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 3fks_1_M DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAA 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.706 174.700 0.009 0.000 1.109 7 T CA 0.000 62.104 62.100 0.006 0.000 1.349 7 T CB 0.000 68.872 68.868 0.006 0.000 0.612 8 P HA 0.522 nan 4.420 nan 0.000 0.271 8 P C -0.687 176.632 177.300 0.032 0.000 1.218 8 P CA -0.738 62.375 63.100 0.021 0.000 0.780 8 P CB 0.345 32.059 31.700 0.022 0.000 0.901 9 I N 1.704 122.300 120.570 0.043 0.000 2.378 9 I HA 0.259 4.429 4.170 -0.000 0.000 0.291 9 I C 0.656 176.849 176.117 0.126 0.000 0.992 9 I CA -0.535 60.808 61.300 0.073 0.000 1.154 9 I CB 1.119 39.145 38.000 0.044 0.000 1.315 9 I HN 0.422 nan 8.210 nan 0.000 0.448 10 T N 1.822 116.458 114.554 0.137 0.000 2.925 10 T HA 0.880 5.230 4.350 -0.000 0.000 0.285 10 T C 0.013 174.799 174.700 0.142 0.000 1.021 10 T CA -0.860 61.313 62.100 0.121 0.000 1.042 10 T CB 2.318 71.221 68.868 0.057 0.000 1.037 10 T HN 0.900 nan 8.240 nan 0.000 0.481 11 G N 1.534 110.325 108.800 -0.015 0.000 2.753 11 G HA2 0.550 4.510 3.960 -0.000 0.000 0.295 11 G HA3 0.550 4.510 3.960 -0.000 0.000 0.295 11 G C -1.170 173.537 174.900 -0.323 0.000 1.437 11 G CA -1.243 43.615 45.100 -0.404 0.000 1.094 11 G HN 0.959 nan 8.290 nan 0.000 0.540 12 K N 1.418 121.657 120.400 -0.269 0.000 2.234 12 K HA 0.623 4.943 4.320 -0.000 0.000 0.282 12 K C -0.002 176.495 176.600 -0.172 0.000 1.039 12 K CA -0.749 55.443 56.287 -0.158 0.000 0.928 12 K CB 2.216 34.663 32.500 -0.088 0.000 1.039 12 K HN 0.146 nan 8.250 nan 0.000 0.470 13 V N 3.437 123.280 119.914 -0.120 0.000 2.763 13 V HA -0.076 4.044 4.120 -0.000 0.000 0.306 13 V C 0.844 176.895 176.094 -0.072 0.000 1.059 13 V CA 0.411 62.655 62.300 -0.093 0.000 1.138 13 V CB 1.024 32.812 31.823 -0.060 0.000 0.940 13 V HN 1.039 nan 8.190 nan 0.000 0.489 14 T N 2.270 116.791 114.554 -0.055 0.000 3.056 14 T HA 0.482 4.832 4.350 -0.000 0.000 0.241 14 T C 0.331 175.010 174.700 -0.034 0.000 1.006 14 T CA 0.766 62.840 62.100 -0.044 0.000 1.115 14 T CB 0.610 69.467 68.868 -0.019 0.000 0.939 14 T HN 0.904 nan 8.240 nan 0.000 0.462 15 A N 0.568 123.373 122.820 -0.025 0.000 2.574 15 A HA 0.710 5.030 4.320 -0.000 0.000 0.297 15 A C -1.769 175.805 177.584 -0.017 0.000 1.062 15 A CA -0.529 51.496 52.037 -0.020 0.000 0.686 15 A CB 1.575 20.567 19.000 -0.014 0.000 1.285 15 A HN 0.075 nan 8.150 nan 0.000 0.403 16 V N 2.418 122.322 119.914 -0.015 0.000 2.623 16 V HA 0.728 4.848 4.120 -0.000 0.000 0.304 16 V C -0.770 175.317 176.094 -0.011 0.000 1.054 16 V CA -0.282 62.010 62.300 -0.013 0.000 0.882 16 V CB 1.609 33.424 31.823 -0.014 0.000 1.002 16 V HN 0.948 nan 8.190 nan 0.000 0.424 17 I N 4.152 124.716 120.570 -0.010 0.000 2.667 17 I HA 0.643 4.813 4.170 -0.000 0.000 0.288 17 I C 0.396 176.507 176.117 -0.010 0.000 1.267 17 I CA 0.722 62.016 61.300 -0.010 0.000 1.055 17 I CB 1.380 39.374 38.000 -0.009 0.000 1.294 17 I HN 0.969 nan 8.210 nan 0.000 0.429 18 G N 5.304 114.098 108.800 -0.010 0.000 2.547 18 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.271 18 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.271 18 G C 0.564 175.458 174.900 -0.011 0.000 1.209 18 G CA 0.297 45.390 45.100 -0.012 0.000 0.959 18 G HN 1.652 nan 8.290 nan 0.000 0.563 19 A N -0.669 122.143 122.820 -0.012 0.000 2.370 19 A HA 0.628 4.948 4.320 -0.000 0.000 0.238 19 A C 0.551 178.130 177.584 -0.008 0.000 1.289 19 A CA 0.681 52.712 52.037 -0.010 0.000 0.885 19 A CB -0.180 18.813 19.000 -0.012 0.000 0.961 19 A HN 0.746 nan 8.150 nan 0.000 0.499 20 I N 0.133 120.698 120.570 -0.008 0.000 2.354 20 I HA 0.349 4.519 4.170 -0.000 0.000 0.292 20 I C -0.584 175.530 176.117 -0.005 0.000 0.989 20 I CA -0.426 60.870 61.300 -0.006 0.000 1.188 20 I CB 2.008 40.004 38.000 -0.007 0.000 1.342 20 I HN -0.092 nan 8.210 nan 0.000 0.457 21 V N 5.510 125.423 119.914 -0.002 0.000 2.443 21 V HA 0.380 4.500 4.120 -0.000 0.000 0.293 21 V C -0.871 175.222 176.094 -0.001 0.000 1.021 21 V CA -0.868 61.429 62.300 -0.004 0.000 0.848 21 V CB 1.672 33.492 31.823 -0.004 0.000 0.998 21 V HN 0.542 nan 8.190 nan 0.000 0.424 22 D N 3.696 124.093 120.400 -0.005 0.000 2.277 22 D HA 0.485 5.125 4.640 -0.000 0.000 0.249 22 D C -0.355 175.934 176.300 -0.017 0.000 1.134 22 D CA 0.067 54.068 54.000 0.002 0.000 0.863 22 D CB 2.309 43.113 40.800 0.007 0.000 1.143 22 D HN 0.262 nan 8.370 nan 0.000 0.458 23 V N 2.834 122.736 119.914 -0.019 0.000 2.604 23 V HA 0.170 4.290 4.120 -0.000 0.000 0.305 23 V C -0.008 175.970 176.094 -0.193 0.000 1.043 23 V CA -0.853 61.358 62.300 -0.149 0.000 0.888 23 V CB 2.141 33.836 31.823 -0.214 0.000 0.995 23 V HN 0.549 nan 8.190 nan 0.000 0.429 24 H N 4.183 123.021 119.070 -0.388 0.000 2.467 24 H HA 0.585 5.141 4.556 -0.000 0.000 0.326 24 H C -1.714 173.320 175.328 -0.490 0.000 1.094 24 H CA -0.334 55.553 56.048 -0.268 0.000 1.253 24 H CB 1.232 30.911 29.762 -0.139 0.000 1.439 24 H HN 0.494 nan 8.280 nan 0.000 0.479 25 F N 1.834 121.497 119.950 -0.479 0.000 2.556 25 F HA 0.226 4.753 4.527 -0.000 0.000 0.327 25 F C 0.609 176.191 175.800 -0.363 0.000 1.059 25 F CA -1.051 56.779 58.000 -0.283 0.000 0.953 25 F CB 1.130 40.035 39.000 -0.157 0.000 1.227 25 F HN 0.432 nan 8.300 nan 0.000 0.478 26 E N 0.493 120.732 120.200 0.065 0.000 2.392 26 E HA 0.051 4.401 4.350 -0.000 0.000 0.256 26 E C -0.405 176.214 176.600 0.032 0.000 1.145 26 E CA -0.421 56.008 56.400 0.047 0.000 0.929 26 E CB 0.508 30.253 29.700 0.075 0.000 0.998 26 E HN 0.564 nan 8.360 nan 0.000 0.442 27 Q N 0.385 120.204 119.800 0.031 0.000 2.428 27 Q HA -0.037 4.303 4.340 -0.000 0.000 0.276 27 Q C 0.233 176.243 176.000 0.017 0.000 1.059 27 Q CA 1.150 56.966 55.803 0.022 0.000 0.923 27 Q CB 0.319 29.074 28.738 0.027 0.000 1.283 27 Q HN 0.743 nan 8.270 nan 0.000 0.447 28 S N 0.207 115.910 115.700 0.005 0.000 3.127 28 S HA -0.287 4.183 4.470 -0.000 0.000 0.281 28 S C -0.593 174.002 174.600 -0.009 0.000 1.293 28 S CA 1.550 59.748 58.200 -0.003 0.000 1.156 28 S CB -2.155 61.047 63.200 0.003 0.000 1.389 28 S HN 0.795 nan 8.310 nan 0.000 0.672 29 E N 0.359 120.554 120.200 -0.008 0.000 2.244 29 E HA 0.787 5.137 4.350 -0.000 0.000 0.260 29 E C -0.694 175.846 176.600 -0.099 0.000 0.884 29 E CA -1.204 55.179 56.400 -0.029 0.000 0.777 29 E CB 1.579 31.290 29.700 0.017 0.000 1.197 29 E HN 0.493 nan 8.360 nan 0.000 0.416 30 L N 2.923 124.046 121.223 -0.168 0.000 2.505 30 L HA 0.521 4.861 4.340 -0.000 0.000 0.259 30 L C -2.607 174.102 176.870 -0.270 0.000 0.952 30 L CA -2.013 52.658 54.840 -0.281 0.000 0.840 30 L CB 2.590 44.601 42.059 -0.079 0.000 1.358 30 L HN 0.552 nan 8.230 nan 0.000 0.409 31 P HA 0.517 nan 4.420 nan 0.000 0.296 31 P C -0.643 176.615 177.300 -0.071 0.000 1.306 31 P CA -0.370 62.579 63.100 -0.252 0.000 0.818 31 P CB 1.651 33.133 31.700 -0.364 0.000 0.969 32 A N 3.332 126.160 122.820 0.013 0.000 2.262 32 A HA 0.351 4.671 4.320 -0.000 0.000 0.273 32 A C 0.390 178.042 177.584 0.114 0.000 1.202 32 A CA -0.485 51.637 52.037 0.142 0.000 0.811 32 A CB -0.232 18.789 19.000 0.034 0.000 1.159 32 A HN 0.554 nan 8.150 nan 0.000 0.505 33 I N -0.295 120.362 120.570 0.144 0.000 2.638 33 I HA 0.133 4.303 4.170 -0.000 0.000 0.286 33 I C 0.494 176.586 176.117 -0.043 0.000 1.088 33 I CA 0.328 61.651 61.300 0.039 0.000 1.397 33 I CB 0.497 38.529 38.000 0.053 0.000 1.414 33 I HN 0.682 nan 8.210 nan 0.000 0.566 34 L N 2.070 123.246 121.223 -0.078 0.000 5.044 34 L HA -0.256 4.084 4.340 -0.000 0.000 0.412 34 L C -0.061 176.793 176.870 -0.027 0.000 0.971 34 L CA 0.152 54.914 54.840 -0.130 0.000 1.411 34 L CB -1.692 40.174 42.059 -0.321 0.000 1.884 34 L HN 0.710 nan 8.230 nan 0.000 0.631 35 N N 1.025 119.712 118.700 -0.021 0.000 2.518 35 N HA 0.506 5.246 4.740 -0.000 0.000 0.266 35 N C 0.255 175.771 175.510 0.010 0.000 1.196 35 N CA 0.807 53.853 53.050 -0.007 0.000 0.947 35 N CB 0.947 39.413 38.487 -0.034 0.000 1.098 35 N HN 0.289 nan 8.380 nan 0.000 0.450 36 A N 2.526 125.359 122.820 0.021 0.000 2.260 36 A HA 0.561 4.881 4.320 -0.000 0.000 0.308 36 A C -0.288 177.311 177.584 0.026 0.000 1.254 36 A CA -0.541 51.513 52.037 0.029 0.000 0.874 36 A CB -0.024 18.995 19.000 0.032 0.000 1.153 36 A HN 0.623 nan 8.150 nan 0.000 0.527 37 L N 1.666 122.911 121.223 0.037 0.000 2.332 37 L HA 0.654 4.994 4.340 -0.000 0.000 0.269 37 L C 0.279 177.173 176.870 0.041 0.000 1.016 37 L CA -0.531 54.340 54.840 0.052 0.000 0.809 37 L CB 1.645 43.758 42.059 0.089 0.000 1.280 37 L HN 0.728 nan 8.230 nan 0.000 0.447 38 E N 1.166 121.391 120.200 0.042 0.000 2.343 38 E HA 0.661 5.011 4.350 -0.000 0.000 0.270 38 E C -1.443 175.171 176.600 0.024 0.000 0.895 38 E CA -0.688 55.728 56.400 0.028 0.000 0.767 38 E CB 3.262 32.975 29.700 0.021 0.000 1.248 38 E HN 0.362 nan 8.360 nan 0.000 0.440 39 I N 1.717 122.296 120.570 0.015 0.000 2.569 39 I HA 0.249 4.419 4.170 -0.000 0.000 0.290 39 I C -0.514 175.606 176.117 0.005 0.000 1.088 39 I CA -0.748 60.556 61.300 0.008 0.000 1.047 39 I CB 2.056 40.058 38.000 0.003 0.000 1.237 39 I HN 0.229 nan 8.210 nan 0.000 0.421 40 K N 5.654 126.056 120.400 0.003 0.000 2.183 40 K HA 0.244 4.564 4.320 -0.000 0.000 0.272 40 K C -0.117 176.483 176.600 -0.001 0.000 1.113 40 K CA -0.198 56.090 56.287 0.002 0.000 0.949 40 K CB 0.295 32.796 32.500 0.002 0.000 1.365 40 K HN 0.726 nan 8.250 nan 0.000 0.420 41 T N 1.258 115.812 114.554 -0.001 0.000 2.922 41 T HA 0.281 4.631 4.350 -0.000 0.000 0.285 41 T C -1.769 172.929 174.700 -0.003 0.000 1.005 41 T CA -1.954 60.145 62.100 -0.003 0.000 1.061 41 T CB 1.392 70.258 68.868 -0.003 0.000 1.007 41 T HN 0.240 nan 8.240 nan 0.000 0.502 42 P HA -0.179 nan 4.420 nan 0.000 0.218 42 P C 1.770 179.068 177.300 -0.003 0.000 1.148 42 P CA 1.215 64.313 63.100 -0.003 0.000 0.822 42 P CB 0.023 31.720 31.700 -0.004 0.000 0.784 43 Q N -1.351 118.447 119.800 -0.003 0.000 2.016 43 Q HA 0.034 4.374 4.340 -0.000 0.000 0.200 43 Q C 1.523 177.521 176.000 -0.003 0.000 0.978 43 Q CA 1.831 57.632 55.803 -0.004 0.000 0.833 43 Q CB -0.741 27.994 28.738 -0.004 0.000 0.895 43 Q HN 0.226 nan 8.270 nan 0.000 0.427 44 G N 0.659 109.457 108.800 -0.003 0.000 3.420 44 G HA2 0.220 4.179 3.960 -0.000 0.000 0.142 44 G HA3 0.220 4.179 3.960 -0.000 0.000 0.142 44 G C -1.310 173.590 174.900 -0.001 0.000 1.209 44 G CA -0.126 44.972 45.100 -0.002 0.000 1.454 44 G HN 0.311 nan 8.290 nan 0.000 0.728 45 K N -0.455 119.945 120.400 -0.000 0.000 2.543 45 K HA 0.683 5.003 4.320 -0.000 0.000 0.255 45 K C -2.035 174.567 176.600 0.003 0.000 0.934 45 K CA -0.832 55.456 56.287 0.002 0.000 0.810 45 K CB 2.525 35.027 32.500 0.003 0.000 1.315 45 K HN 0.599 nan 8.250 nan 0.000 0.433 46 L N 3.300 124.526 121.223 0.004 0.000 2.276 46 L HA 0.392 4.732 4.340 -0.000 0.000 0.286 46 L C -1.345 175.531 176.870 0.009 0.000 1.024 46 L CA -0.434 54.409 54.840 0.005 0.000 0.826 46 L CB 1.605 43.665 42.059 0.003 0.000 1.211 46 L HN 0.576 nan 8.230 nan 0.000 0.422 47 V N 6.495 126.415 119.914 0.011 0.000 2.465 47 V HA 0.396 4.516 4.120 -0.000 0.000 0.279 47 V C 0.399 176.504 176.094 0.019 0.000 1.045 47 V CA -0.427 61.883 62.300 0.016 0.000 0.938 47 V CB 1.107 32.939 31.823 0.014 0.000 0.986 47 V HN 0.650 nan 8.190 nan 0.000 0.467 48 L N 3.819 125.057 121.223 0.025 0.000 2.322 48 L HA 0.712 5.052 4.340 -0.000 0.000 0.269 48 L C -0.068 176.822 176.870 0.032 0.000 1.012 48 L CA -0.516 54.340 54.840 0.027 0.000 0.815 48 L CB 1.797 43.875 42.059 0.031 0.000 1.295 48 L HN 0.672 nan 8.230 nan 0.000 0.438 49 E N 0.730 120.949 120.200 0.031 0.000 2.246 49 E HA 0.351 4.701 4.350 -0.000 0.000 0.266 49 E C -1.463 175.144 176.600 0.012 0.000 0.880 49 E CA -0.749 55.670 56.400 0.032 0.000 0.762 49 E CB 2.237 31.972 29.700 0.059 0.000 1.180 49 E HN 0.320 nan 8.360 nan 0.000 0.416 50 V N 4.079 123.987 119.914 -0.009 0.000 2.493 50 V HA 0.048 4.168 4.120 -0.000 0.000 0.292 50 V C 1.059 177.128 176.094 -0.040 0.000 1.016 50 V CA 1.094 63.366 62.300 -0.046 0.000 1.097 50 V CB 0.623 32.384 31.823 -0.104 0.000 0.947 50 V HN 0.869 nan 8.190 nan 0.000 0.479 51 A N 4.426 127.226 122.820 -0.034 0.000 2.063 51 A HA 0.279 4.599 4.320 -0.000 0.000 0.211 51 A C 0.698 178.278 177.584 -0.007 0.000 1.177 51 A CA 0.689 52.715 52.037 -0.018 0.000 0.759 51 A CB 0.196 19.190 19.000 -0.009 0.000 0.857 51 A HN 0.956 nan 8.150 nan 0.000 0.468 52 Q N -1.701 118.087 119.800 -0.020 0.000 2.776 52 Q HA 0.247 4.587 4.340 -0.000 0.000 0.289 52 Q C -1.817 174.171 176.000 -0.021 0.000 0.912 52 Q CA -0.821 55.004 55.803 0.037 0.000 0.789 52 Q CB 0.386 29.150 28.738 0.042 0.000 1.498 52 Q HN 0.411 nan 8.270 nan 0.000 0.408 53 H N 1.856 120.925 119.070 -0.001 0.000 2.685 53 H HA 0.271 4.827 4.556 -0.000 0.000 0.286 53 H C 0.676 176.013 175.328 0.016 0.000 1.102 53 H CA -0.215 55.837 56.048 0.006 0.000 1.254 53 H CB 1.034 30.789 29.762 -0.012 0.000 1.397 53 H HN 0.515 nan 8.280 nan 0.000 0.473 54 L N 2.434 123.711 121.223 0.090 0.000 2.131 54 L HA -0.041 4.298 4.340 -0.000 0.000 0.210 54 L C 1.250 178.166 176.870 0.077 0.000 1.092 54 L CA 1.085 55.968 54.840 0.071 0.000 0.759 54 L CB -0.093 41.998 42.059 0.054 0.000 0.903 54 L HN 0.835 nan 8.230 nan 0.000 0.435 55 G N -0.727 108.131 108.800 0.096 0.000 2.515 55 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.686 55 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.686 55 G C -0.176 174.776 174.900 0.085 0.000 1.274 55 G CA -0.471 44.679 45.100 0.082 0.000 0.874 55 G HN 0.253 nan 8.290 nan 0.000 0.631 56 E N 0.016 120.262 120.200 0.076 0.000 2.389 56 E HA -0.240 4.110 4.350 -0.000 0.000 0.243 56 E C 0.513 177.174 176.600 0.102 0.000 1.154 56 E CA 0.634 57.089 56.400 0.092 0.000 0.723 56 E CB -1.107 28.654 29.700 0.103 0.000 1.261 56 E HN 1.259 nan 8.360 nan 0.000 0.390 57 N N -1.105 117.624 118.700 0.047 0.000 2.758 57 N HA -0.134 4.605 4.740 -0.000 0.000 0.248 57 N C -1.098 174.357 175.510 -0.091 0.000 1.076 57 N CA 1.891 54.910 53.050 -0.052 0.000 0.696 57 N CB -1.262 37.112 38.487 -0.188 0.000 0.979 57 N HN 0.360 nan 8.380 nan 0.000 0.550 58 T N -1.016 113.582 114.554 0.072 0.000 2.933 58 T HA 0.695 5.045 4.350 -0.000 0.000 0.305 58 T C -0.082 174.672 174.700 0.091 0.000 1.092 58 T CA -0.643 61.526 62.100 0.115 0.000 1.008 58 T CB 2.772 71.727 68.868 0.145 0.000 1.102 58 T HN 0.201 nan 8.240 nan 0.000 0.469 59 V N 0.525 120.494 119.914 0.093 0.000 2.709 59 V HA 0.783 4.903 4.120 -0.000 0.000 0.308 59 V C -0.522 175.577 176.094 0.007 0.000 1.062 59 V CA -1.307 60.975 62.300 -0.029 0.000 0.901 59 V CB 1.898 33.606 31.823 -0.192 0.000 1.003 59 V HN 0.897 nan 8.190 nan 0.000 0.425 60 R N 2.607 123.096 120.500 -0.019 0.000 2.312 60 R HA 0.758 5.098 4.340 -0.000 0.000 0.311 60 R C 0.061 176.354 176.300 -0.011 0.000 1.004 60 R CA 0.440 56.538 56.100 -0.004 0.000 0.902 60 R CB 1.444 31.744 30.300 0.001 0.000 1.073 60 R HN 1.160 nan 8.270 nan 0.000 0.457 61 T N 1.253 115.807 114.554 0.001 0.000 2.888 61 T HA 0.536 4.886 4.350 -0.000 0.000 0.288 61 T C -0.270 174.433 174.700 0.004 0.000 1.063 61 T CA -0.942 61.160 62.100 0.003 0.000 1.010 61 T CB 1.271 70.150 68.868 0.017 0.000 1.214 61 T HN 0.289 nan 8.240 nan 0.000 0.533 62 I N 1.518 122.093 120.570 0.008 0.000 2.389 62 I HA 0.518 4.688 4.170 -0.000 0.000 0.288 62 I C 0.704 176.828 176.117 0.011 0.000 0.999 62 I CA -1.041 60.263 61.300 0.007 0.000 1.129 62 I CB 0.740 38.745 38.000 0.009 0.000 1.288 62 I HN 1.033 nan 8.210 nan 0.000 0.444 63 A N 6.893 129.717 122.820 0.006 0.000 2.450 63 A HA 0.356 4.676 4.320 -0.000 0.000 0.255 63 A C 1.115 178.703 177.584 0.008 0.000 1.096 63 A CA -0.164 51.877 52.037 0.007 0.000 0.778 63 A CB 0.496 19.497 19.000 0.002 0.000 1.031 63 A HN 0.704 nan 8.150 nan 0.000 0.494 64 M N 0.710 120.316 119.600 0.011 0.000 2.435 64 M HA 0.075 4.555 4.480 -0.000 0.000 0.265 64 M C -0.099 176.205 176.300 0.008 0.000 1.104 64 M CA 1.097 56.404 55.300 0.012 0.000 1.140 64 M CB -0.966 31.642 32.600 0.014 0.000 1.372 64 M HN 0.690 nan 8.290 nan 0.000 0.456 65 D N -0.976 119.427 120.400 0.005 0.000 2.726 65 D HA 0.428 5.068 4.640 -0.000 0.000 0.241 65 D C 0.095 176.396 176.300 0.000 0.000 1.150 65 D CA -0.338 53.663 54.000 0.003 0.000 1.089 65 D CB -0.045 40.757 40.800 0.003 0.000 1.260 65 D HN 0.056 nan 8.370 nan 0.000 0.637 66 G N -0.325 108.475 108.800 -0.001 0.000 2.354 66 G HA2 0.301 4.261 3.960 -0.000 0.000 0.266 66 G HA3 0.301 4.261 3.960 -0.000 0.000 0.266 66 G C 0.968 175.866 174.900 -0.003 0.000 1.242 66 G CA 0.176 45.274 45.100 -0.003 0.000 0.923 66 G HN 0.389 nan 8.290 nan 0.000 0.476 67 T N 0.018 114.569 114.554 -0.005 0.000 3.055 67 T HA 0.028 4.378 4.350 -0.000 0.000 0.265 67 T C 0.759 175.455 174.700 -0.007 0.000 1.111 67 T CA 0.223 62.320 62.100 -0.006 0.000 1.118 67 T CB -0.168 68.696 68.868 -0.006 0.000 0.909 67 T HN 0.580 nan 8.240 nan 0.000 0.501 68 E N 1.634 121.830 120.200 -0.006 0.000 2.606 68 E HA 0.357 4.707 4.350 -0.000 0.000 0.248 68 E C 0.919 177.515 176.600 -0.007 0.000 1.005 68 E CA 0.656 57.052 56.400 -0.007 0.000 0.946 68 E CB -0.384 29.313 29.700 -0.006 0.000 0.928 68 E HN 0.608 nan 8.360 nan 0.000 0.494 69 G N 3.249 112.044 108.800 -0.008 0.000 2.255 69 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.239 69 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.239 69 G C -0.604 174.290 174.900 -0.009 0.000 1.083 69 G CA -0.557 44.539 45.100 -0.008 0.000 0.826 69 G HN 0.357 nan 8.290 nan 0.000 0.493 70 L N 1.388 122.605 121.223 -0.010 0.000 2.301 70 L HA 0.636 4.976 4.340 -0.000 0.000 0.278 70 L C 0.518 177.379 176.870 -0.015 0.000 1.022 70 L CA -0.975 53.858 54.840 -0.012 0.000 0.854 70 L CB 1.675 43.727 42.059 -0.012 0.000 1.226 70 L HN 0.127 nan 8.230 nan 0.000 0.429 71 V N 5.068 124.973 119.914 -0.015 0.000 2.529 71 V HA 0.125 4.245 4.120 -0.000 0.000 0.292 71 V C 1.026 177.106 176.094 -0.022 0.000 1.028 71 V CA -0.314 61.976 62.300 -0.018 0.000 1.074 71 V CB 0.293 32.106 31.823 -0.017 0.000 0.958 71 V HN 0.668 nan 8.190 nan 0.000 0.481 72 R N 3.912 124.398 120.500 -0.024 0.000 2.457 72 R HA 0.371 4.711 4.340 -0.000 0.000 0.335 72 R C 0.897 177.176 176.300 -0.034 0.000 1.003 72 R CA 1.017 57.099 56.100 -0.029 0.000 1.003 72 R CB -0.431 29.852 30.300 -0.028 0.000 0.950 72 R HN 1.169 nan 8.270 nan 0.000 0.428 73 G N 3.240 112.016 108.800 -0.041 0.000 2.455 73 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.169 73 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.169 73 G C -0.506 174.369 174.900 -0.041 0.000 1.074 73 G CA -0.296 44.777 45.100 -0.046 0.000 0.796 73 G HN 0.601 nan 8.290 nan 0.000 0.489 74 E N 0.318 120.492 120.200 -0.042 0.000 2.222 74 E HA 0.642 4.992 4.350 -0.000 0.000 0.272 74 E C 0.476 177.051 176.600 -0.042 0.000 0.982 74 E CA -0.761 55.618 56.400 -0.034 0.000 0.842 74 E CB 0.687 30.371 29.700 -0.027 0.000 1.144 74 E HN 0.219 nan 8.360 nan 0.000 0.397 75 K N 1.756 122.139 120.400 -0.029 0.000 2.349 75 K HA 0.277 4.597 4.320 -0.000 0.000 0.288 75 K C -1.113 175.478 176.600 -0.016 0.000 1.058 75 K CA -0.344 55.928 56.287 -0.025 0.000 0.953 75 K CB 0.871 33.365 32.500 -0.011 0.000 0.997 75 K HN 0.226 nan 8.250 nan 0.000 0.477 76 V N 5.515 125.417 119.914 -0.019 0.000 2.487 76 V HA 0.351 4.471 4.120 -0.000 0.000 0.298 76 V C -0.341 175.797 176.094 0.074 0.000 1.028 76 V CA -1.098 61.212 62.300 0.017 0.000 0.860 76 V CB 1.180 33.004 31.823 0.003 0.000 0.991 76 V HN 0.588 nan 8.190 nan 0.000 0.427 77 L N 0.778 122.046 121.223 0.074 0.000 2.317 77 L HA 0.833 5.173 4.340 -0.000 0.000 0.281 77 L C -0.262 176.661 176.870 0.088 0.000 1.024 77 L CA -0.462 54.430 54.840 0.087 0.000 0.810 77 L CB 1.375 43.464 42.059 0.051 0.000 1.240 77 L HN 0.453 nan 8.230 nan 0.000 0.427 78 D N 1.346 121.799 120.400 0.090 0.000 2.339 78 D HA 0.195 4.835 4.640 -0.000 0.000 0.245 78 D C 0.989 177.301 176.300 0.021 0.000 1.115 78 D CA 0.282 54.307 54.000 0.041 0.000 0.917 78 D CB 1.829 42.621 40.800 -0.012 0.000 1.192 78 D HN 0.824 nan 8.370 nan 0.000 0.428 79 T N -0.379 114.181 114.554 0.010 0.000 3.023 79 T HA 0.380 4.730 4.350 -0.000 0.000 0.253 79 T C 1.340 176.039 174.700 -0.002 0.000 1.038 79 T CA 0.591 62.695 62.100 0.006 0.000 0.962 79 T CB 0.343 69.217 68.868 0.009 0.000 1.018 79 T HN 0.629 nan 8.240 nan 0.000 0.521 80 G N 0.026 108.819 108.800 -0.011 0.000 2.284 80 G HA2 0.205 4.165 3.960 -0.000 0.000 0.216 80 G HA3 0.205 4.165 3.960 -0.000 0.000 0.216 80 G C 0.447 175.338 174.900 -0.014 0.000 1.009 80 G CA -0.326 44.764 45.100 -0.016 0.000 0.625 80 G HN 1.364 nan 8.290 nan 0.000 0.501 81 G N -0.709 108.089 108.800 -0.004 0.000 2.561 81 G HA2 0.690 4.650 3.960 -0.000 0.000 0.310 81 G HA3 0.690 4.650 3.960 -0.000 0.000 0.310 81 G C -3.301 171.614 174.900 0.024 0.000 1.292 81 G CA -0.011 45.093 45.100 0.005 0.000 0.811 81 G HN 0.269 nan 8.290 nan 0.000 0.482 82 P HA 0.283 nan 4.420 nan 0.000 0.268 82 P C -0.025 177.312 177.300 0.062 0.000 1.208 82 P CA -0.357 62.805 63.100 0.103 0.000 0.777 82 P CB 0.609 32.428 31.700 0.198 0.000 0.875 83 I N 1.390 121.994 120.570 0.056 0.000 2.618 83 I HA 0.094 4.263 4.170 -0.000 0.000 0.284 83 I C 0.158 176.268 176.117 -0.011 0.000 1.146 83 I CA 0.710 62.019 61.300 0.015 0.000 1.425 83 I CB -0.180 37.825 38.000 0.008 0.000 1.383 83 I HN 0.124 nan 8.210 nan 0.000 0.562 84 S N 6.768 122.456 115.700 -0.020 0.000 2.473 84 S HA 0.749 5.219 4.470 -0.000 0.000 0.307 84 S C -0.715 173.854 174.600 -0.052 0.000 1.094 84 S CA -0.615 57.562 58.200 -0.039 0.000 1.070 84 S CB 0.807 63.987 63.200 -0.034 0.000 1.019 84 S HN 0.670 nan 8.310 nan 0.000 0.480 85 V N 2.779 122.651 119.914 -0.071 0.000 2.732 85 V HA 0.789 4.909 4.120 -0.000 0.000 0.310 85 V C -2.616 173.413 176.094 -0.108 0.000 1.053 85 V CA -2.793 59.460 62.300 -0.077 0.000 0.957 85 V CB 1.151 32.929 31.823 -0.076 0.000 1.018 85 V HN 0.742 nan 8.190 nan 0.000 0.452 86 P HA 0.159 nan 4.420 nan 0.000 0.262 86 P C -0.168 177.008 177.300 -0.207 0.000 1.199 86 P CA 0.409 63.426 63.100 -0.139 0.000 0.763 86 P CB 0.936 32.577 31.700 -0.098 0.000 0.790 87 V N 0.606 120.325 119.914 -0.326 0.000 3.177 87 V HA 0.993 5.113 4.120 -0.000 0.000 0.319 87 V C 0.402 176.085 176.094 -0.685 0.000 1.125 87 V CA -0.080 61.900 62.300 -0.534 0.000 1.029 87 V CB 0.940 32.336 31.823 -0.711 0.000 1.119 87 V HN 0.953 nan 8.190 nan 0.000 0.452 88 G N 1.382 109.617 108.800 -0.941 0.000 2.466 88 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.316 88 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.316 88 G C -0.090 174.623 174.900 -0.313 0.000 1.270 88 G CA -0.053 44.655 45.100 -0.654 0.000 0.982 88 G HN 0.946 nan 8.290 nan 0.000 0.506 89 R N 0.188 120.665 120.500 -0.039 0.000 2.323 89 R HA 0.125 4.465 4.340 -0.000 0.000 0.198 89 R C 1.158 177.521 176.300 0.104 0.000 0.988 89 R CA 0.778 56.958 56.100 0.134 0.000 1.041 89 R CB 0.125 30.542 30.300 0.195 0.000 0.926 89 R HN 0.393 nan 8.270 nan 0.000 0.476 90 E N 0.492 120.704 120.200 0.019 0.000 2.445 90 E HA -0.026 4.323 4.350 -0.000 0.000 0.189 90 E C 0.981 177.595 176.600 0.022 0.000 1.069 90 E CA 0.678 57.090 56.400 0.020 0.000 0.871 90 E CB 0.627 30.317 29.700 -0.016 0.000 0.991 90 E HN 0.359 nan 8.360 nan 0.000 0.481 91 T N -2.887 111.695 114.554 0.048 0.000 3.023 91 T HA 0.222 4.572 4.350 -0.000 0.000 0.253 91 T C 0.957 175.728 174.700 0.118 0.000 1.038 91 T CA -0.273 61.864 62.100 0.061 0.000 0.962 91 T CB 0.041 68.932 68.868 0.038 0.000 1.018 91 T HN -0.059 nan 8.240 nan 0.000 0.521 92 L N 2.022 123.332 121.223 0.144 0.000 2.410 92 L HA 0.531 4.871 4.340 -0.000 0.000 0.273 92 L C 1.538 178.483 176.870 0.125 0.000 1.144 92 L CA 0.631 55.560 54.840 0.149 0.000 0.863 92 L CB 0.305 42.469 42.059 0.175 0.000 1.140 92 L HN 0.511 nan 8.230 nan 0.000 0.463 93 G N 1.851 110.729 108.800 0.130 0.000 2.143 93 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.249 93 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.249 93 G C 0.225 175.217 174.900 0.154 0.000 0.981 93 G CA -0.389 44.792 45.100 0.136 0.000 0.665 93 G HN 0.475 nan 8.290 nan 0.000 0.528 94 R N -0.604 119.974 120.500 0.130 0.000 2.902 94 R HA 0.824 5.164 4.340 -0.000 0.000 0.258 94 R C -0.113 176.238 176.300 0.085 0.000 1.071 94 R CA -1.140 55.018 56.100 0.097 0.000 1.024 94 R CB 0.982 31.321 30.300 0.065 0.000 1.184 94 R HN 0.251 nan 8.270 nan 0.000 0.492 95 I N 2.654 123.245 120.570 0.035 0.000 2.476 95 I HA 0.324 4.494 4.170 -0.000 0.000 0.281 95 I C -0.527 175.611 176.117 0.035 0.000 1.040 95 I CA -0.883 60.441 61.300 0.040 0.000 1.094 95 I CB 1.240 39.203 38.000 -0.061 0.000 1.219 95 I HN 0.454 nan 8.210 nan 0.000 0.450 96 I N 3.564 124.167 120.570 0.054 0.000 2.603 96 I HA 0.623 4.793 4.170 -0.000 0.000 0.300 96 I C -0.018 176.128 176.117 0.048 0.000 1.017 96 I CA -0.448 60.872 61.300 0.033 0.000 1.098 96 I CB 1.142 39.148 38.000 0.011 0.000 1.279 96 I HN 0.465 nan 8.210 nan 0.000 0.437 97 N N 3.888 122.609 118.700 0.035 0.000 2.385 97 N HA 0.101 4.841 4.740 -0.000 0.000 0.291 97 N C 1.005 176.526 175.510 0.018 0.000 1.298 97 N CA -0.295 52.780 53.050 0.042 0.000 0.955 97 N CB -0.100 38.407 38.487 0.033 0.000 1.096 97 N HN 0.574 nan 8.380 nan 0.000 0.543 98 V N -0.578 119.345 119.914 0.016 0.000 2.720 98 V HA -0.112 4.008 4.120 -0.000 0.000 0.256 98 V C 1.624 177.710 176.094 -0.012 0.000 1.082 98 V CA 1.306 63.605 62.300 -0.001 0.000 1.101 98 V CB -0.714 31.113 31.823 0.006 0.000 0.693 98 V HN 0.521 nan 8.190 nan 0.000 0.479 99 I N 0.298 120.864 120.570 -0.006 0.000 2.585 99 I HA 0.291 4.461 4.170 -0.000 0.000 0.254 99 I C 1.993 178.098 176.117 -0.019 0.000 1.129 99 I CA 1.510 62.804 61.300 -0.011 0.000 1.455 99 I CB -0.914 37.083 38.000 -0.004 0.000 1.111 99 I HN 0.498 nan 8.210 nan 0.000 0.433 100 G N 0.904 109.694 108.800 -0.017 0.000 2.205 100 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.180 100 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.180 100 G C 0.045 174.934 174.900 -0.018 0.000 1.004 100 G CA -0.503 44.583 45.100 -0.024 0.000 0.670 100 G HN 0.390 nan 8.290 nan 0.000 0.496 101 E N 1.495 121.689 120.200 -0.011 0.000 2.313 101 E HA 0.384 4.734 4.350 -0.000 0.000 0.276 101 E C -2.488 174.109 176.600 -0.006 0.000 1.031 101 E CA -1.845 54.550 56.400 -0.009 0.000 0.857 101 E CB 1.137 30.833 29.700 -0.007 0.000 1.040 101 E HN 0.059 nan 8.360 nan 0.000 0.408 102 P HA -0.035 nan 4.420 nan 0.000 0.264 102 P C 0.084 177.376 177.300 -0.012 0.000 1.236 102 P CA 0.467 63.564 63.100 -0.006 0.000 0.811 102 P CB -0.106 31.592 31.700 -0.003 0.000 0.840 103 I N 0.420 120.979 120.570 -0.018 0.000 3.891 103 I HA 0.175 4.345 4.170 -0.000 0.000 0.331 103 I C 0.476 176.551 176.117 -0.070 0.000 1.406 103 I CA 0.037 61.317 61.300 -0.034 0.000 1.139 103 I CB -0.026 37.959 38.000 -0.026 0.000 1.056 103 I HN 0.073 nan 8.210 nan 0.000 0.399 104 D N 0.989 121.347 120.400 -0.070 0.000 2.349 104 D HA -0.066 4.574 4.640 -0.000 0.000 0.214 104 D C 0.336 176.610 176.300 -0.043 0.000 1.063 104 D CA -0.099 53.837 54.000 -0.106 0.000 0.847 104 D CB -0.293 40.441 40.800 -0.110 0.000 0.933 104 D HN 0.520 nan 8.370 nan 0.000 0.513 105 E N 0.370 120.554 120.200 -0.027 0.000 2.238 105 E HA -0.242 4.108 4.350 -0.000 0.000 0.219 105 E C -0.300 176.305 176.600 0.007 0.000 1.275 105 E CA 0.244 56.639 56.400 -0.009 0.000 0.714 105 E CB -1.110 28.582 29.700 -0.012 0.000 1.154 105 E HN 0.462 nan 8.360 nan 0.000 0.363 106 R N 0.287 120.796 120.500 0.014 0.000 2.903 106 R HA 0.333 4.673 4.340 -0.000 0.000 0.363 106 R C 0.607 176.920 176.300 0.021 0.000 1.161 106 R CA 0.219 56.334 56.100 0.027 0.000 1.109 106 R CB 1.132 31.460 30.300 0.047 0.000 1.399 106 R HN 0.364 nan 8.270 nan 0.000 0.587 107 G N 1.984 110.791 108.800 0.012 0.000 2.728 107 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.294 107 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.294 107 G C -2.849 172.055 174.900 0.006 0.000 1.342 107 G CA -1.182 43.924 45.100 0.009 0.000 0.866 107 G HN 0.134 nan 8.290 nan 0.000 0.534 108 P HA 0.593 nan 4.420 nan 0.000 0.281 108 P C 0.117 177.417 177.300 0.000 0.000 1.264 108 P CA -0.778 62.322 63.100 -0.001 0.000 0.824 108 P CB 0.676 32.374 31.700 -0.004 0.000 1.092 109 I N 1.667 122.234 120.570 -0.006 0.000 2.416 109 I HA 0.071 4.241 4.170 -0.000 0.000 0.288 109 I C 0.927 177.035 176.117 -0.014 0.000 1.051 109 I CA -0.228 61.067 61.300 -0.008 0.000 1.375 109 I CB 0.378 38.367 38.000 -0.019 0.000 1.407 109 I HN 0.179 nan 8.210 nan 0.000 0.516 110 K N 5.194 125.590 120.400 -0.008 0.000 2.989 110 K HA 0.052 4.372 4.320 -0.000 0.000 0.264 110 K C 0.195 176.780 176.600 -0.024 0.000 1.228 110 K CA -0.180 56.101 56.287 -0.010 0.000 1.186 110 K CB -0.467 32.033 32.500 0.001 0.000 1.409 110 K HN 0.609 nan 8.250 nan 0.000 0.271 111 S N 0.135 115.811 115.700 -0.039 0.000 2.505 111 S HA 0.138 4.608 4.470 -0.000 0.000 0.276 111 S C 0.765 175.326 174.600 -0.065 0.000 1.274 111 S CA -0.692 57.467 58.200 -0.068 0.000 1.053 111 S CB 1.511 64.661 63.200 -0.084 0.000 0.919 111 S HN 0.315 nan 8.310 nan 0.000 0.490 112 K N 2.243 122.597 120.400 -0.076 0.000 2.005 112 K HA 0.195 4.515 4.320 -0.000 0.000 0.206 112 K C 0.453 177.008 176.600 -0.076 0.000 1.044 112 K CA 0.751 57.003 56.287 -0.059 0.000 0.942 112 K CB -0.160 32.314 32.500 -0.043 0.000 0.727 112 K HN 0.520 nan 8.250 nan 0.000 0.439 113 L N 0.165 121.311 121.223 -0.129 0.000 2.304 113 L HA 0.420 4.760 4.340 -0.000 0.000 0.268 113 L C -0.346 176.423 176.870 -0.169 0.000 1.010 113 L CA -0.975 53.784 54.840 -0.135 0.000 0.813 113 L CB 1.814 43.786 42.059 -0.145 0.000 1.315 113 L HN 0.025 nan 8.230 nan 0.000 0.445 114 R N 1.012 121.434 120.500 -0.130 0.000 2.604 114 R HA 0.478 4.818 4.340 -0.000 0.000 0.281 114 R C -1.596 174.647 176.300 -0.095 0.000 1.020 114 R CA -0.876 55.150 56.100 -0.124 0.000 0.899 114 R CB 2.497 32.747 30.300 -0.083 0.000 1.205 114 R HN 0.492 nan 8.270 nan 0.000 0.450 115 K N 2.806 123.145 120.400 -0.102 0.000 2.371 115 K HA 0.445 4.765 4.320 -0.000 0.000 0.251 115 K C -2.666 173.902 176.600 -0.053 0.000 0.934 115 K CA -2.128 54.121 56.287 -0.062 0.000 0.798 115 K CB 2.424 34.893 32.500 -0.051 0.000 1.204 115 K HN 0.211 nan 8.250 nan 0.000 0.427 116 P HA -0.006 nan 4.420 nan 0.000 0.268 116 P C 0.858 178.129 177.300 -0.048 0.000 1.205 116 P CA -0.353 62.737 63.100 -0.017 0.000 0.771 116 P CB 0.350 32.064 31.700 0.024 0.000 0.858 117 I N 0.232 120.739 120.570 -0.105 0.000 3.001 117 I HA -0.033 4.137 4.170 -0.000 0.000 0.268 117 I C -0.001 175.954 176.117 -0.270 0.000 1.267 117 I CA 1.391 62.568 61.300 -0.205 0.000 1.472 117 I CB -1.202 36.630 38.000 -0.281 0.000 1.089 117 I HN 0.275 nan 8.210 nan 0.000 0.468 118 H N 2.912 121.973 119.070 -0.016 0.000 2.641 118 H HA 0.763 5.319 4.556 -0.000 0.000 0.295 118 H C -0.462 174.860 175.328 -0.010 0.000 1.070 118 H CA -0.166 55.876 56.048 -0.010 0.000 1.257 118 H CB 1.220 30.982 29.762 -0.001 0.000 1.393 118 H HN 0.401 nan 8.280 nan 0.000 0.464 119 A N 3.814 126.687 122.820 0.087 0.000 2.520 119 A HA 0.285 4.605 4.320 -0.000 0.000 0.298 119 A C -0.617 176.990 177.584 0.039 0.000 1.051 119 A CA -0.959 51.107 52.037 0.049 0.000 0.690 119 A CB 1.492 20.503 19.000 0.019 0.000 1.281 119 A HN 0.490 nan 8.150 nan 0.000 0.402 120 D N 3.127 123.546 120.400 0.032 0.000 2.414 120 D HA 0.337 4.977 4.640 -0.000 0.000 0.242 120 D C -1.799 174.512 176.300 0.020 0.000 1.129 120 D CA -0.103 53.913 54.000 0.027 0.000 0.885 120 D CB 0.687 41.502 40.800 0.024 0.000 1.198 120 D HN 0.381 nan 8.370 nan 0.000 0.437 121 P HA 0.199 nan 4.420 nan 0.000 0.272 121 P C -2.565 174.749 177.300 0.023 0.000 1.230 121 P CA -1.058 62.052 63.100 0.018 0.000 0.788 121 P CB -0.476 31.240 31.700 0.026 0.000 0.949 122 P HA 0.048 nan 4.420 nan 0.000 0.266 122 P C 0.563 177.886 177.300 0.038 0.000 1.195 122 P CA 0.285 63.396 63.100 0.018 0.000 0.768 122 P CB 0.242 31.947 31.700 0.007 0.000 0.838 123 S N 1.817 117.541 115.700 0.040 0.000 2.617 123 S HA 0.048 4.518 4.470 -0.000 0.000 0.255 123 S C 0.964 175.630 174.600 0.110 0.000 1.318 123 S CA -0.405 57.841 58.200 0.076 0.000 0.978 123 S CB -0.166 63.073 63.200 0.065 0.000 0.961 123 S HN 0.418 nan 8.310 nan 0.000 0.582 124 F N 1.632 121.585 119.950 0.005 0.000 2.146 124 F HA 0.101 4.628 4.527 -0.000 0.000 0.298 124 F C 2.178 177.980 175.800 0.003 0.000 1.096 124 F CA 1.725 59.728 58.000 0.005 0.000 1.275 124 F CB -1.092 37.911 39.000 0.005 0.000 1.008 124 F HN 0.573 nan 8.300 nan 0.000 0.480 125 A N 0.222 122.920 122.820 -0.203 0.000 1.969 125 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 125 A C 2.099 179.550 177.584 -0.222 0.000 1.169 125 A CA 1.642 53.500 52.037 -0.299 0.000 0.635 125 A CB -0.838 18.102 19.000 -0.101 0.000 0.810 125 A HN 0.567 nan 8.150 nan 0.000 0.445 126 E N 0.333 120.459 120.200 -0.123 0.000 2.153 126 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 126 E C 0.106 176.648 176.600 -0.097 0.000 0.988 126 E CA 0.241 56.591 56.400 -0.084 0.000 0.811 126 E CB -0.124 29.552 29.700 -0.040 0.000 0.746 126 E HN 0.570 nan 8.360 nan 0.000 0.466 127 Q N 1.154 120.878 119.800 -0.126 0.000 2.304 127 Q HA 0.008 4.348 4.340 -0.000 0.000 0.315 127 Q C -0.266 175.671 176.000 -0.104 0.000 1.075 127 Q CA 0.579 56.322 55.803 -0.101 0.000 0.988 127 Q CB 1.123 29.794 28.738 -0.111 0.000 1.146 127 Q HN -0.041 nan 8.270 nan 0.000 0.383 128 S N 1.289 116.953 115.700 -0.060 0.000 2.503 128 S HA 0.572 5.042 4.470 -0.000 0.000 0.301 128 S C -0.730 173.852 174.600 -0.031 0.000 1.087 128 S CA -0.622 57.549 58.200 -0.049 0.000 1.042 128 S CB 1.126 64.305 63.200 -0.035 0.000 1.043 128 S HN 0.572 nan 8.310 nan 0.000 0.489 129 T N 1.015 115.552 114.554 -0.028 0.000 2.794 129 T HA 0.721 5.071 4.350 -0.000 0.000 0.280 129 T C -0.370 174.326 174.700 -0.006 0.000 0.987 129 T CA -0.738 61.354 62.100 -0.013 0.000 0.993 129 T CB 1.371 70.232 68.868 -0.012 0.000 0.939 129 T HN 0.447 nan 8.240 nan 0.000 0.449 130 S N 1.012 116.713 115.700 0.002 0.000 2.548 130 S HA 0.671 5.141 4.470 -0.000 0.000 0.276 130 S C -0.608 173.999 174.600 0.011 0.000 1.129 130 S CA -0.486 57.717 58.200 0.006 0.000 0.931 130 S CB 1.225 64.430 63.200 0.008 0.000 1.068 130 S HN 1.307 nan 8.310 nan 0.000 0.480 131 A N 3.562 126.389 122.820 0.011 0.000 2.959 131 A HA 0.478 4.798 4.320 -0.000 0.000 0.280 131 A C -0.219 177.373 177.584 0.013 0.000 0.953 131 A CA -0.392 51.653 52.037 0.014 0.000 1.047 131 A CB -0.050 18.956 19.000 0.010 0.000 1.147 131 A HN 0.750 nan 8.150 nan 0.000 0.489 132 E N 0.727 120.938 120.200 0.019 0.000 2.197 132 E HA 0.417 4.767 4.350 -0.000 0.000 0.281 132 E C -0.419 176.198 176.600 0.029 0.000 0.995 132 E CA -0.718 55.694 56.400 0.020 0.000 0.808 132 E CB 0.905 30.619 29.700 0.022 0.000 1.093 132 E HN 0.501 nan 8.360 nan 0.000 0.394 133 I N 5.004 125.586 120.570 0.020 0.000 2.618 133 I HA 0.067 4.237 4.170 -0.000 0.000 0.284 133 I C -1.216 174.931 176.117 0.050 0.000 1.146 133 I CA 0.078 61.392 61.300 0.023 0.000 1.425 133 I CB 0.466 38.463 38.000 -0.006 0.000 1.383 133 I HN 0.455 nan 8.210 nan 0.000 0.562 134 L N 8.001 129.270 121.223 0.078 0.000 2.296 134 L HA 0.526 4.866 4.340 -0.000 0.000 0.286 134 L C -0.347 176.586 176.870 0.104 0.000 1.023 134 L CA -0.099 54.806 54.840 0.108 0.000 0.812 134 L CB 1.191 43.341 42.059 0.151 0.000 1.223 134 L HN 0.776 nan 8.230 nan 0.000 0.421 135 E N 1.629 121.885 120.200 0.093 0.000 2.283 135 E HA 0.418 4.768 4.350 -0.000 0.000 0.271 135 E C -0.067 176.593 176.600 0.099 0.000 1.031 135 E CA 0.475 56.922 56.400 0.078 0.000 0.868 135 E CB 1.201 30.941 29.700 0.066 0.000 1.094 135 E HN 0.837 nan 8.360 nan 0.000 0.401 136 T N -0.787 113.814 114.554 0.078 0.000 3.105 136 T HA 0.311 4.661 4.350 -0.000 0.000 0.257 136 T C 1.143 175.881 174.700 0.063 0.000 0.949 136 T CA 0.428 62.583 62.100 0.091 0.000 0.959 136 T CB 0.568 69.504 68.868 0.115 0.000 1.205 136 T HN 0.738 nan 8.240 nan 0.000 0.496 137 G N 1.784 110.614 108.800 0.050 0.000 2.148 137 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.203 137 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.203 137 G C -0.141 174.791 174.900 0.054 0.000 0.993 137 G CA -0.102 45.027 45.100 0.047 0.000 0.661 137 G HN 0.693 nan 8.290 nan 0.000 0.518 138 I N 0.716 121.319 120.570 0.056 0.000 2.339 138 I HA 0.290 4.460 4.170 -0.000 0.000 0.290 138 I C 1.555 177.689 176.117 0.028 0.000 0.994 138 I CA -0.909 60.444 61.300 0.088 0.000 1.191 138 I CB 1.457 39.538 38.000 0.136 0.000 1.343 138 I HN -0.045 nan 8.210 nan 0.000 0.458 139 K N 3.435 123.833 120.400 -0.004 0.000 2.001 139 K HA -0.187 4.133 4.320 -0.000 0.000 0.214 139 K C 1.834 178.391 176.600 -0.071 0.000 1.050 139 K CA 1.519 57.786 56.287 -0.034 0.000 0.934 139 K CB -0.123 32.333 32.500 -0.074 0.000 0.718 139 K HN 0.572 nan 8.250 nan 0.000 0.443 140 V N 1.019 120.909 119.914 -0.040 0.000 2.392 140 V HA -0.213 3.907 4.120 -0.000 0.000 0.249 140 V C 1.967 178.019 176.094 -0.070 0.000 1.059 140 V CA 1.656 63.920 62.300 -0.061 0.000 1.051 140 V CB 0.013 31.847 31.823 0.018 0.000 0.658 140 V HN 0.147 nan 8.190 nan 0.000 0.455 141 V N 0.061 119.953 119.914 -0.037 0.000 2.283 141 V HA -0.103 4.017 4.120 -0.000 0.000 0.239 141 V C 2.316 178.320 176.094 -0.149 0.000 1.035 141 V CA 2.043 64.273 62.300 -0.116 0.000 1.018 141 V CB -0.807 30.911 31.823 -0.175 0.000 0.658 141 V HN 0.503 nan 8.190 nan 0.000 0.459 142 D N 0.020 120.356 120.400 -0.107 0.000 2.280 142 D HA -0.170 4.470 4.640 -0.000 0.000 0.206 142 D C 1.710 178.049 176.300 0.064 0.000 0.988 142 D CA 1.299 55.278 54.000 -0.036 0.000 0.886 142 D CB -0.056 40.748 40.800 0.007 0.000 0.914 142 D HN 0.356 nan 8.370 nan 0.000 0.473 143 L N -0.342 120.855 121.223 -0.043 0.000 2.194 143 L HA 0.097 4.437 4.340 -0.000 0.000 0.197 143 L C 2.035 178.888 176.870 -0.028 0.000 1.106 143 L CA 0.958 55.730 54.840 -0.114 0.000 0.785 143 L CB -0.581 41.258 42.059 -0.367 0.000 0.960 143 L HN -0.093 nan 8.230 nan 0.000 0.465 144 L N 0.111 121.259 121.223 -0.124 0.000 2.156 144 L HA 0.105 4.445 4.340 -0.000 0.000 0.208 144 L C 0.649 177.487 176.870 -0.053 0.000 1.095 144 L CA 0.794 55.571 54.840 -0.105 0.000 0.770 144 L CB -0.579 41.404 42.059 -0.126 0.000 0.914 144 L HN 0.421 nan 8.230 nan 0.000 0.439 145 A N 0.159 122.946 122.820 -0.054 0.000 3.005 145 A HA 0.467 4.787 4.320 -0.000 0.000 0.308 145 A C -2.685 174.829 177.584 -0.116 0.000 1.173 145 A CA -0.867 51.143 52.037 -0.044 0.000 0.796 145 A CB 0.199 19.191 19.000 -0.014 0.000 1.325 145 A HN -0.170 nan 8.150 nan 0.000 0.467 146 P HA 0.295 nan 4.420 nan 0.000 0.276 146 P C -0.698 176.589 177.300 -0.021 0.000 1.235 146 P CA 0.196 63.227 63.100 -0.114 0.000 0.772 146 P CB 0.449 32.109 31.700 -0.067 0.000 0.871 147 Y N 1.314 121.640 120.300 0.044 0.000 2.426 147 Y HA 0.334 4.884 4.550 -0.000 0.000 0.344 147 Y C 1.256 177.167 175.900 0.019 0.000 1.256 147 Y CA -0.743 57.377 58.100 0.034 0.000 1.451 147 Y CB -0.087 38.397 38.460 0.039 0.000 1.342 147 Y HN 0.403 nan 8.280 nan 0.000 0.600 148 A N 2.873 125.810 122.820 0.194 0.000 2.288 148 A HA 0.512 4.832 4.320 -0.000 0.000 0.320 148 A C 0.003 177.627 177.584 0.066 0.000 1.217 148 A CA -0.974 51.121 52.037 0.098 0.000 0.840 148 A CB 0.352 19.392 19.000 0.067 0.000 1.179 148 A HN 0.792 nan 8.150 nan 0.000 0.504 149 R N 2.015 122.554 120.500 0.064 0.000 2.404 149 R HA 0.382 4.722 4.340 -0.000 0.000 0.315 149 R C 1.201 177.524 176.300 0.037 0.000 1.032 149 R CA 1.542 57.677 56.100 0.058 0.000 0.992 149 R CB -0.070 30.277 30.300 0.078 0.000 0.959 149 R HN 1.675 nan 8.270 nan 0.000 0.428 150 G N 2.467 111.277 108.800 0.016 0.000 2.195 150 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 150 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 150 G C 0.296 175.187 174.900 -0.015 0.000 0.984 150 G CA -0.144 44.959 45.100 0.006 0.000 0.633 150 G HN 0.923 nan 8.290 nan 0.000 0.525 151 G N -0.442 108.348 108.800 -0.017 0.000 2.537 151 G HA2 0.585 4.545 3.960 -0.000 0.000 0.297 151 G HA3 0.585 4.545 3.960 -0.000 0.000 0.297 151 G C -0.233 174.633 174.900 -0.057 0.000 1.310 151 G CA -0.630 44.459 45.100 -0.018 0.000 1.027 151 G HN 0.367 nan 8.290 nan 0.000 0.505 152 K N 0.240 120.615 120.400 -0.043 0.000 2.253 152 K HA 0.380 4.700 4.320 -0.000 0.000 0.277 152 K C -0.571 175.976 176.600 -0.088 0.000 1.053 152 K CA -0.099 56.143 56.287 -0.076 0.000 0.892 152 K CB 1.720 34.198 32.500 -0.037 0.000 1.102 152 K HN 0.252 nan 8.250 nan 0.000 0.469 153 I N 1.614 122.074 120.570 -0.184 0.000 2.392 153 I HA 0.298 4.468 4.170 -0.000 0.000 0.295 153 I C 0.590 176.576 176.117 -0.218 0.000 0.985 153 I CA -0.614 60.535 61.300 -0.253 0.000 1.221 153 I CB 1.798 39.465 38.000 -0.554 0.000 1.366 153 I HN 0.630 nan 8.210 nan 0.000 0.467 154 G N 6.658 115.380 108.800 -0.129 0.000 2.470 154 G HA2 0.544 4.504 3.960 -0.000 0.000 0.320 154 G HA3 0.544 4.504 3.960 -0.000 0.000 0.320 154 G C -1.028 173.801 174.900 -0.117 0.000 1.245 154 G CA -0.326 44.678 45.100 -0.160 0.000 0.935 154 G HN 0.450 nan 8.290 nan 0.000 0.476 155 L N 3.976 125.043 121.223 -0.259 0.000 2.445 155 L HA 0.510 4.850 4.340 -0.000 0.000 0.252 155 L C -0.912 175.809 176.870 -0.249 0.000 1.105 155 L CA -0.533 54.187 54.840 -0.200 0.000 0.943 155 L CB -0.088 41.859 42.059 -0.185 0.000 1.277 155 L HN 0.349 nan 8.230 nan 0.000 0.465 156 F N 1.927 121.761 119.950 -0.194 0.000 2.426 156 F HA 0.666 5.193 4.527 -0.000 0.000 0.309 156 F C 1.307 177.008 175.800 -0.165 0.000 1.246 156 F CA 0.708 58.596 58.000 -0.186 0.000 1.229 156 F CB 1.156 40.046 39.000 -0.184 0.000 1.255 156 F HN 0.489 nan 8.300 nan 0.000 0.558 157 G N -0.586 108.239 108.800 0.041 0.000 2.368 157 G HA2 0.451 4.411 3.960 -0.000 0.000 0.303 157 G HA3 0.451 4.411 3.960 -0.000 0.000 0.303 157 G C -0.858 173.955 174.900 -0.145 0.000 1.590 157 G CA -0.478 44.595 45.100 -0.044 0.000 0.938 157 G HN 0.939 nan 8.290 nan 0.000 0.675 158 G N -0.639 108.074 108.800 -0.146 0.000 2.543 158 G HA2 0.770 4.730 3.960 -0.000 0.000 0.267 158 G HA3 0.770 4.730 3.960 -0.000 0.000 0.267 158 G C 0.612 175.479 174.900 -0.055 0.000 1.406 158 G CA 0.412 45.369 45.100 -0.239 0.000 1.048 158 G HN 1.884 nan 8.290 nan 0.000 0.548 159 A N -1.134 121.710 122.820 0.040 0.000 2.396 159 A HA 0.555 4.875 4.320 -0.000 0.000 0.279 159 A C 1.145 178.806 177.584 0.128 0.000 1.165 159 A CA 0.761 52.916 52.037 0.197 0.000 0.824 159 A CB -0.684 18.453 19.000 0.228 0.000 1.100 159 A HN 2.477 nan 8.150 nan 0.000 0.516 160 G N 1.274 110.160 108.800 0.143 0.000 2.368 160 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.290 160 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.290 160 G C 0.302 175.270 174.900 0.113 0.000 1.098 160 G CA 0.540 45.723 45.100 0.138 0.000 1.073 160 G HN 2.166 nan 8.290 nan 0.000 0.511 161 V N -2.628 117.340 119.914 0.089 0.000 3.346 161 V HA 0.702 4.822 4.120 -0.000 0.000 0.309 161 V C 1.574 177.705 176.094 0.062 0.000 1.457 161 V CA 0.658 62.983 62.300 0.042 0.000 1.069 161 V CB 0.224 32.042 31.823 -0.008 0.000 0.944 161 V HN 2.331 nan 8.190 nan 0.000 0.449 162 G N 1.390 110.248 108.800 0.098 0.000 2.203 162 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.231 162 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.231 162 G C 0.543 175.511 174.900 0.113 0.000 1.058 162 G CA 0.592 45.740 45.100 0.081 0.000 0.781 162 G HN 0.489 nan 8.290 nan 0.000 0.496 163 K N -0.681 119.783 120.400 0.107 0.000 2.007 163 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 163 K C 2.620 179.315 176.600 0.158 0.000 1.047 163 K CA 1.756 58.107 56.287 0.107 0.000 0.937 163 K CB -0.317 32.231 32.500 0.080 0.000 0.718 163 K HN 0.335 nan 8.250 nan 0.000 0.438 164 T N 1.579 116.228 114.554 0.157 0.000 2.803 164 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 164 T C 2.070 176.864 174.700 0.157 0.000 1.052 164 T CA 1.179 63.384 62.100 0.175 0.000 1.136 164 T CB -0.256 68.720 68.868 0.181 0.000 0.864 164 T HN -0.055 nan 8.240 nan 0.000 0.467 165 V N 0.718 120.712 119.914 0.133 0.000 2.261 165 V HA -0.119 4.001 4.120 -0.000 0.000 0.246 165 V C 1.957 178.053 176.094 0.003 0.000 1.047 165 V CA 1.541 63.883 62.300 0.069 0.000 1.015 165 V CB -0.814 30.979 31.823 -0.050 0.000 0.642 165 V HN 0.360 nan 8.190 nan 0.000 0.446 166 F N 1.223 121.103 119.950 -0.117 0.000 2.065 166 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 166 F C 2.213 177.954 175.800 -0.100 0.000 1.112 166 F CA 2.520 60.406 58.000 -0.189 0.000 1.212 166 F CB -0.225 38.709 39.000 -0.110 0.000 0.975 166 F HN 0.219 nan 8.300 nan 0.000 0.476 167 I N -1.855 118.858 120.570 0.237 0.000 2.830 167 I HA -0.169 4.001 4.170 -0.000 0.000 0.263 167 I C 1.809 177.971 176.117 0.076 0.000 1.230 167 I CA 1.094 62.519 61.300 0.209 0.000 1.480 167 I CB -0.748 37.414 38.000 0.270 0.000 1.095 167 I HN 0.283 nan 8.210 nan 0.000 0.455 168 Q N 0.916 120.733 119.800 0.029 0.000 2.378 168 Q HA -0.144 4.196 4.340 -0.000 0.000 0.205 168 Q C 1.820 177.772 176.000 -0.080 0.000 0.954 168 Q CA 0.998 56.785 55.803 -0.028 0.000 0.901 168 Q CB 0.185 28.930 28.738 0.011 0.000 0.981 168 Q HN 0.547 nan 8.270 nan 0.000 0.483 169 E N 0.551 120.660 120.200 -0.152 0.000 2.190 169 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 169 E C 1.675 178.188 176.600 -0.145 0.000 0.978 169 E CA 0.451 56.728 56.400 -0.206 0.000 0.839 169 E CB 0.059 29.465 29.700 -0.490 0.000 0.787 169 E HN 0.231 nan 8.360 nan 0.000 0.473 170 L N 0.391 121.549 121.223 -0.107 0.000 2.017 170 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 170 L C 2.229 179.137 176.870 0.063 0.000 1.073 170 L CA 0.693 55.562 54.840 0.047 0.000 0.745 170 L CB -0.474 41.714 42.059 0.215 0.000 0.894 170 L HN 0.234 nan 8.230 nan 0.000 0.432 171 I N 0.601 121.126 120.570 -0.076 0.000 2.194 171 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 171 I C 2.306 178.371 176.117 -0.087 0.000 1.093 171 I CA 1.720 62.887 61.300 -0.221 0.000 1.355 171 I CB -1.206 36.581 38.000 -0.355 0.000 1.046 171 I HN 0.433 nan 8.210 nan 0.000 0.413 172 N N 1.267 119.929 118.700 -0.064 0.000 2.309 172 N HA -0.151 4.589 4.740 -0.000 0.000 0.182 172 N C 1.373 176.883 175.510 0.001 0.000 1.018 172 N CA 1.364 54.395 53.050 -0.033 0.000 0.876 172 N CB -0.019 38.450 38.487 -0.030 0.000 0.972 172 N HN 0.256 nan 8.380 nan 0.000 0.434 173 N N -0.734 117.976 118.700 0.017 0.000 2.454 173 N HA 0.217 4.957 4.740 -0.000 0.000 0.177 173 N C 1.364 176.919 175.510 0.076 0.000 1.049 173 N CA 0.421 53.497 53.050 0.043 0.000 0.887 173 N CB 0.424 38.936 38.487 0.041 0.000 1.095 173 N HN 0.298 nan 8.380 nan 0.000 0.446 174 I N 0.307 120.941 120.570 0.106 0.000 2.499 174 I HA 0.086 4.256 4.170 -0.000 0.000 0.243 174 I C 2.212 178.421 176.117 0.154 0.000 1.085 174 I CA 0.473 61.860 61.300 0.145 0.000 1.422 174 I CB -0.404 37.708 38.000 0.186 0.000 1.165 174 I HN -0.062 nan 8.210 nan 0.000 0.440 175 A N 1.225 124.134 122.820 0.148 0.000 1.917 175 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 175 A C 2.360 180.008 177.584 0.106 0.000 1.182 175 A CA 2.212 54.331 52.037 0.137 0.000 0.633 175 A CB -0.662 18.379 19.000 0.068 0.000 0.819 175 A HN 0.355 nan 8.150 nan 0.000 0.448 176 K N -0.753 119.687 120.400 0.067 0.000 2.057 176 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 176 K C 2.148 178.778 176.600 0.049 0.000 1.049 176 K CA 1.270 57.582 56.287 0.043 0.000 0.931 176 K CB -0.268 32.246 32.500 0.025 0.000 0.714 176 K HN 0.425 nan 8.250 nan 0.000 0.440 177 A N 0.411 123.273 122.820 0.070 0.000 1.878 177 A HA -0.078 4.242 4.320 -0.000 0.000 0.213 177 A C 0.795 178.418 177.584 0.065 0.000 1.192 177 A CA 0.300 52.371 52.037 0.056 0.000 0.619 177 A CB -0.641 18.395 19.000 0.059 0.000 0.837 177 A HN 0.461 nan 8.150 nan 0.000 0.446 178 H N 1.046 120.128 119.070 0.020 0.000 3.125 178 H HA 0.176 4.732 4.556 -0.000 0.000 0.310 178 H C 0.640 175.958 175.328 -0.018 0.000 0.980 178 H CA 0.883 56.939 56.048 0.012 0.000 1.422 178 H CB 0.243 30.028 29.762 0.039 0.000 1.432 178 H HN 0.283 nan 8.280 nan 0.000 0.577 179 G N 2.439 111.015 108.800 -0.372 0.000 2.504 179 G HA2 0.475 4.435 3.960 -0.000 0.000 0.288 179 G HA3 0.475 4.435 3.960 -0.000 0.000 0.288 179 G C 0.051 174.803 174.900 -0.246 0.000 1.182 179 G CA 0.209 45.156 45.100 -0.256 0.000 0.894 179 G HN 1.019 nan 8.290 nan 0.000 0.521 180 G N -0.857 107.789 108.800 -0.256 0.000 2.615 180 G HA2 0.046 4.006 3.960 -0.000 0.000 0.218 180 G HA3 0.046 4.006 3.960 -0.000 0.000 0.218 180 G C -0.246 174.424 174.900 -0.384 0.000 1.339 180 G CA -0.349 44.521 45.100 -0.383 0.000 0.884 180 G HN 0.764 nan 8.290 nan 0.000 0.559 181 F N 0.671 120.542 119.950 -0.131 0.000 2.375 181 F HA 0.707 5.234 4.527 -0.000 0.000 0.313 181 F C 1.163 176.892 175.800 -0.119 0.000 1.176 181 F CA 0.173 58.008 58.000 -0.276 0.000 1.142 181 F CB 1.741 40.233 39.000 -0.847 0.000 1.275 181 F HN 0.476 nan 8.300 nan 0.000 0.544 182 S N 0.035 115.801 115.700 0.111 0.000 2.540 182 S HA 0.657 5.127 4.470 -0.000 0.000 0.275 182 S C -1.429 173.272 174.600 0.168 0.000 1.123 182 S CA -0.752 57.541 58.200 0.156 0.000 0.907 182 S CB 2.064 65.389 63.200 0.209 0.000 1.081 182 S HN 0.299 nan 8.310 nan 0.000 0.476 183 V N 3.453 123.491 119.914 0.207 0.000 2.443 183 V HA 0.502 4.622 4.120 -0.000 0.000 0.293 183 V C -1.221 175.015 176.094 0.236 0.000 1.021 183 V CA -0.579 61.841 62.300 0.200 0.000 0.848 183 V CB 1.102 33.025 31.823 0.168 0.000 0.998 183 V HN 0.841 nan 8.190 nan 0.000 0.424 184 F N 3.959 123.948 119.950 0.064 0.000 2.411 184 F HA 0.674 5.201 4.527 -0.000 0.000 0.352 184 F C 0.395 176.095 175.800 -0.167 0.000 1.123 184 F CA -0.036 57.965 58.000 0.001 0.000 1.044 184 F CB 1.589 40.547 39.000 -0.070 0.000 1.135 184 F HN 0.465 nan 8.300 nan 0.000 0.461 185 T N 4.594 118.868 114.554 -0.467 0.000 2.779 185 T HA 0.518 4.868 4.350 -0.000 0.000 0.280 185 T C 0.091 174.476 174.700 -0.525 0.000 0.987 185 T CA -0.662 61.201 62.100 -0.393 0.000 0.966 185 T CB 1.337 70.043 68.868 -0.271 0.000 0.933 185 T HN 0.844 nan 8.240 nan 0.000 0.442 186 G N 1.896 110.405 108.800 -0.484 0.000 2.504 186 G HA2 0.520 4.480 3.960 -0.000 0.000 0.326 186 G HA3 0.520 4.480 3.960 -0.000 0.000 0.326 186 G C -0.551 174.351 174.900 0.003 0.000 1.073 186 G CA -0.442 44.538 45.100 -0.200 0.000 1.030 186 G HN 0.667 nan 8.290 nan 0.000 0.448 187 V N 2.525 122.437 119.914 -0.004 0.000 2.313 187 V HA 0.599 4.719 4.120 -0.000 0.000 0.278 187 V C 1.101 177.230 176.094 0.058 0.000 1.017 187 V CA 0.172 62.486 62.300 0.023 0.000 0.823 187 V CB 0.746 32.560 31.823 -0.015 0.000 1.010 187 V HN 1.279 nan 8.190 nan 0.000 0.443 188 G N 3.246 112.090 108.800 0.074 0.000 2.273 188 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.280 188 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.280 188 G C 0.043 174.985 174.900 0.070 0.000 1.047 188 G CA 0.261 45.395 45.100 0.057 0.000 0.869 188 G HN 0.588 nan 8.290 nan 0.000 0.502 189 E N -0.746 119.525 120.200 0.119 0.000 2.281 189 E HA 0.423 4.773 4.350 -0.000 0.000 0.257 189 E C 0.812 177.486 176.600 0.123 0.000 0.971 189 E CA -1.034 55.446 56.400 0.132 0.000 0.839 189 E CB 0.879 30.694 29.700 0.192 0.000 1.238 189 E HN 0.427 nan 8.360 nan 0.000 0.412 190 R N 0.264 120.831 120.500 0.111 0.000 2.449 190 R HA 0.100 4.440 4.340 -0.000 0.000 0.296 190 R C 1.104 177.441 176.300 0.062 0.000 1.047 190 R CA 0.161 56.308 56.100 0.078 0.000 1.018 190 R CB 0.102 30.448 30.300 0.077 0.000 0.962 190 R HN 0.430 nan 8.270 nan 0.000 0.428 191 T N 2.937 117.498 114.554 0.012 0.000 2.867 191 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 191 T C 1.780 176.425 174.700 -0.090 0.000 1.057 191 T CA 1.616 63.677 62.100 -0.066 0.000 1.136 191 T CB -0.105 68.717 68.868 -0.077 0.000 0.874 191 T HN 0.641 nan 8.240 nan 0.000 0.466 192 R N 1.744 122.222 120.500 -0.037 0.000 2.120 192 R HA -0.027 4.313 4.340 -0.000 0.000 0.234 192 R C 1.833 178.121 176.300 -0.020 0.000 1.123 192 R CA 1.643 57.723 56.100 -0.032 0.000 0.975 192 R CB -0.336 29.958 30.300 -0.009 0.000 0.866 192 R HN 0.369 nan 8.270 nan 0.000 0.446 193 E N 0.202 120.410 120.200 0.014 0.000 2.299 193 E HA 0.021 4.371 4.350 -0.000 0.000 0.193 193 E C 1.938 178.559 176.600 0.035 0.000 0.998 193 E CA 0.645 57.072 56.400 0.045 0.000 0.851 193 E CB 0.182 29.942 29.700 0.100 0.000 0.795 193 E HN 0.643 nan 8.360 nan 0.000 0.492 194 G N 1.360 110.149 108.800 -0.019 0.000 2.421 194 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 194 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 194 G C 1.453 176.224 174.900 -0.215 0.000 1.143 194 G CA 0.798 45.812 45.100 -0.144 0.000 0.784 194 G HN 0.189 nan 8.290 nan 0.000 0.541 195 N N 1.087 119.682 118.700 -0.176 0.000 2.142 195 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 195 N C 1.556 177.072 175.510 0.009 0.000 1.023 195 N CA 1.670 54.675 53.050 -0.074 0.000 0.852 195 N CB -0.179 38.266 38.487 -0.069 0.000 0.998 195 N HN 0.116 nan 8.380 nan 0.000 0.424 196 D N -0.133 120.260 120.400 -0.011 0.000 2.219 196 D HA -0.110 4.530 4.640 -0.000 0.000 0.205 196 D C 1.773 178.061 176.300 -0.019 0.000 0.970 196 D CA 0.449 54.444 54.000 -0.008 0.000 0.851 196 D CB -0.265 40.534 40.800 -0.002 0.000 0.943 196 D HN 0.303 nan 8.370 nan 0.000 0.488 197 L N -0.412 120.796 121.223 -0.025 0.000 2.240 197 L HA -0.084 4.255 4.340 -0.000 0.000 0.211 197 L C 1.930 178.786 176.870 -0.024 0.000 1.106 197 L CA 1.115 55.906 54.840 -0.081 0.000 0.793 197 L CB -0.293 41.651 42.059 -0.191 0.000 0.927 197 L HN -0.033 nan 8.230 nan 0.000 0.446 198 Y N -0.425 119.819 120.300 -0.094 0.000 2.420 198 Y HA -0.030 4.520 4.550 -0.000 0.000 0.292 198 Y C 2.673 178.539 175.900 -0.056 0.000 1.119 198 Y CA 1.279 59.340 58.100 -0.064 0.000 1.229 198 Y CB -0.055 38.368 38.460 -0.061 0.000 1.026 198 Y HN 0.141 nan 8.280 nan 0.000 0.554 199 R N -0.017 120.428 120.500 -0.092 0.000 2.100 199 R HA -0.082 4.258 4.340 -0.000 0.000 0.220 199 R C 2.005 178.222 176.300 -0.138 0.000 1.091 199 R CA 1.096 57.107 56.100 -0.148 0.000 0.986 199 R CB -0.072 30.191 30.300 -0.060 0.000 0.888 199 R HN 0.222 nan 8.270 nan 0.000 0.444 200 E N 0.417 120.558 120.200 -0.099 0.000 2.110 200 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 200 E C 1.882 178.420 176.600 -0.104 0.000 0.988 200 E CA 1.331 57.678 56.400 -0.087 0.000 0.804 200 E CB 0.025 29.681 29.700 -0.072 0.000 0.745 200 E HN 0.438 nan 8.360 nan 0.000 0.458 201 M N -0.273 119.250 119.600 -0.129 0.000 2.388 201 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 201 M C 2.052 178.268 176.300 -0.140 0.000 1.088 201 M CA 0.798 56.026 55.300 -0.120 0.000 1.134 201 M CB 0.086 32.624 32.600 -0.103 0.000 1.384 201 M HN -0.093 nan 8.290 nan 0.000 0.447 202 K N 0.450 120.720 120.400 -0.217 0.000 2.031 202 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 202 K C 1.766 178.284 176.600 -0.136 0.000 1.049 202 K CA 1.136 57.291 56.287 -0.219 0.000 0.939 202 K CB -0.012 32.276 32.500 -0.352 0.000 0.717 202 K HN 0.357 nan 8.250 nan 0.000 0.438 203 E N 0.119 120.246 120.200 -0.123 0.000 2.106 203 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 203 E C 1.932 178.494 176.600 -0.063 0.000 0.984 203 E CA 1.239 57.590 56.400 -0.082 0.000 0.806 203 E CB -0.013 29.644 29.700 -0.072 0.000 0.750 203 E HN 0.268 nan 8.360 nan 0.000 0.458 204 T N -0.900 113.615 114.554 -0.065 0.000 2.588 204 T HA -0.056 4.294 4.350 -0.000 0.000 0.261 204 T C 1.532 176.207 174.700 -0.042 0.000 1.069 204 T CA 1.639 63.710 62.100 -0.048 0.000 1.172 204 T CB -0.169 68.669 68.868 -0.049 0.000 0.863 204 T HN 0.462 nan 8.240 nan 0.000 0.408 205 G N -0.813 107.959 108.800 -0.047 0.000 3.658 205 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.220 205 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.220 205 G C 1.103 175.985 174.900 -0.030 0.000 0.917 205 G CA 0.260 45.339 45.100 -0.036 0.000 0.865 205 G HN 0.347 nan 8.290 nan 0.000 0.652 206 V N 1.341 121.234 119.914 -0.034 0.000 2.287 206 V HA 0.043 4.163 4.120 -0.000 0.000 0.248 206 V C 1.653 177.741 176.094 -0.011 0.000 1.053 206 V CA 1.651 63.938 62.300 -0.022 0.000 1.027 206 V CB -0.477 31.327 31.823 -0.032 0.000 0.646 206 V HN 0.453 nan 8.190 nan 0.000 0.447 207 I N 0.525 121.077 120.570 -0.030 0.000 2.577 207 I HA 0.380 4.550 4.170 -0.000 0.000 0.305 207 I C -0.107 175.995 176.117 -0.026 0.000 0.986 207 I CA -0.242 61.049 61.300 -0.016 0.000 1.189 207 I CB 1.301 39.278 38.000 -0.039 0.000 1.355 207 I HN 0.114 nan 8.210 nan 0.000 0.476 208 N N 4.899 123.598 118.700 -0.001 0.000 2.581 208 N HA 0.306 5.046 4.740 -0.000 0.000 0.279 208 N C 0.368 175.885 175.510 0.011 0.000 1.124 208 N CA -0.338 52.710 53.050 -0.003 0.000 0.833 208 N CB 1.475 39.965 38.487 0.005 0.000 1.338 208 N HN 0.585 nan 8.380 nan 0.000 0.533 209 L N 1.685 122.908 121.223 0.001 0.000 2.051 209 L HA -0.132 4.208 4.340 -0.000 0.000 0.214 209 L C 0.578 177.461 176.870 0.021 0.000 1.076 209 L CA 1.464 56.314 54.840 0.018 0.000 0.758 209 L CB 0.011 42.074 42.059 0.007 0.000 0.890 209 L HN 0.491 nan 8.230 nan 0.000 0.433 210 E N -0.662 119.545 120.200 0.013 0.000 2.939 210 E HA 0.360 4.710 4.350 -0.000 0.000 0.215 210 E C 0.308 176.917 176.600 0.015 0.000 1.025 210 E CA -0.131 56.278 56.400 0.014 0.000 1.259 210 E CB 0.789 30.494 29.700 0.009 0.000 1.228 210 E HN 0.383 nan 8.360 nan 0.000 0.443 211 G N 0.340 109.152 108.800 0.020 0.000 2.664 211 G HA2 0.220 4.180 3.960 -0.000 0.000 0.303 211 G HA3 0.220 4.180 3.960 -0.000 0.000 0.303 211 G C -1.304 173.615 174.900 0.033 0.000 1.243 211 G CA -0.753 44.360 45.100 0.021 0.000 0.826 211 G HN 0.048 nan 8.290 nan 0.000 0.498 212 E N 0.534 120.754 120.200 0.033 0.000 2.174 212 E HA 0.507 4.857 4.350 -0.000 0.000 0.282 212 E C -0.631 175.998 176.600 0.048 0.000 0.992 212 E CA -0.206 56.223 56.400 0.049 0.000 0.803 212 E CB 1.579 31.308 29.700 0.049 0.000 1.090 212 E HN 0.241 nan 8.360 nan 0.000 0.396 213 S N 2.500 118.242 115.700 0.070 0.000 2.541 213 S HA 0.224 4.694 4.470 -0.000 0.000 0.283 213 S C 0.429 175.085 174.600 0.094 0.000 1.196 213 S CA -0.793 57.449 58.200 0.070 0.000 1.062 213 S CB 1.246 64.495 63.200 0.081 0.000 1.009 213 S HN 0.395 nan 8.310 nan 0.000 0.502 214 K N 1.154 121.596 120.400 0.069 0.000 2.498 214 K HA 0.399 4.719 4.320 -0.000 0.000 0.207 214 K C -0.705 175.951 176.600 0.094 0.000 1.033 214 K CA 0.024 56.352 56.287 0.070 0.000 1.138 214 K CB 0.776 33.272 32.500 -0.007 0.000 0.860 214 K HN 0.307 nan 8.250 nan 0.000 0.490 215 V N 0.109 120.087 119.914 0.107 0.000 2.969 215 V HA 0.656 4.776 4.120 -0.000 0.000 0.304 215 V C -1.828 174.343 176.094 0.128 0.000 1.192 215 V CA -0.748 61.619 62.300 0.111 0.000 0.962 215 V CB 1.962 33.837 31.823 0.088 0.000 1.045 215 V HN 0.152 nan 8.190 nan 0.000 0.428 216 A N 6.535 129.442 122.820 0.145 0.000 2.337 216 A HA 0.924 5.244 4.320 -0.000 0.000 0.329 216 A C -1.214 176.463 177.584 0.155 0.000 1.146 216 A CA -0.644 51.487 52.037 0.158 0.000 0.800 216 A CB 1.255 20.372 19.000 0.194 0.000 1.220 216 A HN 0.883 nan 8.150 nan 0.000 0.472 217 L N 2.576 123.884 121.223 0.142 0.000 2.333 217 L HA 0.587 4.927 4.340 -0.000 0.000 0.280 217 L C -0.982 175.935 176.870 0.079 0.000 1.004 217 L CA -0.815 54.104 54.840 0.131 0.000 0.820 217 L CB 1.851 44.038 42.059 0.213 0.000 1.247 217 L HN 0.442 nan 8.230 nan 0.000 0.416 218 V N 3.272 123.160 119.914 -0.043 0.000 2.604 218 V HA 0.543 4.663 4.120 -0.000 0.000 0.305 218 V C -0.830 175.122 176.094 -0.236 0.000 1.043 218 V CA -0.535 61.729 62.300 -0.060 0.000 0.888 218 V CB 2.042 33.827 31.823 -0.063 0.000 0.995 218 V HN 0.396 nan 8.190 nan 0.000 0.429 219 F N 1.441 121.421 119.950 0.050 0.000 2.588 219 F HA 0.817 5.344 4.527 -0.000 0.000 0.310 219 F C 0.544 176.358 175.800 0.022 0.000 1.082 219 F CA -0.565 57.465 58.000 0.050 0.000 0.929 219 F CB 2.739 41.760 39.000 0.035 0.000 1.254 219 F HN 0.569 nan 8.300 nan 0.000 0.455 220 G N 2.961 111.914 108.800 0.255 0.000 4.220 220 G HA2 0.207 4.167 3.960 -0.000 0.000 0.256 220 G HA3 0.207 4.167 3.960 -0.000 0.000 0.256 220 G C -0.812 174.169 174.900 0.135 0.000 1.520 220 G CA -0.544 44.641 45.100 0.142 0.000 0.608 220 G HN 0.295 nan 8.290 nan 0.000 0.415 221 Q N 0.531 120.429 119.800 0.163 0.000 2.697 221 Q HA 0.151 4.491 4.340 -0.000 0.000 0.196 221 Q C 2.191 178.233 176.000 0.070 0.000 1.121 221 Q CA -0.206 55.678 55.803 0.134 0.000 1.151 221 Q CB 0.362 29.169 28.738 0.116 0.000 1.250 221 Q HN 0.689 nan 8.270 nan 0.000 0.658 222 M N -0.270 119.363 119.600 0.055 0.000 2.686 222 M HA -0.053 4.427 4.480 -0.000 0.000 0.246 222 M C 0.827 177.137 176.300 0.017 0.000 1.096 222 M CA 1.136 56.453 55.300 0.027 0.000 1.076 222 M CB -0.395 32.218 32.600 0.020 0.000 1.504 222 M HN 0.374 nan 8.290 nan 0.000 0.524 223 N N 1.067 119.778 118.700 0.019 0.000 2.300 223 N HA -0.031 4.709 4.740 -0.000 0.000 0.179 223 N C -0.022 175.492 175.510 0.007 0.000 1.016 223 N CA 0.608 53.664 53.050 0.009 0.000 0.876 223 N CB -0.339 38.150 38.487 0.004 0.000 0.979 223 N HN 0.569 nan 8.380 nan 0.000 0.432 224 E N 1.982 122.190 120.200 0.013 0.000 2.349 224 E HA 0.258 4.608 4.350 -0.000 0.000 0.265 224 E C -2.122 174.481 176.600 0.004 0.000 1.064 224 E CA -2.031 54.375 56.400 0.010 0.000 0.886 224 E CB 0.690 30.400 29.700 0.018 0.000 1.036 224 E HN 0.239 nan 8.360 nan 0.000 0.413 225 P HA -0.086 nan 4.420 nan 0.000 0.271 225 P C -2.219 175.075 177.300 -0.010 0.000 1.233 225 P CA -0.866 62.230 63.100 -0.006 0.000 0.795 225 P CB -0.123 31.574 31.700 -0.005 0.000 0.936 226 P HA -0.210 nan 4.420 nan 0.000 0.215 226 P C 1.735 179.020 177.300 -0.024 0.000 1.163 226 P CA 2.424 65.504 63.100 -0.033 0.000 0.894 226 P CB -0.734 30.941 31.700 -0.041 0.000 0.791 227 G N -0.333 108.459 108.800 -0.014 0.000 2.503 227 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.221 227 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.221 227 G C 1.630 176.537 174.900 0.012 0.000 1.131 227 G CA 1.208 46.308 45.100 -0.000 0.000 0.756 227 G HN 0.385 nan 8.290 nan 0.000 0.572 228 A N 1.014 123.840 122.820 0.010 0.000 1.845 228 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 228 A C 2.487 180.087 177.584 0.026 0.000 1.195 228 A CA 1.897 53.944 52.037 0.018 0.000 0.616 228 A CB -0.406 18.604 19.000 0.017 0.000 0.832 228 A HN 0.320 nan 8.150 nan 0.000 0.443 229 R N -0.042 120.471 120.500 0.022 0.000 2.120 229 R HA 0.039 4.379 4.340 -0.000 0.000 0.234 229 R C 2.276 178.620 176.300 0.073 0.000 1.123 229 R CA 1.242 57.362 56.100 0.034 0.000 0.975 229 R CB -0.615 29.691 30.300 0.011 0.000 0.866 229 R HN 0.512 nan 8.270 nan 0.000 0.446 230 A N 0.726 123.579 122.820 0.054 0.000 1.933 230 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 230 A C 1.701 179.423 177.584 0.230 0.000 1.175 230 A CA 1.291 53.392 52.037 0.106 0.000 0.628 230 A CB -0.071 18.925 19.000 -0.007 0.000 0.814 230 A HN 0.069 nan 8.150 nan 0.000 0.444 231 R N -1.412 119.154 120.500 0.111 0.000 2.335 231 R HA 0.156 4.496 4.340 -0.000 0.000 0.210 231 R C 1.699 177.997 176.300 -0.004 0.000 0.892 231 R CA 0.749 56.883 56.100 0.056 0.000 1.048 231 R CB -0.848 29.469 30.300 0.030 0.000 1.067 231 R HN 0.384 nan 8.270 nan 0.000 0.524 232 V N 1.350 121.272 119.914 0.013 0.000 2.626 232 V HA -0.107 4.013 4.120 -0.000 0.000 0.252 232 V C 2.057 178.117 176.094 -0.056 0.000 1.067 232 V CA 1.864 64.156 62.300 -0.015 0.000 1.081 232 V CB -0.226 31.604 31.823 0.011 0.000 0.686 232 V HN 0.273 nan 8.190 nan 0.000 0.468 233 A N -0.292 122.491 122.820 -0.062 0.000 1.898 233 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 233 A C 2.084 179.547 177.584 -0.200 0.000 1.181 233 A CA 1.840 53.782 52.037 -0.158 0.000 0.620 233 A CB -0.502 18.352 19.000 -0.242 0.000 0.819 233 A HN 0.553 nan 8.150 nan 0.000 0.442 234 L N -0.652 120.458 121.223 -0.187 0.000 2.201 234 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 234 L C 2.686 179.458 176.870 -0.163 0.000 1.105 234 L CA 1.462 56.182 54.840 -0.200 0.000 0.775 234 L CB -0.631 41.293 42.059 -0.225 0.000 0.913 234 L HN 0.330 nan 8.230 nan 0.000 0.440 235 T N -0.465 114.011 114.554 -0.131 0.000 2.674 235 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 235 T C 1.794 176.438 174.700 -0.093 0.000 1.039 235 T CA 1.500 63.537 62.100 -0.105 0.000 1.150 235 T CB -0.511 68.313 68.868 -0.074 0.000 0.864 235 T HN 0.536 nan 8.240 nan 0.000 0.427 236 G N 0.588 109.332 108.800 -0.093 0.000 2.534 236 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.217 236 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.217 236 G C 1.460 176.317 174.900 -0.073 0.000 1.128 236 G CA 0.187 45.241 45.100 -0.076 0.000 0.784 236 G HN 0.349 nan 8.290 nan 0.000 0.542 237 L N 0.832 121.993 121.223 -0.104 0.000 2.109 237 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 237 L C 2.966 179.794 176.870 -0.069 0.000 1.086 237 L CA 1.925 56.705 54.840 -0.100 0.000 0.760 237 L CB -0.541 41.434 42.059 -0.140 0.000 0.910 237 L HN 0.145 nan 8.230 nan 0.000 0.437 238 T N -0.175 114.331 114.554 -0.080 0.000 2.737 238 T HA -0.111 4.239 4.350 -0.000 0.000 0.265 238 T C 1.938 176.596 174.700 -0.070 0.000 1.038 238 T CA 1.415 63.472 62.100 -0.071 0.000 1.144 238 T CB -0.207 68.607 68.868 -0.090 0.000 0.866 238 T HN 0.129 nan 8.240 nan 0.000 0.434 239 I N 2.047 122.567 120.570 -0.083 0.000 2.264 239 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 239 I C 2.859 178.954 176.117 -0.037 0.000 1.111 239 I CA 1.167 62.397 61.300 -0.116 0.000 1.382 239 I CB -1.717 36.264 38.000 -0.030 0.000 1.060 239 I HN 0.202 nan 8.210 nan 0.000 0.418 240 A N 0.552 123.416 122.820 0.073 0.000 1.897 240 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 240 A C 2.262 179.922 177.584 0.126 0.000 1.181 240 A CA 1.173 53.316 52.037 0.178 0.000 0.620 240 A CB -0.555 18.496 19.000 0.085 0.000 0.821 240 A HN 0.445 nan 8.150 nan 0.000 0.443 241 E N -1.710 118.512 120.200 0.037 0.000 2.153 241 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 241 E C 1.755 178.358 176.600 0.006 0.000 0.988 241 E CA 1.251 57.662 56.400 0.019 0.000 0.811 241 E CB -0.256 29.441 29.700 -0.005 0.000 0.746 241 E HN 0.781 nan 8.360 nan 0.000 0.466 242 Y N 0.141 120.333 120.300 -0.180 0.000 2.200 242 Y HA -0.226 4.324 4.550 -0.000 0.000 0.290 242 Y C 1.711 177.470 175.900 -0.234 0.000 1.137 242 Y CA 1.437 59.376 58.100 -0.268 0.000 1.163 242 Y CB -0.140 38.052 38.460 -0.447 0.000 0.988 242 Y HN -0.041 nan 8.280 nan 0.000 0.518 243 F N -0.063 119.905 119.950 0.029 0.000 2.333 243 F HA -0.112 4.415 4.527 -0.000 0.000 0.300 243 F C 2.573 178.377 175.800 0.008 0.000 1.083 243 F CA 1.560 59.549 58.000 -0.020 0.000 1.395 243 F CB -0.571 38.428 39.000 -0.002 0.000 1.056 243 F HN 0.010 nan 8.300 nan 0.000 0.529 244 R N 0.361 120.943 120.500 0.137 0.000 2.041 244 R HA -0.066 4.274 4.340 -0.000 0.000 0.221 244 R C 1.859 178.153 176.300 -0.011 0.000 1.196 244 R CA 1.388 57.533 56.100 0.075 0.000 0.969 244 R CB -0.419 29.916 30.300 0.058 0.000 0.858 244 R HN 0.035 nan 8.270 nan 0.000 0.444 245 D N 0.679 121.040 120.400 -0.065 0.000 2.081 245 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 245 D C 1.947 178.151 176.300 -0.161 0.000 0.986 245 D CA 1.314 55.255 54.000 -0.097 0.000 0.837 245 D CB -0.183 40.561 40.800 -0.094 0.000 0.985 245 D HN 0.259 nan 8.370 nan 0.000 0.448 246 E N 0.269 120.273 120.200 -0.327 0.000 2.112 246 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 246 E C 1.957 178.370 176.600 -0.311 0.000 0.979 246 E CA 0.576 56.730 56.400 -0.409 0.000 0.814 246 E CB -0.065 29.162 29.700 -0.789 0.000 0.762 246 E HN 0.235 nan 8.360 nan 0.000 0.460 247 E N 0.008 120.033 120.200 -0.290 0.000 2.318 247 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 247 E C 0.453 177.082 176.600 0.048 0.000 0.998 247 E CA 0.645 57.013 56.400 -0.054 0.000 0.859 247 E CB 0.085 29.848 29.700 0.106 0.000 0.812 247 E HN 0.268 nan 8.360 nan 0.000 0.492 248 G N 1.708 110.520 108.800 0.020 0.000 2.372 248 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.297 248 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.297 248 G C -0.247 174.707 174.900 0.090 0.000 1.005 248 G CA 0.640 45.764 45.100 0.041 0.000 1.173 248 G HN 0.141 nan 8.290 nan 0.000 0.511 249 Q N -0.661 119.230 119.800 0.151 0.000 2.496 249 Q HA 0.413 4.753 4.340 -0.000 0.000 0.286 249 Q C -0.943 175.147 176.000 0.150 0.000 1.103 249 Q CA -0.894 55.013 55.803 0.174 0.000 0.813 249 Q CB 1.431 30.381 28.738 0.354 0.000 1.444 249 Q HN 0.277 nan 8.270 nan 0.000 0.443 250 D N 1.049 121.512 120.400 0.106 0.000 2.393 250 D HA 0.254 4.894 4.640 -0.000 0.000 0.232 250 D C -0.546 175.888 176.300 0.224 0.000 1.192 250 D CA 0.008 54.089 54.000 0.134 0.000 0.882 250 D CB 0.681 41.515 40.800 0.057 0.000 1.038 250 D HN 0.047 nan 8.370 nan 0.000 0.499 251 V N 3.162 123.190 119.914 0.189 0.000 2.546 251 V HA 0.231 4.351 4.120 -0.000 0.000 0.284 251 V C 0.491 176.613 176.094 0.047 0.000 1.050 251 V CA -0.736 61.660 62.300 0.159 0.000 0.981 251 V CB 1.632 33.554 31.823 0.164 0.000 0.990 251 V HN 0.416 nan 8.190 nan 0.000 0.474 252 L N 5.560 126.778 121.223 -0.008 0.000 2.337 252 L HA 0.486 4.826 4.340 -0.000 0.000 0.269 252 L C -0.870 175.916 176.870 -0.140 0.000 1.018 252 L CA -0.614 54.110 54.840 -0.195 0.000 0.876 252 L CB 1.242 43.151 42.059 -0.250 0.000 1.236 252 L HN 0.553 nan 8.230 nan 0.000 0.436 253 L N 4.432 125.493 121.223 -0.270 0.000 2.312 253 L HA 0.523 4.863 4.340 -0.000 0.000 0.281 253 L C -1.279 175.303 176.870 -0.481 0.000 1.070 253 L CA 0.422 55.131 54.840 -0.218 0.000 0.805 253 L CB 1.133 43.090 42.059 -0.170 0.000 1.174 253 L HN 0.270 nan 8.230 nan 0.000 0.434 254 F N 5.966 125.798 119.950 -0.198 0.000 2.460 254 F HA 0.537 5.064 4.527 -0.000 0.000 0.341 254 F C -0.239 175.219 175.800 -0.569 0.000 1.130 254 F CA -0.427 57.371 58.000 -0.336 0.000 0.962 254 F CB 1.264 40.106 39.000 -0.264 0.000 1.171 254 F HN 0.222 nan 8.300 nan 0.000 0.436 255 I N 2.947 123.328 120.570 -0.315 0.000 2.389 255 I HA 0.433 4.603 4.170 -0.000 0.000 0.288 255 I C -1.274 174.674 176.117 -0.282 0.000 0.999 255 I CA -0.508 60.589 61.300 -0.339 0.000 1.129 255 I CB 1.903 39.748 38.000 -0.258 0.000 1.288 255 I HN 0.436 nan 8.210 nan 0.000 0.444 256 D N 5.449 125.673 120.400 -0.293 0.000 2.738 256 D HA 0.199 4.839 4.640 -0.000 0.000 0.218 256 D C -1.447 174.832 176.300 -0.034 0.000 1.345 256 D CA -0.389 53.538 54.000 -0.122 0.000 0.943 256 D CB 1.303 42.069 40.800 -0.057 0.000 1.514 256 D HN 0.374 nan 8.370 nan 0.000 0.585 257 N N 4.551 123.264 118.700 0.021 0.000 2.362 257 N HA 0.214 4.954 4.740 -0.000 0.000 0.298 257 N C 0.776 176.310 175.510 0.039 0.000 1.048 257 N CA -0.549 52.522 53.050 0.035 0.000 0.858 257 N CB 1.644 40.197 38.487 0.111 0.000 1.218 257 N HN 0.517 nan 8.380 nan 0.000 0.488 258 I N 3.370 123.943 120.570 0.005 0.000 2.614 258 I HA -0.168 4.002 4.170 -0.000 0.000 0.258 258 I C 1.370 177.570 176.117 0.138 0.000 1.189 258 I CA 0.840 62.143 61.300 0.004 0.000 1.462 258 I CB -0.399 37.548 38.000 -0.088 0.000 1.092 258 I HN 0.539 nan 8.210 nan 0.000 0.442 259 F N 2.446 122.423 119.950 0.045 0.000 2.186 259 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 259 F C 2.323 178.186 175.800 0.106 0.000 1.090 259 F CA 1.178 59.241 58.000 0.104 0.000 1.307 259 F CB -0.374 38.727 39.000 0.168 0.000 1.019 259 F HN -0.048 nan 8.300 nan 0.000 0.489 260 R N 0.128 120.595 120.500 -0.055 0.000 2.303 260 R HA -0.208 4.132 4.340 -0.000 0.000 0.225 260 R C 2.027 178.235 176.300 -0.154 0.000 1.114 260 R CA 1.159 57.153 56.100 -0.177 0.000 1.007 260 R CB -1.828 28.462 30.300 -0.017 0.000 0.861 260 R HN 0.494 nan 8.270 nan 0.000 0.471 261 F N 1.401 121.229 119.950 -0.204 0.000 2.163 261 F HA -0.092 4.435 4.527 -0.000 0.000 0.297 261 F C 1.832 177.531 175.800 -0.169 0.000 1.094 261 F CA 1.408 59.317 58.000 -0.152 0.000 1.290 261 F CB -0.295 38.638 39.000 -0.113 0.000 1.017 261 F HN -0.145 nan 8.300 nan 0.000 0.483 262 T N 0.223 114.500 114.554 -0.462 0.000 2.896 262 T HA -0.168 4.182 4.350 -0.000 0.000 0.263 262 T C 1.889 176.356 174.700 -0.388 0.000 1.050 262 T CA 1.311 63.123 62.100 -0.481 0.000 1.140 262 T CB -0.320 68.437 68.868 -0.185 0.000 0.877 262 T HN 0.415 nan 8.240 nan 0.000 0.457 263 Q N 0.896 120.360 119.800 -0.560 0.000 2.050 263 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 263 Q C 2.500 178.335 176.000 -0.275 0.000 0.980 263 Q CA 1.509 57.049 55.803 -0.438 0.000 0.840 263 Q CB -0.314 28.063 28.738 -0.601 0.000 0.898 263 Q HN 0.529 nan 8.270 nan 0.000 0.424 264 A N 0.219 122.874 122.820 -0.274 0.000 2.024 264 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 264 A C 2.125 179.593 177.584 -0.193 0.000 1.164 264 A CA 1.596 53.519 52.037 -0.190 0.000 0.643 264 A CB -0.975 17.934 19.000 -0.151 0.000 0.806 264 A HN 0.609 nan 8.150 nan 0.000 0.451 265 G N -0.323 108.317 108.800 -0.267 0.000 2.408 265 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.215 265 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.215 265 G C 1.895 176.717 174.900 -0.130 0.000 1.156 265 G CA 1.418 46.386 45.100 -0.220 0.000 0.793 265 G HN 0.822 nan 8.290 nan 0.000 0.535 266 S N 0.356 115.983 115.700 -0.123 0.000 2.436 266 S HA 0.033 4.503 4.470 -0.000 0.000 0.228 266 S C 1.874 176.412 174.600 -0.104 0.000 1.014 266 S CA 1.228 59.367 58.200 -0.102 0.000 0.950 266 S CB -0.145 62.952 63.200 -0.171 0.000 0.784 266 S HN 0.514 nan 8.310 nan 0.000 0.504 267 E N 0.998 121.133 120.200 -0.108 0.000 2.058 267 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 267 E C 2.123 178.686 176.600 -0.062 0.000 0.997 267 E CA 1.765 58.115 56.400 -0.083 0.000 0.801 267 E CB -0.265 29.388 29.700 -0.079 0.000 0.746 267 E HN 0.671 nan 8.360 nan 0.000 0.450 268 V N -2.219 117.658 119.914 -0.062 0.000 3.650 268 V HA 0.109 4.229 4.120 -0.000 0.000 0.271 268 V C 1.966 178.037 176.094 -0.039 0.000 1.281 268 V CA 0.861 63.134 62.300 -0.045 0.000 1.120 268 V CB 0.666 32.464 31.823 -0.041 0.000 0.856 268 V HN 0.061 nan 8.190 nan 0.000 0.443 269 S N 1.195 116.868 115.700 -0.045 0.000 2.419 269 S HA -0.105 4.365 4.470 -0.000 0.000 0.235 269 S C 2.061 176.648 174.600 -0.021 0.000 1.019 269 S CA 1.832 60.013 58.200 -0.031 0.000 0.982 269 S CB -0.275 62.908 63.200 -0.028 0.000 0.789 269 S HN 0.950 nan 8.310 nan 0.000 0.490 270 A N 1.155 123.960 122.820 -0.025 0.000 1.872 270 A HA 0.205 4.525 4.320 -0.000 0.000 0.214 270 A C 2.038 179.614 177.584 -0.014 0.000 1.187 270 A CA 0.992 53.018 52.037 -0.018 0.000 0.614 270 A CB -0.651 18.336 19.000 -0.023 0.000 0.826 270 A HN 0.552 nan 8.150 nan 0.000 0.442 271 L N -0.349 120.864 121.223 -0.016 0.000 2.465 271 L HA 0.011 4.351 4.340 -0.000 0.000 0.224 271 L C 1.705 178.570 176.870 -0.008 0.000 1.145 271 L CA 0.256 55.089 54.840 -0.012 0.000 0.834 271 L CB -0.282 41.769 42.059 -0.014 0.000 0.944 271 L HN 0.327 nan 8.230 nan 0.000 0.451 272 L N -0.178 121.039 121.223 -0.009 0.000 2.591 272 L HA 0.155 4.495 4.340 -0.000 0.000 0.228 272 L C 1.196 178.066 176.870 0.000 0.000 1.133 272 L CA 0.338 55.175 54.840 -0.005 0.000 0.880 272 L CB -0.308 41.747 42.059 -0.008 0.000 1.033 272 L HN 0.428 nan 8.230 nan 0.000 0.450 273 G N 1.270 110.070 108.800 -0.000 0.000 2.248 273 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.263 273 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.263 273 G C -0.044 174.859 174.900 0.005 0.000 1.082 273 G CA -0.296 44.806 45.100 0.003 0.000 0.863 273 G HN 0.380 nan 8.290 nan 0.000 0.495 274 R N -0.429 120.073 120.500 0.003 0.000 2.514 274 R HA 0.537 4.877 4.340 -0.000 0.000 0.301 274 R C 0.689 176.994 176.300 0.008 0.000 0.962 274 R CA -1.167 54.937 56.100 0.006 0.000 0.882 274 R CB 1.340 31.643 30.300 0.006 0.000 1.143 274 R HN 0.161 nan 8.270 nan 0.000 0.452 275 I N 5.020 125.597 120.570 0.011 0.000 2.662 275 I HA 0.028 4.198 4.170 -0.000 0.000 0.285 275 I C -1.644 174.484 176.117 0.019 0.000 1.161 275 I CA -2.049 59.259 61.300 0.014 0.000 1.415 275 I CB -0.082 37.927 38.000 0.015 0.000 1.385 275 I HN 0.343 nan 8.210 nan 0.000 0.552 276 P HA -0.002 nan 4.420 nan 0.000 0.260 276 P C 0.330 177.654 177.300 0.040 0.000 1.185 276 P CA 0.269 63.383 63.100 0.023 0.000 0.763 276 P CB 0.835 32.543 31.700 0.014 0.000 0.776 277 S N 2.831 118.568 115.700 0.061 0.000 2.423 277 S HA 0.393 4.863 4.470 -0.000 0.000 0.244 277 S C 0.397 175.053 174.600 0.094 0.000 1.267 277 S CA -0.061 58.186 58.200 0.078 0.000 0.988 277 S CB -0.078 63.184 63.200 0.103 0.000 0.978 277 S HN 0.588 nan 8.310 nan 0.000 0.506 278 A N 0.009 122.897 122.820 0.114 0.000 2.363 278 A HA 0.523 4.843 4.320 -0.000 0.000 0.270 278 A C 0.678 178.387 177.584 0.208 0.000 1.121 278 A CA -0.029 52.082 52.037 0.122 0.000 0.800 278 A CB -0.163 18.894 19.000 0.094 0.000 1.052 278 A HN 1.544 nan 8.150 nan 0.000 0.493 279 V N 1.444 121.455 119.914 0.162 0.000 4.868 279 V HA -0.290 3.830 4.120 -0.000 0.000 0.274 279 V C 1.606 177.754 176.094 0.090 0.000 0.450 279 V CA 1.556 63.965 62.300 0.182 0.000 0.773 279 V CB -2.472 29.542 31.823 0.317 0.000 0.704 279 V HN 2.847 nan 8.190 nan 0.000 1.326 280 G N -2.510 106.316 108.800 0.044 0.000 2.155 280 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.257 280 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.257 280 G C -0.146 174.675 174.900 -0.131 0.000 0.983 280 G CA 0.614 45.677 45.100 -0.061 0.000 0.676 280 G HN 0.885 nan 8.290 nan 0.000 0.528 281 Y N 0.686 121.002 120.300 0.027 0.000 2.340 281 Y HA 0.506 5.056 4.550 -0.000 0.000 0.327 281 Y C 1.205 177.103 175.900 -0.003 0.000 1.321 281 Y CA -0.208 57.900 58.100 0.013 0.000 1.433 281 Y CB 0.432 38.911 38.460 0.032 0.000 1.373 281 Y HN 0.345 nan 8.280 nan 0.000 0.538 282 Q N 1.537 121.440 119.800 0.171 0.000 2.299 282 Q HA 0.204 4.544 4.340 -0.000 0.000 0.246 282 Q C -2.556 173.489 176.000 0.075 0.000 0.935 282 Q CA -1.964 53.884 55.803 0.075 0.000 0.887 282 Q CB 1.144 29.896 28.738 0.023 0.000 1.223 282 Q HN 0.351 nan 8.270 nan 0.000 0.439 283 P HA -0.057 nan 4.420 nan 0.000 0.230 283 P C 0.722 178.042 177.300 0.034 0.000 1.158 283 P CA 1.333 64.458 63.100 0.042 0.000 0.769 283 P CB 0.094 31.812 31.700 0.031 0.000 0.807 284 T N -4.617 109.954 114.554 0.028 0.000 3.105 284 T HA 0.159 4.509 4.350 -0.000 0.000 0.253 284 T C 1.445 176.159 174.700 0.024 0.000 1.047 284 T CA -0.307 61.807 62.100 0.023 0.000 0.944 284 T CB -0.903 67.974 68.868 0.015 0.000 1.016 284 T HN 0.004 nan 8.240 nan 0.000 0.544 285 L N 1.274 122.511 121.223 0.023 0.000 2.021 285 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 285 L C 2.779 179.670 176.870 0.035 0.000 1.074 285 L CA 2.053 56.900 54.840 0.011 0.000 0.760 285 L CB -0.735 41.318 42.059 -0.010 0.000 0.889 285 L HN 0.379 nan 8.230 nan 0.000 0.433 286 A N -0.474 122.372 122.820 0.043 0.000 1.858 286 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 286 A C 2.367 180.006 177.584 0.092 0.000 1.190 286 A CA 2.591 54.670 52.037 0.070 0.000 0.617 286 A CB -1.307 17.726 19.000 0.055 0.000 0.827 286 A HN 0.655 nan 8.150 nan 0.000 0.443 287 T N -2.648 111.949 114.554 0.072 0.000 2.896 287 T HA -0.081 4.269 4.350 -0.000 0.000 0.263 287 T C 1.356 176.110 174.700 0.089 0.000 1.050 287 T CA 1.333 63.478 62.100 0.076 0.000 1.140 287 T CB -0.453 68.448 68.868 0.055 0.000 0.877 287 T HN 0.312 nan 8.240 nan 0.000 0.457 288 D N 1.289 121.743 120.400 0.089 0.000 2.106 288 D HA -0.091 4.549 4.640 -0.000 0.000 0.191 288 D C 1.923 178.360 176.300 0.229 0.000 0.997 288 D CA 1.271 55.353 54.000 0.137 0.000 0.834 288 D CB -0.448 40.388 40.800 0.061 0.000 0.956 288 D HN 0.396 nan 8.370 nan 0.000 0.448 289 M N 0.060 119.782 119.600 0.204 0.000 2.374 289 M HA -0.027 4.453 4.480 -0.000 0.000 0.264 289 M C 1.848 178.122 176.300 -0.043 0.000 1.067 289 M CA 1.540 56.933 55.300 0.155 0.000 1.103 289 M CB 0.046 32.712 32.600 0.110 0.000 1.402 289 M HN 0.032 nan 8.290 nan 0.000 0.444 290 G N 0.595 109.427 108.800 0.052 0.000 2.394 290 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.215 290 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.215 290 G C 1.294 176.216 174.900 0.035 0.000 1.165 290 G CA 0.385 45.532 45.100 0.079 0.000 0.784 290 G HN 0.453 nan 8.290 nan 0.000 0.535 291 L N -0.245 121.007 121.223 0.048 0.000 2.549 291 L HA 0.092 4.432 4.340 -0.000 0.000 0.229 291 L C 2.344 179.208 176.870 -0.010 0.000 1.158 291 L CA 0.016 54.880 54.840 0.039 0.000 0.842 291 L CB -0.013 42.088 42.059 0.070 0.000 0.952 291 L HN 0.227 nan 8.230 nan 0.000 0.452 292 L N -1.723 119.456 121.223 -0.073 0.000 2.356 292 L HA 0.037 4.377 4.340 -0.000 0.000 0.193 292 L C 2.397 179.139 176.870 -0.213 0.000 1.087 292 L CA 1.197 55.919 54.840 -0.196 0.000 0.817 292 L CB -0.463 41.352 42.059 -0.406 0.000 1.035 292 L HN 0.022 nan 8.230 nan 0.000 0.482 293 Q N 0.349 119.989 119.800 -0.267 0.000 2.096 293 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 293 Q C 1.952 177.887 176.000 -0.108 0.000 0.982 293 Q CA 1.502 57.138 55.803 -0.278 0.000 0.850 293 Q CB -0.352 27.997 28.738 -0.649 0.000 0.901 293 Q HN 0.547 nan 8.270 nan 0.000 0.422 294 E N 0.491 120.667 120.200 -0.040 0.000 2.265 294 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 294 E C 1.884 178.483 176.600 -0.002 0.000 0.996 294 E CA 0.583 57.001 56.400 0.029 0.000 0.832 294 E CB -0.050 29.686 29.700 0.060 0.000 0.756 294 E HN 0.343 nan 8.360 nan 0.000 0.491 295 R N 0.114 120.590 120.500 -0.040 0.000 2.153 295 R HA 0.101 4.441 4.340 -0.000 0.000 0.218 295 R C 0.984 177.253 176.300 -0.052 0.000 1.072 295 R CA 0.359 56.433 56.100 -0.043 0.000 0.990 295 R CB 0.078 30.340 30.300 -0.063 0.000 0.889 295 R HN 0.098 nan 8.270 nan 0.000 0.452 296 I N 1.534 122.061 120.570 -0.072 0.000 2.241 296 I HA 0.122 4.292 4.170 -0.000 0.000 0.294 296 I C 0.052 176.140 176.117 -0.047 0.000 1.145 296 I CA 0.043 61.298 61.300 -0.075 0.000 1.261 296 I CB 0.715 38.645 38.000 -0.116 0.000 1.475 296 I HN -0.095 nan 8.210 nan 0.000 0.533 297 T N 2.729 117.265 114.554 -0.030 0.000 2.762 297 T HA 0.357 4.707 4.350 -0.000 0.000 0.301 297 T C -0.497 174.196 174.700 -0.012 0.000 1.299 297 T CA -0.293 61.798 62.100 -0.015 0.000 1.005 297 T CB 2.010 70.880 68.868 0.003 0.000 1.377 297 T HN 0.324 nan 8.240 nan 0.000 0.504 298 T N 2.558 117.107 114.554 -0.008 0.000 2.806 298 T HA 0.613 4.963 4.350 -0.000 0.000 0.290 298 T C 0.353 175.047 174.700 -0.011 0.000 0.966 298 T CA -0.381 61.716 62.100 -0.006 0.000 1.060 298 T CB 0.955 69.821 68.868 -0.003 0.000 0.927 298 T HN 0.848 nan 8.240 nan 0.000 0.485 299 T N 0.214 114.762 114.554 -0.011 0.000 2.841 299 T HA 0.472 4.822 4.350 -0.000 0.000 0.276 299 T C 1.148 175.835 174.700 -0.022 0.000 1.003 299 T CA -0.970 61.117 62.100 -0.020 0.000 0.995 299 T CB 1.280 70.137 68.868 -0.019 0.000 1.260 299 T HN 0.397 nan 8.240 nan 0.000 0.581 300 K N 0.048 120.431 120.400 -0.029 0.000 2.211 300 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 300 K C 2.217 178.806 176.600 -0.019 0.000 1.050 300 K CA 0.781 57.051 56.287 -0.028 0.000 0.945 300 K CB 0.002 32.481 32.500 -0.034 0.000 0.732 300 K HN 0.351 nan 8.250 nan 0.000 0.451 301 K N 0.257 120.646 120.400 -0.018 0.000 2.007 301 K HA 0.011 4.331 4.320 -0.000 0.000 0.206 301 K C 1.386 177.985 176.600 -0.002 0.000 1.047 301 K CA 1.119 57.397 56.287 -0.015 0.000 0.937 301 K CB -0.168 32.318 32.500 -0.023 0.000 0.718 301 K HN 0.221 nan 8.250 nan 0.000 0.438 302 G N -0.113 108.689 108.800 0.004 0.000 2.866 302 G HA2 0.432 4.392 3.960 -0.000 0.000 0.289 302 G HA3 0.432 4.392 3.960 -0.000 0.000 0.289 302 G C -1.350 173.564 174.900 0.023 0.000 1.396 302 G CA -0.430 44.684 45.100 0.024 0.000 0.848 302 G HN 0.161 nan 8.290 nan 0.000 0.515 303 S N -1.503 114.221 115.700 0.040 0.000 2.536 303 S HA 0.732 5.202 4.470 -0.000 0.000 0.287 303 S C -1.240 173.385 174.600 0.042 0.000 1.101 303 S CA -0.699 57.522 58.200 0.034 0.000 0.950 303 S CB 1.982 65.204 63.200 0.036 0.000 1.056 303 S HN 0.838 nan 8.310 nan 0.000 0.481 304 V N 2.425 122.346 119.914 0.012 0.000 2.444 304 V HA 0.477 4.597 4.120 -0.000 0.000 0.294 304 V C -0.292 175.765 176.094 -0.061 0.000 1.022 304 V CA -0.533 61.758 62.300 -0.015 0.000 0.850 304 V CB 1.765 33.573 31.823 -0.025 0.000 0.992 304 V HN 1.034 nan 8.190 nan 0.000 0.426 305 T N 3.253 117.742 114.554 -0.109 0.000 2.811 305 T HA 0.204 4.554 4.350 -0.000 0.000 0.309 305 T C 0.234 174.757 174.700 -0.296 0.000 1.005 305 T CA 0.058 62.049 62.100 -0.182 0.000 0.955 305 T CB 0.747 69.487 68.868 -0.213 0.000 0.970 305 T HN 0.595 nan 8.240 nan 0.000 0.496 306 S N 3.341 118.884 115.700 -0.261 0.000 2.410 306 S HA 0.403 4.873 4.470 -0.000 0.000 0.304 306 S C -0.032 174.348 174.600 -0.365 0.000 1.095 306 S CA -0.678 57.334 58.200 -0.313 0.000 1.089 306 S CB 0.144 63.214 63.200 -0.218 0.000 0.968 306 S HN 0.451 nan 8.310 nan 0.000 0.480 307 V N 7.391 127.003 119.914 -0.503 0.000 2.259 307 V HA 0.321 4.441 4.120 -0.000 0.000 0.267 307 V C -0.069 175.848 176.094 -0.294 0.000 1.051 307 V CA -0.544 61.499 62.300 -0.429 0.000 0.830 307 V CB 0.552 32.086 31.823 -0.482 0.000 1.080 307 V HN 0.824 nan 8.190 nan 0.000 0.467 308 Q N 3.007 122.650 119.800 -0.261 0.000 2.257 308 Q HA 0.716 5.056 4.340 -0.000 0.000 0.255 308 Q C 0.061 175.926 176.000 -0.225 0.000 0.920 308 Q CA -0.432 55.233 55.803 -0.231 0.000 0.927 308 Q CB 2.162 30.756 28.738 -0.240 0.000 1.229 308 Q HN 0.765 nan 8.270 nan 0.000 0.433 309 A N 2.769 125.489 122.820 -0.166 0.000 2.309 309 A HA 0.483 4.803 4.320 -0.000 0.000 0.290 309 A C -0.370 177.096 177.584 -0.196 0.000 1.206 309 A CA -0.508 51.436 52.037 -0.155 0.000 0.850 309 A CB 0.509 19.485 19.000 -0.041 0.000 1.118 309 A HN 0.527 nan 8.150 nan 0.000 0.523 310 V N 3.591 123.286 119.914 -0.365 0.000 2.398 310 V HA 0.232 4.352 4.120 -0.000 0.000 0.286 310 V C -0.383 175.581 176.094 -0.216 0.000 1.026 310 V CA -0.510 61.538 62.300 -0.420 0.000 0.868 310 V CB 0.988 32.142 31.823 -1.115 0.000 0.982 310 V HN 0.811 nan 8.190 nan 0.000 0.443 311 Y N 4.907 125.099 120.300 -0.179 0.000 2.301 311 Y HA 0.568 5.118 4.550 -0.000 0.000 0.325 311 Y C -0.130 175.550 175.900 -0.366 0.000 1.203 311 Y CA -0.365 57.586 58.100 -0.248 0.000 1.255 311 Y CB 1.513 39.816 38.460 -0.263 0.000 1.232 311 Y HN 0.374 nan 8.280 nan 0.000 0.501 312 V N 8.172 127.437 119.914 -1.081 0.000 2.305 312 V HA 0.310 4.430 4.120 -0.000 0.000 0.275 312 V C -2.386 173.124 176.094 -0.974 0.000 1.020 312 V CA -2.028 59.831 62.300 -0.735 0.000 0.811 312 V CB 0.815 32.453 31.823 -0.309 0.000 1.031 312 V HN 0.714 nan 8.190 nan 0.000 0.439 313 P HA 0.205 nan 4.420 nan 0.000 0.268 313 P C 0.699 177.934 177.300 -0.109 0.000 1.205 313 P CA 0.664 63.633 63.100 -0.219 0.000 0.771 313 P CB 0.838 32.584 31.700 0.076 0.000 0.858 314 A N 3.328 126.131 122.820 -0.028 0.000 2.816 314 A HA -0.264 4.056 4.320 -0.000 0.000 0.270 314 A C 0.835 178.394 177.584 -0.041 0.000 1.413 314 A CA 1.244 53.278 52.037 -0.005 0.000 0.866 314 A CB -2.665 16.351 19.000 0.028 0.000 1.032 314 A HN 0.616 nan 8.150 nan 0.000 0.642 315 D N -1.573 118.766 120.400 -0.101 0.000 2.911 315 D HA -0.165 4.475 4.640 -0.000 0.000 0.227 315 D C -0.295 175.964 176.300 -0.067 0.000 1.164 315 D CA 2.135 56.078 54.000 -0.095 0.000 0.782 315 D CB -0.942 39.827 40.800 -0.053 0.000 1.094 315 D HN 0.899 nan 8.370 nan 0.000 0.425 316 D N -0.260 120.103 120.400 -0.061 0.000 2.414 316 D HA 0.317 4.957 4.640 -0.000 0.000 0.232 316 D C 1.193 177.482 176.300 -0.018 0.000 1.070 316 D CA -0.546 53.437 54.000 -0.029 0.000 0.839 316 D CB 0.757 41.555 40.800 -0.003 0.000 1.079 316 D HN 0.000 nan 8.370 nan 0.000 0.521 317 L N 2.386 123.601 121.223 -0.013 0.000 2.551 317 L HA -0.024 4.316 4.340 -0.000 0.000 0.228 317 L C 1.973 178.868 176.870 0.041 0.000 1.153 317 L CA 1.011 55.868 54.840 0.028 0.000 0.851 317 L CB -0.166 41.888 42.059 -0.008 0.000 0.959 317 L HN 0.493 nan 8.230 nan 0.000 0.451 318 T N -4.933 109.627 114.554 0.011 0.000 3.144 318 T HA -0.015 4.335 4.350 -0.000 0.000 0.249 318 T C 0.678 175.401 174.700 0.039 0.000 1.089 318 T CA -0.464 61.643 62.100 0.011 0.000 0.989 318 T CB -0.306 68.557 68.868 -0.008 0.000 0.992 318 T HN 0.092 nan 8.240 nan 0.000 0.540 319 D N 2.679 123.113 120.400 0.058 0.000 2.458 319 D HA 0.083 4.723 4.640 -0.000 0.000 0.243 319 D C -1.486 174.838 176.300 0.041 0.000 1.146 319 D CA -1.877 52.174 54.000 0.085 0.000 0.877 319 D CB 1.720 42.589 40.800 0.115 0.000 1.176 319 D HN -0.003 nan 8.370 nan 0.000 0.461 320 P HA -0.192 nan 4.420 nan 0.000 0.217 320 P C 0.865 178.042 177.300 -0.204 0.000 1.151 320 P CA 2.028 65.043 63.100 -0.142 0.000 0.849 320 P CB 0.148 31.698 31.700 -0.251 0.000 0.787 321 A N -0.261 122.359 122.820 -0.334 0.000 1.835 321 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 321 A C -0.038 177.627 177.584 0.134 0.000 1.199 321 A CA 2.105 54.079 52.037 -0.105 0.000 0.615 321 A CB -2.244 16.894 19.000 0.231 0.000 0.838 321 A HN 0.202 nan 8.150 nan 0.000 0.444 322 P HA -0.023 nan 4.420 nan 0.000 0.217 322 P C 1.688 179.191 177.300 0.339 0.000 1.151 322 P CA 1.725 64.973 63.100 0.247 0.000 0.828 322 P CB -0.143 31.689 31.700 0.221 0.000 0.788 323 A N -0.314 122.671 122.820 0.276 0.000 1.859 323 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 323 A C 2.269 180.046 177.584 0.322 0.000 1.198 323 A CA 2.801 55.029 52.037 0.317 0.000 0.629 323 A CB -2.054 17.027 19.000 0.135 0.000 0.830 323 A HN 0.165 nan 8.150 nan 0.000 0.446 324 T N -0.017 114.655 114.554 0.195 0.000 2.803 324 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 324 T C 1.892 176.756 174.700 0.273 0.000 1.052 324 T CA 1.866 64.077 62.100 0.185 0.000 1.136 324 T CB -0.605 68.340 68.868 0.128 0.000 0.864 324 T HN 0.618 nan 8.240 nan 0.000 0.467 325 T N 1.654 116.372 114.554 0.274 0.000 2.788 325 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 325 T C 1.525 176.398 174.700 0.289 0.000 1.044 325 T CA 0.899 63.146 62.100 0.245 0.000 1.139 325 T CB -0.558 68.356 68.868 0.077 0.000 0.867 325 T HN 0.305 nan 8.240 nan 0.000 0.454 326 F N 1.996 122.137 119.950 0.319 0.000 2.063 326 F HA -0.178 4.349 4.527 0.000 0.000 0.298 326 F C 2.681 178.556 175.800 0.124 0.000 1.109 326 F CA 1.244 59.386 58.000 0.237 0.000 1.212 326 F CB -0.849 38.181 39.000 0.050 0.000 0.973 326 F HN 0.145 nan 8.300 nan 0.000 0.480 327 A N -1.691 121.267 122.820 0.231 0.000 2.225 327 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 327 A C 1.544 179.081 177.584 -0.079 0.000 1.164 327 A CA 1.347 53.401 52.037 0.030 0.000 0.710 327 A CB -0.980 17.974 19.000 -0.076 0.000 0.780 327 A HN 0.522 nan 8.150 nan 0.000 0.473 328 H N -1.142 117.988 119.070 0.099 0.000 2.529 328 H HA 0.352 4.908 4.556 -0.000 0.000 0.277 328 H C -0.198 175.150 175.328 0.034 0.000 1.004 328 H CA 0.191 56.269 56.048 0.050 0.000 1.167 328 H CB 0.079 29.855 29.762 0.023 0.000 1.445 328 H HN 0.354 nan 8.280 nan 0.000 0.554 329 L N 0.110 121.423 121.223 0.150 0.000 2.333 329 L HA 0.248 4.588 4.340 -0.000 0.000 0.269 329 L C 0.621 177.550 176.870 0.098 0.000 1.010 329 L CA -0.647 54.258 54.840 0.109 0.000 0.818 329 L CB 1.919 44.056 42.059 0.130 0.000 1.306 329 L HN -0.147 nan 8.230 nan 0.000 0.430 330 D N 0.974 121.418 120.400 0.073 0.000 2.367 330 D HA 0.322 4.962 4.640 -0.000 0.000 0.207 330 D C 0.121 176.481 176.300 0.100 0.000 1.034 330 D CA 0.475 54.519 54.000 0.073 0.000 0.861 330 D CB 1.188 42.018 40.800 0.051 0.000 0.943 330 D HN 0.530 nan 8.370 nan 0.000 0.515 331 A N 0.146 123.041 122.820 0.124 0.000 2.582 331 A HA 0.535 4.855 4.320 -0.000 0.000 0.297 331 A C -0.400 177.309 177.584 0.209 0.000 1.059 331 A CA -0.711 51.432 52.037 0.176 0.000 0.705 331 A CB 1.023 20.166 19.000 0.238 0.000 1.279 331 A HN -0.019 nan 8.150 nan 0.000 0.404 332 T N -1.256 113.439 114.554 0.236 0.000 2.930 332 T HA 0.869 5.219 4.350 -0.000 0.000 0.290 332 T C -0.430 174.419 174.700 0.247 0.000 1.052 332 T CA -0.612 61.650 62.100 0.271 0.000 1.017 332 T CB 1.952 71.010 68.868 0.317 0.000 1.137 332 T HN 0.876 nan 8.240 nan 0.000 0.511 333 T N 1.518 116.205 114.554 0.222 0.000 3.160 333 T HA 0.373 4.723 4.350 -0.000 0.000 0.346 333 T C -0.499 174.224 174.700 0.037 0.000 1.027 333 T CA -0.540 61.622 62.100 0.104 0.000 1.287 333 T CB 0.517 69.434 68.868 0.082 0.000 0.997 333 T HN 0.659 nan 8.240 nan 0.000 0.518 334 V N 4.375 124.320 119.914 0.052 0.000 2.488 334 V HA 0.384 4.504 4.120 -0.000 0.000 0.277 334 V C 0.195 176.272 176.094 -0.028 0.000 1.046 334 V CA -0.552 61.773 62.300 0.043 0.000 0.986 334 V CB 0.926 32.758 31.823 0.014 0.000 0.989 334 V HN 0.688 nan 8.190 nan 0.000 0.475 335 L N 4.647 125.845 121.223 -0.042 0.000 2.265 335 L HA 0.489 4.829 4.340 -0.000 0.000 0.289 335 L C 0.297 177.137 176.870 -0.051 0.000 1.033 335 L CA 0.250 55.048 54.840 -0.070 0.000 0.814 335 L CB 1.618 43.617 42.059 -0.100 0.000 1.203 335 L HN 0.693 nan 8.230 nan 0.000 0.423 336 S N 2.557 118.225 115.700 -0.053 0.000 2.501 336 S HA 0.358 4.828 4.470 -0.000 0.000 0.301 336 S C 0.758 175.324 174.600 -0.056 0.000 1.096 336 S CA -0.687 57.484 58.200 -0.049 0.000 1.063 336 S CB 1.655 64.830 63.200 -0.040 0.000 1.042 336 S HN 0.729 nan 8.310 nan 0.000 0.494 337 R N 2.712 123.185 120.500 -0.045 0.000 2.275 337 R HA 0.096 4.436 4.340 -0.000 0.000 0.199 337 R C 1.722 178.006 176.300 -0.027 0.000 0.989 337 R CA 0.948 57.026 56.100 -0.037 0.000 1.016 337 R CB -0.660 29.629 30.300 -0.018 0.000 0.918 337 R HN 0.793 nan 8.270 nan 0.000 0.473 338 G N 0.131 108.916 108.800 -0.025 0.000 2.679 338 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.212 338 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.212 338 G C 1.143 176.037 174.900 -0.010 0.000 1.137 338 G CA 0.304 45.395 45.100 -0.014 0.000 0.787 338 G HN 0.292 nan 8.290 nan 0.000 0.534 339 I N 0.463 121.016 120.570 -0.028 0.000 4.032 339 I HA -0.006 4.164 4.170 -0.000 0.000 0.313 339 I C 2.763 178.840 176.117 -0.067 0.000 1.272 339 I CA 0.819 62.102 61.300 -0.029 0.000 1.307 339 I CB 0.172 38.150 38.000 -0.037 0.000 1.155 339 I HN 0.188 nan 8.210 nan 0.000 0.431 340 S N 1.069 116.698 115.700 -0.118 0.000 2.399 340 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 340 S C 1.628 176.204 174.600 -0.040 0.000 1.022 340 S CA 1.136 59.214 58.200 -0.202 0.000 0.983 340 S CB -0.454 62.634 63.200 -0.186 0.000 0.803 340 S HN 0.475 nan 8.310 nan 0.000 0.480 341 E N 1.241 121.446 120.200 0.009 0.000 2.204 341 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 341 E C 1.661 178.309 176.600 0.081 0.000 0.989 341 E CA 0.908 57.341 56.400 0.055 0.000 0.824 341 E CB -0.343 29.383 29.700 0.043 0.000 0.756 341 E HN 0.575 nan 8.360 nan 0.000 0.477 342 L N -0.267 121.000 121.223 0.075 0.000 2.610 342 L HA 0.086 4.426 4.340 -0.000 0.000 0.232 342 L C 1.616 178.597 176.870 0.185 0.000 1.149 342 L CA 0.501 55.410 54.840 0.115 0.000 0.872 342 L CB -0.278 41.846 42.059 0.108 0.000 0.992 342 L HN 0.310 nan 8.230 nan 0.000 0.447 343 G N 0.508 109.427 108.800 0.197 0.000 2.225 343 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.254 343 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.254 343 G C 0.188 175.323 174.900 0.391 0.000 0.988 343 G CA -0.201 45.114 45.100 0.358 0.000 0.625 343 G HN 0.209 nan 8.290 nan 0.000 0.527 344 I N 1.614 122.292 120.570 0.179 0.000 2.671 344 I HA 0.350 4.520 4.170 -0.000 0.000 0.285 344 I C -0.007 176.067 176.117 -0.072 0.000 1.148 344 I CA -0.025 61.304 61.300 0.049 0.000 1.386 344 I CB -0.258 37.756 38.000 0.022 0.000 1.406 344 I HN 0.146 nan 8.210 nan 0.000 0.540 345 Y N 8.281 128.561 120.300 -0.032 0.000 2.341 345 Y HA 0.479 5.029 4.550 -0.000 0.000 0.338 345 Y C -2.090 173.827 175.900 0.028 0.000 0.965 345 Y CA -2.493 55.629 58.100 0.037 0.000 1.108 345 Y CB 1.534 40.014 38.460 0.035 0.000 1.180 345 Y HN 0.432 nan 8.280 nan 0.000 0.458 346 P HA 0.169 nan 4.420 nan 0.000 0.276 346 P C -0.436 176.909 177.300 0.074 0.000 1.244 346 P CA -0.455 62.859 63.100 0.358 0.000 0.801 346 P CB 1.336 33.403 31.700 0.612 0.000 1.006 347 A N 2.422 125.198 122.820 -0.074 0.000 2.604 347 A HA 0.171 4.491 4.320 -0.000 0.000 0.248 347 A C 0.535 178.088 177.584 -0.051 0.000 1.466 347 A CA -0.167 51.795 52.037 -0.126 0.000 1.222 347 A CB -1.414 17.467 19.000 -0.197 0.000 0.945 347 A HN 0.359 nan 8.150 nan 0.000 0.600 348 V N 1.507 121.422 119.914 0.003 0.000 2.479 348 V HA 0.010 4.130 4.120 -0.000 0.000 0.281 348 V C 0.453 176.543 176.094 -0.007 0.000 1.031 348 V CA -0.392 61.907 62.300 -0.002 0.000 1.038 348 V CB 0.849 32.702 31.823 0.050 0.000 0.981 348 V HN 0.552 nan 8.190 nan 0.000 0.478 349 D N 7.950 128.339 120.400 -0.018 0.000 2.342 349 D HA 0.137 4.777 4.640 -0.000 0.000 0.260 349 D C -1.557 174.734 176.300 -0.015 0.000 1.278 349 D CA -1.722 52.268 54.000 -0.017 0.000 0.910 349 D CB 1.895 42.679 40.800 -0.026 0.000 1.079 349 D HN 0.269 nan 8.370 nan 0.000 0.496 350 P HA -0.034 nan 4.420 nan 0.000 0.222 350 P C 0.746 178.027 177.300 -0.032 0.000 1.147 350 P CA 0.798 63.884 63.100 -0.023 0.000 0.790 350 P CB 0.234 31.925 31.700 -0.015 0.000 0.780 351 L N -1.280 119.927 121.223 -0.026 0.000 2.984 351 L HA 0.283 4.623 4.340 -0.000 0.000 0.246 351 L C 0.870 177.712 176.870 -0.047 0.000 1.268 351 L CA 0.302 55.121 54.840 -0.035 0.000 1.054 351 L CB -0.025 42.018 42.059 -0.026 0.000 1.393 351 L HN -0.128 nan 8.230 nan 0.000 0.532 352 D N -1.682 118.691 120.400 -0.044 0.000 2.292 352 D HA 0.025 4.665 4.640 -0.000 0.000 0.322 352 D C 0.332 176.615 176.300 -0.029 0.000 1.087 352 D CA 0.192 54.158 54.000 -0.057 0.000 0.857 352 D CB 0.744 41.506 40.800 -0.063 0.000 1.445 352 D HN -0.081 nan 8.370 nan 0.000 0.528 353 S N 1.717 117.412 115.700 -0.009 0.000 2.455 353 S HA 0.291 4.761 4.470 -0.000 0.000 0.278 353 S C 0.012 174.624 174.600 0.019 0.000 1.216 353 S CA -0.150 58.065 58.200 0.024 0.000 1.055 353 S CB 1.008 64.219 63.200 0.017 0.000 0.939 353 S HN 0.020 nan 8.310 nan 0.000 0.494 354 K N 1.884 122.315 120.400 0.052 0.000 2.259 354 K HA 0.646 4.966 4.320 -0.000 0.000 0.249 354 K C -0.504 176.142 176.600 0.077 0.000 0.942 354 K CA -0.531 55.782 56.287 0.043 0.000 0.816 354 K CB 2.078 34.596 32.500 0.031 0.000 1.155 354 K HN 0.499 nan 8.250 nan 0.000 0.428 355 S N 0.399 116.134 115.700 0.058 0.000 2.569 355 S HA 0.344 4.814 4.470 -0.000 0.000 0.280 355 S C 0.677 175.315 174.600 0.062 0.000 1.111 355 S CA -0.797 57.447 58.200 0.074 0.000 0.887 355 S CB 1.969 65.204 63.200 0.059 0.000 1.095 355 S HN 0.690 nan 8.310 nan 0.000 0.476 356 R N 1.078 121.618 120.500 0.066 0.000 2.290 356 R HA 0.312 4.652 4.340 -0.000 0.000 0.197 356 R C 0.524 176.852 176.300 0.048 0.000 0.913 356 R CA 0.468 56.601 56.100 0.055 0.000 1.040 356 R CB -0.262 30.069 30.300 0.053 0.000 0.992 356 R HN 0.537 nan 8.270 nan 0.000 0.500 357 L N 1.058 122.307 121.223 0.044 0.000 2.567 357 L HA 0.174 4.514 4.340 -0.000 0.000 0.225 357 L C 0.631 177.509 176.870 0.014 0.000 1.119 357 L CA -0.255 54.599 54.840 0.023 0.000 0.871 357 L CB 0.165 42.233 42.059 0.014 0.000 1.036 357 L HN 0.150 nan 8.230 nan 0.000 0.459 358 L N 1.580 122.826 121.223 0.037 0.000 2.436 358 L HA 0.159 4.499 4.340 -0.000 0.000 0.244 358 L C -0.520 176.469 176.870 0.199 0.000 1.396 358 L CA 0.583 55.461 54.840 0.063 0.000 1.217 358 L CB -0.910 41.168 42.059 0.031 0.000 1.420 358 L HN 0.009 nan 8.230 nan 0.000 0.434 359 D N 0.875 121.381 120.400 0.176 0.000 2.879 359 D HA 0.471 5.111 4.640 -0.000 0.000 0.236 359 D C 0.899 177.244 176.300 0.075 0.000 1.171 359 D CA 0.097 54.195 54.000 0.165 0.000 0.868 359 D CB 2.156 42.986 40.800 0.052 0.000 1.598 359 D HN 0.195 nan 8.370 nan 0.000 0.497 360 A N 2.990 125.730 122.820 -0.133 0.000 2.032 360 A HA -0.018 4.302 4.320 -0.000 0.000 0.221 360 A C 1.840 179.384 177.584 -0.067 0.000 1.165 360 A CA 1.981 53.934 52.037 -0.139 0.000 0.645 360 A CB -0.607 18.172 19.000 -0.369 0.000 0.807 360 A HN 0.622 nan 8.150 nan 0.000 0.453 361 A N -1.378 121.399 122.820 -0.071 0.000 2.238 361 A HA 0.388 4.708 4.320 -0.000 0.000 0.208 361 A C 1.502 179.073 177.584 -0.022 0.000 1.177 361 A CA 1.258 53.269 52.037 -0.043 0.000 0.804 361 A CB -0.102 18.871 19.000 -0.044 0.000 0.823 361 A HN 0.437 nan 8.150 nan 0.000 0.482 362 V N -1.667 118.237 119.914 -0.017 0.000 3.141 362 V HA -0.029 4.091 4.120 -0.000 0.000 0.225 362 V C 2.010 178.081 176.094 -0.038 0.000 1.352 362 V CA 0.989 63.278 62.300 -0.020 0.000 1.316 362 V CB 0.344 32.158 31.823 -0.016 0.000 1.126 362 V HN 0.366 nan 8.190 nan 0.000 0.493 363 V N -0.975 118.903 119.914 -0.060 0.000 3.354 363 V HA 0.727 4.847 4.120 -0.000 0.000 0.258 363 V C 0.886 176.968 176.094 -0.020 0.000 1.159 363 V CA 0.532 62.738 62.300 -0.155 0.000 1.125 363 V CB -0.458 31.096 31.823 -0.449 0.000 0.774 363 V HN 1.066 nan 8.190 nan 0.000 0.464 364 G N 0.526 109.349 108.800 0.039 0.000 2.911 364 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 364 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 364 G C -0.222 174.755 174.900 0.128 0.000 1.136 364 G CA 0.144 45.291 45.100 0.079 0.000 0.764 364 G HN 0.386 nan 8.290 nan 0.000 0.626 365 Q N 0.415 120.262 119.800 0.079 0.000 2.197 365 Q HA -0.104 4.236 4.340 -0.000 0.000 0.207 365 Q C 2.193 178.282 176.000 0.149 0.000 0.984 365 Q CA 2.888 58.742 55.803 0.084 0.000 0.869 365 Q CB -0.048 28.707 28.738 0.030 0.000 0.906 365 Q HN 0.775 nan 8.270 nan 0.000 0.426 366 E N -1.010 119.270 120.200 0.133 0.000 2.028 366 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 366 E C 1.836 178.530 176.600 0.156 0.000 0.988 366 E CA 1.391 57.866 56.400 0.125 0.000 0.799 366 E CB -0.381 29.379 29.700 0.099 0.000 0.755 366 E HN 0.512 nan 8.360 nan 0.000 0.447 367 H N -0.680 118.441 119.070 0.086 0.000 2.319 367 H HA -0.211 4.345 4.556 -0.000 0.000 0.297 367 H C 1.986 177.360 175.328 0.076 0.000 1.097 367 H CA 2.088 58.177 56.048 0.069 0.000 1.285 367 H CB -0.609 29.190 29.762 0.062 0.000 1.368 367 H HN 0.321 nan 8.280 nan 0.000 0.495 368 Y N 1.833 122.272 120.300 0.231 0.000 2.036 368 Y HA -0.251 4.299 4.550 -0.000 0.000 0.273 368 Y C 2.466 178.408 175.900 0.071 0.000 1.135 368 Y CA 2.267 60.452 58.100 0.142 0.000 1.106 368 Y CB -0.565 37.942 38.460 0.077 0.000 0.976 368 Y HN 0.192 nan 8.280 nan 0.000 0.483 369 D N -0.389 120.209 120.400 0.329 0.000 2.133 369 D HA -0.226 4.414 4.640 -0.000 0.000 0.192 369 D C 2.409 178.734 176.300 0.043 0.000 1.001 369 D CA 1.958 56.070 54.000 0.186 0.000 0.844 369 D CB -0.721 40.176 40.800 0.162 0.000 0.944 369 D HN 0.322 nan 8.370 nan 0.000 0.447 370 V N 1.349 121.278 119.914 0.025 0.000 2.233 370 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 370 V C 2.559 178.597 176.094 -0.093 0.000 1.050 370 V CA 2.054 64.340 62.300 -0.022 0.000 1.010 370 V CB -0.944 30.857 31.823 -0.036 0.000 0.637 370 V HN 0.231 nan 8.190 nan 0.000 0.444 371 A N -0.380 122.344 122.820 -0.161 0.000 1.940 371 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 371 A C 2.463 179.928 177.584 -0.198 0.000 1.176 371 A CA 2.336 54.246 52.037 -0.211 0.000 0.631 371 A CB -0.734 18.155 19.000 -0.185 0.000 0.814 371 A HN 0.534 nan 8.150 nan 0.000 0.446 372 S N -0.160 115.401 115.700 -0.232 0.000 2.356 372 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 372 S C 1.942 176.482 174.600 -0.100 0.000 1.032 372 S CA 1.693 59.763 58.200 -0.216 0.000 1.005 372 S CB -0.255 62.806 63.200 -0.232 0.000 0.867 372 S HN 0.651 nan 8.310 nan 0.000 0.449 373 K N 0.736 121.100 120.400 -0.059 0.000 2.057 373 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 373 K C 2.087 178.673 176.600 -0.024 0.000 1.049 373 K CA 1.145 57.419 56.287 -0.021 0.000 0.931 373 K CB -0.494 32.009 32.500 0.004 0.000 0.714 373 K HN 0.148 nan 8.250 nan 0.000 0.440 374 V N 1.952 121.838 119.914 -0.046 0.000 2.219 374 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 374 V C 2.330 178.400 176.094 -0.040 0.000 1.053 374 V CA 1.926 64.201 62.300 -0.042 0.000 1.009 374 V CB -0.603 31.139 31.823 -0.135 0.000 0.636 374 V HN 0.389 nan 8.190 nan 0.000 0.445 375 Q N -0.550 119.209 119.800 -0.067 0.000 2.096 375 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 375 Q C 2.306 178.293 176.000 -0.021 0.000 0.982 375 Q CA 1.997 57.770 55.803 -0.049 0.000 0.850 375 Q CB -0.266 28.430 28.738 -0.071 0.000 0.901 375 Q HN 0.709 nan 8.270 nan 0.000 0.422 376 E N -0.125 120.061 120.200 -0.023 0.000 2.085 376 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 376 E C 2.015 178.623 176.600 0.013 0.000 0.994 376 E CA 1.633 58.030 56.400 -0.005 0.000 0.801 376 E CB -0.090 29.606 29.700 -0.005 0.000 0.743 376 E HN 0.345 nan 8.360 nan 0.000 0.453 377 T N 1.365 115.927 114.554 0.013 0.000 2.867 377 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 377 T C 1.924 176.655 174.700 0.052 0.000 1.057 377 T CA 0.695 62.809 62.100 0.024 0.000 1.136 377 T CB -0.051 68.824 68.868 0.011 0.000 0.874 377 T HN 0.077 nan 8.240 nan 0.000 0.466 378 L N 0.422 121.676 121.223 0.052 0.000 2.131 378 L HA -0.005 4.335 4.340 -0.000 0.000 0.206 378 L C 2.825 179.768 176.870 0.122 0.000 1.087 378 L CA 0.817 55.718 54.840 0.102 0.000 0.767 378 L CB -0.321 41.779 42.059 0.068 0.000 0.917 378 L HN 0.168 nan 8.230 nan 0.000 0.441 379 Q N -0.080 119.756 119.800 0.060 0.000 2.084 379 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 379 Q C 2.044 178.068 176.000 0.041 0.000 0.978 379 Q CA 2.313 58.137 55.803 0.035 0.000 0.844 379 Q CB -0.357 28.387 28.738 0.009 0.000 0.898 379 Q HN 0.292 nan 8.270 nan 0.000 0.426 380 T N -0.039 114.549 114.554 0.057 0.000 2.833 380 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 380 T C 1.206 175.962 174.700 0.094 0.000 1.054 380 T CA 1.381 63.516 62.100 0.059 0.000 1.135 380 T CB -0.507 68.396 68.868 0.058 0.000 0.869 380 T HN 0.432 nan 8.240 nan 0.000 0.466 381 Y N 1.821 122.119 120.300 -0.003 0.000 2.200 381 Y HA 0.053 4.603 4.550 -0.000 0.000 0.290 381 Y C 2.311 178.211 175.900 -0.000 0.000 1.137 381 Y CA 1.173 59.273 58.100 0.000 0.000 1.163 381 Y CB -0.191 38.271 38.460 0.003 0.000 0.988 381 Y HN -0.008 nan 8.280 nan 0.000 0.518 382 K N -0.589 119.738 120.400 -0.122 0.000 2.365 382 K HA -0.053 4.267 4.320 -0.000 0.000 0.199 382 K C 1.820 178.331 176.600 -0.148 0.000 1.045 382 K CA 1.055 57.220 56.287 -0.204 0.000 0.962 382 K CB -0.042 32.413 32.500 -0.075 0.000 0.759 382 K HN 0.237 nan 8.250 nan 0.000 0.469 383 S N 0.544 116.191 115.700 -0.088 0.000 2.522 383 S HA 0.076 4.546 4.470 -0.000 0.000 0.227 383 S C 1.050 175.608 174.600 -0.070 0.000 0.986 383 S CA 0.440 58.603 58.200 -0.061 0.000 0.929 383 S CB 0.175 63.358 63.200 -0.028 0.000 0.769 383 S HN 0.266 nan 8.310 nan 0.000 0.529 384 L N 0.636 121.798 121.223 -0.102 0.000 3.014 384 L HA 0.317 4.657 4.340 -0.000 0.000 0.263 384 L C 1.744 178.530 176.870 -0.139 0.000 1.207 384 L CA -0.076 54.712 54.840 -0.086 0.000 1.017 384 L CB 0.034 42.070 42.059 -0.039 0.000 1.360 384 L HN 0.092 nan 8.230 nan 0.000 0.560 385 Q N 1.208 120.889 119.800 -0.198 0.000 2.061 385 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 385 Q C 0.836 176.765 176.000 -0.119 0.000 0.984 385 Q CA 1.732 57.403 55.803 -0.220 0.000 0.846 385 Q CB 0.187 28.798 28.738 -0.212 0.000 0.902 385 Q HN 0.371 nan 8.270 nan 0.000 0.421 386 D N -1.336 119.013 120.400 -0.084 0.000 2.427 386 D HA 0.175 4.815 4.640 -0.000 0.000 0.224 386 D C 0.690 176.966 176.300 -0.039 0.000 1.157 386 D CA 0.144 54.112 54.000 -0.052 0.000 0.828 386 D CB 0.437 41.210 40.800 -0.044 0.000 0.974 386 D HN 0.365 nan 8.370 nan 0.000 0.498 387 I N -0.675 119.870 120.570 -0.042 0.000 3.812 387 I HA 0.090 4.260 4.170 -0.000 0.000 0.292 387 I C 2.018 178.125 176.117 -0.015 0.000 1.206 387 I CA -0.003 61.282 61.300 -0.025 0.000 1.370 387 I CB 0.625 38.611 38.000 -0.024 0.000 1.328 387 I HN -0.134 nan 8.210 nan 0.000 0.453 388 I N 1.545 122.104 120.570 -0.018 0.000 2.439 388 I HA -0.153 4.017 4.170 -0.000 0.000 0.251 388 I C 2.731 178.850 176.117 0.004 0.000 1.139 388 I CA 1.113 62.413 61.300 0.002 0.000 1.438 388 I CB -0.266 37.745 38.000 0.017 0.000 1.085 388 I HN 0.151 nan 8.210 nan 0.000 0.427 389 A N 0.914 123.729 122.820 -0.008 0.000 2.019 389 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 389 A C 2.170 179.754 177.584 -0.000 0.000 1.164 389 A CA 1.336 53.372 52.037 -0.003 0.000 0.644 389 A CB -0.359 18.634 19.000 -0.012 0.000 0.805 389 A HN 0.317 nan 8.150 nan 0.000 0.449 390 I N -1.113 119.455 120.570 -0.004 0.000 2.628 390 I HA 0.025 4.195 4.170 -0.000 0.000 0.255 390 I C 2.121 178.239 176.117 0.002 0.000 1.119 390 I CA 0.733 62.032 61.300 -0.001 0.000 1.448 390 I CB -0.943 37.054 38.000 -0.005 0.000 1.133 390 I HN 0.267 nan 8.210 nan 0.000 0.438 391 L N -0.229 120.996 121.223 0.003 0.000 2.562 391 L HA 0.481 4.821 4.340 -0.000 0.000 0.188 391 L C 0.864 177.741 176.870 0.011 0.000 1.342 391 L CA 0.402 55.245 54.840 0.006 0.000 1.104 391 L CB -0.544 41.519 42.059 0.005 0.000 1.257 391 L HN 0.246 nan 8.230 nan 0.000 0.632 392 G N -0.988 107.821 108.800 0.014 0.000 2.442 392 G HA2 0.305 4.264 3.960 -0.000 0.000 0.296 392 G HA3 0.305 4.264 3.960 -0.000 0.000 0.296 392 G C -0.358 174.558 174.900 0.027 0.000 1.564 392 G CA -0.159 44.953 45.100 0.020 0.000 0.828 392 G HN 0.230 nan 8.290 nan 0.000 0.571 393 M N -0.221 119.400 119.600 0.035 0.000 2.476 393 M HA 0.289 4.769 4.480 -0.000 0.000 0.262 393 M C 1.004 177.325 176.300 0.034 0.000 1.079 393 M CA 1.940 57.267 55.300 0.044 0.000 1.104 393 M CB -0.046 32.587 32.600 0.055 0.000 1.409 393 M HN 0.335 nan 8.290 nan 0.000 0.467 394 D N 0.030 120.445 120.400 0.026 0.000 2.349 394 D HA -0.018 4.622 4.640 -0.000 0.000 0.214 394 D C 1.784 178.095 176.300 0.018 0.000 1.063 394 D CA 0.209 54.221 54.000 0.021 0.000 0.847 394 D CB 0.183 40.994 40.800 0.018 0.000 0.933 394 D HN 0.521 nan 8.370 nan 0.000 0.513 395 E N -0.225 119.985 120.200 0.018 0.000 2.158 395 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 395 E C 0.505 177.114 176.600 0.015 0.000 0.982 395 E CA 0.474 56.883 56.400 0.015 0.000 0.823 395 E CB 0.063 29.771 29.700 0.013 0.000 0.766 395 E HN 0.106 nan 8.360 nan 0.000 0.468 396 L N 1.300 122.534 121.223 0.019 0.000 2.475 396 L HA 0.187 4.527 4.340 -0.000 0.000 0.250 396 L C 1.113 177.993 176.870 0.016 0.000 1.224 396 L CA 0.330 55.181 54.840 0.018 0.000 0.821 396 L CB 0.405 42.479 42.059 0.025 0.000 1.141 396 L HN 0.234 nan 8.230 nan 0.000 0.494 397 S N 0.062 115.771 115.700 0.015 0.000 2.625 397 S HA 0.073 4.543 4.470 -0.000 0.000 0.262 397 S C 1.014 175.622 174.600 0.013 0.000 1.223 397 S CA -0.113 58.094 58.200 0.012 0.000 0.993 397 S CB 0.547 63.754 63.200 0.010 0.000 1.051 397 S HN 0.568 nan 8.310 nan 0.000 0.562 398 E N 0.263 120.469 120.200 0.010 0.000 2.047 398 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 398 E C 2.189 178.795 176.600 0.010 0.000 0.987 398 E CA 1.660 58.065 56.400 0.009 0.000 0.799 398 E CB -0.443 29.261 29.700 0.007 0.000 0.752 398 E HN 0.733 nan 8.360 nan 0.000 0.449 399 Q N -0.436 119.371 119.800 0.011 0.000 2.226 399 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 399 Q C 0.909 176.919 176.000 0.016 0.000 0.975 399 Q CA 1.685 57.495 55.803 0.012 0.000 0.866 399 Q CB 0.093 28.838 28.738 0.011 0.000 0.915 399 Q HN 0.345 nan 8.270 nan 0.000 0.440 400 D N -0.432 119.980 120.400 0.020 0.000 2.277 400 D HA -0.021 4.619 4.640 -0.000 0.000 0.209 400 D C 1.438 177.758 176.300 0.034 0.000 0.970 400 D CA 0.548 54.565 54.000 0.029 0.000 0.874 400 D CB 0.212 41.030 40.800 0.029 0.000 0.982 400 D HN 0.204 nan 8.370 nan 0.000 0.504 401 K N 0.566 120.981 120.400 0.026 0.000 2.062 401 K HA -0.065 4.254 4.320 -0.000 0.000 0.205 401 K C 2.069 178.678 176.600 0.016 0.000 1.051 401 K CA 0.400 56.702 56.287 0.025 0.000 0.941 401 K CB -0.029 32.483 32.500 0.020 0.000 0.719 401 K HN -0.020 nan 8.250 nan 0.000 0.440 402 L N 1.269 122.498 121.223 0.010 0.000 2.046 402 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 402 L C 1.946 178.811 176.870 -0.008 0.000 1.077 402 L CA 1.933 56.773 54.840 -0.000 0.000 0.747 402 L CB -0.676 41.383 42.059 0.000 0.000 0.896 402 L HN 0.080 nan 8.230 nan 0.000 0.432 403 T N -1.162 113.393 114.554 0.003 0.000 2.777 403 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 403 T C 1.951 176.643 174.700 -0.014 0.000 1.040 403 T CA 1.553 63.653 62.100 0.000 0.000 1.141 403 T CB -0.316 68.564 68.868 0.021 0.000 0.868 403 T HN 0.201 nan 8.240 nan 0.000 0.444 404 V N 1.539 121.462 119.914 0.016 0.000 2.427 404 V HA -0.156 3.963 4.120 -0.000 0.000 0.248 404 V C 2.530 178.559 176.094 -0.108 0.000 1.051 404 V CA 1.810 64.118 62.300 0.012 0.000 1.048 404 V CB -0.569 31.331 31.823 0.130 0.000 0.666 404 V HN 0.567 nan 8.190 nan 0.000 0.456 405 E N 0.371 120.537 120.200 -0.057 0.000 2.085 405 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 405 E C 2.394 178.922 176.600 -0.120 0.000 0.994 405 E CA 1.420 57.779 56.400 -0.068 0.000 0.801 405 E CB -0.033 29.651 29.700 -0.027 0.000 0.743 405 E HN 0.555 nan 8.360 nan 0.000 0.453 406 R N -0.218 120.209 120.500 -0.122 0.000 2.119 406 R HA 0.048 4.388 4.340 -0.000 0.000 0.222 406 R C 2.370 178.545 176.300 -0.208 0.000 1.088 406 R CA 0.773 56.777 56.100 -0.160 0.000 0.984 406 R CB -0.103 30.133 30.300 -0.107 0.000 0.884 406 R HN 0.144 nan 8.270 nan 0.000 0.447 407 A N 1.359 124.037 122.820 -0.238 0.000 1.930 407 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 407 A C 1.956 179.228 177.584 -0.519 0.000 1.175 407 A CA 1.039 52.870 52.037 -0.342 0.000 0.627 407 A CB -0.236 18.535 19.000 -0.381 0.000 0.815 407 A HN 0.180 nan 8.150 nan 0.000 0.443 408 R N -0.553 119.610 120.500 -0.561 0.000 2.236 408 R HA 0.011 4.351 4.340 -0.000 0.000 0.208 408 R C 1.746 177.934 176.300 -0.187 0.000 1.036 408 R CA 1.115 56.976 56.100 -0.399 0.000 1.001 408 R CB -0.060 30.082 30.300 -0.263 0.000 0.896 408 R HN 0.500 nan 8.270 nan 0.000 0.464 409 K N -0.005 120.252 120.400 -0.237 0.000 2.168 409 K HA 0.091 4.411 4.320 -0.000 0.000 0.201 409 K C 1.890 178.286 176.600 -0.340 0.000 1.049 409 K CA 0.389 56.472 56.287 -0.340 0.000 0.974 409 K CB 0.218 32.364 32.500 -0.590 0.000 0.792 409 K HN -0.022 nan 8.250 nan 0.000 0.463 410 I N 2.057 122.490 120.570 -0.229 0.000 2.142 410 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 410 I C 2.606 178.795 176.117 0.120 0.000 1.078 410 I CA 1.630 62.931 61.300 0.002 0.000 1.343 410 I CB -1.005 37.035 38.000 0.068 0.000 1.046 410 I HN 0.342 nan 8.210 nan 0.000 0.405 411 Q N 0.588 120.409 119.800 0.035 0.000 2.135 411 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 411 Q C 2.338 178.389 176.000 0.084 0.000 0.981 411 Q CA 1.834 57.675 55.803 0.063 0.000 0.856 411 Q CB 0.002 28.770 28.738 0.051 0.000 0.902 411 Q HN 0.209 nan 8.270 nan 0.000 0.425 412 R N -0.597 119.957 120.500 0.090 0.000 2.115 412 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 412 R C 1.653 178.059 176.300 0.178 0.000 1.111 412 R CA 1.107 57.304 56.100 0.161 0.000 0.976 412 R CB -0.360 30.068 30.300 0.214 0.000 0.870 412 R HN 0.288 nan 8.270 nan 0.000 0.445 413 F N -0.264 119.682 119.950 -0.007 0.000 2.811 413 F HA 0.159 4.686 4.527 -0.000 0.000 0.301 413 F C 1.014 176.857 175.800 0.073 0.000 1.151 413 F CA 0.476 58.475 58.000 -0.001 0.000 1.412 413 F CB 0.226 39.093 39.000 -0.222 0.000 1.113 413 F HN -0.029 nan 8.300 nan 0.000 0.579 414 L N -0.564 120.690 121.223 0.052 0.000 2.375 414 L HA 0.044 4.384 4.340 -0.000 0.000 0.215 414 L C 1.408 178.219 176.870 -0.100 0.000 1.108 414 L CA 0.256 55.099 54.840 0.005 0.000 0.830 414 L CB -0.627 41.465 42.059 0.056 0.000 0.959 414 L HN 0.069 nan 8.230 nan 0.000 0.457 415 S N 0.274 115.886 115.700 -0.146 0.000 2.579 415 S HA 0.229 4.699 4.470 -0.000 0.000 0.275 415 S C -0.275 174.132 174.600 -0.321 0.000 1.345 415 S CA -0.415 57.645 58.200 -0.234 0.000 1.031 415 S CB 1.505 64.460 63.200 -0.409 0.000 0.892 415 S HN 0.317 nan 8.310 nan 0.000 0.529 416 Q N 1.191 120.760 119.800 -0.384 0.000 2.364 416 Q HA 0.333 4.673 4.340 -0.000 0.000 0.257 416 Q C -3.163 172.361 176.000 -0.794 0.000 0.956 416 Q CA -1.794 53.699 55.803 -0.516 0.000 0.924 416 Q CB 2.177 30.624 28.738 -0.485 0.000 1.413 416 Q HN 0.530 nan 8.270 nan 0.000 0.418 417 P HA 0.171 nan 4.420 nan 0.000 0.271 417 P C -1.104 175.874 177.300 -0.537 0.000 1.216 417 P CA 0.202 63.040 63.100 -0.438 0.000 0.771 417 P CB 0.243 31.818 31.700 -0.208 0.000 0.864 418 F N 0.781 120.707 119.950 -0.039 0.000 2.523 418 F HA 0.497 5.024 4.527 -0.000 0.000 0.329 418 F C 1.763 177.554 175.800 -0.014 0.000 1.061 418 F CA -0.821 57.151 58.000 -0.045 0.000 0.967 418 F CB 0.479 39.435 39.000 -0.073 0.000 1.218 418 F HN 0.316 nan 8.300 nan 0.000 0.480 419 A N 1.006 123.939 122.820 0.189 0.000 1.883 419 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 419 A C 1.951 179.605 177.584 0.117 0.000 1.186 419 A CA 2.221 54.322 52.037 0.106 0.000 0.624 419 A CB -1.068 17.974 19.000 0.069 0.000 0.822 419 A HN 0.578 nan 8.150 nan 0.000 0.444 420 V N -0.438 119.557 119.914 0.135 0.000 2.626 420 V HA -0.101 4.019 4.120 -0.000 0.000 0.252 420 V C 2.508 178.766 176.094 0.274 0.000 1.067 420 V CA 1.428 63.819 62.300 0.152 0.000 1.081 420 V CB -1.042 30.848 31.823 0.112 0.000 0.686 420 V HN 0.578 nan 8.190 nan 0.000 0.468 421 A N -0.169 122.825 122.820 0.291 0.000 2.291 421 A HA 0.042 4.362 4.320 -0.000 0.000 0.220 421 A C 1.906 179.653 177.584 0.272 0.000 1.262 421 A CA 0.725 52.990 52.037 0.380 0.000 0.867 421 A CB -0.412 18.716 19.000 0.214 0.000 0.888 421 A HN 0.546 nan 8.150 nan 0.000 0.487 422 E N 0.200 120.508 120.200 0.180 0.000 2.023 422 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 422 E C 1.831 178.470 176.600 0.065 0.000 1.003 422 E CA 2.384 58.839 56.400 0.092 0.000 0.809 422 E CB -0.279 29.456 29.700 0.058 0.000 0.755 422 E HN 0.575 nan 8.360 nan 0.000 0.449 423 V N -1.441 118.488 119.914 0.025 0.000 3.141 423 V HA -0.027 4.092 4.120 -0.000 0.000 0.265 423 V C 1.860 177.880 176.094 -0.123 0.000 1.126 423 V CA 1.064 63.321 62.300 -0.072 0.000 1.141 423 V CB -0.833 30.903 31.823 -0.145 0.000 0.743 423 V HN 0.143 nan 8.190 nan 0.000 0.492 424 F N 2.694 122.628 119.950 -0.027 0.000 2.098 424 F HA -0.032 4.495 4.527 -0.000 0.000 0.294 424 F C 2.812 178.560 175.800 -0.087 0.000 1.107 424 F CA 2.434 60.395 58.000 -0.066 0.000 1.234 424 F CB -0.635 38.297 39.000 -0.114 0.000 1.002 424 F HN 0.361 nan 8.300 nan 0.000 0.472 425 T N -4.541 110.086 114.554 0.122 0.000 3.042 425 T HA 0.418 4.768 4.350 -0.000 0.000 0.245 425 T C 1.665 176.393 174.700 0.047 0.000 1.029 425 T CA 0.593 62.721 62.100 0.047 0.000 1.120 425 T CB 0.303 69.175 68.868 0.008 0.000 0.917 425 T HN 0.421 nan 8.240 nan 0.000 0.467 426 G N 1.592 110.417 108.800 0.042 0.000 2.144 426 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.218 426 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.218 426 G C -0.123 174.795 174.900 0.029 0.000 0.988 426 G CA -0.091 45.027 45.100 0.030 0.000 0.659 426 G HN 0.671 nan 8.290 nan 0.000 0.522 427 I N 1.140 121.727 120.570 0.027 0.000 2.418 427 I HA 0.348 4.518 4.170 -0.000 0.000 0.287 427 I C -2.177 173.943 176.117 0.005 0.000 1.008 427 I CA -2.527 58.781 61.300 0.014 0.000 1.104 427 I CB 2.020 40.024 38.000 0.007 0.000 1.264 427 I HN -0.189 nan 8.210 nan 0.000 0.438 428 P HA -0.002 nan 4.420 nan 0.000 0.266 428 P C 0.358 177.653 177.300 -0.008 0.000 1.193 428 P CA -0.023 63.079 63.100 0.003 0.000 0.770 428 P CB 0.440 32.140 31.700 0.001 0.000 0.836 429 G N 2.677 111.480 108.800 0.005 0.000 2.491 429 G HA2 0.189 4.149 3.960 -0.000 0.000 0.238 429 G HA3 0.189 4.149 3.960 -0.000 0.000 0.238 429 G C -0.376 174.512 174.900 -0.021 0.000 1.277 429 G CA -0.230 44.871 45.100 0.002 0.000 0.851 429 G HN 0.292 nan 8.290 nan 0.000 0.573 430 K N 0.715 121.083 120.400 -0.052 0.000 2.371 430 K HA 0.474 4.794 4.320 -0.000 0.000 0.251 430 K C -1.162 175.418 176.600 -0.033 0.000 0.934 430 K CA -0.756 55.497 56.287 -0.057 0.000 0.798 430 K CB 2.747 35.185 32.500 -0.104 0.000 1.204 430 K HN 0.388 nan 8.250 nan 0.000 0.427 431 L N 2.346 123.561 121.223 -0.013 0.000 2.372 431 L HA 0.409 4.749 4.340 -0.000 0.000 0.274 431 L C -1.351 175.520 176.870 0.001 0.000 0.988 431 L CA -0.824 54.020 54.840 0.008 0.000 0.833 431 L CB 1.587 43.660 42.059 0.023 0.000 1.236 431 L HN 0.226 nan 8.230 nan 0.000 0.410 432 V N 5.188 125.102 119.914 -0.001 0.000 2.417 432 V HA 0.537 4.657 4.120 -0.000 0.000 0.291 432 V C 0.316 176.423 176.094 0.022 0.000 1.024 432 V CA -0.910 61.391 62.300 0.002 0.000 0.861 432 V CB 1.451 33.262 31.823 -0.020 0.000 0.985 432 V HN 0.724 nan 8.190 nan 0.000 0.436 433 R N 2.219 122.737 120.500 0.030 0.000 2.919 433 R HA 0.122 4.462 4.340 -0.000 0.000 0.284 433 R C 1.065 177.394 176.300 0.049 0.000 1.104 433 R CA -0.306 55.818 56.100 0.040 0.000 1.207 433 R CB 0.260 30.584 30.300 0.041 0.000 1.162 433 R HN 0.612 nan 8.270 nan 0.000 0.561 434 L N 1.228 122.486 121.223 0.058 0.000 2.084 434 L HA -0.018 4.322 4.340 -0.000 0.000 0.202 434 L C 1.733 178.653 176.870 0.083 0.000 1.074 434 L CA 1.824 56.709 54.840 0.076 0.000 0.757 434 L CB -0.515 41.597 42.059 0.088 0.000 0.918 434 L HN 0.372 nan 8.230 nan 0.000 0.444 435 K N 0.132 120.579 120.400 0.079 0.000 2.152 435 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 435 K C 1.981 178.625 176.600 0.072 0.000 1.048 435 K CA 1.434 57.768 56.287 0.077 0.000 0.933 435 K CB -0.550 31.989 32.500 0.066 0.000 0.721 435 K HN 0.427 nan 8.250 nan 0.000 0.447 436 D N -0.735 119.707 120.400 0.069 0.000 2.269 436 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 436 D C 0.946 177.307 176.300 0.102 0.000 0.963 436 D CA 0.967 55.011 54.000 0.073 0.000 0.864 436 D CB 0.420 41.255 40.800 0.058 0.000 0.936 436 D HN 0.179 nan 8.370 nan 0.000 0.505 437 T N 0.146 114.766 114.554 0.109 0.000 2.852 437 T HA -0.082 4.268 4.350 -0.000 0.000 0.256 437 T C 2.207 177.045 174.700 0.230 0.000 1.038 437 T CA 1.505 63.715 62.100 0.184 0.000 1.141 437 T CB -0.249 68.688 68.868 0.114 0.000 0.869 437 T HN 0.126 nan 8.240 nan 0.000 0.439 438 V N 1.543 121.500 119.914 0.072 0.000 2.295 438 V HA -0.064 4.056 4.120 -0.000 0.000 0.246 438 V C 2.760 178.914 176.094 0.099 0.000 1.049 438 V CA 1.588 63.891 62.300 0.006 0.000 1.024 438 V CB -1.705 30.052 31.823 -0.109 0.000 0.648 438 V HN 0.434 nan 8.190 nan 0.000 0.447 439 A N 0.222 123.100 122.820 0.097 0.000 1.972 439 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 439 A C 2.576 180.231 177.584 0.119 0.000 1.169 439 A CA 2.260 54.355 52.037 0.098 0.000 0.635 439 A CB -0.905 18.144 19.000 0.082 0.000 0.810 439 A HN 0.655 nan 8.150 nan 0.000 0.446 440 S N -1.260 114.525 115.700 0.143 0.000 2.345 440 S HA -0.127 4.343 4.470 -0.000 0.000 0.220 440 S C 1.731 176.371 174.600 0.066 0.000 1.031 440 S CA 1.510 59.772 58.200 0.102 0.000 0.996 440 S CB -0.532 62.757 63.200 0.148 0.000 0.882 440 S HN 0.459 nan 8.310 nan 0.000 0.445 441 F N 1.889 121.899 119.950 0.101 0.000 2.234 441 F HA 0.124 4.651 4.527 -0.000 0.000 0.299 441 F C 2.374 178.190 175.800 0.027 0.000 1.087 441 F CA 1.412 59.455 58.000 0.072 0.000 1.340 441 F CB -0.261 38.772 39.000 0.055 0.000 1.031 441 F HN 0.228 nan 8.300 nan 0.000 0.500 442 K N 0.530 121.047 120.400 0.196 0.000 2.147 442 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 442 K C 2.194 178.853 176.600 0.099 0.000 1.049 442 K CA 1.190 57.548 56.287 0.119 0.000 0.936 442 K CB -0.226 32.330 32.500 0.092 0.000 0.722 442 K HN 0.210 nan 8.250 nan 0.000 0.446 443 A N 0.525 123.413 122.820 0.114 0.000 1.898 443 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 443 A C 2.193 179.873 177.584 0.159 0.000 1.181 443 A CA 1.543 53.675 52.037 0.158 0.000 0.620 443 A CB -0.547 18.632 19.000 0.298 0.000 0.819 443 A HN 0.165 nan 8.150 nan 0.000 0.442 444 V N 0.148 120.108 119.914 0.077 0.000 2.427 444 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 444 V C 2.522 178.613 176.094 -0.004 0.000 1.051 444 V CA 1.747 64.043 62.300 -0.007 0.000 1.048 444 V CB -0.760 30.893 31.823 -0.284 0.000 0.666 444 V HN 0.542 nan 8.190 nan 0.000 0.456 445 L N -0.243 120.999 121.223 0.030 0.000 2.056 445 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 445 L C 2.358 179.240 176.870 0.019 0.000 1.078 445 L CA 1.583 56.441 54.840 0.031 0.000 0.749 445 L CB -0.570 41.523 42.059 0.058 0.000 0.901 445 L HN 0.348 nan 8.230 nan 0.000 0.433 446 E N 0.221 120.436 120.200 0.026 0.000 2.516 446 E HA -0.006 4.344 4.350 -0.000 0.000 0.199 446 E C 0.894 177.492 176.600 -0.003 0.000 1.069 446 E CA 0.421 56.828 56.400 0.012 0.000 0.876 446 E CB -0.087 29.620 29.700 0.013 0.000 0.843 446 E HN 0.538 nan 8.360 nan 0.000 0.530 447 G N 1.900 110.699 108.800 -0.002 0.000 2.324 447 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.292 447 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.292 447 G C 0.479 175.356 174.900 -0.038 0.000 1.079 447 G CA 0.504 45.596 45.100 -0.013 0.000 1.026 447 G HN 0.241 nan 8.290 nan 0.000 0.506 448 K N -1.111 119.257 120.400 -0.053 0.000 2.214 448 K HA 0.135 4.455 4.320 -0.000 0.000 0.201 448 K C 0.796 177.209 176.600 -0.311 0.000 1.049 448 K CA 0.794 56.952 56.287 -0.215 0.000 0.978 448 K CB 0.383 32.687 32.500 -0.326 0.000 0.842 448 K HN 0.472 nan 8.250 nan 0.000 0.474 449 Y N 1.528 121.820 120.300 -0.014 0.000 2.867 449 Y HA 0.098 4.648 4.550 -0.000 0.000 0.351 449 Y C 0.279 176.217 175.900 0.063 0.000 1.046 449 Y CA -0.388 57.727 58.100 0.025 0.000 1.520 449 Y CB 0.123 38.622 38.460 0.064 0.000 1.337 449 Y HN 0.012 nan 8.280 nan 0.000 0.525 450 D N -0.138 120.319 120.400 0.095 0.000 2.347 450 D HA -0.123 4.517 4.640 -0.000 0.000 0.215 450 D C 1.579 177.921 176.300 0.071 0.000 0.976 450 D CA 0.668 54.709 54.000 0.069 0.000 0.884 450 D CB -0.054 40.757 40.800 0.017 0.000 0.915 450 D HN 0.486 nan 8.370 nan 0.000 0.526 451 N N 0.749 119.485 118.700 0.061 0.000 2.467 451 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 451 N C 0.469 176.014 175.510 0.058 0.000 1.106 451 N CA 0.112 53.187 53.050 0.041 0.000 0.892 451 N CB 0.191 38.684 38.487 0.010 0.000 0.969 451 N HN 0.185 nan 8.380 nan 0.000 0.454 452 I N 1.548 122.181 120.570 0.104 0.000 2.365 452 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 452 I C -2.138 174.050 176.117 0.117 0.000 1.004 452 I CA -2.192 59.144 61.300 0.060 0.000 1.311 452 I CB 1.123 39.094 38.000 -0.049 0.000 1.401 452 I HN -0.228 nan 8.210 nan 0.000 0.491 453 P HA 0.091 nan 4.420 nan 0.000 0.271 453 P C 0.336 177.743 177.300 0.179 0.000 1.233 453 P CA -0.246 62.913 63.100 0.100 0.000 0.789 453 P CB 0.688 32.423 31.700 0.060 0.000 0.951 454 E N -0.131 120.191 120.200 0.202 0.000 2.058 454 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 454 E C 1.659 178.432 176.600 0.287 0.000 0.997 454 E CA 1.336 57.900 56.400 0.275 0.000 0.801 454 E CB -0.461 29.346 29.700 0.179 0.000 0.746 454 E HN 0.582 nan 8.360 nan 0.000 0.450 455 H N -0.088 119.048 119.070 0.109 0.000 2.541 455 H HA -0.013 4.543 4.556 -0.000 0.000 0.289 455 H C 1.546 176.918 175.328 0.073 0.000 1.054 455 H CA 1.035 57.131 56.048 0.080 0.000 1.250 455 H CB 0.124 29.888 29.762 0.002 0.000 1.369 455 H HN 0.162 nan 8.280 nan 0.000 0.578 456 A N -0.868 121.965 122.820 0.022 0.000 2.208 456 A HA 0.051 4.371 4.320 -0.000 0.000 0.209 456 A C 1.106 178.485 177.584 -0.342 0.000 1.161 456 A CA 0.327 52.246 52.037 -0.196 0.000 0.782 456 A CB -0.367 18.426 19.000 -0.345 0.000 0.816 456 A HN 0.418 nan 8.150 nan 0.000 0.477 457 F N -2.709 117.270 119.950 0.048 0.000 2.721 457 F HA 0.255 4.782 4.527 -0.000 0.000 0.301 457 F C 0.520 176.418 175.800 0.163 0.000 1.096 457 F CA -0.553 57.533 58.000 0.144 0.000 1.308 457 F CB -0.082 38.977 39.000 0.098 0.000 1.086 457 F HN 0.251 nan 8.300 nan 0.000 0.587 458 Y N 1.258 121.589 120.300 0.052 0.000 2.359 458 Y HA 0.350 4.900 4.550 -0.000 0.000 0.334 458 Y C 0.502 176.343 175.900 -0.098 0.000 1.058 458 Y CA -1.294 56.771 58.100 -0.057 0.000 1.244 458 Y CB 0.307 38.626 38.460 -0.235 0.000 1.187 458 Y HN 0.092 nan 8.280 nan 0.000 0.510 459 M N 4.683 124.066 119.600 -0.362 0.000 3.241 459 M HA -0.159 4.321 4.480 -0.000 0.000 0.169 459 M C -1.516 174.711 176.300 -0.121 0.000 1.333 459 M CA 1.151 56.298 55.300 -0.255 0.000 0.838 459 M CB -1.471 31.041 32.600 -0.147 0.000 1.258 459 M HN 0.376 nan 8.290 nan 0.000 0.656 460 V N -1.602 118.235 119.914 -0.127 0.000 3.181 460 V HA 1.055 5.175 4.120 -0.000 0.000 0.308 460 V C 0.833 176.858 176.094 -0.115 0.000 1.214 460 V CA -0.520 61.735 62.300 -0.075 0.000 1.053 460 V CB 1.332 33.157 31.823 0.002 0.000 1.069 460 V HN 0.562 nan 8.190 nan 0.000 0.441 461 G N 0.334 109.092 108.800 -0.071 0.000 2.961 461 G HA2 0.481 4.441 3.960 -0.000 0.000 0.150 461 G HA3 0.481 4.441 3.960 -0.000 0.000 0.150 461 G C 0.570 175.434 174.900 -0.060 0.000 1.864 461 G CA 0.166 45.222 45.100 -0.073 0.000 0.992 461 G HN 1.437 nan 8.290 nan 0.000 0.458 462 G N -1.269 107.533 108.800 0.002 0.000 2.525 462 G HA2 0.349 4.309 3.960 -0.000 0.000 0.287 462 G HA3 0.349 4.309 3.960 -0.000 0.000 0.287 462 G C 0.882 175.876 174.900 0.157 0.000 1.350 462 G CA 0.002 45.143 45.100 0.069 0.000 1.039 462 G HN 0.418 nan 8.290 nan 0.000 0.513 463 I N -0.221 120.434 120.570 0.142 0.000 2.454 463 I HA -0.101 4.069 4.170 -0.000 0.000 0.254 463 I C 2.451 178.493 176.117 -0.124 0.000 1.156 463 I CA 1.425 62.676 61.300 -0.082 0.000 1.433 463 I CB -0.388 37.465 38.000 -0.244 0.000 1.082 463 I HN 0.679 nan 8.210 nan 0.000 0.432 464 E N 0.048 120.227 120.200 -0.035 0.000 2.110 464 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 464 E C 1.515 178.092 176.600 -0.037 0.000 0.988 464 E CA 1.588 57.972 56.400 -0.026 0.000 0.804 464 E CB -0.249 29.451 29.700 0.001 0.000 0.745 464 E HN 0.550 nan 8.360 nan 0.000 0.458 465 D N 0.066 120.451 120.400 -0.026 0.000 2.269 465 D HA -0.081 4.559 4.640 -0.000 0.000 0.208 465 D C 1.866 178.126 176.300 -0.066 0.000 0.963 465 D CA 0.401 54.382 54.000 -0.030 0.000 0.864 465 D CB 0.099 40.890 40.800 -0.014 0.000 0.936 465 D HN -0.009 nan 8.370 nan 0.000 0.505 466 V N 0.289 120.133 119.914 -0.117 0.000 2.358 466 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 466 V C 2.482 178.445 176.094 -0.217 0.000 1.047 466 V CA 0.998 63.147 62.300 -0.251 0.000 1.035 466 V CB -0.510 31.014 31.823 -0.498 0.000 0.658 466 V HN 0.106 nan 8.190 nan 0.000 0.452 467 V N 0.672 120.495 119.914 -0.152 0.000 2.287 467 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 467 V C 2.716 178.776 176.094 -0.057 0.000 1.053 467 V CA 2.254 64.510 62.300 -0.074 0.000 1.027 467 V CB -1.257 30.557 31.823 -0.015 0.000 0.646 467 V HN 0.566 nan 8.190 nan 0.000 0.447 468 A N -0.275 122.516 122.820 -0.049 0.000 1.969 468 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 468 A C 2.204 179.766 177.584 -0.036 0.000 1.169 468 A CA 1.878 53.895 52.037 -0.033 0.000 0.635 468 A CB -0.431 18.555 19.000 -0.023 0.000 0.810 468 A HN 0.472 nan 8.150 nan 0.000 0.445 469 K N 0.174 120.540 120.400 -0.056 0.000 2.211 469 K HA 0.083 4.403 4.320 -0.000 0.000 0.203 469 K C 1.743 178.316 176.600 -0.045 0.000 1.050 469 K CA 1.302 57.561 56.287 -0.046 0.000 0.945 469 K CB -0.340 32.117 32.500 -0.071 0.000 0.732 469 K HN 0.339 nan 8.250 nan 0.000 0.451 470 A N 0.123 122.901 122.820 -0.071 0.000 2.021 470 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 470 A C 2.020 179.585 177.584 -0.031 0.000 1.163 470 A CA 1.130 53.133 52.037 -0.058 0.000 0.676 470 A CB -0.374 18.581 19.000 -0.075 0.000 0.818 470 A HN 0.499 nan 8.150 nan 0.000 0.453 471 E N 0.385 120.569 120.200 -0.026 0.000 2.072 471 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 471 E C 1.607 178.200 176.600 -0.012 0.000 0.985 471 E CA 1.265 57.655 56.400 -0.016 0.000 0.801 471 E CB -0.060 29.632 29.700 -0.014 0.000 0.750 471 E HN 0.592 nan 8.360 nan 0.000 0.452 472 K N -0.391 120.003 120.400 -0.009 0.000 2.365 472 K HA 0.024 4.344 4.320 -0.000 0.000 0.197 472 K C 2.106 178.704 176.600 -0.002 0.000 1.042 472 K CA 0.638 56.923 56.287 -0.003 0.000 0.987 472 K CB 0.132 32.634 32.500 0.004 0.000 0.779 472 K HN 0.128 nan 8.250 nan 0.000 0.484 473 L N 0.656 121.877 121.223 -0.003 0.000 2.395 473 L HA 0.314 4.654 4.340 -0.000 0.000 0.218 473 L C 1.505 178.366 176.870 -0.016 0.000 1.130 473 L CA 1.336 56.173 54.840 -0.004 0.000 0.826 473 L CB -1.194 40.868 42.059 0.005 0.000 0.941 473 L HN 0.180 nan 8.230 nan 0.000 0.451 474 A N -0.148 122.664 122.820 -0.014 0.000 2.666 474 A HA 0.766 5.086 4.320 -0.000 0.000 0.312 474 A C 0.435 178.011 177.584 -0.014 0.000 1.471 474 A CA 0.416 52.444 52.037 -0.014 0.000 1.134 474 A CB -0.747 18.245 19.000 -0.012 0.000 1.129 474 A HN 1.825 nan 8.150 nan 0.000 0.539 475 A N 0.000 122.810 122.820 -0.017 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 475 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486