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 2pmd_1_A DATA FIRST_RESID 2 DATA SEQUENCE AWPKVQPEVN IGVVGHVDHG KTTLVQAITG IWTSKHSEEL KRGMTIKLGY DATA SEQUENCE AETNIGVcES cKKPEAYVTE PScKScGSDD EPKFLRRISF IDAPGHEVLM DATA SEQUENCE ATMLSGAALM DGAILVVAAN EPFPQPQTRE HFVALGIIGV KNLIIVQNKV DATA SEQUENCE DVVSKEEALS QYRQIKQFTK GTWAENVPII PVSALHKINI DSLIEGIEEY DATA SEQUENCE IKTPYRDLSQ KPVMLVIRSF DVNKPGTQFN ELKGGVIGGS IIQGLFKVDQ DATA SEQUENCE EIKVLPGLRV EKQGKVSYEP IFTKISSIRF GDEEFKEAKP GGLVAIGTYL DATA SEQUENCE DPSLTKADNL LGSIITLADA EVPVLWNIRI KYNLLERVVG AKEMLKVDPI DATA SEQUENCE RAKETLMLSV GSSTTLGIVT SVKKDEIEVE LRRPVAVWSN NIRTVISRQI DATA SEQUENCE AGRWRMIGWG LVEI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.694 177.584 0.183 0.000 1.274 2 A CA 0.000 52.065 52.037 0.047 0.000 0.836 2 A CB 0.000 19.010 19.000 0.017 0.000 0.831 3 W N 1.173 122.414 121.300 -0.097 0.000 2.448 3 W HA 0.641 5.274 4.660 -0.046 0.000 0.339 3 W C -1.950 174.396 176.519 -0.290 0.000 1.124 3 W CA -1.857 55.354 57.345 -0.223 0.000 1.262 3 W CB 0.314 29.653 29.460 -0.201 0.000 1.251 3 W HN 0.576 nan 8.180 nan 0.000 0.597 4 P HA 0.243 nan 4.420 nan 0.000 0.284 4 P C -0.936 176.232 177.300 -0.219 0.000 1.253 4 P CA -0.350 62.597 63.100 -0.255 0.000 0.800 4 P CB 1.169 32.685 31.700 -0.306 0.000 0.961 5 K N 1.600 121.954 120.400 -0.077 0.000 2.502 5 K HA 0.283 4.574 4.320 -0.048 0.000 0.244 5 K C 0.382 177.041 176.600 0.098 0.000 1.249 5 K CA -0.428 55.859 56.287 -0.000 0.000 1.193 5 K CB 0.294 32.783 32.500 -0.020 0.000 1.674 5 K HN 0.223 nan 8.250 nan 0.000 0.302 6 V N 1.352 121.320 119.914 0.089 0.000 3.513 6 V HA 0.189 4.281 4.120 -0.048 0.000 0.297 6 V C -0.340 175.837 176.094 0.138 0.000 1.058 6 V CA -0.484 61.921 62.300 0.175 0.000 1.003 6 V CB 1.643 33.499 31.823 0.056 0.000 1.236 6 V HN 0.661 nan 8.190 nan 0.000 0.436 7 Q N 2.001 121.676 119.800 -0.209 0.000 2.215 7 Q HA 0.616 4.927 4.340 -0.048 0.000 0.256 7 Q C -2.720 173.043 176.000 -0.395 0.000 0.972 7 Q CA -2.052 53.362 55.803 -0.647 0.000 0.889 7 Q CB 0.734 28.459 28.738 -1.689 0.000 1.281 7 Q HN 0.478 nan 8.270 nan 0.000 0.456 8 P HA -0.068 nan 4.420 nan 0.000 0.269 8 P C -0.660 176.519 177.300 -0.200 0.000 1.209 8 P CA 0.025 63.029 63.100 -0.160 0.000 0.776 8 P CB 0.447 32.117 31.700 -0.050 0.000 0.876 9 E N 0.728 120.841 120.200 -0.144 0.000 2.583 9 E HA 0.323 4.645 4.350 -0.048 0.000 0.213 9 E C -0.419 176.114 176.600 -0.112 0.000 0.989 9 E CA -0.337 55.983 56.400 -0.134 0.000 0.991 9 E CB 0.586 30.214 29.700 -0.120 0.000 1.040 9 E HN 0.148 nan 8.360 nan 0.000 0.481 10 V N 1.024 120.868 119.914 -0.116 0.000 2.924 10 V HA 0.320 4.411 4.120 -0.048 0.000 0.300 10 V C -2.100 173.909 176.094 -0.141 0.000 1.227 10 V CA -0.910 61.319 62.300 -0.118 0.000 0.954 10 V CB 2.151 33.894 31.823 -0.134 0.000 1.055 10 V HN 0.195 nan 8.190 nan 0.000 0.429 11 N N 5.692 124.326 118.700 -0.110 0.000 2.400 11 N HA 0.674 5.385 4.740 -0.048 0.000 0.288 11 N C -0.996 174.420 175.510 -0.156 0.000 1.024 11 N CA -0.145 52.836 53.050 -0.115 0.000 0.894 11 N CB 2.085 40.557 38.487 -0.024 0.000 1.173 11 N HN 0.646 nan 8.380 nan 0.000 0.487 12 I N 0.428 120.845 120.570 -0.255 0.000 2.436 12 I HA 0.418 4.559 4.170 -0.048 0.000 0.289 12 I C 0.668 176.750 176.117 -0.058 0.000 1.010 12 I CA -0.898 60.281 61.300 -0.201 0.000 1.098 12 I CB 2.128 39.907 38.000 -0.367 0.000 1.266 12 I HN 0.378 nan 8.210 nan 0.000 0.434 13 G N 5.224 114.030 108.800 0.009 0.000 2.356 13 G HA2 0.582 4.514 3.960 -0.048 0.000 0.322 13 G HA3 0.582 4.514 3.960 -0.048 0.000 0.322 13 G C -0.816 174.130 174.900 0.076 0.000 1.125 13 G CA -0.365 44.765 45.100 0.050 0.000 0.885 13 G HN 0.333 nan 8.290 nan 0.000 0.467 14 V N 2.853 122.819 119.914 0.086 0.000 2.328 14 V HA 0.441 4.533 4.120 -0.048 0.000 0.278 14 V C 0.321 176.416 176.094 0.001 0.000 1.021 14 V CA -0.724 61.612 62.300 0.059 0.000 0.838 14 V CB 1.000 32.854 31.823 0.051 0.000 0.999 14 V HN 0.762 nan 8.190 nan 0.000 0.447 15 V N 2.212 122.117 119.914 -0.015 0.000 2.459 15 V HA 1.076 5.167 4.120 -0.048 0.000 0.295 15 V C 0.166 176.251 176.094 -0.015 0.000 1.029 15 V CA -0.221 62.021 62.300 -0.097 0.000 0.874 15 V CB 1.384 33.099 31.823 -0.180 0.000 0.985 15 V HN 0.981 nan 8.190 nan 0.000 0.438 16 G N 2.779 111.584 108.800 0.007 0.000 2.684 16 G HA2 0.375 4.306 3.960 -0.048 0.000 0.289 16 G HA3 0.375 4.306 3.960 -0.048 0.000 0.289 16 G C -0.796 174.249 174.900 0.242 0.000 1.416 16 G CA -0.616 44.580 45.100 0.160 0.000 1.235 16 G HN 1.477 nan 8.290 nan 0.000 0.576 17 H N 1.954 121.084 119.070 0.100 0.000 3.223 17 H HA 0.023 4.549 4.556 -0.050 0.000 0.287 17 H C 0.807 175.986 175.328 -0.248 0.000 0.910 17 H CA -0.121 55.807 56.048 -0.200 0.000 1.406 17 H CB 0.807 30.127 29.762 -0.735 0.000 1.377 17 H HN 0.474 nan 8.280 nan 0.000 0.556 18 V N 6.958 127.007 119.914 0.226 0.000 2.611 18 V HA -0.176 3.915 4.120 -0.048 0.000 0.296 18 V C 0.098 176.232 176.094 0.067 0.000 1.006 18 V CA 1.730 64.095 62.300 0.109 0.000 1.194 18 V CB -0.563 31.263 31.823 0.005 0.000 0.871 18 V HN 1.223 nan 8.190 nan 0.000 0.470 19 D N 3.607 124.021 120.400 0.022 0.000 3.131 19 D HA -0.132 4.479 4.640 -0.048 0.000 0.209 19 D C 0.589 176.963 176.300 0.124 0.000 1.028 19 D CA 1.115 55.137 54.000 0.037 0.000 0.957 19 D CB -1.413 39.401 40.800 0.024 0.000 1.059 19 D HN 0.938 nan 8.370 nan 0.000 0.448 20 H N -0.841 118.182 119.070 -0.079 0.000 2.750 20 H HA 0.342 4.869 4.556 -0.048 0.000 0.263 20 H C 1.848 177.148 175.328 -0.047 0.000 0.964 20 H CA 0.642 56.640 56.048 -0.083 0.000 1.205 20 H CB 1.530 31.250 29.762 -0.069 0.000 1.454 20 H HN 0.299 nan 8.280 nan 0.000 0.503 21 G N 0.934 109.780 108.800 0.077 0.000 2.613 21 G HA2 -0.214 3.718 3.960 -0.048 0.000 0.199 21 G HA3 -0.214 3.718 3.960 -0.048 0.000 0.199 21 G C 1.000 175.878 174.900 -0.037 0.000 0.991 21 G CA 0.058 45.165 45.100 0.011 0.000 0.756 21 G HN 0.179 nan 8.290 nan 0.000 0.515 22 K N 0.509 120.888 120.400 -0.036 0.000 1.998 22 K HA -0.212 4.079 4.320 -0.048 0.000 0.228 22 K C 2.378 178.861 176.600 -0.194 0.000 1.053 22 K CA 2.388 58.622 56.287 -0.090 0.000 0.988 22 K CB -1.036 31.422 32.500 -0.069 0.000 0.735 22 K HN 0.267 nan 8.250 nan 0.000 0.448 23 T N 0.928 115.308 114.554 -0.290 0.000 2.685 23 T HA -0.179 4.142 4.350 -0.048 0.000 0.268 23 T C 2.063 176.408 174.700 -0.592 0.000 1.034 23 T CA 2.157 63.900 62.100 -0.595 0.000 1.149 23 T CB -0.571 67.739 68.868 -0.931 0.000 0.860 23 T HN 0.366 nan 8.240 nan 0.000 0.449 24 T N 1.685 116.090 114.554 -0.247 0.000 2.896 24 T HA 0.101 4.422 4.350 -0.048 0.000 0.263 24 T C 1.851 176.507 174.700 -0.074 0.000 1.050 24 T CA 0.446 62.539 62.100 -0.011 0.000 1.140 24 T CB -0.312 68.607 68.868 0.085 0.000 0.877 24 T HN 0.135 nan 8.240 nan 0.000 0.457 25 L N 1.568 122.716 121.223 -0.124 0.000 2.056 25 L HA 0.040 4.351 4.340 -0.048 0.000 0.207 25 L C 2.335 179.064 176.870 -0.235 0.000 1.078 25 L CA 1.471 56.227 54.840 -0.141 0.000 0.749 25 L CB -0.738 41.248 42.059 -0.121 0.000 0.901 25 L HN 0.052 nan 8.230 nan 0.000 0.433 26 V N -0.288 119.443 119.914 -0.305 0.000 2.490 26 V HA -0.304 3.788 4.120 -0.048 0.000 0.250 26 V C 2.582 178.474 176.094 -0.336 0.000 1.061 26 V CA 1.972 63.998 62.300 -0.457 0.000 1.064 26 V CB -0.717 30.872 31.823 -0.391 0.000 0.670 26 V HN 0.632 nan 8.190 nan 0.000 0.461 27 Q N -0.113 119.565 119.800 -0.203 0.000 2.123 27 Q HA -0.143 4.168 4.340 -0.048 0.000 0.199 27 Q C 2.267 178.237 176.000 -0.050 0.000 0.966 27 Q CA 1.550 57.316 55.803 -0.062 0.000 0.845 27 Q CB -0.218 28.607 28.738 0.145 0.000 0.907 27 Q HN 0.632 nan 8.270 nan 0.000 0.439 28 A N 0.296 123.077 122.820 -0.066 0.000 2.070 28 A HA -0.126 4.165 4.320 -0.048 0.000 0.220 28 A C 1.743 179.289 177.584 -0.064 0.000 1.159 28 A CA 1.070 53.079 52.037 -0.047 0.000 0.656 28 A CB -0.325 18.646 19.000 -0.049 0.000 0.800 28 A HN 0.448 nan 8.150 nan 0.000 0.453 29 I N -1.256 119.232 120.570 -0.137 0.000 2.681 29 I HA -0.081 4.061 4.170 -0.048 0.000 0.247 29 I C 2.731 178.804 176.117 -0.074 0.000 1.091 29 I CA 1.424 62.645 61.300 -0.130 0.000 1.442 29 I CB -0.590 37.243 38.000 -0.279 0.000 1.219 29 I HN 0.407 nan 8.210 nan 0.000 0.451 30 T N -1.488 112.988 114.554 -0.129 0.000 2.896 30 T HA 0.134 4.455 4.350 -0.048 0.000 0.263 30 T C 1.644 176.354 174.700 0.016 0.000 1.050 30 T CA 0.923 63.010 62.100 -0.021 0.000 1.140 30 T CB 0.043 68.889 68.868 -0.036 0.000 0.877 30 T HN 0.563 nan 8.240 nan 0.000 0.457 31 G N 1.114 109.911 108.800 -0.006 0.000 2.134 31 G HA2 -0.107 3.824 3.960 -0.048 0.000 0.209 31 G HA3 -0.107 3.824 3.960 -0.048 0.000 0.209 31 G C -0.104 174.820 174.900 0.039 0.000 0.993 31 G CA -0.004 45.113 45.100 0.028 0.000 0.669 31 G HN 0.673 nan 8.290 nan 0.000 0.519 32 I N -1.586 118.987 120.570 0.005 0.000 2.785 32 I HA 0.598 4.740 4.170 -0.048 0.000 0.302 32 I C -0.632 175.446 176.117 -0.065 0.000 1.069 32 I CA -1.330 59.947 61.300 -0.038 0.000 1.045 32 I CB 1.877 39.841 38.000 -0.060 0.000 1.236 32 I HN 0.028 nan 8.210 nan 0.000 0.429 33 W N 4.665 125.724 121.300 -0.402 0.000 2.298 33 W HA 0.287 4.925 4.660 -0.037 0.000 0.327 33 W C 1.463 177.761 176.519 -0.368 0.000 0.988 33 W CA -0.521 56.644 57.345 -0.299 0.000 1.448 33 W CB 1.128 30.485 29.460 -0.172 0.000 1.243 33 W HN 0.753 nan 8.180 nan 0.000 0.388 34 T N -0.604 113.742 114.554 -0.346 0.000 2.505 34 T HA -0.329 3.993 4.350 -0.048 0.000 0.259 34 T C 2.156 176.819 174.700 -0.061 0.000 1.158 34 T CA 2.178 64.171 62.100 -0.179 0.000 1.190 34 T CB -0.949 67.819 68.868 -0.166 0.000 0.864 34 T HN 0.325 nan 8.240 nan 0.000 0.413 35 S N 1.665 117.235 115.700 -0.217 0.000 2.435 35 S HA -0.212 4.229 4.470 -0.048 0.000 0.250 35 S C 0.794 175.488 174.600 0.157 0.000 1.065 35 S CA 1.955 60.108 58.200 -0.078 0.000 1.243 35 S CB -0.527 62.520 63.200 -0.256 0.000 1.158 35 S HN 0.787 nan 8.310 nan 0.000 0.430 36 K N -1.138 119.480 120.400 0.363 0.000 2.427 36 K HA 0.502 4.794 4.320 -0.048 0.000 0.252 36 K C -0.087 176.804 176.600 0.484 0.000 0.931 36 K CA -0.465 56.048 56.287 0.377 0.000 0.793 36 K CB 1.509 34.206 32.500 0.328 0.000 1.211 36 K HN 0.515 nan 8.250 nan 0.000 0.426 37 H N 0.792 119.981 119.070 0.197 0.000 2.587 37 H HA 0.129 4.656 4.556 -0.049 0.000 0.133 37 H C 0.251 175.646 175.328 0.112 0.000 1.140 37 H CA 0.513 56.673 56.048 0.188 0.000 1.119 37 H CB 0.856 30.730 29.762 0.187 0.000 0.844 37 H HN 0.572 nan 8.280 nan 0.000 0.265 38 S N -0.547 115.189 115.700 0.060 0.000 1.936 38 S HA 0.021 4.463 4.470 -0.048 0.000 0.184 38 S C -0.197 174.352 174.600 -0.086 0.000 0.757 38 S CA 0.095 58.301 58.200 0.010 0.000 1.740 38 S CB 0.381 63.665 63.200 0.140 0.000 1.156 38 S HN 0.594 nan 8.310 nan 0.000 0.474 39 E N -0.354 119.736 120.200 -0.184 0.000 2.390 39 E HA 0.532 4.853 4.350 -0.048 0.000 0.280 39 E C -1.150 175.379 176.600 -0.118 0.000 0.992 39 E CA -0.517 55.813 56.400 -0.116 0.000 0.790 39 E CB 1.412 31.057 29.700 -0.093 0.000 1.248 39 E HN 0.032 nan 8.360 nan 0.000 0.447 40 E N 2.522 122.671 120.200 -0.085 0.000 2.646 40 E HA 0.130 4.452 4.350 -0.048 0.000 0.207 40 E C 1.622 178.165 176.600 -0.095 0.000 0.922 40 E CA 0.134 56.479 56.400 -0.092 0.000 1.482 40 E CB 0.350 30.000 29.700 -0.084 0.000 1.509 40 E HN 0.591 nan 8.360 nan 0.000 0.831 41 L N 0.529 121.709 121.223 -0.073 0.000 2.349 41 L HA -0.026 4.285 4.340 -0.048 0.000 0.220 41 L C 1.725 178.555 176.870 -0.067 0.000 1.130 41 L CA 1.350 56.151 54.840 -0.066 0.000 0.791 41 L CB -0.043 41.989 42.059 -0.046 0.000 0.918 41 L HN -0.063 nan 8.230 nan 0.000 0.444 42 K N -0.720 119.643 120.400 -0.061 0.000 2.974 42 K HA 0.118 4.409 4.320 -0.048 0.000 0.144 42 K C -0.254 176.332 176.600 -0.024 0.000 1.066 42 K CA -0.292 55.968 56.287 -0.045 0.000 1.110 42 K CB 0.492 32.978 32.500 -0.023 0.000 0.748 42 K HN -0.139 nan 8.250 nan 0.000 0.389 43 R N 0.314 120.789 120.500 -0.042 0.000 2.338 43 R HA 0.401 4.713 4.340 -0.048 0.000 0.317 43 R C -0.182 176.116 176.300 -0.003 0.000 0.968 43 R CA -0.218 55.874 56.100 -0.014 0.000 0.849 43 R CB 1.313 31.571 30.300 -0.070 0.000 1.128 43 R HN 0.255 nan 8.270 nan 0.000 0.448 44 G N 5.563 114.398 108.800 0.058 0.000 2.150 44 G HA2 0.166 4.098 3.960 -0.048 0.000 0.250 44 G HA3 0.166 4.098 3.960 -0.048 0.000 0.250 44 G C 0.143 175.070 174.900 0.044 0.000 1.179 44 G CA 0.068 45.196 45.100 0.046 0.000 0.934 44 G HN 0.696 nan 8.290 nan 0.000 0.453 45 M N 1.556 121.173 119.600 0.029 0.000 2.724 45 M HA 0.828 5.279 4.480 -0.048 0.000 0.310 45 M C -0.387 175.962 176.300 0.081 0.000 1.217 45 M CA -0.855 54.482 55.300 0.061 0.000 0.894 45 M CB 2.344 34.971 32.600 0.044 0.000 1.719 45 M HN 0.275 nan 8.290 nan 0.000 0.479 46 T N 0.442 115.034 114.554 0.063 0.000 2.742 46 T HA 0.372 4.693 4.350 -0.048 0.000 0.282 46 T C 0.665 175.386 174.700 0.035 0.000 1.025 46 T CA -0.662 61.448 62.100 0.016 0.000 1.020 46 T CB 1.410 70.260 68.868 -0.031 0.000 1.317 46 T HN 0.752 nan 8.240 nan 0.000 0.538 47 I N 0.932 121.494 120.570 -0.014 0.000 2.315 47 I HA -0.166 3.975 4.170 -0.048 0.000 0.251 47 I C 1.476 177.597 176.117 0.007 0.000 1.125 47 I CA 1.931 63.222 61.300 -0.014 0.000 1.392 47 I CB -0.435 37.538 38.000 -0.045 0.000 1.065 47 I HN 0.835 nan 8.210 nan 0.000 0.424 48 K N -2.014 118.394 120.400 0.013 0.000 1.615 48 K HA 0.056 4.347 4.320 -0.048 0.000 0.100 48 K C 0.201 176.820 176.600 0.031 0.000 2.253 48 K CA 0.140 56.440 56.287 0.021 0.000 1.055 48 K CB -1.081 31.419 32.500 0.001 0.000 2.464 48 K HN 0.201 nan 8.250 nan 0.000 0.379 49 L N 2.393 123.631 121.223 0.025 0.000 2.461 49 L HA 0.549 4.860 4.340 -0.048 0.000 0.272 49 L C 0.626 177.544 176.870 0.080 0.000 1.197 49 L CA 0.281 55.145 54.840 0.040 0.000 0.836 49 L CB 0.154 42.231 42.059 0.030 0.000 1.105 49 L HN 0.182 nan 8.230 nan 0.000 0.477 50 G N 1.026 109.871 108.800 0.076 0.000 2.467 50 G HA2 0.381 4.313 3.960 -0.048 0.000 0.257 50 G HA3 0.381 4.313 3.960 -0.048 0.000 0.257 50 G C -1.475 173.545 174.900 0.201 0.000 1.227 50 G CA -0.201 44.961 45.100 0.104 0.000 0.835 50 G HN 0.879 nan 8.290 nan 0.000 0.556 51 Y N 0.726 121.070 120.300 0.073 0.000 2.482 51 Y HA 0.587 5.101 4.550 -0.060 0.000 0.334 51 Y C -0.627 175.356 175.900 0.138 0.000 1.091 51 Y CA -0.725 57.436 58.100 0.103 0.000 1.027 51 Y CB 1.694 40.211 38.460 0.095 0.000 1.306 51 Y HN 0.920 nan 8.280 nan 0.000 0.446 52 A N 5.136 127.734 122.820 -0.370 0.000 2.549 52 A HA 0.740 5.031 4.320 -0.048 0.000 0.297 52 A C -1.677 175.739 177.584 -0.281 0.000 1.061 52 A CA -0.781 51.108 52.037 -0.248 0.000 0.690 52 A CB 1.709 20.666 19.000 -0.072 0.000 1.287 52 A HN 0.770 nan 8.150 nan 0.000 0.402 53 E N 0.074 120.191 120.200 -0.138 0.000 2.369 53 E HA 0.830 5.152 4.350 -0.048 0.000 0.270 53 E C -0.858 175.802 176.600 0.101 0.000 0.909 53 E CA -0.887 55.496 56.400 -0.028 0.000 0.775 53 E CB 2.357 32.025 29.700 -0.053 0.000 1.270 53 E HN 0.562 nan 8.360 nan 0.000 0.445 54 T N 0.251 114.887 114.554 0.136 0.000 2.840 54 T HA 0.270 4.591 4.350 -0.048 0.000 0.317 54 T C -1.468 173.333 174.700 0.168 0.000 1.401 54 T CA -0.812 61.392 62.100 0.172 0.000 1.028 54 T CB 1.334 70.317 68.868 0.191 0.000 1.317 54 T HN 0.497 nan 8.240 nan 0.000 0.495 55 N N 1.999 120.840 118.700 0.235 0.000 2.493 55 N HA 0.523 5.234 4.740 -0.048 0.000 0.275 55 N C -0.750 174.834 175.510 0.123 0.000 1.186 55 N CA -0.454 52.737 53.050 0.235 0.000 0.978 55 N CB 0.855 39.613 38.487 0.452 0.000 1.184 55 N HN 0.490 nan 8.380 nan 0.000 0.487 56 I N 0.499 120.981 120.570 -0.147 0.000 2.499 56 I HA 0.445 4.586 4.170 -0.048 0.000 0.288 56 I C 0.658 176.586 176.117 -0.314 0.000 1.048 56 I CA -0.487 60.741 61.300 -0.119 0.000 1.062 56 I CB 1.070 38.992 38.000 -0.130 0.000 1.238 56 I HN 0.487 nan 8.210 nan 0.000 0.426 57 G N 4.073 112.895 108.800 0.038 0.000 3.105 57 G HA2 0.746 4.677 3.960 -0.048 0.000 0.277 57 G HA3 0.746 4.677 3.960 -0.048 0.000 0.277 57 G C -1.681 173.359 174.900 0.234 0.000 1.375 57 G CA -0.717 44.455 45.100 0.119 0.000 0.962 57 G HN 0.401 nan 8.290 nan 0.000 0.541 58 V N -1.317 118.716 119.914 0.199 0.000 2.891 58 V HA 0.462 4.553 4.120 -0.048 0.000 0.304 58 V C -1.029 175.094 176.094 0.048 0.000 1.171 58 V CA -0.805 61.515 62.300 0.033 0.000 0.943 58 V CB 1.418 33.168 31.823 -0.121 0.000 1.037 58 V HN 0.974 nan 8.190 nan 0.000 0.427 59 c N 4.946 123.539 118.600 -0.011 0.000 2.325 59 c HA 0.388 4.930 4.570 -0.048 0.000 0.347 59 c C 1.582 175.653 174.090 -0.031 0.000 1.263 59 c CA -0.343 55.990 56.329 0.007 0.000 1.806 59 c CB 0.424 42.937 42.510 0.004 0.000 2.405 59 c HN 1.072 nan 8.230 nan 0.000 0.537 60 E N 1.381 121.579 120.200 -0.004 0.000 2.077 60 E HA -0.114 4.207 4.350 -0.048 0.000 0.193 60 E C 2.091 178.680 176.600 -0.020 0.000 0.989 60 E CA 1.566 57.957 56.400 -0.014 0.000 0.800 60 E CB 0.096 29.801 29.700 0.008 0.000 0.746 60 E HN 0.773 nan 8.360 nan 0.000 0.452 61 S N -0.428 115.265 115.700 -0.011 0.000 2.357 61 S HA -0.061 4.381 4.470 -0.048 0.000 0.221 61 S C 1.083 175.672 174.600 -0.018 0.000 1.031 61 S CA 0.598 58.791 58.200 -0.011 0.000 0.982 61 S CB -0.296 62.902 63.200 -0.005 0.000 0.853 61 S HN 0.269 nan 8.310 nan 0.000 0.458 62 c N 3.922 122.508 118.600 -0.023 0.000 2.727 62 c HA 0.284 4.826 4.570 -0.048 0.000 0.401 62 c C 0.982 175.047 174.090 -0.041 0.000 1.294 62 c CA -1.125 55.189 56.329 -0.026 0.000 2.134 62 c CB -0.436 42.060 42.510 -0.023 0.000 2.724 62 c HN 0.565 nan 8.230 nan 0.000 0.677 63 K N 1.584 121.968 120.400 -0.028 0.000 2.102 63 K HA 0.474 4.765 4.320 -0.048 0.000 0.244 63 K C -0.628 175.951 176.600 -0.035 0.000 1.021 63 K CA -0.427 55.844 56.287 -0.027 0.000 0.913 63 K CB 0.731 33.227 32.500 -0.007 0.000 1.062 63 K HN 0.564 nan 8.250 nan 0.000 0.485 64 K N 0.582 120.968 120.400 -0.024 0.000 2.123 64 K HA 0.189 4.480 4.320 -0.048 0.000 0.248 64 K C -1.767 174.876 176.600 0.072 0.000 0.969 64 K CA -2.162 54.131 56.287 0.009 0.000 0.882 64 K CB 1.337 33.852 32.500 0.025 0.000 1.080 64 K HN 0.500 nan 8.250 nan 0.000 0.441 65 P HA -0.109 nan 4.420 nan 0.000 0.231 65 P C 0.146 177.567 177.300 0.202 0.000 1.168 65 P CA 0.877 64.123 63.100 0.243 0.000 0.779 65 P CB 0.368 32.193 31.700 0.209 0.000 0.844 66 E N 1.078 121.338 120.200 0.100 0.000 2.273 66 E HA -0.171 4.151 4.350 -0.048 0.000 0.198 66 E C 1.866 178.495 176.600 0.049 0.000 1.002 66 E CA 1.403 57.848 56.400 0.074 0.000 0.828 66 E CB -1.023 28.703 29.700 0.042 0.000 0.747 66 E HN 0.307 nan 8.360 nan 0.000 0.491 67 A N 0.643 123.449 122.820 -0.025 0.000 2.119 67 A HA -0.044 4.248 4.320 -0.048 0.000 0.217 67 A C 0.544 178.048 177.584 -0.133 0.000 1.153 67 A CA 0.180 52.149 52.037 -0.114 0.000 0.692 67 A CB -0.442 18.428 19.000 -0.217 0.000 0.799 67 A HN 0.153 nan 8.150 nan 0.000 0.458 68 Y N -0.183 120.154 120.300 0.062 0.000 2.319 68 Y HA 0.393 4.917 4.550 -0.043 0.000 0.328 68 Y C 0.453 176.411 175.900 0.097 0.000 1.133 68 Y CA -0.014 58.131 58.100 0.075 0.000 1.265 68 Y CB 1.067 39.562 38.460 0.059 0.000 1.218 68 Y HN 0.167 nan 8.280 nan 0.000 0.508 69 V N -1.003 119.091 119.914 0.300 0.000 3.078 69 V HA 0.555 4.646 4.120 -0.048 0.000 0.311 69 V C 0.085 176.375 176.094 0.326 0.000 1.138 69 V CA -0.533 61.922 62.300 0.258 0.000 1.007 69 V CB 1.735 33.688 31.823 0.218 0.000 1.045 69 V HN 0.783 nan 8.190 nan 0.000 0.432 70 T N -1.950 112.770 114.554 0.277 0.000 3.054 70 T HA 0.428 4.749 4.350 -0.048 0.000 0.255 70 T C 0.117 175.052 174.700 0.391 0.000 1.035 70 T CA -0.050 62.239 62.100 0.315 0.000 0.941 70 T CB -0.096 68.894 68.868 0.203 0.000 1.026 70 T HN 0.767 nan 8.240 nan 0.000 0.533 71 E N 2.016 122.385 120.200 0.281 0.000 2.343 71 E HA 0.336 4.657 4.350 -0.048 0.000 0.270 71 E C -2.850 173.504 176.600 -0.410 0.000 0.895 71 E CA -2.767 53.660 56.400 0.044 0.000 0.767 71 E CB 1.816 31.521 29.700 0.008 0.000 1.248 71 E HN -0.085 nan 8.360 nan 0.000 0.440 72 P HA 0.009 nan 4.420 nan 0.000 0.262 72 P C -0.304 176.656 177.300 -0.566 0.000 1.647 72 P CA 0.447 62.764 63.100 -1.304 0.000 0.865 72 P CB -0.022 30.943 31.700 -1.225 0.000 1.834 73 S N -0.665 114.844 115.700 -0.319 0.000 2.536 73 S HA 0.374 4.815 4.470 -0.048 0.000 0.271 73 S C 0.209 174.770 174.600 -0.066 0.000 1.134 73 S CA -0.488 57.618 58.200 -0.157 0.000 0.897 73 S CB 0.880 64.010 63.200 -0.117 0.000 1.094 73 S HN 0.166 nan 8.310 nan 0.000 0.473 74 c N 4.258 122.833 118.600 -0.042 0.000 3.336 74 c HA 0.370 4.912 4.570 -0.048 0.000 0.291 74 c C 2.188 176.272 174.090 -0.009 0.000 1.363 74 c CA -0.532 55.791 56.329 -0.010 0.000 1.737 74 c CB -0.643 41.867 42.510 0.000 0.000 2.274 74 c HN 0.842 nan 8.230 nan 0.000 0.663 75 K N 2.274 122.663 120.400 -0.019 0.000 2.089 75 K HA -0.189 4.102 4.320 -0.048 0.000 0.210 75 K C 2.100 178.697 176.600 -0.004 0.000 1.048 75 K CA 2.064 58.343 56.287 -0.013 0.000 0.926 75 K CB -0.795 31.694 32.500 -0.018 0.000 0.714 75 K HN 0.667 nan 8.250 nan 0.000 0.448 76 S N 0.395 116.095 115.700 0.001 0.000 2.484 76 S HA -0.173 4.268 4.470 -0.048 0.000 0.250 76 S C 1.717 176.323 174.600 0.010 0.000 0.995 76 S CA 1.209 59.414 58.200 0.009 0.000 0.967 76 S CB -1.006 62.205 63.200 0.019 0.000 0.752 76 S HN 0.432 nan 8.310 nan 0.000 0.517 77 c N -2.678 115.925 118.600 0.006 0.000 3.482 77 c HA 0.837 5.379 4.570 -0.048 0.000 0.299 77 c C 1.313 175.403 174.090 0.000 0.000 2.619 77 c CA -0.589 55.743 56.329 0.004 0.000 1.533 77 c CB -0.200 42.314 42.510 0.006 0.000 3.079 77 c HN 0.919 nan 8.230 nan 0.000 0.433 78 G N 1.995 110.794 108.800 -0.001 0.000 3.700 78 G HA2 -0.122 3.810 3.960 -0.048 0.000 0.211 78 G HA3 -0.122 3.810 3.960 -0.048 0.000 0.211 78 G C 0.129 175.027 174.900 -0.005 0.000 1.777 78 G CA -0.012 45.086 45.100 -0.003 0.000 1.460 78 G HN 1.151 nan 8.290 nan 0.000 0.615 79 S N 1.895 117.592 115.700 -0.004 0.000 2.561 79 S HA 0.324 4.765 4.470 -0.048 0.000 0.294 79 S C 0.304 174.897 174.600 -0.011 0.000 1.294 79 S CA 0.697 58.893 58.200 -0.006 0.000 1.055 79 S CB 1.091 64.290 63.200 -0.002 0.000 0.819 79 S HN 0.465 nan 8.310 nan 0.000 0.503 80 D N 0.378 120.771 120.400 -0.013 0.000 2.369 80 D HA 0.063 4.674 4.640 -0.048 0.000 0.211 80 D C -0.416 175.870 176.300 -0.024 0.000 1.077 80 D CA 0.061 54.049 54.000 -0.020 0.000 0.842 80 D CB 0.185 40.975 40.800 -0.017 0.000 0.947 80 D HN 0.474 nan 8.370 nan 0.000 0.509 81 D N 1.646 122.037 120.400 -0.015 0.000 2.399 81 D HA -0.006 4.606 4.640 -0.048 0.000 0.241 81 D C 0.509 176.798 176.300 -0.018 0.000 1.133 81 D CA 0.284 54.278 54.000 -0.009 0.000 0.890 81 D CB 1.127 41.930 40.800 0.006 0.000 1.201 81 D HN 0.077 nan 8.370 nan 0.000 0.432 82 E N 2.236 122.427 120.200 -0.015 0.000 2.316 82 E HA 0.158 4.480 4.350 -0.048 0.000 0.275 82 E C -2.115 174.520 176.600 0.058 0.000 1.029 82 E CA -1.574 54.803 56.400 -0.039 0.000 0.871 82 E CB 0.780 30.457 29.700 -0.038 0.000 1.022 82 E HN 0.168 nan 8.360 nan 0.000 0.418 83 P HA 0.049 nan 4.420 nan 0.000 0.275 83 P C -1.083 176.494 177.300 0.461 0.000 1.266 83 P CA -0.338 62.907 63.100 0.242 0.000 0.793 83 P CB 0.645 32.512 31.700 0.279 0.000 1.074 84 K N 0.784 121.390 120.400 0.343 0.000 2.276 84 K HA 0.205 4.496 4.320 -0.048 0.000 0.283 84 K C -0.480 176.270 176.600 0.250 0.000 1.044 84 K CA -0.552 55.911 56.287 0.293 0.000 0.944 84 K CB 0.046 32.625 32.500 0.131 0.000 1.012 84 K HN 0.251 nan 8.250 nan 0.000 0.472 85 F N 5.082 124.960 119.950 -0.120 0.000 2.418 85 F HA 0.151 4.649 4.527 -0.047 0.000 0.341 85 F C 0.252 175.855 175.800 -0.329 0.000 1.120 85 F CA -0.096 57.498 58.000 -0.677 0.000 1.232 85 F CB 0.566 39.022 39.000 -0.907 0.000 1.175 85 F HN 0.545 nan 8.300 nan 0.000 0.569 86 L N 3.188 123.727 121.223 -1.140 0.000 2.638 86 L HA 0.359 4.671 4.340 -0.048 0.000 0.195 86 L C -0.232 176.067 176.870 -0.952 0.000 1.065 86 L CA -0.181 54.227 54.840 -0.720 0.000 0.859 86 L CB 0.195 42.026 42.059 -0.381 0.000 1.269 86 L HN 0.691 nan 8.230 nan 0.000 0.484 87 R N -0.383 119.326 120.500 -1.320 0.000 2.829 87 R HA 0.390 4.702 4.340 -0.048 0.000 0.283 87 R C -1.262 174.689 176.300 -0.583 0.000 1.013 87 R CA -0.876 54.712 56.100 -0.854 0.000 0.848 87 R CB 1.489 31.555 30.300 -0.389 0.000 1.291 87 R HN -0.122 nan 8.270 nan 0.000 0.496 88 R N 1.895 122.308 120.500 -0.146 0.000 2.514 88 R HA 0.655 4.966 4.340 -0.048 0.000 0.301 88 R C -0.410 175.844 176.300 -0.076 0.000 0.962 88 R CA -0.717 55.390 56.100 0.012 0.000 0.882 88 R CB 1.150 31.536 30.300 0.143 0.000 1.143 88 R HN 0.679 nan 8.270 nan 0.000 0.452 89 I N -1.150 119.373 120.570 -0.079 0.000 3.206 89 I HA 0.634 4.775 4.170 -0.048 0.000 0.313 89 I C -0.944 175.043 176.117 -0.216 0.000 1.103 89 I CA -0.984 60.208 61.300 -0.180 0.000 0.985 89 I CB 2.552 40.397 38.000 -0.259 0.000 1.240 89 I HN 0.429 nan 8.210 nan 0.000 0.464 90 S N 0.912 116.386 115.700 -0.376 0.000 2.570 90 S HA 0.770 5.212 4.470 -0.048 0.000 0.286 90 S C -1.226 172.990 174.600 -0.641 0.000 1.099 90 S CA -0.376 57.602 58.200 -0.369 0.000 0.913 90 S CB 1.709 64.839 63.200 -0.116 0.000 1.085 90 S HN 0.456 nan 8.310 nan 0.000 0.480 91 F N 1.296 121.133 119.950 -0.187 0.000 2.551 91 F HA 0.701 5.200 4.527 -0.048 0.000 0.316 91 F C -0.568 175.210 175.800 -0.037 0.000 1.089 91 F CA -0.697 57.244 58.000 -0.098 0.000 0.915 91 F CB 1.291 40.223 39.000 -0.112 0.000 1.186 91 F HN 0.271 nan 8.300 nan 0.000 0.456 92 I N 2.371 123.056 120.570 0.192 0.000 2.730 92 I HA 0.559 4.700 4.170 -0.048 0.000 0.298 92 I C -1.137 175.046 176.117 0.109 0.000 1.089 92 I CA -0.478 60.929 61.300 0.179 0.000 1.041 92 I CB 2.176 40.273 38.000 0.162 0.000 1.235 92 I HN 0.648 nan 8.210 nan 0.000 0.423 93 D N 3.195 123.639 120.400 0.072 0.000 2.725 93 D HA 0.671 5.282 4.640 -0.048 0.000 0.292 93 D C -1.537 174.770 176.300 0.012 0.000 1.288 93 D CA -0.794 53.218 54.000 0.021 0.000 0.784 93 D CB 1.231 42.024 40.800 -0.012 0.000 1.308 93 D HN 0.606 nan 8.370 nan 0.000 0.429 94 A N 0.051 122.872 122.820 0.001 0.000 2.288 94 A HA 0.709 5.000 4.320 -0.048 0.000 0.320 94 A C -2.599 174.996 177.584 0.017 0.000 1.217 94 A CA -1.609 50.438 52.037 0.017 0.000 0.840 94 A CB 0.641 19.663 19.000 0.036 0.000 1.179 94 A HN 0.421 nan 8.150 nan 0.000 0.504 95 P HA 0.115 nan 4.420 nan 0.000 0.260 95 P C 1.133 178.469 177.300 0.060 0.000 1.185 95 P CA 1.585 64.688 63.100 0.004 0.000 0.763 95 P CB 0.500 32.219 31.700 0.031 0.000 0.776 96 G N 1.614 110.424 108.800 0.016 0.000 2.485 96 G HA2 -0.286 3.645 3.960 -0.048 0.000 0.315 96 G HA3 -0.286 3.645 3.960 -0.048 0.000 0.315 96 G C 0.546 175.505 174.900 0.099 0.000 0.914 96 G CA 0.869 46.000 45.100 0.051 0.000 0.889 96 G HN 0.709 nan 8.290 nan 0.000 0.512 97 H N -2.074 117.008 119.070 0.021 0.000 4.938 97 H HA 0.405 4.930 4.556 -0.051 0.000 0.304 97 H C 1.079 176.431 175.328 0.039 0.000 1.251 97 H CA 0.953 57.023 56.048 0.038 0.000 0.308 97 H CB 0.465 30.247 29.762 0.032 0.000 1.447 97 H HN 0.245 nan 8.280 nan 0.000 0.529 98 E N -0.826 119.601 120.200 0.379 0.000 1.416 98 E HA -0.103 4.218 4.350 -0.048 0.000 0.227 98 E C 1.072 177.735 176.600 0.104 0.000 1.060 98 E CA 1.247 57.745 56.400 0.164 0.000 1.299 98 E CB -1.097 28.677 29.700 0.124 0.000 4.485 98 E HN 0.178 nan 8.360 nan 0.000 0.757 99 V N -0.199 119.819 119.914 0.173 0.000 2.339 99 V HA 0.279 4.371 4.120 -0.048 0.000 0.234 99 V C 1.831 177.945 176.094 0.034 0.000 1.053 99 V CA 0.946 63.303 62.300 0.094 0.000 1.042 99 V CB -0.397 31.512 31.823 0.144 0.000 0.678 99 V HN 0.435 nan 8.190 nan 0.000 0.475 100 L N -1.523 119.709 121.223 0.015 0.000 5.081 100 L HA -0.305 4.007 4.340 -0.048 0.000 0.423 100 L C 1.413 178.276 176.870 -0.012 0.000 1.019 100 L CA 1.359 56.159 54.840 -0.067 0.000 1.223 100 L CB -1.854 40.121 42.059 -0.139 0.000 1.940 100 L HN 0.881 nan 8.230 nan 0.000 0.675 101 M N -1.761 117.854 119.600 0.026 0.000 2.820 101 M HA -0.336 4.115 4.480 -0.048 0.000 0.153 101 M C 1.089 177.384 176.300 -0.008 0.000 0.690 101 M CA 2.803 58.124 55.300 0.034 0.000 0.582 101 M CB -1.300 31.344 32.600 0.073 0.000 2.135 101 M HN 0.524 nan 8.290 nan 0.000 0.263 102 A N -2.346 120.455 122.820 -0.032 0.000 2.431 102 A HA 0.435 4.727 4.320 -0.048 0.000 0.239 102 A C 1.522 179.079 177.584 -0.044 0.000 1.230 102 A CA 0.808 52.813 52.037 -0.053 0.000 0.928 102 A CB -0.174 18.779 19.000 -0.079 0.000 1.006 102 A HN 0.592 nan 8.150 nan 0.000 0.520 103 T N -0.274 114.259 114.554 -0.035 0.000 2.852 103 T HA -0.021 4.301 4.350 -0.048 0.000 0.256 103 T C 1.916 176.602 174.700 -0.024 0.000 1.038 103 T CA 0.959 63.039 62.100 -0.034 0.000 1.141 103 T CB -0.216 68.631 68.868 -0.035 0.000 0.869 103 T HN 0.225 nan 8.240 nan 0.000 0.439 104 M N 1.093 120.685 119.600 -0.014 0.000 2.358 104 M HA 0.082 4.533 4.480 -0.048 0.000 0.264 104 M C 1.903 178.195 176.300 -0.013 0.000 1.064 104 M CA 1.140 56.434 55.300 -0.011 0.000 1.093 104 M CB -0.783 31.821 32.600 0.006 0.000 1.401 104 M HN 0.287 nan 8.290 nan 0.000 0.440 105 L N -1.862 119.352 121.223 -0.014 0.000 2.162 105 L HA -0.097 4.215 4.340 -0.048 0.000 0.205 105 L C 2.390 179.249 176.870 -0.019 0.000 1.086 105 L CA 0.518 55.350 54.840 -0.015 0.000 0.778 105 L CB -0.732 41.316 42.059 -0.020 0.000 0.928 105 L HN 0.154 nan 8.230 nan 0.000 0.446 106 S N 0.463 116.146 115.700 -0.029 0.000 2.344 106 S HA -0.073 4.368 4.470 -0.048 0.000 0.217 106 S C 1.395 175.977 174.600 -0.030 0.000 1.033 106 S CA 1.021 59.200 58.200 -0.035 0.000 1.017 106 S CB -0.692 62.479 63.200 -0.049 0.000 0.941 106 S HN 0.501 nan 8.310 nan 0.000 0.430 107 G N 0.193 108.977 108.800 -0.027 0.000 2.661 107 G HA2 0.447 4.378 3.960 -0.048 0.000 0.292 107 G HA3 0.447 4.378 3.960 -0.048 0.000 0.292 107 G C 0.316 175.202 174.900 -0.025 0.000 0.781 107 G CA 0.465 45.552 45.100 -0.022 0.000 1.860 107 G HN 0.542 nan 8.290 nan 0.000 0.512 108 A N 1.575 124.380 122.820 -0.025 0.000 1.459 108 A HA 0.530 4.821 4.320 -0.048 0.000 0.204 108 A C 1.844 179.415 177.584 -0.022 0.000 1.955 108 A CA 1.181 53.199 52.037 -0.032 0.000 1.576 108 A CB -0.711 18.271 19.000 -0.029 0.000 1.510 108 A HN 1.256 nan 8.150 nan 0.000 0.301 109 A N 0.030 122.848 122.820 -0.003 0.000 2.169 109 A HA 0.406 4.698 4.320 -0.048 0.000 0.212 109 A C 1.822 179.400 177.584 -0.010 0.000 1.153 109 A CA 1.215 53.263 52.037 0.018 0.000 0.756 109 A CB -0.443 18.588 19.000 0.052 0.000 0.813 109 A HN 0.439 nan 8.150 nan 0.000 0.471 110 L N -1.363 119.847 121.223 -0.022 0.000 2.200 110 L HA 0.173 4.484 4.340 -0.048 0.000 0.200 110 L C 0.939 177.796 176.870 -0.022 0.000 1.072 110 L CA 0.091 54.916 54.840 -0.025 0.000 0.787 110 L CB -0.557 41.487 42.059 -0.026 0.000 0.957 110 L HN 0.305 nan 8.230 nan 0.000 0.459 111 M N 1.015 120.601 119.600 -0.024 0.000 2.260 111 M HA -0.108 4.344 4.480 -0.048 0.000 0.348 111 M C 0.236 176.513 176.300 -0.039 0.000 1.342 111 M CA 0.638 55.920 55.300 -0.031 0.000 1.040 111 M CB 0.527 33.109 32.600 -0.030 0.000 1.810 111 M HN 0.062 nan 8.290 nan 0.000 0.453 112 D N 0.863 121.235 120.400 -0.047 0.000 2.366 112 D HA 0.251 4.862 4.640 -0.048 0.000 0.205 112 D C 0.621 176.898 176.300 -0.039 0.000 1.022 112 D CA 0.352 54.325 54.000 -0.046 0.000 0.868 112 D CB 0.648 41.414 40.800 -0.058 0.000 0.953 112 D HN 0.764 nan 8.370 nan 0.000 0.514 113 G N -0.685 108.092 108.800 -0.037 0.000 2.550 113 G HA2 0.683 4.614 3.960 -0.048 0.000 0.293 113 G HA3 0.683 4.614 3.960 -0.048 0.000 0.293 113 G C -1.817 173.080 174.900 -0.005 0.000 1.402 113 G CA -0.214 44.879 45.100 -0.013 0.000 0.784 113 G HN 0.162 nan 8.290 nan 0.000 0.482 114 A N -0.877 121.958 122.820 0.024 0.000 2.593 114 A HA 0.869 5.161 4.320 -0.048 0.000 0.290 114 A C -1.501 176.117 177.584 0.056 0.000 1.126 114 A CA -0.624 51.435 52.037 0.037 0.000 0.695 114 A CB 1.327 20.346 19.000 0.031 0.000 1.290 114 A HN 0.930 nan 8.150 nan 0.000 0.414 115 I N 1.207 121.815 120.570 0.064 0.000 2.468 115 I HA 0.311 4.452 4.170 -0.048 0.000 0.285 115 I C -1.004 175.150 176.117 0.060 0.000 1.039 115 I CA -0.295 61.043 61.300 0.063 0.000 1.074 115 I CB 1.718 39.765 38.000 0.079 0.000 1.228 115 I HN 0.512 nan 8.210 nan 0.000 0.436 116 L N 7.552 128.816 121.223 0.069 0.000 2.255 116 L HA 0.463 4.774 4.340 -0.048 0.000 0.289 116 L C -0.543 176.382 176.870 0.091 0.000 1.046 116 L CA -0.608 54.295 54.840 0.105 0.000 0.816 116 L CB 1.334 43.483 42.059 0.150 0.000 1.197 116 L HN 0.319 nan 8.230 nan 0.000 0.427 117 V N 5.894 125.875 119.914 0.112 0.000 2.461 117 V HA 0.262 4.354 4.120 -0.048 0.000 0.275 117 V C 0.209 176.413 176.094 0.184 0.000 1.047 117 V CA -0.422 61.941 62.300 0.105 0.000 0.955 117 V CB 1.549 33.430 31.823 0.098 0.000 0.988 117 V HN 0.442 nan 8.190 nan 0.000 0.471 118 V N 4.006 123.966 119.914 0.077 0.000 2.540 118 V HA 0.657 4.748 4.120 -0.048 0.000 0.302 118 V C 0.405 176.374 176.094 -0.208 0.000 1.035 118 V CA -0.721 61.594 62.300 0.025 0.000 0.873 118 V CB 1.903 33.709 31.823 -0.028 0.000 0.992 118 V HN 1.000 nan 8.190 nan 0.000 0.428 119 A N 3.630 126.062 122.820 -0.646 0.000 2.396 119 A HA 0.618 4.909 4.320 -0.048 0.000 0.279 119 A C 1.320 178.719 177.584 -0.308 0.000 1.165 119 A CA 0.341 52.041 52.037 -0.561 0.000 0.824 119 A CB 0.665 19.129 19.000 -0.894 0.000 1.100 119 A HN 1.375 nan 8.150 nan 0.000 0.516 120 A N 2.638 125.351 122.820 -0.179 0.000 2.172 120 A HA -0.094 4.197 4.320 -0.048 0.000 0.216 120 A C 1.194 178.726 177.584 -0.087 0.000 1.154 120 A CA 1.280 53.249 52.037 -0.112 0.000 0.701 120 A CB -0.713 18.243 19.000 -0.073 0.000 0.789 120 A HN 1.020 nan 8.150 nan 0.000 0.465 121 N N -0.841 117.797 118.700 -0.104 0.000 2.328 121 N HA 0.152 4.864 4.740 -0.048 0.000 0.247 121 N C -0.727 174.741 175.510 -0.070 0.000 1.165 121 N CA -0.318 52.691 53.050 -0.067 0.000 0.873 121 N CB 0.472 38.928 38.487 -0.051 0.000 1.125 121 N HN 0.251 nan 8.380 nan 0.000 0.513 122 E N 1.644 121.789 120.200 -0.091 0.000 2.293 122 E HA 0.291 4.612 4.350 -0.048 0.000 0.270 122 E C -2.786 173.812 176.600 -0.003 0.000 0.879 122 E CA -2.002 54.364 56.400 -0.057 0.000 0.756 122 E CB 2.642 32.273 29.700 -0.115 0.000 1.208 122 E HN 0.162 nan 8.360 nan 0.000 0.428 123 P HA 0.040 nan 4.420 nan 0.000 0.267 123 P C -0.659 176.691 177.300 0.083 0.000 1.209 123 P CA -0.016 63.115 63.100 0.052 0.000 0.763 123 P CB 0.104 31.823 31.700 0.032 0.000 0.816 124 F N 7.169 127.083 119.950 -0.061 0.000 2.396 124 F HA 0.533 5.028 4.527 -0.053 0.000 0.343 124 F C -2.202 173.537 175.800 -0.100 0.000 1.104 124 F CA -2.275 55.663 58.000 -0.104 0.000 1.161 124 F CB 1.152 40.060 39.000 -0.153 0.000 1.146 124 F HN 0.213 nan 8.300 nan 0.000 0.522 125 P HA 0.219 nan 4.420 nan 0.000 0.305 125 P C -1.487 175.632 177.300 -0.301 0.000 1.378 125 P CA -0.627 61.932 63.100 -0.901 0.000 0.926 125 P CB 1.897 32.659 31.700 -1.563 0.000 1.051 126 Q N 3.344 123.115 119.800 -0.047 0.000 2.540 126 Q HA 0.009 4.320 4.340 -0.048 0.000 0.256 126 Q C -1.269 174.689 176.000 -0.070 0.000 1.084 126 Q CA -0.757 55.077 55.803 0.052 0.000 0.956 126 Q CB -0.004 28.949 28.738 0.357 0.000 1.303 126 Q HN 0.417 nan 8.270 nan 0.000 0.509 127 P HA -0.245 nan 4.420 nan 0.000 0.214 127 P C 1.155 178.330 177.300 -0.209 0.000 1.162 127 P CA 1.561 64.582 63.100 -0.130 0.000 0.879 127 P CB 0.127 31.759 31.700 -0.115 0.000 0.786 128 Q N -0.479 119.091 119.800 -0.385 0.000 2.234 128 Q HA -0.122 4.190 4.340 -0.048 0.000 0.206 128 Q C 1.903 177.507 176.000 -0.661 0.000 0.980 128 Q CA 1.938 57.389 55.803 -0.586 0.000 0.869 128 Q CB -0.486 27.701 28.738 -0.918 0.000 0.912 128 Q HN 0.166 nan 8.270 nan 0.000 0.436 129 T N 0.409 114.765 114.554 -0.330 0.000 2.857 129 T HA -0.063 4.258 4.350 -0.048 0.000 0.266 129 T C 1.541 176.255 174.700 0.023 0.000 1.048 129 T CA 1.103 63.141 62.100 -0.103 0.000 1.139 129 T CB -0.044 68.845 68.868 0.036 0.000 0.874 129 T HN 0.397 nan 8.240 nan 0.000 0.455 130 R N 1.750 122.237 120.500 -0.021 0.000 2.080 130 R HA -0.151 4.160 4.340 -0.048 0.000 0.236 130 R C 2.520 178.960 176.300 0.234 0.000 1.137 130 R CA 1.830 58.007 56.100 0.128 0.000 0.943 130 R CB -0.568 29.773 30.300 0.068 0.000 0.846 130 R HN 0.671 nan 8.270 nan 0.000 0.431 131 E N 0.620 120.882 120.200 0.104 0.000 2.204 131 E HA -0.187 4.134 4.350 -0.048 0.000 0.194 131 E C 1.688 178.437 176.600 0.249 0.000 0.989 131 E CA 1.165 57.650 56.400 0.143 0.000 0.824 131 E CB -0.444 29.289 29.700 0.055 0.000 0.756 131 E HN 0.613 nan 8.360 nan 0.000 0.477 132 H N -0.543 118.621 119.070 0.156 0.000 2.357 132 H HA -0.085 4.452 4.556 -0.030 0.000 0.301 132 H C 1.820 177.275 175.328 0.213 0.000 1.082 132 H CA 1.132 57.270 56.048 0.150 0.000 1.342 132 H CB -0.078 29.765 29.762 0.136 0.000 1.389 132 H HN 0.169 nan 8.280 nan 0.000 0.511 133 F N 1.503 121.631 119.950 0.296 0.000 2.095 133 F HA -0.261 4.252 4.527 -0.023 0.000 0.298 133 F C 2.475 178.516 175.800 0.402 0.000 1.104 133 F CA 1.600 59.789 58.000 0.315 0.000 1.232 133 F CB -0.368 38.802 39.000 0.283 0.000 0.987 133 F HN -0.012 nan 8.300 nan 0.000 0.475 134 V N -1.006 119.162 119.914 0.422 0.000 2.358 134 V HA -0.111 3.980 4.120 -0.048 0.000 0.246 134 V C 2.467 178.646 176.094 0.142 0.000 1.047 134 V CA 1.412 63.890 62.300 0.297 0.000 1.035 134 V CB -2.021 29.967 31.823 0.274 0.000 0.658 134 V HN 0.356 nan 8.190 nan 0.000 0.452 135 A N 0.880 123.790 122.820 0.149 0.000 1.917 135 A HA -0.128 4.163 4.320 -0.048 0.000 0.219 135 A C 2.274 179.855 177.584 -0.004 0.000 1.182 135 A CA 2.410 54.496 52.037 0.082 0.000 0.633 135 A CB -0.761 18.311 19.000 0.120 0.000 0.819 135 A HN 0.596 nan 8.150 nan 0.000 0.448 136 L N -0.993 120.235 121.223 0.007 0.000 2.093 136 L HA -0.079 4.233 4.340 -0.048 0.000 0.208 136 L C 2.822 179.497 176.870 -0.325 0.000 1.085 136 L CA 0.946 55.743 54.840 -0.072 0.000 0.755 136 L CB -0.667 41.424 42.059 0.054 0.000 0.904 136 L HN 0.493 nan 8.230 nan 0.000 0.435 137 G N 0.183 108.728 108.800 -0.426 0.000 2.404 137 G HA2 -0.192 3.739 3.960 -0.048 0.000 0.215 137 G HA3 -0.192 3.739 3.960 -0.048 0.000 0.215 137 G C 1.582 176.086 174.900 -0.660 0.000 1.174 137 G CA 0.561 45.051 45.100 -1.017 0.000 0.780 137 G HN 0.219 nan 8.290 nan 0.000 0.537 138 I N 0.924 121.287 120.570 -0.345 0.000 2.076 138 I HA -0.177 3.964 4.170 -0.048 0.000 0.237 138 I C 2.582 178.472 176.117 -0.378 0.000 1.059 138 I CA 0.778 61.905 61.300 -0.290 0.000 1.317 138 I CB -0.271 37.703 38.000 -0.043 0.000 1.037 138 I HN 0.044 nan 8.210 nan 0.000 0.398 139 I N 0.973 121.395 120.570 -0.247 0.000 2.367 139 I HA -0.265 3.876 4.170 -0.048 0.000 0.256 139 I C 1.735 177.669 176.117 -0.306 0.000 1.132 139 I CA 1.777 62.954 61.300 -0.206 0.000 1.397 139 I CB -2.012 35.905 38.000 -0.139 0.000 1.074 139 I HN 0.616 nan 8.210 nan 0.000 0.435 140 G N 0.669 109.189 108.800 -0.467 0.000 2.165 140 G HA2 -0.206 3.725 3.960 -0.048 0.000 0.226 140 G HA3 -0.206 3.725 3.960 -0.048 0.000 0.226 140 G C 0.342 175.010 174.900 -0.386 0.000 1.035 140 G CA 0.260 45.047 45.100 -0.523 0.000 0.744 140 G HN 0.304 nan 8.290 nan 0.000 0.501 141 V N 0.882 120.581 119.914 -0.359 0.000 2.420 141 V HA 0.300 4.391 4.120 -0.048 0.000 0.274 141 V C 1.730 177.713 176.094 -0.186 0.000 1.003 141 V CA 1.524 63.702 62.300 -0.204 0.000 1.092 141 V CB 0.640 32.404 31.823 -0.100 0.000 1.002 141 V HN 0.630 nan 8.190 nan 0.000 0.473 142 K N 6.119 126.447 120.400 -0.119 0.000 1.993 142 K HA -0.011 4.280 4.320 -0.048 0.000 0.220 142 K C 0.679 177.301 176.600 0.036 0.000 1.028 142 K CA 1.074 57.322 56.287 -0.064 0.000 0.994 142 K CB -0.070 32.401 32.500 -0.047 0.000 0.788 142 K HN 0.774 nan 8.250 nan 0.000 0.445 143 N N 1.855 120.582 118.700 0.044 0.000 2.431 143 N HA 0.101 4.812 4.740 -0.048 0.000 0.265 143 N C -0.733 174.835 175.510 0.098 0.000 1.184 143 N CA 0.076 53.180 53.050 0.089 0.000 0.943 143 N CB 0.906 39.433 38.487 0.067 0.000 1.080 143 N HN 0.222 nan 8.380 nan 0.000 0.477 144 L N 3.250 124.551 121.223 0.130 0.000 2.370 144 L HA 0.673 4.984 4.340 -0.048 0.000 0.266 144 L C -1.195 175.694 176.870 0.032 0.000 1.002 144 L CA -0.632 54.270 54.840 0.103 0.000 0.818 144 L CB 1.771 43.930 42.059 0.167 0.000 1.325 144 L HN 0.412 nan 8.230 nan 0.000 0.418 145 I N 4.837 125.410 120.570 0.004 0.000 2.582 145 I HA 0.444 4.585 4.170 -0.048 0.000 0.292 145 I C -0.944 175.144 176.117 -0.047 0.000 1.066 145 I CA -0.562 60.692 61.300 -0.076 0.000 1.053 145 I CB 2.261 40.222 38.000 -0.064 0.000 1.241 145 I HN 0.504 nan 8.210 nan 0.000 0.421 146 I N 5.831 126.346 120.570 -0.093 0.000 2.378 146 I HA 0.364 4.506 4.170 -0.048 0.000 0.291 146 I C -0.578 175.487 176.117 -0.086 0.000 0.992 146 I CA -0.841 60.416 61.300 -0.072 0.000 1.154 146 I CB 1.937 39.867 38.000 -0.117 0.000 1.315 146 I HN 0.145 nan 8.210 nan 0.000 0.448 147 V N 6.338 126.223 119.914 -0.049 0.000 2.370 147 V HA 0.206 4.298 4.120 -0.048 0.000 0.283 147 V C 0.092 176.151 176.094 -0.057 0.000 1.023 147 V CA -0.528 61.745 62.300 -0.046 0.000 0.857 147 V CB 1.499 33.308 31.823 -0.023 0.000 0.985 147 V HN 0.710 nan 8.190 nan 0.000 0.443 148 Q N 4.205 123.965 119.800 -0.066 0.000 2.490 148 Q HA 0.251 4.563 4.340 -0.048 0.000 0.226 148 Q C -0.042 175.924 176.000 -0.056 0.000 1.132 148 Q CA -0.248 55.508 55.803 -0.078 0.000 0.928 148 Q CB 0.327 29.023 28.738 -0.070 0.000 1.299 148 Q HN 0.790 nan 8.270 nan 0.000 0.528 149 N N 1.951 120.612 118.700 -0.065 0.000 2.408 149 N HA 0.094 4.806 4.740 -0.048 0.000 0.260 149 N C -0.585 174.887 175.510 -0.063 0.000 1.242 149 N CA 0.135 53.152 53.050 -0.055 0.000 0.959 149 N CB 0.578 39.035 38.487 -0.049 0.000 1.201 149 N HN 0.546 nan 8.380 nan 0.000 0.511 150 K N -1.163 119.213 120.400 -0.041 0.000 3.130 150 K HA -0.180 4.111 4.320 -0.048 0.000 0.282 150 K C 0.637 177.227 176.600 -0.017 0.000 1.145 150 K CA 0.468 56.739 56.287 -0.027 0.000 0.831 150 K CB -1.788 30.680 32.500 -0.054 0.000 1.226 150 K HN 0.296 nan 8.250 nan 0.000 0.478 151 V N 1.769 121.675 119.914 -0.014 0.000 2.867 151 V HA -0.207 3.884 4.120 -0.048 0.000 0.260 151 V C 2.002 178.097 176.094 0.003 0.000 1.099 151 V CA 2.400 64.694 62.300 -0.010 0.000 1.122 151 V CB -0.189 31.630 31.823 -0.008 0.000 0.708 151 V HN 0.468 nan 8.190 nan 0.000 0.490 152 D N 0.297 120.711 120.400 0.023 0.000 2.363 152 D HA -0.087 4.524 4.640 -0.048 0.000 0.220 152 D C 1.519 177.831 176.300 0.019 0.000 0.994 152 D CA 1.442 55.459 54.000 0.029 0.000 0.890 152 D CB -0.147 40.694 40.800 0.069 0.000 0.906 152 D HN 0.561 nan 8.370 nan 0.000 0.530 153 V N -1.482 118.443 119.914 0.018 0.000 3.542 153 V HA 0.283 4.374 4.120 -0.048 0.000 0.296 153 V C 0.519 176.611 176.094 -0.003 0.000 1.364 153 V CA -0.048 62.258 62.300 0.010 0.000 1.118 153 V CB -0.399 31.435 31.823 0.018 0.000 0.972 153 V HN 0.128 nan 8.190 nan 0.000 0.430 154 V N -2.466 117.444 119.914 -0.007 0.000 3.130 154 V HA 0.858 4.949 4.120 -0.048 0.000 0.310 154 V C 0.086 176.173 176.094 -0.012 0.000 1.158 154 V CA -0.143 62.150 62.300 -0.011 0.000 1.029 154 V CB 1.348 33.161 31.823 -0.016 0.000 1.057 154 V HN 0.442 nan 8.190 nan 0.000 0.436 155 S N 0.500 116.193 115.700 -0.012 0.000 2.603 155 S HA 0.278 4.719 4.470 -0.048 0.000 0.268 155 S C 0.959 175.549 174.600 -0.017 0.000 1.317 155 S CA 0.234 58.425 58.200 -0.014 0.000 1.012 155 S CB 1.091 64.284 63.200 -0.013 0.000 0.926 155 S HN 1.138 nan 8.310 nan 0.000 0.539 156 K N 1.313 121.701 120.400 -0.020 0.000 2.074 156 K HA -0.267 4.024 4.320 -0.048 0.000 0.209 156 K C 2.069 178.651 176.600 -0.030 0.000 1.048 156 K CA 2.037 58.308 56.287 -0.027 0.000 0.926 156 K CB -0.395 32.086 32.500 -0.031 0.000 0.713 156 K HN 0.909 nan 8.250 nan 0.000 0.444 157 E N 0.239 120.425 120.200 -0.024 0.000 2.106 157 E HA -0.244 4.078 4.350 -0.048 0.000 0.192 157 E C 1.993 178.585 176.600 -0.014 0.000 0.984 157 E CA 1.251 57.638 56.400 -0.021 0.000 0.806 157 E CB -0.212 29.478 29.700 -0.016 0.000 0.750 157 E HN 0.480 nan 8.360 nan 0.000 0.458 158 E N 0.738 120.931 120.200 -0.012 0.000 2.072 158 E HA -0.164 4.158 4.350 -0.048 0.000 0.191 158 E C 2.122 178.718 176.600 -0.006 0.000 0.985 158 E CA 0.974 57.370 56.400 -0.007 0.000 0.801 158 E CB -0.145 29.550 29.700 -0.008 0.000 0.750 158 E HN 0.390 nan 8.360 nan 0.000 0.452 159 A N 1.438 124.252 122.820 -0.010 0.000 1.883 159 A HA -0.182 4.109 4.320 -0.048 0.000 0.217 159 A C 2.158 179.753 177.584 0.018 0.000 1.186 159 A CA 1.028 53.062 52.037 -0.005 0.000 0.624 159 A CB -0.604 18.389 19.000 -0.010 0.000 0.822 159 A HN 0.296 nan 8.150 nan 0.000 0.444 160 L N -0.148 121.071 121.223 -0.006 0.000 2.083 160 L HA -0.141 4.170 4.340 -0.048 0.000 0.209 160 L C 2.869 179.764 176.870 0.042 0.000 1.083 160 L CA 2.206 57.038 54.840 -0.014 0.000 0.752 160 L CB -1.391 40.628 42.059 -0.067 0.000 0.899 160 L HN 0.572 nan 8.230 nan 0.000 0.433 161 S N -0.624 115.089 115.700 0.021 0.000 2.353 161 S HA -0.307 4.134 4.470 -0.048 0.000 0.222 161 S C 1.991 176.611 174.600 0.033 0.000 1.035 161 S CA 1.999 60.215 58.200 0.028 0.000 1.025 161 S CB -0.131 63.079 63.200 0.017 0.000 0.902 161 S HN 0.502 nan 8.310 nan 0.000 0.440 162 Q N -1.133 118.673 119.800 0.010 0.000 2.084 162 Q HA -0.204 4.107 4.340 -0.048 0.000 0.202 162 Q C 1.957 177.879 176.000 -0.130 0.000 0.978 162 Q CA 1.902 57.674 55.803 -0.051 0.000 0.844 162 Q CB -0.424 28.267 28.738 -0.077 0.000 0.898 162 Q HN 0.813 nan 8.270 nan 0.000 0.426 163 Y N 1.110 121.306 120.300 -0.174 0.000 2.102 163 Y HA -0.354 4.170 4.550 -0.045 0.000 0.280 163 Y C 2.196 177.993 175.900 -0.172 0.000 1.178 163 Y CA 2.141 60.130 58.100 -0.186 0.000 1.146 163 Y CB 0.026 38.414 38.460 -0.119 0.000 0.968 163 Y HN 0.106 nan 8.280 nan 0.000 0.504 164 R N 0.242 120.830 120.500 0.146 0.000 2.066 164 R HA -0.165 4.146 4.340 -0.048 0.000 0.232 164 R C 2.171 178.468 176.300 -0.005 0.000 1.131 164 R CA 1.736 57.892 56.100 0.093 0.000 0.955 164 R CB -1.093 29.268 30.300 0.102 0.000 0.851 164 R HN 0.570 nan 8.270 nan 0.000 0.432 165 Q N 0.397 120.194 119.800 -0.006 0.000 2.112 165 Q HA -0.143 4.168 4.340 -0.048 0.000 0.206 165 Q C 2.279 178.322 176.000 0.072 0.000 0.987 165 Q CA 1.532 57.394 55.803 0.098 0.000 0.858 165 Q CB -0.242 28.619 28.738 0.206 0.000 0.905 165 Q HN 0.376 nan 8.270 nan 0.000 0.420 166 I N 0.248 120.535 120.570 -0.473 0.000 2.163 166 I HA -0.243 3.898 4.170 -0.048 0.000 0.240 166 I C 2.301 178.276 176.117 -0.237 0.000 1.081 166 I CA 0.916 61.766 61.300 -0.750 0.000 1.353 166 I CB -0.197 37.166 38.000 -1.061 0.000 1.054 166 I HN 0.029 nan 8.210 nan 0.000 0.407 167 K N 0.888 121.123 120.400 -0.275 0.000 2.211 167 K HA -0.192 4.100 4.320 -0.048 0.000 0.204 167 K C 1.601 178.189 176.600 -0.020 0.000 1.047 167 K CA 1.242 57.434 56.287 -0.159 0.000 0.935 167 K CB -0.124 32.297 32.500 -0.132 0.000 0.728 167 K HN 0.255 nan 8.250 nan 0.000 0.452 168 Q N -0.919 118.904 119.800 0.039 0.000 2.465 168 Q HA 0.096 4.407 4.340 -0.048 0.000 0.361 168 Q C -0.301 175.790 176.000 0.152 0.000 0.957 168 Q CA -0.214 55.633 55.803 0.073 0.000 1.065 168 Q CB 0.053 28.830 28.738 0.066 0.000 1.274 168 Q HN 0.290 nan 8.270 nan 0.000 0.421 169 F N -1.507 118.426 119.950 -0.027 0.000 2.839 169 F HA 0.134 4.630 4.527 -0.053 0.000 0.355 169 F C 1.242 176.939 175.800 -0.172 0.000 0.904 169 F CA 0.924 58.890 58.000 -0.057 0.000 1.098 169 F CB 0.639 39.705 39.000 0.111 0.000 0.982 169 F HN 0.135 nan 8.300 nan 0.000 0.600 170 T N -2.386 112.224 114.554 0.093 0.000 3.054 170 T HA 0.145 4.467 4.350 -0.048 0.000 0.255 170 T C 1.599 176.276 174.700 -0.039 0.000 1.035 170 T CA 0.382 62.473 62.100 -0.016 0.000 0.941 170 T CB 0.211 69.086 68.868 0.011 0.000 1.026 170 T HN 0.030 nan 8.240 nan 0.000 0.533 171 K N 2.597 122.979 120.400 -0.030 0.000 2.218 171 K HA 0.009 4.300 4.320 -0.048 0.000 0.205 171 K C 1.582 178.171 176.600 -0.019 0.000 1.046 171 K CA 1.613 57.889 56.287 -0.018 0.000 0.933 171 K CB -0.870 31.623 32.500 -0.012 0.000 0.728 171 K HN 0.504 nan 8.250 nan 0.000 0.454 172 G N -0.957 107.819 108.800 -0.040 0.000 4.238 172 G HA2 0.129 4.060 3.960 -0.048 0.000 0.292 172 G HA3 0.129 4.060 3.960 -0.048 0.000 0.292 172 G C -0.274 174.634 174.900 0.013 0.000 1.036 172 G CA 0.055 45.148 45.100 -0.013 0.000 0.812 172 G HN 0.317 nan 8.290 nan 0.000 0.489 173 T N -1.028 113.534 114.554 0.014 0.000 2.804 173 T HA 0.381 4.702 4.350 -0.048 0.000 0.272 173 T C 1.030 175.801 174.700 0.119 0.000 0.986 173 T CA -0.313 61.839 62.100 0.086 0.000 0.999 173 T CB 0.735 69.645 68.868 0.069 0.000 1.307 173 T HN 0.337 nan 8.240 nan 0.000 0.586 174 W N 0.982 122.354 121.300 0.120 0.000 2.465 174 W HA 0.284 4.918 4.660 -0.043 0.000 0.268 174 W C 1.607 178.182 176.519 0.094 0.000 1.242 174 W CA 0.904 58.291 57.345 0.070 0.000 1.248 174 W CB -0.749 28.718 29.460 0.012 0.000 1.118 174 W HN 0.533 nan 8.180 nan 0.000 0.587 175 A N 0.758 123.189 122.820 -0.649 0.000 2.206 175 A HA -0.072 4.219 4.320 -0.048 0.000 0.211 175 A C 1.788 179.293 177.584 -0.130 0.000 1.158 175 A CA 1.366 53.118 52.037 -0.474 0.000 0.761 175 A CB -0.854 17.903 19.000 -0.405 0.000 0.801 175 A HN 0.361 nan 8.150 nan 0.000 0.473 176 E N 1.058 121.224 120.200 -0.057 0.000 2.335 176 E HA -0.294 4.027 4.350 -0.048 0.000 0.236 176 E C 1.054 177.653 176.600 -0.002 0.000 1.103 176 E CA 2.533 58.929 56.400 -0.006 0.000 1.010 176 E CB -0.304 29.417 29.700 0.034 0.000 0.859 176 E HN 0.673 nan 8.360 nan 0.000 0.473 177 N N -1.395 117.317 118.700 0.020 0.000 2.205 177 N HA 0.119 4.830 4.740 -0.048 0.000 0.201 177 N C -1.058 174.453 175.510 0.002 0.000 1.128 177 N CA 0.116 53.187 53.050 0.035 0.000 0.867 177 N CB 0.864 39.404 38.487 0.089 0.000 0.996 177 N HN -0.059 nan 8.380 nan 0.000 0.503 178 V N 3.991 123.884 119.914 -0.036 0.000 2.625 178 V HA -0.024 4.067 4.120 -0.048 0.000 0.305 178 V C -1.711 174.259 176.094 -0.207 0.000 1.055 178 V CA -0.541 61.699 62.300 -0.100 0.000 1.209 178 V CB 0.020 31.796 31.823 -0.079 0.000 0.877 178 V HN 0.188 nan 8.190 nan 0.000 0.489 179 P HA 0.316 nan 4.420 nan 0.000 0.274 179 P C -0.765 176.364 177.300 -0.286 0.000 1.231 179 P CA -0.204 62.648 63.100 -0.415 0.000 0.790 179 P CB 1.031 32.204 31.700 -0.878 0.000 0.951 180 I N 3.050 123.496 120.570 -0.208 0.000 2.382 180 I HA 0.403 4.545 4.170 -0.048 0.000 0.286 180 I C 0.194 176.285 176.117 -0.043 0.000 1.002 180 I CA -0.723 60.461 61.300 -0.192 0.000 1.135 180 I CB 1.205 38.952 38.000 -0.422 0.000 1.288 180 I HN 0.116 nan 8.210 nan 0.000 0.448 181 I N 8.306 128.843 120.570 -0.055 0.000 2.389 181 I HA 0.382 4.524 4.170 -0.048 0.000 0.288 181 I C -2.438 173.675 176.117 -0.007 0.000 0.999 181 I CA -1.989 59.305 61.300 -0.010 0.000 1.129 181 I CB 2.216 40.202 38.000 -0.023 0.000 1.288 181 I HN 0.269 nan 8.210 nan 0.000 0.444 182 P HA 0.317 nan 4.420 nan 0.000 0.293 182 P C -0.803 176.497 177.300 0.001 0.000 1.300 182 P CA -0.187 62.916 63.100 0.006 0.000 0.792 182 P CB 1.894 33.607 31.700 0.021 0.000 0.925 183 V N -0.014 119.896 119.914 -0.007 0.000 3.112 183 V HA 0.820 4.912 4.120 -0.048 0.000 0.310 183 V C -0.974 175.120 176.094 -0.000 0.000 1.364 183 V CA -1.076 61.223 62.300 -0.002 0.000 1.058 183 V CB 1.675 33.493 31.823 -0.009 0.000 1.079 183 V HN 0.506 nan 8.190 nan 0.000 0.463 184 S N -0.468 115.237 115.700 0.008 0.000 2.721 184 S HA 0.727 5.168 4.470 -0.048 0.000 0.264 184 S C 0.578 175.170 174.600 -0.013 0.000 1.161 184 S CA 0.210 58.418 58.200 0.012 0.000 1.113 184 S CB 1.008 64.252 63.200 0.073 0.000 1.079 184 S HN 1.752 nan 8.310 nan 0.000 0.479 185 A N 4.935 127.730 122.820 -0.042 0.000 1.968 185 A HA 0.137 4.428 4.320 -0.048 0.000 0.217 185 A C 1.870 179.408 177.584 -0.078 0.000 1.169 185 A CA 0.670 52.676 52.037 -0.051 0.000 0.638 185 A CB -0.459 18.509 19.000 -0.053 0.000 0.812 185 A HN 0.767 nan 8.150 nan 0.000 0.446 186 L N -1.186 119.942 121.223 -0.158 0.000 2.005 186 L HA -0.169 4.143 4.340 -0.048 0.000 0.207 186 L C 1.926 178.563 176.870 -0.388 0.000 1.072 186 L CA 1.838 56.485 54.840 -0.322 0.000 0.744 186 L CB -0.321 41.399 42.059 -0.566 0.000 0.895 186 L HN 0.607 nan 8.230 nan 0.000 0.433 187 H N -0.728 118.349 119.070 0.011 0.000 2.549 187 H HA 0.162 4.690 4.556 -0.047 0.000 0.279 187 H C -0.359 174.973 175.328 0.007 0.000 1.018 187 H CA -0.383 55.669 56.048 0.007 0.000 1.175 187 H CB 0.279 30.044 29.762 0.003 0.000 1.485 187 H HN 0.075 nan 8.280 nan 0.000 0.543 188 K N 1.144 121.577 120.400 0.055 0.000 5.349 188 K HA -0.167 4.125 4.320 -0.048 0.000 0.360 188 K C -1.190 175.443 176.600 0.055 0.000 0.960 188 K CA 0.435 56.746 56.287 0.041 0.000 1.134 188 K CB -1.331 31.192 32.500 0.039 0.000 1.782 188 K HN 0.395 nan 8.250 nan 0.000 0.408 189 I N 1.578 122.175 120.570 0.045 0.000 2.534 189 I HA 0.122 4.264 4.170 -0.048 0.000 0.288 189 I C 0.730 176.864 176.117 0.029 0.000 1.077 189 I CA -0.753 60.572 61.300 0.042 0.000 1.051 189 I CB 1.769 39.799 38.000 0.050 0.000 1.234 189 I HN 0.614 nan 8.210 nan 0.000 0.425 190 N N 4.192 122.910 118.700 0.030 0.000 2.828 190 N HA -0.191 4.521 4.740 -0.048 0.000 0.248 190 N C 0.949 176.476 175.510 0.028 0.000 1.044 190 N CA 0.677 53.745 53.050 0.029 0.000 0.851 190 N CB -0.440 38.060 38.487 0.022 0.000 1.136 190 N HN 0.566 nan 8.380 nan 0.000 0.572 191 I N 0.271 120.857 120.570 0.027 0.000 2.335 191 I HA -0.213 3.928 4.170 -0.048 0.000 0.251 191 I C 1.698 177.835 176.117 0.033 0.000 1.129 191 I CA 1.561 62.873 61.300 0.020 0.000 1.402 191 I CB -0.972 37.038 38.000 0.017 0.000 1.069 191 I HN 0.231 nan 8.210 nan 0.000 0.424 192 D N 0.438 120.873 120.400 0.058 0.000 2.178 192 D HA -0.107 4.504 4.640 -0.048 0.000 0.201 192 D C 2.383 178.733 176.300 0.083 0.000 0.980 192 D CA 0.998 55.055 54.000 0.094 0.000 0.842 192 D CB 0.079 40.953 40.800 0.123 0.000 0.948 192 D HN 0.159 nan 8.370 nan 0.000 0.472 193 S N 0.026 115.763 115.700 0.061 0.000 2.368 193 S HA -0.108 4.333 4.470 -0.048 0.000 0.224 193 S C 1.771 176.376 174.600 0.008 0.000 1.029 193 S CA 0.320 58.550 58.200 0.050 0.000 0.988 193 S CB -0.230 62.999 63.200 0.047 0.000 0.838 193 S HN 0.204 nan 8.310 nan 0.000 0.462 194 L N 2.036 123.260 121.223 0.002 0.000 2.042 194 L HA 0.015 4.326 4.340 -0.048 0.000 0.210 194 L C 1.879 178.726 176.870 -0.037 0.000 1.076 194 L CA 1.604 56.438 54.840 -0.009 0.000 0.749 194 L CB -0.515 41.540 42.059 -0.007 0.000 0.893 194 L HN 0.293 nan 8.230 nan 0.000 0.432 195 I N -0.698 119.835 120.570 -0.062 0.000 2.394 195 I HA -0.254 3.887 4.170 -0.048 0.000 0.251 195 I C 2.462 178.337 176.117 -0.403 0.000 1.136 195 I CA 1.368 62.586 61.300 -0.137 0.000 1.425 195 I CB -0.285 37.674 38.000 -0.069 0.000 1.079 195 I HN 0.480 nan 8.210 nan 0.000 0.425 196 E N 1.217 121.140 120.200 -0.461 0.000 2.046 196 E HA -0.167 4.155 4.350 -0.048 0.000 0.190 196 E C 2.300 178.757 176.600 -0.238 0.000 0.982 196 E CA 1.226 57.226 56.400 -0.667 0.000 0.800 196 E CB -0.232 29.367 29.700 -0.167 0.000 0.756 196 E HN 0.444 nan 8.360 nan 0.000 0.449 197 G N 1.861 110.630 108.800 -0.051 0.000 2.475 197 G HA2 -0.274 3.657 3.960 -0.048 0.000 0.220 197 G HA3 -0.274 3.657 3.960 -0.048 0.000 0.220 197 G C 1.604 176.592 174.900 0.146 0.000 1.125 197 G CA 1.064 46.238 45.100 0.124 0.000 0.755 197 G HN 0.523 nan 8.290 nan 0.000 0.565 198 I N -2.492 118.088 120.570 0.017 0.000 3.226 198 I HA 0.209 4.351 4.170 -0.048 0.000 0.277 198 I C 1.881 177.980 176.117 -0.029 0.000 1.243 198 I CA 0.686 62.003 61.300 0.029 0.000 1.459 198 I CB 0.138 38.156 38.000 0.030 0.000 1.093 198 I HN -0.107 nan 8.210 nan 0.000 0.453 199 E N 1.562 121.694 120.200 -0.113 0.000 2.216 199 E HA -0.130 4.192 4.350 -0.048 0.000 0.192 199 E C 1.716 178.262 176.600 -0.090 0.000 0.988 199 E CA 1.044 57.364 56.400 -0.132 0.000 0.834 199 E CB 0.174 29.735 29.700 -0.231 0.000 0.772 199 E HN 0.709 nan 8.360 nan 0.000 0.479 200 E N -1.090 119.060 120.200 -0.082 0.000 2.166 200 E HA -0.013 4.308 4.350 -0.048 0.000 0.192 200 E C 1.339 177.763 176.600 -0.292 0.000 0.967 200 E CA 0.314 56.599 56.400 -0.192 0.000 0.840 200 E CB 0.096 29.637 29.700 -0.265 0.000 0.795 200 E HN 0.223 nan 8.360 nan 0.000 0.470 201 Y N -0.185 120.100 120.300 -0.025 0.000 2.503 201 Y HA 0.245 4.764 4.550 -0.052 0.000 0.278 201 Y C 0.810 176.702 175.900 -0.013 0.000 1.111 201 Y CA 0.326 58.420 58.100 -0.009 0.000 1.270 201 Y CB 0.783 39.244 38.460 0.001 0.000 1.063 201 Y HN -0.109 nan 8.280 nan 0.000 0.548 202 I N 1.794 122.420 120.570 0.092 0.000 2.778 202 I HA 0.167 4.309 4.170 -0.048 0.000 0.285 202 I C -0.689 175.416 176.117 -0.020 0.000 1.236 202 I CA -0.522 60.798 61.300 0.032 0.000 1.089 202 I CB 0.174 38.184 38.000 0.016 0.000 1.601 202 I HN -0.089 nan 8.210 nan 0.000 0.573 203 K N 2.086 122.471 120.400 -0.025 0.000 2.202 203 K HA 0.339 4.630 4.320 -0.048 0.000 0.264 203 K C 0.162 176.737 176.600 -0.042 0.000 1.010 203 K CA -0.513 55.748 56.287 -0.043 0.000 0.940 203 K CB 0.657 33.133 32.500 -0.039 0.000 0.983 203 K HN 0.179 nan 8.250 nan 0.000 0.475 204 T N 4.085 118.608 114.554 -0.053 0.000 2.817 204 T HA 0.111 4.433 4.350 -0.048 0.000 0.295 204 T C -2.035 172.651 174.700 -0.023 0.000 0.958 204 T CA -0.978 61.090 62.100 -0.054 0.000 1.157 204 T CB 0.124 68.950 68.868 -0.069 0.000 0.898 204 T HN 0.339 nan 8.240 nan 0.000 0.536 205 P HA 0.074 nan 4.420 nan 0.000 0.270 205 P C -0.492 176.829 177.300 0.034 0.000 1.223 205 P CA -0.590 62.519 63.100 0.014 0.000 0.785 205 P CB 0.308 32.006 31.700 -0.003 0.000 0.923 206 Y N 2.431 122.715 120.300 -0.027 0.000 2.597 206 Y HA 0.113 4.633 4.550 -0.049 0.000 0.336 206 Y C 0.208 176.095 175.900 -0.022 0.000 1.216 206 Y CA 0.251 58.337 58.100 -0.024 0.000 1.463 206 Y CB 0.440 38.889 38.460 -0.018 0.000 1.303 206 Y HN 0.188 nan 8.280 nan 0.000 0.576 207 R N 5.109 125.051 120.500 -0.930 0.000 2.371 207 R HA 0.139 4.450 4.340 -0.048 0.000 0.312 207 R C -1.344 174.372 176.300 -0.973 0.000 0.980 207 R CA -0.776 54.883 56.100 -0.736 0.000 0.867 207 R CB 0.863 30.954 30.300 -0.347 0.000 1.163 207 R HN 0.716 nan 8.270 nan 0.000 0.492 208 D N 4.481 124.425 120.400 -0.760 0.000 2.422 208 D HA 0.054 4.665 4.640 -0.048 0.000 0.227 208 D C 0.883 177.061 176.300 -0.203 0.000 1.190 208 D CA -0.191 53.588 54.000 -0.369 0.000 0.905 208 D CB 0.774 41.518 40.800 -0.094 0.000 1.034 208 D HN 0.477 nan 8.370 nan 0.000 0.507 209 L N 2.857 123.982 121.223 -0.163 0.000 2.549 209 L HA -0.142 4.169 4.340 -0.048 0.000 0.229 209 L C 2.136 178.954 176.870 -0.086 0.000 1.158 209 L CA 0.657 55.427 54.840 -0.117 0.000 0.842 209 L CB -0.092 41.914 42.059 -0.088 0.000 0.952 209 L HN 0.366 nan 8.230 nan 0.000 0.452 210 S N -1.984 113.680 115.700 -0.060 0.000 2.458 210 S HA -0.013 4.429 4.470 -0.048 0.000 0.223 210 S C 0.926 175.497 174.600 -0.048 0.000 1.019 210 S CA -0.379 57.796 58.200 -0.042 0.000 0.937 210 S CB -0.041 63.152 63.200 -0.012 0.000 0.788 210 S HN 0.390 nan 8.310 nan 0.000 0.511 211 Q N 2.364 122.135 119.800 -0.048 0.000 2.394 211 Q HA 0.034 4.345 4.340 -0.048 0.000 0.303 211 Q C -0.085 175.875 176.000 -0.067 0.000 1.117 211 Q CA 0.322 56.103 55.803 -0.035 0.000 0.966 211 Q CB 0.240 28.963 28.738 -0.025 0.000 1.275 211 Q HN 0.621 nan 8.270 nan 0.000 0.429 212 K N 1.270 121.644 120.400 -0.042 0.000 2.401 212 K HA 0.232 4.523 4.320 -0.048 0.000 0.278 212 K C -2.599 173.915 176.600 -0.144 0.000 1.018 212 K CA -1.542 54.700 56.287 -0.075 0.000 0.981 212 K CB -0.087 32.404 32.500 -0.016 0.000 0.933 212 K HN 0.144 nan 8.250 nan 0.000 0.477 213 P HA 0.004 nan 4.420 nan 0.000 0.268 213 P C -1.119 176.053 177.300 -0.214 0.000 1.204 213 P CA -0.312 62.429 63.100 -0.597 0.000 0.768 213 P CB 0.824 31.646 31.700 -1.463 0.000 0.842 214 V N 4.414 124.313 119.914 -0.025 0.000 2.711 214 V HA 0.492 4.583 4.120 -0.048 0.000 0.304 214 V C -0.434 175.688 176.094 0.047 0.000 1.097 214 V CA -0.462 61.846 62.300 0.014 0.000 0.906 214 V CB 2.041 33.645 31.823 -0.365 0.000 1.015 214 V HN 0.559 nan 8.190 nan 0.000 0.427 215 M N 5.550 125.120 119.600 -0.050 0.000 2.395 215 M HA 0.663 5.115 4.480 -0.048 0.000 0.307 215 M C -2.028 174.090 176.300 -0.303 0.000 1.091 215 M CA -0.657 54.530 55.300 -0.189 0.000 0.919 215 M CB 2.028 34.417 32.600 -0.352 0.000 1.662 215 M HN 0.579 nan 8.290 nan 0.000 0.440 216 L N 4.961 126.009 121.223 -0.292 0.000 2.275 216 L HA 0.503 4.814 4.340 -0.048 0.000 0.288 216 L C -0.620 176.109 176.870 -0.234 0.000 1.046 216 L CA -1.043 53.628 54.840 -0.282 0.000 0.805 216 L CB 1.406 43.317 42.059 -0.248 0.000 1.193 216 L HN 0.445 nan 8.230 nan 0.000 0.426 217 V N 5.073 124.854 119.914 -0.222 0.000 2.432 217 V HA 0.184 4.275 4.120 -0.048 0.000 0.275 217 V C 0.970 176.949 176.094 -0.192 0.000 1.043 217 V CA -0.080 62.088 62.300 -0.220 0.000 0.925 217 V CB 1.466 33.160 31.823 -0.215 0.000 0.985 217 V HN 0.782 nan 8.190 nan 0.000 0.466 218 I N 0.778 121.226 120.570 -0.203 0.000 4.439 218 I HA 0.539 4.680 4.170 -0.048 0.000 0.331 218 I C 0.516 176.513 176.117 -0.199 0.000 1.345 218 I CA 0.080 61.276 61.300 -0.172 0.000 1.193 218 I CB 0.520 38.432 38.000 -0.147 0.000 1.221 218 I HN 0.399 nan 8.210 nan 0.000 0.429 219 R N 1.868 122.200 120.500 -0.281 0.000 2.643 219 R HA 0.622 4.933 4.340 -0.048 0.000 0.269 219 R C -1.427 174.480 176.300 -0.654 0.000 1.037 219 R CA 0.025 55.878 56.100 -0.412 0.000 0.894 219 R CB 2.508 32.593 30.300 -0.358 0.000 1.238 219 R HN 0.416 nan 8.270 nan 0.000 0.459 220 S N 1.416 116.565 115.700 -0.918 0.000 2.543 220 S HA 0.827 5.269 4.470 -0.048 0.000 0.274 220 S C -1.231 172.827 174.600 -0.903 0.000 1.149 220 S CA -0.764 56.883 58.200 -0.923 0.000 0.866 220 S CB 1.545 64.496 63.200 -0.416 0.000 1.111 220 S HN 0.403 nan 8.310 nan 0.000 0.457 221 F N -0.706 119.202 119.950 -0.069 0.000 2.926 221 F HA 0.721 5.219 4.527 -0.048 0.000 0.321 221 F C -1.383 174.384 175.800 -0.054 0.000 1.168 221 F CA -1.277 56.689 58.000 -0.056 0.000 0.890 221 F CB 0.012 38.980 39.000 -0.053 0.000 1.357 221 F HN 0.581 nan 8.300 nan 0.000 0.468 222 D N 1.134 121.668 120.400 0.224 0.000 2.473 222 D HA 0.394 5.005 4.640 -0.048 0.000 0.226 222 D C 1.012 177.330 176.300 0.031 0.000 1.089 222 D CA -0.386 53.669 54.000 0.091 0.000 0.883 222 D CB 1.386 42.218 40.800 0.053 0.000 1.029 222 D HN 0.570 nan 8.370 nan 0.000 0.517 223 V N 1.678 121.592 119.914 0.000 0.000 2.720 223 V HA -0.073 4.019 4.120 -0.048 0.000 0.256 223 V C 0.635 176.688 176.094 -0.068 0.000 1.082 223 V CA 0.380 62.630 62.300 -0.082 0.000 1.101 223 V CB -1.360 30.410 31.823 -0.089 0.000 0.693 223 V HN 0.325 nan 8.190 nan 0.000 0.479 224 N N 1.844 120.518 118.700 -0.043 0.000 2.412 224 N HA 0.139 4.850 4.740 -0.048 0.000 0.258 224 N C -0.095 175.396 175.510 -0.032 0.000 1.236 224 N CA 0.192 53.218 53.050 -0.039 0.000 0.882 224 N CB 0.344 38.812 38.487 -0.031 0.000 1.066 224 N HN 0.339 nan 8.380 nan 0.000 0.465 225 K N 2.497 122.878 120.400 -0.032 0.000 2.087 225 K HA 0.424 4.715 4.320 -0.048 0.000 0.255 225 K C -2.332 174.261 176.600 -0.011 0.000 0.988 225 K CA -2.140 54.132 56.287 -0.026 0.000 0.915 225 K CB 0.111 32.593 32.500 -0.031 0.000 1.043 225 K HN 0.302 nan 8.250 nan 0.000 0.457 226 P HA 0.052 nan 4.420 nan 0.000 0.265 226 P C 0.621 177.923 177.300 0.004 0.000 1.193 226 P CA 0.877 63.978 63.100 0.003 0.000 0.765 226 P CB 0.391 32.091 31.700 0.001 0.000 0.823 227 G N 1.458 110.266 108.800 0.013 0.000 2.213 227 G HA2 -0.232 3.699 3.960 -0.048 0.000 0.236 227 G HA3 -0.232 3.699 3.960 -0.048 0.000 0.236 227 G C 0.449 175.360 174.900 0.018 0.000 0.991 227 G CA 0.025 45.134 45.100 0.015 0.000 0.629 227 G HN 0.611 nan 8.290 nan 0.000 0.517 228 T N 3.000 117.563 114.554 0.014 0.000 2.923 228 T HA 0.332 4.653 4.350 -0.048 0.000 0.304 228 T C 0.456 175.177 174.700 0.036 0.000 1.044 228 T CA 0.480 62.586 62.100 0.011 0.000 1.141 228 T CB 0.784 69.649 68.868 -0.004 0.000 1.023 228 T HN 0.326 nan 8.240 nan 0.000 0.533 229 Q N 2.078 121.897 119.800 0.032 0.000 2.288 229 Q HA 0.218 4.530 4.340 -0.048 0.000 0.254 229 Q C 0.916 176.969 176.000 0.089 0.000 0.932 229 Q CA -0.411 55.433 55.803 0.068 0.000 0.902 229 Q CB 0.521 29.288 28.738 0.049 0.000 1.203 229 Q HN 0.694 nan 8.270 nan 0.000 0.415 230 F N 3.502 123.451 119.950 -0.002 0.000 2.120 230 F HA -0.294 4.205 4.527 -0.047 0.000 0.300 230 F C 1.762 177.563 175.800 0.002 0.000 1.095 230 F CA 2.227 60.227 58.000 0.000 0.000 1.249 230 F CB 0.092 39.094 39.000 0.002 0.000 0.995 230 F HN 0.692 nan 8.300 nan 0.000 0.480 231 N N -0.058 118.685 118.700 0.072 0.000 2.521 231 N HA -0.135 4.576 4.740 -0.048 0.000 0.188 231 N C 1.054 176.523 175.510 -0.068 0.000 1.146 231 N CA 1.023 54.066 53.050 -0.011 0.000 0.893 231 N CB -0.180 38.346 38.487 0.064 0.000 0.975 231 N HN 0.364 nan 8.380 nan 0.000 0.451 232 E N -0.142 120.013 120.200 -0.076 0.000 2.562 232 E HA 0.177 4.499 4.350 -0.048 0.000 0.214 232 E C -0.301 176.238 176.600 -0.102 0.000 0.979 232 E CA -0.377 55.981 56.400 -0.070 0.000 1.002 232 E CB 0.132 29.813 29.700 -0.032 0.000 1.048 232 E HN 0.375 nan 8.360 nan 0.000 0.488 233 L N -0.786 120.339 121.223 -0.164 0.000 2.439 233 L HA 0.486 4.798 4.340 -0.048 0.000 0.261 233 L C 0.234 177.009 176.870 -0.159 0.000 1.153 233 L CA -0.574 54.173 54.840 -0.155 0.000 0.808 233 L CB 0.173 42.127 42.059 -0.176 0.000 1.126 233 L HN -0.273 nan 8.230 nan 0.000 0.460 234 K N 0.643 120.967 120.400 -0.127 0.000 2.090 234 K HA 0.585 4.876 4.320 -0.048 0.000 0.249 234 K C 0.314 176.837 176.600 -0.128 0.000 0.995 234 K CA -0.337 55.870 56.287 -0.132 0.000 0.914 234 K CB 1.170 33.604 32.500 -0.110 0.000 1.057 234 K HN 0.937 nan 8.250 nan 0.000 0.462 235 G N -0.169 108.538 108.800 -0.155 0.000 2.651 235 G HA2 0.302 4.233 3.960 -0.048 0.000 0.260 235 G HA3 0.302 4.233 3.960 -0.048 0.000 0.260 235 G C 0.179 175.035 174.900 -0.073 0.000 1.216 235 G CA -0.436 44.592 45.100 -0.120 0.000 0.913 235 G HN 0.537 nan 8.290 nan 0.000 0.535 236 G N -2.125 106.652 108.800 -0.039 0.000 2.699 236 G HA2 0.417 4.348 3.960 -0.048 0.000 0.246 236 G HA3 0.417 4.348 3.960 -0.048 0.000 0.246 236 G C -0.670 174.221 174.900 -0.014 0.000 1.219 236 G CA -0.089 45.003 45.100 -0.014 0.000 0.866 236 G HN 0.723 nan 8.290 nan 0.000 0.572 237 V N 0.523 120.453 119.914 0.027 0.000 2.789 237 V HA 0.483 4.575 4.120 -0.048 0.000 0.311 237 V C -0.259 175.778 176.094 -0.095 0.000 1.073 237 V CA -0.529 61.793 62.300 0.037 0.000 0.921 237 V CB 1.957 33.923 31.823 0.238 0.000 1.009 237 V HN 0.598 nan 8.190 nan 0.000 0.426 238 I N 2.944 123.425 120.570 -0.149 0.000 2.447 238 I HA 0.598 4.740 4.170 -0.048 0.000 0.287 238 I C 0.483 176.434 176.117 -0.276 0.000 1.023 238 I CA -0.372 60.768 61.300 -0.267 0.000 1.083 238 I CB 2.003 39.862 38.000 -0.235 0.000 1.245 238 I HN 0.744 nan 8.210 nan 0.000 0.434 239 G N 3.640 112.215 108.800 -0.375 0.000 2.356 239 G HA2 0.769 4.700 3.960 -0.048 0.000 0.322 239 G HA3 0.769 4.700 3.960 -0.048 0.000 0.322 239 G C -0.333 174.394 174.900 -0.289 0.000 1.125 239 G CA -0.447 44.478 45.100 -0.292 0.000 0.885 239 G HN 0.859 nan 8.290 nan 0.000 0.467 240 G N -0.759 107.880 108.800 -0.269 0.000 2.489 240 G HA2 0.544 4.475 3.960 -0.048 0.000 0.305 240 G HA3 0.544 4.475 3.960 -0.048 0.000 0.305 240 G C -1.415 173.353 174.900 -0.221 0.000 1.311 240 G CA -0.107 44.847 45.100 -0.244 0.000 0.813 240 G HN 1.012 nan 8.290 nan 0.000 0.480 241 S N -0.919 114.673 115.700 -0.179 0.000 2.521 241 S HA 0.681 5.122 4.470 -0.048 0.000 0.295 241 S C -0.397 174.141 174.600 -0.103 0.000 1.098 241 S CA -0.648 57.482 58.200 -0.117 0.000 0.999 241 S CB 0.868 64.018 63.200 -0.084 0.000 1.034 241 S HN 0.507 nan 8.310 nan 0.000 0.483 242 I N 5.808 126.361 120.570 -0.030 0.000 2.352 242 I HA 0.181 4.323 4.170 -0.048 0.000 0.290 242 I C 0.709 176.816 176.117 -0.017 0.000 1.036 242 I CA -0.469 60.844 61.300 0.021 0.000 1.336 242 I CB 0.938 39.026 38.000 0.147 0.000 1.407 242 I HN 0.672 nan 8.210 nan 0.000 0.497 243 I N 4.656 125.183 120.570 -0.071 0.000 2.585 243 I HA -0.029 4.112 4.170 -0.048 0.000 0.254 243 I C 0.878 176.958 176.117 -0.061 0.000 1.129 243 I CA 1.237 62.482 61.300 -0.092 0.000 1.455 243 I CB -0.583 37.298 38.000 -0.199 0.000 1.111 243 I HN 0.703 nan 8.210 nan 0.000 0.433 244 Q N -1.252 118.508 119.800 -0.068 0.000 2.575 244 Q HA 0.518 4.830 4.340 -0.048 0.000 0.290 244 Q C 0.071 176.000 176.000 -0.117 0.000 0.963 244 Q CA -0.365 55.394 55.803 -0.074 0.000 0.783 244 Q CB 1.809 30.524 28.738 -0.038 0.000 1.467 244 Q HN 0.176 nan 8.270 nan 0.000 0.402 245 G N 0.408 109.125 108.800 -0.139 0.000 2.569 245 G HA2 -0.013 3.919 3.960 -0.048 0.000 0.259 245 G HA3 -0.013 3.919 3.960 -0.048 0.000 0.259 245 G C -0.855 173.920 174.900 -0.209 0.000 1.263 245 G CA 0.357 45.339 45.100 -0.197 0.000 0.928 245 G HN 1.668 nan 8.290 nan 0.000 0.572 246 L N -3.708 117.324 121.223 -0.319 0.000 2.622 246 L HA 0.925 5.236 4.340 -0.048 0.000 0.258 246 L C -0.964 175.675 176.870 -0.384 0.000 0.996 246 L CA -1.487 53.225 54.840 -0.214 0.000 0.858 246 L CB 1.453 43.460 42.059 -0.087 0.000 1.449 246 L HN 0.748 nan 8.230 nan 0.000 0.411 247 F N 0.194 120.143 119.950 -0.001 0.000 2.546 247 F HA 0.794 5.290 4.527 -0.052 0.000 0.320 247 F C 0.105 175.922 175.800 0.029 0.000 1.076 247 F CA -0.434 57.569 58.000 0.005 0.000 0.928 247 F CB 2.387 41.382 39.000 -0.010 0.000 1.189 247 F HN 0.400 nan 8.300 nan 0.000 0.465 248 K N 1.374 121.901 120.400 0.211 0.000 2.318 248 K HA 0.602 4.894 4.320 -0.048 0.000 0.249 248 K C -1.221 175.466 176.600 0.146 0.000 0.942 248 K CA -1.110 55.266 56.287 0.149 0.000 0.808 248 K CB 2.614 35.171 32.500 0.096 0.000 1.189 248 K HN 0.283 nan 8.250 nan 0.000 0.428 249 V N 3.022 123.013 119.914 0.129 0.000 2.694 249 V HA -0.095 3.996 4.120 -0.048 0.000 0.306 249 V C 0.531 176.691 176.094 0.111 0.000 1.054 249 V CA 0.965 63.335 62.300 0.117 0.000 1.161 249 V CB 0.082 31.969 31.823 0.106 0.000 0.916 249 V HN 0.937 nan 8.190 nan 0.000 0.490 250 D N 1.178 121.652 120.400 0.123 0.000 2.954 250 D HA -0.137 4.474 4.640 -0.048 0.000 0.200 250 D C 0.534 176.884 176.300 0.084 0.000 1.022 250 D CA 1.001 55.064 54.000 0.105 0.000 1.003 250 D CB -0.667 40.182 40.800 0.081 0.000 1.073 250 D HN 0.830 nan 8.370 nan 0.000 0.438 251 Q N 0.133 119.996 119.800 0.105 0.000 2.306 251 Q HA 0.405 4.716 4.340 -0.048 0.000 0.241 251 Q C 0.063 176.124 176.000 0.101 0.000 0.948 251 Q CA -0.193 55.672 55.803 0.104 0.000 0.886 251 Q CB 0.997 29.822 28.738 0.146 0.000 1.227 251 Q HN 0.019 nan 8.270 nan 0.000 0.457 252 E N 1.520 121.777 120.200 0.094 0.000 2.283 252 E HA 0.371 4.692 4.350 -0.048 0.000 0.278 252 E C -0.666 176.015 176.600 0.135 0.000 1.027 252 E CA -0.087 56.377 56.400 0.106 0.000 0.843 252 E CB 0.663 30.427 29.700 0.106 0.000 1.062 252 E HN 0.424 nan 8.360 nan 0.000 0.401 253 I N -0.809 119.834 120.570 0.121 0.000 3.343 253 I HA 0.665 4.807 4.170 -0.048 0.000 0.315 253 I C -1.027 175.065 176.117 -0.041 0.000 1.153 253 I CA -1.314 60.029 61.300 0.073 0.000 0.952 253 I CB 2.200 40.221 38.000 0.035 0.000 1.287 253 I HN 0.346 nan 8.210 nan 0.000 0.472 254 K N 0.782 121.078 120.400 -0.173 0.000 2.532 254 K HA 0.744 5.035 4.320 -0.048 0.000 0.265 254 K C -1.964 174.467 176.600 -0.281 0.000 0.948 254 K CA -0.905 55.125 56.287 -0.428 0.000 0.842 254 K CB 2.531 34.485 32.500 -0.910 0.000 1.392 254 K HN 0.445 nan 8.250 nan 0.000 0.436 255 V N 2.703 122.453 119.914 -0.272 0.000 2.398 255 V HA 0.437 4.528 4.120 -0.048 0.000 0.286 255 V C -0.479 175.533 176.094 -0.136 0.000 1.026 255 V CA -0.795 61.401 62.300 -0.173 0.000 0.868 255 V CB 0.921 32.665 31.823 -0.132 0.000 0.982 255 V HN 0.591 nan 8.190 nan 0.000 0.443 256 L N 5.821 126.983 121.223 -0.101 0.000 2.346 256 L HA 0.467 4.778 4.340 -0.048 0.000 0.274 256 L C -1.791 175.044 176.870 -0.058 0.000 1.007 256 L CA -1.754 53.049 54.840 -0.062 0.000 0.818 256 L CB 2.514 44.548 42.059 -0.042 0.000 1.284 256 L HN 0.351 nan 8.230 nan 0.000 0.424 257 P HA -0.057 nan 4.420 nan 0.000 0.221 257 P C 0.692 178.049 177.300 0.095 0.000 1.145 257 P CA 1.083 64.154 63.100 -0.048 0.000 0.795 257 P CB 0.293 31.827 31.700 -0.277 0.000 0.775 258 G N -1.217 107.641 108.800 0.098 0.000 2.418 258 G HA2 -0.153 3.779 3.960 -0.048 0.000 0.206 258 G HA3 -0.153 3.779 3.960 -0.048 0.000 0.206 258 G C -1.446 173.512 174.900 0.097 0.000 1.202 258 G CA -0.475 44.666 45.100 0.068 0.000 1.061 258 G HN 0.341 nan 8.290 nan 0.000 0.563 259 L N 1.590 122.829 121.223 0.027 0.000 2.319 259 L HA 0.688 5.000 4.340 -0.048 0.000 0.280 259 L C 1.073 177.774 176.870 -0.282 0.000 1.099 259 L CA -0.321 54.472 54.840 -0.078 0.000 0.828 259 L CB 1.005 43.042 42.059 -0.036 0.000 1.150 259 L HN 0.740 nan 8.230 nan 0.000 0.442 260 R N 4.877 125.054 120.500 -0.538 0.000 2.248 260 R HA 0.506 4.817 4.340 -0.048 0.000 0.328 260 R C -1.653 174.417 176.300 -0.383 0.000 1.067 260 R CA -0.379 55.165 56.100 -0.927 0.000 0.924 260 R CB 0.461 30.199 30.300 -0.937 0.000 1.013 260 R HN 0.594 nan 8.270 nan 0.000 0.454 261 V N 5.292 125.053 119.914 -0.255 0.000 2.540 261 V HA 0.227 4.318 4.120 -0.048 0.000 0.302 261 V C -0.229 175.839 176.094 -0.042 0.000 1.035 261 V CA -0.725 61.516 62.300 -0.098 0.000 0.873 261 V CB 1.879 33.678 31.823 -0.040 0.000 0.992 261 V HN 0.843 nan 8.190 nan 0.000 0.428 262 E N 3.544 123.730 120.200 -0.023 0.000 2.969 262 E HA 0.339 4.660 4.350 -0.048 0.000 0.213 262 E C -0.773 175.830 176.600 0.005 0.000 1.107 262 E CA -0.893 55.510 56.400 0.005 0.000 1.007 262 E CB 0.826 30.531 29.700 0.009 0.000 1.326 262 E HN 0.320 nan 8.360 nan 0.000 0.432 263 K N 1.544 121.948 120.400 0.007 0.000 2.270 263 K HA 0.106 4.397 4.320 -0.048 0.000 0.276 263 K C 0.324 176.925 176.600 0.002 0.000 1.023 263 K CA -0.408 55.882 56.287 0.004 0.000 0.955 263 K CB 0.777 33.280 32.500 0.006 0.000 0.975 263 K HN 0.250 nan 8.250 nan 0.000 0.471 264 Q N 0.444 120.245 119.800 0.000 0.000 2.475 264 Q HA -0.210 4.102 4.340 -0.048 0.000 0.280 264 Q C 0.693 176.692 176.000 -0.002 0.000 1.234 264 Q CA 1.106 56.907 55.803 -0.002 0.000 0.873 264 Q CB -2.254 26.480 28.738 -0.006 0.000 1.256 264 Q HN 1.137 nan 8.270 nan 0.000 0.475 265 G N -1.257 107.545 108.800 0.002 0.000 2.205 265 G HA2 -0.414 3.517 3.960 -0.048 0.000 0.269 265 G HA3 -0.414 3.517 3.960 -0.048 0.000 0.269 265 G C 0.070 174.975 174.900 0.008 0.000 0.977 265 G CA 0.840 45.944 45.100 0.006 0.000 0.652 265 G HN 0.353 nan 8.290 nan 0.000 0.539 266 K N 0.712 121.114 120.400 0.003 0.000 2.240 266 K HA 0.533 4.824 4.320 -0.048 0.000 0.271 266 K C 0.799 177.414 176.600 0.024 0.000 1.018 266 K CA -0.379 55.906 56.287 -0.002 0.000 0.874 266 K CB 2.367 34.850 32.500 -0.028 0.000 1.098 266 K HN 0.456 nan 8.250 nan 0.000 0.458 267 V N 0.530 120.481 119.914 0.061 0.000 2.924 267 V HA 0.512 4.603 4.120 -0.048 0.000 0.305 267 V C -0.079 176.144 176.094 0.216 0.000 1.073 267 V CA -0.177 62.220 62.300 0.162 0.000 1.098 267 V CB 1.052 33.056 31.823 0.301 0.000 1.000 267 V HN 0.911 nan 8.190 nan 0.000 0.484 268 S N 2.485 118.390 115.700 0.341 0.000 2.608 268 S HA 0.585 5.026 4.470 -0.048 0.000 0.285 268 S C -1.628 173.239 174.600 0.445 0.000 1.108 268 S CA -0.834 57.650 58.200 0.473 0.000 0.858 268 S CB 0.762 64.084 63.200 0.203 0.000 1.077 268 S HN 0.862 nan 8.310 nan 0.000 0.450 269 Y N 1.429 121.904 120.300 0.292 0.000 2.341 269 Y HA 0.528 5.050 4.550 -0.047 0.000 0.338 269 Y C 0.171 176.145 175.900 0.123 0.000 0.965 269 Y CA -0.930 57.258 58.100 0.147 0.000 1.108 269 Y CB 1.776 40.274 38.460 0.063 0.000 1.180 269 Y HN 0.863 nan 8.280 nan 0.000 0.458 270 E N 4.664 124.972 120.200 0.180 0.000 2.129 270 E HA 0.436 4.757 4.350 -0.048 0.000 0.268 270 E C -2.944 173.737 176.600 0.136 0.000 0.900 270 E CA -2.538 53.957 56.400 0.159 0.000 0.755 270 E CB 1.562 31.338 29.700 0.127 0.000 1.117 270 E HN 0.220 nan 8.360 nan 0.000 0.410 271 P HA -0.119 nan 4.420 nan 0.000 0.266 271 P C -0.376 176.926 177.300 0.003 0.000 1.180 271 P CA 0.449 63.545 63.100 -0.006 0.000 0.765 271 P CB 0.823 32.452 31.700 -0.118 0.000 0.806 272 I N 2.440 122.941 120.570 -0.116 0.000 2.339 272 I HA 0.274 4.415 4.170 -0.048 0.000 0.290 272 I C 0.285 176.314 176.117 -0.147 0.000 0.994 272 I CA -0.651 60.630 61.300 -0.031 0.000 1.191 272 I CB 0.308 38.290 38.000 -0.031 0.000 1.343 272 I HN 0.140 nan 8.210 nan 0.000 0.458 273 F N 4.113 124.071 119.950 0.014 0.000 2.425 273 F HA 0.691 5.191 4.527 -0.045 0.000 0.331 273 F C 0.629 176.436 175.800 0.011 0.000 1.085 273 F CA -0.289 57.718 58.000 0.012 0.000 1.028 273 F CB 1.986 40.992 39.000 0.010 0.000 1.177 273 F HN 0.356 nan 8.300 nan 0.000 0.487 274 T N 1.274 115.937 114.554 0.182 0.000 2.658 274 T HA 0.319 4.641 4.350 -0.048 0.000 0.305 274 T C -1.907 172.856 174.700 0.104 0.000 1.551 274 T CA -0.872 61.303 62.100 0.126 0.000 0.985 274 T CB 1.550 70.489 68.868 0.118 0.000 1.731 274 T HN 0.653 nan 8.240 nan 0.000 0.486 275 K N 1.170 121.644 120.400 0.123 0.000 2.385 275 K HA 0.690 4.981 4.320 -0.048 0.000 0.248 275 K C -0.878 175.886 176.600 0.274 0.000 0.955 275 K CA -0.857 55.500 56.287 0.117 0.000 0.816 275 K CB 1.341 33.782 32.500 -0.099 0.000 1.250 275 K HN 0.573 nan 8.250 nan 0.000 0.434 276 I N 3.516 124.201 120.570 0.191 0.000 2.379 276 I HA -0.008 4.133 4.170 -0.048 0.000 0.290 276 I C 1.197 177.443 176.117 0.215 0.000 1.063 276 I CA -0.057 61.333 61.300 0.150 0.000 1.351 276 I CB 1.408 39.462 38.000 0.088 0.000 1.410 276 I HN 0.756 nan 8.210 nan 0.000 0.505 277 S N 3.166 118.940 115.700 0.123 0.000 2.470 277 S HA 0.117 4.559 4.470 -0.048 0.000 0.222 277 S C 0.586 175.192 174.600 0.011 0.000 1.024 277 S CA 0.100 58.321 58.200 0.035 0.000 0.931 277 S CB 0.126 63.107 63.200 -0.365 0.000 0.791 277 S HN 0.720 nan 8.310 nan 0.000 0.513 278 S N -0.012 115.689 115.700 0.001 0.000 2.567 278 S HA 0.694 5.135 4.470 -0.048 0.000 0.270 278 S C -1.449 173.163 174.600 0.020 0.000 1.152 278 S CA -1.109 57.102 58.200 0.018 0.000 0.835 278 S CB 0.781 63.976 63.200 -0.008 0.000 1.115 278 S HN 0.283 nan 8.310 nan 0.000 0.459 279 I N 1.151 121.762 120.570 0.068 0.000 2.498 279 I HA 0.586 4.728 4.170 -0.048 0.000 0.290 279 I C -0.349 175.852 176.117 0.142 0.000 1.032 279 I CA -0.654 60.686 61.300 0.067 0.000 1.073 279 I CB 2.190 40.277 38.000 0.145 0.000 1.251 279 I HN 0.591 nan 8.210 nan 0.000 0.426 280 R N 5.226 125.737 120.500 0.019 0.000 2.533 280 R HA 0.493 4.804 4.340 -0.048 0.000 0.288 280 R C -1.728 174.556 176.300 -0.027 0.000 1.039 280 R CA -0.625 55.556 56.100 0.135 0.000 0.909 280 R CB 2.366 32.712 30.300 0.077 0.000 1.195 280 R HN 0.388 nan 8.270 nan 0.000 0.438 281 F N 2.319 122.433 119.950 0.273 0.000 2.325 281 F HA 0.395 4.889 4.527 -0.054 0.000 0.369 281 F C 1.205 177.156 175.800 0.252 0.000 1.095 281 F CA 0.496 58.593 58.000 0.161 0.000 1.082 281 F CB 1.744 40.699 39.000 -0.075 0.000 1.289 281 F HN 0.886 nan 8.300 nan 0.000 0.462 282 G N 3.726 112.717 108.800 0.318 0.000 2.588 282 G HA2 -0.362 3.569 3.960 -0.048 0.000 0.273 282 G HA3 -0.362 3.569 3.960 -0.048 0.000 0.273 282 G C 0.258 175.273 174.900 0.193 0.000 1.211 282 G CA 0.433 45.701 45.100 0.280 0.000 0.958 282 G HN 0.663 nan 8.290 nan 0.000 0.543 283 D N 1.093 121.602 120.400 0.182 0.000 2.479 283 D HA 0.410 5.021 4.640 -0.048 0.000 0.218 283 D C 0.442 176.805 176.300 0.105 0.000 1.177 283 D CA 0.317 54.385 54.000 0.113 0.000 0.830 283 D CB 0.484 41.332 40.800 0.080 0.000 1.014 283 D HN 0.675 nan 8.370 nan 0.000 0.503 284 E N 0.800 121.103 120.200 0.173 0.000 2.199 284 E HA 0.291 4.612 4.350 -0.048 0.000 0.269 284 E C -0.402 176.259 176.600 0.102 0.000 0.899 284 E CA -0.822 55.621 56.400 0.071 0.000 0.772 284 E CB 1.915 31.617 29.700 0.004 0.000 1.155 284 E HN 0.099 nan 8.360 nan 0.000 0.408 285 E N 2.095 122.254 120.200 -0.069 0.000 2.313 285 E HA 0.352 4.674 4.350 -0.048 0.000 0.272 285 E C -0.733 175.734 176.600 -0.222 0.000 1.038 285 E CA -0.020 56.387 56.400 0.012 0.000 0.863 285 E CB 0.928 30.625 29.700 -0.005 0.000 1.060 285 E HN 0.256 nan 8.360 nan 0.000 0.402 286 F N 0.033 120.053 119.950 0.116 0.000 2.691 286 F HA 0.291 4.793 4.527 -0.043 0.000 0.334 286 F C 1.225 177.082 175.800 0.095 0.000 1.107 286 F CA -0.750 57.321 58.000 0.119 0.000 0.991 286 F CB 0.914 40.027 39.000 0.189 0.000 1.400 286 F HN 0.202 nan 8.300 nan 0.000 0.503 287 K N -0.228 120.358 120.400 0.310 0.000 2.190 287 K HA 0.195 4.486 4.320 -0.048 0.000 0.202 287 K C -0.347 176.371 176.600 0.197 0.000 1.045 287 K CA 0.611 57.012 56.287 0.190 0.000 0.976 287 K CB 0.272 32.852 32.500 0.134 0.000 0.849 287 K HN 0.510 nan 8.250 nan 0.000 0.468 288 E N -0.374 119.958 120.200 0.220 0.000 2.355 288 E HA 0.673 4.995 4.350 -0.048 0.000 0.261 288 E C -1.358 175.366 176.600 0.206 0.000 0.943 288 E CA -1.267 55.240 56.400 0.178 0.000 0.806 288 E CB 2.028 31.797 29.700 0.113 0.000 1.286 288 E HN 0.085 nan 8.360 nan 0.000 0.424 289 A N 1.552 124.494 122.820 0.203 0.000 2.530 289 A HA 0.490 4.782 4.320 -0.048 0.000 0.279 289 A C -1.029 176.671 177.584 0.192 0.000 1.109 289 A CA -0.758 51.447 52.037 0.281 0.000 0.763 289 A CB 0.654 19.842 19.000 0.312 0.000 1.257 289 A HN 0.372 nan 8.150 nan 0.000 0.424 290 K N 1.637 122.080 120.400 0.072 0.000 2.419 290 K HA 0.695 4.987 4.320 -0.048 0.000 0.246 290 K C -2.813 173.809 176.600 0.037 0.000 1.037 290 K CA -2.000 54.296 56.287 0.015 0.000 0.982 290 K CB 0.332 32.794 32.500 -0.064 0.000 1.283 290 K HN 0.356 nan 8.250 nan 0.000 0.500 291 P HA 0.226 nan 4.420 nan 0.000 0.272 291 P C -0.965 176.320 177.300 -0.025 0.000 1.223 291 P CA 0.225 63.322 63.100 -0.006 0.000 0.784 291 P CB 0.665 32.337 31.700 -0.045 0.000 0.923 292 G N 0.499 109.303 108.800 0.007 0.000 3.226 292 G HA2 0.473 4.405 3.960 -0.048 0.000 0.685 292 G HA3 0.473 4.405 3.960 -0.048 0.000 0.685 292 G C -0.143 174.810 174.900 0.089 0.000 1.207 292 G CA -0.056 45.039 45.100 -0.008 0.000 0.877 292 G HN 0.890 nan 8.290 nan 0.000 0.585 293 G N -0.226 108.659 108.800 0.142 0.000 2.828 293 G HA2 0.190 4.121 3.960 -0.048 0.000 0.463 293 G HA3 0.190 4.121 3.960 -0.048 0.000 0.463 293 G C -0.188 174.890 174.900 0.297 0.000 1.394 293 G CA -0.213 45.087 45.100 0.333 0.000 0.862 293 G HN 1.618 nan 8.290 nan 0.000 0.540 294 L N 0.139 121.479 121.223 0.194 0.000 2.280 294 L HA 0.620 4.932 4.340 -0.048 0.000 0.287 294 L C 0.727 177.408 176.870 -0.315 0.000 1.023 294 L CA -0.952 53.764 54.840 -0.208 0.000 0.819 294 L CB 1.377 43.015 42.059 -0.702 0.000 1.212 294 L HN 0.621 nan 8.230 nan 0.000 0.420 295 V N 3.507 123.129 119.914 -0.487 0.000 2.713 295 V HA 0.799 4.890 4.120 -0.048 0.000 0.307 295 V C -0.045 175.750 176.094 -0.499 0.000 1.052 295 V CA -0.362 61.395 62.300 -0.904 0.000 0.967 295 V CB 1.908 33.133 31.823 -0.998 0.000 1.019 295 V HN 0.819 nan 8.190 nan 0.000 0.459 296 A N 6.974 129.535 122.820 -0.432 0.000 2.287 296 A HA 0.775 5.067 4.320 -0.048 0.000 0.317 296 A C -0.912 176.556 177.584 -0.193 0.000 1.220 296 A CA -0.578 51.331 52.037 -0.214 0.000 0.835 296 A CB 0.618 19.558 19.000 -0.100 0.000 1.180 296 A HN 0.609 nan 8.150 nan 0.000 0.500 297 I N 2.707 123.175 120.570 -0.169 0.000 2.378 297 I HA 0.401 4.542 4.170 -0.048 0.000 0.291 297 I C 0.868 176.927 176.117 -0.096 0.000 0.992 297 I CA -0.327 60.884 61.300 -0.147 0.000 1.154 297 I CB 1.002 38.878 38.000 -0.207 0.000 1.315 297 I HN 0.708 nan 8.210 nan 0.000 0.448 298 G N 4.391 113.147 108.800 -0.074 0.000 2.377 298 G HA2 0.606 4.538 3.960 -0.048 0.000 0.299 298 G HA3 0.606 4.538 3.960 -0.048 0.000 0.299 298 G C 0.095 174.942 174.900 -0.089 0.000 1.150 298 G CA -0.068 44.982 45.100 -0.083 0.000 0.847 298 G HN 0.680 nan 8.290 nan 0.000 0.501 299 T N -1.418 113.075 114.554 -0.101 0.000 2.633 299 T HA 0.462 4.784 4.350 -0.048 0.000 0.262 299 T C -0.137 174.472 174.700 -0.152 0.000 0.920 299 T CA -0.668 61.419 62.100 -0.023 0.000 1.062 299 T CB 1.172 70.058 68.868 0.030 0.000 1.390 299 T HN 0.361 nan 8.240 nan 0.000 0.549 300 Y N -0.243 120.048 120.300 -0.014 0.000 2.716 300 Y HA 0.496 5.017 4.550 -0.048 0.000 0.260 300 Y C 0.186 176.080 175.900 -0.009 0.000 1.141 300 Y CA -0.768 57.325 58.100 -0.012 0.000 1.168 300 Y CB 0.350 38.809 38.460 -0.001 0.000 1.189 300 Y HN 0.202 nan 8.280 nan 0.000 0.549 301 L N 0.889 122.168 121.223 0.094 0.000 2.395 301 L HA 0.147 4.459 4.340 -0.048 0.000 0.269 301 L C 0.356 177.244 176.870 0.030 0.000 1.133 301 L CA -0.524 54.351 54.840 0.059 0.000 0.812 301 L CB 0.562 42.637 42.059 0.027 0.000 1.125 301 L HN 0.156 nan 8.230 nan 0.000 0.452 302 D N 3.843 124.264 120.400 0.035 0.000 2.434 302 D HA 0.018 4.629 4.640 -0.048 0.000 0.252 302 D C -1.703 174.607 176.300 0.015 0.000 1.185 302 D CA -1.590 52.427 54.000 0.027 0.000 0.886 302 D CB 1.441 42.265 40.800 0.040 0.000 1.148 302 D HN 0.183 nan 8.370 nan 0.000 0.483 303 P HA -0.167 nan 4.420 nan 0.000 0.218 303 P C 1.234 178.544 177.300 0.016 0.000 1.150 303 P CA 1.124 64.230 63.100 0.010 0.000 0.841 303 P CB 0.210 31.915 31.700 0.009 0.000 0.784 304 S N -1.255 114.457 115.700 0.020 0.000 2.419 304 S HA -0.116 4.325 4.470 -0.048 0.000 0.235 304 S C 1.620 176.222 174.600 0.003 0.000 1.019 304 S CA 0.867 59.077 58.200 0.016 0.000 0.982 304 S CB -0.738 62.474 63.200 0.021 0.000 0.789 304 S HN 0.061 nan 8.310 nan 0.000 0.490 305 L N 1.493 122.716 121.223 -0.001 0.000 2.109 305 L HA -0.019 4.293 4.340 -0.048 0.000 0.207 305 L C 2.690 179.540 176.870 -0.033 0.000 1.086 305 L CA 1.855 56.686 54.840 -0.015 0.000 0.760 305 L CB -1.562 40.491 42.059 -0.010 0.000 0.910 305 L HN 0.503 nan 8.230 nan 0.000 0.437 306 T N -4.229 110.305 114.554 -0.033 0.000 3.033 306 T HA 0.016 4.337 4.350 -0.048 0.000 0.248 306 T C 1.075 175.749 174.700 -0.043 0.000 1.040 306 T CA -0.304 61.758 62.100 -0.064 0.000 1.133 306 T CB -0.076 68.749 68.868 -0.072 0.000 0.895 306 T HN -0.084 nan 8.240 nan 0.000 0.465 307 K N 2.893 123.295 120.400 0.004 0.000 2.490 307 K HA 0.069 4.360 4.320 -0.048 0.000 0.264 307 K C 0.560 177.171 176.600 0.018 0.000 1.027 307 K CA 0.838 57.144 56.287 0.031 0.000 1.139 307 K CB -1.124 31.391 32.500 0.024 0.000 0.792 307 K HN 0.908 nan 8.250 nan 0.000 0.479 308 A N 5.319 128.170 122.820 0.052 0.000 2.362 308 A HA -0.179 4.113 4.320 -0.048 0.000 0.290 308 A C 0.129 177.702 177.584 -0.019 0.000 1.441 308 A CA 1.087 53.145 52.037 0.034 0.000 0.743 308 A CB -1.839 17.175 19.000 0.024 0.000 1.125 308 A HN 0.963 nan 8.150 nan 0.000 0.378 309 D N -1.311 119.045 120.400 -0.074 0.000 2.702 309 D HA -0.261 4.351 4.640 -0.048 0.000 0.233 309 D C 0.821 177.059 176.300 -0.103 0.000 1.164 309 D CA 1.521 55.438 54.000 -0.138 0.000 0.638 309 D CB -1.178 39.557 40.800 -0.108 0.000 1.041 309 D HN 0.934 nan 8.370 nan 0.000 0.422 310 N N -0.038 118.610 118.700 -0.086 0.000 2.223 310 N HA -0.112 4.600 4.740 -0.048 0.000 0.185 310 N C 1.544 177.010 175.510 -0.073 0.000 1.016 310 N CA 0.961 53.973 53.050 -0.063 0.000 0.863 310 N CB -0.025 38.433 38.487 -0.048 0.000 0.983 310 N HN 0.426 nan 8.380 nan 0.000 0.429 311 L N 0.256 121.416 121.223 -0.106 0.000 2.629 311 L HA 0.223 4.534 4.340 -0.048 0.000 0.230 311 L C 0.098 176.895 176.870 -0.123 0.000 1.151 311 L CA -0.595 54.181 54.840 -0.107 0.000 0.924 311 L CB -0.325 41.658 42.059 -0.125 0.000 1.137 311 L HN 0.194 nan 8.230 nan 0.000 0.457 312 L N 1.474 122.621 121.223 -0.127 0.000 2.540 312 L HA 0.261 4.573 4.340 -0.048 0.000 0.276 312 L C 1.132 177.939 176.870 -0.105 0.000 1.212 312 L CA 1.330 56.093 54.840 -0.128 0.000 0.893 312 L CB 0.244 42.233 42.059 -0.116 0.000 1.138 312 L HN 0.358 nan 8.230 nan 0.000 0.491 313 G N 2.308 111.041 108.800 -0.112 0.000 2.213 313 G HA2 -0.250 3.681 3.960 -0.048 0.000 0.236 313 G HA3 -0.250 3.681 3.960 -0.048 0.000 0.236 313 G C 0.498 175.340 174.900 -0.096 0.000 0.991 313 G CA 0.239 45.281 45.100 -0.097 0.000 0.629 313 G HN 0.903 nan 8.290 nan 0.000 0.517 314 S N 0.183 115.818 115.700 -0.108 0.000 2.661 314 S HA 0.767 5.209 4.470 -0.048 0.000 0.265 314 S C 0.385 174.902 174.600 -0.139 0.000 1.225 314 S CA 0.359 58.496 58.200 -0.106 0.000 0.986 314 S CB 1.173 64.311 63.200 -0.104 0.000 1.008 314 S HN 1.294 nan 8.310 nan 0.000 0.565 315 I N -1.774 118.713 120.570 -0.138 0.000 2.865 315 I HA 0.673 4.814 4.170 -0.048 0.000 0.302 315 I C -1.458 174.554 176.117 -0.174 0.000 1.140 315 I CA -1.045 60.138 61.300 -0.195 0.000 1.021 315 I CB 1.534 39.399 38.000 -0.226 0.000 1.233 315 I HN 0.456 nan 8.210 nan 0.000 0.427 316 I N 3.576 124.022 120.570 -0.207 0.000 2.474 316 I HA 0.607 4.748 4.170 -0.048 0.000 0.294 316 I C 0.032 176.134 176.117 -0.025 0.000 1.005 316 I CA -0.249 60.936 61.300 -0.191 0.000 1.113 316 I CB 2.259 40.038 38.000 -0.368 0.000 1.289 316 I HN 0.927 nan 8.210 nan 0.000 0.436 317 T N 3.487 118.081 114.554 0.066 0.000 2.696 317 T HA 0.584 4.905 4.350 -0.048 0.000 0.291 317 T C -0.523 174.307 174.700 0.217 0.000 1.095 317 T CA -0.922 61.311 62.100 0.222 0.000 1.026 317 T CB 0.964 69.888 68.868 0.094 0.000 1.390 317 T HN 0.297 nan 8.240 nan 0.000 0.513 318 L N 1.486 122.810 121.223 0.169 0.000 2.417 318 L HA 0.491 4.802 4.340 -0.048 0.000 0.268 318 L C 2.221 179.151 176.870 0.100 0.000 1.158 318 L CA -0.398 54.522 54.840 0.133 0.000 0.819 318 L CB 0.495 42.594 42.059 0.067 0.000 1.112 318 L HN 1.050 nan 8.230 nan 0.000 0.458 319 A N 1.368 124.269 122.820 0.135 0.000 1.958 319 A HA -0.200 4.092 4.320 -0.048 0.000 0.221 319 A C 1.455 179.185 177.584 0.242 0.000 1.178 319 A CA 1.904 54.082 52.037 0.234 0.000 0.642 319 A CB -0.371 18.847 19.000 0.364 0.000 0.816 319 A HN 0.874 nan 8.150 nan 0.000 0.453 320 D N -0.394 120.096 120.400 0.151 0.000 2.349 320 D HA 0.330 4.942 4.640 -0.048 0.000 0.214 320 D C 0.792 177.145 176.300 0.089 0.000 1.063 320 D CA 0.667 54.739 54.000 0.120 0.000 0.847 320 D CB -0.214 40.635 40.800 0.082 0.000 0.933 320 D HN 0.452 nan 8.370 nan 0.000 0.513 321 A N 1.341 124.208 122.820 0.078 0.000 2.561 321 A HA 0.004 4.295 4.320 -0.048 0.000 0.234 321 A C 0.504 178.128 177.584 0.068 0.000 1.055 321 A CA 0.317 52.391 52.037 0.062 0.000 0.756 321 A CB 0.363 19.398 19.000 0.059 0.000 0.986 321 A HN -0.114 nan 8.150 nan 0.000 0.505 322 E N 1.931 122.168 120.200 0.061 0.000 2.028 322 E HA 0.389 4.710 4.350 -0.048 0.000 0.266 322 E C -1.181 175.456 176.600 0.062 0.000 0.962 322 E CA -0.170 56.266 56.400 0.060 0.000 0.784 322 E CB 1.089 30.819 29.700 0.049 0.000 1.114 322 E HN 0.283 nan 8.360 nan 0.000 0.414 323 V N 4.949 124.903 119.914 0.067 0.000 2.444 323 V HA 0.295 4.386 4.120 -0.048 0.000 0.294 323 V C -2.095 174.031 176.094 0.054 0.000 1.022 323 V CA -1.964 60.380 62.300 0.074 0.000 0.850 323 V CB 1.908 33.797 31.823 0.110 0.000 0.992 323 V HN 0.425 nan 8.190 nan 0.000 0.426 324 P HA 0.265 nan 4.420 nan 0.000 0.270 324 P C -1.011 176.298 177.300 0.015 0.000 1.223 324 P CA -0.107 63.008 63.100 0.024 0.000 0.785 324 P CB 0.613 32.314 31.700 0.002 0.000 0.923 325 V N 2.909 122.833 119.914 0.017 0.000 2.498 325 V HA 0.258 4.350 4.120 -0.048 0.000 0.283 325 V C -0.319 175.772 176.094 -0.004 0.000 1.015 325 V CA -0.349 61.934 62.300 -0.030 0.000 0.867 325 V CB 0.833 32.647 31.823 -0.015 0.000 1.025 325 V HN 0.329 nan 8.190 nan 0.000 0.441 326 L N 2.694 123.884 121.223 -0.055 0.000 2.331 326 L HA 0.525 4.836 4.340 -0.048 0.000 0.275 326 L C 0.087 176.933 176.870 -0.040 0.000 1.022 326 L CA -0.340 54.517 54.840 0.028 0.000 0.812 326 L CB 1.883 43.950 42.059 0.013 0.000 1.257 326 L HN 0.586 nan 8.230 nan 0.000 0.435 327 W N 0.188 121.455 121.300 -0.055 0.000 3.220 327 W HA 0.230 4.864 4.660 -0.043 0.000 0.328 327 W C 0.099 176.591 176.519 -0.046 0.000 1.205 327 W CA -0.182 57.128 57.345 -0.058 0.000 1.773 327 W CB 0.339 29.774 29.460 -0.043 0.000 1.086 327 W HN 0.379 nan 8.180 nan 0.000 0.622 328 N N 1.316 120.112 118.700 0.160 0.000 2.454 328 N HA 0.401 5.112 4.740 -0.048 0.000 0.291 328 N C -1.091 174.439 175.510 0.033 0.000 1.079 328 N CA -0.419 52.681 53.050 0.082 0.000 0.893 328 N CB 2.349 40.882 38.487 0.075 0.000 1.512 328 N HN -0.110 nan 8.380 nan 0.000 0.497 329 I N -1.766 118.807 120.570 0.005 0.000 2.785 329 I HA 0.614 4.755 4.170 -0.048 0.000 0.302 329 I C -0.422 175.686 176.117 -0.015 0.000 1.069 329 I CA -1.047 60.243 61.300 -0.017 0.000 1.045 329 I CB 2.684 40.659 38.000 -0.043 0.000 1.236 329 I HN 0.140 nan 8.210 nan 0.000 0.429 330 R N 4.291 124.779 120.500 -0.020 0.000 2.338 330 R HA 0.765 5.077 4.340 -0.048 0.000 0.317 330 R C -1.513 174.775 176.300 -0.020 0.000 0.968 330 R CA -0.565 55.527 56.100 -0.013 0.000 0.849 330 R CB 1.367 31.659 30.300 -0.015 0.000 1.128 330 R HN 0.735 nan 8.270 nan 0.000 0.448 331 I N 3.622 124.193 120.570 0.001 0.000 2.466 331 I HA 0.268 4.410 4.170 -0.048 0.000 0.289 331 I C -0.396 175.736 176.117 0.025 0.000 1.026 331 I CA -0.789 60.512 61.300 0.002 0.000 1.078 331 I CB 2.079 40.085 38.000 0.010 0.000 1.249 331 I HN 0.399 nan 8.210 nan 0.000 0.429 332 K N 7.316 127.679 120.400 -0.061 0.000 2.273 332 K HA 0.281 4.572 4.320 -0.048 0.000 0.287 332 K C -1.143 175.309 176.600 -0.247 0.000 1.089 332 K CA -0.355 55.836 56.287 -0.159 0.000 0.909 332 K CB 0.390 32.787 32.500 -0.171 0.000 1.123 332 K HN 0.556 nan 8.250 nan 0.000 0.473 333 Y N 1.381 121.512 120.300 -0.282 0.000 2.568 333 Y HA 0.589 5.108 4.550 -0.051 0.000 0.327 333 Y C -0.789 174.849 175.900 -0.436 0.000 1.163 333 Y CA -1.260 56.599 58.100 -0.401 0.000 1.219 333 Y CB 1.217 39.523 38.460 -0.257 0.000 1.308 333 Y HN 0.314 nan 8.280 nan 0.000 0.503 334 N N 2.147 120.618 118.700 -0.382 0.000 2.549 334 N HA 0.357 5.068 4.740 -0.048 0.000 0.290 334 N C -1.394 174.091 175.510 -0.042 0.000 1.122 334 N CA -0.416 52.461 53.050 -0.288 0.000 0.885 334 N CB 2.156 40.377 38.487 -0.442 0.000 1.455 334 N HN 0.692 nan 8.380 nan 0.000 0.521 335 L N 1.074 122.375 121.223 0.130 0.000 2.472 335 L HA 0.544 4.855 4.340 -0.048 0.000 0.256 335 L C 0.379 177.329 176.870 0.133 0.000 1.111 335 L CA -0.814 54.104 54.840 0.131 0.000 0.800 335 L CB 0.786 42.918 42.059 0.122 0.000 1.286 335 L HN 0.203 nan 8.230 nan 0.000 0.479 336 L N 0.017 121.315 121.223 0.125 0.000 2.344 336 L HA 0.175 4.486 4.340 -0.048 0.000 0.272 336 L C 0.797 177.721 176.870 0.091 0.000 1.035 336 L CA -0.548 54.366 54.840 0.123 0.000 0.807 336 L CB 1.717 43.851 42.059 0.125 0.000 1.237 336 L HN 0.583 nan 8.230 nan 0.000 0.442 337 E N 1.438 121.688 120.200 0.084 0.000 2.047 337 E HA -0.090 4.232 4.350 -0.048 0.000 0.191 337 E C -0.193 176.439 176.600 0.052 0.000 0.987 337 E CA 1.062 57.499 56.400 0.062 0.000 0.799 337 E CB -0.033 29.702 29.700 0.057 0.000 0.752 337 E HN 0.480 nan 8.360 nan 0.000 0.449 338 R N -1.283 119.252 120.500 0.058 0.000 2.663 338 R HA 0.667 4.978 4.340 -0.048 0.000 0.267 338 R C -1.448 174.888 176.300 0.060 0.000 1.038 338 R CA -0.811 55.318 56.100 0.048 0.000 0.886 338 R CB 1.407 31.729 30.300 0.035 0.000 1.249 338 R HN -0.012 nan 8.270 nan 0.000 0.463 339 V N 1.462 121.407 119.914 0.052 0.000 2.850 339 V HA 0.361 4.452 4.120 -0.048 0.000 0.315 339 V C -0.178 175.945 176.094 0.048 0.000 1.064 339 V CA -0.935 61.401 62.300 0.060 0.000 0.979 339 V CB 2.170 34.026 31.823 0.056 0.000 1.039 339 V HN 0.612 nan 8.190 nan 0.000 0.452 340 V N 6.185 126.132 119.914 0.055 0.000 2.416 340 V HA 0.263 4.354 4.120 -0.048 0.000 0.260 340 V C 1.162 177.269 176.094 0.021 0.000 1.018 340 V CA 0.636 62.958 62.300 0.038 0.000 1.120 340 V CB -0.604 31.244 31.823 0.042 0.000 1.081 340 V HN 0.998 nan 8.190 nan 0.000 0.474 341 G N 3.257 112.064 108.800 0.012 0.000 2.616 341 G HA2 0.447 4.378 3.960 -0.048 0.000 0.268 341 G HA3 0.447 4.378 3.960 -0.048 0.000 0.268 341 G C 1.014 175.911 174.900 -0.005 0.000 1.213 341 G CA 0.012 45.115 45.100 0.004 0.000 0.926 341 G HN 0.812 nan 8.290 nan 0.000 0.523 342 A N 0.290 123.105 122.820 -0.008 0.000 1.834 342 A HA -0.089 4.202 4.320 -0.048 0.000 0.216 342 A C 2.251 179.826 177.584 -0.015 0.000 1.203 342 A CA 2.257 54.287 52.037 -0.013 0.000 0.621 342 A CB -0.769 18.224 19.000 -0.012 0.000 0.841 342 A HN 0.684 nan 8.150 nan 0.000 0.446 343 K N -0.652 119.741 120.400 -0.012 0.000 1.965 343 K HA -0.235 4.056 4.320 -0.048 0.000 0.218 343 K C 1.839 178.431 176.600 -0.012 0.000 1.048 343 K CA 2.177 58.457 56.287 -0.011 0.000 0.960 343 K CB -0.112 32.383 32.500 -0.009 0.000 0.732 343 K HN 0.623 nan 8.250 nan 0.000 0.444 344 E N -1.822 118.373 120.200 -0.009 0.000 2.940 344 E HA 0.235 4.556 4.350 -0.048 0.000 0.203 344 E C 0.860 177.458 176.600 -0.004 0.000 0.995 344 E CA 0.087 56.482 56.400 -0.009 0.000 1.396 344 E CB 0.370 30.065 29.700 -0.008 0.000 1.310 344 E HN 0.088 nan 8.360 nan 0.000 0.613 345 M N -0.289 119.310 119.600 -0.001 0.000 3.744 345 M HA 0.548 4.999 4.480 -0.048 0.000 0.367 345 M C -1.696 174.607 176.300 0.006 0.000 1.682 345 M CA -0.729 54.574 55.300 0.006 0.000 0.802 345 M CB 1.822 34.426 32.600 0.006 0.000 2.399 345 M HN 0.125 nan 8.290 nan 0.000 0.449 346 L N 1.347 122.576 121.223 0.010 0.000 3.206 346 L HA 0.311 4.623 4.340 -0.048 0.000 0.260 346 L C -1.386 175.493 176.870 0.014 0.000 0.959 346 L CA -0.226 54.619 54.840 0.008 0.000 1.061 346 L CB 1.766 43.828 42.059 0.006 0.000 1.760 346 L HN 0.788 nan 8.230 nan 0.000 0.495 347 K N 3.124 123.531 120.400 0.011 0.000 2.183 347 K HA 0.650 4.941 4.320 -0.048 0.000 0.274 347 K C -0.314 176.294 176.600 0.013 0.000 1.009 347 K CA -0.538 55.758 56.287 0.015 0.000 0.888 347 K CB 1.655 34.163 32.500 0.012 0.000 1.078 347 K HN 0.451 nan 8.250 nan 0.000 0.459 348 V N 1.575 121.501 119.914 0.021 0.000 2.583 348 V HA 0.260 4.351 4.120 -0.048 0.000 0.287 348 V C -0.454 175.647 176.094 0.012 0.000 1.051 348 V CA -0.546 61.764 62.300 0.018 0.000 1.010 348 V CB 1.007 32.848 31.823 0.030 0.000 0.988 348 V HN 0.716 nan 8.190 nan 0.000 0.478 349 D N 6.431 126.832 120.400 0.001 0.000 2.304 349 D HA 0.384 4.996 4.640 -0.048 0.000 0.247 349 D C -2.167 174.130 176.300 -0.005 0.000 1.089 349 D CA -0.947 53.052 54.000 -0.002 0.000 0.910 349 D CB 1.103 41.896 40.800 -0.011 0.000 1.199 349 D HN 0.631 nan 8.370 nan 0.000 0.426 350 P HA 0.052 nan 4.420 nan 0.000 0.270 350 P C 0.122 177.401 177.300 -0.035 0.000 1.223 350 P CA -0.479 62.621 63.100 -0.000 0.000 0.785 350 P CB 0.835 32.549 31.700 0.022 0.000 0.923 351 I N 1.620 122.139 120.570 -0.085 0.000 2.664 351 I HA -0.030 4.111 4.170 -0.048 0.000 0.284 351 I C 1.460 177.537 176.117 -0.067 0.000 1.154 351 I CA 0.481 61.708 61.300 -0.122 0.000 1.402 351 I CB -0.908 36.932 38.000 -0.267 0.000 1.395 351 I HN 0.490 nan 8.210 nan 0.000 0.545 352 R N 5.673 126.145 120.500 -0.047 0.000 2.428 352 R HA 0.758 5.070 4.340 -0.048 0.000 0.294 352 R C -0.249 176.035 176.300 -0.025 0.000 1.000 352 R CA -0.719 55.365 56.100 -0.027 0.000 0.960 352 R CB 0.962 31.250 30.300 -0.020 0.000 1.076 352 R HN 0.576 nan 8.270 nan 0.000 0.475 353 A N 2.498 125.308 122.820 -0.016 0.000 2.483 353 A HA 0.189 4.480 4.320 -0.048 0.000 0.238 353 A C 0.137 177.718 177.584 -0.006 0.000 1.070 353 A CA 0.160 52.191 52.037 -0.011 0.000 0.770 353 A CB -0.125 18.872 19.000 -0.005 0.000 1.008 353 A HN 1.019 nan 8.150 nan 0.000 0.497 354 K N -1.270 119.129 120.400 -0.001 0.000 3.587 354 K HA -0.187 4.104 4.320 -0.048 0.000 0.294 354 K C 0.274 176.880 176.600 0.010 0.000 1.279 354 K CA 1.765 58.055 56.287 0.006 0.000 1.004 354 K CB -1.283 31.220 32.500 0.005 0.000 1.276 354 K HN 1.070 nan 8.250 nan 0.000 0.459 355 E N 1.432 121.635 120.200 0.005 0.000 2.331 355 E HA 0.241 4.562 4.350 -0.048 0.000 0.272 355 E C -0.167 176.455 176.600 0.037 0.000 1.036 355 E CA -0.366 56.042 56.400 0.014 0.000 0.864 355 E CB 1.410 31.109 29.700 -0.001 0.000 1.035 355 E HN 0.063 nan 8.360 nan 0.000 0.408 356 T N 3.469 118.066 114.554 0.071 0.000 2.817 356 T HA 0.405 4.726 4.350 -0.048 0.000 0.293 356 T C -0.416 174.419 174.700 0.226 0.000 0.964 356 T CA -0.476 61.703 62.100 0.131 0.000 1.085 356 T CB 0.052 69.020 68.868 0.167 0.000 0.921 356 T HN 0.462 nan 8.240 nan 0.000 0.502 357 L N 3.992 125.328 121.223 0.188 0.000 2.257 357 L HA 0.677 4.989 4.340 -0.048 0.000 0.257 357 L C -0.227 176.664 176.870 0.036 0.000 1.033 357 L CA -1.242 53.734 54.840 0.226 0.000 0.835 357 L CB 2.217 44.329 42.059 0.088 0.000 1.398 357 L HN 0.549 nan 8.230 nan 0.000 0.429 358 M N 2.426 121.979 119.600 -0.079 0.000 2.053 358 M HA 0.430 4.882 4.480 -0.048 0.000 0.297 358 M C -1.808 174.390 176.300 -0.171 0.000 0.921 358 M CA -0.700 54.394 55.300 -0.344 0.000 0.918 358 M CB 0.986 33.063 32.600 -0.871 0.000 1.499 358 M HN 0.273 nan 8.290 nan 0.000 0.422 359 L N 2.690 123.830 121.223 -0.138 0.000 2.360 359 L HA 0.615 4.926 4.340 -0.048 0.000 0.271 359 L C -0.053 176.763 176.870 -0.090 0.000 1.057 359 L CA -0.350 54.440 54.840 -0.083 0.000 0.803 359 L CB 1.521 43.540 42.059 -0.067 0.000 1.207 359 L HN 0.669 nan 8.230 nan 0.000 0.445 360 S N 1.221 116.893 115.700 -0.047 0.000 2.478 360 S HA 0.679 5.120 4.470 -0.048 0.000 0.312 360 S C -0.369 174.228 174.600 -0.005 0.000 1.094 360 S CA -0.550 57.629 58.200 -0.035 0.000 1.081 360 S CB 2.057 65.246 63.200 -0.018 0.000 1.007 360 S HN 0.289 nan 8.310 nan 0.000 0.475 361 V N 3.255 123.172 119.914 0.005 0.000 2.443 361 V HA 0.692 4.783 4.120 -0.048 0.000 0.293 361 V C 0.961 177.148 176.094 0.155 0.000 1.021 361 V CA 0.317 62.651 62.300 0.057 0.000 0.848 361 V CB 0.656 32.484 31.823 0.009 0.000 0.998 361 V HN 1.200 nan 8.190 nan 0.000 0.424 362 G N 5.327 114.273 108.800 0.243 0.000 2.629 362 G HA2 -0.345 3.587 3.960 -0.048 0.000 0.313 362 G HA3 -0.345 3.587 3.960 -0.048 0.000 0.313 362 G C 1.074 176.005 174.900 0.051 0.000 1.217 362 G CA 0.944 46.171 45.100 0.212 0.000 0.994 362 G HN 1.503 nan 8.290 nan 0.000 0.549 363 S N -0.185 115.510 115.700 -0.009 0.000 2.556 363 S HA 0.545 4.986 4.470 -0.048 0.000 0.216 363 S C 0.880 175.449 174.600 -0.053 0.000 0.970 363 S CA 0.960 59.129 58.200 -0.051 0.000 0.912 363 S CB 0.326 63.469 63.200 -0.094 0.000 0.790 363 S HN 0.998 nan 8.310 nan 0.000 0.504 364 S N 2.679 118.361 115.700 -0.030 0.000 2.610 364 S HA 0.614 5.055 4.470 -0.048 0.000 0.273 364 S C 0.035 174.592 174.600 -0.072 0.000 1.274 364 S CA -0.394 57.772 58.200 -0.056 0.000 1.023 364 S CB 1.236 64.408 63.200 -0.046 0.000 0.962 364 S HN 0.651 nan 8.310 nan 0.000 0.523 365 T N -0.916 113.575 114.554 -0.106 0.000 3.566 365 T HA 0.535 4.856 4.350 -0.048 0.000 0.330 365 T C -0.655 173.945 174.700 -0.167 0.000 0.877 365 T CA -0.862 61.156 62.100 -0.137 0.000 1.030 365 T CB 0.383 69.162 68.868 -0.149 0.000 1.033 365 T HN 0.638 nan 8.240 nan 0.000 0.463 366 T N 1.234 115.683 114.554 -0.174 0.000 2.916 366 T HA 0.818 5.140 4.350 -0.048 0.000 0.292 366 T C -0.555 174.031 174.700 -0.190 0.000 1.064 366 T CA -1.069 60.926 62.100 -0.175 0.000 1.011 366 T CB 1.309 70.073 68.868 -0.173 0.000 1.152 366 T HN 0.455 nan 8.240 nan 0.000 0.510 367 L N 0.789 121.915 121.223 -0.162 0.000 2.322 367 L HA 0.835 5.146 4.340 -0.048 0.000 0.279 367 L C 0.735 177.571 176.870 -0.057 0.000 1.036 367 L CA -0.161 54.597 54.840 -0.137 0.000 0.807 367 L CB 1.414 43.413 42.059 -0.100 0.000 1.226 367 L HN 1.142 nan 8.230 nan 0.000 0.433 368 G N 1.903 110.686 108.800 -0.028 0.000 2.660 368 G HA2 0.719 4.650 3.960 -0.048 0.000 0.294 368 G HA3 0.719 4.650 3.960 -0.048 0.000 0.294 368 G C -1.372 173.543 174.900 0.025 0.000 1.369 368 G CA -0.542 44.558 45.100 0.001 0.000 0.912 368 G HN 0.267 nan 8.290 nan 0.000 0.479 369 I N 1.038 121.626 120.570 0.031 0.000 2.392 369 I HA 0.313 4.454 4.170 -0.048 0.000 0.295 369 I C 0.481 176.607 176.117 0.016 0.000 0.985 369 I CA -1.059 60.260 61.300 0.031 0.000 1.221 369 I CB 1.289 39.309 38.000 0.034 0.000 1.366 369 I HN 0.067 nan 8.210 nan 0.000 0.467 370 V N 5.764 125.682 119.914 0.006 0.000 2.572 370 V HA 0.123 4.214 4.120 -0.048 0.000 0.291 370 V C 1.425 177.519 176.094 -0.000 0.000 1.039 370 V CA 0.323 62.618 62.300 -0.008 0.000 1.055 370 V CB 0.832 32.640 31.823 -0.025 0.000 0.969 370 V HN 1.029 nan 8.190 nan 0.000 0.482 371 T N -0.038 114.517 114.554 0.001 0.000 3.018 371 T HA 0.175 4.496 4.350 -0.048 0.000 0.246 371 T C 0.741 175.443 174.700 0.004 0.000 1.026 371 T CA 0.496 62.599 62.100 0.005 0.000 1.081 371 T CB 0.475 69.349 68.868 0.010 0.000 0.970 371 T HN 0.610 nan 8.240 nan 0.000 0.475 372 S N -0.123 115.579 115.700 0.003 0.000 2.548 372 S HA 0.721 5.162 4.470 -0.048 0.000 0.286 372 S C -1.701 172.905 174.600 0.010 0.000 1.098 372 S CA -0.555 57.650 58.200 0.008 0.000 0.930 372 S CB 2.109 65.316 63.200 0.011 0.000 1.070 372 S HN 0.605 nan 8.310 nan 0.000 0.480 373 V N 4.285 124.210 119.914 0.020 0.000 2.711 373 V HA 0.746 4.837 4.120 -0.048 0.000 0.304 373 V C -1.481 174.650 176.094 0.062 0.000 1.097 373 V CA -0.340 61.982 62.300 0.036 0.000 0.906 373 V CB 1.552 33.378 31.823 0.005 0.000 1.015 373 V HN 1.076 nan 8.190 nan 0.000 0.427 374 K N 3.786 124.256 120.400 0.116 0.000 2.430 374 K HA 0.468 4.759 4.320 -0.048 0.000 0.268 374 K C 0.388 177.055 176.600 0.112 0.000 1.043 374 K CA -0.787 55.549 56.287 0.082 0.000 0.899 374 K CB 2.212 34.735 32.500 0.039 0.000 1.472 374 K HN 0.570 nan 8.250 nan 0.000 0.451 375 K N 0.755 121.167 120.400 0.021 0.000 1.987 375 K HA -0.207 4.084 4.320 -0.048 0.000 0.216 375 K C 0.195 176.654 176.600 -0.235 0.000 1.051 375 K CA 2.452 58.716 56.287 -0.038 0.000 0.942 375 K CB -0.033 32.428 32.500 -0.066 0.000 0.722 375 K HN 0.443 nan 8.250 nan 0.000 0.444 376 D N 0.081 120.297 120.400 -0.306 0.000 2.395 376 D HA 0.154 4.765 4.640 -0.048 0.000 0.213 376 D C -0.518 175.467 176.300 -0.524 0.000 1.110 376 D CA 0.242 53.887 54.000 -0.591 0.000 0.835 376 D CB 0.688 41.270 40.800 -0.363 0.000 0.965 376 D HN 0.274 nan 8.370 nan 0.000 0.505 377 E N 0.248 120.366 120.200 -0.137 0.000 2.413 377 E HA 0.605 4.927 4.350 -0.048 0.000 0.277 377 E C -0.549 176.218 176.600 0.278 0.000 0.958 377 E CA -0.858 55.601 56.400 0.098 0.000 0.779 377 E CB 2.979 32.682 29.700 0.005 0.000 1.278 377 E HN -0.017 nan 8.360 nan 0.000 0.456 378 I N -2.373 118.317 120.570 0.199 0.000 3.004 378 I HA 0.547 4.688 4.170 -0.048 0.000 0.305 378 I C -1.214 174.922 176.117 0.032 0.000 1.312 378 I CA -0.907 60.441 61.300 0.081 0.000 0.992 378 I CB 2.474 40.455 38.000 -0.033 0.000 1.282 378 I HN 0.372 nan 8.210 nan 0.000 0.449 379 E N 3.035 123.241 120.200 0.010 0.000 2.256 379 E HA 0.713 5.034 4.350 -0.048 0.000 0.267 379 E C -1.240 175.358 176.600 -0.003 0.000 0.892 379 E CA -1.087 55.315 56.400 0.004 0.000 0.775 379 E CB 3.350 33.054 29.700 0.008 0.000 1.207 379 E HN 0.627 nan 8.360 nan 0.000 0.420 380 V N -1.309 118.605 119.914 -0.001 0.000 2.925 380 V HA 0.487 4.578 4.120 -0.048 0.000 0.311 380 V C -0.593 175.513 176.094 0.021 0.000 1.104 380 V CA -0.980 61.321 62.300 0.003 0.000 0.954 380 V CB 1.939 33.755 31.823 -0.012 0.000 1.022 380 V HN 0.633 nan 8.190 nan 0.000 0.427 381 E N 2.875 123.095 120.200 0.034 0.000 2.343 381 E HA 0.628 4.949 4.350 -0.048 0.000 0.269 381 E C -1.139 175.499 176.600 0.064 0.000 1.047 381 E CA -0.532 55.908 56.400 0.066 0.000 0.874 381 E CB 1.831 31.570 29.700 0.066 0.000 1.033 381 E HN 0.629 nan 8.360 nan 0.000 0.409 382 L N 2.296 123.581 121.223 0.104 0.000 2.362 382 L HA 0.415 4.726 4.340 -0.048 0.000 0.271 382 L C 1.432 178.360 176.870 0.097 0.000 1.002 382 L CA -0.780 54.083 54.840 0.039 0.000 0.818 382 L CB 1.731 43.751 42.059 -0.066 0.000 1.298 382 L HN 0.482 nan 8.230 nan 0.000 0.420 383 R N 0.705 121.222 120.500 0.028 0.000 2.081 383 R HA -0.053 4.258 4.340 -0.048 0.000 0.235 383 R C 0.610 176.919 176.300 0.015 0.000 1.131 383 R CA 1.395 57.535 56.100 0.067 0.000 0.960 383 R CB 0.176 30.485 30.300 0.016 0.000 0.856 383 R HN 0.533 nan 8.270 nan 0.000 0.436 384 R N 0.713 121.069 120.500 -0.240 0.000 2.686 384 R HA 0.339 4.650 4.340 -0.048 0.000 0.283 384 R C -2.813 172.979 176.300 -0.848 0.000 0.978 384 R CA -1.962 53.756 56.100 -0.637 0.000 0.897 384 R CB 2.253 32.295 30.300 -0.430 0.000 1.192 384 R HN -0.167 nan 8.270 nan 0.000 0.457 385 P HA 0.072 nan 4.420 nan 0.000 0.272 385 P C -0.716 176.204 177.300 -0.633 0.000 1.230 385 P CA -0.319 62.103 63.100 -1.130 0.000 0.788 385 P CB 1.248 32.003 31.700 -1.576 0.000 0.949 386 V N -2.117 117.561 119.914 -0.393 0.000 2.735 386 V HA 0.817 4.908 4.120 -0.048 0.000 0.310 386 V C -0.193 175.821 176.094 -0.133 0.000 1.061 386 V CA -1.461 60.705 62.300 -0.224 0.000 0.913 386 V CB 1.264 32.992 31.823 -0.158 0.000 1.005 386 V HN 0.699 nan 8.190 nan 0.000 0.428 387 A N 3.230 126.031 122.820 -0.031 0.000 2.363 387 A HA 0.729 5.021 4.320 -0.048 0.000 0.270 387 A C -0.158 177.482 177.584 0.093 0.000 1.121 387 A CA -0.445 51.627 52.037 0.057 0.000 0.800 387 A CB 0.887 19.963 19.000 0.127 0.000 1.052 387 A HN 1.497 nan 8.150 nan 0.000 0.493 388 V N 3.714 123.624 119.914 -0.007 0.000 2.250 388 V HA 0.090 4.181 4.120 -0.048 0.000 0.268 388 V C 0.563 176.561 176.094 -0.160 0.000 1.043 388 V CA -0.521 61.640 62.300 -0.232 0.000 0.814 388 V CB -0.434 31.259 31.823 -0.217 0.000 1.072 388 V HN 1.171 nan 8.190 nan 0.000 0.451 389 W N 2.763 124.049 121.300 -0.023 0.000 2.425 389 W HA 0.162 4.783 4.660 -0.064 0.000 0.277 389 W C 0.810 177.323 176.519 -0.010 0.000 1.231 389 W CA 0.720 58.056 57.345 -0.014 0.000 1.248 389 W CB -0.162 29.292 29.460 -0.011 0.000 1.117 389 W HN 0.486 nan 8.180 nan 0.000 0.568 390 S N -0.828 114.566 115.700 -0.510 0.000 2.704 390 S HA 0.296 4.738 4.470 -0.048 0.000 0.296 390 S C 0.464 174.894 174.600 -0.283 0.000 1.138 390 S CA -0.429 57.618 58.200 -0.256 0.000 0.875 390 S CB 1.194 64.289 63.200 -0.175 0.000 1.151 390 S HN 0.240 nan 8.310 nan 0.000 0.500 391 N N 1.011 119.618 118.700 -0.156 0.000 2.084 391 N HA 0.027 4.739 4.740 -0.048 0.000 0.188 391 N C -0.257 175.156 175.510 -0.161 0.000 1.078 391 N CA 0.602 53.572 53.050 -0.134 0.000 0.877 391 N CB -0.228 38.215 38.487 -0.074 0.000 1.051 391 N HN 0.567 nan 8.380 nan 0.000 0.440 392 N N 1.332 119.968 118.700 -0.106 0.000 2.402 392 N HA 0.145 4.856 4.740 -0.048 0.000 0.259 392 N C -1.077 174.370 175.510 -0.105 0.000 1.167 392 N CA 0.422 53.421 53.050 -0.085 0.000 0.949 392 N CB 0.476 38.945 38.487 -0.029 0.000 1.212 392 N HN 0.310 nan 8.380 nan 0.000 0.493 393 I N 1.535 122.007 120.570 -0.164 0.000 2.378 393 I HA 0.250 4.391 4.170 -0.048 0.000 0.291 393 I C 0.959 177.043 176.117 -0.054 0.000 0.992 393 I CA -0.797 60.391 61.300 -0.186 0.000 1.154 393 I CB 1.812 39.522 38.000 -0.483 0.000 1.315 393 I HN 0.170 nan 8.210 nan 0.000 0.448 394 R N 3.325 123.845 120.500 0.034 0.000 2.679 394 R HA 0.205 4.516 4.340 -0.048 0.000 0.268 394 R C -0.256 176.100 176.300 0.093 0.000 1.044 394 R CA 0.498 56.672 56.100 0.124 0.000 1.105 394 R CB 0.815 31.177 30.300 0.103 0.000 0.989 394 R HN 0.682 nan 8.270 nan 0.000 0.447 395 T N 1.762 116.402 114.554 0.144 0.000 2.906 395 T HA 0.444 4.766 4.350 -0.048 0.000 0.295 395 T C -1.359 173.428 174.700 0.145 0.000 1.061 395 T CA -0.679 61.474 62.100 0.089 0.000 1.000 395 T CB 1.466 70.353 68.868 0.032 0.000 1.103 395 T HN 0.234 nan 8.240 nan 0.000 0.486 396 V N 5.261 125.230 119.914 0.092 0.000 2.350 396 V HA 0.490 4.581 4.120 -0.048 0.000 0.285 396 V C -0.322 175.814 176.094 0.069 0.000 1.014 396 V CA -0.773 61.593 62.300 0.111 0.000 0.831 396 V CB 0.873 32.740 31.823 0.074 0.000 1.000 396 V HN 0.776 nan 8.190 nan 0.000 0.433 397 I N 3.988 124.607 120.570 0.083 0.000 2.395 397 I HA 0.450 4.591 4.170 -0.048 0.000 0.289 397 I C 0.598 176.763 176.117 0.080 0.000 1.023 397 I CA 0.944 62.270 61.300 0.045 0.000 1.350 397 I CB 1.301 39.302 38.000 0.001 0.000 1.409 397 I HN 0.549 nan 8.210 nan 0.000 0.507 398 S N 5.623 121.385 115.700 0.102 0.000 2.541 398 S HA 0.653 5.095 4.470 -0.048 0.000 0.280 398 S C -0.679 174.146 174.600 0.375 0.000 1.112 398 S CA -0.843 57.478 58.200 0.202 0.000 0.925 398 S CB 2.208 65.526 63.200 0.197 0.000 1.067 398 S HN 0.579 nan 8.310 nan 0.000 0.479 399 R N 1.344 122.041 120.500 0.329 0.000 2.740 399 R HA 0.359 4.670 4.340 -0.048 0.000 0.282 399 R C -0.680 175.591 176.300 -0.049 0.000 0.969 399 R CA -0.570 55.654 56.100 0.207 0.000 0.918 399 R CB 1.140 31.472 30.300 0.053 0.000 1.175 399 R HN 0.686 nan 8.270 nan 0.000 0.464 400 Q N 4.404 123.792 119.800 -0.687 0.000 3.159 400 Q HA 0.025 4.336 4.340 -0.048 0.000 0.280 400 Q C 0.910 176.659 176.000 -0.418 0.000 1.403 400 Q CA -0.209 55.034 55.803 -0.933 0.000 0.957 400 Q CB 0.147 27.977 28.738 -1.514 0.000 1.729 400 Q HN 0.687 nan 8.270 nan 0.000 0.551 401 I N 1.432 121.875 120.570 -0.211 0.000 2.091 401 I HA -0.323 3.819 4.170 -0.048 0.000 0.239 401 I C 1.395 177.440 176.117 -0.119 0.000 1.061 401 I CA 2.319 63.548 61.300 -0.119 0.000 1.317 401 I CB -0.259 37.714 38.000 -0.046 0.000 1.031 401 I HN 0.571 nan 8.210 nan 0.000 0.401 402 A N -0.942 121.812 122.820 -0.109 0.000 2.478 402 A HA 0.451 4.742 4.320 -0.048 0.000 0.210 402 A C 1.977 179.487 177.584 -0.123 0.000 1.728 402 A CA 0.883 52.867 52.037 -0.088 0.000 0.622 402 A CB -1.389 17.578 19.000 -0.054 0.000 1.231 402 A HN 0.484 nan 8.150 nan 0.000 0.497 403 G N -1.975 106.752 108.800 -0.121 0.000 3.314 403 G HA2 0.323 4.254 3.960 -0.048 0.000 0.230 403 G HA3 0.323 4.254 3.960 -0.048 0.000 0.230 403 G C 0.465 175.271 174.900 -0.157 0.000 1.058 403 G CA -0.026 44.993 45.100 -0.134 0.000 0.926 403 G HN 0.429 nan 8.290 nan 0.000 0.564 404 R N 0.179 120.604 120.500 -0.124 0.000 2.460 404 R HA 0.397 4.709 4.340 -0.048 0.000 0.303 404 R C -0.751 175.496 176.300 -0.089 0.000 0.968 404 R CA -0.903 55.164 56.100 -0.056 0.000 0.889 404 R CB 1.116 31.430 30.300 0.024 0.000 1.123 404 R HN 0.097 nan 8.270 nan 0.000 0.455 405 W N 2.956 124.263 121.300 0.011 0.000 2.209 405 W HA 0.086 4.718 4.660 -0.047 0.000 0.344 405 W C 0.670 177.199 176.519 0.017 0.000 1.285 405 W CA 0.442 57.793 57.345 0.010 0.000 1.267 405 W CB 0.375 29.839 29.460 0.007 0.000 1.167 405 W HN 0.358 nan 8.180 nan 0.000 0.574 406 R N 2.420 123.080 120.500 0.268 0.000 2.566 406 R HA 0.360 4.672 4.340 -0.048 0.000 0.271 406 R C -1.024 175.376 176.300 0.166 0.000 1.071 406 R CA -0.832 55.372 56.100 0.172 0.000 0.915 406 R CB 0.803 31.160 30.300 0.095 0.000 1.228 406 R HN 0.538 nan 8.270 nan 0.000 0.449 407 M N 5.664 125.349 119.600 0.141 0.000 2.251 407 M HA 0.141 4.593 4.480 -0.048 0.000 0.343 407 M C 1.043 177.414 176.300 0.118 0.000 1.245 407 M CA 0.839 56.216 55.300 0.128 0.000 1.061 407 M CB 0.301 32.970 32.600 0.116 0.000 1.723 407 M HN 0.717 nan 8.290 nan 0.000 0.449 408 I N -1.564 119.074 120.570 0.114 0.000 4.442 408 I HA 0.651 4.792 4.170 -0.048 0.000 0.331 408 I C 0.408 176.590 176.117 0.109 0.000 1.364 408 I CA -0.193 61.164 61.300 0.096 0.000 1.207 408 I CB 0.655 38.694 38.000 0.064 0.000 1.298 408 I HN 0.757 nan 8.210 nan 0.000 0.463 409 G N 1.006 109.893 108.800 0.144 0.000 2.317 409 G HA2 0.326 4.258 3.960 -0.048 0.000 0.293 409 G HA3 0.326 4.258 3.960 -0.048 0.000 0.293 409 G C -2.499 172.562 174.900 0.268 0.000 1.287 409 G CA -0.216 45.002 45.100 0.196 0.000 0.850 409 G HN 0.448 nan 8.290 nan 0.000 0.515 410 W N -0.403 120.928 121.300 0.051 0.000 3.074 410 W HA 0.836 5.485 4.660 -0.018 0.000 0.332 410 W C -0.254 176.297 176.519 0.054 0.000 1.253 410 W CA -0.957 56.404 57.345 0.028 0.000 1.180 410 W CB 1.128 30.583 29.460 -0.009 0.000 1.445 410 W HN 1.781 nan 8.180 nan 0.000 0.573 411 G N 0.571 109.353 108.800 -0.030 0.000 2.606 411 G HA2 0.551 4.482 3.960 -0.048 0.000 0.300 411 G HA3 0.551 4.482 3.960 -0.048 0.000 0.300 411 G C -2.470 172.413 174.900 -0.029 0.000 1.360 411 G CA -1.140 43.764 45.100 -0.327 0.000 0.783 411 G HN 0.382 nan 8.290 nan 0.000 0.484 412 L N 0.960 122.127 121.223 -0.093 0.000 2.322 412 L HA 0.509 4.820 4.340 -0.048 0.000 0.281 412 L C 0.216 177.053 176.870 -0.054 0.000 1.014 412 L CA -0.817 54.011 54.840 -0.021 0.000 0.815 412 L CB 1.392 43.441 42.059 -0.016 0.000 1.247 412 L HN 0.284 nan 8.230 nan 0.000 0.421 413 V N 3.531 123.403 119.914 -0.070 0.000 2.470 413 V HA 0.129 4.220 4.120 -0.048 0.000 0.276 413 V C 0.463 176.501 176.094 -0.094 0.000 1.040 413 V CA -0.449 61.796 62.300 -0.091 0.000 1.008 413 V CB 0.797 32.538 31.823 -0.137 0.000 0.990 413 V HN 0.689 nan 8.190 nan 0.000 0.477 414 E N 5.767 125.924 120.200 -0.072 0.000 2.175 414 E HA 0.684 5.005 4.350 -0.048 0.000 0.278 414 E C -0.337 176.228 176.600 -0.058 0.000 0.969 414 E CA -0.377 55.985 56.400 -0.064 0.000 0.796 414 E CB 2.002 31.672 29.700 -0.051 0.000 1.104 414 E HN 0.721 nan 8.360 nan 0.000 0.395 415 I N 0.000 120.535 120.570 -0.059 0.000 2.984 415 I HA 0.000 4.141 4.170 -0.048 0.000 0.288 415 I CA 0.000 61.271 61.300 -0.048 0.000 1.566 415 I CB 0.000 37.964 38.000 -0.060 0.000 1.214 415 I HN 0.000 nan 8.210 nan 0.000 0.494