 0.000 0.266 23 E C 0.462 177.090 176.600 0.047 0.000 1.051 23 E CA 0.466 56.879 56.400 0.022 0.000 0.884 23 E CB 1.004 30.713 29.700 0.016 0.000 1.006 23 E HN 1.033 nan 8.360 nan 0.000 0.417 24 G N 1.150 109.975 108.800 0.041 0.000 2.340 24 G HA2 0.316 4.366 3.960 0.150 0.000 0.299 24 G HA3 0.316 4.366 3.960 0.150 0.000 0.299 24 G C -1.567 173.351 174.900 0.030 0.000 1.291 24 G CA -0.601 44.529 45.100 0.050 0.000 0.841 24 G HN 0.477 nan 8.290 nan 0.000 0.500 25 V N 0.037 119.964 119.914 0.021 0.000 2.547 25 V HA 0.575 4.785 4.120 0.150 0.000 0.299 25 V C 0.304 176.383 176.094 -0.026 0.000 1.040 25 V CA -0.710 61.581 62.300 -0.016 0.000 0.913 25 V CB 1.627 33.428 31.823 -0.036 0.000 0.992 25 V HN 0.625 nan 8.190 nan 0.000 0.449 26 V N 5.108 124.978 119.914 -0.073 0.000 2.530 26 V HA 0.377 4.587 4.120 0.150 0.000 0.282 26 V C 0.099 176.109 176.094 -0.140 0.000 1.048 26 V CA -0.548 61.714 62.300 -0.063 0.000 0.997 26 V CB 1.310 33.101 31.823 -0.054 0.000 0.987 26 V HN 0.707 nan 8.190 nan 0.000 0.477 27 K N 3.978 124.393 120.400 0.025 0.000 2.450 27 K HA 0.669 5.079 4.320 0.150 0.000 0.257 27 K C -0.224 176.515 176.600 0.232 0.000 0.953 27 K CA -0.228 56.147 56.287 0.147 0.000 0.844 27 K CB 1.948 34.561 32.500 0.189 0.000 1.103 27 K HN 0.739 nan 8.250 nan 0.000 0.429 28 A N 2.579 125.611 122.820 0.352 0.000 2.316 28 A HA 0.624 5.034 4.320 0.150 0.000 0.284 28 A C 0.005 177.589 177.584 -0.001 0.000 1.115 28 A CA -0.127 51.970 52.037 0.101 0.000 0.812 28 A CB 0.335 19.347 19.000 0.020 0.000 1.064 28 A HN 0.622 nan 8.150 nan 0.000 0.489 29 T N 0.550 115.058 114.554 -0.075 0.000 2.950 29 T HA 0.335 4.775 4.350 0.150 0.000 0.288 29 T C 0.796 175.396 174.700 -0.166 0.000 1.035 29 T CA -0.671 61.357 62.100 -0.120 0.000 1.028 29 T CB 1.149 69.911 68.868 -0.176 0.000 1.109 29 T HN 0.649 nan 8.240 nan 0.000 0.514 30 E N 0.729 120.842 120.200 -0.145 0.000 2.279 30 E HA -0.174 4.266 4.350 0.150 0.000 0.205 30 E C 0.798 177.306 176.600 -0.153 0.000 1.028 30 E CA 1.443 57.765 56.400 -0.130 0.000 0.830 30 E CB -0.171 29.471 29.700 -0.097 0.000 0.736 30 E HN 0.573 nan 8.360 nan 0.000 0.478 31 K N -0.827 119.431 120.400 -0.238 0.000 2.952 31 K HA 0.303 4.713 4.320 0.150 0.000 0.323 31 K C 1.783 178.236 176.600 -0.245 0.000 1.003 31 K CA 0.249 56.358 56.287 -0.298 0.000 1.156 31 K CB -0.025 32.115 32.500 -0.601 0.000 1.339 31 K HN 0.050 nan 8.250 nan 0.000 0.516 32 G N 0.507 109.164 108.800 -0.238 0.000 2.576 32 G HA2 0.066 4.116 3.960 0.150 0.000 0.210 32 G HA3 0.066 4.116 3.960 0.150 0.000 0.210 32 G C 0.212 175.071 174.900 -0.068 0.000 1.143 32 G CA 0.058 45.108 45.100 -0.084 0.000 0.819 32 G HN 0.428 nan 8.290 nan 0.000 0.534 33 F N 0.049 119.969 119.950 -0.049 0.000 2.470 33 F HA 0.868 5.484 4.527 0.150 0.000 0.329 33 F C 0.313 175.986 175.800 -0.212 0.000 1.072 33 F CA -1.647 56.263 58.000 -0.150 0.000 0.989 33 F CB 1.447 40.400 39.000 -0.080 0.000 1.193 33 F HN 0.125 nan 8.300 nan 0.000 0.481 34 G N 0.673 109.404 108.800 -0.115 0.000 3.176 34 G HA2 0.716 4.765 3.960 0.150 0.000 0.272 34 G HA3 0.716 4.765 3.960 0.150 0.000 0.272 34 G C -2.177 172.431 174.900 -0.486 0.000 1.349 34 G CA -1.002 43.995 45.100 -0.172 0.000 0.953 34 G HN 0.568 nan 8.290 nan 0.000 0.559 35 F N -1.383 118.632 119.950 0.109 0.000 2.603 35 F HA 0.610 5.226 4.527 0.150 0.000 0.317 35 F C -0.538 175.302 175.800 0.066 0.000 1.066 35 F CA -0.805 57.262 58.000 0.112 0.000 0.941 35 F CB 2.490 41.579 39.000 0.149 0.000 1.291 35 F HN 0.327 nan 8.300 nan 0.000 0.472 36 L N 2.177 123.565 121.223 0.275 0.000 2.301 36 L HA 0.405 4.835 4.340 0.150 0.000 0.278 36 L C -0.379 176.615 176.870 0.207 0.000 1.022 36 L CA -0.155 54.801 54.840 0.194 0.000 0.854 36 L CB 0.849 43.013 42.059 0.175 0.000 1.226 36 L HN 0.595 nan 8.230 nan 0.000 0.429 37 E N 3.434 123.715 120.200 0.135 0.000 2.105 37 E HA 0.184 4.624 4.350 0.150 0.000 0.285 37 E C 0.026 176.668 176.600 0.070 0.000 1.055 37 E CA -0.196 56.253 56.400 0.083 0.000 0.843 37 E CB 1.203 30.932 29.700 0.047 0.000 1.067 37 E HN 0.642 nan 8.360 nan 0.000 0.398 38 V N 4.049 124.005 119.914 0.070 0.000 3.565 38 V HA 0.099 4.309 4.120 0.150 0.000 0.260 38 V C 0.426 176.547 176.094 0.045 0.000 1.231 38 V CA 0.589 62.938 62.300 0.081 0.000 1.100 38 V CB 0.298 32.212 31.823 0.151 0.000 0.807 38 V HN 0.721 nan 8.190 nan 0.000 0.454 39 D N -2.688 117.724 120.400 0.020 0.000 2.890 39 D HA 0.236 4.966 4.640 0.150 0.000 0.306 39 D C 0.855 177.150 176.300 -0.008 0.000 1.280 39 D CA 0.269 54.274 54.000 0.008 0.000 0.742 39 D CB 1.324 42.128 40.800 0.007 0.000 1.266 39 D HN -0.089 nan 8.370 nan 0.000 0.433 40 A N 0.524 123.339 122.820 -0.008 0.000 1.859 40 A HA -0.238 4.172 4.320 0.150 0.000 0.218 40 A C 1.676 179.245 177.584 -0.026 0.000 1.209 40 A CA 2.745 54.774 52.037 -0.012 0.000 0.639 40 A CB -0.484 18.512 19.000 -0.007 0.000 0.835 40 A HN 0.379 nan 8.150 nan 0.000 0.450 41 Q N -1.402 118.377 119.800 -0.036 0.000 2.189 41 Q HA 0.246 4.676 4.340 0.150 0.000 0.223 41 Q C 0.201 176.149 176.000 -0.086 0.000 0.828 41 Q CA 0.158 55.927 55.803 -0.056 0.000 0.967 41 Q CB 0.170 28.879 28.738 -0.049 0.000 1.139 41 Q HN 0.566 nan 8.270 nan 0.000 0.497 42 K N 0.685 121.032 120.400 -0.088 0.000 2.336 42 K HA 0.230 4.640 4.320 0.150 0.000 0.290 42 K C -0.992 175.503 176.600 -0.175 0.000 1.067 42 K CA 0.134 56.325 56.287 -0.160 0.000 0.962 42 K CB 0.046 32.480 32.500 -0.109 0.000 1.008 42 K HN -0.049 nan 8.250 nan 0.000 0.467 43 S N 4.817 120.361 115.700 -0.260 0.000 2.737 43 S HA 0.283 4.843 4.470 0.150 0.000 0.269 43 S C -1.525 173.044 174.600 -0.051 0.000 1.150 43 S CA -0.702 57.434 58.200 -0.106 0.000 1.077 43 S CB 0.221 63.390 63.200 -0.051 0.000 1.075 43 S HN 0.454 nan 8.310 nan 0.000 0.476 44 Y N 3.377 123.794 120.300 0.194 0.000 2.304 44 Y HA 0.408 5.048 4.550 0.150 0.000 0.328 44 Y C 0.333 176.412 175.900 0.298 0.000 1.123 44 Y CA -0.686 57.544 58.100 0.216 0.000 1.218 44 Y CB 0.595 39.124 38.460 0.115 0.000 1.207 44 Y HN 0.692 nan 8.280 nan 0.000 0.495 45 F N 4.828 124.963 119.950 0.307 0.000 2.495 45 F HA 0.424 5.041 4.527 0.150 0.000 0.365 45 F C -0.632 175.148 175.800 -0.035 0.000 1.090 45 F CA -0.740 57.283 58.000 0.038 0.000 1.235 45 F CB 0.163 39.150 39.000 -0.022 0.000 1.119 45 F HN 0.297 nan 8.300 nan 0.000 0.562 46 I N 7.935 127.921 120.570 -0.973 0.000 2.354 46 I HA 0.322 4.582 4.170 0.150 0.000 0.286 46 I C -2.330 173.156 176.117 -1.052 0.000 1.007 46 I CA -2.293 58.524 61.300 -0.804 0.000 1.167 46 I CB 1.063 38.855 38.000 -0.347 0.000 1.320 46 I HN 0.454 nan 8.210 nan 0.000 0.458 47 P HA 0.071 nan 4.420 nan 0.000 0.267 47 P C -2.053 175.138 177.300 -0.181 0.000 1.200 47 P CA -0.887 61.972 63.100 -0.402 0.000 0.772 47 P CB 0.149 31.755 31.700 -0.156 0.000 0.855 48 P HA -0.111 nan 4.420 nan 0.000 0.215 48 P C -1.173 176.118 177.300 -0.016 0.000 1.157 48 P CA 2.319 65.420 63.100 0.001 0.000 0.868 48 P CB -1.638 30.099 31.700 0.062 0.000 0.788 49 P HA -0.136 nan 4.420 nan 0.000 0.218 49 P C 0.803 178.089 177.300 -0.024 0.000 1.148 49 P CA 1.292 64.385 63.100 -0.013 0.000 0.822 49 P CB -0.386 31.308 31.700 -0.010 0.000 0.784 53 K N 1.473 121.876 120.400 0.006 0.000 2.393 53 K HA 0.113 4.523 4.320 0.150 0.000 0.193 53 K C 0.883 177.481 176.600 -0.002 0.000 1.026 53 K CA 0.307 56.546 56.287 -0.081 0.000 1.064 53 K CB 0.670 33.142 32.500 -0.046 0.000 0.833 53 K HN 0.070 nan 8.250 nan 0.000 0.521 57 G N 3.523 111.651 108.800 -1.119 0.000 2.254 57 G HA2 -0.238 3.812 3.960 0.150 0.000 0.225 57 G HA3 -0.238 3.812 3.960 0.150 0.000 0.225 57 G C -0.185 174.552 174.900 -0.272 0.000 1.003 57 G CA 0.055 44.565 45.100 -0.983 0.000 0.622 57 G HN 0.698 nan 8.290 nan 0.000 0.507 58 D N 0.701 121.019 120.400 -0.138 0.000 2.414 58 D HA 0.429 5.158 4.640 0.150 0.000 0.242 58 D C 0.785 177.081 176.300 -0.006 0.000 1.129 58 D CA 0.097 54.113 54.000 0.028 0.000 0.885 58 D CB 0.746 41.609 40.800 0.105 0.000 1.198 58 D HN 0.515 nan 8.370 nan 0.000 0.437 59 R N 2.667 123.176 120.500 0.015 0.000 2.294 59 R HA 0.563 4.993 4.340 0.150 0.000 0.319 59 R C -0.545 175.756 176.300 0.003 0.000 0.984 59 R CA -0.532 55.573 56.100 0.007 0.000 0.861 59 R CB 0.268 30.576 30.300 0.014 0.000 1.104 59 R HN 0.585 nan 8.270 nan 0.000 0.451 60 I N 1.116 121.689 120.570 0.006 0.000 2.894 60 I HA 0.475 4.735 4.170 0.150 0.000 0.302 60 I C -1.000 175.117 176.117 -0.000 0.000 1.188 60 I CA -1.351 59.951 61.300 0.003 0.000 1.014 60 I CB 2.186 40.196 38.000 0.017 0.000 1.242 60 I HN 0.466 nan 8.210 nan 0.000 0.430 61 I N 3.734 124.298 120.570 -0.009 0.000 2.365 61 I HA 0.683 4.943 4.170 0.150 0.000 0.291 61 I C 0.398 176.494 176.117 -0.034 0.000 1.004 61 I CA -0.219 61.069 61.300 -0.020 0.000 1.311 61 I CB 1.546 39.533 38.000 -0.021 0.000 1.401 61 I HN 0.804 nan 8.210 nan 0.000 0.491 62 A N 5.811 128.593 122.820 -0.063 0.000 2.380 62 A HA 0.761 5.171 4.320 0.150 0.000 0.315 62 A C -0.744 176.741 177.584 -0.165 0.000 1.101 62 A CA -0.585 51.394 52.037 -0.097 0.000 0.771 62 A CB 1.504 20.446 19.000 -0.096 0.000 1.287 62 A HN 0.403 nan 8.150 nan 0.000 0.436 63 V N 2.706 122.494 119.914 -0.209 0.000 2.498 63 V HA 0.217 4.427 4.120 0.150 0.000 0.279 63 V C -0.309 175.481 176.094 -0.507 0.000 1.048 63 V CA -0.262 61.824 62.300 -0.357 0.000 0.967 63 V CB 1.062 32.633 31.823 -0.421 0.000 0.988 63 V HN 0.596 nan 8.190 nan 0.000 0.473 64 I N 5.171 125.437 120.570 -0.507 0.000 2.306 64 I HA 0.315 4.575 4.170 0.150 0.000 0.288 64 I C 0.092 175.957 176.117 -0.419 0.000 1.036 64 I CA -0.341 60.675 61.300 -0.475 0.000 1.221 64 I CB 0.358 38.039 38.000 -0.532 0.000 1.385 64 I HN 0.557 nan 8.210 nan 0.000 0.472 65 H N 4.775 123.758 119.070 -0.144 0.000 2.705 65 H HA 0.264 4.910 4.556 0.150 0.000 0.291 65 H C 0.257 175.568 175.328 -0.028 0.000 1.085 65 H CA -0.221 55.770 56.048 -0.094 0.000 1.357 65 H CB 1.056 30.753 29.762 -0.107 0.000 1.419 65 H HN 0.463 nan 8.280 nan 0.000 0.462 66 S N 2.473 118.227 115.700 0.091 0.000 2.468 66 S HA 0.195 4.755 4.470 0.150 0.000 0.190 66 S C 0.700 175.344 174.600 0.072 0.000 1.445 66 S CA -0.862 57.387 58.200 0.082 0.000 1.084 66 S CB 0.443 63.683 63.200 0.066 0.000 1.175 66 S HN 0.580 nan 8.310 nan 0.000 0.484 67 E N 1.730 121.974 120.200 0.073 0.000 2.170 67 E HA -0.021 4.419 4.350 0.150 0.000 0.191 67 E C 1.164 177.784 176.600 0.034 0.000 0.981 67 E CA 0.555 56.986 56.400 0.051 0.000 0.830 67 E CB 0.185 29.906 29.700 0.036 0.000 0.775 67 E HN 0.586 nan 8.360 nan 0.000 0.470 68 K N -0.018 120.401 120.400 0.032 0.000 4.501 68 K HA 0.234 4.643 4.320 0.150 0.000 0.199 68 K C 1.773 178.386 176.600 0.021 0.000 1.152 68 K CA 0.741 57.039 56.287 0.019 0.000 1.896 68 K CB -0.459 32.046 32.500 0.009 0.000 2.663 68 K HN 0.031 nan 8.250 nan 0.000 0.544 69 E N 1.210 121.419 120.200 0.015 0.000 2.536 69 E HA 0.085 4.524 4.350 0.150 0.000 0.220 69 E C 0.517 177.129 176.600 0.020 0.000 0.876 69 E CA -0.052 56.357 56.400 0.015 0.000 1.190 69 E CB 0.445 30.146 29.700 0.001 0.000 1.191 69 E HN 0.244 nan 8.360 nan 0.000 0.557 70 R N 1.808 122.317 120.500 0.016 0.000 2.207 70 R HA 0.303 4.733 4.340 0.150 0.000 0.334 70 R C -0.703 175.651 176.300 0.091 0.000 1.013 70 R CA -0.205 55.912 56.100 0.028 0.000 0.858 70 R CB 0.353 30.633 30.300 -0.033 0.000 1.094 70 R HN 0.267 nan 8.270 nan 0.000 0.457 71 E N 2.808 123.093 120.200 0.141 0.000 2.257 71 E HA 0.111 4.551 4.350 0.150 0.000 0.278 71 E C -0.510 176.245 176.600 0.258 0.000 1.049 71 E CA -0.142 56.372 56.400 0.190 0.000 0.876 71 E CB 0.926 30.785 29.700 0.264 0.000 1.035 71 E HN 0.711 nan 8.360 nan 0.000 0.419 72 S N 1.248 117.080 115.700 0.220 0.000 2.593 72 S HA 0.709 5.269 4.470 0.150 0.000 0.297 72 S C -0.350 174.308 174.600 0.096 0.000 1.112 72 S CA -1.121 57.220 58.200 0.235 0.000 1.043 72 S CB 1.923 65.257 63.200 0.222 0.000 1.054 72 S HN 0.529 nan 8.310 nan 0.000 0.516 73 A N 1.218 124.052 122.820 0.023 0.000 2.276 73 A HA 0.645 5.055 4.320 0.150 0.000 0.316 73 A C -0.176 177.372 177.584 -0.060 0.000 1.229 73 A CA -0.655 51.342 52.037 -0.068 0.000 0.851 73 A CB 0.461 19.444 19.000 -0.028 0.000 1.165 73 A HN 0.920 nan 8.150 nan 0.000 0.513 74 E N 4.026 124.188 120.200 -0.064 0.000 2.186 74 E HA 0.435 4.875 4.350 0.150 0.000 0.255 74 E C -2.762 173.812 176.600 -0.043 0.000 0.881 74 E CA -2.096 54.291 56.400 -0.023 0.000 0.752 74 E CB 1.253 30.995 29.700 0.070 0.000 1.176 74 E HN 0.346 nan 8.360 nan 0.000 0.421 75 P HA -0.062 nan 4.420 nan 0.000 0.264 75 P C -0.404 176.897 177.300 0.003 0.000 1.183 75 P CA 0.597 63.693 63.100 -0.007 0.000 0.763 75 P CB 0.859 32.569 31.700 0.016 0.000 0.807 76 E N 2.076 122.277 120.200 0.001 0.000 2.940 76 E HA 0.077 4.517 4.350 0.150 0.000 0.203 76 E C -0.439 176.166 176.600 0.008 0.000 0.995 76 E CA 0.069 56.472 56.400 0.005 0.000 1.396 76 E CB 0.578 30.273 29.700 -0.009 0.000 1.310 76 E HN 0.427 nan 8.360 nan 0.000 0.613 77 E N 1.233 121.432 120.200 -0.000 0.000 2.256 77 E HA 0.287 4.727 4.350 0.150 0.000 0.268 77 E C -1.450 175.140 176.600 -0.016 0.000 0.877 77 E CA -0.821 55.574 56.400 -0.008 0.000 0.757 77 E CB 2.638 32.331 29.700 -0.012 0.000 1.183 77 E HN 0.076 nan 8.360 nan 0.000 0.418 78 L N 4.072 125.269 121.223 -0.043 0.000 2.313 78 L HA 0.105 4.535 4.340 0.150 0.000 0.282 78 L C 0.158 176.988 176.870 -0.068 0.000 1.092 78 L CA 0.489 55.273 54.840 -0.093 0.000 0.831 78 L CB 1.081 42.993 42.059 -0.245 0.000 1.159 78 L HN 0.547 nan 8.230 nan 0.000 0.442 79 V N 3.112 122.999 119.914 -0.045 0.000 2.581 79 V HA 0.260 4.470 4.120 0.150 0.000 0.240 79 V C 0.225 176.302 176.094 -0.028 0.000 1.054 79 V CA 0.654 62.938 62.300 -0.028 0.000 1.076 79 V CB -0.220 31.597 31.823 -0.011 0.000 0.748 79 V HN 0.742 nan 8.190 nan 0.000 0.474 80 E N 0.720 120.905 120.200 -0.025 0.000 2.317 80 E HA 0.324 4.764 4.350 0.150 0.000 0.270 80 E C -2.912 173.687 176.600 -0.002 0.000 0.899 80 E CA -1.840 54.553 56.400 -0.012 0.000 0.814 80 E CB 2.127 31.833 29.700 0.010 0.000 1.296 80 E HN 0.181 nan 8.360 nan 0.000 0.404 81 P HA 0.055 nan 4.420 nan 0.000 0.271 81 P C 0.739 178.087 177.300 0.080 0.000 1.216 81 P CA -0.280 62.836 63.100 0.027 0.000 0.771 81 P CB 0.720 32.429 31.700 0.014 0.000 0.864 82 F N 4.130 124.056 119.950 -0.040 0.000 2.102 82 F HA -0.058 4.560 4.527 0.150 0.000 0.298 82 F C 0.789 176.558 175.800 -0.051 0.000 1.105 82 F CA 1.396 59.355 58.000 -0.069 0.000 1.239 82 F CB -0.126 38.795 39.000 -0.131 0.000 0.991 82 F HN 0.139 nan 8.300 nan 0.000 0.474 83 L N 0.733 121.909 121.223 -0.079 0.000 2.307 83 L HA 0.293 4.723 4.340 0.150 0.000 0.282 83 L C 0.792 177.661 176.870 -0.002 0.000 1.051 83 L CA 0.101 54.846 54.840 -0.158 0.000 0.804 83 L CB 1.505 43.405 42.059 -0.264 0.000 1.197 83 L HN 0.229 nan 8.230 nan 0.000 0.431 84 T N -0.606 113.979 114.554 0.051 0.000 2.964 84 T HA 0.157 4.597 4.350 0.150 0.000 0.161 84 T C 0.581 175.416 174.700 0.224 0.000 0.859 84 T CA -0.506 61.663 62.100 0.116 0.000 1.015 84 T CB 0.107 69.003 68.868 0.047 0.000 2.138 84 T HN 0.371 nan 8.240 nan 0.000 0.367 85 R N 1.566 122.150 120.500 0.141 0.000 2.298 85 R HA 0.541 4.971 4.340 0.150 0.000 0.310 85 R C -1.094 175.321 176.300 0.192 0.000 1.068 85 R CA -0.508 55.659 56.100 0.112 0.000 0.957 85 R CB -0.008 30.317 30.300 0.042 0.000 1.003 85 R HN 0.610 nan 8.270 nan 0.000 0.454 86 F N 1.730 121.685 119.950 0.008 0.000 2.745 86 F HA 0.608 5.226 4.527 0.150 0.000 0.316 86 F C -1.340 174.496 175.800 0.060 0.000 1.155 86 F CA -1.289 56.721 58.000 0.017 0.000 0.937 86 F CB 0.856 39.865 39.000 0.014 0.000 1.361 86 F HN 0.173 nan 8.300 nan 0.000 0.472 87 V N -0.671 119.374 119.914 0.218 0.000 2.960 87 V HA 1.107 5.317 4.120 0.150 0.000 0.315 87 V C -0.380 175.960 176.094 0.410 0.000 1.087 87 V CA -0.141 62.282 62.300 0.205 0.000 0.982 87 V CB 0.985 32.964 31.823 0.259 0.000 1.039 87 V HN 1.846 nan 8.190 nan 0.000 0.437 88 G N 1.674 110.676 108.800 0.336 0.000 2.441 88 G HA2 0.437 4.487 3.960 0.150 0.000 0.294 88 G HA3 0.437 4.487 3.960 0.150 0.000 0.294 88 G C -1.763 173.004 174.900 -0.221 0.000 1.393 88 G CA -1.118 44.061 45.100 0.132 0.000 0.796 88 G HN 0.875 nan 8.290 nan 0.000 0.494 89 K N 0.142 120.224 120.400 -0.531 0.000 2.130 89 K HA 0.635 5.044 4.320 0.150 0.000 0.268 89 K C -0.412 176.056 176.600 -0.219 0.000 0.983 89 K CA -0.715 55.231 56.287 -0.569 0.000 0.893 89 K CB 2.665 34.716 32.500 -0.748 0.000 1.066 89 K HN 0.230 nan 8.250 nan 0.000 0.450 90 V N 2.984 122.836 119.914 -0.104 0.000 2.607 90 V HA 0.108 4.318 4.120 0.150 0.000 0.289 90 V C 0.248 176.334 176.094 -0.014 0.000 1.053 90 V CA -0.277 62.006 62.300 -0.028 0.000 0.996 90 V CB 1.009 32.869 31.823 0.062 0.000 0.995 90 V HN 0.860 nan 8.190 nan 0.000 0.476 91 Q N 2.918 122.707 119.800 -0.019 0.000 2.683 91 Q HA 0.827 5.257 4.340 0.150 0.000 0.302 91 Q C 0.093 176.091 176.000 -0.003 0.000 1.042 91 Q CA -0.415 55.383 55.803 -0.008 0.000 0.773 91 Q CB 2.254 30.977 28.738 -0.024 0.000 1.508 91 Q HN 1.194 nan 8.270 nan 0.000 0.459 92 G N 0.550 109.351 108.800 0.002 0.000 2.615 92 G HA2 -0.109 3.941 3.960 0.150 0.000 0.218 92 G HA3 -0.109 3.941 3.960 0.150 0.000 0.218 92 G C -1.313 173.597 174.900 0.017 0.000 1.339 92 G CA -0.125 44.977 45.100 0.003 0.000 0.884 92 G HN 1.096 nan 8.290 nan 0.000 0.559 93 K N -1.131 119.279 120.400 0.017 0.000 2.575 93 K HA 0.669 5.079 4.320 0.150 0.000 0.279 93 K C 0.598 177.211 176.600 0.022 0.000 0.969 93 K CA 0.032 56.333 56.287 0.023 0.000 0.868 93 K CB 1.466 33.978 32.500 0.020 0.000 1.457 93 K HN 1.334 nan 8.250 nan 0.000 0.426 94 N N 0.537 119.251 118.700 0.024 0.000 1.268 94 N HA -0.504 4.325 4.740 0.150 0.000 0.142 94 N C 1.438 176.963 175.510 0.025 0.000 0.425 94 N CA 4.059 57.122 53.050 0.021 0.000 1.060 94 N CB -1.536 36.959 38.487 0.014 0.000 1.440 94 N HN 0.984 nan 8.380 nan 0.000 0.445 95 D N -0.178 120.235 120.400 0.021 0.000 2.370 95 D HA -0.230 4.499 4.640 0.150 0.000 0.190 95 D C 0.862 177.182 176.300 0.032 0.000 1.019 95 D CA 2.625 56.641 54.000 0.025 0.000 0.869 95 D CB -0.399 40.414 40.800 0.021 0.000 0.944 95 D HN 0.682 nan 8.370 nan 0.000 0.456 96 R N -1.003 119.512 120.500 0.025 0.000 2.539 96 R HA 0.540 4.970 4.340 0.150 0.000 0.295 96 R C -1.108 175.191 176.300 -0.002 0.000 1.138 96 R CA -0.448 55.664 56.100 0.020 0.000 0.936 96 R CB 1.856 32.167 30.300 0.017 0.000 1.182 96 R HN 0.327 nan 8.270 nan 0.000 0.459 97 L N 2.209 123.424 121.223 -0.012 0.000 2.350 97 L HA 0.706 5.136 4.340 0.150 0.000 0.275 97 L C 0.291 177.109 176.870 -0.087 0.000 1.099 97 L CA -0.415 54.401 54.840 -0.040 0.000 0.808 97 L CB 1.499 43.526 42.059 -0.053 0.000 1.149 97 L HN 0.664 nan 8.230 nan 0.000 0.442 98 A N 4.313 127.085 122.820 -0.080 0.000 2.485 98 A HA 0.822 5.232 4.320 0.150 0.000 0.292 98 A C -1.236 176.303 177.584 -0.074 0.000 1.147 98 A CA -0.537 51.443 52.037 -0.096 0.000 0.750 98 A CB 2.076 21.026 19.000 -0.084 0.000 1.331 98 A HN 0.668 nan 8.150 nan 0.000 0.419 99 I N 1.034 121.573 120.570 -0.052 0.000 2.534 99 I HA 0.482 4.742 4.170 0.150 0.000 0.288 99 I C -1.524 174.603 176.117 0.017 0.000 1.077 99 I CA -0.770 60.523 61.300 -0.013 0.000 1.051 99 I CB 1.845 39.861 38.000 0.027 0.000 1.234 99 I HN 0.382 nan 8.210 nan 0.000 0.425 100 V N 9.156 129.061 119.914 -0.015 0.000 2.407 100 V HA 0.363 4.573 4.120 0.150 0.000 0.278 100 V C -2.136 173.986 176.094 0.046 0.000 1.037 100 V CA -1.592 60.696 62.300 -0.021 0.000 0.900 100 V CB 1.146 32.936 31.823 -0.055 0.000 0.983 100 V HN 0.612 nan 8.190 nan 0.000 0.459 101 P HA 0.095 nan 4.420 nan 0.000 0.271 101 P C -0.531 176.862 177.300 0.154 0.000 1.216 101 P CA -0.242 62.937 63.100 0.130 0.000 0.776 101 P CB 0.428 32.028 31.700 -0.166 0.000 0.881 102 D N 2.107 122.666 120.400 0.266 0.000 2.551 102 D HA 0.027 4.757 4.640 0.150 0.000 0.223 102 D C -0.706 175.725 176.300 0.219 0.000 1.144 102 D CA 0.340 54.495 54.000 0.257 0.000 1.025 102 D CB -0.776 40.290 40.800 0.444 0.000 1.085 102 D HN 0.248 nan 8.370 nan 0.000 0.506 103 H N 2.276 121.383 119.070 0.062 0.000 2.954 103 H HA 0.239 4.885 4.556 0.150 0.000 0.361 103 H C -2.201 173.107 175.328 -0.033 0.000 1.122 103 H CA -1.653 54.421 56.048 0.044 0.000 1.217 103 H CB 2.359 32.187 29.762 0.109 0.000 1.776 103 H HN 0.055 nan 8.280 nan 0.000 0.533 104 P HA -0.053 nan 4.420 nan 0.000 0.221 104 P C 0.959 178.219 177.300 -0.067 0.000 1.145 104 P CA 1.064 64.028 63.100 -0.226 0.000 0.795 104 P CB 0.322 31.832 31.700 -0.317 0.000 0.775 105 L N -2.575 118.781 121.223 0.222 0.000 2.728 105 L HA 0.210 4.639 4.340 0.150 0.000 0.238 105 L C 0.348 177.143 176.870 -0.126 0.000 1.143 105 L CA -0.026 54.757 54.840 -0.095 0.000 0.937 105 L CB -0.007 41.725 42.059 -0.545 0.000 1.225 105 L HN -0.140 nan 8.230 nan 0.000 0.507 106 L N -0.070 121.163 121.223 0.017 0.000 2.325 106 L HA 0.400 4.830 4.340 0.150 0.000 0.281 106 L C 0.576 177.411 176.870 -0.059 0.000 1.004 106 L CA -0.136 54.662 54.840 -0.070 0.000 0.823 106 L CB 1.892 43.904 42.059 -0.079 0.000 1.236 106 L HN -0.005 nan 8.230 nan 0.000 0.415 107 K N 0.226 120.571 120.400 -0.091 0.000 2.491 107 K HA 0.169 4.579 4.320 0.150 0.000 0.211 107 K C -0.522 176.029 176.600 -0.082 0.000 1.210 107 K CA -0.306 55.935 56.287 -0.076 0.000 1.003 107 K CB 0.977 33.433 32.500 -0.074 0.000 1.009 107 K HN 0.560 nan 8.250 nan 0.000 0.577 108 D N 1.779 122.114 120.400 -0.109 0.000 2.308 108 D HA 0.159 4.889 4.640 0.150 0.000 0.251 108 D C -0.306 175.926 176.300 -0.114 0.000 1.127 108 D CA 0.062 53.998 54.000 -0.107 0.000 0.876 108 D CB 1.529 42.251 40.800 -0.129 0.000 1.176 108 D HN 0.114 nan 8.370 nan 0.000 0.446 109 A N 3.231 126.002 122.820 -0.082 0.000 2.488 109 A HA 0.299 4.709 4.320 0.150 0.000 0.249 109 A C 0.314 177.848 177.584 -0.083 0.000 1.083 109 A CA -0.149 51.844 52.037 -0.074 0.000 0.768 109 A CB 0.002 18.967 19.000 -0.058 0.000 1.017 109 A HN 0.570 nan 8.150 nan 0.000 0.496 110 I N 4.323 124.844 120.570 -0.083 0.000 2.339 110 I HA 0.263 4.523 4.170 0.150 0.000 0.290 110 I C -2.176 173.852 176.117 -0.150 0.000 0.994 110 I CA -2.246 59.003 61.300 -0.085 0.000 1.191 110 I CB 1.810 39.778 38.000 -0.053 0.000 1.343 110 I HN 0.406 nan 8.210 nan 0.000 0.458 111 P HA -0.062 nan 4.420 nan 0.000 0.261 111 P C -0.839 176.002 177.300 -0.764 0.000 1.173 111 P CA -0.008 62.762 63.100 -0.551 0.000 0.760 111 P CB 0.201 31.433 31.700 -0.779 0.000 0.783 112 C N 2.230 121.238 119.300 -0.486 0.000 3.239 112 C HA 0.900 5.450 4.460 0.150 0.000 0.317 112 C C -0.805 174.187 174.990 0.003 0.000 1.310 112 C CA -1.032 57.869 59.018 -0.195 0.000 1.371 112 C CB 2.222 29.888 27.740 -0.123 0.000 1.714 112 C HN 0.777 nan 8.230 nan 0.000 0.473 113 R N 1.607 122.180 120.500 0.121 0.000 2.808 113 R HA 0.867 5.297 4.340 0.150 0.000 0.272 113 R C -0.440 175.861 176.300 0.002 0.000 0.995 113 R CA -0.239 55.905 56.100 0.073 0.000 0.917 113 R CB 1.545 31.934 30.300 0.147 0.000 1.217 113 R HN 1.461 nan 8.270 nan 0.000 0.471 114 A N 1.304 124.126 122.820 0.003 0.000 2.407 114 A HA 0.556 4.965 4.320 0.150 0.000 0.248 114 A C 0.280 177.912 177.584 0.080 0.000 1.082 114 A CA -0.036 52.034 52.037 0.056 0.000 0.785 114 A CB 0.188 19.322 19.000 0.223 0.000 1.020 114 A HN 0.909 nan 8.150 nan 0.000 0.489 115 A N 2.175 125.048 122.820 0.087 0.000 2.332 115 A HA 0.474 4.884 4.320 0.150 0.000 0.258 115 A C 0.638 178.266 177.584 0.072 0.000 1.087 115 A CA -0.544 51.535 52.037 0.069 0.000 0.802 115 A CB 0.109 19.147 19.000 0.063 0.000 1.042 115 A HN 0.850 nan 8.150 nan 0.000 0.489 116 R N 0.312 120.842 120.500 0.051 0.000 2.504 116 R HA 0.265 4.695 4.340 0.150 0.000 0.291 116 R C 1.261 177.588 176.300 0.046 0.000 0.974 116 R CA 1.235 57.361 56.100 0.043 0.000 1.077 116 R CB -0.164 30.153 30.300 0.029 0.000 0.926 116 R HN 1.486 nan 8.270 nan 0.000 0.407 117 G N 1.909 110.736 108.800 0.046 0.000 2.279 117 G HA2 -0.269 3.781 3.960 0.150 0.000 0.223 117 G HA3 -0.269 3.781 3.960 0.150 0.000 0.223 117 G C -0.209 174.725 174.900 0.057 0.000 1.015 117 G CA -0.192 44.933 45.100 0.043 0.000 0.621 117 G HN 0.476 nan 8.290 nan 0.000 0.506 118 L N 2.318 123.592 121.223 0.085 0.000 2.325 118 L HA 0.621 5.051 4.340 0.150 0.000 0.284 118 L C 0.543 177.479 176.870 0.111 0.000 1.089 118 L CA -0.272 54.640 54.840 0.119 0.000 0.836 118 L CB 0.455 42.630 42.059 0.193 0.000 1.184 118 L HN 0.141 nan 8.230 nan 0.000 0.444 119 N N 2.209 120.951 118.700 0.069 0.000 2.230 119 N HA -0.000 4.830 4.740 0.150 0.000 0.202 119 N C -0.236 175.261 175.510 -0.021 0.000 1.119 119 N CA -0.017 53.049 53.050 0.028 0.000 0.851 119 N CB -0.277 38.213 38.487 0.005 0.000 0.990 119 N HN 0.734 nan 8.380 nan 0.000 0.497 120 H N 1.495 120.481 119.070 -0.141 0.000 2.815 120 H HA 0.283 4.929 4.556 0.150 0.000 0.350 120 H C 0.169 175.295 175.328 -0.337 0.000 1.080 120 H CA 0.248 56.084 56.048 -0.352 0.000 1.433 120 H CB 0.536 29.918 29.762 -0.632 0.000 1.432 120 H HN 0.168 nan 8.280 nan 0.000 0.592 121 E N 5.695 125.208 120.200 -1.146 0.000 2.014 121 E HA 0.246 4.686 4.350 0.150 0.000 0.275 121 E C -0.972 175.115 176.600 -0.856 0.000 0.997 121 E CA -0.644 55.345 56.400 -0.684 0.000 0.804 121 E CB -0.285 29.160 29.700 -0.427 0.000 1.090 121 E HN 0.536 nan 8.360 nan 0.000 0.401 122 F N 1.787 121.569 119.950 -0.279 0.000 2.533 122 F HA 0.432 5.049 4.527 0.150 0.000 0.378 122 F C 1.370 177.158 175.800 -0.021 0.000 1.070 122 F CA 0.623 58.617 58.000 -0.011 0.000 1.172 122 F CB 0.599 39.676 39.000 0.129 0.000 1.085 122 F HN 0.596 nan 8.300 nan 0.000 0.552 123 K N 2.387 122.874 120.400 0.144 0.000 2.148 123 K HA 0.429 4.839 4.320 0.150 0.000 0.239 123 K C -0.149 176.561 176.600 0.183 0.000 1.018 123 K CA -0.864 55.498 56.287 0.125 0.000 0.923 123 K CB 0.246 32.791 32.500 0.076 0.000 1.117 123 K HN 0.643 nan 8.250 nan 0.000 0.477 124 E N -0.252 120.021 120.200 0.123 0.000 2.299 124 E HA 0.396 4.836 4.350 0.150 0.000 0.272 124 E C 0.989 177.657 176.600 0.113 0.000 1.043 124 E CA 1.426 57.885 56.400 0.099 0.000 0.895 124 E CB 0.025 29.763 29.700 0.063 0.000 1.011 124 E HN 1.164 nan 8.360 nan 0.000 0.432 125 G N 3.955 112.803 108.800 0.079 0.000 2.194 125 G HA2 -0.240 3.810 3.960 0.150 0.000 0.236 125 G HA3 -0.240 3.810 3.960 0.150 0.000 0.236 125 G C -0.330 174.613 174.900 0.071 0.000 0.987 125 G CA -0.093 45.032 45.100 0.041 0.000 0.635 125 G HN 0.640 nan 8.290 nan 0.000 0.520 126 D N 0.550 121.086 120.400 0.228 0.000 2.487 126 D HA 0.287 5.017 4.640 0.150 0.000 0.243 126 D C 0.492 176.943 176.300 0.252 0.000 1.154 126 D CA 0.211 54.454 54.000 0.406 0.000 0.876 126 D CB 0.221 41.422 40.800 0.669 0.000 1.161 126 D HN 0.336 nan 8.370 nan 0.000 0.478 127 W N 1.717 123.125 121.300 0.181 0.000 2.238 127 W HA 0.479 5.229 4.660 0.151 0.000 0.321 127 W C 0.382 176.979 176.519 0.130 0.000 1.293 127 W CA -0.426 56.983 57.345 0.108 0.000 1.204 127 W CB 0.767 30.235 29.460 0.015 0.000 1.167 127 W HN 0.284 nan 8.180 nan 0.000 0.553 128 A N 2.157 125.189 122.820 0.354 0.000 2.454 128 A HA 0.779 5.189 4.320 0.150 0.000 0.302 128 A C -1.233 176.416 177.584 0.108 0.000 1.079 128 A CA -0.839 51.354 52.037 0.260 0.000 0.731 128 A CB 0.997 20.099 19.000 0.170 0.000 1.299 128 A HN 0.335 nan 8.150 nan 0.000 0.413 129 V N 0.873 120.812 119.914 0.042 0.000 2.583 129 V HA 0.609 4.819 4.120 0.150 0.000 0.287 129 V C 0.685 176.651 176.094 -0.213 0.000 1.051 129 V CA 0.476 62.728 62.300 -0.079 0.000 1.010 129 V CB 0.854 32.659 31.823 -0.031 0.000 0.988 129 V HN 1.324 nan 8.190 nan 0.000 0.478 130 A N 4.263 126.786 122.820 -0.495 0.000 2.479 130 A HA 0.890 5.300 4.320 0.150 0.000 0.296 130 A C -0.630 176.675 177.584 -0.466 0.000 1.121 130 A CA -0.728 50.953 52.037 -0.593 0.000 0.743 130 A CB 1.765 20.187 19.000 -0.964 0.000 1.323 130 A HN 0.793 nan 8.150 nan 0.000 0.415 134 R N 1.034 121.676 120.500 0.236 0.000 2.686 134 R HA 0.502 4.932 4.340 0.150 0.000 0.283 134 R C -1.041 175.392 176.300 0.221 0.000 0.978 134 R CA -0.589 55.626 56.100 0.192 0.000 0.897 134 R CB 2.026 32.428 30.300 0.170 0.000 1.192 134 R HN 0.074 nan 8.270 nan 0.000 0.457 135 H N 2.861 121.925 119.070 -0.010 0.000 2.856 135 H HA 0.256 4.902 4.556 0.150 0.000 0.355 135 H C -2.116 173.055 175.328 -0.262 0.000 1.079 135 H CA -1.701 54.257 56.048 -0.151 0.000 1.240 135 H CB 2.856 32.630 29.762 0.020 0.000 1.701 135 H HN 0.092 nan 8.280 nan 0.000 0.527 136 P HA -0.094 nan 4.420 nan 0.000 0.218 136 P C 1.542 178.809 177.300 -0.054 0.000 1.146 136 P CA 0.928 63.838 63.100 -0.317 0.000 0.813 136 P CB 0.360 31.775 31.700 -0.474 0.000 0.778 137 L N -1.098 120.249 121.223 0.207 0.000 2.492 137 L HA -0.011 4.419 4.340 0.150 0.000 0.223 137 L C 1.501 178.424 176.870 0.088 0.000 1.132 137 L CA 0.934 55.880 54.840 0.176 0.000 0.850 137 L CB -0.384 41.798 42.059 0.206 0.000 0.966 137 L HN 0.003 nan 8.230 nan 0.000 0.454 138 K N -0.055 120.403 120.400 0.096 0.000 2.469 138 K HA 0.224 4.634 4.320 0.150 0.000 0.201 138 K C 1.113 177.723 176.600 0.016 0.000 1.028 138 K CA 0.545 56.853 56.287 0.035 0.000 1.170 138 K CB 0.575 33.097 32.500 0.036 0.000 0.874 138 K HN 0.287 nan 8.250 nan 0.000 0.507 139 G N 1.616 110.420 108.800 0.007 0.000 2.175 139 G HA2 -0.185 3.864 3.960 0.150 0.000 0.244 139 G HA3 -0.185 3.864 3.960 0.150 0.000 0.244 139 G C -0.389 174.499 174.900 -0.021 0.000 0.982 139 G CA -0.275 44.820 45.100 -0.008 0.000 0.641 139 G HN 0.312 nan 8.290 nan 0.000 0.527 140 D N -0.121 120.261 120.400 -0.030 0.000 2.302 140 D HA 0.304 5.034 4.640 0.150 0.000 0.248 140 D C 1.420 177.679 176.300 -0.070 0.000 1.094 140 D CA -0.525 53.451 54.000 -0.040 0.000 0.897 140 D CB 1.068 41.851 40.800 -0.029 0.000 1.200 140 D HN 0.173 nan 8.370 nan 0.000 0.429 141 R N 1.109 121.582 120.500 -0.045 0.000 2.127 141 R HA -0.137 4.293 4.340 0.150 0.000 0.238 141 R C 0.486 176.740 176.300 -0.076 0.000 1.134 141 R CA 1.032 57.104 56.100 -0.046 0.000 0.975 141 R CB 0.214 30.506 30.300 -0.013 0.000 0.865 141 R HN 0.545 nan 8.270 nan 0.000 0.447 142 S N -2.318 113.342 115.700 -0.066 0.000 2.672 142 S HA 0.326 4.886 4.470 0.150 0.000 0.271 142 S C -0.701 173.833 174.600 -0.111 0.000 1.171 142 S CA -1.066 57.059 58.200 -0.124 0.000 0.817 142 S CB 0.444 63.651 63.200 0.012 0.000 1.150 142 S HN 0.062 nan 8.310 nan 0.000 0.478 143 F N 1.188 121.138 119.950 0.000 0.000 2.529 143 F HA 0.481 5.098 4.527 0.150 0.000 0.365 143 F C 0.142 175.998 175.800 0.093 0.000 1.102 143 F CA 0.535 58.541 58.000 0.010 0.000 1.271 143 F CB 0.318 39.277 39.000 -0.068 0.000 1.120 143 F HN 0.594 nan 8.300 nan 0.000 0.579 144 Y N 1.200 121.633 120.300 0.222 0.000 2.513 144 Y HA 0.650 5.289 4.550 0.149 0.000 0.340 144 Y C -0.802 175.198 175.900 0.166 0.000 1.055 144 Y CA -1.017 57.174 58.100 0.152 0.000 1.020 144 Y CB 1.720 40.234 38.460 0.090 0.000 1.301 144 Y HN 0.675 nan 8.280 nan 0.000 0.453 145 A N 3.200 126.208 122.820 0.314 0.000 2.469 145 A HA 0.669 5.079 4.320 0.150 0.000 0.299 145 A C -1.598 176.123 177.584 0.228 0.000 1.098 145 A CA -0.804 51.397 52.037 0.273 0.000 0.737 145 A CB 1.881 21.043 19.000 0.271 0.000 1.312 145 A HN 0.700 nan 8.150 nan 0.000 0.414 146 E N 1.074 121.353 120.200 0.132 0.000 2.158 146 E HA 0.528 4.968 4.350 0.150 0.000 0.271 146 E C -1.225 175.356 176.600 -0.031 0.000 0.911 146 E CA -0.523 55.918 56.400 0.068 0.000 0.767 146 E CB 0.919 30.661 29.700 0.070 0.000 1.120 146 E HN 0.600 nan 8.360 nan 0.000 0.405 147 L N 4.287 125.457 121.223 -0.089 0.000 2.418 147 L HA 0.130 4.559 4.340 0.150 0.000 0.274 147 L C 1.453 178.318 176.870 -0.008 0.000 1.135 147 L CA 0.041 54.793 54.840 -0.147 0.000 0.870 147 L CB 0.518 42.325 42.059 -0.419 0.000 1.154 147 L HN 0.734 nan 8.230 nan 0.000 0.462 148 T N -0.822 113.738 114.554 0.010 0.000 3.014 148 T HA 0.093 4.532 4.350 0.150 0.000 0.250 148 T C 0.454 175.216 174.700 0.105 0.000 1.060 148 T CA -0.044 62.088 62.100 0.053 0.000 1.040 148 T CB 0.499 69.377 68.868 0.017 0.000 0.971 148 T HN 0.587 nan 8.240 nan 0.000 0.497 149 Q N -0.350 119.541 119.800 0.152 0.000 2.438 149 Q HA 0.361 4.791 4.340 0.150 0.000 0.272 149 Q C -2.235 173.940 176.000 0.291 0.000 0.994 149 Q CA -0.941 54.967 55.803 0.174 0.000 0.887 149 Q CB 2.253 31.037 28.738 0.077 0.000 1.432 149 Q HN 0.426 nan 8.270 nan 0.000 0.392 150 Y N 4.032 124.377 120.300 0.074 0.000 2.310 150 Y HA 0.396 5.036 4.550 0.149 0.000 0.326 150 Y C -0.114 175.740 175.900 -0.076 0.000 1.151 150 Y CA 0.145 58.203 58.100 -0.070 0.000 1.195 150 Y CB 0.765 38.794 38.460 -0.719 0.000 1.210 150 Y HN 0.731 nan 8.280 nan 0.000 0.483 151 I N 2.106 122.347 120.570 -0.549 0.000 3.132 151 I HA 0.175 4.435 4.170 0.150 0.000 0.255 151 I C 0.426 176.084 176.117 -0.765 0.000 1.118 151 I CA 0.505 61.531 61.300 -0.456 0.000 1.463 151 I CB 0.545 38.468 38.000 -0.128 0.000 1.356 151 I HN 0.651 nan 8.210 nan 0.000 0.463 152 T N -0.318 113.713 114.554 -0.871 0.000 2.722 152 T HA 0.316 4.756 4.350 0.150 0.000 0.314 152 T C -1.427 173.255 174.700 -0.031 0.000 1.675 152 T CA -0.807 60.987 62.100 -0.510 0.000 1.003 152 T CB 0.507 69.267 68.868 -0.180 0.000 1.602 152 T HN 0.102 nan 8.240 nan 0.000 0.496 153 F N 0.858 120.910 119.950 0.170 0.000 2.440 153 F HA 0.638 5.254 4.527 0.149 0.000 0.323 153 F C 1.443 177.424 175.800 0.301 0.000 1.192 153 F CA -0.080 58.098 58.000 0.296 0.000 1.252 153 F CB -0.044 39.101 39.000 0.242 0.000 1.214 153 F HN 0.590 nan 8.300 nan 0.000 0.578 154 G N -0.005 109.017 108.800 0.369 0.000 2.402 154 G HA2 -0.196 3.854 3.960 0.150 0.000 0.216 154 G HA3 -0.196 3.854 3.960 0.150 0.000 0.216 154 G C 1.010 176.000 174.900 0.150 0.000 1.162 154 G CA 0.738 45.998 45.100 0.267 0.000 0.777 154 G HN 0.709 nan 8.290 nan 0.000 0.539 155 D N 0.605 121.104 120.400 0.164 0.000 2.348 155 D HA -0.012 4.718 4.640 0.150 0.000 0.216 155 D C 0.589 176.767 176.300 -0.203 0.000 0.970 155 D CA 0.174 54.230 54.000 0.093 0.000 0.889 155 D CB -0.111 40.859 40.800 0.282 0.000 0.912 155 D HN 0.176 nan 8.370 nan 0.000 0.524 156 D N 0.069 120.014 120.400 -0.758 0.000 2.472 156 D HA -0.086 4.644 4.640 0.150 0.000 0.248 156 D C 1.017 177.050 176.300 -0.446 0.000 1.174 156 D CA 0.405 53.839 54.000 -0.944 0.000 0.883 156 D CB 0.350 40.431 40.800 -1.198 0.000 1.149 156 D HN 0.301 nan 8.370 nan 0.000 0.488 157 H N 2.857 121.662 119.070 -0.442 0.000 2.489 157 H HA -0.103 4.542 4.556 0.149 0.000 0.293 157 H C 0.952 175.835 175.328 -0.743 0.000 1.066 157 H CA 0.675 56.351 56.048 -0.619 0.000 1.305 157 H CB 0.103 29.352 29.762 -0.854 0.000 1.386 157 H HN 0.437 nan 8.280 nan 0.000 0.551 158 F N -0.578 119.291 119.950 -0.136 0.000 2.692 158 F HA 0.028 4.646 4.527 0.152 0.000 0.303 158 F C 1.782 177.270 175.800 -0.519 0.000 1.114 158 F CA -0.343 57.466 58.000 -0.319 0.000 1.361 158 F CB 0.057 38.706 39.000 -0.585 0.000 1.063 158 F HN -0.053 nan 8.300 nan 0.000 0.550 159 V N 1.773 121.428 119.914 -0.432 0.000 2.277 159 V HA -0.295 3.915 4.120 0.150 0.000 0.253 159 V C -0.144 175.311 176.094 -1.065 0.000 1.067 159 V CA 2.282 64.149 62.300 -0.721 0.000 1.047 159 V CB -1.350 29.985 31.823 -0.813 0.000 0.649 159 V HN 0.228 nan 8.190 nan 0.000 0.447 160 P HA -0.173 nan 4.420 nan 0.000 0.216 160 P C 1.541 178.250 177.300 -0.985 0.000 1.150 160 P CA 1.792 63.931 63.100 -1.602 0.000 0.843 160 P CB -0.123 30.659 31.700 -1.530 0.000 0.787 161 W N -1.962 118.904 121.300 -0.722 0.000 2.443 161 W HA -0.007 4.743 4.660 0.150 0.000 0.296 161 W C 2.299 178.579 176.519 -0.398 0.000 1.202 161 W CA 0.730 57.706 57.345 -0.614 0.000 1.312 161 W CB -1.325 27.573 29.460 -0.937 0.000 1.120 161 W HN 0.077 nan 8.180 nan 0.000 0.536 162 W N 0.385 121.615 121.300 -0.118 0.000 2.408 162 W HA -0.160 4.589 4.660 0.148 0.000 0.311 162 W C 2.267 178.643 176.519 -0.239 0.000 1.190 162 W CA 0.343 57.583 57.345 -0.176 0.000 1.321 162 W CB -1.104 28.218 29.460 -0.230 0.000 1.143 162 W HN -0.430 nan 8.180 nan 0.000 0.501 163 V N 0.678 120.469 119.914 -0.205 0.000 2.332 163 V HA -0.316 3.894 4.120 0.150 0.000 0.248 163 V C 2.054 178.073 176.094 -0.125 0.000 1.055 163 V CA 2.406 64.530 62.300 -0.292 0.000 1.038 163 V CB -1.453 29.929 31.823 -0.735 0.000 0.651 163 V HN 0.240 nan 8.190 nan 0.000 0.450 164 T N 0.320 114.808 114.554 -0.109 0.000 2.746 164 T HA -0.101 4.339 4.350 0.150 0.000 0.267 164 T C 1.890 176.639 174.700 0.082 0.000 1.039 164 T CA 1.470 63.572 62.100 0.004 0.000 1.142 164 T CB -0.273 68.594 68.868 -0.002 0.000 0.866 164 T HN 0.303 nan 8.240 nan 0.000 0.444 165 L N 0.623 121.911 121.223 0.108 0.000 2.056 165 L HA -0.039 4.391 4.340 0.150 0.000 0.207 165 L C 3.029 179.961 176.870 0.104 0.000 1.078 165 L CA 1.146 56.081 54.840 0.158 0.000 0.749 165 L CB -0.616 41.584 42.059 0.234 0.000 0.901 165 L HN 0.238 nan 8.230 nan 0.000 0.433 166 A N 0.916 123.773 122.820 0.062 0.000 1.898 166 A HA -0.217 4.193 4.320 0.150 0.000 0.216 166 A C 2.374 179.953 177.584 -0.007 0.000 1.181 166 A CA 1.694 53.747 52.037 0.027 0.000 0.620 166 A CB -0.603 18.404 19.000 0.013 0.000 0.819 166 A HN 0.508 nan 8.150 nan 0.000 0.442 167 R N -1.331 119.129 120.500 -0.066 0.000 2.152 167 R HA -0.160 4.270 4.340 0.150 0.000 0.232 167 R C 1.159 177.295 176.300 -0.274 0.000 1.117 167 R CA 1.815 57.809 56.100 -0.176 0.000 0.981 167 R CB -0.643 29.506 30.300 -0.252 0.000 0.870 167 R HN 0.623 nan 8.270 nan 0.000 0.451 168 H N 0.028 119.128 119.070 0.050 0.000 2.586 168 H HA 0.090 4.736 4.556 0.149 0.000 0.273 168 H C -0.009 175.341 175.328 0.037 0.000 0.997 168 H CA 0.171 56.244 56.048 0.041 0.000 1.177 168 H CB 0.123 29.908 29.762 0.038 0.000 1.471 168 H HN 0.240 nan 8.280 nan 0.000 0.538 169 N N 0.936 119.694 118.700 0.097 0.000 2.726 169 N HA -0.173 4.657 4.740 0.150 0.000 0.253 169 N C -1.307 174.252 175.510 0.081 0.000 1.059 169 N CA 0.185 53.277 53.050 0.070 0.000 0.701 169 N CB -1.617 36.901 38.487 0.051 0.000 0.899 169 N HN 0.294 nan 8.380 nan 0.000 0.548 170 L N 0.452 121.733 121.223 0.097 0.000 2.333 170 L HA 0.522 4.952 4.340 0.150 0.000 0.269 170 L C 0.691 177.606 176.870 0.074 0.000 1.010 170 L CA -1.212 53.678 54.840 0.085 0.000 0.818 170 L CB 1.196 43.317 42.059 0.102 0.000 1.306 170 L HN 0.113 nan 8.230 nan 0.000 0.430 171 E N 0.867 121.095 120.200 0.047 0.000 2.437 171 E HA 0.001 4.441 4.350 0.150 0.000 0.263 171 E C -0.031 176.616 176.600 0.079 0.000 1.030 171 E CA 0.476 56.900 56.400 0.039 0.000 0.934 171 E CB 0.409 30.111 29.700 0.004 0.000 0.943 171 E HN 0.346 nan 8.360 nan 0.000 0.444 172 K N 1.470 121.929 120.400 0.098 0.000 2.355 172 K HA 0.081 4.491 4.320 0.150 0.000 0.198 172 K C 0.071 176.789 176.600 0.197 0.000 1.039 172 K CA 0.164 56.578 56.287 0.212 0.000 1.075 172 K CB 0.494 33.105 32.500 0.184 0.000 0.870 172 K HN 0.619 nan 8.250 nan 0.000 0.540 173 E N -0.169 120.073 120.200 0.071 0.000 2.456 173 E HA 0.582 5.022 4.350 0.150 0.000 0.276 173 E C -1.238 175.341 176.600 -0.035 0.000 0.981 173 E CA -1.157 55.260 56.400 0.028 0.000 0.814 173 E CB 1.156 30.875 29.700 0.032 0.000 1.382 173 E HN -0.069 nan 8.360 nan 0.000 0.459 174 A N 1.329 124.115 122.820 -0.057 0.000 2.466 174 A HA 0.368 4.778 4.320 0.150 0.000 0.238 174 A C -2.015 175.539 177.584 -0.050 0.000 1.074 174 A CA -0.889 51.106 52.037 -0.071 0.000 0.774 174 A CB -0.613 18.342 19.000 -0.074 0.000 1.015 174 A HN 0.507 nan 8.150 nan 0.000 0.498 175 P HA 0.179 nan 4.420 nan 0.000 0.271 175 P C -0.983 176.295 177.300 -0.037 0.000 1.216 175 P CA -0.009 63.066 63.100 -0.041 0.000 0.776 175 P CB 0.679 32.353 31.700 -0.043 0.000 0.881 176 D N 0.901 121.283 120.400 -0.029 0.000 2.168 176 D HA 0.598 5.328 4.640 0.150 0.000 0.246 176 D C -0.543 175.745 176.300 -0.019 0.000 1.050 176 D CA -0.444 53.541 54.000 -0.025 0.000 0.857 176 D CB 0.930 41.717 40.800 -0.022 0.000 1.169 176 D HN 0.515 nan 8.370 nan 0.000 0.453 177 G N 1.748 110.538 108.800 -0.017 0.000 2.635 177 G HA2 0.342 4.392 3.960 0.150 0.000 0.295 177 G HA3 0.342 4.392 3.960 0.150 0.000 0.295 177 G C -0.898 174.001 174.900 -0.001 0.000 1.359 177 G CA -0.665 44.431 45.100 -0.007 0.000 1.232 177 G HN 0.430 nan 8.290 nan 0.000 0.597 178 V N 1.338 121.255 119.914 0.005 0.000 2.678 178 V HA 0.183 4.393 4.120 0.150 0.000 0.304 178 V C 1.453 177.561 176.094 0.023 0.000 1.086 178 V CA 1.099 63.406 62.300 0.011 0.000 1.246 178 V CB 0.827 32.660 31.823 0.016 0.000 0.861 178 V HN 1.246 nan 8.190 nan 0.000 0.491 179 A N 5.359 128.189 122.820 0.015 0.000 2.981 179 A HA 0.401 4.811 4.320 0.150 0.000 0.280 179 A C 0.941 178.573 177.584 0.080 0.000 1.743 179 A CA -0.270 51.782 52.037 0.024 0.000 1.430 179 A CB -0.783 18.204 19.000 -0.022 0.000 1.085 179 A HN 0.903 nan 8.150 nan 0.000 0.597 180 T N 0.650 115.272 114.554 0.114 0.000 2.889 180 T HA 0.527 4.967 4.350 0.150 0.000 0.340 180 T C 1.102 175.921 174.700 0.199 0.000 1.145 180 T CA 0.159 62.331 62.100 0.120 0.000 0.986 180 T CB 0.173 69.091 68.868 0.083 0.000 1.461 180 T HN 0.852 nan 8.240 nan 0.000 0.541 184 D N 3.156 123.488 120.400 -0.114 0.000 2.225 184 D HA 0.420 5.150 4.640 0.150 0.000 0.248 184 D C -0.485 175.777 176.300 -0.062 0.000 1.096 184 D CA 0.086 54.032 54.000 -0.090 0.000 0.863 184 D CB 1.670 42.426 40.800 -0.074 0.000 1.156 184 D HN 0.435 nan 8.370 nan 0.000 0.450 185 E N 1.129 121.297 120.200 -0.054 0.000 2.580 185 E HA 0.353 4.792 4.350 0.150 0.000 0.178 185 E C 0.142 176.725 176.600 -0.028 0.000 0.738 185 E CA -0.771 55.608 56.400 -0.036 0.000 0.967 185 E CB -0.175 29.507 29.700 -0.030 0.000 1.942 185 E HN 0.386 nan 8.360 nan 0.000 0.376 186 G N 1.559 110.347 108.800 -0.020 0.000 3.316 186 G HA2 0.329 4.379 3.960 0.150 0.000 0.255 186 G HA3 0.329 4.379 3.960 0.150 0.000 0.255 186 G C -0.093 174.802 174.900 -0.010 0.000 0.880 186 G CA -0.069 45.022 45.100 -0.014 0.000 1.956 186 G HN 0.016 nan 8.290 nan 0.000 0.634 187 L N 1.542 122.755 121.223 -0.017 0.000 2.399 187 L HA 0.152 4.582 4.340 0.150 0.000 0.257 187 L C 0.141 177.010 176.870 -0.002 0.000 1.236 187 L CA -0.465 54.367 54.840 -0.013 0.000 1.144 187 L CB 0.939 42.977 42.059 -0.035 0.000 1.379 187 L HN -0.008 nan 8.230 nan 0.000 0.414 188 V N 2.991 122.913 119.914 0.014 0.000 2.096 188 V HA 0.151 4.360 4.120 0.150 0.000 0.259 188 V C 0.766 176.888 176.094 0.046 0.000 1.420 188 V CA -0.324 61.988 62.300 0.020 0.000 1.336 188 V CB -0.625 31.206 31.823 0.015 0.000 1.394 188 V HN 0.603 nan 8.190 nan 0.000 0.494 189 R N 2.510 123.031 120.500 0.035 0.000 2.216 189 R HA 0.302 4.732 4.340 0.150 0.000 0.332 189 R C 0.196 176.525 176.300 0.048 0.000 1.056 189 R CA -0.331 55.800 56.100 0.052 0.000 0.901 189 R CB 1.144 31.454 30.300 0.017 0.000 1.039 189 R HN 0.594 nan 8.270 nan 0.000 0.456 190 E N 2.025 122.277 120.200 0.087 0.000 2.344 190 E HA -0.079 4.360 4.350 0.150 0.000 0.270 190 E C -0.338 176.280 176.600 0.029 0.000 1.021 190 E CA -0.278 56.152 56.400 0.050 0.000 0.887 190 E CB 0.677 30.405 29.700 0.047 0.000 0.997 190 E HN 0.328 nan 8.360 nan 0.000 0.429 191 D N 5.132 125.534 120.400 0.003 0.000 2.767 191 D HA 0.002 4.732 4.640 0.150 0.000 0.231 191 D C 0.176 176.464 176.300 -0.021 0.000 1.105 191 D CA 0.083 54.075 54.000 -0.012 0.000 1.024 191 D CB -0.217 40.575 40.800 -0.013 0.000 1.123 191 D HN 0.513 nan 8.370 nan 0.000 0.470 192 L N 1.451 122.658 121.223 -0.026 0.000 3.499 192 L HA -0.026 4.404 4.340 0.150 0.000 0.265 192 L C 1.746 178.581 176.870 -0.059 0.000 1.324 192 L CA 0.060 54.880 54.840 -0.032 0.000 1.067 192 L CB -0.589 41.458 42.059 -0.020 0.000 1.487 192 L HN 0.074 nan 8.230 nan 0.000 0.415 193 T N -0.502 114.027 114.554 -0.041 0.000 2.939 193 T HA 0.008 4.448 4.350 0.150 0.000 0.254 193 T C 2.044 176.745 174.700 0.001 0.000 1.041 193 T CA 0.959 63.041 62.100 -0.030 0.000 1.142 193 T CB 0.222 69.073 68.868 -0.027 0.000 0.874 193 T HN 0.545 nan 8.240 nan 0.000 0.452 194 A N 1.101 123.917 122.820 -0.006 0.000 2.186 194 A HA 0.131 4.541 4.320 0.150 0.000 0.219 194 A C 0.966 178.549 177.584 -0.001 0.000 1.159 194 A CA 0.678 52.716 52.037 0.001 0.000 0.680 194 A CB -0.805 18.191 19.000 -0.006 0.000 0.787 194 A HN 0.460 nan 8.150 nan 0.000 0.467 195 L N 0.424 121.634 121.223 -0.022 0.000 2.439 195 L HA 0.135 4.565 4.340 0.150 0.000 0.269 195 L C -0.461 176.474 176.870 0.109 0.000 1.179 195 L CA -0.517 54.264 54.840 -0.098 0.000 0.828 195 L CB 0.473 42.352 42.059 -0.301 0.000 1.106 195 L HN 0.101 nan 8.230 nan 0.000 0.467 196 D N 2.775 123.261 120.400 0.143 0.000 2.631 196 D HA 0.215 4.945 4.640 0.150 0.000 0.227 196 D C -0.288 176.181 176.300 0.281 0.000 1.146 196 D CA 0.045 54.184 54.000 0.232 0.000 1.009 196 D CB -0.145 40.776 40.800 0.201 0.000 1.057 196 D HN 0.068 nan 8.370 nan 0.000 0.509 197 F N 0.853 120.893 119.950 0.151 0.000 2.471 197 F HA 0.149 4.769 4.527 0.155 0.000 0.353 197 F C 1.060 176.922 175.800 0.103 0.000 1.113 197 F CA -0.508 57.584 58.000 0.154 0.000 1.262 197 F CB 0.766 39.819 39.000 0.088 0.000 1.146 197 F HN -0.035 nan 8.300 nan 0.000 0.578 198 V N -0.597 119.444 119.914 0.213 0.000 2.960 198 V HA 0.866 5.076 4.120 0.150 0.000 0.315 198 V C -0.517 175.645 176.094 0.114 0.000 1.087 198 V CA -0.920 61.457 62.300 0.129 0.000 0.982 198 V CB 1.634 33.500 31.823 0.072 0.000 1.039 198 V HN 0.770 nan 8.190 nan 0.000 0.437 199 T N 0.310 114.895 114.554 0.053 0.000 2.847 199 T HA 0.769 5.209 4.350 0.150 0.000 0.291 199 T C -0.737 173.927 174.700 -0.061 0.000 0.998 199 T CA -0.259 61.844 62.100 0.006 0.000 0.967 199 T CB 0.809 69.670 68.868 -0.011 0.000 0.954 199 T HN 0.671 nan 8.240 nan 0.000 0.441 200 I N 3.506 124.028 120.570 -0.080 0.000 2.382 200 I HA 0.536 4.796 4.170 0.150 0.000 0.286 200 I C -0.729 175.133 176.117 -0.424 0.000 1.002 200 I CA -0.577 60.615 61.300 -0.181 0.000 1.135 200 I CB 1.211 39.190 38.000 -0.034 0.000 1.288 200 I HN 0.641 nan 8.210 nan 0.000 0.448 201 D N 3.193 123.146 120.400 -0.744 0.000 2.626 201 D HA 0.239 4.969 4.640 0.150 0.000 0.278 201 D C -0.888 174.759 176.300 -1.089 0.000 1.211 201 D CA -0.654 52.757 54.000 -0.983 0.000 0.903 201 D CB 1.947 42.515 40.800 -0.386 0.000 1.408 201 D HN 0.203 nan 8.370 nan 0.000 0.454 202 S N 0.585 115.886 115.700 -0.666 0.000 2.466 202 S HA 0.254 4.814 4.470 0.150 0.000 0.286 202 S C 1.263 175.762 174.600 -0.168 0.000 1.221 202 S CA -0.296 57.784 58.200 -0.200 0.000 1.091 202 S CB 0.956 64.182 63.200 0.043 0.000 0.956 202 S HN 0.530 nan 8.310 nan 0.000 0.501 203 A N 3.908 126.630 122.820 -0.163 0.000 2.084 203 A HA -0.157 4.253 4.320 0.150 0.000 0.221 203 A C 2.358 179.895 177.584 -0.078 0.000 1.161 203 A CA 1.816 53.775 52.037 -0.130 0.000 0.653 203 A CB -1.004 17.917 19.000 -0.132 0.000 0.802 203 A HN 0.914 nan 8.150 nan 0.000 0.457 204 S N -0.426 115.242 115.700 -0.053 0.000 2.392 204 S HA -0.131 4.429 4.470 0.150 0.000 0.232 204 S C 1.105 175.691 174.600 -0.023 0.000 1.041 204 S CA 1.643 59.828 58.200 -0.026 0.000 1.026 204 S CB -1.179 62.018 63.200 -0.005 0.000 0.845 204 S HN 1.136 nan 8.310 nan 0.000 0.465 205 T N -1.080 113.456 114.554 -0.030 0.000 2.815 205 T HA 0.685 5.125 4.350 0.150 0.000 0.289 205 T C -0.501 174.175 174.700 -0.041 0.000 1.000 205 T CA 0.022 62.108 62.100 -0.023 0.000 0.958 205 T CB 1.726 70.594 68.868 0.000 0.000 0.944 205 T HN 0.373 nan 8.240 nan 0.000 0.442 206 E N 3.329 123.505 120.200 -0.039 0.000 2.467 206 E HA 0.228 4.668 4.350 0.150 0.000 0.321 206 E C -0.058 176.516 176.600 -0.043 0.000 1.388 206 E CA -0.503 55.869 56.400 -0.047 0.000 1.508 206 E CB -0.682 28.993 29.700 -0.042 0.000 1.250 206 E HN 0.804 nan 8.360 nan 0.000 0.500 210 D N 0.656 121.032 120.400 -0.039 0.000 2.505 210 D HA 0.666 5.396 4.640 0.150 0.000 0.249 210 D C -0.747 175.560 176.300 0.012 0.000 1.082 210 D CA -0.738 53.237 54.000 -0.041 0.000 0.839 210 D CB 2.072 42.836 40.800 -0.060 0.000 1.317 210 D HN 0.319 nan 8.370 nan 0.000 0.497 211 A N 2.640 125.498 122.820 0.063 0.000 2.413 211 A HA 0.800 5.209 4.320 0.150 0.000 0.307 211 A C -1.204 176.557 177.584 0.294 0.000 1.087 211 A CA -0.905 51.242 52.037 0.184 0.000 0.750 211 A CB 1.219 20.355 19.000 0.226 0.000 1.296 211 A HN 0.631 nan 8.150 nan 0.000 0.423 212 L N 0.942 122.327 121.223 0.269 0.000 2.401 212 L HA 0.689 5.119 4.340 0.150 0.000 0.266 212 L C -1.136 175.591 176.870 -0.239 0.000 0.991 212 L CA -0.422 54.465 54.840 0.077 0.000 0.818 212 L CB 2.096 44.164 42.059 0.016 0.000 1.321 212 L HN 0.773 nan 8.230 nan 0.000 0.413 213 F N 2.088 121.610 119.950 -0.714 0.000 2.551 213 F HA 0.863 5.480 4.527 0.150 0.000 0.316 213 F C -0.833 174.757 175.800 -0.351 0.000 1.089 213 F CA -0.558 56.964 58.000 -0.796 0.000 0.915 213 F CB 1.851 39.953 39.000 -1.497 0.000 1.186 213 F HN 0.495 nan 8.300 nan 0.000 0.456 214 A N 3.955 126.002 122.820 -1.288 0.000 2.371 214 A HA 0.946 5.356 4.320 0.150 0.000 0.311 214 A C -1.281 175.608 177.584 -1.159 0.000 1.068 214 A CA -0.260 51.187 52.037 -0.982 0.000 0.744 214 A CB 1.247 19.977 19.000 -0.450 0.000 1.239 214 A HN 1.229 nan 8.150 nan 0.000 0.435 215 K N 0.490 120.489 120.400 -0.668 0.000 2.498 215 K HA 0.875 5.285 4.320 0.150 0.000 0.254 215 K C -0.208 176.312 176.600 -0.133 0.000 0.933 215 K CA -0.211 55.889 56.287 -0.312 0.000 0.806 215 K CB 1.464 33.919 32.500 -0.075 0.000 1.301 215 K HN 2.357 nan 8.250 nan 0.000 0.432 216 A N 1.685 124.461 122.820 -0.074 0.000 2.425 216 A HA 0.746 5.156 4.320 0.150 0.000 0.249 216 A C 0.058 177.636 177.584 -0.010 0.000 1.084 216 A CA -0.125 51.890 52.037 -0.036 0.000 0.781 216 A CB -0.167 18.820 19.000 -0.022 0.000 1.019 216 A HN 0.754 nan 8.150 nan 0.000 0.490 217 L N 1.867 123.087 121.223 -0.005 0.000 2.183 217 L HA 0.559 4.989 4.340 0.150 0.000 0.253 217 L C -2.072 174.803 176.870 0.008 0.000 1.048 217 L CA -2.215 52.629 54.840 0.007 0.000 0.890 217 L CB 2.019 44.083 42.059 0.009 0.000 1.476 217 L HN 0.520 nan 8.230 nan 0.000 0.455 218 P HA 0.158 nan 4.420 nan 0.000 0.277 218 P C -1.395 175.912 177.300 0.011 0.000 1.240 218 P CA -0.069 63.038 63.100 0.011 0.000 0.798 218 P CB 0.567 32.274 31.700 0.011 0.000 0.979 219 D N -0.213 120.193 120.400 0.011 0.000 3.082 219 D HA -0.158 4.571 4.640 0.150 0.000 0.234 219 D C 0.410 176.719 176.300 0.014 0.000 1.159 219 D CA 2.212 56.219 54.000 0.013 0.000 0.875 219 D CB -2.389 38.420 40.800 0.014 0.000 0.946 219 D HN 0.771 nan 8.370 nan 0.000 0.411 220 D N -0.204 120.203 120.400 0.011 0.000 2.706 220 D HA -0.301 4.429 4.640 0.150 0.000 0.230 220 D C 0.274 176.582 176.300 0.012 0.000 1.184 220 D CA 1.756 55.762 54.000 0.011 0.000 0.628 220 D CB -1.166 39.642 40.800 0.014 0.000 1.019 220 D HN 0.583 nan 8.370 nan 0.000 0.415 221 K N -1.358 119.047 120.400 0.008 0.000 2.203 221 K HA 0.867 5.277 4.320 0.150 0.000 0.251 221 K C -0.048 176.550 176.600 -0.004 0.000 0.944 221 K CA -0.717 55.574 56.287 0.007 0.000 0.829 221 K CB 2.145 34.651 32.500 0.011 0.000 1.125 221 K HN 0.380 nan 8.250 nan 0.000 0.430 222 L N 1.660 122.878 121.223 -0.009 0.000 2.354 222 L HA 0.422 4.852 4.340 0.150 0.000 0.269 222 L C -0.530 176.324 176.870 -0.026 0.000 1.005 222 L CA -0.882 53.941 54.840 -0.028 0.000 0.819 222 L CB 2.060 44.097 42.059 -0.037 0.000 1.311 222 L HN 0.557 nan 8.230 nan 0.000 0.423 223 Q N 2.285 122.059 119.800 -0.044 0.000 2.293 223 Q HA 0.605 5.035 4.340 0.150 0.000 0.261 223 Q C -1.663 174.302 176.000 -0.059 0.000 0.960 223 Q CA -0.710 55.081 55.803 -0.020 0.000 0.882 223 Q CB 2.021 30.772 28.738 0.022 0.000 1.275 223 Q HN 0.478 nan 8.270 nan 0.000 0.445 224 L N 5.580 126.800 121.223 -0.006 0.000 2.376 224 L HA 0.560 4.990 4.340 0.150 0.000 0.275 224 L C -1.618 175.302 176.870 0.084 0.000 0.987 224 L CA -0.325 54.510 54.840 -0.008 0.000 0.828 224 L CB 1.641 43.692 42.059 -0.014 0.000 1.249 224 L HN 0.710 nan 8.230 nan 0.000 0.409 225 I N 5.447 126.103 120.570 0.143 0.000 2.359 225 I HA 0.478 4.738 4.170 0.150 0.000 0.294 225 I C -0.611 175.626 176.117 0.199 0.000 0.987 225 I CA -0.816 60.628 61.300 0.240 0.000 1.225 225 I CB 1.769 40.038 38.000 0.448 0.000 1.366 225 I HN 0.242 nan 8.210 nan 0.000 0.466 226 V N 5.541 125.566 119.914 0.184 0.000 2.448 226 V HA 0.694 4.903 4.120 0.150 0.000 0.295 226 V C 0.048 176.241 176.094 0.165 0.000 1.025 226 V CA -0.524 61.867 62.300 0.152 0.000 0.859 226 V CB 1.587 33.437 31.823 0.045 0.000 0.988 226 V HN 0.831 nan 8.190 nan 0.000 0.431 227 A N 6.460 129.387 122.820 0.177 0.000 2.304 227 A HA 0.861 5.271 4.320 0.150 0.000 0.314 227 A C -0.898 176.682 177.584 -0.006 0.000 1.187 227 A CA -0.468 51.616 52.037 0.078 0.000 0.810 227 A CB 0.676 19.670 19.000 -0.010 0.000 1.183 227 A HN 0.569 nan 8.150 nan 0.000 0.487 228 I N 1.984 122.554 120.570 -0.000 0.000 2.460 228 I HA 0.513 4.773 4.170 0.150 0.000 0.298 228 I C 1.116 177.300 176.117 0.112 0.000 0.989 228 I CA -0.650 60.639 61.300 -0.019 0.000 1.173 228 I CB 1.112 39.020 38.000 -0.154 0.000 1.338 228 I HN 0.808 nan 8.210 nan 0.000 0.456 229 A N 3.922 126.780 122.820 0.064 0.000 2.609 229 A HA 0.011 4.421 4.320 0.150 0.000 0.235 229 A C 0.227 177.913 177.584 0.170 0.000 1.092 229 A CA 0.438 52.521 52.037 0.076 0.000 0.780 229 A CB -0.118 18.884 19.000 0.004 0.000 1.031 229 A HN 0.756 nan 8.150 nan 0.000 0.515 230 D N 0.372 120.887 120.400 0.192 0.000 2.513 230 D HA 0.366 5.096 4.640 0.150 0.000 0.295 230 D C -2.183 174.322 176.300 0.342 0.000 1.202 230 D CA -1.511 52.653 54.000 0.273 0.000 0.849 230 D CB 0.761 41.720 40.800 0.264 0.000 1.116 230 D HN 0.123 nan 8.370 nan 0.000 0.502 231 P HA 0.014 nan 4.420 nan 0.000 0.233 231 P C 0.921 178.377 177.300 0.260 0.000 1.167 231 P CA 0.654 63.873 63.100 0.198 0.000 0.770 231 P CB -0.058 31.640 31.700 -0.003 0.000 0.837 232 T N -3.240 111.419 114.554 0.174 0.000 3.317 232 T HA 0.372 4.812 4.350 0.150 0.000 0.250 232 T C 1.267 176.031 174.700 0.106 0.000 1.106 232 T CA 0.347 62.523 62.100 0.127 0.000 0.986 232 T CB -0.517 68.415 68.868 0.107 0.000 1.010 232 T HN 0.027 nan 8.240 nan 0.000 0.560 233 A N -0.485 122.422 122.820 0.145 0.000 2.508 233 A HA 0.455 4.865 4.320 0.150 0.000 0.257 233 A C 1.339 178.740 177.584 -0.306 0.000 1.226 233 A CA -0.659 51.294 52.037 -0.140 0.000 0.947 233 A CB -0.075 18.728 19.000 -0.327 0.000 1.079 233 A HN 0.649 nan 8.150 nan 0.000 0.531 234 W N -1.120 120.179 121.300 -0.001 0.000 2.701 234 W HA 0.390 5.045 4.660 -0.008 0.000 0.254 234 W C -0.421 176.098 176.519 -0.001 0.000 1.017 234 W CA 0.027 57.371 57.345 -0.003 0.000 1.326 234 W CB 0.593 30.048 29.460 -0.007 0.000 0.881 234 W HN -0.004 nan 8.180 nan 0.000 0.647 235 I N 1.398 122.105 120.570 0.228 0.000 2.354 235 I HA 0.409 4.669 4.170 0.150 0.000 0.286 235 I C 0.300 176.470 176.117 0.088 0.000 1.007 235 I CA -0.448 60.932 61.300 0.135 0.000 1.167 235 I CB 1.044 39.114 38.000 0.116 0.000 1.320 235 I HN -0.294 nan 8.210 nan 0.000 0.458 236 A N 5.503 128.362 122.820 0.065 0.000 2.286 236 A HA 0.339 4.748 4.320 0.150 0.000 0.286 236 A C 0.130 177.743 177.584 0.048 0.000 1.097 236 A CA -0.463 51.599 52.037 0.043 0.000 0.821 236 A CB 0.617 19.633 19.000 0.027 0.000 1.076 236 A HN 0.741 nan 8.150 nan 0.000 0.490 237 E N 0.011 120.235 120.200 0.040 0.000 2.376 237 E HA 0.334 4.773 4.350 0.150 0.000 0.266 237 E C 1.155 177.779 176.600 0.041 0.000 1.009 237 E CA 1.052 57.480 56.400 0.047 0.000 0.902 237 E CB 0.142 29.863 29.700 0.034 0.000 0.972 237 E HN 1.386 nan 8.360 nan 0.000 0.439 238 G N 3.250 112.078 108.800 0.047 0.000 2.241 238 G HA2 -0.316 3.734 3.960 0.150 0.000 0.244 238 G HA3 -0.316 3.734 3.960 0.150 0.000 0.244 238 G C 0.404 175.322 174.900 0.030 0.000 0.998 238 G CA 0.331 45.451 45.100 0.033 0.000 0.621 238 G HN 0.705 nan 8.290 nan 0.000 0.519 239 S N 0.868 116.590 115.700 0.037 0.000 2.563 239 S HA 0.442 5.002 4.470 0.150 0.000 0.284 239 S C 2.000 176.616 174.600 0.027 0.000 1.331 239 S CA 1.287 59.507 58.200 0.034 0.000 1.047 239 S CB 0.985 64.212 63.200 0.045 0.000 0.859 239 S HN 1.599 nan 8.310 nan 0.000 0.514 240 K N 3.983 124.394 120.400 0.018 0.000 2.152 240 K HA -0.040 4.370 4.320 0.150 0.000 0.206 240 K C 2.054 178.657 176.600 0.004 0.000 1.048 240 K CA 1.928 58.219 56.287 0.007 0.000 0.933 240 K CB -1.174 31.328 32.500 0.003 0.000 0.721 240 K HN 0.756 nan 8.250 nan 0.000 0.447 241 L N 0.310 121.543 121.223 0.016 0.000 2.042 241 L HA -0.195 4.235 4.340 0.150 0.000 0.210 241 L C 2.576 179.461 176.870 0.026 0.000 1.076 241 L CA 1.849 56.699 54.840 0.017 0.000 0.749 241 L CB -0.298 41.781 42.059 0.033 0.000 0.893 241 L HN 0.478 nan 8.230 nan 0.000 0.432 242 D N -0.115 120.317 120.400 0.054 0.000 2.178 242 D HA -0.159 4.571 4.640 0.150 0.000 0.202 242 D C 2.276 178.592 176.300 0.027 0.000 0.974 242 D CA 1.541 55.605 54.000 0.107 0.000 0.841 242 D CB 0.243 41.120 40.800 0.129 0.000 0.953 242 D HN 0.170 nan 8.370 nan 0.000 0.478 243 K N 0.449 120.842 120.400 -0.013 0.000 2.025 243 K HA 0.116 4.525 4.320 0.150 0.000 0.207 243 K C 2.243 178.773 176.600 -0.118 0.000 1.049 243 K CA 1.526 57.777 56.287 -0.059 0.000 0.933 243 K CB -1.223 31.258 32.500 -0.032 0.000 0.714 243 K HN 0.242 nan 8.250 nan 0.000 0.438 244 A N 1.124 123.890 122.820 -0.089 0.000 1.858 244 A HA 0.244 4.654 4.320 0.150 0.000 0.216 244 A C 2.818 180.302 177.584 -0.168 0.000 1.190 244 A CA 2.304 54.279 52.037 -0.102 0.000 0.617 244 A CB -1.046 17.916 19.000 -0.063 0.000 0.827 244 A HN 0.972 nan 8.150 nan 0.000 0.443 245 A N -0.444 122.279 122.820 -0.162 0.000 1.917 245 A HA -0.111 4.299 4.320 0.150 0.000 0.219 245 A C 2.389 179.583 177.584 -0.650 0.000 1.182 245 A CA 3.344 55.256 52.037 -0.209 0.000 0.633 245 A CB -1.049 17.978 19.000 0.046 0.000 0.819 245 A HN 0.794 nan 8.150 nan 0.000 0.448 246 K N -0.554 119.205 120.400 -1.067 0.000 2.148 246 K HA 0.085 4.495 4.320 0.150 0.000 0.204 246 K C 1.735 177.961 176.600 -0.624 0.000 1.050 246 K CA 1.482 56.873 56.287 -1.493 0.000 0.942 246 K CB -0.710 31.246 32.500 -0.906 0.000 0.724 246 K HN 0.441 nan 8.250 nan 0.000 0.446 247 I N 1.260 121.608 120.570 -0.370 0.000 2.233 247 I HA -0.113 4.147 4.170 0.150 0.000 0.243 247 I C 2.506 178.530 176.117 -0.155 0.000 1.093 247 I CA 1.280 62.462 61.300 -0.196 0.000 1.380 247 I CB -0.896 37.029 38.000 -0.125 0.000 1.067 247 I HN 0.353 nan 8.210 nan 0.000 0.413 248 R N 0.726 121.126 120.500 -0.166 0.000 2.090 248 R HA 0.030 4.460 4.340 0.150 0.000 0.228 248 R C 1.769 178.020 176.300 -0.082 0.000 1.110 248 R CA 1.321 57.363 56.100 -0.096 0.000 0.973 248 R CB -0.257 29.989 30.300 -0.089 0.000 0.869 248 R HN 0.379 nan 8.270 nan 0.000 0.440 249 A N -0.459 122.236 122.820 -0.208 0.000 3.275 249 A HA -0.263 4.147 4.320 0.150 0.000 0.241 249 A C 0.259 177.487 177.584 -0.593 0.000 0.607 249 A CA 1.663 53.519 52.037 -0.302 0.000 1.181 249 A CB -1.589 17.306 19.000 -0.175 0.000 1.304 249 A HN 0.315 nan 8.150 nan 0.000 0.682 250 F N -1.117 118.848 119.950 0.026 0.000 2.628 250 F HA 0.490 5.108 4.527 0.151 0.000 0.309 250 F C 0.452 176.232 175.800 -0.033 0.000 1.108 250 F CA -0.033 57.985 58.000 0.030 0.000 0.971 250 F CB 1.775 40.801 39.000 0.044 0.000 1.279 250 F HN -0.008 nan 8.300 nan 0.000 0.441 251 T N 2.013 116.638 114.554 0.118 0.000 2.831 251 T HA -0.053 4.387 4.350 0.150 0.000 0.291 251 T C 0.042 174.638 174.700 -0.174 0.000 0.981 251 T CA 0.235 62.267 62.100 -0.113 0.000 1.174 251 T CB -0.246 68.479 68.868 -0.238 0.000 0.929 251 T HN 0.366 nan 8.240 nan 0.000 0.532 252 N N 3.275 121.844 118.700 -0.219 0.000 2.402 252 N HA 0.089 4.919 4.740 0.150 0.000 0.252 252 N C -1.256 174.077 175.510 -0.295 0.000 1.118 252 N CA -0.210 52.746 53.050 -0.158 0.000 0.945 252 N CB -0.063 38.378 38.487 -0.075 0.000 1.147 252 N HN 0.486 nan 8.380 nan 0.000 0.495 253 Y N 3.872 124.170 120.300 -0.004 0.000 2.452 253 Y HA 0.302 4.942 4.550 0.150 0.000 0.348 253 Y C 0.374 176.289 175.900 0.025 0.000 0.985 253 Y CA -0.437 57.664 58.100 0.001 0.000 1.214 253 Y CB 0.697 39.165 38.460 0.014 0.000 1.136 253 Y HN 0.214 nan 8.280 nan 0.000 0.523 254 L N 5.634 126.965 121.223 0.180 0.000 2.330 254 L HA 0.507 4.936 4.340 0.150 0.000 0.271 254 L C -2.360 174.647 176.870 0.229 0.000 1.013 254 L CA -2.746 52.204 54.840 0.183 0.000 0.816 254 L CB 1.578 43.791 42.059 0.257 0.000 1.287 254 L HN 0.330 nan 8.230 nan 0.000 0.435 255 P HA -0.045 nan 4.420 nan 0.000 0.251 255 P C 0.748 178.269 177.300 0.369 0.000 1.154 255 P CA 1.142 64.299 63.100 0.095 0.000 0.805 255 P CB 0.066 31.523 31.700 -0.406 0.000 0.759 256 G N 2.114 111.079 108.800 0.275 0.000 2.159 256 G HA2 -0.267 3.783 3.960 0.150 0.000 0.256 256 G HA3 -0.267 3.783 3.960 0.150 0.000 0.256 256 G C -0.181 174.847 174.900 0.214 0.000 0.977 256 G CA -0.213 45.013 45.100 0.209 0.000 0.652 256 G HN 0.555 nan 8.290 nan 0.000 0.531 257 F N 1.791 121.767 119.950 0.044 0.000 2.749 257 F HA 0.428 5.046 4.527 0.151 0.000 0.339 257 F C -0.683 175.125 175.800 0.013 0.000 1.211 257 F CA -1.220 56.750 58.000 -0.050 0.000 1.099 257 F CB 0.605 39.487 39.000 -0.198 0.000 1.359 257 F HN 0.264 nan 8.300 nan 0.000 0.549 258 N N 6.312 124.726 118.700 -0.476 0.000 2.430 258 N HA 0.526 5.356 4.740 0.150 0.000 0.298 258 N C -1.429 173.608 175.510 -0.789 0.000 1.130 258 N CA -0.674 52.039 53.050 -0.562 0.000 0.894 258 N CB 2.578 40.778 38.487 -0.479 0.000 1.209 258 N HN 0.406 nan 8.380 nan 0.000 0.503 259 I N 1.262 121.486 120.570 -0.577 0.000 2.371 259 I HA 0.330 4.590 4.170 0.150 0.000 0.282 259 I C -2.268 173.663 176.117 -0.309 0.000 1.031 259 I CA -1.998 59.055 61.300 -0.412 0.000 1.180 259 I CB 0.434 38.287 38.000 -0.244 0.000 1.336 259 I HN 0.337 nan 8.210 nan 0.000 0.467 263 P HA 0.166 nan 4.420 nan 0.000 0.269 263 P C 0.461 177.709 177.300 -0.087 0.000 1.209 263 P CA -0.061 62.996 63.100 -0.071 0.000 0.776 263 P CB 0.663 32.326 31.700 -0.062 0.000 0.876 264 R N 2.538 122.988 120.500 -0.083 0.000 2.152 264 R HA -0.184 4.246 4.340 0.150 0.000 0.232 264 R C 1.653 177.894 176.300 -0.098 0.000 1.117 264 R CA 1.805 57.854 56.100 -0.086 0.000 0.981 264 R CB -1.805 28.452 30.300 -0.072 0.000 0.870 264 R HN 0.541 nan 8.270 nan 0.000 0.451 265 E N -0.052 120.090 120.200 -0.097 0.000 2.333 265 E HA -0.075 4.365 4.350 0.150 0.000 0.198 265 E C 1.733 178.230 176.600 -0.173 0.000 1.007 265 E CA 1.143 57.477 56.400 -0.111 0.000 0.845 265 E CB -0.023 29.624 29.700 -0.087 0.000 0.766 265 E HN 0.496 nan 8.360 nan 0.000 0.507 266 L N -0.720 120.388 121.223 -0.191 0.000 2.269 266 L HA 0.104 4.534 4.340 0.150 0.000 0.200 266 L C 1.812 178.524 176.870 -0.264 0.000 1.069 266 L CA 1.153 55.818 54.840 -0.292 0.000 0.804 266 L CB -0.367 41.543 42.059 -0.248 0.000 0.987 266 L HN -0.094 nan 8.230 nan 0.000 0.468 267 S N 0.132 115.727 115.700 -0.175 0.000 2.399 267 S HA -0.131 4.429 4.470 0.150 0.000 0.231 267 S C 1.316 175.840 174.600 -0.126 0.000 1.022 267 S CA 1.479 59.597 58.200 -0.136 0.000 0.983 267 S CB -0.358 62.784 63.200 -0.096 0.000 0.803 267 S HN 0.525 nan 8.310 nan 0.000 0.480 268 D N 0.540 120.866 120.400 -0.124 0.000 2.320 268 D HA 0.081 4.811 4.640 0.150 0.000 0.228 268 D C 1.565 177.800 176.300 -0.108 0.000 0.978 268 D CA 0.711 54.652 54.000 -0.098 0.000 0.905 268 D CB -0.416 40.337 40.800 -0.078 0.000 1.051 268 D HN 0.196 nan 8.370 nan 0.000 0.471 269 D N 0.307 120.629 120.400 -0.130 0.000 2.237 269 D HA 0.051 4.781 4.640 0.150 0.000 0.267 269 D C 2.342 178.532 176.300 -0.183 0.000 1.226 269 D CA 0.194 54.119 54.000 -0.126 0.000 0.947 269 D CB -0.247 40.492 40.800 -0.102 0.000 0.941 269 D HN -0.105 nan 8.370 nan 0.000 0.333 270 L N 0.152 121.211 121.223 -0.273 0.000 2.077 270 L HA -0.388 4.042 4.340 0.150 0.000 0.231 270 L C 2.777 179.372 176.870 -0.459 0.000 1.100 270 L CA 1.866 56.440 54.840 -0.444 0.000 0.819 270 L CB -1.250 40.223 42.059 -0.976 0.000 0.913 270 L HN 0.318 nan 8.230 nan 0.000 0.446 271 C N -1.300 117.702 119.300 -0.496 0.000 2.587 271 C HA -0.016 4.534 4.460 0.150 0.000 0.282 271 C C 1.986 176.896 174.990 -0.133 0.000 1.277 271 C CA -0.062 58.775 59.018 -0.301 0.000 1.702 271 C CB -0.404 27.168 27.740 -0.281 0.000 2.113 271 C HN 0.581 nan 8.230 nan 0.000 0.490 272 S N 0.646 116.271 115.700 -0.125 0.000 3.116 272 S HA -0.100 4.460 4.470 0.150 0.000 0.373 272 S C -0.262 174.307 174.600 -0.052 0.000 1.193 272 S CA 0.326 58.479 58.200 -0.078 0.000 0.972 272 S CB -0.151 63.002 63.200 -0.079 0.000 0.671 272 S HN 0.387 nan 8.310 nan 0.000 0.488 273 L N 6.428 127.629 121.223 -0.037 0.000 2.512 273 L HA 0.325 4.755 4.340 0.150 0.000 0.247 273 L C 1.022 177.882 176.870 -0.017 0.000 1.204 273 L CA -0.344 54.482 54.840 -0.023 0.000 1.153 273 L CB -0.254 41.796 42.059 -0.015 0.000 1.415 273 L HN 0.544 nan 8.230 nan 0.000 0.406 274 R N 1.095 121.583 120.500 -0.020 0.000 2.694 274 R HA 0.433 4.862 4.340 0.150 0.000 0.268 274 R C 0.615 176.913 176.300 -0.002 0.000 1.061 274 R CA -0.331 55.760 56.100 -0.016 0.000 1.133 274 R CB 0.656 30.945 30.300 -0.018 0.000 1.020 274 R HN 0.521 nan 8.270 nan 0.000 0.475 275 A N 2.558 125.379 122.820 0.001 0.000 2.531 275 A HA -0.023 4.387 4.320 0.150 0.000 0.236 275 A C 0.288 177.880 177.584 0.013 0.000 1.062 275 A CA -0.167 51.878 52.037 0.014 0.000 0.760 275 A CB -0.019 18.989 19.000 0.015 0.000 0.995 275 A HN 0.981 nan 8.150 nan 0.000 0.501 276 N N 0.199 118.912 118.700 0.020 0.000 2.710 276 N HA -0.180 4.650 4.740 0.150 0.000 0.249 276 N C -0.106 175.410 175.510 0.010 0.000 1.059 276 N CA 1.698 54.758 53.050 0.017 0.000 0.720 276 N CB -0.760 37.736 38.487 0.016 0.000 0.983 276 N HN 0.910 nan 8.380 nan 0.000 0.544 277 E N -0.553 119.650 120.200 0.006 0.000 2.393 277 E HA 0.475 4.915 4.350 0.150 0.000 0.273 277 E C -0.999 175.601 176.600 -0.001 0.000 0.918 277 E CA -0.730 55.672 56.400 0.003 0.000 0.773 277 E CB 2.488 32.189 29.700 0.002 0.000 1.275 277 E HN -0.066 nan 8.360 nan 0.000 0.451 278 V N 3.624 123.539 119.914 0.002 0.000 2.432 278 V HA 0.414 4.624 4.120 0.150 0.000 0.275 278 V C -0.285 175.816 176.094 0.012 0.000 1.043 278 V CA -0.279 62.019 62.300 -0.003 0.000 0.925 278 V CB 1.031 32.853 31.823 -0.002 0.000 0.985 278 V HN 0.493 nan 8.190 nan 0.000 0.466 279 R N 5.865 126.365 120.500 0.000 0.000 2.686 279 R HA 0.508 4.937 4.340 0.150 0.000 0.286 279 R C -2.890 173.428 176.300 0.031 0.000 0.969 279 R CA -2.454 53.667 56.100 0.035 0.000 0.898 279 R CB 2.189 32.499 30.300 0.017 0.000 1.183 279 R HN 0.350 nan 8.270 nan 0.000 0.456 280 P HA 0.118 nan 4.420 nan 0.000 0.282 280 P C -0.132 177.216 177.300 0.080 0.000 1.262 280 P CA -0.292 62.850 63.100 0.068 0.000 0.773 280 P CB 1.042 32.788 31.700 0.077 0.000 0.879 281 V N 2.249 122.172 119.914 0.015 0.000 3.103 281 V HA 0.668 4.878 4.120 0.150 0.000 0.318 281 V C -0.684 175.425 176.094 0.026 0.000 1.114 281 V CA -1.304 61.009 62.300 0.021 0.000 1.020 281 V CB 1.922 33.705 31.823 -0.068 0.000 1.085 281 V HN 0.320 nan 8.190 nan 0.000 0.446 282 L N 2.370 123.650 121.223 0.095 0.000 2.313 282 L HA 0.975 5.405 4.340 0.150 0.000 0.283 282 L C -0.013 176.888 176.870 0.050 0.000 1.013 282 L CA -0.081 54.782 54.840 0.037 0.000 0.816 282 L CB 0.640 42.755 42.059 0.093 0.000 1.236 282 L HN 1.300 nan 8.230 nan 0.000 0.419 283 A N 3.894 126.512 122.820 -0.336 0.000 2.479 283 A HA 0.833 5.243 4.320 0.150 0.000 0.296 283 A C -1.430 175.667 177.584 -0.811 0.000 1.121 283 A CA -0.492 51.282 52.037 -0.439 0.000 0.743 283 A CB 1.614 20.281 19.000 -0.556 0.000 1.323 283 A HN 0.885 nan 8.150 nan 0.000 0.415 284 C N 1.094 120.129 119.300 -0.442 0.000 2.505 284 C HA 0.758 5.308 4.460 0.150 0.000 0.342 284 C C -0.011 174.962 174.990 -0.028 0.000 1.121 284 C CA -0.508 58.201 59.018 -0.516 0.000 1.306 284 C CB 0.257 27.533 27.740 -0.773 0.000 1.897 284 C HN 1.125 nan 8.230 nan 0.000 0.446 288 L N 1.594 122.813 121.223 -0.006 0.000 2.439 288 L HA 0.595 5.025 4.340 0.150 0.000 0.270 288 L C 0.402 177.274 176.870 0.004 0.000 0.972 288 L CA -0.974 53.856 54.840 -0.016 0.000 0.836 288 L CB 2.068 44.112 42.059 -0.025 0.000 1.255 288 L HN 0.660 nan 8.230 nan 0.000 0.404 289 S N 0.931 116.640 115.700 0.015 0.000 2.580 289 S HA 0.154 4.714 4.470 0.150 0.000 0.261 289 S C 1.442 176.074 174.600 0.053 0.000 1.366 289 S CA 0.025 58.249 58.200 0.039 0.000 0.996 289 S CB 0.978 64.213 63.200 0.059 0.000 0.902 289 S HN 0.783 nan 8.310 nan 0.000 0.566 290 A N 0.608 123.462 122.820 0.057 0.000 2.186 290 A HA -0.134 4.276 4.320 0.150 0.000 0.219 290 A C 1.367 179.001 177.584 0.083 0.000 1.159 290 A CA 1.658 53.729 52.037 0.057 0.000 0.680 290 A CB -0.806 18.223 19.000 0.048 0.000 0.787 290 A HN 0.881 nan 8.150 nan 0.000 0.467 291 D N -4.008 116.466 120.400 0.125 0.000 2.407 291 D HA 0.343 5.073 4.640 0.150 0.000 0.208 291 D C 1.124 177.581 176.300 0.261 0.000 1.083 291 D CA 0.845 54.962 54.000 0.194 0.000 0.844 291 D CB -0.186 40.765 40.800 0.251 0.000 0.967 291 D HN 0.619 nan 8.370 nan 0.000 0.506 292 G N -0.315 108.582 108.800 0.161 0.000 2.176 292 G HA2 -0.261 3.789 3.960 0.150 0.000 0.232 292 G HA3 -0.261 3.789 3.960 0.150 0.000 0.232 292 G C 0.405 175.237 174.900 -0.114 0.000 0.986 292 G CA 0.069 45.220 45.100 0.085 0.000 0.643 292 G HN 0.371 nan 8.290 nan 0.000 0.522 293 T N 1.676 116.216 114.554 -0.023 0.000 2.831 293 T HA 0.320 4.760 4.350 0.150 0.000 0.291 293 T C 1.053 175.652 174.700 -0.170 0.000 0.981 293 T CA 0.444 62.444 62.100 -0.166 0.000 1.174 293 T CB 0.430 69.358 68.868 0.100 0.000 0.929 293 T HN 0.348 nan 8.240 nan 0.000 0.532 294 I N 4.535 124.947 120.570 -0.264 0.000 2.329 294 I HA 0.100 4.360 4.170 0.150 0.000 0.295 294 I C 1.101 177.180 176.117 -0.063 0.000 1.109 294 I CA -0.199 61.018 61.300 -0.138 0.000 1.297 294 I CB 0.058 37.973 38.000 -0.143 0.000 1.433 294 I HN 0.611 nan 8.210 nan 0.000 0.509 295 E N 4.343 124.529 120.200 -0.024 0.000 2.409 295 E HA -0.031 4.409 4.350 0.150 0.000 0.257 295 E C 0.337 176.944 176.600 0.012 0.000 1.150 295 E CA -0.419 55.982 56.400 0.002 0.000 0.942 295 E CB 0.756 30.462 29.700 0.011 0.000 0.979 295 E HN 0.467 nan 8.360 nan 0.000 0.447 296 D N 0.971 121.382 120.400 0.018 0.000 2.264 296 D HA -0.114 4.615 4.640 0.150 0.000 0.208 296 D C 0.488 176.806 176.300 0.030 0.000 0.966 296 D CA 0.573 54.587 54.000 0.023 0.000 0.864 296 D CB -0.223 40.589 40.800 0.020 0.000 0.933 296 D HN 0.375 nan 8.370 nan 0.000 0.499 297 N N 1.700 120.417 118.700 0.028 0.000 3.117 297 N HA -0.071 4.759 4.740 0.150 0.000 0.323 297 N C 0.337 175.876 175.510 0.049 0.000 1.245 297 N CA 0.044 53.113 53.050 0.031 0.000 1.191 297 N CB -1.133 37.367 38.487 0.021 0.000 1.451 297 N HN 0.367 nan 8.380 nan 0.000 0.555 298 I N -4.052 116.560 120.570 0.070 0.000 2.498 298 I HA 0.822 5.082 4.170 0.150 0.000 0.301 298 I C -0.193 176.016 176.117 0.153 0.000 0.984 298 I CA -0.988 60.381 61.300 0.115 0.000 1.204 298 I CB 1.732 39.819 38.000 0.146 0.000 1.362 298 I HN 0.136 nan 8.210 nan 0.000 0.471 299 E N 5.102 125.428 120.200 0.209 0.000 2.311 299 E HA 0.532 4.972 4.350 0.150 0.000 0.281 299 E C -2.085 174.768 176.600 0.422 0.000 0.905 299 E CA -0.614 55.951 56.400 0.275 0.000 0.778 299 E CB 1.364 31.152 29.700 0.147 0.000 1.240 299 E HN 0.526 nan 8.360 nan 0.000 0.410 300 F N 1.391 121.385 119.950 0.073 0.000 2.384 300 F HA 0.830 5.446 4.527 0.148 0.000 0.338 300 F C 0.310 176.187 175.800 0.128 0.000 1.103 300 F CA -0.901 57.075 58.000 -0.040 0.000 1.157 300 F CB 0.897 39.708 39.000 -0.315 0.000 1.167 300 F HN 0.633 nan 8.300 nan 0.000 0.529 301 F N -0.033 119.926 119.950 0.013 0.000 2.665 301 F HA 0.795 5.412 4.527 0.151 0.000 0.308 301 F C -0.877 174.919 175.800 -0.007 0.000 1.112 301 F CA -1.836 56.164 58.000 -0.001 0.000 0.972 301 F CB 0.410 39.407 39.000 -0.005 0.000 1.295 301 F HN 0.603 nan 8.300 nan 0.000 0.440 302 A N 1.583 124.441 122.820 0.063 0.000 2.386 302 A HA 0.893 5.303 4.320 0.150 0.000 0.248 302 A C -0.086 177.538 177.584 0.066 0.000 1.082 302 A CA 0.388 52.427 52.037 0.003 0.000 0.789 302 A CB 0.264 19.278 19.000 0.023 0.000 1.025 302 A HN 2.083 nan 8.150 nan 0.000 0.490 303 A N 0.310 123.130 122.820 -0.001 0.000 2.493 303 A HA 0.857 5.267 4.320 0.150 0.000 0.300 303 A C -0.538 177.030 177.584 -0.026 0.000 1.152 303 A CA -0.193 51.859 52.037 0.024 0.000 0.643 303 A CB 0.713 19.739 19.000 0.042 0.000 1.316 303 A HN 1.244 nan 8.150 nan 0.000 0.469 304 T N 0.300 114.827 114.554 -0.045 0.000 2.993 304 T HA 0.678 5.118 4.350 0.150 0.000 0.312 304 T C -0.797 173.831 174.700 -0.120 0.000 1.115 304 T CA -0.068 61.994 62.100 -0.062 0.000 1.027 304 T CB 0.950 69.799 68.868 -0.031 0.000 1.116 304 T HN 0.619 nan 8.240 nan 0.000 0.464 305 I N 0.925 121.402 120.570 -0.154 0.000 3.354 305 I HA 0.776 5.036 4.170 0.150 0.000 0.316 305 I C -0.446 175.593 176.117 -0.131 0.000 1.182 305 I CA -1.100 60.059 61.300 -0.234 0.000 0.942 305 I CB 2.209 39.885 38.000 -0.541 0.000 1.299 305 I HN 0.769 nan 8.210 nan 0.000 0.473 306 E N 1.728 121.867 120.200 -0.100 0.000 2.432 306 E HA 0.467 4.907 4.350 0.150 0.000 0.272 306 E C -0.841 175.773 176.600 0.024 0.000 0.937 306 E CA -0.518 55.866 56.400 -0.027 0.000 0.812 306 E CB 1.597 31.291 29.700 -0.009 0.000 1.377 306 E HN 0.510 nan 8.360 nan 0.000 0.399 307 S N 1.256 116.978 115.700 0.036 0.000 2.549 307 S HA 0.205 4.765 4.470 0.150 0.000 0.286 307 S C 0.595 175.243 174.600 0.079 0.000 1.314 307 S CA -0.090 58.165 58.200 0.092 0.000 1.062 307 S CB 0.396 63.640 63.200 0.072 0.000 0.865 307 S HN 0.446 nan 8.310 nan 0.000 0.498 308 K N 2.217 122.679 120.400 0.103 0.000 2.373 308 K HA 0.450 4.859 4.320 0.150 0.000 0.202 308 K C -0.212 176.428 176.600 0.067 0.000 1.025 308 K CA 0.198 56.532 56.287 0.078 0.000 1.115 308 K CB 0.424 32.976 32.500 0.088 0.000 0.858 308 K HN 0.629 nan 8.250 nan 0.000 0.525 309 A N 0.965 123.826 122.820 0.069 0.000 2.590 309 A HA 0.319 4.728 4.320 0.150 0.000 0.309 309 A C -1.494 176.114 177.584 0.040 0.000 1.039 309 A CA -0.904 51.171 52.037 0.064 0.000 0.824 309 A CB 0.662 19.714 19.000 0.088 0.000 1.247 309 A HN 0.077 nan 8.150 nan 0.000 0.394 310 K N 2.225 122.632 120.400 0.013 0.000 2.285 310 K HA 0.585 4.995 4.320 0.150 0.000 0.286 310 K C -0.758 175.794 176.600 -0.079 0.000 1.072 310 K CA 0.106 56.370 56.287 -0.038 0.000 0.913 310 K CB 0.650 33.120 32.500 -0.050 0.000 1.067 310 K HN 0.563 nan 8.250 nan 0.000 0.479 311 L N 2.484 123.631 121.223 -0.127 0.000 2.334 311 L HA 0.538 4.967 4.340 0.150 0.000 0.273 311 L C -0.334 176.337 176.870 -0.332 0.000 1.013 311 L CA -1.454 53.244 54.840 -0.238 0.000 0.816 311 L CB 1.629 43.600 42.059 -0.146 0.000 1.278 311 L HN 0.201 nan 8.230 nan 0.000 0.431 312 V N 1.226 120.875 119.914 -0.442 0.000 2.435 312 V HA 0.183 4.393 4.120 0.150 0.000 0.290 312 V C 0.525 176.467 176.094 -0.253 0.000 1.030 312 V CA -0.387 61.686 62.300 -0.377 0.000 0.881 312 V CB 1.209 32.816 31.823 -0.359 0.000 0.983 312 V HN 0.618 nan 8.190 nan 0.000 0.445 313 Y N 1.802 122.022 120.300 -0.134 0.000 2.151 313 Y HA -0.287 4.353 4.550 0.151 0.000 0.284 313 Y C 2.468 178.324 175.900 -0.073 0.000 1.166 313 Y CA 1.744 59.793 58.100 -0.085 0.000 1.163 313 Y CB 0.036 38.462 38.460 -0.057 0.000 0.974 313 Y HN 0.860 nan 8.280 nan 0.000 0.511 314 D N -0.122 120.320 120.400 0.069 0.000 2.137 314 D HA -0.164 4.565 4.640 0.150 0.000 0.202 314 D C 1.614 177.920 176.300 0.009 0.000 0.970 314 D CA 1.166 55.188 54.000 0.036 0.000 0.837 314 D CB -0.591 40.221 40.800 0.020 0.000 0.981 314 D HN 0.427 nan 8.370 nan 0.000 0.475 315 Q N 0.355 120.086 119.800 -0.115 0.000 2.096 315 Q HA -0.095 4.334 4.340 0.150 0.000 0.204 315 Q C 2.621 178.630 176.000 0.015 0.000 0.982 315 Q CA 1.453 57.143 55.803 -0.187 0.000 0.850 315 Q CB 0.038 28.287 28.738 -0.816 0.000 0.901 315 Q HN 0.237 nan 8.270 nan 0.000 0.422 316 V N 0.259 120.152 119.914 -0.036 0.000 2.379 316 V HA -0.188 4.022 4.120 0.150 0.000 0.245 316 V C 2.174 178.438 176.094 0.283 0.000 1.044 316 V CA 1.726 64.137 62.300 0.186 0.000 1.036 316 V CB -0.347 31.543 31.823 0.111 0.000 0.664 316 V HN 0.268 nan 8.190 nan 0.000 0.453 317 S N -0.028 115.779 115.700 0.177 0.000 2.368 317 S HA -0.211 4.349 4.470 0.150 0.000 0.225 317 S C 1.756 176.449 174.600 0.155 0.000 1.030 317 S CA 1.500 59.786 58.200 0.144 0.000 0.999 317 S CB -0.387 62.866 63.200 0.087 0.000 0.844 317 S HN 0.578 nan 8.310 nan 0.000 0.459 318 D N 0.041 120.548 120.400 0.179 0.000 2.117 318 D HA -0.092 4.637 4.640 0.150 0.000 0.197 318 D C 1.419 177.861 176.300 0.237 0.000 0.987 318 D CA 0.730 54.836 54.000 0.177 0.000 0.829 318 D CB -0.225 40.682 40.800 0.179 0.000 0.961 318 D HN 0.503 nan 8.370 nan 0.000 0.460 319 W N 1.617 123.009 121.300 0.153 0.000 2.353 319 W HA -0.100 4.651 4.660 0.151 0.000 0.319 319 W C 2.170 178.744 176.519 0.093 0.000 1.207 319 W CA 1.108 58.544 57.345 0.152 0.000 1.291 319 W CB -0.673 28.938 29.460 0.253 0.000 1.159 319 W HN -0.101 nan 8.180 nan 0.000 0.478 320 L N 0.587 121.866 121.223 0.094 0.000 2.021 320 L HA -0.274 4.156 4.340 0.150 0.000 0.215 320 L C 2.801 179.582 176.870 -0.147 0.000 1.074 320 L CA 2.348 57.113 54.840 -0.125 0.000 0.760 320 L CB -1.856 40.233 42.059 0.049 0.000 0.889 320 L HN 0.274 nan 8.230 nan 0.000 0.433 321 E N 0.355 120.528 120.200 -0.045 0.000 2.047 321 E HA -0.035 4.405 4.350 0.150 0.000 0.191 321 E C 1.002 177.556 176.600 -0.077 0.000 0.987 321 E CA 1.448 57.820 56.400 -0.047 0.000 0.799 321 E CB -0.902 28.798 29.700 0.000 0.000 0.752 321 E HN 0.722 nan 8.360 nan 0.000 0.449 322 N N -1.217 117.447 118.700 -0.060 0.000 5.369 322 N HA 0.200 5.030 4.740 0.150 0.000 0.251 322 N C -0.218 175.310 175.510 0.029 0.000 1.419 322 N CA 0.727 53.745 53.050 -0.053 0.000 1.661 322 N CB -1.707 36.738 38.487 -0.070 0.000 1.309 322 N HN 0.705 nan 8.380 nan 0.000 0.773 323 T N -1.040 113.571 114.554 0.096 0.000 2.844 323 T HA 0.866 5.306 4.350 0.150 0.000 0.274 323 T C 1.482 176.248 174.700 0.111 0.000 0.991 323 T CA 1.026 63.195 62.100 0.116 0.000 0.983 323 T CB 1.339 70.309 68.868 0.171 0.000 1.310 323 T HN 1.607 nan 8.240 nan 0.000 0.596 324 G N -0.223 108.640 108.800 0.104 0.000 3.192 324 G HA2 0.193 4.243 3.960 0.150 0.000 0.239 324 G HA3 0.193 4.243 3.960 0.150 0.000 0.239 324 G C 0.484 175.448 174.900 0.106 0.000 1.084 324 G CA -0.036 45.118 45.100 0.090 0.000 0.784 324 G HN 0.636 nan 8.290 nan 0.000 0.540 325 D N 0.004 120.491 120.400 0.144 0.000 2.397 325 D HA 0.054 4.784 4.640 0.150 0.000 0.262 325 D C 0.381 176.809 176.300 0.213 0.000 1.323 325 D CA -0.140 53.959 54.000 0.164 0.000 0.999 325 D CB -0.198 40.703 40.800 0.168 0.000 0.971 325 D HN 0.216 nan 8.370 nan 0.000 0.338 326 W N 1.422 122.757 121.300 0.059 0.000 2.253 326 W HA 0.333 5.083 4.660 0.149 0.000 0.348 326 W C -0.148 176.373 176.519 0.003 0.000 1.229 326 W CA -0.155 57.200 57.345 0.016 0.000 1.335 326 W CB 0.709 30.166 29.460 -0.004 0.000 1.165 326 W HN -0.089 nan 8.180 nan 0.000 0.631 327 Q N 4.125 123.332 119.800 -0.989 0.000 2.352 327 Q HA 0.296 4.726 4.340 0.150 0.000 0.270 327 Q C -2.646 172.196 176.000 -1.930 0.000 1.006 327 Q CA -1.941 53.147 55.803 -1.192 0.000 0.880 327 Q CB 2.177 30.617 28.738 -0.497 0.000 1.392 327 Q HN 0.121 nan 8.270 nan 0.000 0.401 328 P HA -0.062 nan 4.420 nan 0.000 0.264 328 P C -0.156 176.727 177.300 -0.695 0.000 1.183 328 P CA 0.436 62.775 63.100 -1.267 0.000 0.763 328 P CB 0.532 31.692 31.700 -0.900 0.000 0.807 329 E N 1.161 121.111 120.200 -0.416 0.000 2.347 329 E HA -0.046 4.393 4.350 0.150 0.000 0.196 329 E C -0.230 176.272 176.600 -0.164 0.000 1.008 329 E CA 0.631 56.889 56.400 -0.237 0.000 0.852 329 E CB 0.304 29.945 29.700 -0.097 0.000 0.783 329 E HN 0.530 nan 8.360 nan 0.000 0.505 330 S N -0.863 114.741 115.700 -0.159 0.000 2.618 330 S HA 0.209 4.769 4.470 0.150 0.000 0.277 330 S C 0.277 174.816 174.600 -0.103 0.000 1.138 330 S CA -0.912 57.228 58.200 -0.100 0.000 0.844 330 S CB 1.683 64.853 63.200 -0.050 0.000 1.127 330 S HN -0.038 nan 8.310 nan 0.000 0.474 331 E N 1.678 121.842 120.200 -0.060 0.000 2.106 331 E HA -0.016 4.424 4.350 0.150 0.000 0.192 331 E C 1.821 178.409 176.600 -0.019 0.000 0.984 331 E CA 1.781 58.158 56.400 -0.038 0.000 0.806 331 E CB -0.568 29.124 29.700 -0.013 0.000 0.750 331 E HN 0.766 nan 8.360 nan 0.000 0.458 332 A N 0.488 123.303 122.820 -0.007 0.000 2.016 332 A HA -0.022 4.388 4.320 0.150 0.000 0.217 332 A C 2.014 179.606 177.584 0.015 0.000 1.162 332 A CA 0.896 52.944 52.037 0.018 0.000 0.662 332 A CB -0.404 18.618 19.000 0.037 0.000 0.812 332 A HN 0.292 nan 8.150 nan 0.000 0.450 333 I N 0.215 120.776 120.570 -0.014 0.000 2.113 333 I HA -0.236 4.024 4.170 0.150 0.000 0.238 333 I C 2.979 179.060 176.117 -0.059 0.000 1.070 333 I CA 1.523 62.807 61.300 -0.026 0.000 1.332 333 I CB -1.713 36.258 38.000 -0.049 0.000 1.044 333 I HN 0.348 nan 8.210 nan 0.000 0.402 334 A N 0.537 123.277 122.820 -0.133 0.000 1.997 334 A HA -0.255 4.155 4.320 0.150 0.000 0.221 334 A C 2.241 179.878 177.584 0.088 0.000 1.172 334 A CA 1.961 53.924 52.037 -0.124 0.000 0.645 334 A CB -0.713 18.233 19.000 -0.090 0.000 0.813 334 A HN 0.545 nan 8.150 nan 0.000 0.454 335 E N -0.995 119.236 120.200 0.052 0.000 2.017 335 E HA -0.216 4.224 4.350 0.150 0.000 0.193 335 E C 2.348 178.967 176.600 0.032 0.000 0.997 335 E CA 1.149 57.581 56.400 0.054 0.000 0.804 335 E CB -0.220 29.498 29.700 0.029 0.000 0.757 335 E HN 0.504 nan 8.360 nan 0.000 0.448 336 Q N 0.515 120.318 119.800 0.006 0.000 2.047 336 Q HA -0.207 4.223 4.340 0.150 0.000 0.211 336 Q C 2.447 178.452 176.000 0.008 0.000 1.005 336 Q CA 1.345 57.129 55.803 -0.031 0.000 0.866 336 Q CB -0.868 27.862 28.738 -0.013 0.000 0.938 336 Q HN 0.197 nan 8.270 nan 0.000 0.414 337 V N 0.952 120.912 119.914 0.075 0.000 2.252 337 V HA -0.316 3.894 4.120 0.150 0.000 0.249 337 V C 2.439 178.633 176.094 0.166 0.000 1.056 337 V CA 2.340 64.732 62.300 0.154 0.000 1.022 337 V CB -0.547 31.424 31.823 0.246 0.000 0.641 337 V HN 0.369 nan 8.190 nan 0.000 0.445 338 R N -0.727 119.888 120.500 0.191 0.000 2.152 338 R HA -0.084 4.346 4.340 0.150 0.000 0.232 338 R C 2.210 178.538 176.300 0.045 0.000 1.117 338 R CA 1.197 57.371 56.100 0.123 0.000 0.981 338 R CB -0.332 30.040 30.300 0.120 0.000 0.870 338 R HN 0.461 nan 8.270 nan 0.000 0.451 339 L N 0.150 121.379 121.223 0.011 0.000 2.049 339 L HA -0.128 4.302 4.340 0.150 0.000 0.203 339 L C 2.240 179.087 176.870 -0.039 0.000 1.074 339 L CA 1.024 55.840 54.840 -0.040 0.000 0.749 339 L CB -0.417 41.578 42.059 -0.107 0.000 0.907 339 L HN 0.148 nan 8.230 nan 0.000 0.439 340 L N -0.123 121.078 121.223 -0.037 0.000 2.129 340 L HA -0.262 4.168 4.340 0.150 0.000 0.212 340 L C 2.782 179.658 176.870 0.011 0.000 1.087 340 L CA 1.202 56.029 54.840 -0.021 0.000 0.757 340 L CB -0.785 41.270 42.059 -0.006 0.000 0.896 340 L HN 0.294 nan 8.230 nan 0.000 0.434 341 A N -0.724 122.114 122.820 0.031 0.000 1.897 341 A HA -0.236 4.174 4.320 0.150 0.000 0.215 341 A C 2.276 179.870 177.584 0.016 0.000 1.181 341 A CA 1.425 53.482 52.037 0.034 0.000 0.620 341 A CB -0.473 18.555 19.000 0.048 0.000 0.821 341 A HN 0.446 nan 8.150 nan 0.000 0.443 342 Q N -0.274 119.530 119.800 0.008 0.000 2.135 342 Q HA -0.161 4.268 4.340 0.150 0.000 0.204 342 Q C 1.926 177.928 176.000 0.003 0.000 0.981 342 Q CA 1.629 57.434 55.803 0.002 0.000 0.856 342 Q CB -0.268 28.467 28.738 -0.005 0.000 0.902 342 Q HN 0.741 nan 8.270 nan 0.000 0.425 343 I N -0.139 120.427 120.570 -0.006 0.000 2.090 343 I HA -0.375 3.885 4.170 0.150 0.000 0.236 343 I C 2.762 178.887 176.117 0.013 0.000 1.064 343 I CA 1.034 62.331 61.300 -0.005 0.000 1.324 343 I CB -0.730 37.256 38.000 -0.023 0.000 1.044 343 I HN 0.459 nan 8.210 nan 0.000 0.399 344 C N 0.968 120.278 119.300 0.016 0.000 2.375 344 C HA -0.279 4.271 4.460 0.150 0.000 0.274 344 C C 2.895 177.904 174.990 0.032 0.000 1.190 344 C CA 1.848 60.882 59.018 0.027 0.000 1.775 344 C CB -1.113 26.643 27.740 0.027 0.000 2.067 344 C HN 0.501 nan 8.230 nan 0.000 0.463 345 Q N -0.480 119.335 119.800 0.024 0.000 2.020 345 Q HA -0.166 4.263 4.340 0.150 0.000 0.202 345 Q C 2.539 178.562 176.000 0.039 0.000 0.982 345 Q CA 1.999 57.815 55.803 0.022 0.000 0.838 345 Q CB -0.152 28.591 28.738 0.009 0.000 0.899 345 Q HN 0.688 nan 8.270 nan 0.000 0.423 346 R N -0.181 120.347 120.500 0.047 0.000 2.105 346 R HA -0.150 4.280 4.340 0.150 0.000 0.239 346 R C 2.247 178.623 176.300 0.126 0.000 1.135 346 R CA 1.402 57.549 56.100 0.077 0.000 0.967 346 R CB -0.201 30.139 30.300 0.067 0.000 0.861 346 R HN -0.003 nan 8.270 nan 0.000 0.442 347 R N 0.462 121.022 120.500 0.101 0.000 2.161 347 R HA 0.027 4.457 4.340 0.150 0.000 0.213 347 R C 2.053 178.454 176.300 0.169 0.000 1.055 347 R CA 1.292 57.464 56.100 0.119 0.000 0.996 347 R CB -0.594 29.735 30.300 0.049 0.000 0.901 347 R HN 0.278 nan 8.270 nan 0.000 0.456 348 G N -0.060 108.813 108.800 0.123 0.000 2.408 348 G HA2 -0.212 3.838 3.960 0.150 0.000 0.217 348 G HA3 -0.212 3.838 3.960 0.150 0.000 0.217 348 G C 1.181 176.165 174.900 0.139 0.000 1.150 348 G CA 0.517 45.687 45.100 0.118 0.000 0.776 348 G HN 0.412 nan 8.290 nan 0.000 0.542 349 E N -0.812 119.461 120.200 0.122 0.000 2.153 349 E HA -0.131 4.308 4.350 0.150 0.000 0.194 349 E C 1.937 178.630 176.600 0.155 0.000 0.988 349 E CA 0.683 57.146 56.400 0.105 0.000 0.811 349 E CB -0.190 29.550 29.700 0.066 0.000 0.746 349 E HN 0.673 nan 8.360 nan 0.000 0.466 350 W N 1.436 122.762 121.300 0.043 0.000 2.381 350 W HA -0.109 4.642 4.660 0.151 0.000 0.301 350 W C 1.889 178.429 176.519 0.035 0.000 1.205 350 W CA 1.153 58.536 57.345 0.065 0.000 1.285 350 W CB 0.177 29.723 29.460 0.142 0.000 1.133 350 W HN -0.164 nan 8.180 nan 0.000 0.521 351 R N -0.877 119.886 120.500 0.438 0.000 2.235 351 R HA -0.149 4.281 4.340 0.150 0.000 0.213 351 R C 2.258 178.583 176.300 0.042 0.000 1.059 351 R CA 1.196 57.464 56.100 0.281 0.000 0.997 351 R CB -0.845 29.644 30.300 0.316 0.000 0.884 351 R HN 0.414 nan 8.270 nan 0.000 0.462 352 H N 0.907 119.940 119.070 -0.062 0.000 2.395 352 H HA 0.032 4.678 4.556 0.150 0.000 0.299 352 H C 1.184 176.376 175.328 -0.227 0.000 1.070 352 H CA 1.075 57.056 56.048 -0.111 0.000 1.356 352 H CB 0.401 30.113 29.762 -0.082 0.000 1.401 352 H HN 0.144 nan 8.280 nan 0.000 0.524 353 N N -0.275 118.166 118.700 -0.432 0.000 2.368 353 N HA -0.062 4.768 4.740 0.150 0.000 0.176 353 N C 0.792 175.803 175.510 -0.831 0.000 1.021 353 N CA 0.686 53.311 53.050 -0.708 0.000 0.888 353 N CB 0.179 38.081 38.487 -0.975 0.000 0.995 353 N HN 0.559 nan 8.380 nan 0.000 0.437 354 H N -1.417 117.287 119.070 -0.608 0.000 3.440 354 H HA 0.499 5.145 4.556 0.150 0.000 0.259 354 H C 0.514 175.541 175.328 -0.503 0.000 1.120 354 H CA -0.024 55.587 56.048 -0.729 0.000 1.191 354 H CB 1.192 30.103 29.762 -1.419 0.000 1.537 354 H HN 0.092 nan 8.280 nan 0.000 0.547 355 A N 0.723 123.383 122.820 -0.265 0.000 3.886 355 A HA 0.706 5.116 4.320 0.150 0.000 0.217 355 A C -1.286 176.263 177.584 -0.058 0.000 0.876 355 A CA -0.564 51.431 52.037 -0.071 0.000 0.726 355 A CB 0.727 19.786 19.000 0.098 0.000 1.479 355 A HN 0.066 nan 8.150 nan 0.000 0.792 356 L N 0.602 121.831 121.223 0.010 0.000 2.362 356 L HA 0.576 5.006 4.340 0.150 0.000 0.275 356 L C -1.207 175.698 176.870 0.058 0.000 0.998 356 L CA -0.966 53.889 54.840 0.025 0.000 0.820 356 L CB 1.947 44.047 42.059 0.069 0.000 1.270 356 L HN 0.349 nan 8.230 nan 0.000 0.415 357 V N 2.782 122.732 119.914 0.061 0.000 2.383 357 V HA 0.209 4.419 4.120 0.150 0.000 0.275 357 V C -0.109 176.051 176.094 0.110 0.000 1.036 357 V CA -0.475 61.879 62.300 0.090 0.000 0.889 357 V CB 1.179 33.052 31.823 0.083 0.000 0.985 357 V HN 0.430 nan 8.190 nan 0.000 0.459 358 F N 5.079 125.018 119.950 -0.017 0.000 2.571 358 F HA 0.181 4.798 4.527 0.150 0.000 0.384 358 F C 0.934 176.726 175.800 -0.013 0.000 1.058 358 F CA -0.327 57.661 58.000 -0.019 0.000 1.200 358 F CB 0.315 39.294 39.000 -0.035 0.000 1.077 358 F HN 0.464 nan 8.300 nan 0.000 0.558 359 K N 5.715 125.753 120.400 -0.603 0.000 2.166 359 K HA 0.044 4.454 4.320 0.150 0.000 0.273 359 K C -0.677 175.385 176.600 -0.897 0.000 1.095 359 K CA -0.528 55.424 56.287 -0.557 0.000 0.985 359 K CB -0.508 31.762 32.500 -0.383 0.000 1.172 359 K HN 0.597 nan 8.250 nan 0.000 0.401 360 D N 3.374 123.464 120.400 -0.517 0.000 2.425 360 D HA 0.016 4.746 4.640 0.150 0.000 0.247 360 D C -0.053 176.120 176.300 -0.211 0.000 1.147 360 D CA -0.126 53.700 54.000 -0.291 0.000 0.879 360 D CB 0.617 41.405 40.800 -0.021 0.000 1.179 360 D HN 0.167 nan 8.370 nan 0.000 0.456 361 R N 2.393 122.827 120.500 -0.111 0.000 2.560 361 R HA 0.372 4.802 4.340 0.150 0.000 0.270 361 R C -2.150 174.080 176.300 -0.115 0.000 1.074 361 R CA -1.640 54.419 56.100 -0.068 0.000 1.140 361 R CB -0.551 29.771 30.300 0.036 0.000 1.073 361 R HN 0.395 nan 8.270 nan 0.000 0.527 362 P HA -0.001 nan 4.420 nan 0.000 0.267 362 P C -0.677 176.242 177.300 -0.635 0.000 1.205 362 P CA 0.062 62.899 63.100 -0.438 0.000 0.765 362 P CB 0.330 31.681 31.700 -0.581 0.000 0.828 363 D N 2.705 122.842 120.400 -0.437 0.000 2.380 363 D HA 0.139 4.869 4.640 0.150 0.000 0.230 363 D C -0.951 175.164 176.300 -0.307 0.000 1.154 363 D CA -0.382 53.446 54.000 -0.288 0.000 0.859 363 D CB -0.115 40.608 40.800 -0.129 0.000 1.045 363 D HN 0.218 nan 8.370 nan 0.000 0.495 364 Y N 2.781 123.079 120.300 -0.003 0.000 2.304 364 Y HA 0.434 5.074 4.550 0.149 0.000 0.328 364 Y C 0.918 176.768 175.900 -0.083 0.000 1.123 364 Y CA -0.513 57.545 58.100 -0.069 0.000 1.218 364 Y CB 1.100 39.512 38.460 -0.081 0.000 1.207 364 Y HN 0.083 nan 8.280 nan 0.000 0.495 365 R N 2.797 123.306 120.500 0.015 0.000 2.621 365 R HA 0.412 4.842 4.340 0.150 0.000 0.292 365 R C -1.728 174.516 176.300 -0.093 0.000 0.969 365 R CA -0.967 55.153 56.100 0.033 0.000 0.887 365 R CB 1.561 31.887 30.300 0.043 0.000 1.180 365 R HN 0.465 nan 8.270 nan 0.000 0.450 366 F N 3.356 123.282 119.950 -0.039 0.000 2.420 366 F HA 0.327 4.944 4.527 0.150 0.000 0.352 366 F C 0.736 176.510 175.800 -0.043 0.000 1.108 366 F CA -0.476 57.463 58.000 -0.103 0.000 1.162 366 F CB 0.748 39.673 39.000 -0.124 0.000 1.118 366 F HN 0.184 nan 8.300 nan 0.000 0.510 367 I N 6.059 126.665 120.570 0.060 0.000 2.306 367 I HA 0.266 4.526 4.170 0.150 0.000 0.288 367 I C -0.411 175.754 176.117 0.080 0.000 1.036 367 I CA -0.258 61.078 61.300 0.060 0.000 1.221 367 I CB 0.408 38.420 38.000 0.021 0.000 1.385 367 I HN 0.418 nan 8.210 nan 0.000 0.472 368 L N 5.065 126.351 121.223 0.104 0.000 2.352 368 L HA 0.707 5.137 4.340 0.150 0.000 0.269 368 L C 0.976 177.889 176.870 0.073 0.000 1.034 368 L CA -0.540 54.364 54.840 0.108 0.000 0.806 368 L CB 1.475 43.622 42.059 0.147 0.000 1.244 368 L HN 0.561 nan 8.230 nan 0.000 0.447 369 G N -0.248 108.592 108.800 0.067 0.000 2.641 369 G HA2 0.456 4.506 3.960 0.150 0.000 0.239 369 G HA3 0.456 4.506 3.960 0.150 0.000 0.239 369 G C 0.681 175.604 174.900 0.038 0.000 1.402 369 G CA 0.531 45.659 45.100 0.047 0.000 1.046 369 G HN 0.710 nan 8.290 nan 0.000 0.565 370 E N -0.242 119.979 120.200 0.035 0.000 2.006 370 E HA -0.062 4.378 4.350 0.150 0.000 0.192 370 E C 1.872 178.535 176.600 0.105 0.000 0.993 370 E CA 1.539 57.969 56.400 0.051 0.000 0.808 370 E CB -0.648 29.081 29.700 0.049 0.000 0.764 370 E HN 0.487 nan 8.360 nan 0.000 0.449 371 K N -0.196 120.242 120.400 0.063 0.000 3.025 371 K HA 0.358 4.768 4.320 0.150 0.000 0.260 371 K C 0.863 177.387 176.600 -0.128 0.000 1.023 371 K CA 0.426 56.711 56.287 -0.004 0.000 1.194 371 K CB -0.322 32.081 32.500 -0.162 0.000 1.094 371 K HN 0.556 nan 8.250 nan 0.000 0.460 372 G N 0.948 109.781 108.800 0.055 0.000 2.179 372 G HA2 -0.288 3.761 3.960 0.150 0.000 0.257 372 G HA3 -0.288 3.761 3.960 0.150 0.000 0.257 372 G C -0.250 174.723 174.900 0.122 0.000 1.010 372 G CA -0.135 45.018 45.100 0.088 0.000 0.736 372 G HN 0.414 nan 8.290 nan 0.000 0.513 373 E N -0.396 119.825 120.200 0.036 0.000 2.413 373 E HA 0.260 4.700 4.350 0.150 0.000 0.263 373 E C 0.652 177.315 176.600 0.105 0.000 1.015 373 E CA -0.017 56.408 56.400 0.042 0.000 0.916 373 E CB 1.454 31.161 29.700 0.012 0.000 0.947 373 E HN 0.180 nan 8.360 nan 0.000 0.440 374 V N 5.326 125.325 119.914 0.142 0.000 2.368 374 V HA 0.032 4.242 4.120 0.150 0.000 0.266 374 V C 1.373 177.588 176.094 0.201 0.000 1.045 374 V CA -0.011 62.384 62.300 0.158 0.000 0.899 374 V CB 0.375 32.303 31.823 0.174 0.000 1.006 374 V HN 0.576 nan 8.190 nan 0.000 0.470 375 L N 2.059 123.363 121.223 0.135 0.000 2.202 375 L HA 0.354 4.784 4.340 0.150 0.000 0.205 375 L C 0.701 177.696 176.870 0.208 0.000 1.083 375 L CA 0.898 55.838 54.840 0.167 0.000 0.790 375 L CB 0.089 42.212 42.059 0.105 0.000 0.942 375 L HN 0.642 nan 8.230 nan 0.000 0.452 376 D N -1.503 118.905 120.400 0.015 0.000 2.671 376 D HA 0.454 5.184 4.640 0.150 0.000 0.273 376 D C -1.554 174.503 176.300 -0.406 0.000 1.264 376 D CA -0.435 53.510 54.000 -0.092 0.000 0.788 376 D CB 1.966 42.815 40.800 0.082 0.000 1.324 376 D HN -0.102 nan 8.370 nan 0.000 0.424 377 I N 1.705 121.997 120.570 -0.464 0.000 2.531 377 I HA 0.395 4.655 4.170 0.150 0.000 0.283 377 I C -0.320 175.712 176.117 -0.143 0.000 1.083 377 I CA -0.989 60.027 61.300 -0.473 0.000 1.071 377 I CB 1.575 39.100 38.000 -0.793 0.000 1.210 377 I HN 0.243 nan 8.210 nan 0.000 0.450 378 V N 2.367 122.249 119.914 -0.054 0.000 3.001 378 V HA 0.993 5.203 4.120 0.150 0.000 0.314 378 V C -0.247 175.881 176.094 0.056 0.000 1.099 378 V CA -0.601 61.729 62.300 0.049 0.000 0.989 378 V CB 1.948 33.788 31.823 0.029 0.000 1.040 378 V HN 0.702 nan 8.190 nan 0.000 0.434 379 A N 1.930 124.766 122.820 0.026 0.000 2.317 379 A HA 0.753 5.163 4.320 0.150 0.000 0.327 379 A C -0.168 177.366 177.584 -0.083 0.000 1.178 379 A CA -0.686 51.274 52.037 -0.128 0.000 0.817 379 A CB 0.572 19.391 19.000 -0.302 0.000 1.189 379 A HN 0.942 nan 8.150 nan 0.000 0.489 380 E N 3.190 123.334 120.200 -0.093 0.000 2.174 380 E HA 0.376 4.816 4.350 0.150 0.000 0.282 380 E C -2.353 174.194 176.600 -0.089 0.000 0.992 380 E CA -1.706 54.654 56.400 -0.067 0.000 0.803 380 E CB 1.164 30.836 29.700 -0.048 0.000 1.090 380 E HN 0.511 nan 8.360 nan 0.000 0.396 381 P HA 0.125 nan 4.420 nan 0.000 0.280 381 P C -0.578 176.672 177.300 -0.083 0.000 1.244 381 P CA -0.348 62.706 63.100 -0.076 0.000 0.784 381 P CB 0.830 32.499 31.700 -0.052 0.000 0.913 382 R N 3.116 123.559 120.500 -0.095 0.000 2.370 382 R HA 0.183 4.613 4.340 0.150 0.000 0.309 382 R C 0.926 177.171 176.300 -0.092 0.000 1.059 382 R CA 0.009 56.039 56.100 -0.116 0.000 0.981 382 R CB 0.595 30.827 30.300 -0.115 0.000 0.972 382 R HN 0.506 nan 8.270 nan 0.000 0.437 383 R N 2.030 122.471 120.500 -0.098 0.000 2.602 383 R HA 0.214 4.644 4.340 0.150 0.000 0.237 383 R C 1.660 177.931 176.300 -0.049 0.000 1.219 383 R CA -0.752 55.315 56.100 -0.055 0.000 1.121 383 R CB 0.468 30.754 30.300 -0.024 0.000 1.408 383 R HN 0.549 nan 8.270 nan 0.000 0.559 384 I N 0.975 121.538 120.570 -0.011 0.000 2.286 384 I HA -0.263 3.997 4.170 0.150 0.000 0.248 384 I C 1.970 178.099 176.117 0.019 0.000 1.115 384 I CA 1.689 62.991 61.300 0.004 0.000 1.392 384 I CB -0.100 37.912 38.000 0.019 0.000 1.065 384 I HN 0.753 nan 8.210 nan 0.000 0.418 385 A N 0.604 123.451 122.820 0.045 0.000 1.930 385 A HA -0.226 4.184 4.320 0.150 0.000 0.217 385 A C 1.875 179.488 177.584 0.048 0.000 1.175 385 A CA 2.014 54.115 52.037 0.107 0.000 0.627 385 A CB -0.950 18.168 19.000 0.197 0.000 0.815 385 A HN 0.563 nan 8.150 nan 0.000 0.443 386 N N -0.417 118.177 118.700 -0.175 0.000 2.104 386 N HA -0.170 4.660 4.740 0.150 0.000 0.190 386 N C 1.924 177.333 175.510 -0.169 0.000 1.024 386 N CA 1.571 54.378 53.050 -0.405 0.000 0.853 386 N CB -0.232 37.988 38.487 -0.446 0.000 1.008 386 N HN 0.450 nan 8.380 nan 0.000 0.424 387 R N 0.455 120.903 120.500 -0.086 0.000 2.081 387 R HA -0.033 4.397 4.340 0.150 0.000 0.235 387 R C 2.076 178.378 176.300 0.003 0.000 1.131 387 R CA 0.983 57.064 56.100 -0.031 0.000 0.960 387 R CB -0.344 29.946 30.300 -0.016 0.000 0.856 387 R HN 0.277 nan 8.270 nan 0.000 0.436 388 I N -0.021 120.563 120.570 0.023 0.000 2.127 388 I HA -0.283 3.976 4.170 0.150 0.000 0.241 388 I C 2.065 178.213 176.117 0.053 0.000 1.075 388 I CA 1.274 62.601 61.300 0.045 0.000 1.334 388 I CB -0.155 37.887 38.000 0.069 0.000 1.040 388 I HN -0.010 nan 8.210 nan 0.000 0.405 389 V N 0.383 120.345 119.914 0.080 0.000 2.759 389 V HA -0.216 3.994 4.120 0.150 0.000 0.256 389 V C 2.306 178.431 176.094 0.052 0.000 1.080 389 V CA 1.651 64.008 62.300 0.095 0.000 1.101 389 V CB -0.578 31.371 31.823 0.210 0.000 0.698 389 V HN 0.422 nan 8.190 nan 0.000 0.477 390 E N 0.707 120.923 120.200 0.026 0.000 2.016 390 E HA -0.171 4.269 4.350 0.150 0.000 0.190 390 E C 2.237 178.859 176.600 0.037 0.000 0.985 390 E CA 1.299 57.711 56.400 0.019 0.000 0.802 390 E CB -0.180 29.520 29.700 -0.000 0.000 0.762 390 E HN 0.489 nan 8.360 nan 0.000 0.448 391 E N 0.830 121.053 120.200 0.037 0.000 2.153 391 E HA -0.079 4.361 4.350 0.150 0.000 0.194 391 E C 0.930 177.557 176.600 0.044 0.000 0.988 391 E CA 0.779 57.207 56.400 0.047 0.000 0.811 391 E CB -0.484 29.243 29.700 0.046 0.000 0.746 391 E HN 0.333 nan 8.360 nan 0.000 0.466 395 A N 1.238 124.128 122.820 0.117 0.000 1.948 395 A HA -0.141 4.269 4.320 0.150 0.000 0.220 395 A C 2.292 179.958 177.584 0.137 0.000 1.177 395 A CA 2.628 54.712 52.037 0.077 0.000 0.636 395 A CB -0.728 18.284 19.000 0.019 0.000 0.815 395 A HN 0.516 nan 8.150 nan 0.000 0.449 396 A N -0.272 122.643 122.820 0.158 0.000 1.930 396 A HA -0.160 4.250 4.320 0.150 0.000 0.217 396 A C 1.912 179.765 177.584 0.449 0.000 1.175 396 A CA 1.721 53.923 52.037 0.276 0.000 0.627 396 A CB -0.487 18.604 19.000 0.151 0.000 0.815 396 A HN 0.530 nan 8.150 nan 0.000 0.443 397 N N -0.234 118.628 118.700 0.271 0.000 2.416 397 N HA 0.056 4.886 4.740 0.150 0.000 0.177 397 N C 1.504 177.064 175.510 0.083 0.000 1.036 397 N CA 0.779 53.925 53.050 0.160 0.000 0.901 397 N CB -0.251 38.134 38.487 -0.170 0.000 0.976 397 N HN 0.553 nan 8.380 nan 0.000 0.444 398 I N 0.049 120.748 120.570 0.215 0.000 2.394 398 I HA -0.234 4.026 4.170 0.150 0.000 0.251 398 I C 1.981 178.195 176.117 0.162 0.000 1.136 398 I CA 0.437 61.867 61.300 0.216 0.000 1.425 398 I CB -0.143 37.974 38.000 0.196 0.000 1.079 398 I HN 0.115 nan 8.210 nan 0.000 0.425 399 C N 0.917 120.346 119.300 0.214 0.000 2.413 399 C HA -0.200 4.350 4.460 0.150 0.000 0.278 399 C C 3.200 178.248 174.990 0.096 0.000 1.224 399 C CA 1.108 60.275 59.018 0.249 0.000 1.732 399 C CB -1.283 26.726 27.740 0.449 0.000 2.050 399 C HN 0.604 nan 8.230 nan 0.000 0.463 400 A N 0.213 123.087 122.820 0.088 0.000 2.032 400 A HA -0.036 4.374 4.320 0.150 0.000 0.221 400 A C 2.224 179.638 177.584 -0.283 0.000 1.165 400 A CA 2.328 54.135 52.037 -0.385 0.000 0.645 400 A CB -0.661 18.169 19.000 -0.282 0.000 0.807 400 A HN 0.679 nan 8.150 nan 0.000 0.453 401 A N -1.031 121.734 122.820 -0.092 0.000 1.943 401 A HA 0.057 4.467 4.320 0.150 0.000 0.213 401 A C 2.199 179.847 177.584 0.106 0.000 1.181 401 A CA 0.902 52.946 52.037 0.012 0.000 0.653 401 A CB -0.254 18.843 19.000 0.161 0.000 0.833 401 A HN 0.478 nan 8.150 nan 0.000 0.451 402 R N -0.675 119.858 120.500 0.055 0.000 2.153 402 R HA 0.020 4.450 4.340 0.150 0.000 0.218 402 R C 1.790 178.080 176.300 -0.018 0.000 1.072 402 R CA 1.159 57.289 56.100 0.050 0.000 0.990 402 R CB -0.123 30.212 30.300 0.058 0.000 0.889 402 R HN 0.401 nan 8.270 nan 0.000 0.452 403 V N 0.957 120.798 119.914 -0.121 0.000 2.374 403 V HA -0.102 4.107 4.120 0.150 0.000 0.241 403 V C 1.979 177.947 176.094 -0.211 0.000 1.034 403 V CA 1.122 63.292 62.300 -0.216 0.000 1.037 403 V CB -0.177 31.380 31.823 -0.443 0.000 0.682 403 V HN 0.231 nan 8.190 nan 0.000 0.463 404 L N 1.069 122.148 121.223 -0.240 0.000 2.642 404 L HA -0.100 4.330 4.340 0.150 0.000 0.236 404 L C 2.442 179.296 176.870 -0.026 0.000 1.169 404 L CA 1.144 55.879 54.840 -0.174 0.000 0.851 404 L CB -0.579 41.361 42.059 -0.199 0.000 0.968 404 L HN 0.484 nan 8.230 nan 0.000 0.453 405 R N -1.839 118.677 120.500 0.028 0.000 2.225 405 R HA 0.060 4.490 4.340 0.150 0.000 0.194 405 R C 0.800 177.090 176.300 -0.017 0.000 0.957 405 R CA 0.311 56.444 56.100 0.055 0.000 1.042 405 R CB -0.042 30.320 30.300 0.103 0.000 1.004 405 R HN 0.146 nan 8.270 nan 0.000 0.509 406 D N 0.506 120.881 120.400 -0.042 0.000 2.360 406 D HA 0.076 4.806 4.640 0.150 0.000 0.210 406 D C 1.331 177.585 176.300 -0.077 0.000 1.047 406 D CA 0.953 54.924 54.000 -0.048 0.000 0.854 406 D CB 1.202 41.980 40.800 -0.037 0.000 0.936 406 D HN 0.450 nan 8.370 nan 0.000 0.514 407 K N 0.354 120.685 120.400 -0.115 0.000 2.550 407 K HA 0.270 4.680 4.320 0.150 0.000 0.225 407 K C 1.815 178.290 176.600 -0.208 0.000 1.361 407 K CA -0.162 56.038 56.287 -0.145 0.000 0.801 407 K CB -0.640 31.766 32.500 -0.156 0.000 1.698 407 K HN -0.061 nan 8.250 nan 0.000 0.411 408 L N 0.637 121.685 121.223 -0.290 0.000 2.313 408 L HA 0.143 4.572 4.340 0.150 0.000 0.214 408 L C 2.027 178.564 176.870 -0.555 0.000 1.119 408 L CA 0.997 55.517 54.840 -0.533 0.000 0.809 408 L CB -0.344 41.313 42.059 -0.669 0.000 0.933 408 L HN 0.790 nan 8.230 nan 0.000 0.449 409 G N 1.333 109.982 108.800 -0.251 0.000 2.200 409 G HA2 -0.347 3.703 3.960 0.150 0.000 0.267 409 G HA3 -0.347 3.703 3.960 0.150 0.000 0.267 409 G C 0.136 175.063 174.900 0.046 0.000 0.993 409 G CA 1.118 46.164 45.100 -0.089 0.000 0.701 409 G HN 0.454 nan 8.290 nan 0.000 0.524 410 F N -2.777 117.226 119.950 0.088 0.000 2.824 410 F HA 0.891 5.507 4.527 0.148 0.000 0.330 410 F C 0.335 176.233 175.800 0.163 0.000 1.175 410 F CA -1.792 56.293 58.000 0.141 0.000 0.974 410 F CB 1.053 40.096 39.000 0.073 0.000 1.430 410 F HN 1.336 nan 8.300 nan 0.000 0.507 411 G N 0.094 109.264 108.800 0.616 0.000 2.326 411 G HA2 0.240 4.290 3.960 0.150 0.000 0.413 411 G HA3 0.240 4.290 3.960 0.150 0.000 0.413 411 G C -1.785 173.206 174.900 0.152 0.000 1.444 411 G CA -0.837 44.423 45.100 0.267 0.000 1.002 411 G HN 0.927 nan 8.290 nan 0.000 0.649 412 I N 1.643 122.219 120.570 0.011 0.000 2.483 412 I HA 0.197 4.457 4.170 0.150 0.000 0.291 412 I C -0.128 175.975 176.117 -0.023 0.000 1.112 412 I CA 0.181 61.504 61.300 0.039 0.000 1.350 412 I CB -0.275 37.734 38.000 0.015 0.000 1.419 412 I HN 0.345 nan 8.210 nan 0.000 0.523 413 Y N 4.935 125.289 120.300 0.090 0.000 2.457 413 Y HA 0.344 4.985 4.550 0.151 0.000 0.333 413 Y C 0.546 176.540 175.900 0.156 0.000 1.119 413 Y CA -0.755 57.412 58.100 0.112 0.000 1.143 413 Y CB 1.259 39.786 38.460 0.112 0.000 1.230 413 Y HN 0.447 nan 8.280 nan 0.000 0.469 414 N N 2.085 121.023 118.700 0.396 0.000 2.437 414 N HA 0.420 5.250 4.740 0.150 0.000 0.259 414 N C -1.365 174.398 175.510 0.422 0.000 0.983 414 N CA -0.223 53.074 53.050 0.412 0.000 0.937 414 N CB 1.694 40.483 38.487 0.504 0.000 1.122 414 N HN 0.435 nan 8.380 nan 0.000 0.499 415 V N -0.256 119.789 119.914 0.218 0.000 2.735 415 V HA 0.609 4.819 4.120 0.150 0.000 0.310 415 V C -0.562 175.456 176.094 -0.127 0.000 1.061 415 V CA -0.672 61.668 62.300 0.067 0.000 0.913 415 V CB 2.624 34.491 31.823 0.072 0.000 1.005 415 V HN 0.687 nan 8.190 nan 0.000 0.428 419 F N 2.136 122.051 119.950 -0.058 0.000 2.472 419 F HA 0.256 4.873 4.527 0.150 0.000 0.364 419 F C 0.986 176.736 175.800 -0.083 0.000 1.090 419 F CA -0.405 57.611 58.000 0.027 0.000 1.188 419 F CB 0.938 40.020 39.000 0.137 0.000 1.105 419 F HN 0.209 nan 8.300 nan 0.000 0.536 420 D N 6.113 126.591 120.400 0.131 0.000 2.586 420 D HA -0.058 4.672 4.640 0.150 0.000 0.234 420 D C -1.536 174.800 176.300 0.061 0.000 1.132 420 D CA -0.949 53.079 54.000 0.047 0.000 0.860 420 D CB 1.339 42.175 40.800 0.061 0.000 1.159 420 D HN 0.249 nan 8.370 nan 0.000 0.490 421 P HA -0.169 nan 4.420 nan 0.000 0.216 421 P C 0.929 178.243 177.300 0.022 0.000 1.150 421 P CA 1.735 64.847 63.100 0.020 0.000 0.843 421 P CB 0.157 31.859 31.700 0.004 0.000 0.787 422 A N -0.127 122.710 122.820 0.028 0.000 1.902 422 A HA -0.190 4.219 4.320 0.150 0.000 0.217 422 A C 1.906 179.519 177.584 0.049 0.000 1.181 422 A CA 1.673 53.731 52.037 0.035 0.000 0.623 422 A CB -1.349 17.674 19.000 0.037 0.000 0.818 422 A HN 0.153 nan 8.150 nan 0.000 0.443 423 N N 0.349 119.097 118.700 0.079 0.000 2.515 423 N HA 0.140 4.970 4.740 0.150 0.000 0.191 423 N C 1.457 176.934 175.510 -0.055 0.000 1.182 423 N CA 0.794 53.906 53.050 0.103 0.000 0.879 423 N CB -0.195 38.462 38.487 0.283 0.000 0.984 423 N HN 0.509 nan 8.380 nan 0.000 0.453 424 A N 1.448 124.240 122.820 -0.047 0.000 1.851 424 A HA -0.174 4.236 4.320 0.150 0.000 0.216 424 A C 1.836 179.319 177.584 -0.169 0.000 1.195 424 A CA 1.470 53.446 52.037 -0.101 0.000 0.622 424 A CB -0.359 18.621 19.000 -0.033 0.000 0.831 424 A HN 0.121 nan 8.150 nan 0.000 0.444 425 D N 0.031 120.365 120.400 -0.109 0.000 2.104 425 D HA -0.094 4.636 4.640 0.150 0.000 0.194 425 D C 2.281 178.484 176.300 -0.161 0.000 0.994 425 D CA 1.642 55.578 54.000 -0.105 0.000 0.830 425 D CB -0.635 40.134 40.800 -0.052 0.000 0.959 425 D HN 0.415 nan 8.370 nan 0.000 0.452 426 A N 0.959 123.683 122.820 -0.160 0.000 1.917 426 A HA -0.207 4.203 4.320 0.150 0.000 0.219 426 A C 2.231 179.505 177.584 -0.517 0.000 1.182 426 A CA 1.331 53.256 52.037 -0.187 0.000 0.633 426 A CB -0.869 18.141 19.000 0.017 0.000 0.819 426 A HN 0.239 nan 8.150 nan 0.000 0.448 427 L N -0.344 120.366 121.223 -0.854 0.000 1.955 427 L HA -0.139 4.291 4.340 0.150 0.000 0.213 427 L C 2.834 179.391 176.870 -0.521 0.000 1.072 427 L CA 2.454 56.665 54.840 -1.048 0.000 0.755 427 L CB -0.795 40.650 42.059 -1.024 0.000 0.888 427 L HN 0.370 nan 8.230 nan 0.000 0.432 428 A N -0.660 121.951 122.820 -0.349 0.000 1.958 428 A HA -0.245 4.165 4.320 0.150 0.000 0.221 428 A C 2.380 179.895 177.584 -0.115 0.000 1.178 428 A CA 2.335 54.264 52.037 -0.181 0.000 0.642 428 A CB -1.302 17.631 19.000 -0.112 0.000 0.816 428 A HN 0.656 nan 8.150 nan 0.000 0.453 429 A N -0.558 122.186 122.820 -0.127 0.000 1.828 429 A HA -0.025 4.385 4.320 0.150 0.000 0.215 429 A C 2.080 179.641 177.584 -0.040 0.000 1.203 429 A CA 1.720 53.716 52.037 -0.067 0.000 0.614 429 A CB -0.963 18.003 19.000 -0.057 0.000 0.844 429 A HN 0.718 nan 8.150 nan 0.000 0.445 430 L N -0.150 121.050 121.223 -0.037 0.000 2.064 430 L HA -0.219 4.211 4.340 0.150 0.000 0.216 430 L C 2.391 179.341 176.870 0.133 0.000 1.077 430 L CA 1.868 56.746 54.840 0.063 0.000 0.766 430 L CB -0.551 41.569 42.059 0.101 0.000 0.890 430 L HN 0.458 nan 8.230 nan 0.000 0.435 431 L N -1.037 120.196 121.223 0.017 0.000 2.093 431 L HA -0.208 4.222 4.340 0.150 0.000 0.208 431 L C 2.893 179.806 176.870 0.071 0.000 1.085 431 L CA 1.547 56.411 54.840 0.039 0.000 0.755 431 L CB -0.864 41.159 42.059 -0.060 0.000 0.904 431 L HN 0.335 nan 8.230 nan 0.000 0.435 432 K N 0.269 120.686 120.400 0.028 0.000 2.057 432 K HA -0.188 4.222 4.320 0.150 0.000 0.207 432 K C 2.048 178.649 176.600 0.002 0.000 1.049 432 K CA 1.898 58.195 56.287 0.018 0.000 0.931 432 K CB -1.849 30.647 32.500 -0.006 0.000 0.714 432 K HN 0.569 nan 8.250 nan 0.000 0.440 433 T N -2.018 112.521 114.554 -0.024 0.000 2.897 433 T HA -0.188 4.252 4.350 0.150 0.000 0.271 433 T C 1.427 176.002 174.700 -0.208 0.000 1.084 433 T CA 1.399 63.429 62.100 -0.118 0.000 1.123 433 T CB -0.464 68.303 68.868 -0.169 0.000 0.865 433 T HN 0.668 nan 8.240 nan 0.000 0.496 434 H N 0.227 119.312 119.070 0.024 0.000 2.594 434 H HA 0.388 5.034 4.556 0.150 0.000 0.279 434 H C 1.821 177.173 175.328 0.041 0.000 1.042 434 H CA 0.316 56.393 56.048 0.049 0.000 1.177 434 H CB 0.609 30.403 29.762 0.053 0.000 1.524 434 H HN 0.616 nan 8.280 nan 0.000 0.537 435 G N 1.031 109.894 108.800 0.104 0.000 2.163 435 G HA2 -0.204 3.846 3.960 0.150 0.000 0.213 435 G HA3 -0.204 3.846 3.960 0.150 0.000 0.213 435 G C -0.037 174.902 174.900 0.065 0.000 0.991 435 G CA -0.302 44.839 45.100 0.068 0.000 0.653 435 G HN 0.229 nan 8.290 nan 0.000 0.518 436 L N 1.240 122.508 121.223 0.074 0.000 2.325 436 L HA 0.451 4.881 4.340 0.150 0.000 0.281 436 L C 0.304 177.233 176.870 0.099 0.000 1.004 436 L CA -1.276 53.606 54.840 0.069 0.000 0.823 436 L CB 1.472 43.556 42.059 0.040 0.000 1.236 436 L HN 0.216 nan 8.230 nan 0.000 0.415 437 H N 3.305 122.366 119.070 -0.016 0.000 2.899 437 H HA 0.304 4.950 4.556 0.150 0.000 0.303 437 H C -1.078 174.229 175.328 -0.035 0.000 1.042 437 H CA 0.222 56.256 56.048 -0.024 0.000 1.479 437 H CB 1.080 30.832 29.762 -0.018 0.000 1.493 437 H HN 0.234 nan 8.280 nan 0.000 0.534 438 V N 4.410 124.347 119.914 0.038 0.000 2.569 438 V HA 0.329 4.539 4.120 0.150 0.000 0.301 438 V C -0.511 175.496 176.094 -0.145 0.000 1.044 438 V CA -0.093 62.116 62.300 -0.151 0.000 0.874 438 V CB 1.215 32.968 31.823 -0.118 0.000 1.002 438 V HN 1.038 nan 8.190 nan 0.000 0.424 439 D N 4.449 124.703 120.400 -0.243 0.000 2.417 439 D HA 0.503 5.233 4.640 0.150 0.000 0.250 439 D C 1.218 177.483 176.300 -0.059 0.000 1.166 439 D CA 0.326 54.256 54.000 -0.116 0.000 0.881 439 D CB 1.724 42.452 40.800 -0.121 0.000 1.164 439 D HN 1.264 nan 8.370 nan 0.000 0.467 440 A N 1.216 124.016 122.820 -0.033 0.000 2.024 440 A HA -0.105 4.305 4.320 0.150 0.000 0.220 440 A C 1.932 179.509 177.584 -0.013 0.000 1.164 440 A CA 2.033 54.046 52.037 -0.040 0.000 0.643 440 A CB -0.166 18.813 19.000 -0.035 0.000 0.806 440 A HN 0.805 nan 8.150 nan 0.000 0.451 441 E N -0.547 119.655 120.200 0.003 0.000 2.086 441 E HA -0.100 4.340 4.350 0.150 0.000 0.190 441 E C 1.821 178.451 176.600 0.049 0.000 0.975 441 E CA 0.632 57.047 56.400 0.025 0.000 0.813 441 E CB -0.023 29.689 29.700 0.021 0.000 0.768 441 E HN 0.727 nan 8.360 nan 0.000 0.457 442 E N 0.339 120.560 120.200 0.035 0.000 2.265 442 E HA -0.154 4.286 4.350 0.150 0.000 0.196 442 E C 2.214 178.887 176.600 0.120 0.000 0.996 442 E CA 1.203 57.637 56.400 0.056 0.000 0.832 442 E CB 0.026 29.732 29.700 0.010 0.000 0.756 442 E HN 0.276 nan 8.360 nan 0.000 0.491 443 V N -0.542 119.446 119.914 0.125 0.000 2.490 443 V HA -0.209 4.001 4.120 0.150 0.000 0.250 443 V C 1.994 178.342 176.094 0.423 0.000 1.061 443 V CA 1.395 63.852 62.300 0.261 0.000 1.064 443 V CB -0.778 31.147 31.823 0.171 0.000 0.670 443 V HN 0.180 nan 8.190 nan 0.000 0.461 444 L N 1.752 123.144 121.223 0.282 0.000 2.610 444 L HA 0.147 4.576 4.340 0.150 0.000 0.232 444 L C 1.216 178.286 176.870 0.334 0.000 1.149 444 L CA 0.626 55.618 54.840 0.255 0.000 0.872 444 L CB -1.069 41.066 42.059 0.125 0.000 0.992 444 L HN 0.587 nan 8.230 nan 0.000 0.447 445 T N -3.816 110.949 114.554 0.351 0.000 2.934 445 T HA 0.263 4.703 4.350 0.150 0.000 0.283 445 T C 0.869 175.726 174.700 0.262 0.000 1.005 445 T CA -0.745 61.538 62.100 0.305 0.000 1.041 445 T CB 2.240 71.199 68.868 0.152 0.000 1.042 445 T HN -0.137 nan 8.240 nan 0.000 0.505 446 L N 0.928 122.080 121.223 -0.119 0.000 2.046 446 L HA 0.012 4.442 4.340 0.150 0.000 0.208 446 L C 2.094 178.854 176.870 -0.184 0.000 1.077 446 L CA 2.055 56.525 54.840 -0.617 0.000 0.747 446 L CB -1.195 40.506 42.059 -0.597 0.000 0.896 446 L HN 0.953 nan 8.230 nan 0.000 0.432 447 D N -1.196 119.167 120.400 -0.062 0.000 2.183 447 D HA -0.081 4.649 4.640 0.150 0.000 0.203 447 D C 2.094 178.416 176.300 0.038 0.000 0.969 447 D CA 1.170 55.160 54.000 -0.017 0.000 0.842 447 D CB -0.182 40.608 40.800 -0.016 0.000 0.957 447 D HN 0.382 nan 8.370 nan 0.000 0.484 448 G N -0.427 108.430 108.800 0.095 0.000 2.434 448 G HA2 -0.261 3.789 3.960 0.150 0.000 0.214 448 G HA3 -0.261 3.789 3.960 0.150 0.000 0.214 448 G C 1.529 176.529 174.900 0.168 0.000 1.202 448 G CA 0.498 45.667 45.100 0.115 0.000 0.788 448 G HN 0.339 nan 8.290 nan 0.000 0.539 449 F N 1.156 121.184 119.950 0.131 0.000 2.135 449 F HA -0.273 4.344 4.527 0.150 0.000 0.300 449 F C 2.650 178.494 175.800 0.074 0.000 1.074 449 F CA 1.751 59.857 58.000 0.176 0.000 1.262 449 F CB -0.244 38.897 39.000 0.235 0.000 1.013 449 F HN 0.210 nan 8.300 nan 0.000 0.489 450 C N -0.517 118.878 119.300 0.158 0.000 2.467 450 C HA -0.067 4.483 4.460 0.150 0.000 0.279 450 C C 2.636 177.608 174.990 -0.030 0.000 1.347 450 C CA 0.929 59.975 59.018 0.046 0.000 1.748 450 C CB -0.952 26.793 27.740 0.009 0.000 1.977 450 C HN 0.481 nan 8.230 nan 0.000 0.501 451 K N 0.738 121.123 120.400 -0.025 0.000 2.057 451 K HA -0.174 4.236 4.320 0.150 0.000 0.207 451 K C 1.913 178.478 176.600 -0.058 0.000 1.049 451 K CA 1.308 57.566 56.287 -0.047 0.000 0.931 451 K CB -0.250 32.227 32.500 -0.038 0.000 0.714 451 K HN 0.374 nan 8.250 nan 0.000 0.440 452 L N 1.009 122.194 121.223 -0.064 0.000 2.007 452 L HA -0.032 4.398 4.340 0.150 0.000 0.205 452 L C 2.327 179.138 176.870 -0.100 0.000 1.073 452 L CA 1.680 56.473 54.840 -0.079 0.000 0.744 452 L CB -0.734 41.279 42.059 -0.076 0.000 0.898 452 L HN 0.059 nan 8.230 nan 0.000 0.435 453 R N -0.032 120.374 120.500 -0.156 0.000 2.105 453 R HA -0.149 4.280 4.340 0.150 0.000 0.239 453 R C 2.375 178.630 176.300 -0.075 0.000 1.135 453 R CA 1.693 57.710 56.100 -0.139 0.000 0.967 453 R CB -0.466 29.729 30.300 -0.175 0.000 0.861 453 R HN 0.370 nan 8.270 nan 0.000 0.442 454 R N -0.109 120.348 120.500 -0.072 0.000 2.091 454 R HA -0.160 4.270 4.340 0.150 0.000 0.238 454 R C 2.249 178.519 176.300 -0.050 0.000 1.136 454 R CA 2.022 58.081 56.100 -0.067 0.000 0.959 454 R CB -0.253 29.993 30.300 -0.090 0.000 0.856 454 R HN 0.420 nan 8.270 nan 0.000 0.437 455 E N 0.492 120.663 120.200 -0.048 0.000 2.015 455 E HA -0.127 4.313 4.350 0.150 0.000 0.191 455 E C 1.936 178.520 176.600 -0.026 0.000 0.991 455 E CA 0.851 57.231 56.400 -0.032 0.000 0.802 455 E CB -0.019 29.662 29.700 -0.032 0.000 0.759 455 E HN 0.197 nan 8.360 nan 0.000 0.447 456 L N 0.987 122.189 121.223 -0.034 0.000 2.137 456 L HA -0.267 4.163 4.340 0.150 0.000 0.213 456 L C 1.656 178.515 176.870 -0.019 0.000 1.085 456 L CA 1.316 56.140 54.840 -0.027 0.000 0.760 456 L CB -0.347 41.691 42.059 -0.035 0.000 0.893 456 L HN 0.202 nan 8.230 nan 0.000 0.434 457 D N -0.475 119.910 120.400 -0.025 0.000 2.289 457 D HA -0.008 4.722 4.640 0.150 0.000 0.207 457 D C 1.983 178.274 176.300 -0.015 0.000 0.966 457 D CA 0.970 54.955 54.000 -0.024 0.000 0.868 457 D CB 0.085 40.865 40.800 -0.032 0.000 0.943 457 D HN 0.250 nan 8.370 nan 0.000 0.514 458 A N 0.343 123.156 122.820 -0.011 0.000 2.238 458 A HA -0.012 4.398 4.320 0.150 0.000 0.208 458 A C 0.890 178.476 177.584 0.003 0.000 1.177 458 A CA 0.164 52.198 52.037 -0.004 0.000 0.804 458 A CB -0.097 18.901 19.000 -0.004 0.000 0.823 458 A HN -0.009 nan 8.150 nan 0.000 0.482 459 Q N -0.138 119.665 119.800 0.006 0.000 2.352 459 Q HA 0.192 4.622 4.340 0.150 0.000 0.260 459 Q C -1.627 174.384 176.000 0.019 0.000 0.976 459 Q CA -1.736 54.078 55.803 0.019 0.000 0.881 459 Q CB 0.251 29.007 28.738 0.029 0.000 1.235 459 Q HN 0.160 nan 8.270 nan 0.000 0.419 460 P HA -0.091 nan 4.420 nan 0.000 0.220 460 P C 0.225 177.541 177.300 0.026 0.000 1.148 460 P CA 1.208 64.320 63.100 0.019 0.000 0.803 460 P CB 0.328 32.039 31.700 0.018 0.000 0.782 461 T N -5.759 108.822 114.554 0.045 0.000 2.887 461 T HA 0.584 5.024 4.350 0.150 0.000 0.292 461 T C 0.901 175.647 174.700 0.077 0.000 1.087 461 T CA -0.469 61.667 62.100 0.061 0.000 1.009 461 T CB 1.555 70.470 68.868 0.078 0.000 1.203 461 T HN -0.094 nan 8.240 nan 0.000 0.518 462 G N -0.030 108.819 108.800 0.082 0.000 3.262 462 G HA2 0.169 4.219 3.960 0.150 0.000 0.228 462 G HA3 0.169 4.219 3.960 0.150 0.000 0.228 462 G C 0.648 175.613 174.900 0.108 0.000 1.197 462 G CA -0.356 44.788 45.100 0.074 0.000 0.819 462 G HN 0.630 nan 8.290 nan 0.000 0.531 463 F N 1.329 121.271 119.950 -0.012 0.000 2.069 463 F HA -0.070 4.546 4.527 0.150 0.000 0.298 463 F C 2.329 178.088 175.800 -0.068 0.000 1.113 463 F CA 1.310 59.294 58.000 -0.027 0.000 1.214 463 F CB -0.203 38.783 39.000 -0.023 0.000 0.978 463 F HN 0.117 nan 8.300 nan 0.000 0.474 464 L N -0.007 121.095 121.223 -0.201 0.000 2.046 464 L HA -0.231 4.199 4.340 0.150 0.000 0.208 464 L C 2.231 178.957 176.870 -0.240 0.000 1.077 464 L CA 1.857 56.495 54.840 -0.337 0.000 0.747 464 L CB -1.022 40.954 42.059 -0.138 0.000 0.896 464 L HN 0.191 nan 8.230 nan 0.000 0.432 465 D N 0.096 120.428 120.400 -0.113 0.000 2.103 465 D HA -0.260 4.470 4.640 0.150 0.000 0.190 465 D C 2.282 178.543 176.300 -0.064 0.000 0.997 465 D CA 1.959 55.928 54.000 -0.051 0.000 0.833 465 D CB -0.018 40.779 40.800 -0.005 0.000 0.961 465 D HN 0.309 nan 8.370 nan 0.000 0.447 466 S N -0.532 115.112 115.700 -0.093 0.000 2.392 466 S HA -0.268 4.291 4.470 0.150 0.000 0.232 466 S C 2.038 176.546 174.600 -0.154 0.000 1.041 466 S CA 0.941 59.086 58.200 -0.093 0.000 1.026 466 S CB -0.510 62.653 63.200 -0.062 0.000 0.845 466 S HN 0.189 nan 8.310 nan 0.000 0.465 467 R N 1.900 122.216 120.500 -0.307 0.000 2.115 467 R HA 0.168 4.598 4.340 0.150 0.000 0.230 467 R C 2.364 178.634 176.300 -0.051 0.000 1.111 467 R CA 1.305 57.242 56.100 -0.273 0.000 0.976 467 R CB -1.335 28.683 30.300 -0.470 0.000 0.870 467 R HN 0.877 nan 8.270 nan 0.000 0.445 468 I N -1.903 118.681 120.570 0.022 0.000 3.564 468 I HA 0.110 4.369 4.170 0.150 0.000 0.294 468 I C 1.572 177.807 176.117 0.196 0.000 1.289 468 I CA 0.302 61.751 61.300 0.250 0.000 1.325 468 I CB -0.072 38.056 38.000 0.214 0.000 1.039 468 I HN -0.164 nan 8.210 nan 0.000 0.474 469 R N 2.121 122.657 120.500 0.060 0.000 2.185 469 R HA -0.174 4.256 4.340 0.150 0.000 0.247 469 R C 2.215 178.509 176.300 -0.009 0.000 1.159 469 R CA 2.079 58.209 56.100 0.049 0.000 0.988 469 R CB -0.389 29.931 30.300 0.034 0.000 0.871 469 R HN 0.640 nan 8.270 nan 0.000 0.458 470 R N -1.020 119.378 120.500 -0.171 0.000 2.297 470 R HA 0.025 4.454 4.340 0.150 0.000 0.197 470 R C 0.585 176.657 176.300 -0.380 0.000 0.943 470 R CA 0.647 56.560 56.100 -0.312 0.000 1.038 470 R CB 0.125 30.142 30.300 -0.472 0.000 0.957 470 R HN 0.157 nan 8.270 nan 0.000 0.484 471 F N 2.286 122.276 119.950 0.067 0.000 2.639 471 F HA 0.239 4.856 4.527 0.150 0.000 0.300 471 F C 0.131 176.103 175.800 0.287 0.000 1.109 471 F CA -0.762 57.306 58.000 0.113 0.000 1.335 471 F CB 0.393 39.397 39.000 0.006 0.000 1.014 471 F HN 0.008 nan 8.300 nan 0.000 0.537 472 Q N -0.073 119.874 119.800 0.245 0.000 2.312 472 Q HA 0.566 4.995 4.340 0.150 0.000 0.263 472 Q C -0.347 175.442 176.000 -0.352 0.000 0.995 472 Q CA -0.809 55.033 55.803 0.065 0.000 0.853 472 Q CB 1.915 30.709 28.738 0.093 0.000 1.300 472 Q HN -0.017 nan 8.270 nan 0.000 0.448 473 S N 1.371 116.827 115.700 -0.406 0.000 2.624 473 S HA 0.453 5.013 4.470 0.150 0.000 0.263 473 S C -0.538 173.629 174.600 -0.722 0.000 1.287 473 S CA -0.465 57.372 58.200 -0.606 0.000 0.990 473 S CB 0.189 63.056 63.200 -0.555 0.000 0.950 473 S HN 0.428 nan 8.310 nan 0.000 0.561 474 F N 0.564 120.472 119.950 -0.070 0.000 2.467 474 F HA 0.571 5.188 4.527 0.150 0.000 0.336 474 F C 0.662 176.466 175.800 0.006 0.000 1.123 474 F CA -1.063 56.957 58.000 0.033 0.000 0.964 474 F CB 0.785 39.807 39.000 0.036 0.000 1.136 474 F HN 0.650 nan 8.300 nan 0.000 0.447 475 A N 3.301 126.312 122.820 0.318 0.000 2.587 475 A HA 0.325 4.735 4.320 0.150 0.000 0.233 475 A C 0.151 177.829 177.584 0.156 0.000 1.049 475 A CA 0.028 52.190 52.037 0.209 0.000 0.754 475 A CB -0.056 19.113 19.000 0.281 0.000 0.977 475 A HN 0.873 nan 8.150 nan 0.000 0.509 476 E N 1.125 121.385 120.200 0.099 0.000 2.445 476 E HA 0.717 5.157 4.350 0.150 0.000 0.273 476 E C -1.300 175.382 176.600 0.136 0.000 0.961 476 E CA -0.961 55.505 56.400 0.111 0.000 0.807 476 E CB 1.216 30.962 29.700 0.076 0.000 1.362 476 E HN 0.467 nan 8.360 nan 0.000 0.453 477 I N 1.777 122.432 120.570 0.141 0.000 2.354 477 I HA 0.327 4.587 4.170 0.150 0.000 0.292 477 I C -0.276 175.920 176.117 0.133 0.000 0.989 477 I CA -0.563 60.835 61.300 0.164 0.000 1.188 477 I CB 1.519 39.627 38.000 0.181 0.000 1.342 477 I HN 0.606 nan 8.210 nan 0.000 0.457 478 S N 1.908 117.699 115.700 0.152 0.000 2.595 478 S HA 0.355 4.915 4.470 0.150 0.000 0.281 478 S C 0.560 175.261 174.600 0.168 0.000 1.117 478 S CA -0.162 58.111 58.200 0.121 0.000 0.873 478 S CB 1.845 65.093 63.200 0.079 0.000 1.108 478 S HN 0.737 nan 8.310 nan 0.000 0.477 479 T N -2.435 112.191 114.554 0.121 0.000 3.023 479 T HA 0.234 4.674 4.350 0.150 0.000 0.266 479 T C 0.707 175.521 174.700 0.190 0.000 1.093 479 T CA 1.021 63.209 62.100 0.146 0.000 1.129 479 T CB -0.861 68.024 68.868 0.028 0.000 0.899 479 T HN 1.150 nan 8.240 nan 0.000 0.491 480 E N 3.294 123.549 120.200 0.092 0.000 2.313 480 E HA 0.459 4.899 4.350 0.150 0.000 0.276 480 E C -2.613 173.882 176.600 -0.176 0.000 1.031 480 E CA -2.823 53.581 56.400 0.008 0.000 0.857 480 E CB -0.380 29.317 29.700 -0.006 0.000 1.040 480 E HN 0.476 nan 8.360 nan 0.000 0.408 481 P HA 0.417 nan 4.420 nan 0.000 0.268 481 P C 0.101 177.165 177.300 -0.394 0.000 1.204 481 P CA 0.400 63.008 63.100 -0.822 0.000 0.768 481 P CB 1.066 32.460 31.700 -0.509 0.000 0.842 482 G N 3.081 111.677 108.800 -0.341 0.000 2.655 482 G HA2 0.428 4.478 3.960 0.150 0.000 0.296 482 G HA3 0.428 4.478 3.960 0.150 0.000 0.296 482 G C -3.329 171.590 174.900 0.032 0.000 1.485 482 G CA -0.987 44.059 45.100 -0.090 0.000 0.869 482 G HN 0.250 nan 8.290 nan 0.000 0.540 483 P HA 0.055 nan 4.420 nan 0.000 0.270 483 P C -0.847 176.597 177.300 0.240 0.000 1.221 483 P CA -0.002 63.202 63.100 0.174 0.000 0.788 483 P CB 0.606 32.402 31.700 0.160 0.000 0.904 484 H N 1.518 120.686 119.070 0.163 0.000 2.623 484 H HA 0.197 4.843 4.556 0.150 0.000 0.299 484 H C 0.568 175.924 175.328 0.047 0.000 1.052 484 H CA -0.470 55.669 56.048 0.151 0.000 1.231 484 H CB 0.129 29.934 29.762 0.073 0.000 1.389 484 H HN 0.205 nan 8.280 nan 0.000 0.469 485 F N 2.910 122.819 119.950 -0.069 0.000 2.134 485 F HA -0.074 4.543 4.527 0.149 0.000 0.299 485 F C 2.607 178.222 175.800 -0.308 0.000 1.097 485 F CA 1.707 59.511 58.000 -0.326 0.000 1.264 485 F CB -0.444 38.162 39.000 -0.656 0.000 1.001 485 F HN 0.687 nan 8.300 nan 0.000 0.479 486 G N -0.451 108.191 108.800 -0.264 0.000 2.470 486 G HA2 -0.167 3.883 3.960 0.150 0.000 0.220 486 G HA3 -0.167 3.883 3.960 0.150 0.000 0.220 486 G C 1.502 176.393 174.900 -0.015 0.000 1.121 486 G CA 0.752 45.766 45.100 -0.143 0.000 0.766 486 G HN 0.374 nan 8.290 nan 0.000 0.553 487 L N -0.386 120.814 121.223 -0.039 0.000 2.616 487 L HA 0.312 4.742 4.340 0.150 0.000 0.229 487 L C 1.845 178.686 176.870 -0.048 0.000 1.110 487 L CA 0.318 55.036 54.840 -0.202 0.000 0.884 487 L CB 0.116 41.867 42.059 -0.515 0.000 1.115 487 L HN 0.279 nan 8.230 nan 0.000 0.481 488 G N 1.444 110.244 108.800 -0.001 0.000 2.198 488 G HA2 -0.261 3.788 3.960 0.150 0.000 0.257 488 G HA3 -0.261 3.788 3.960 0.150 0.000 0.257 488 G C -0.078 174.830 174.900 0.013 0.000 1.042 488 G CA -0.029 45.062 45.100 -0.015 0.000 0.791 488 G HN 0.218 nan 8.290 nan 0.000 0.502 489 L N -0.551 120.687 121.223 0.025 0.000 2.322 489 L HA 0.411 4.841 4.340 0.150 0.000 0.281 489 L C 1.466 178.399 176.870 0.105 0.000 1.014 489 L CA -0.834 54.069 54.840 0.104 0.000 0.815 489 L CB 1.457 43.577 42.059 0.102 0.000 1.247 489 L HN 0.199 nan 8.230 nan 0.000 0.421 490 E N 2.127 122.402 120.200 0.125 0.000 2.265 490 E HA 0.007 4.447 4.350 0.150 0.000 0.196 490 E C 0.129 176.814 176.600 0.141 0.000 0.996 490 E CA 0.674 57.136 56.400 0.104 0.000 0.832 490 E CB 0.310 30.075 29.700 0.109 0.000 0.756 490 E HN 0.642 nan 8.360 nan 0.000 0.491 491 A N -0.023 122.928 122.820 0.217 0.000 2.590 491 A HA 0.478 4.888 4.320 0.150 0.000 0.296 491 A C -2.144 175.711 177.584 0.452 0.000 1.050 491 A CA -0.631 51.585 52.037 0.299 0.000 0.697 491 A CB 0.936 20.093 19.000 0.260 0.000 1.277 491 A HN 0.109 nan 8.150 nan 0.000 0.411 492 Y N 0.465 120.973 120.300 0.347 0.000 2.323 492 Y HA 0.637 5.277 4.550 0.151 0.000 0.322 492 Y C -0.411 175.640 175.900 0.252 0.000 1.133 492 Y CA 0.009 58.272 58.100 0.272 0.000 1.093 492 Y CB 1.743 40.340 38.460 0.229 0.000 1.203 492 Y HN 1.546 nan 8.280 nan 0.000 0.427 493 A N 3.200 125.828 122.820 -0.320 0.000 2.393 493 A HA 0.745 5.155 4.320 0.150 0.000 0.306 493 A C -0.657 176.720 177.584 -0.345 0.000 1.050 493 A CA -0.412 51.404 52.037 -0.367 0.000 0.724 493 A CB 1.024 19.680 19.000 -0.574 0.000 1.248 493 A HN 0.759 nan 8.150 nan 0.000 0.424 494 T N -0.189 114.253 114.554 -0.187 0.000 2.829 494 T HA 0.572 5.012 4.350 0.150 0.000 0.282 494 T C 0.255 175.062 174.700 0.178 0.000 0.990 494 T CA -0.382 61.693 62.100 -0.042 0.000 1.028 494 T CB 0.839 69.691 68.868 -0.027 0.000 0.951 494 T HN 1.301 nan 8.240 nan 0.000 0.460 495 W N 1.161 122.463 121.300 0.002 0.000 2.324 495 W HA 0.252 5.000 4.660 0.146 0.000 0.316 495 W C 0.676 177.322 176.519 0.211 0.000 0.927 495 W CA -0.229 57.193 57.345 0.129 0.000 1.438 495 W CB -1.165 28.322 29.460 0.046 0.000 1.085 495 W HN 0.565 nan 8.180 nan 0.000 0.532 496 T N 2.128 116.467 114.554 -0.360 0.000 2.849 496 T HA -0.096 4.344 4.350 0.150 0.000 0.270 496 T C 0.760 175.361 174.700 -0.166 0.000 1.066 496 T CA 2.041 63.878 62.100 -0.438 0.000 1.130 496 T CB -0.092 68.567 68.868 -0.349 0.000 0.864 496 T HN 0.066 nan 8.240 nan 0.000 0.481 497 S N 1.092 116.765 115.700 -0.045 0.000 2.327 497 S HA 0.259 4.819 4.470 0.150 0.000 0.203 497 S C -2.210 172.382 174.600 -0.013 0.000 1.326 497 S CA -0.848 57.346 58.200 -0.010 0.000 1.248 497 S CB 1.291 64.516 63.200 0.042 0.000 1.199 497 S HN 0.314 nan 8.310 nan 0.000 0.422 498 P HA 0.180 nan 4.420 nan 0.000 0.241 498 P C 0.951 178.182 177.300 -0.115 0.000 1.191 498 P CA 0.269 63.271 63.100 -0.163 0.000 0.771 498 P CB -0.056 31.337 31.700 -0.511 0.000 0.929 499 I N 0.276 120.801 120.570 -0.075 0.000 2.716 499 I HA -0.072 4.188 4.170 0.150 0.000 0.259 499 I C 2.385 178.497 176.117 -0.009 0.000 1.172 499 I CA 0.916 62.186 61.300 -0.049 0.000 1.478 499 I CB -0.178 37.792 38.000 -0.049 0.000 1.104 499 I HN -0.016 nan 8.210 nan 0.000 0.439 500 R N 0.603 121.124 120.500 0.034 0.000 2.404 500 R HA 0.283 4.713 4.340 0.150 0.000 0.237 500 R C 0.076 176.446 176.300 0.117 0.000 0.907 500 R CA -0.149 56.004 56.100 0.090 0.000 1.063 500 R CB 0.175 30.590 30.300 0.192 0.000 1.134 500 R HN 0.057 nan 8.270 nan 0.000 0.529 501 K N 0.782 121.214 120.400 0.054 0.000 2.579 501 K HA 0.139 4.549 4.320 0.150 0.000 0.250 501 K C -1.132 175.412 176.600 -0.094 0.000 0.952 501 K CA -0.738 55.526 56.287 -0.040 0.000 0.857 501 K CB 1.478 34.029 32.500 0.084 0.000 1.123 501 K HN -0.129 nan 8.250 nan 0.000 0.433 502 Y N 2.254 122.364 120.300 -0.316 0.000 2.333 502 Y HA -0.137 4.501 4.550 0.146 0.000 0.290 502 Y C 1.737 177.537 175.900 -0.167 0.000 1.144 502 Y CA 2.126 60.093 58.100 -0.222 0.000 1.228 502 Y CB 0.107 38.420 38.460 -0.244 0.000 0.985 502 Y HN 0.827 nan 8.280 nan 0.000 0.542 503 G N -0.649 108.035 108.800 -0.193 0.000 2.511 503 G HA2 -0.120 3.930 3.960 0.150 0.000 0.217 503 G HA3 -0.120 3.930 3.960 0.150 0.000 0.217 503 G C 0.394 175.242 174.900 -0.087 0.000 1.133 503 G CA 0.420 45.433 45.100 -0.144 0.000 0.792 503 G HN 0.272 nan 8.290 nan 0.000 0.539 507 N N 0.624 119.316 118.700 -0.012 0.000 2.446 507 N HA 0.036 4.865 4.740 0.150 0.000 0.179 507 N C 1.600 177.129 175.510 0.031 0.000 1.054 507 N CA 0.455 53.505 53.050 0.000 0.000 0.905 507 N CB 0.195 38.685 38.487 0.006 0.000 0.973 507 N HN 0.410 nan 8.380 nan 0.000 0.448 508 H N 1.016 120.081 119.070 -0.008 0.000 2.343 508 H HA 0.088 4.734 4.556 0.151 0.000 0.303 508 H C 1.835 177.150 175.328 -0.022 0.000 1.068 508 H CA 1.001 57.065 56.048 0.027 0.000 1.359 508 H CB 0.387 30.194 29.762 0.074 0.000 1.402 508 H HN 0.151 nan 8.280 nan 0.000 0.515 509 R N 0.531 121.085 120.500 0.090 0.000 2.080 509 R HA -0.124 4.306 4.340 0.150 0.000 0.236 509 R C 2.618 178.915 176.300 -0.007 0.000 1.137 509 R CA 1.156 57.273 56.100 0.027 0.000 0.943 509 R CB -0.376 29.928 30.300 0.007 0.000 0.846 509 R HN 0.222 nan 8.270 nan 0.000 0.431 510 L N 0.636 121.851 121.223 -0.014 0.000 2.012 510 L HA -0.218 4.211 4.340 0.150 0.000 0.210 510 L C 2.433 179.232 176.870 -0.118 0.000 1.073 510 L CA 1.310 56.135 54.840 -0.025 0.000 0.748 510 L CB -0.477 41.594 42.059 0.020 0.000 0.891 510 L HN 0.219 nan 8.230 nan 0.000 0.431 511 L N -0.587 120.521 121.223 -0.191 0.000 2.201 511 L HA -0.180 4.250 4.340 0.150 0.000 0.212 511 L C 2.607 179.362 176.870 -0.191 0.000 1.105 511 L CA 1.071 55.728 54.840 -0.305 0.000 0.775 511 L CB -0.335 41.442 42.059 -0.469 0.000 0.913 511 L HN 0.209 nan 8.230 nan 0.000 0.440 512 K N -0.180 120.154 120.400 -0.110 0.000 2.103 512 K HA -0.058 4.352 4.320 0.150 0.000 0.204 512 K C 2.237 178.806 176.600 -0.051 0.000 1.052 512 K CA 1.103 57.354 56.287 -0.059 0.000 0.945 512 K CB -0.149 32.339 32.500 -0.020 0.000 0.722 512 K HN 0.257 nan 8.250 nan 0.000 0.443 513 A N 1.122 123.909 122.820 -0.055 0.000 1.978 513 A HA -0.137 4.273 4.320 0.150 0.000 0.220 513 A C 2.246 179.786 177.584 -0.073 0.000 1.170 513 A CA 1.344 53.350 52.037 -0.052 0.000 0.636 513 A CB -0.631 18.345 19.000 -0.040 0.000 0.810 513 A HN 0.154 nan 8.150 nan 0.000 0.448 514 V N -0.019 119.829 119.914 -0.109 0.000 2.548 514 V HA -0.189 4.020 4.120 0.150 0.000 0.249 514 V C 2.242 178.295 176.094 -0.069 0.000 1.055 514 V CA 1.886 64.114 62.300 -0.119 0.000 1.065 514 V CB -0.452 31.256 31.823 -0.191 0.000 0.681 514 V HN 0.594 nan 8.190 nan 0.000 0.462 515 I N 0.516 121.060 120.570 -0.045 0.000 2.127 515 I HA -0.182 4.078 4.170 0.150 0.000 0.241 515 I C 2.566 178.677 176.117 -0.009 0.000 1.075 515 I CA 2.275 63.576 61.300 0.001 0.000 1.334 515 I CB -0.763 37.252 38.000 0.024 0.000 1.040 515 I HN 0.387 nan 8.210 nan 0.000 0.405 516 K N 0.632 121.020 120.400 -0.020 0.000 2.315 516 K HA 0.623 5.033 4.320 0.150 0.000 0.215 516 K C 0.894 177.478 176.600 -0.026 0.000 1.047 516 K CA 0.914 57.190 56.287 -0.018 0.000 1.020 516 K CB -1.028 31.462 32.500 -0.016 0.000 1.211 516 K HN 0.491 nan 8.250 nan 0.000 0.462 523 P HA 0.303 nan 4.420 nan 0.000 0.271 523 P C -0.776 176.450 177.300 -0.123 0.000 1.216 523 P CA -0.325 62.671 63.100 -0.172 0.000 0.771 523 P CB 0.792 32.424 31.700 -0.114 0.000 0.864 524 Q N 1.323 121.083 119.800 -0.067 0.000 2.313 524 Q HA -0.011 4.419 4.340 0.150 0.000 0.266 524 Q C 1.136 177.126 176.000 -0.017 0.000 0.989 524 Q CA -0.207 55.572 55.803 -0.041 0.000 0.890 524 Q CB 0.622 29.347 28.738 -0.021 0.000 1.200 524 Q HN 0.441 nan 8.270 nan 0.000 0.396 525 D N 3.313 123.704 120.400 -0.014 0.000 2.242 525 D HA -0.342 4.388 4.640 0.150 0.000 0.190 525 D C 1.824 178.134 176.300 0.017 0.000 1.012 525 D CA 2.369 56.372 54.000 0.004 0.000 0.875 525 D CB 0.329 41.130 40.800 0.003 0.000 0.922 525 D HN 0.809 nan 8.370 nan 0.000 0.448 526 E N 0.166 120.374 120.200 0.013 0.000 2.171 526 E HA -0.179 4.261 4.350 0.150 0.000 0.197 526 E C 2.419 179.035 176.600 0.026 0.000 0.997 526 E CA 1.483 57.894 56.400 0.018 0.000 0.810 526 E CB -0.839 28.868 29.700 0.011 0.000 0.738 526 E HN 0.558 nan 8.360 nan 0.000 0.467 527 I N 0.591 121.180 120.570 0.032 0.000 2.133 527 I HA -0.212 4.048 4.170 0.150 0.000 0.238 527 I C 2.880 179.035 176.117 0.064 0.000 1.074 527 I CA 1.923 63.255 61.300 0.052 0.000 1.342 527 I CB -0.425 37.621 38.000 0.078 0.000 1.053 527 I HN 0.255 nan 8.210 nan 0.000 0.404 528 T N 0.514 115.106 114.554 0.063 0.000 2.653 528 T HA -0.201 4.239 4.350 0.150 0.000 0.268 528 T C 1.961 176.711 174.700 0.082 0.000 1.035 528 T CA 1.813 63.960 62.100 0.078 0.000 1.154 528 T CB -0.462 68.447 68.868 0.068 0.000 0.862 528 T HN 0.119 nan 8.240 nan 0.000 0.441 529 V N 1.098 121.048 119.914 0.061 0.000 2.469 529 V HA -0.116 4.093 4.120 0.150 0.000 0.251 529 V C 1.555 177.686 176.094 0.062 0.000 1.064 529 V CA 1.238 63.572 62.300 0.056 0.000 1.066 529 V CB -0.632 31.214 31.823 0.038 0.000 0.667 529 V HN 0.440 nan 8.190 nan 0.000 0.461 533 E N 1.084 121.335 120.200 0.085 0.000 2.072 533 E HA -0.085 4.355 4.350 0.150 0.000 0.191 533 E C 2.016 178.652 176.600 0.060 0.000 0.985 533 E CA 1.597 58.030 56.400 0.055 0.000 0.801 533 E CB -0.144 29.584 29.700 0.047 0.000 0.750 533 E HN 0.375 nan 8.360 nan 0.000 0.452 534 R N 0.225 120.792 120.500 0.111 0.000 2.066 534 R HA -0.039 4.391 4.340 0.150 0.000 0.232 534 R C 2.516 178.885 176.300 0.115 0.000 1.131 534 R CA 1.496 57.681 56.100 0.141 0.000 0.955 534 R CB -0.779 29.650 30.300 0.214 0.000 0.851 534 R HN 0.239 nan 8.270 nan 0.000 0.432 535 R N 0.739 121.304 120.500 0.108 0.000 2.083 535 R HA -0.146 4.284 4.340 0.150 0.000 0.237 535 R C 2.392 178.613 176.300 -0.131 0.000 1.137 535 R CA 1.833 57.818 56.100 -0.192 0.000 0.951 535 R CB -0.186 29.932 30.300 -0.304 0.000 0.851 535 R HN 0.103 nan 8.270 nan 0.000 0.434 536 R N 0.441 120.900 120.500 -0.067 0.000 2.080 536 R HA -0.144 4.286 4.340 0.150 0.000 0.236 536 R C 2.312 178.543 176.300 -0.116 0.000 1.137 536 R CA 1.820 57.870 56.100 -0.084 0.000 0.943 536 R CB -0.374 29.891 30.300 -0.058 0.000 0.846 536 R HN 0.278 nan 8.270 nan 0.000 0.431 537 L N 0.848 122.010 121.223 -0.101 0.000 2.141 537 L HA -0.156 4.274 4.340 0.150 0.000 0.209 537 L C 1.960 178.697 176.870 -0.221 0.000 1.094 537 L CA 0.985 55.714 54.840 -0.185 0.000 0.763 537 L CB -0.507 41.513 42.059 -0.065 0.000 0.908 537 L HN 0.271 nan 8.230 nan 0.000 0.437 538 N N 0.093 118.726 118.700 -0.111 0.000 2.069 538 N HA -0.099 4.731 4.740 0.150 0.000 0.191 538 N C 0.829 176.280 175.510 -0.098 0.000 1.031 538 N CA 0.876 53.876 53.050 -0.084 0.000 0.852 538 N CB -0.146 38.310 38.487 -0.052 0.000 1.018 538 N HN 0.283 nan 8.380 nan 0.000 0.423 542 E N 0.769 120.955 120.200 -0.023 0.000 2.106 542 E HA -0.155 4.285 4.350 0.150 0.000 0.192 542 E C 2.074 178.664 176.600 -0.017 0.000 0.984 542 E CA 1.199 57.591 56.400 -0.012 0.000 0.806 542 E CB -0.184 29.534 29.700 0.029 0.000 0.750 542 E HN 0.524 nan 8.360 nan 0.000 0.458 543 R N 0.418 120.924 120.500 0.011 0.000 2.073 543 R HA -0.156 4.274 4.340 0.150 0.000 0.234 543 R C 1.600 177.923 176.300 0.037 0.000 1.134 543 R CA 1.978 58.105 56.100 0.046 0.000 0.952 543 R CB -0.207 30.121 30.300 0.046 0.000 0.850 543 R HN 0.220 nan 8.270 nan 0.000 0.433 544 D N 0.074 120.501 120.400 0.044 0.000 2.133 544 D HA -0.152 4.578 4.640 0.150 0.000 0.195 544 D C 1.947 178.280 176.300 0.056 0.000 0.997 544 D CA 1.199 55.241 54.000 0.070 0.000 0.840 544 D CB -0.271 40.628 40.800 0.165 0.000 0.947 544 D HN 0.098 nan 8.370 nan 0.000 0.452 545 V N 0.895 120.763 119.914 -0.077 0.000 2.358 545 V HA -0.133 4.077 4.120 0.150 0.000 0.246 545 V C 2.539 178.393 176.094 -0.400 0.000 1.047 545 V CA 1.937 64.047 62.300 -0.315 0.000 1.035 545 V CB -0.989 30.503 31.823 -0.552 0.000 0.658 545 V HN 0.257 nan 8.190 nan 0.000 0.452 546 G N -0.179 108.400 108.800 -0.369 0.000 2.529 546 G HA2 -0.326 3.724 3.960 0.150 0.000 0.219 546 G HA3 -0.326 3.724 3.960 0.150 0.000 0.219 546 G C 1.288 176.132 174.900 -0.094 0.000 1.177 546 G CA 1.234 46.093 45.100 -0.403 0.000 0.773 546 G HN 0.483 nan 8.290 nan 0.000 0.573 547 D N 0.181 120.628 120.400 0.079 0.000 2.116 547 D HA -0.124 4.606 4.640 0.150 0.000 0.193 547 D C 2.154 178.490 176.300 0.060 0.000 0.998 547 D CA 0.919 54.989 54.000 0.116 0.000 0.836 547 D CB -0.359 40.427 40.800 -0.024 0.000 0.951 547 D HN 0.583 nan 8.370 nan 0.000 0.449 548 W N 1.144 122.357 121.300 -0.146 0.000 2.335 548 W HA -0.075 4.675 4.660 0.150 0.000 0.311 548 W C 2.549 178.970 176.519 -0.163 0.000 1.213 548 W CA 0.502 57.738 57.345 -0.182 0.000 1.274 548 W CB -0.532 28.733 29.460 -0.326 0.000 1.148 548 W HN -0.026 nan 8.180 nan 0.000 0.498 549 L N -1.720 119.482 121.223 -0.035 0.000 2.109 549 L HA -0.206 4.224 4.340 0.150 0.000 0.207 549 L C 2.097 179.060 176.870 0.155 0.000 1.086 549 L CA 1.169 55.973 54.840 -0.061 0.000 0.760 549 L CB -1.164 40.680 42.059 -0.358 0.000 0.910 549 L HN 0.081 nan 8.230 nan 0.000 0.437 550 Y N 0.230 120.667 120.300 0.229 0.000 2.207 550 Y HA -0.311 4.330 4.550 0.150 0.000 0.287 550 Y C 2.726 178.711 175.900 0.143 0.000 1.156 550 Y CA 0.726 58.947 58.100 0.201 0.000 1.182 550 Y CB -0.240 38.289 38.460 0.114 0.000 0.979 550 Y HN 0.194 nan 8.280 nan 0.000 0.521 551 A N 0.386 123.354 122.820 0.247 0.000 1.898 551 A HA -0.190 4.220 4.320 0.150 0.000 0.216 551 A C 2.121 179.799 177.584 0.157 0.000 1.181 551 A CA 1.522 53.644 52.037 0.140 0.000 0.620 551 A CB -0.526 18.510 19.000 0.059 0.000 0.819 551 A HN 0.389 nan 8.150 nan 0.000 0.442 552 R N -2.085 118.528 120.500 0.187 0.000 2.120 552 R HA -0.086 4.344 4.340 0.150 0.000 0.234 552 R C 1.887 178.322 176.300 0.224 0.000 1.123 552 R CA 1.489 57.694 56.100 0.175 0.000 0.975 552 R CB -0.386 30.005 30.300 0.151 0.000 0.866 552 R HN 0.565 nan 8.270 nan 0.000 0.446 553 F N 0.616 120.629 119.950 0.104 0.000 2.259 553 F HA 0.017 4.634 4.527 0.151 0.000 0.298 553 F C 1.533 177.388 175.800 0.092 0.000 1.088 553 F CA 1.124 59.187 58.000 0.106 0.000 1.358 553 F CB 0.177 39.262 39.000 0.142 0.000 1.040 553 F HN -0.109 nan 8.300 nan 0.000 0.505 554 L N -0.569 120.716 121.223 0.103 0.000 2.554 554 L HA 0.040 4.469 4.340 0.150 0.000 0.225 554 L C 2.117 178.973 176.870 -0.024 0.000 1.104 554 L CA 0.098 54.914 54.840 -0.039 0.000 0.866 554 L CB -0.351 41.687 42.059 -0.035 0.000 1.047 554 L HN -0.067 nan 8.230 nan 0.000 0.468 555 K N 1.640 122.050 120.400 0.017 0.000 2.074 555 K HA -0.248 4.162 4.320 0.150 0.000 0.209 555 K C 1.632 178.233 176.600 0.002 0.000 1.048 555 K CA 2.188 58.486 56.287 0.018 0.000 0.926 555 K CB -0.381 32.144 32.500 0.041 0.000 0.713 555 K HN 0.417 nan 8.250 nan 0.000 0.444 556 D N -0.747 119.644 120.400 -0.015 0.000 2.378 556 D HA -0.120 4.610 4.640 0.150 0.000 0.227 556 D C 0.717 177.006 176.300 -0.019 0.000 1.012 556 D CA 0.706 54.695 54.000 -0.018 0.000 0.905 556 D CB 0.142 40.925 40.800 -0.028 0.000 0.895 556 D HN 0.128 nan 8.370 nan 0.000 0.532 557 K N 0.265 120.656 120.400 -0.013 0.000 2.354 557 K HA 0.267 4.677 4.320 0.150 0.000 0.194 557 K C 0.760 177.379 176.600 0.031 0.000 1.045 557 K CA 0.067 56.367 56.287 0.022 0.000 1.026 557 K CB 0.393 32.948 32.500 0.092 0.000 0.866 557 K HN 0.166 nan 8.250 nan 0.000 0.530 558 A N 0.954 123.782 122.820 0.014 0.000 2.548 558 A HA 0.404 4.814 4.320 0.150 0.000 0.247 558 A C 1.229 178.816 177.584 0.005 0.000 1.067 558 A CA 1.121 53.165 52.037 0.010 0.000 0.757 558 A CB -0.499 18.505 19.000 0.007 0.000 0.996 558 A HN 0.525 nan 8.150 nan 0.000 0.504 559 G N 1.757 110.556 108.800 -0.001 0.000 2.213 559 G HA2 -0.182 3.868 3.960 0.150 0.000 0.236 559 G HA3 -0.182 3.868 3.960 0.150 0.000 0.236 559 G C 0.678 175.570 174.900 -0.014 0.000 0.991 559 G CA 1.011 46.104 45.100 -0.011 0.000 0.629 559 G HN 2.094 nan 8.290 nan 0.000 0.517 560 T N -1.077 113.475 114.554 -0.005 0.000 2.881 560 T HA 0.515 4.955 4.350 0.150 0.000 0.278 560 T C 1.006 175.697 174.700 -0.015 0.000 0.982 560 T CA 0.566 62.660 62.100 -0.011 0.000 0.989 560 T CB 1.635 70.497 68.868 -0.010 0.000 1.058 560 T HN 0.345 nan 8.240 nan 0.000 0.529 561 D N -0.207 120.175 120.400 -0.030 0.000 2.324 561 D HA 0.020 4.750 4.640 0.150 0.000 0.235 561 D C 0.051 176.312 176.300 -0.065 0.000 1.095 561 D CA -0.253 53.722 54.000 -0.041 0.000 0.871 561 D CB -0.931 39.842 40.800 -0.044 0.000 0.906 561 D HN 0.501 nan 8.370 nan 0.000 0.522 562 T N 2.112 116.622 114.554 -0.073 0.000 2.867 562 T HA 0.120 4.560 4.350 0.150 0.000 0.297 562 T C 0.620 175.190 174.700 -0.216 0.000 0.989 562 T CA -0.223 61.767 62.100 -0.184 0.000 1.159 562 T CB 0.815 69.569 68.868 -0.189 0.000 0.928 562 T HN 0.100 nan 8.240 nan 0.000 0.538 563 R N 2.288 122.590 120.500 -0.330 0.000 2.668 563 R HA 0.660 5.090 4.340 0.150 0.000 0.279 563 R C -1.088 174.927 176.300 -0.475 0.000 0.976 563 R CA -0.655 55.312 56.100 -0.220 0.000 0.978 563 R CB 1.122 31.350 30.300 -0.120 0.000 1.133 563 R HN 0.511 nan 8.270 nan 0.000 0.484 564 F N -0.233 119.702 119.950 -0.026 0.000 2.574 564 F HA 0.397 5.014 4.527 0.150 0.000 0.313 564 F C 0.134 175.922 175.800 -0.020 0.000 1.130 564 F CA -0.956 57.032 58.000 -0.019 0.000 0.936 564 F CB 1.934 40.917 39.000 -0.027 0.000 1.219 564 F HN 0.632 nan 8.300 nan 0.000 0.445 565 A N 2.230 125.141 122.820 0.152 0.000 2.462 565 A HA 0.707 5.117 4.320 0.150 0.000 0.243 565 A C -0.295 177.347 177.584 0.096 0.000 1.076 565 A CA 0.314 52.408 52.037 0.096 0.000 0.773 565 A CB 0.001 19.042 19.000 0.068 0.000 1.010 565 A HN 1.159 nan 8.150 nan 0.000 0.493 566 A N 2.133 124.982 122.820 0.047 0.000 2.437 566 A HA 0.598 5.008 4.320 0.150 0.000 0.293 566 A C -0.473 177.109 177.584 -0.004 0.000 1.038 566 A CA -0.464 51.578 52.037 0.008 0.000 0.708 566 A CB 0.857 19.845 19.000 -0.021 0.000 1.251 566 A HN 0.919 nan 8.150 nan 0.000 0.409 567 E N 2.469 122.670 120.200 0.000 0.000 2.301 567 E HA 0.498 4.938 4.350 0.150 0.000 0.275 567 E C -0.859 175.737 176.600 -0.007 0.000 1.030 567 E CA -0.517 55.889 56.400 0.009 0.000 0.852 567 E CB 0.697 30.416 29.700 0.032 0.000 1.060 567 E HN 0.586 nan 8.360 nan 0.000 0.401 568 I N 5.007 125.576 120.570 -0.003 0.000 2.379 568 I HA -0.005 4.255 4.170 0.150 0.000 0.290 568 I C 0.911 177.049 176.117 0.035 0.000 1.063 568 I CA -0.319 60.977 61.300 -0.006 0.000 1.351 568 I CB 1.163 39.152 38.000 -0.019 0.000 1.410 568 I HN 0.511 nan 8.210 nan 0.000 0.505 569 V N 4.767 124.701 119.914 0.032 0.000 2.492 569 V HA 0.037 4.247 4.120 0.150 0.000 0.241 569 V C 0.282 176.414 176.094 0.064 0.000 1.041 569 V CA 1.168 63.498 62.300 0.050 0.000 1.057 569 V CB -0.378 31.470 31.823 0.042 0.000 0.711 569 V HN 0.928 nan 8.190 nan 0.000 0.468 570 D N -1.569 118.871 120.400 0.067 0.000 2.639 570 D HA 0.413 5.142 4.640 0.150 0.000 0.271 570 D C -1.209 175.143 176.300 0.086 0.000 1.254 570 D CA -0.480 53.568 54.000 0.079 0.000 0.810 570 D CB 2.336 43.181 40.800 0.076 0.000 1.351 570 D HN 0.125 nan 8.370 nan 0.000 0.427 571 I N 0.375 120.999 120.570 0.091 0.000 2.582 571 I HA 0.502 4.762 4.170 0.150 0.000 0.292 571 I C -0.329 175.845 176.117 0.096 0.000 1.066 571 I CA -0.443 60.912 61.300 0.090 0.000 1.053 571 I CB 2.027 40.083 38.000 0.093 0.000 1.241 571 I HN 0.646 nan 8.210 nan 0.000 0.421 572 S N 3.400 119.164 115.700 0.108 0.000 2.685 572 S HA 0.659 5.219 4.470 0.150 0.000 0.282 572 S C 0.751 175.404 174.600 0.088 0.000 1.159 572 S CA -0.249 58.011 58.200 0.099 0.000 0.833 572 S CB 1.842 65.114 63.200 0.120 0.000 1.151 572 S HN 0.699 nan 8.310 nan 0.000 0.485 573 R N 0.549 121.088 120.500 0.065 0.000 2.103 573 R HA 0.099 4.529 4.340 0.150 0.000 0.242 573 R C 2.150 178.484 176.300 0.058 0.000 1.142 573 R CA 2.368 58.495 56.100 0.046 0.000 0.960 573 R CB -1.978 28.335 30.300 0.022 0.000 0.858 573 R HN 1.264 nan 8.270 nan 0.000 0.439 574 G N -1.529 107.329 108.800 0.097 0.000 2.985 574 G HA2 0.444 4.494 3.960 0.150 0.000 0.209 574 G HA3 0.444 4.494 3.960 0.150 0.000 0.209 574 G C 0.704 175.696 174.900 0.153 0.000 1.165 574 G CA 0.898 46.077 45.100 0.132 0.000 0.776 574 G HN 1.268 nan 8.290 nan 0.000 0.541 578 V N -0.715 119.193 119.914 -0.009 0.000 3.001 578 V HA 0.752 4.961 4.120 0.150 0.000 0.314 578 V C -0.690 175.364 176.094 -0.066 0.000 1.099 578 V CA -1.066 61.206 62.300 -0.047 0.000 0.989 578 V CB 2.244 34.017 31.823 -0.083 0.000 1.040 578 V HN 0.795 nan 8.190 nan 0.000 0.434 579 R N 2.865 123.324 120.500 -0.068 0.000 2.439 579 R HA 0.634 5.064 4.340 0.150 0.000 0.310 579 R C -1.131 175.102 176.300 -0.111 0.000 0.955 579 R CA -0.828 55.205 56.100 -0.112 0.000 0.853 579 R CB 1.568 31.830 30.300 -0.064 0.000 1.171 579 R HN 0.930 nan 8.270 nan 0.000 0.449 580 L N 5.088 126.196 121.223 -0.192 0.000 2.462 580 L HA 0.072 4.502 4.340 0.150 0.000 0.272 580 L C 1.455 178.286 176.870 -0.065 0.000 1.166 580 L CA -0.383 54.375 54.840 -0.137 0.000 0.880 580 L CB 1.171 43.072 42.059 -0.262 0.000 1.142 580 L HN 0.591 nan 8.230 nan 0.000 0.473 581 V N 2.130 122.076 119.914 0.052 0.000 2.453 581 V HA -0.176 4.033 4.120 0.150 0.000 0.247 581 V C 1.648 177.857 176.094 0.191 0.000 1.048 581 V CA 1.592 63.963 62.300 0.118 0.000 1.049 581 V CB -0.319 31.568 31.823 0.107 0.000 0.672 581 V HN 0.806 nan 8.190 nan 0.000 0.457 582 D N 0.618 121.124 120.400 0.177 0.000 2.312 582 D HA -0.076 4.654 4.640 0.150 0.000 0.211 582 D C 1.441 177.871 176.300 0.216 0.000 0.964 582 D CA 1.415 55.546 54.000 0.218 0.000 0.877 582 D CB -0.048 40.888 40.800 0.227 0.000 0.924 582 D HN 0.748 nan 8.370 nan 0.000 0.515 583 N N -2.135 116.560 118.700 -0.009 0.000 2.075 583 N HA 0.105 4.935 4.740 0.150 0.000 0.226 583 N C 1.331 176.343 175.510 -0.830 0.000 1.343 583 N CA 0.698 53.627 53.050 -0.202 0.000 0.881 583 N CB 0.550 39.074 38.487 0.061 0.000 1.100 583 N HN -0.010 nan 8.380 nan 0.000 0.495 584 G N -0.331 107.808 108.800 -1.102 0.000 2.179 584 G HA2 -0.145 3.905 3.960 0.150 0.000 0.260 584 G HA3 -0.145 3.905 3.960 0.150 0.000 0.260 584 G C 0.356 174.731 174.900 -0.875 0.000 0.977 584 G CA 0.183 44.615 45.100 -1.113 0.000 0.641 584 G HN 0.852 nan 8.290 nan 0.000 0.533 585 A N 0.452 122.620 122.820 -1.087 0.000 2.445 585 A HA 0.593 5.003 4.320 0.150 0.000 0.242 585 A C 0.560 177.765 177.584 -0.632 0.000 1.075 585 A CA 0.233 51.466 52.037 -1.340 0.000 0.777 585 A CB 0.280 18.731 19.000 -0.915 0.000 1.013 585 A HN 0.639 nan 8.150 nan 0.000 0.493 586 I N 1.204 121.501 120.570 -0.456 0.000 2.336 586 I HA 0.552 4.812 4.170 0.150 0.000 0.292 586 I C 0.616 176.641 176.117 -0.153 0.000 0.991 586 I CA 0.064 61.233 61.300 -0.218 0.000 1.227 586 I CB 0.716 38.644 38.000 -0.119 0.000 1.366 586 I HN 0.747 nan 8.210 nan 0.000 0.466 587 A N 6.239 129.000 122.820 -0.098 0.000 2.435 587 A HA 0.820 5.230 4.320 0.150 0.000 0.296 587 A C -1.551 176.087 177.584 0.090 0.000 1.147 587 A CA -0.480 51.539 52.037 -0.030 0.000 0.775 587 A CB 1.926 20.876 19.000 -0.083 0.000 1.340 587 A HN 0.469 nan 8.150 nan 0.000 0.427 588 F N 0.617 120.529 119.950 -0.063 0.000 2.507 588 F HA 0.698 5.315 4.527 0.150 0.000 0.325 588 F C -0.842 174.951 175.800 -0.013 0.000 1.116 588 F CA -1.216 56.758 58.000 -0.043 0.000 0.930 588 F CB 1.441 40.415 39.000 -0.043 0.000 1.146 588 F HN 0.376 nan 8.300 nan 0.000 0.447 589 I N 7.855 127.981 120.570 -0.740 0.000 2.371 589 I HA 0.309 4.569 4.170 0.150 0.000 0.282 589 I C -2.377 173.228 176.117 -0.853 0.000 1.031 589 I CA -2.085 58.892 61.300 -0.537 0.000 1.180 589 I CB 1.053 38.884 38.000 -0.282 0.000 1.336 589 I HN 0.376 nan 8.210 nan 0.000 0.467 590 P HA 0.007 nan 4.420 nan 0.000 0.266 590 P C 0.760 177.862 177.300 -0.331 0.000 1.195 590 P CA 0.081 62.895 63.100 -0.475 0.000 0.768 590 P CB 1.007 32.480 31.700 -0.377 0.000 0.838 591 A N 6.189 128.882 122.820 -0.211 0.000 1.917 591 A HA -0.151 4.259 4.320 0.150 0.000 0.219 591 A C -0.492 177.042 177.584 -0.083 0.000 1.182 591 A CA 1.860 53.836 52.037 -0.101 0.000 0.633 591 A CB -2.492 16.486 19.000 -0.037 0.000 0.819 591 A HN 0.491 nan 8.150 nan 0.000 0.448 592 P HA -0.079 nan 4.420 nan 0.000 0.234 592 P C 0.579 177.884 177.300 0.008 0.000 1.162 592 P CA 0.869 63.889 63.100 -0.134 0.000 0.759 592 P CB -0.253 31.301 31.700 -0.244 0.000 0.813 593 F N -2.045 117.894 119.950 -0.019 0.000 2.695 593 F HA 0.187 4.803 4.527 0.150 0.000 0.303 593 F C 1.745 177.555 175.800 0.017 0.000 1.091 593 F CA -0.246 57.744 58.000 -0.017 0.000 1.300 593 F CB 0.136 39.107 39.000 -0.048 0.000 1.071 593 F HN -0.185 nan 8.300 nan 0.000 0.578 594 L N -1.089 120.263 121.223 0.216 0.000 2.354 594 L HA 0.095 4.525 4.340 0.150 0.000 0.212 594 L C -0.201 176.837 176.870 0.279 0.000 1.091 594 L CA 0.613 55.591 54.840 0.231 0.000 0.828 594 L CB -0.002 42.181 42.059 0.205 0.000 0.973 594 L HN 0.120 nan 8.230 nan 0.000 0.461 595 H N -2.357 116.770 119.070 0.096 0.000 3.121 595 H HA 0.392 5.038 4.556 0.150 0.000 0.337 595 H C -0.023 175.340 175.328 0.057 0.000 1.198 595 H CA -0.303 55.783 56.048 0.063 0.000 1.274 595 H CB 1.300 31.085 29.762 0.039 0.000 1.954 595 H HN -0.137 nan 8.280 nan 0.000 0.531 596 A N 3.079 125.653 122.820 -0.411 0.000 2.067 596 A HA 0.217 4.626 4.320 0.150 0.000 0.217 596 A C 0.005 177.439 177.584 -0.249 0.000 1.156 596 A CA 1.031 52.912 52.037 -0.260 0.000 0.683 596 A CB 0.154 19.026 19.000 -0.214 0.000 0.808 596 A HN 0.234 nan 8.150 nan 0.000 0.455 597 V N 0.918 120.599 119.914 -0.387 0.000 2.294 597 V HA 0.201 4.411 4.120 0.150 0.000 0.272 597 V C 1.339 177.473 176.094 0.067 0.000 1.027 597 V CA -0.375 61.863 62.300 -0.104 0.000 0.823 597 V CB 0.796 32.599 31.823 -0.032 0.000 1.030 597 V HN 0.661 nan 8.190 nan 0.000 0.457 598 R N 3.015 123.537 120.500 0.037 0.000 2.083 598 R HA -0.178 4.252 4.340 0.150 0.000 0.237 598 R C 1.258 177.599 176.300 0.067 0.000 1.137 598 R CA 2.371 58.504 56.100 0.054 0.000 0.951 598 R CB 0.088 30.402 30.300 0.023 0.000 0.851 598 R HN 0.696 nan 8.270 nan 0.000 0.434 599 D N 0.285 120.718 120.400 0.055 0.000 2.264 599 D HA -0.112 4.618 4.640 0.150 0.000 0.208 599 D C 1.141 177.474 176.300 0.055 0.000 0.966 599 D CA 1.095 55.121 54.000 0.044 0.000 0.864 599 D CB 0.007 40.826 40.800 0.031 0.000 0.933 599 D HN 0.493 nan 8.370 nan 0.000 0.499 600 E N -0.575 119.685 120.200 0.100 0.000 2.481 600 E HA 0.041 4.480 4.350 0.150 0.000 0.195 600 E C 0.138 176.749 176.600 0.017 0.000 1.047 600 E CA -0.132 56.315 56.400 0.077 0.000 0.867 600 E CB 0.415 30.207 29.700 0.153 0.000 0.858 600 E HN 0.131 nan 8.360 nan 0.000 0.513 601 L N 0.878 122.140 121.223 0.065 0.000 2.322 601 L HA 0.332 4.762 4.340 0.150 0.000 0.281 601 L C -1.113 175.771 176.870 0.024 0.000 1.014 601 L CA -0.742 54.116 54.840 0.030 0.000 0.815 601 L CB 1.756 43.879 42.059 0.106 0.000 1.247 601 L HN -0.324 nan 8.230 nan 0.000 0.421 602 V N 4.557 124.476 119.914 0.008 0.000 2.482 602 V HA 0.345 4.555 4.120 0.150 0.000 0.295 602 V C -0.809 175.303 176.094 0.030 0.000 1.026 602 V CA -0.527 61.783 62.300 0.017 0.000 0.856 602 V CB 1.476 33.304 31.823 0.008 0.000 1.001 602 V HN 0.867 nan 8.190 nan 0.000 0.424 603 C N 3.819 123.143 119.300 0.040 0.000 2.264 603 C HA 0.625 5.175 4.460 0.150 0.000 0.322 603 C C 0.743 175.766 174.990 0.054 0.000 1.210 603 C CA -0.478 58.573 59.018 0.055 0.000 1.539 603 C CB 0.474 28.245 27.740 0.053 0.000 2.167 603 C HN 0.860 nan 8.230 nan 0.000 0.463 604 S N 3.157 118.896 115.700 0.064 0.000 2.498 604 S HA 0.162 4.722 4.470 0.150 0.000 0.324 604 S C 0.964 175.608 174.600 0.073 0.000 1.071 604 S CA -0.311 57.926 58.200 0.062 0.000 1.113 604 S CB 0.744 63.982 63.200 0.063 0.000 0.976 604 S HN 0.838 nan 8.310 nan 0.000 0.462 605 Q N 3.162 122.998 119.800 0.059 0.000 2.096 605 Q HA -0.191 4.239 4.340 0.150 0.000 0.204 605 Q C 1.475 177.507 176.000 0.053 0.000 0.982 605 Q CA 2.292 58.129 55.803 0.057 0.000 0.850 605 Q CB -0.221 28.543 28.738 0.042 0.000 0.901 605 Q HN 0.885 nan 8.270 nan 0.000 0.422 606 E N 0.970 121.200 120.200 0.049 0.000 2.028 606 E HA -0.144 4.296 4.350 0.150 0.000 0.191 606 E C 1.445 178.089 176.600 0.074 0.000 0.988 606 E CA 1.939 58.367 56.400 0.047 0.000 0.799 606 E CB -0.224 29.501 29.700 0.041 0.000 0.755 606 E HN 0.423 nan 8.360 nan 0.000 0.447 607 N N -0.225 118.537 118.700 0.102 0.000 2.422 607 N HA 0.057 4.887 4.740 0.150 0.000 0.181 607 N C 0.636 176.280 175.510 0.223 0.000 1.080 607 N CA 0.975 54.121 53.050 0.161 0.000 0.893 607 N CB 0.466 39.051 38.487 0.163 0.000 0.973 607 N HN 0.345 nan 8.380 nan 0.000 0.456 608 G N 1.453 110.360 108.800 0.178 0.000 2.246 608 G HA2 -0.257 3.793 3.960 0.150 0.000 0.273 608 G HA3 -0.257 3.793 3.960 0.150 0.000 0.273 608 G C 0.056 175.129 174.900 0.289 0.000 1.055 608 G CA 0.936 46.172 45.100 0.226 0.000 0.851 608 G HN 0.566 nan 8.290 nan 0.000 0.500 609 T N -3.883 110.785 114.554 0.191 0.000 2.883 609 T HA 0.717 5.157 4.350 0.150 0.000 0.301 609 T C -0.740 174.021 174.700 0.101 0.000 1.158 609 T CA -0.553 61.626 62.100 0.133 0.000 1.007 609 T CB 2.972 71.897 68.868 0.095 0.000 1.186 609 T HN 0.899 nan 8.240 nan 0.000 0.499 610 V N 2.225 122.195 119.914 0.093 0.000 2.409 610 V HA 0.497 4.707 4.120 0.150 0.000 0.291 610 V C -0.495 175.592 176.094 -0.011 0.000 1.020 610 V CA -0.611 61.739 62.300 0.083 0.000 0.848 610 V CB 1.498 33.450 31.823 0.215 0.000 0.990 610 V HN 0.916 nan 8.190 nan 0.000 0.430 611 Q N 4.898 124.680 119.800 -0.029 0.000 2.340 611 Q HA 0.639 5.069 4.340 0.150 0.000 0.268 611 Q C -1.235 174.694 176.000 -0.120 0.000 1.031 611 Q CA -0.565 55.191 55.803 -0.078 0.000 0.804 611 Q CB 3.160 31.869 28.738 -0.049 0.000 1.286 611 Q HN 0.627 nan 8.270 nan 0.000 0.448 612 I N 2.798 123.255 120.570 -0.189 0.000 2.382 612 I HA 0.193 4.453 4.170 0.150 0.000 0.286 612 I C -0.121 175.877 176.117 -0.198 0.000 1.002 612 I CA -0.606 60.520 61.300 -0.291 0.000 1.135 612 I CB 1.071 38.778 38.000 -0.488 0.000 1.288 612 I HN 0.616 nan 8.210 nan 0.000 0.448 613 K N 4.505 124.820 120.400 -0.143 0.000 3.077 613 K HA -0.228 4.182 4.320 0.150 0.000 0.264 613 K C 0.861 177.423 176.600 -0.063 0.000 1.008 613 K CA 0.599 56.841 56.287 -0.075 0.000 0.740 613 K CB -1.613 30.852 32.500 -0.060 0.000 1.273 613 K HN 1.214 nan 8.250 nan 0.000 0.477 614 G N -0.132 108.632 108.800 -0.060 0.000 2.155 614 G HA2 -0.326 3.724 3.960 0.150 0.000 0.257 614 G HA3 -0.326 3.724 3.960 0.150 0.000 0.257 614 G C -0.291 174.577 174.900 -0.054 0.000 0.983 614 G CA 0.784 45.857 45.100 -0.045 0.000 0.676 614 G HN 0.533 nan 8.290 nan 0.000 0.528 615 E N 0.295 120.449 120.200 -0.077 0.000 2.222 615 E HA 0.478 4.918 4.350 0.150 0.000 0.267 615 E C -0.198 176.337 176.600 -0.108 0.000 0.884 615 E CA -0.645 55.704 56.400 -0.085 0.000 0.764 615 E CB 1.332 30.977 29.700 -0.091 0.000 1.169 615 E HN 0.103 nan 8.360 nan 0.000 0.413 616 T N 1.758 116.252 114.554 -0.101 0.000 2.888 616 T HA 0.060 4.500 4.350 0.150 0.000 0.301 616 T C 0.753 175.347 174.700 -0.178 0.000 1.001 616 T CA -0.073 61.956 62.100 -0.120 0.000 1.147 616 T CB 0.827 69.629 68.868 -0.109 0.000 0.931 616 T HN 0.226 nan 8.240 nan 0.000 0.541 617 V N 2.389 122.157 119.914 -0.244 0.000 3.137 617 V HA 0.265 4.475 4.120 0.150 0.000 0.236 617 V C -0.473 175.302 176.094 -0.531 0.000 1.260 617 V CA 0.317 62.348 62.300 -0.448 0.000 1.244 617 V CB 0.150 31.598 31.823 -0.625 0.000 1.016 617 V HN 0.832 nan 8.190 nan 0.000 0.477 618 Y N 0.139 120.404 120.300 -0.058 0.000 2.462 618 Y HA 0.669 5.309 4.550 0.150 0.000 0.346 618 Y C -0.089 175.774 175.900 -0.062 0.000 0.976 618 Y CA -0.956 57.114 58.100 -0.051 0.000 1.044 618 Y CB 1.939 40.383 38.460 -0.026 0.000 1.230 618 Y HN -0.094 nan 8.280 nan 0.000 0.455 619 K N 1.525 121.984 120.400 0.098 0.000 2.375 619 K HA 0.526 4.936 4.320 0.150 0.000 0.249 619 K C -1.166 175.517 176.600 0.139 0.000 0.942 619 K CA -1.147 55.147 56.287 0.011 0.000 0.806 619 K CB 2.902 35.186 32.500 -0.360 0.000 1.227 619 K HN 0.331 nan 8.250 nan 0.000 0.430 620 V N 2.466 122.545 119.914 0.274 0.000 2.720 620 V HA -0.143 4.067 4.120 0.150 0.000 0.307 620 V C 1.295 177.528 176.094 0.232 0.000 1.071 620 V CA 1.884 64.323 62.300 0.232 0.000 1.199 620 V CB 0.303 32.254 31.823 0.214 0.000 0.900 620 V HN 1.171 nan 8.190 nan 0.000 0.494 621 T N 0.986 115.622 114.554 0.136 0.000 6.412 621 T HA -0.205 4.235 4.350 0.150 0.000 0.279 621 T C 0.092 174.840 174.700 0.081 0.000 2.177 621 T CA 0.843 63.007 62.100 0.106 0.000 3.599 621 T CB -1.882 67.057 68.868 0.118 0.000 1.259 621 T HN 0.667 nan 8.240 nan 0.000 1.146 622 D N 1.195 121.640 120.400 0.076 0.000 2.399 622 D HA 0.482 5.212 4.640 0.150 0.000 0.241 622 D C 0.622 176.947 176.300 0.042 0.000 1.133 622 D CA -0.021 54.013 54.000 0.057 0.000 0.890 622 D CB 1.450 42.298 40.800 0.080 0.000 1.201 622 D HN 0.450 nan 8.370 nan 0.000 0.432 623 V N 3.245 123.182 119.914 0.039 0.000 2.539 623 V HA 0.513 4.723 4.120 0.150 0.000 0.292 623 V C 0.530 176.643 176.094 0.033 0.000 1.045 623 V CA -0.553 61.765 62.300 0.029 0.000 0.945 623 V CB 1.165 33.008 31.823 0.033 0.000 0.993 623 V HN 0.385 nan 8.190 nan 0.000 0.464 624 I N -0.284 120.294 120.570 0.014 0.000 2.994 624 I HA 0.644 4.904 4.170 0.150 0.000 0.306 624 I C -1.125 175.003 176.117 0.018 0.000 1.195 624 I CA -0.917 60.396 61.300 0.022 0.000 1.001 624 I CB 2.550 40.540 38.000 -0.017 0.000 1.244 624 I HN 0.369 nan 8.210 nan 0.000 0.437 625 D N 4.035 124.452 120.400 0.029 0.000 2.304 625 D HA 0.486 5.215 4.640 0.150 0.000 0.250 625 D C -0.142 176.174 176.300 0.027 0.000 1.107 625 D CA 0.023 54.042 54.000 0.032 0.000 0.885 625 D CB 2.504 43.316 40.800 0.021 0.000 1.192 625 D HN 0.567 nan 8.370 nan 0.000 0.436 626 V N -1.204 118.744 119.914 0.056 0.000 3.130 626 V HA 0.786 4.996 4.120 0.150 0.000 0.310 626 V C -0.161 175.997 176.094 0.107 0.000 1.158 626 V CA -0.908 61.418 62.300 0.045 0.000 1.029 626 V CB 1.795 33.624 31.823 0.010 0.000 1.057 626 V HN 0.654 nan 8.190 nan 0.000 0.436 627 T N 0.135 114.730 114.554 0.068 0.000 2.942 627 T HA 0.755 5.195 4.350 0.150 0.000 0.289 627 T C -0.418 174.325 174.700 0.072 0.000 1.044 627 T CA -0.782 61.380 62.100 0.104 0.000 1.023 627 T CB 1.712 70.594 68.868 0.022 0.000 1.123 627 T HN 0.726 nan 8.240 nan 0.000 0.512 628 I N 1.998 122.626 120.570 0.097 0.000 2.325 628 I HA 0.374 4.634 4.170 0.150 0.000 0.291 628 I C 1.253 177.372 176.117 0.004 0.000 1.019 628 I CA -0.690 60.623 61.300 0.022 0.000 1.302 628 I CB 0.384 38.387 38.000 0.006 0.000 1.401 628 I HN 1.011 nan 8.210 nan 0.000 0.485 629 A N 6.340 129.155 122.820 -0.009 0.000 1.911 629 A HA 0.094 4.503 4.320 0.150 0.000 0.212 629 A C 0.647 178.236 177.584 0.008 0.000 1.189 629 A CA 0.617 52.643 52.037 -0.018 0.000 0.639 629 A CB 0.249 19.235 19.000 -0.025 0.000 0.839 629 A HN 0.813 nan 8.150 nan 0.000 0.449 630 E N -1.577 118.636 120.200 0.021 0.000 2.388 630 E HA 0.522 4.962 4.350 0.150 0.000 0.280 630 E C -2.038 174.571 176.600 0.015 0.000 1.019 630 E CA -0.828 55.586 56.400 0.023 0.000 0.806 630 E CB 1.591 31.315 29.700 0.039 0.000 1.246 630 E HN -0.031 nan 8.360 nan 0.000 0.443 631 V N 2.467 122.387 119.914 0.010 0.000 2.419 631 V HA 0.411 4.620 4.120 0.150 0.000 0.287 631 V C -0.091 176.005 176.094 0.004 0.000 1.017 631 V CA -0.683 61.619 62.300 0.004 0.000 0.844 631 V CB 0.979 32.806 31.823 0.008 0.000 1.011 631 V HN 0.616 nan 8.190 nan 0.000 0.429 635 T N -1.174 113.306 114.554 -0.123 0.000 3.065 635 T HA 0.280 4.720 4.350 0.150 0.000 0.252 635 T C 0.681 175.220 174.700 -0.269 0.000 1.099 635 T CA 0.600 62.589 62.100 -0.184 0.000 1.063 635 T CB 0.043 68.822 68.868 -0.149 0.000 0.948 635 T HN 0.247 nan 8.240 nan 0.000 0.506 636 R N 0.341 120.692 120.500 -0.249 0.000 3.878 636 R HA -0.111 4.319 4.340 0.150 0.000 0.330 636 R C -0.350 175.863 176.300 -0.146 0.000 1.186 636 R CA 0.731 56.689 56.100 -0.236 0.000 0.885 636 R CB -2.802 27.245 30.300 -0.421 0.000 1.377 636 R HN 0.439 nan 8.270 nan 0.000 0.523 637 S N 0.123 115.752 115.700 -0.118 0.000 2.537 637 S HA 0.608 5.168 4.470 0.150 0.000 0.275 637 S C 0.414 174.990 174.600 -0.040 0.000 1.272 637 S CA -0.507 57.643 58.200 -0.083 0.000 1.050 637 S CB 1.051 64.197 63.200 -0.089 0.000 0.961 637 S HN 0.222 nan 8.310 nan 0.000 0.496 638 I N 3.887 124.441 120.570 -0.025 0.000 2.433 638 I HA 0.416 4.676 4.170 0.150 0.000 0.292 638 I C -0.679 175.456 176.117 0.030 0.000 1.001 638 I CA -0.569 60.722 61.300 -0.015 0.000 1.119 638 I CB 1.293 39.259 38.000 -0.057 0.000 1.289 638 I HN 0.343 nan 8.210 nan 0.000 0.438 639 I N 4.977 125.574 120.570 0.045 0.000 2.441 639 I HA 0.680 4.940 4.170 0.150 0.000 0.295 639 I C 0.242 176.383 176.117 0.040 0.000 0.994 639 I CA -0.475 60.877 61.300 0.087 0.000 1.144 639 I CB 1.474 39.557 38.000 0.139 0.000 1.314 639 I HN 0.602 nan 8.210 nan 0.000 0.445 640 A N 7.180 130.014 122.820 0.022 0.000 2.386 640 A HA 0.924 5.333 4.320 0.150 0.000 0.308 640 A C -0.409 177.172 177.584 -0.004 0.000 1.128 640 A CA -0.748 51.281 52.037 -0.015 0.000 0.789 640 A CB 1.854 20.823 19.000 -0.051 0.000 1.325 640 A HN 0.733 nan 8.150 nan 0.000 0.437 641 R N 0.399 120.873 120.500 -0.043 0.000 2.673 641 R HA 0.501 4.931 4.340 0.150 0.000 0.281 641 R C -3.002 173.267 176.300 -0.051 0.000 0.991 641 R CA -1.917 54.142 56.100 -0.069 0.000 0.896 641 R CB 2.058 32.224 30.300 -0.223 0.000 1.201 641 R HN 0.426 nan 8.270 nan 0.000 0.457 642 P HA -0.017 nan 4.420 nan 0.000 0.268 642 P C -0.243 177.055 177.300 -0.005 0.000 1.205 642 P CA -0.269 62.825 63.100 -0.010 0.000 0.771 642 P CB 0.481 32.206 31.700 0.042 0.000 0.858 643 V N 2.634 122.552 119.914 0.006 0.000 2.585 643 V HA 0.211 4.421 4.120 0.150 0.000 0.296 643 V C 1.022 177.125 176.094 0.015 0.000 1.035 643 V CA 0.419 62.720 62.300 0.002 0.000 1.084 643 V CB -0.037 31.788 31.823 0.004 0.000 0.953 643 V HN 0.708 nan 8.190 nan 0.000 0.483 644 A N 0.000 122.821 122.820 0.001 0.000 2.254 644 A HA 0.000 4.410 4.320 0.150 0.000 0.244 644 A CA 0.000 52.042 52.037 0.009 0.000 0.836 644 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 644 A HN 0.000 nan 8.150 nan 0.000 0.486