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 3oee_1_O 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 VAKAEKLA 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 0.000 174.709 174.700 0.015 0.000 1.109 7 T CA 0.000 62.106 62.100 0.011 0.000 1.349 7 T CB 0.000 68.874 68.868 0.010 0.000 0.612 8 P HA 0.561 nan 4.420 nan 0.000 0.272 8 P C -0.588 176.740 177.300 0.046 0.000 1.230 8 P CA -0.628 62.489 63.100 0.029 0.000 0.788 8 P CB 0.436 32.155 31.700 0.032 0.000 0.949 9 I N 1.415 122.019 120.570 0.056 0.000 2.452 9 I HA 0.222 4.392 4.170 0.000 0.000 0.287 9 I C 0.886 177.134 176.117 0.219 0.000 1.079 9 I CA 0.449 61.808 61.300 0.098 0.000 1.387 9 I CB 0.226 38.236 38.000 0.017 0.000 1.404 9 I HN 0.393 nan 8.210 nan 0.000 0.522 10 T N 2.249 116.957 114.554 0.257 0.000 2.886 10 T HA 0.881 5.231 4.350 0.000 0.000 0.292 10 T C -0.207 174.463 174.700 -0.050 0.000 1.012 10 T CA -0.897 61.299 62.100 0.160 0.000 0.982 10 T CB 1.730 70.623 68.868 0.041 0.000 1.018 10 T HN 0.781 nan 8.240 nan 0.000 0.451 11 G N 1.174 109.661 108.800 -0.521 0.000 2.658 11 G HA2 0.689 4.649 3.960 0.000 0.000 0.292 11 G HA3 0.689 4.649 3.960 0.000 0.000 0.292 11 G C -1.447 173.169 174.900 -0.475 0.000 1.320 11 G CA -1.154 43.370 45.100 -0.960 0.000 0.933 11 G HN 0.746 nan 8.290 nan 0.000 0.476 12 K N -0.254 119.942 120.400 -0.340 0.000 2.123 12 K HA 0.540 4.860 4.320 0.000 0.000 0.259 12 K C -0.221 176.289 176.600 -0.151 0.000 0.960 12 K CA -0.594 55.590 56.287 -0.173 0.000 0.872 12 K CB 2.407 34.857 32.500 -0.083 0.000 1.079 12 K HN 0.207 nan 8.250 nan 0.000 0.440 13 V N 2.608 122.463 119.914 -0.098 0.000 2.572 13 V HA -0.022 4.098 4.120 0.000 0.000 0.291 13 V C 1.261 177.330 176.094 -0.041 0.000 1.039 13 V CA 0.632 62.895 62.300 -0.061 0.000 1.055 13 V CB 0.967 32.765 31.823 -0.042 0.000 0.969 13 V HN 1.103 nan 8.190 nan 0.000 0.482 14 T N 1.007 115.546 114.554 -0.025 0.000 2.955 14 T HA 0.589 4.939 4.350 0.000 0.000 0.251 14 T C 0.280 174.970 174.700 -0.017 0.000 1.002 14 T CA 0.474 62.561 62.100 -0.022 0.000 0.970 14 T CB 0.575 69.434 68.868 -0.015 0.000 1.091 14 T HN 1.070 nan 8.240 nan 0.000 0.495 15 A N 0.429 123.244 122.820 -0.009 0.000 2.566 15 A HA 0.687 5.007 4.320 0.000 0.000 0.297 15 A C -1.684 175.899 177.584 -0.002 0.000 1.059 15 A CA -0.679 51.355 52.037 -0.005 0.000 0.691 15 A CB 1.845 20.844 19.000 -0.001 0.000 1.282 15 A HN 0.403 nan 8.150 nan 0.000 0.401 16 V N 2.304 122.216 119.914 -0.003 0.000 2.567 16 V HA 0.630 4.750 4.120 0.000 0.000 0.298 16 V C -1.147 174.946 176.094 -0.002 0.000 1.047 16 V CA -0.195 62.104 62.300 -0.002 0.000 0.880 16 V CB 1.382 33.202 31.823 -0.004 0.000 1.009 16 V HN 0.977 nan 8.190 nan 0.000 0.429 17 I N 4.479 125.048 120.570 -0.000 0.000 2.512 17 I HA 0.838 5.008 4.170 0.000 0.000 0.287 17 I C 0.650 176.765 176.117 -0.002 0.000 1.069 17 I CA 1.279 62.578 61.300 -0.002 0.000 1.056 17 I CB 1.424 39.422 38.000 -0.002 0.000 1.229 17 I HN 0.911 nan 8.210 nan 0.000 0.429 18 G N 5.723 114.521 108.800 -0.003 0.000 2.660 18 G HA2 -0.319 3.641 3.960 0.000 0.000 0.321 18 G HA3 -0.319 3.641 3.960 0.000 0.000 0.321 18 G C 0.826 175.725 174.900 -0.002 0.000 1.246 18 G CA 0.707 45.804 45.100 -0.004 0.000 1.000 18 G HN 1.712 nan 8.290 nan 0.000 0.550 19 A N -0.620 122.198 122.820 -0.003 0.000 2.275 19 A HA 0.582 4.903 4.320 0.000 0.000 0.212 19 A C 0.794 178.381 177.584 0.005 0.000 1.201 19 A CA 0.554 52.592 52.037 0.000 0.000 0.843 19 A CB 0.019 19.017 19.000 -0.003 0.000 0.873 19 A HN 0.529 nan 8.150 nan 0.000 0.492 20 I N 1.116 121.689 120.570 0.005 0.000 2.336 20 I HA 0.357 4.527 4.170 0.000 0.000 0.292 20 I C -0.658 175.466 176.117 0.012 0.000 0.991 20 I CA -0.749 60.557 61.300 0.010 0.000 1.227 20 I CB 1.272 39.277 38.000 0.008 0.000 1.366 20 I HN -0.128 nan 8.210 nan 0.000 0.466 21 V N 5.678 125.604 119.914 0.019 0.000 2.483 21 V HA 0.377 4.497 4.120 0.000 0.000 0.297 21 V C -0.594 175.518 176.094 0.029 0.000 1.027 21 V CA -0.861 61.450 62.300 0.019 0.000 0.855 21 V CB 2.242 34.075 31.823 0.017 0.000 0.995 21 V HN 0.549 nan 8.190 nan 0.000 0.424 22 D N 3.199 123.613 120.400 0.024 0.000 2.198 22 D HA 0.598 5.238 4.640 0.000 0.000 0.245 22 D C -0.546 175.770 176.300 0.027 0.000 1.079 22 D CA -0.030 53.992 54.000 0.037 0.000 0.854 22 D CB 2.290 43.110 40.800 0.033 0.000 1.148 22 D HN 0.268 nan 8.370 nan 0.000 0.456 23 V N 2.264 122.206 119.914 0.046 0.000 2.588 23 V HA 0.199 4.319 4.120 0.000 0.000 0.304 23 V C -0.506 175.587 176.094 -0.002 0.000 1.042 23 V CA -0.842 61.445 62.300 -0.022 0.000 0.877 23 V CB 1.856 33.657 31.823 -0.035 0.000 0.996 23 V HN 0.531 nan 8.190 nan 0.000 0.425 24 H N 3.795 122.750 119.070 -0.192 0.000 2.467 24 H HA 0.670 5.226 4.556 0.000 0.000 0.331 24 H C -1.557 173.578 175.328 -0.321 0.000 1.120 24 H CA -0.585 55.384 56.048 -0.131 0.000 1.270 24 H CB 1.114 30.826 29.762 -0.085 0.000 1.466 24 H HN 0.459 nan 8.280 nan 0.000 0.504 25 F N 3.199 122.735 119.950 -0.690 0.000 2.449 25 F HA 0.197 4.724 4.527 0.000 0.000 0.342 25 F C 1.225 176.683 175.800 -0.570 0.000 1.127 25 F CA -0.647 57.078 58.000 -0.459 0.000 0.975 25 F CB 1.925 40.756 39.000 -0.282 0.000 1.146 25 F HN 0.621 nan 8.300 nan 0.000 0.444 26 E N 1.461 121.575 120.200 -0.144 0.000 2.268 26 E HA -0.130 4.220 4.350 0.000 0.000 0.195 26 E C 0.400 176.994 176.600 -0.009 0.000 0.995 26 E CA 0.664 57.035 56.400 -0.048 0.000 0.836 26 E CB 0.131 29.836 29.700 0.009 0.000 0.763 26 E HN 0.738 nan 8.360 nan 0.000 0.491 27 Q N -1.278 118.526 119.800 0.006 0.000 2.297 27 Q HA 0.405 4.745 4.340 0.000 0.000 0.269 27 Q C 0.958 176.948 176.000 -0.017 0.000 1.051 27 Q CA -0.241 55.566 55.803 0.006 0.000 0.869 27 Q CB 1.464 30.213 28.738 0.018 0.000 1.346 27 Q HN -0.186 nan 8.270 nan 0.000 0.457 28 S N 0.801 116.491 115.700 -0.016 0.000 2.369 28 S HA -0.215 4.255 4.470 0.000 0.000 0.225 28 S C 0.232 174.802 174.600 -0.051 0.000 1.043 28 S CA 1.727 59.913 58.200 -0.024 0.000 1.074 28 S CB -0.323 62.868 63.200 -0.014 0.000 0.962 28 S HN 0.671 nan 8.310 nan 0.000 0.433 29 E N 0.846 121.011 120.200 -0.058 0.000 2.351 29 E HA 0.329 4.679 4.350 0.000 0.000 0.266 29 E C -1.135 175.351 176.600 -0.189 0.000 1.031 29 E CA -0.030 56.314 56.400 -0.093 0.000 0.911 29 E CB 0.633 30.290 29.700 -0.073 0.000 0.986 29 E HN 0.212 nan 8.360 nan 0.000 0.446 30 L N 5.774 126.855 121.223 -0.236 0.000 2.330 30 L HA 0.489 4.829 4.340 0.000 0.000 0.271 30 L C -2.190 174.459 176.870 -0.369 0.000 1.013 30 L CA -2.257 52.317 54.840 -0.443 0.000 0.816 30 L CB 1.156 42.944 42.059 -0.452 0.000 1.287 30 L HN 0.443 nan 8.230 nan 0.000 0.435 31 P HA 0.338 nan 4.420 nan 0.000 0.276 31 P C -0.890 176.406 177.300 -0.008 0.000 1.230 31 P CA -0.526 62.421 63.100 -0.255 0.000 0.776 31 P CB 0.703 32.222 31.700 -0.303 0.000 0.888 32 A N 3.922 126.746 122.820 0.007 0.000 2.547 32 A HA 0.078 4.398 4.320 0.000 0.000 0.233 32 A C 0.535 178.134 177.584 0.025 0.000 1.067 32 A CA -0.189 51.862 52.037 0.025 0.000 0.763 32 A CB -0.556 18.428 19.000 -0.026 0.000 1.007 32 A HN 0.575 nan 8.150 nan 0.000 0.506 33 I N 0.989 121.522 120.570 -0.062 0.000 2.815 33 I HA -0.044 4.126 4.170 0.000 0.000 0.291 33 I C 0.810 176.875 176.117 -0.086 0.000 1.209 33 I CA 0.846 62.098 61.300 -0.079 0.000 1.431 33 I CB 0.180 38.083 38.000 -0.162 0.000 1.351 33 I HN 0.739 nan 8.210 nan 0.000 0.585 34 L N 2.286 123.459 121.223 -0.083 0.000 4.586 34 L HA -0.249 4.091 4.340 0.000 0.000 0.401 34 L C -0.007 176.861 176.870 -0.004 0.000 0.854 34 L CA 0.060 54.827 54.840 -0.123 0.000 1.918 34 L CB -1.670 40.214 42.059 -0.292 0.000 1.631 34 L HN 0.685 nan 8.230 nan 0.000 0.579 35 N N 1.236 119.941 118.700 0.007 0.000 2.520 35 N HA 0.489 5.229 4.740 0.000 0.000 0.273 35 N C 0.350 175.888 175.510 0.046 0.000 1.155 35 N CA 0.799 53.865 53.050 0.026 0.000 0.967 35 N CB 1.044 39.535 38.487 0.006 0.000 1.092 35 N HN 0.291 nan 8.380 nan 0.000 0.457 36 A N 3.080 125.931 122.820 0.051 0.000 2.396 36 A HA 0.353 4.673 4.320 0.000 0.000 0.279 36 A C 0.014 177.630 177.584 0.053 0.000 1.165 36 A CA -0.293 51.776 52.037 0.053 0.000 0.824 36 A CB -0.309 18.719 19.000 0.046 0.000 1.100 36 A HN 0.648 nan 8.150 nan 0.000 0.516 37 L N 1.764 123.026 121.223 0.066 0.000 2.416 37 L HA 0.651 4.991 4.340 0.000 0.000 0.263 37 L C 0.408 177.314 176.870 0.060 0.000 1.065 37 L CA -0.571 54.318 54.840 0.082 0.000 0.798 37 L CB 1.081 43.214 42.059 0.124 0.000 1.267 37 L HN 0.703 nan 8.230 nan 0.000 0.467 38 E N 0.719 120.954 120.200 0.058 0.000 2.331 38 E HA 0.582 4.932 4.350 0.000 0.000 0.275 38 E C -1.501 175.116 176.600 0.027 0.000 0.895 38 E CA -0.535 55.887 56.400 0.037 0.000 0.753 38 E CB 3.123 32.842 29.700 0.030 0.000 1.216 38 E HN 0.361 nan 8.360 nan 0.000 0.434 39 I N 2.276 122.856 120.570 0.017 0.000 2.466 39 I HA 0.277 4.447 4.170 0.000 0.000 0.289 39 I C -0.366 175.753 176.117 0.004 0.000 1.026 39 I CA -0.796 60.507 61.300 0.006 0.000 1.078 39 I CB 1.774 39.775 38.000 0.002 0.000 1.249 39 I HN 0.200 nan 8.210 nan 0.000 0.429 40 K N 5.066 125.466 120.400 0.001 0.000 2.338 40 K HA 0.224 4.544 4.320 0.000 0.000 0.290 40 K C 0.064 176.663 176.600 -0.002 0.000 1.069 40 K CA -0.113 56.174 56.287 0.000 0.000 0.941 40 K CB 0.670 33.170 32.500 -0.000 0.000 1.023 40 K HN 0.660 nan 8.250 nan 0.000 0.477 41 T N 0.239 114.793 114.554 -0.001 0.000 2.943 41 T HA 0.287 4.637 4.350 0.000 0.000 0.284 41 T C -1.394 173.305 174.700 -0.002 0.000 1.015 41 T CA -1.902 60.197 62.100 -0.002 0.000 1.042 41 T CB 1.414 70.282 68.868 -0.001 0.000 1.055 41 T HN 0.263 nan 8.240 nan 0.000 0.500 42 P HA -0.152 nan 4.420 nan 0.000 0.216 42 P C 1.432 178.731 177.300 -0.002 0.000 1.150 42 P CA 1.151 64.249 63.100 -0.002 0.000 0.843 42 P CB 0.146 31.845 31.700 -0.003 0.000 0.787 43 Q N -0.754 119.045 119.800 -0.002 0.000 2.123 43 Q HA 0.068 4.408 4.340 0.000 0.000 0.199 43 Q C 1.667 177.666 176.000 -0.001 0.000 0.966 43 Q CA 1.772 57.574 55.803 -0.001 0.000 0.845 43 Q CB -0.232 28.505 28.738 -0.001 0.000 0.907 43 Q HN 0.383 nan 8.270 nan 0.000 0.439 44 G N 0.099 108.899 108.800 -0.000 0.000 2.667 44 G HA2 0.121 4.082 3.960 0.000 0.000 0.081 44 G HA3 0.121 4.082 3.960 0.000 0.000 0.081 44 G C -1.338 173.563 174.900 0.002 0.000 1.105 44 G CA -0.159 44.941 45.100 0.000 0.000 1.326 44 G HN 0.148 nan 8.290 nan 0.000 0.603 45 K N -0.313 120.089 120.400 0.003 0.000 2.375 45 K HA 0.809 5.129 4.320 0.000 0.000 0.249 45 K C -1.661 174.943 176.600 0.007 0.000 0.942 45 K CA -0.875 55.415 56.287 0.005 0.000 0.806 45 K CB 2.857 35.361 32.500 0.007 0.000 1.227 45 K HN 0.640 nan 8.250 nan 0.000 0.430 46 L N 2.942 124.170 121.223 0.008 0.000 2.280 46 L HA 0.362 4.702 4.340 0.000 0.000 0.287 46 L C -1.299 175.581 176.870 0.017 0.000 1.023 46 L CA -0.515 54.332 54.840 0.011 0.000 0.819 46 L CB 1.741 43.806 42.059 0.009 0.000 1.212 46 L HN 0.575 nan 8.230 nan 0.000 0.420 47 V N 6.538 126.463 119.914 0.019 0.000 2.498 47 V HA 0.395 4.515 4.120 0.000 0.000 0.279 47 V C 0.234 176.347 176.094 0.031 0.000 1.048 47 V CA -0.354 61.962 62.300 0.025 0.000 0.967 47 V CB 1.140 32.977 31.823 0.023 0.000 0.988 47 V HN 0.637 nan 8.190 nan 0.000 0.473 48 L N 4.099 125.347 121.223 0.040 0.000 2.354 48 L HA 0.651 4.991 4.340 0.000 0.000 0.269 48 L C -0.156 176.749 176.870 0.058 0.000 1.005 48 L CA -0.480 54.389 54.840 0.047 0.000 0.819 48 L CB 2.196 44.286 42.059 0.052 0.000 1.311 48 L HN 0.625 nan 8.230 nan 0.000 0.423 49 E N 1.709 121.945 120.200 0.060 0.000 2.158 49 E HA 0.355 4.705 4.350 0.000 0.000 0.271 49 E C -1.290 175.347 176.600 0.061 0.000 0.911 49 E CA -0.762 55.679 56.400 0.068 0.000 0.767 49 E CB 2.232 31.985 29.700 0.088 0.000 1.120 49 E HN 0.329 nan 8.360 nan 0.000 0.405 50 V N 4.349 124.299 119.914 0.060 0.000 2.485 50 V HA 0.052 4.172 4.120 0.000 0.000 0.287 50 V C 0.998 177.117 176.094 0.041 0.000 1.022 50 V CA 0.873 63.214 62.300 0.067 0.000 1.067 50 V CB 0.674 32.543 31.823 0.077 0.000 0.967 50 V HN 0.870 nan 8.190 nan 0.000 0.479 51 A N 4.646 127.495 122.820 0.049 0.000 1.973 51 A HA 0.264 4.584 4.320 0.000 0.000 0.210 51 A C 0.763 178.360 177.584 0.021 0.000 1.200 51 A CA 0.434 52.484 52.037 0.022 0.000 0.707 51 A CB 0.274 19.288 19.000 0.024 0.000 0.862 51 A HN 0.782 nan 8.150 nan 0.000 0.461 52 Q N -1.329 118.515 119.800 0.074 0.000 2.482 52 Q HA 0.347 4.687 4.340 0.000 0.000 0.286 52 Q C -1.716 174.431 176.000 0.245 0.000 1.007 52 Q CA -0.578 55.276 55.803 0.086 0.000 0.801 52 Q CB 1.607 30.383 28.738 0.062 0.000 1.455 52 Q HN 0.616 nan 8.270 nan 0.000 0.398 53 H N 1.762 120.834 119.070 0.002 0.000 2.641 53 H HA 0.232 4.789 4.556 0.000 0.000 0.295 53 H C 0.599 175.939 175.328 0.020 0.000 1.070 53 H CA -0.289 55.766 56.048 0.011 0.000 1.257 53 H CB 1.028 30.788 29.762 -0.004 0.000 1.393 53 H HN 0.428 nan 8.280 nan 0.000 0.464 54 L N 2.820 124.118 121.223 0.126 0.000 2.291 54 L HA 0.071 4.411 4.340 0.000 0.000 0.214 54 L C 1.230 178.144 176.870 0.072 0.000 1.120 54 L CA 0.791 55.681 54.840 0.083 0.000 0.799 54 L CB -0.022 42.078 42.059 0.067 0.000 0.925 54 L HN 0.911 nan 8.230 nan 0.000 0.446 55 G N -0.304 108.541 108.800 0.075 0.000 2.612 55 G HA2 -0.168 3.792 3.960 0.000 0.000 0.686 55 G HA3 -0.168 3.792 3.960 0.000 0.000 0.686 55 G C -0.046 174.894 174.900 0.067 0.000 1.274 55 G CA -0.464 44.673 45.100 0.062 0.000 0.849 55 G HN 0.243 nan 8.290 nan 0.000 0.595 56 E N -0.131 120.109 120.200 0.067 0.000 2.360 56 E HA -0.258 4.092 4.350 0.000 0.000 0.238 56 E C 0.977 177.683 176.600 0.177 0.000 1.186 56 E CA 0.915 57.376 56.400 0.100 0.000 0.719 56 E CB -1.015 28.731 29.700 0.077 0.000 1.236 56 E HN 1.224 nan 8.360 nan 0.000 0.386 57 N N -2.304 116.450 118.700 0.089 0.000 2.732 57 N HA -0.176 4.565 4.740 0.000 0.000 0.250 57 N C -0.598 174.955 175.510 0.071 0.000 1.097 57 N CA 1.980 55.040 53.050 0.017 0.000 0.812 57 N CB -1.405 37.042 38.487 -0.065 0.000 1.148 57 N HN 0.347 nan 8.380 nan 0.000 0.572 58 T N 0.345 114.996 114.554 0.161 0.000 2.845 58 T HA 0.567 4.917 4.350 0.000 0.000 0.288 58 T C 0.761 175.505 174.700 0.074 0.000 0.980 58 T CA -0.556 61.643 62.100 0.164 0.000 1.071 58 T CB 1.851 70.814 68.868 0.157 0.000 0.941 58 T HN 0.173 nan 8.240 nan 0.000 0.487 59 V N 1.664 121.641 119.914 0.104 0.000 2.850 59 V HA 0.750 4.870 4.120 0.000 0.000 0.315 59 V C -0.144 176.015 176.094 0.108 0.000 1.064 59 V CA -1.439 60.912 62.300 0.085 0.000 0.979 59 V CB 1.612 33.480 31.823 0.076 0.000 1.039 59 V HN 0.848 nan 8.190 nan 0.000 0.452 60 R N 1.680 122.242 120.500 0.103 0.000 2.460 60 R HA 0.748 5.088 4.340 0.000 0.000 0.303 60 R C -0.365 175.980 176.300 0.076 0.000 0.968 60 R CA 0.230 56.377 56.100 0.078 0.000 0.889 60 R CB 1.727 32.063 30.300 0.060 0.000 1.123 60 R HN 1.151 nan 8.270 nan 0.000 0.455 61 T N 1.557 116.149 114.554 0.062 0.000 2.893 61 T HA 0.491 4.841 4.350 0.000 0.000 0.291 61 T C -0.057 174.667 174.700 0.040 0.000 1.028 61 T CA -0.859 61.276 62.100 0.058 0.000 0.995 61 T CB 1.086 69.994 68.868 0.066 0.000 1.051 61 T HN 0.457 nan 8.240 nan 0.000 0.470 62 I N 2.558 123.150 120.570 0.038 0.000 2.315 62 I HA 0.547 4.717 4.170 0.000 0.000 0.291 62 I C 0.923 177.059 176.117 0.031 0.000 1.006 62 I CA -0.920 60.397 61.300 0.028 0.000 1.265 62 I CB 1.169 39.185 38.000 0.027 0.000 1.387 62 I HN 0.932 nan 8.210 nan 0.000 0.475 63 A N 7.265 130.099 122.820 0.023 0.000 2.407 63 A HA 0.394 4.714 4.320 0.000 0.000 0.248 63 A C 0.886 178.483 177.584 0.020 0.000 1.082 63 A CA -0.287 51.763 52.037 0.022 0.000 0.785 63 A CB 0.436 19.445 19.000 0.015 0.000 1.020 63 A HN 0.777 nan 8.150 nan 0.000 0.489 64 M N 0.607 120.220 119.600 0.022 0.000 2.495 64 M HA 0.174 4.654 4.480 0.000 0.000 0.237 64 M C -0.126 176.183 176.300 0.015 0.000 1.131 64 M CA 0.656 55.968 55.300 0.020 0.000 1.032 64 M CB -0.898 31.715 32.600 0.022 0.000 1.513 64 M HN 0.754 nan 8.290 nan 0.000 0.488 65 D N -1.052 119.356 120.400 0.012 0.000 2.664 65 D HA 0.456 5.096 4.640 0.000 0.000 0.292 65 D C -0.461 175.843 176.300 0.006 0.000 1.214 65 D CA -0.166 53.839 54.000 0.009 0.000 0.932 65 D CB 1.579 42.384 40.800 0.008 0.000 1.420 65 D HN 0.122 nan 8.370 nan 0.000 0.471 66 G N -0.733 108.069 108.800 0.004 0.000 2.464 66 G HA2 0.273 4.233 3.960 0.000 0.000 0.231 66 G HA3 0.273 4.233 3.960 0.000 0.000 0.231 66 G C 0.701 175.603 174.900 0.002 0.000 1.267 66 G CA 0.675 45.776 45.100 0.002 0.000 0.863 66 G HN 0.393 nan 8.290 nan 0.000 0.559 67 T N -1.080 113.474 114.554 0.001 0.000 3.248 67 T HA 0.301 4.652 4.350 0.000 0.000 0.271 67 T C 0.258 174.957 174.700 -0.001 0.000 1.005 67 T CA -0.427 61.674 62.100 0.001 0.000 0.902 67 T CB 0.064 68.933 68.868 0.001 0.000 1.102 67 T HN 0.467 nan 8.240 nan 0.000 0.548 68 E N 1.083 121.283 120.200 -0.001 0.000 2.437 68 E HA 0.457 4.807 4.350 0.000 0.000 0.263 68 E C 1.524 178.122 176.600 -0.003 0.000 1.030 68 E CA 1.121 57.520 56.400 -0.002 0.000 0.934 68 E CB -0.175 29.524 29.700 -0.002 0.000 0.943 68 E HN 0.398 nan 8.360 nan 0.000 0.444 69 G N 1.533 110.330 108.800 -0.004 0.000 2.267 69 G HA2 -0.310 3.650 3.960 0.000 0.000 0.257 69 G HA3 -0.310 3.650 3.960 0.000 0.000 0.257 69 G C 0.162 175.059 174.900 -0.006 0.000 0.998 69 G CA -0.024 45.074 45.100 -0.005 0.000 0.620 69 G HN 0.395 nan 8.290 nan 0.000 0.529 70 L N 1.283 122.502 121.223 -0.006 0.000 2.499 70 L HA 0.405 4.745 4.340 0.000 0.000 0.273 70 L C 0.668 177.532 176.870 -0.010 0.000 1.195 70 L CA -0.067 54.768 54.840 -0.008 0.000 0.882 70 L CB 0.988 43.043 42.059 -0.007 0.000 1.133 70 L HN 0.057 nan 8.230 nan 0.000 0.483 71 V N 3.834 123.740 119.914 -0.013 0.000 2.815 71 V HA 0.415 4.535 4.120 0.000 0.000 0.314 71 V C 0.153 176.235 176.094 -0.019 0.000 1.064 71 V CA -1.053 61.239 62.300 -0.015 0.000 0.952 71 V CB 1.943 33.757 31.823 -0.014 0.000 1.020 71 V HN 0.671 nan 8.190 nan 0.000 0.439 72 R N 1.736 122.224 120.500 -0.020 0.000 2.537 72 R HA 0.450 4.790 4.340 0.000 0.000 0.280 72 R C 1.209 177.492 176.300 -0.028 0.000 1.058 72 R CA 0.895 56.980 56.100 -0.025 0.000 1.057 72 R CB 0.317 30.603 30.300 -0.024 0.000 0.973 72 R HN 1.242 nan 8.270 nan 0.000 0.438 73 G N 1.612 110.391 108.800 -0.036 0.000 2.143 73 G HA2 -0.321 3.639 3.960 0.000 0.000 0.249 73 G HA3 -0.321 3.639 3.960 0.000 0.000 0.249 73 G C 0.039 174.914 174.900 -0.041 0.000 0.981 73 G CA 0.019 45.095 45.100 -0.039 0.000 0.665 73 G HN 0.635 nan 8.290 nan 0.000 0.528 74 E N 0.360 120.536 120.200 -0.039 0.000 2.392 74 E HA 0.354 4.705 4.350 0.000 0.000 0.264 74 E C 0.701 177.269 176.600 -0.053 0.000 1.024 74 E CA -0.349 56.029 56.400 -0.037 0.000 0.903 74 E CB 0.369 30.052 29.700 -0.028 0.000 0.963 74 E HN 0.304 nan 8.360 nan 0.000 0.432 75 K N 2.305 122.678 120.400 -0.046 0.000 2.350 75 K HA 0.186 4.506 4.320 0.000 0.000 0.279 75 K C -1.207 175.362 176.600 -0.052 0.000 1.027 75 K CA -0.372 55.881 56.287 -0.057 0.000 0.969 75 K CB 0.710 33.189 32.500 -0.036 0.000 0.954 75 K HN 0.216 nan 8.250 nan 0.000 0.474 76 V N 5.291 125.158 119.914 -0.079 0.000 2.604 76 V HA 0.393 4.513 4.120 0.000 0.000 0.305 76 V C -0.916 175.187 176.094 0.014 0.000 1.043 76 V CA -1.120 61.154 62.300 -0.042 0.000 0.888 76 V CB 1.460 33.236 31.823 -0.078 0.000 0.995 76 V HN 0.633 nan 8.190 nan 0.000 0.429 77 L N 2.997 124.255 121.223 0.059 0.000 2.341 77 L HA 0.735 5.075 4.340 0.000 0.000 0.278 77 L C -0.594 176.344 176.870 0.113 0.000 1.005 77 L CA 0.001 54.892 54.840 0.085 0.000 0.818 77 L CB 1.678 43.766 42.059 0.048 0.000 1.259 77 L HN 0.717 nan 8.230 nan 0.000 0.418 78 D N 1.992 122.469 120.400 0.129 0.000 2.295 78 D HA 0.174 4.815 4.640 0.000 0.000 0.248 78 D C 1.039 177.366 176.300 0.044 0.000 1.154 78 D CA 0.322 54.373 54.000 0.085 0.000 0.857 78 D CB 1.620 42.445 40.800 0.043 0.000 1.117 78 D HN 0.746 nan 8.370 nan 0.000 0.468 79 T N 0.923 115.498 114.554 0.035 0.000 3.113 79 T HA 0.141 4.491 4.350 0.000 0.000 0.263 79 T C 1.551 176.258 174.700 0.011 0.000 1.143 79 T CA 0.403 62.516 62.100 0.022 0.000 1.090 79 T CB -0.402 68.479 68.868 0.021 0.000 0.922 79 T HN 0.674 nan 8.240 nan 0.000 0.521 80 G N 0.071 108.873 108.800 0.004 0.000 2.168 80 G HA2 0.113 4.073 3.960 0.000 0.000 0.257 80 G HA3 0.113 4.073 3.960 0.000 0.000 0.257 80 G C 0.384 175.281 174.900 -0.005 0.000 0.997 80 G CA -0.064 45.031 45.100 -0.009 0.000 0.708 80 G HN 1.375 nan 8.290 nan 0.000 0.520 81 G N -1.741 107.062 108.800 0.005 0.000 2.550 81 G HA2 0.739 4.699 3.960 0.000 0.000 0.293 81 G HA3 0.739 4.699 3.960 0.000 0.000 0.293 81 G C -3.295 171.621 174.900 0.027 0.000 1.402 81 G CA -0.253 44.854 45.100 0.011 0.000 0.784 81 G HN 0.184 nan 8.290 nan 0.000 0.482 82 P HA 0.382 nan 4.420 nan 0.000 0.277 82 P C 0.132 177.466 177.300 0.057 0.000 1.271 82 P CA -0.604 62.544 63.100 0.080 0.000 0.795 82 P CB 0.683 32.464 31.700 0.134 0.000 1.101 83 I N 0.426 121.034 120.570 0.064 0.000 2.741 83 I HA -0.066 4.104 4.170 0.000 0.000 0.288 83 I C 1.060 177.172 176.117 -0.009 0.000 1.192 83 I CA 0.799 62.111 61.300 0.020 0.000 1.426 83 I CB -0.209 37.795 38.000 0.007 0.000 1.367 83 I HN 0.300 nan 8.210 nan 0.000 0.563 84 S N 5.338 121.028 115.700 -0.016 0.000 2.641 84 S HA 0.636 5.106 4.470 0.000 0.000 0.261 84 S C -0.354 174.214 174.600 -0.052 0.000 1.257 84 S CA -0.628 57.552 58.200 -0.033 0.000 0.983 84 S CB 1.488 64.670 63.200 -0.030 0.000 0.990 84 S HN 0.508 nan 8.310 nan 0.000 0.572 85 V N -0.987 118.885 119.914 -0.070 0.000 2.966 85 V HA 0.388 4.508 4.120 0.000 0.000 0.288 85 V C -3.166 172.859 176.094 -0.115 0.000 1.380 85 V CA -2.316 59.933 62.300 -0.084 0.000 0.966 85 V CB 0.876 32.643 31.823 -0.094 0.000 1.115 85 V HN 0.544 nan 8.190 nan 0.000 0.436 86 P HA 0.302 nan 4.420 nan 0.000 0.265 86 P C -0.409 176.758 177.300 -0.222 0.000 1.187 86 P CA 0.313 63.327 63.100 -0.145 0.000 0.766 86 P CB 0.650 32.290 31.700 -0.101 0.000 0.820 87 V N -0.753 118.958 119.914 -0.339 0.000 3.114 87 V HA 0.986 5.106 4.120 0.000 0.000 0.308 87 V C 0.047 175.769 176.094 -0.620 0.000 1.168 87 V CA -0.234 61.732 62.300 -0.556 0.000 1.015 87 V CB 1.390 32.731 31.823 -0.804 0.000 1.050 87 V HN 0.976 nan 8.190 nan 0.000 0.433 88 G N 2.040 110.456 108.800 -0.639 0.000 2.566 88 G HA2 -0.101 3.859 3.960 0.000 0.000 0.599 88 G HA3 -0.101 3.859 3.960 0.000 0.000 0.599 88 G C 0.128 175.100 174.900 0.119 0.000 1.292 88 G CA 0.024 45.016 45.100 -0.181 0.000 0.922 88 G HN 1.039 nan 8.290 nan 0.000 0.514 89 R N 0.268 120.943 120.500 0.293 0.000 2.159 89 R HA -0.066 4.274 4.340 0.000 0.000 0.237 89 R C 1.385 177.720 176.300 0.057 0.000 1.131 89 R CA 1.517 57.727 56.100 0.184 0.000 0.982 89 R CB -0.171 30.221 30.300 0.153 0.000 0.868 89 R HN 0.564 nan 8.270 nan 0.000 0.453 90 E N 0.790 121.011 120.200 0.035 0.000 2.461 90 E HA -0.054 4.296 4.350 0.000 0.000 0.196 90 E C 1.131 177.727 176.600 -0.007 0.000 1.129 90 E CA 0.910 57.311 56.400 0.003 0.000 0.902 90 E CB 0.134 29.828 29.700 -0.010 0.000 0.963 90 E HN 0.491 nan 8.360 nan 0.000 0.503 91 T N -3.355 111.206 114.554 0.012 0.000 2.985 91 T HA 0.198 4.548 4.350 0.000 0.000 0.254 91 T C 1.001 175.724 174.700 0.039 0.000 1.021 91 T CA -0.344 61.767 62.100 0.018 0.000 0.957 91 T CB 0.078 68.945 68.868 -0.001 0.000 1.047 91 T HN -0.042 nan 8.240 nan 0.000 0.511 92 L N 2.248 123.477 121.223 0.010 0.000 2.499 92 L HA 0.439 4.779 4.340 0.000 0.000 0.273 92 L C 1.715 178.579 176.870 -0.010 0.000 1.195 92 L CA 1.002 55.806 54.840 -0.060 0.000 0.882 92 L CB -0.038 41.878 42.059 -0.237 0.000 1.133 92 L HN 0.564 nan 8.230 nan 0.000 0.483 93 G N 1.823 110.640 108.800 0.028 0.000 2.184 93 G HA2 -0.234 3.726 3.960 0.000 0.000 0.264 93 G HA3 -0.234 3.726 3.960 0.000 0.000 0.264 93 G C 0.413 175.377 174.900 0.107 0.000 0.975 93 G CA -0.244 44.902 45.100 0.076 0.000 0.642 93 G HN 0.471 nan 8.290 nan 0.000 0.536 94 R N -0.036 120.507 120.500 0.071 0.000 2.536 94 R HA 0.701 5.041 4.340 0.000 0.000 0.279 94 R C 0.513 176.840 176.300 0.044 0.000 1.001 94 R CA -0.941 55.190 56.100 0.051 0.000 1.027 94 R CB 0.715 31.031 30.300 0.026 0.000 1.096 94 R HN 0.342 nan 8.270 nan 0.000 0.502 95 I N 3.346 123.912 120.570 -0.007 0.000 2.354 95 I HA 0.416 4.586 4.170 0.000 0.000 0.292 95 I C 0.101 176.233 176.117 0.026 0.000 0.989 95 I CA -0.527 60.778 61.300 0.009 0.000 1.188 95 I CB 1.065 38.995 38.000 -0.118 0.000 1.342 95 I HN 0.271 nan 8.210 nan 0.000 0.457 96 I N 5.545 126.154 120.570 0.064 0.000 2.646 96 I HA 0.335 4.505 4.170 0.000 0.000 0.299 96 I C -0.184 175.970 176.117 0.061 0.000 1.036 96 I CA -0.585 60.736 61.300 0.036 0.000 1.074 96 I CB 1.990 39.997 38.000 0.012 0.000 1.258 96 I HN 0.657 nan 8.210 nan 0.000 0.430 97 N N 3.755 122.478 118.700 0.039 0.000 2.566 97 N HA 0.208 4.948 4.740 0.000 0.000 0.299 97 N C 0.687 176.209 175.510 0.019 0.000 1.277 97 N CA -0.720 52.358 53.050 0.047 0.000 0.965 97 N CB 0.210 38.720 38.487 0.039 0.000 1.142 97 N HN 0.366 nan 8.380 nan 0.000 0.596 98 V N -0.145 119.780 119.914 0.019 0.000 2.287 98 V HA -0.166 3.954 4.120 0.000 0.000 0.248 98 V C 1.619 177.706 176.094 -0.012 0.000 1.053 98 V CA 2.108 64.409 62.300 0.001 0.000 1.027 98 V CB -0.915 30.913 31.823 0.010 0.000 0.646 98 V HN 0.656 nan 8.190 nan 0.000 0.447 99 I N -1.327 119.240 120.570 -0.004 0.000 3.680 99 I HA 0.458 4.628 4.170 0.000 0.000 0.306 99 I C 1.394 177.501 176.117 -0.017 0.000 1.260 99 I CA 0.648 61.942 61.300 -0.009 0.000 1.201 99 I CB -0.767 37.233 38.000 -0.000 0.000 1.009 99 I HN 0.424 nan 8.210 nan 0.000 0.467 100 G N 0.831 109.619 108.800 -0.019 0.000 2.147 100 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 100 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 100 G C -0.023 174.864 174.900 -0.020 0.000 1.005 100 G CA 0.325 45.409 45.100 -0.027 0.000 0.713 100 G HN 0.889 nan 8.290 nan 0.000 0.515 101 E N 0.945 121.139 120.200 -0.010 0.000 2.266 101 E HA 0.743 5.094 4.350 0.000 0.000 0.277 101 E C -2.100 174.496 176.600 -0.006 0.000 1.018 101 E CA -1.498 54.897 56.400 -0.009 0.000 0.840 101 E CB 1.012 30.709 29.700 -0.005 0.000 1.082 101 E HN 0.314 nan 8.360 nan 0.000 0.395 102 P HA 0.254 nan 4.420 nan 0.000 0.280 102 P C 0.267 177.558 177.300 -0.015 0.000 1.244 102 P CA -0.026 63.068 63.100 -0.010 0.000 0.784 102 P CB 0.586 32.280 31.700 -0.010 0.000 0.913 103 I N -0.282 120.273 120.570 -0.025 0.000 3.833 103 I HA 0.274 4.445 4.170 0.000 0.000 0.328 103 I C -0.012 176.058 176.117 -0.077 0.000 1.554 103 I CA -0.303 60.973 61.300 -0.040 0.000 1.116 103 I CB -0.009 37.972 38.000 -0.032 0.000 1.182 103 I HN 0.029 nan 8.210 nan 0.000 0.459 104 D N 0.173 120.531 120.400 -0.071 0.000 2.440 104 D HA 0.049 4.689 4.640 0.000 0.000 0.216 104 D C 0.599 176.887 176.300 -0.020 0.000 1.150 104 D CA -0.230 53.722 54.000 -0.080 0.000 0.832 104 D CB -0.031 40.712 40.800 -0.094 0.000 0.992 104 D HN 0.458 nan 8.370 nan 0.000 0.502 105 E N -0.350 119.840 120.200 -0.017 0.000 3.146 105 E HA -0.285 4.065 4.350 0.000 0.000 0.277 105 E C 0.423 177.027 176.600 0.006 0.000 1.003 105 E CA 0.496 56.894 56.400 -0.004 0.000 0.861 105 E CB -0.857 28.843 29.700 -0.001 0.000 1.436 105 E HN 0.407 nan 8.360 nan 0.000 0.455 106 R N -0.047 120.459 120.500 0.010 0.000 2.480 106 R HA 0.252 4.593 4.340 0.000 0.000 0.277 106 R C 0.945 177.252 176.300 0.011 0.000 1.008 106 R CA 0.406 56.517 56.100 0.017 0.000 1.090 106 R CB 0.808 31.127 30.300 0.032 0.000 1.234 106 R HN 0.323 nan 8.270 nan 0.000 0.549 107 G N 1.353 110.156 108.800 0.005 0.000 2.418 107 G HA2 -0.197 3.763 3.960 0.000 0.000 0.206 107 G HA3 -0.197 3.763 3.960 0.000 0.000 0.206 107 G C -2.630 172.270 174.900 -0.001 0.000 1.202 107 G CA -1.130 43.972 45.100 0.002 0.000 1.061 107 G HN 0.114 nan 8.290 nan 0.000 0.563 108 P HA 0.637 nan 4.420 nan 0.000 0.278 108 P C -0.273 177.023 177.300 -0.007 0.000 1.258 108 P CA -0.609 62.487 63.100 -0.006 0.000 0.811 108 P CB 0.749 32.445 31.700 -0.006 0.000 1.063 109 I N 1.837 122.399 120.570 -0.014 0.000 2.276 109 I HA 0.135 4.305 4.170 0.000 0.000 0.290 109 I C 0.889 176.993 176.117 -0.023 0.000 1.109 109 I CA -0.202 61.087 61.300 -0.018 0.000 1.229 109 I CB 0.121 38.106 38.000 -0.026 0.000 1.452 109 I HN 0.106 nan 8.210 nan 0.000 0.497 110 K N 4.602 124.993 120.400 -0.016 0.000 3.233 110 K HA 0.070 4.390 4.320 0.000 0.000 0.283 110 K C 0.715 177.303 176.600 -0.021 0.000 1.209 110 K CA -0.157 56.121 56.287 -0.015 0.000 1.197 110 K CB -0.111 32.386 32.500 -0.006 0.000 1.431 110 K HN 0.651 nan 8.250 nan 0.000 0.326 111 S N -0.194 115.484 115.700 -0.038 0.000 2.624 111 S HA 0.139 4.609 4.470 0.000 0.000 0.263 111 S C 1.166 175.735 174.600 -0.052 0.000 1.287 111 S CA -0.541 57.627 58.200 -0.054 0.000 0.990 111 S CB 1.307 64.448 63.200 -0.097 0.000 0.950 111 S HN 0.261 nan 8.310 nan 0.000 0.561 112 K N 0.312 120.679 120.400 -0.056 0.000 2.044 112 K HA 0.185 4.505 4.320 0.000 0.000 0.204 112 K C 0.185 176.749 176.600 -0.061 0.000 1.049 112 K CA 0.760 57.024 56.287 -0.039 0.000 0.945 112 K CB -0.515 31.977 32.500 -0.012 0.000 0.724 112 K HN 0.474 nan 8.250 nan 0.000 0.440 113 L N 0.669 121.822 121.223 -0.116 0.000 2.333 113 L HA 0.395 4.735 4.340 0.000 0.000 0.269 113 L C -0.324 176.447 176.870 -0.165 0.000 1.010 113 L CA -0.832 53.931 54.840 -0.129 0.000 0.818 113 L CB 2.082 44.053 42.059 -0.147 0.000 1.306 113 L HN -0.069 nan 8.230 nan 0.000 0.430 114 R N 1.735 122.165 120.500 -0.116 0.000 2.476 114 R HA 0.491 4.831 4.340 0.000 0.000 0.305 114 R C -1.123 175.125 176.300 -0.086 0.000 0.965 114 R CA -0.814 55.220 56.100 -0.109 0.000 0.867 114 R CB 2.103 32.361 30.300 -0.071 0.000 1.176 114 R HN 0.479 nan 8.270 nan 0.000 0.447 115 K N 3.149 123.490 120.400 -0.098 0.000 2.166 115 K HA 0.490 4.810 4.320 0.000 0.000 0.245 115 K C -2.440 174.133 176.600 -0.046 0.000 0.967 115 K CA -2.042 54.213 56.287 -0.053 0.000 0.863 115 K CB 1.978 34.455 32.500 -0.038 0.000 1.107 115 K HN 0.278 nan 8.250 nan 0.000 0.436 116 P HA 0.146 nan 4.420 nan 0.000 0.281 116 P C 0.520 177.790 177.300 -0.050 0.000 1.249 116 P CA -0.346 62.743 63.100 -0.018 0.000 0.810 116 P CB 0.374 32.087 31.700 0.023 0.000 1.008 117 I N -1.866 118.638 120.570 -0.110 0.000 3.001 117 I HA 0.044 4.214 4.170 0.000 0.000 0.268 117 I C 0.423 176.353 176.117 -0.312 0.000 1.267 117 I CA 0.775 61.943 61.300 -0.221 0.000 1.472 117 I CB -0.813 37.019 38.000 -0.280 0.000 1.089 117 I HN 0.207 nan 8.210 nan 0.000 0.468 118 H N 2.880 121.943 119.070 -0.013 0.000 2.641 118 H HA 0.748 5.304 4.556 0.000 0.000 0.295 118 H C -0.466 174.855 175.328 -0.011 0.000 1.070 118 H CA -0.399 55.643 56.048 -0.010 0.000 1.257 118 H CB 1.239 30.998 29.762 -0.004 0.000 1.393 118 H HN 0.389 nan 8.280 nan 0.000 0.464 119 A N 3.636 126.502 122.820 0.077 0.000 2.435 119 A HA 0.336 4.656 4.320 0.000 0.000 0.304 119 A C -0.523 177.083 177.584 0.037 0.000 1.064 119 A CA -0.963 51.100 52.037 0.043 0.000 0.727 119 A CB 1.388 20.396 19.000 0.014 0.000 1.284 119 A HN 0.481 nan 8.150 nan 0.000 0.415 120 D N 2.936 123.353 120.400 0.029 0.000 2.414 120 D HA 0.378 5.018 4.640 0.000 0.000 0.242 120 D C -2.005 174.304 176.300 0.015 0.000 1.129 120 D CA -0.322 53.692 54.000 0.023 0.000 0.885 120 D CB 0.700 41.512 40.800 0.019 0.000 1.198 120 D HN 0.337 nan 8.370 nan 0.000 0.437 121 P HA 0.242 nan 4.420 nan 0.000 0.278 121 P C -2.526 174.784 177.300 0.016 0.000 1.238 121 P CA -1.238 61.868 63.100 0.009 0.000 0.794 121 P CB -0.096 31.610 31.700 0.011 0.000 0.955 122 P HA -0.028 nan 4.420 nan 0.000 0.267 122 P C 0.376 177.692 177.300 0.027 0.000 1.201 122 P CA 0.271 63.376 63.100 0.009 0.000 0.775 122 P CB 0.142 31.838 31.700 -0.007 0.000 0.854 123 S N 1.260 116.981 115.700 0.034 0.000 2.655 123 S HA 0.162 4.632 4.470 0.000 0.000 0.265 123 S C 1.026 175.684 174.600 0.097 0.000 1.240 123 S CA -0.516 57.728 58.200 0.074 0.000 0.986 123 S CB 0.100 63.343 63.200 0.070 0.000 0.985 123 S HN 0.395 nan 8.310 nan 0.000 0.562 124 F N 1.527 121.477 119.950 -0.000 0.000 2.126 124 F HA -0.031 4.496 4.527 0.000 0.000 0.299 124 F C 2.506 178.305 175.800 -0.002 0.000 1.096 124 F CA 1.811 59.811 58.000 -0.000 0.000 1.255 124 F CB -1.019 37.981 39.000 -0.000 0.000 0.997 124 F HN 0.726 nan 8.300 nan 0.000 0.479 125 A N -0.437 122.445 122.820 0.103 0.000 2.076 125 A HA -0.206 4.114 4.320 0.000 0.000 0.220 125 A C 1.949 179.486 177.584 -0.079 0.000 1.160 125 A CA 1.921 53.961 52.037 0.006 0.000 0.653 125 A CB -0.764 18.273 19.000 0.062 0.000 0.801 125 A HN 0.621 nan 8.150 nan 0.000 0.455 126 E N -0.376 119.780 120.200 -0.073 0.000 2.474 126 E HA 0.021 4.371 4.350 0.000 0.000 0.195 126 E C -0.087 176.451 176.600 -0.104 0.000 1.039 126 E CA -0.304 56.054 56.400 -0.069 0.000 0.881 126 E CB 0.169 29.850 29.700 -0.032 0.000 0.970 126 E HN 0.540 nan 8.360 nan 0.000 0.486 127 Q N 0.690 120.383 119.800 -0.178 0.000 2.364 127 Q HA 0.154 4.494 4.340 0.000 0.000 0.267 127 Q C -0.338 175.566 176.000 -0.160 0.000 0.999 127 Q CA 0.275 55.969 55.803 -0.182 0.000 0.886 127 Q CB 1.651 30.220 28.738 -0.282 0.000 1.243 127 Q HN -0.069 nan 8.270 nan 0.000 0.415 128 S N 1.391 117.026 115.700 -0.107 0.000 2.707 128 S HA 0.489 4.959 4.470 0.000 0.000 0.303 128 S C -0.815 173.745 174.600 -0.065 0.000 1.132 128 S CA -0.596 57.554 58.200 -0.083 0.000 1.046 128 S CB 0.674 63.838 63.200 -0.061 0.000 1.004 128 S HN 0.558 nan 8.310 nan 0.000 0.483 129 T N 1.843 116.360 114.554 -0.063 0.000 2.859 129 T HA 0.850 5.200 4.350 0.000 0.000 0.281 129 T C -0.078 174.605 174.700 -0.029 0.000 1.005 129 T CA -0.658 61.415 62.100 -0.044 0.000 1.025 129 T CB 1.401 70.241 68.868 -0.046 0.000 0.977 129 T HN 0.801 nan 8.240 nan 0.000 0.458 130 S N 0.065 115.755 115.700 -0.018 0.000 2.656 130 S HA 0.776 5.246 4.470 0.000 0.000 0.273 130 S C -0.479 174.121 174.600 -0.000 0.000 1.168 130 S CA -0.692 57.503 58.200 -0.008 0.000 0.817 130 S CB 1.275 64.472 63.200 -0.005 0.000 1.146 130 S HN 1.473 nan 8.310 nan 0.000 0.475 131 A N -0.034 122.790 122.820 0.005 0.000 2.806 131 A HA 0.526 4.846 4.320 0.000 0.000 0.266 131 A C -0.201 177.395 177.584 0.020 0.000 0.926 131 A CA -0.348 51.696 52.037 0.012 0.000 1.068 131 A CB -0.243 18.761 19.000 0.007 0.000 1.189 131 A HN 0.707 nan 8.150 nan 0.000 0.481 132 E N 0.605 120.819 120.200 0.023 0.000 2.259 132 E HA 0.389 4.740 4.350 0.000 0.000 0.281 132 E C -0.829 175.799 176.600 0.047 0.000 1.037 132 E CA -0.294 56.125 56.400 0.032 0.000 0.854 132 E CB 0.627 30.344 29.700 0.029 0.000 1.051 132 E HN 0.522 nan 8.360 nan 0.000 0.409 133 I N 4.563 125.165 120.570 0.054 0.000 2.441 133 I HA 0.022 4.192 4.170 0.000 0.000 0.287 133 I C -0.050 176.115 176.117 0.080 0.000 1.049 133 I CA -0.311 61.031 61.300 0.070 0.000 1.381 133 I CB 0.734 38.776 38.000 0.069 0.000 1.409 133 I HN 0.397 nan 8.210 nan 0.000 0.523 134 L N 7.376 128.661 121.223 0.103 0.000 2.352 134 L HA 0.299 4.639 4.340 0.000 0.000 0.272 134 L C 0.379 177.307 176.870 0.096 0.000 1.109 134 L CA 0.006 54.914 54.840 0.113 0.000 0.952 134 L CB 0.016 42.161 42.059 0.143 0.000 1.314 134 L HN 0.527 nan 8.230 nan 0.000 0.427 135 E N 1.465 121.706 120.200 0.068 0.000 2.608 135 E HA -0.089 4.261 4.350 0.000 0.000 0.259 135 E C 0.555 177.175 176.600 0.032 0.000 0.951 135 E CA 0.876 57.300 56.400 0.040 0.000 0.945 135 E CB 0.786 30.508 29.700 0.038 0.000 0.916 135 E HN 0.793 nan 8.360 nan 0.000 0.477 136 T N 0.606 115.154 114.554 -0.010 0.000 3.000 136 T HA 0.251 4.601 4.350 0.000 0.000 0.248 136 T C 1.345 176.016 174.700 -0.048 0.000 1.034 136 T CA 0.452 62.542 62.100 -0.017 0.000 1.060 136 T CB 0.397 69.227 68.868 -0.063 0.000 0.983 136 T HN 0.715 nan 8.240 nan 0.000 0.482 137 G N 1.671 110.443 108.800 -0.047 0.000 2.143 137 G HA2 -0.186 3.774 3.960 0.000 0.000 0.249 137 G HA3 -0.186 3.774 3.960 0.000 0.000 0.249 137 G C -0.052 174.806 174.900 -0.070 0.000 0.981 137 G CA 0.188 45.255 45.100 -0.054 0.000 0.665 137 G HN 0.677 nan 8.290 nan 0.000 0.528 138 I N 0.648 121.175 120.570 -0.072 0.000 2.330 138 I HA 0.276 4.446 4.170 0.000 0.000 0.289 138 I C 1.553 177.666 176.117 -0.006 0.000 1.001 138 I CA -0.917 60.364 61.300 -0.032 0.000 1.193 138 I CB 1.338 39.319 38.000 -0.032 0.000 1.345 138 I HN -0.016 nan 8.210 nan 0.000 0.461 139 K N 3.719 124.123 120.400 0.007 0.000 2.001 139 K HA -0.234 4.086 4.320 0.000 0.000 0.223 139 K C 1.880 178.457 176.600 -0.039 0.000 1.055 139 K CA 2.271 58.551 56.287 -0.012 0.000 0.965 139 K CB -0.413 32.086 32.500 -0.002 0.000 0.730 139 K HN 0.646 nan 8.250 nan 0.000 0.449 140 V N 0.058 119.970 119.914 -0.004 0.000 2.250 140 V HA -0.278 3.842 4.120 0.000 0.000 0.250 140 V C 2.327 178.410 176.094 -0.019 0.000 1.060 140 V CA 2.065 64.355 62.300 -0.017 0.000 1.030 140 V CB -1.174 30.693 31.823 0.073 0.000 0.643 140 V HN 0.102 nan 8.190 nan 0.000 0.445 141 V N 0.979 120.895 119.914 0.003 0.000 2.237 141 V HA -0.261 3.859 4.120 0.000 0.000 0.245 141 V C 2.483 178.502 176.094 -0.124 0.000 1.046 141 V CA 2.620 64.849 62.300 -0.119 0.000 1.007 141 V CB -0.937 30.697 31.823 -0.315 0.000 0.638 141 V HN 0.519 nan 8.190 nan 0.000 0.445 142 D N -0.576 119.769 120.400 -0.092 0.000 2.263 142 D HA -0.110 4.530 4.640 0.000 0.000 0.208 142 D C 1.714 178.063 176.300 0.082 0.000 0.971 142 D CA 0.965 54.952 54.000 -0.022 0.000 0.867 142 D CB -0.036 40.749 40.800 -0.025 0.000 0.929 142 D HN 0.387 nan 8.370 nan 0.000 0.492 143 L N -0.657 120.577 121.223 0.017 0.000 2.185 143 L HA 0.136 4.476 4.340 0.000 0.000 0.198 143 L C 1.787 178.705 176.870 0.079 0.000 1.079 143 L CA 1.070 55.950 54.840 0.067 0.000 0.780 143 L CB -0.170 41.763 42.059 -0.210 0.000 0.955 143 L HN -0.071 nan 8.230 nan 0.000 0.462 144 L N -0.362 120.831 121.223 -0.050 0.000 2.221 144 L HA 0.316 4.656 4.340 0.000 0.000 0.202 144 L C 0.777 177.623 176.870 -0.041 0.000 1.074 144 L CA 0.569 55.366 54.840 -0.070 0.000 0.795 144 L CB -0.336 41.665 42.059 -0.097 0.000 0.960 144 L HN 0.268 nan 8.230 nan 0.000 0.458 145 A N 0.442 123.256 122.820 -0.011 0.000 2.943 145 A HA 0.560 4.880 4.320 0.000 0.000 0.327 145 A C -2.649 174.966 177.584 0.052 0.000 1.141 145 A CA -1.077 50.979 52.037 0.031 0.000 0.773 145 A CB 0.013 19.055 19.000 0.069 0.000 1.143 145 A HN -0.123 nan 8.150 nan 0.000 0.463 146 P HA 0.308 nan 4.420 nan 0.000 0.275 146 P C -0.691 176.717 177.300 0.180 0.000 1.228 146 P CA 0.124 63.237 63.100 0.021 0.000 0.786 146 P CB 0.357 32.076 31.700 0.031 0.000 0.927 147 Y N 0.616 120.953 120.300 0.061 0.000 2.300 147 Y HA 0.505 5.055 4.550 0.000 0.000 0.328 147 Y C 0.952 176.873 175.900 0.035 0.000 1.270 147 Y CA -1.652 56.477 58.100 0.048 0.000 1.352 147 Y CB 0.008 38.504 38.460 0.060 0.000 1.286 147 Y HN 0.333 nan 8.280 nan 0.000 0.536 148 A N 3.205 126.134 122.820 0.181 0.000 2.304 148 A HA 0.544 4.864 4.320 0.000 0.000 0.314 148 A C -0.162 177.458 177.584 0.060 0.000 1.187 148 A CA -1.057 51.036 52.037 0.094 0.000 0.810 148 A CB 0.486 19.521 19.000 0.058 0.000 1.183 148 A HN 0.798 nan 8.150 nan 0.000 0.487 149 R N 1.244 121.780 120.500 0.060 0.000 2.537 149 R HA 0.262 4.602 4.340 0.000 0.000 0.281 149 R C 1.339 177.650 176.300 0.019 0.000 0.988 149 R CA 1.375 57.502 56.100 0.045 0.000 1.077 149 R CB 0.156 30.493 30.300 0.061 0.000 0.932 149 R HN 1.656 nan 8.270 nan 0.000 0.409 150 G N 1.870 110.670 108.800 -0.001 0.000 2.212 150 G HA2 -0.287 3.673 3.960 0.000 0.000 0.266 150 G HA3 -0.287 3.673 3.960 0.000 0.000 0.266 150 G C 0.590 175.471 174.900 -0.031 0.000 0.978 150 G CA 0.115 45.205 45.100 -0.016 0.000 0.632 150 G HN 0.890 nan 8.290 nan 0.000 0.537 151 G N -0.545 108.237 108.800 -0.030 0.000 2.553 151 G HA2 0.599 4.559 3.960 0.000 0.000 0.278 151 G HA3 0.599 4.559 3.960 0.000 0.000 0.278 151 G C -0.123 174.731 174.900 -0.077 0.000 1.349 151 G CA -0.088 44.989 45.100 -0.037 0.000 1.037 151 G HN 0.593 nan 8.290 nan 0.000 0.508 152 K N -0.980 119.372 120.400 -0.081 0.000 2.427 152 K HA 0.582 4.902 4.320 0.000 0.000 0.252 152 K C -1.489 175.024 176.600 -0.144 0.000 0.931 152 K CA -0.499 55.715 56.287 -0.121 0.000 0.793 152 K CB 2.575 35.023 32.500 -0.087 0.000 1.211 152 K HN 0.232 nan 8.250 nan 0.000 0.426 153 I N 1.044 121.479 120.570 -0.226 0.000 2.545 153 I HA 0.448 4.619 4.170 0.000 0.000 0.292 153 I C 0.016 175.989 176.117 -0.240 0.000 1.040 153 I CA -0.343 60.769 61.300 -0.313 0.000 1.068 153 I CB 2.341 39.943 38.000 -0.664 0.000 1.251 153 I HN 0.719 nan 8.210 nan 0.000 0.424 154 G N 5.845 114.561 108.800 -0.141 0.000 2.415 154 G HA2 0.745 4.705 3.960 0.000 0.000 0.327 154 G HA3 0.745 4.705 3.960 0.000 0.000 0.327 154 G C -1.130 173.724 174.900 -0.076 0.000 1.182 154 G CA -0.514 44.496 45.100 -0.150 0.000 0.924 154 G HN 0.457 nan 8.290 nan 0.000 0.470 155 L N 2.156 123.254 121.223 -0.207 0.000 2.337 155 L HA 0.399 4.739 4.340 0.000 0.000 0.269 155 L C -0.973 175.821 176.870 -0.128 0.000 1.018 155 L CA -0.552 54.212 54.840 -0.127 0.000 0.876 155 L CB 0.914 42.875 42.059 -0.162 0.000 1.236 155 L HN 0.338 nan 8.230 nan 0.000 0.436 156 F N 1.432 121.309 119.950 -0.123 0.000 2.408 156 F HA 0.741 5.268 4.527 0.000 0.000 0.344 156 F C 0.935 176.690 175.800 -0.076 0.000 1.112 156 F CA -0.618 57.313 58.000 -0.114 0.000 1.096 156 F CB 1.895 40.819 39.000 -0.127 0.000 1.129 156 F HN 0.345 nan 8.300 nan 0.000 0.486 157 G N 1.166 109.998 108.800 0.053 0.000 2.755 157 G HA2 0.501 4.461 3.960 0.000 0.000 0.297 157 G HA3 0.501 4.461 3.960 0.000 0.000 0.297 157 G C -0.545 174.280 174.900 -0.124 0.000 1.441 157 G CA -0.502 44.605 45.100 0.011 0.000 0.964 157 G HN 0.922 nan 8.290 nan 0.000 0.540 158 G N -0.170 108.535 108.800 -0.159 0.000 2.631 158 G HA2 0.623 4.583 3.960 0.000 0.000 0.271 158 G HA3 0.623 4.583 3.960 0.000 0.000 0.271 158 G C 0.838 175.723 174.900 -0.026 0.000 1.302 158 G CA 0.347 45.282 45.100 -0.274 0.000 1.002 158 G HN 1.668 nan 8.290 nan 0.000 0.519 159 A N -1.222 121.667 122.820 0.114 0.000 2.545 159 A HA 0.496 4.816 4.320 0.000 0.000 0.253 159 A C 1.586 179.254 177.584 0.140 0.000 1.074 159 A CA 1.231 53.427 52.037 0.264 0.000 0.760 159 A CB -0.741 18.410 19.000 0.252 0.000 1.005 159 A HN 2.588 nan 8.150 nan 0.000 0.506 160 G N 0.773 109.655 108.800 0.136 0.000 2.143 160 G HA2 -0.197 3.763 3.960 0.000 0.000 0.249 160 G HA3 -0.197 3.763 3.960 0.000 0.000 0.249 160 G C 0.808 175.764 174.900 0.093 0.000 0.981 160 G CA 0.784 45.938 45.100 0.090 0.000 0.665 160 G HN 2.140 nan 8.290 nan 0.000 0.528 161 V N -3.377 116.604 119.914 0.112 0.000 2.992 161 V HA 0.647 4.768 4.120 0.000 0.000 0.250 161 V C 1.687 177.896 176.094 0.191 0.000 1.090 161 V CA 1.578 63.959 62.300 0.134 0.000 1.101 161 V CB 0.424 32.299 31.823 0.086 0.000 0.743 161 V HN 2.101 nan 8.190 nan 0.000 0.468 162 G N 0.242 109.145 108.800 0.172 0.000 2.332 162 G HA2 -0.104 3.856 3.960 0.000 0.000 0.216 162 G HA3 -0.104 3.856 3.960 0.000 0.000 0.216 162 G C 0.408 175.468 174.900 0.265 0.000 1.041 162 G CA 0.094 45.315 45.100 0.202 0.000 0.836 162 G HN 0.399 nan 8.290 nan 0.000 0.530 163 K N -0.183 120.346 120.400 0.214 0.000 2.103 163 K HA -0.054 4.266 4.320 0.000 0.000 0.207 163 K C 2.340 179.104 176.600 0.273 0.000 1.048 163 K CA 1.851 58.266 56.287 0.213 0.000 0.930 163 K CB -0.084 32.502 32.500 0.144 0.000 0.716 163 K HN 0.293 nan 8.250 nan 0.000 0.444 164 T N 0.587 115.285 114.554 0.241 0.000 2.939 164 T HA -0.020 4.330 4.350 0.000 0.000 0.254 164 T C 2.011 176.864 174.700 0.255 0.000 1.041 164 T CA 0.490 62.732 62.100 0.238 0.000 1.142 164 T CB 0.003 68.987 68.868 0.192 0.000 0.874 164 T HN -0.086 nan 8.240 nan 0.000 0.452 165 V N 1.306 121.366 119.914 0.244 0.000 2.392 165 V HA -0.148 3.973 4.120 0.000 0.000 0.249 165 V C 2.001 178.331 176.094 0.394 0.000 1.059 165 V CA 1.551 64.012 62.300 0.268 0.000 1.051 165 V CB -0.671 31.266 31.823 0.190 0.000 0.658 165 V HN 0.376 nan 8.190 nan 0.000 0.455 166 F N 0.247 120.397 119.950 0.334 0.000 2.051 166 F HA -0.161 4.366 4.527 0.000 0.000 0.296 166 F C 2.190 178.146 175.800 0.260 0.000 1.122 166 F CA 1.788 60.035 58.000 0.412 0.000 1.201 166 F CB -0.265 38.945 39.000 0.351 0.000 0.978 166 F HN 0.026 nan 8.300 nan 0.000 0.472 167 I N -0.330 120.547 120.570 0.511 0.000 2.264 167 I HA -0.357 3.813 4.170 0.000 0.000 0.248 167 I C 2.355 178.582 176.117 0.184 0.000 1.111 167 I CA 1.449 62.973 61.300 0.374 0.000 1.382 167 I CB -0.702 37.508 38.000 0.351 0.000 1.060 167 I HN 0.294 nan 8.210 nan 0.000 0.418 168 Q N 0.361 120.256 119.800 0.157 0.000 2.084 168 Q HA -0.284 4.057 4.340 0.000 0.000 0.202 168 Q C 2.117 178.101 176.000 -0.027 0.000 0.978 168 Q CA 1.908 57.739 55.803 0.046 0.000 0.844 168 Q CB -0.046 28.740 28.738 0.079 0.000 0.898 168 Q HN 0.349 nan 8.270 nan 0.000 0.426 169 E N 0.518 120.687 120.200 -0.051 0.000 2.077 169 E HA -0.154 4.196 4.350 0.000 0.000 0.193 169 E C 1.730 178.204 176.600 -0.210 0.000 0.989 169 E CA 0.932 57.170 56.400 -0.271 0.000 0.800 169 E CB -0.171 29.050 29.700 -0.799 0.000 0.746 169 E HN 0.293 nan 8.360 nan 0.000 0.452 170 L N 0.060 121.250 121.223 -0.056 0.000 2.046 170 L HA -0.164 4.176 4.340 0.000 0.000 0.208 170 L C 2.465 179.354 176.870 0.032 0.000 1.077 170 L CA 1.105 55.998 54.840 0.088 0.000 0.747 170 L CB -0.365 41.910 42.059 0.360 0.000 0.896 170 L HN 0.251 nan 8.230 nan 0.000 0.432 171 I N -0.189 120.299 120.570 -0.136 0.000 2.163 171 I HA -0.348 3.822 4.170 0.000 0.000 0.243 171 I C 2.282 178.318 176.117 -0.134 0.000 1.085 171 I CA 1.542 62.653 61.300 -0.314 0.000 1.347 171 I CB -0.401 37.329 38.000 -0.450 0.000 1.044 171 I HN 0.345 nan 8.210 nan 0.000 0.408 172 N N 1.215 119.848 118.700 -0.112 0.000 2.036 172 N HA -0.222 4.518 4.740 0.000 0.000 0.195 172 N C 1.538 177.011 175.510 -0.060 0.000 1.037 172 N CA 1.927 54.926 53.050 -0.085 0.000 0.855 172 N CB -0.122 38.305 38.487 -0.100 0.000 1.033 172 N HN 0.234 nan 8.380 nan 0.000 0.423 173 N N -0.567 118.093 118.700 -0.066 0.000 2.216 173 N HA 0.022 4.762 4.740 0.000 0.000 0.183 173 N C 1.465 176.984 175.510 0.015 0.000 1.017 173 N CA 0.941 53.966 53.050 -0.040 0.000 0.861 173 N CB 0.037 38.483 38.487 -0.069 0.000 0.986 173 N HN 0.387 nan 8.380 nan 0.000 0.428 174 I N -0.080 120.520 120.570 0.050 0.000 2.900 174 I HA 0.113 4.283 4.170 0.000 0.000 0.251 174 I C 2.159 178.349 176.117 0.121 0.000 1.102 174 I CA 0.354 61.715 61.300 0.102 0.000 1.457 174 I CB -0.413 37.677 38.000 0.148 0.000 1.285 174 I HN -0.053 nan 8.210 nan 0.000 0.459 175 A N 1.858 124.751 122.820 0.121 0.000 1.909 175 A HA -0.341 3.979 4.320 0.000 0.000 0.221 175 A C 2.212 179.876 177.584 0.134 0.000 1.223 175 A CA 2.532 54.653 52.037 0.140 0.000 0.658 175 A CB -0.848 18.187 19.000 0.059 0.000 0.831 175 A HN 0.395 nan 8.150 nan 0.000 0.462 176 K N -0.511 119.937 120.400 0.080 0.000 1.988 176 K HA -0.108 4.212 4.320 0.000 0.000 0.221 176 K C 1.662 178.314 176.600 0.086 0.000 1.053 176 K CA 1.491 57.818 56.287 0.067 0.000 0.959 176 K CB -0.450 32.071 32.500 0.034 0.000 0.728 176 K HN 0.436 nan 8.250 nan 0.000 0.447 177 A N 1.458 124.329 122.820 0.086 0.000 2.648 177 A HA 0.027 4.347 4.320 0.000 0.000 0.269 177 A C 1.031 178.681 177.584 0.111 0.000 1.392 177 A CA 0.071 52.153 52.037 0.075 0.000 1.019 177 A CB -0.651 18.379 19.000 0.050 0.000 1.009 177 A HN 0.375 nan 8.150 nan 0.000 0.565 178 H N -0.524 118.567 119.070 0.034 0.000 2.431 178 H HA 0.286 4.842 4.556 0.000 0.000 0.295 178 H C 1.797 177.115 175.328 -0.015 0.000 1.038 178 H CA 2.010 58.074 56.048 0.025 0.000 1.360 178 H CB 0.342 30.139 29.762 0.057 0.000 1.433 178 H HN 0.592 nan 8.280 nan 0.000 0.536 179 G N -0.725 108.007 108.800 -0.113 0.000 3.586 179 G HA2 -0.276 3.684 3.960 0.000 0.000 0.212 179 G HA3 -0.276 3.684 3.960 0.000 0.000 0.212 179 G C 1.095 175.807 174.900 -0.312 0.000 1.411 179 G CA 0.391 45.364 45.100 -0.212 0.000 0.898 179 G HN 0.833 nan 8.290 nan 0.000 0.575 180 G N 0.287 108.839 108.800 -0.414 0.000 2.647 180 G HA2 0.460 4.420 3.960 0.000 0.000 0.271 180 G HA3 0.460 4.420 3.960 0.000 0.000 0.271 180 G C 0.020 174.801 174.900 -0.199 0.000 1.300 180 G CA 0.233 45.102 45.100 -0.386 0.000 0.997 180 G HN 0.457 nan 8.290 nan 0.000 0.533 181 F N -1.081 118.827 119.950 -0.070 0.000 2.380 181 F HA 0.589 5.117 4.527 0.000 0.000 0.319 181 F C 0.857 176.671 175.800 0.024 0.000 1.113 181 F CA -0.954 56.959 58.000 -0.143 0.000 1.056 181 F CB 1.588 40.228 39.000 -0.599 0.000 1.289 181 F HN 0.184 nan 8.300 nan 0.000 0.515 182 S N 0.347 116.222 115.700 0.293 0.000 2.500 182 S HA 0.708 5.178 4.470 0.000 0.000 0.301 182 S C -1.068 173.698 174.600 0.276 0.000 1.092 182 S CA -0.661 57.716 58.200 0.296 0.000 1.030 182 S CB 1.819 65.225 63.200 0.344 0.000 1.031 182 S HN 0.277 nan 8.310 nan 0.000 0.483 183 V N 3.831 123.915 119.914 0.283 0.000 2.495 183 V HA 0.543 4.663 4.120 0.000 0.000 0.298 183 V C -1.088 175.166 176.094 0.266 0.000 1.031 183 V CA -0.702 61.746 62.300 0.247 0.000 0.871 183 V CB 1.398 33.342 31.823 0.202 0.000 0.988 183 V HN 0.831 nan 8.190 nan 0.000 0.432 184 F N 3.425 123.423 119.950 0.080 0.000 2.449 184 F HA 0.664 5.192 4.527 0.000 0.000 0.342 184 F C 0.237 175.929 175.800 -0.181 0.000 1.127 184 F CA -0.127 57.886 58.000 0.022 0.000 0.975 184 F CB 1.719 40.725 39.000 0.010 0.000 1.146 184 F HN 0.483 nan 8.300 nan 0.000 0.444 185 T N 4.601 118.817 114.554 -0.563 0.000 2.770 185 T HA 0.533 4.883 4.350 0.000 0.000 0.283 185 T C 0.121 174.476 174.700 -0.576 0.000 0.988 185 T CA -0.656 61.167 62.100 -0.462 0.000 0.957 185 T CB 1.293 69.976 68.868 -0.308 0.000 0.930 185 T HN 0.853 nan 8.240 nan 0.000 0.443 186 G N 1.885 110.458 108.800 -0.378 0.000 2.404 186 G HA2 0.515 4.475 3.960 0.000 0.000 0.316 186 G HA3 0.515 4.475 3.960 0.000 0.000 0.316 186 G C -0.519 174.402 174.900 0.036 0.000 1.074 186 G CA -0.448 44.657 45.100 0.008 0.000 0.989 186 G HN 0.669 nan 8.290 nan 0.000 0.430 187 V N 2.753 122.675 119.914 0.014 0.000 2.294 187 V HA 0.591 4.711 4.120 0.000 0.000 0.272 187 V C 1.162 177.293 176.094 0.063 0.000 1.027 187 V CA 0.332 62.648 62.300 0.027 0.000 0.823 187 V CB 0.642 32.460 31.823 -0.008 0.000 1.030 187 V HN 1.335 nan 8.190 nan 0.000 0.457 188 G N 3.351 112.198 108.800 0.077 0.000 2.198 188 G HA2 -0.179 3.781 3.960 0.000 0.000 0.260 188 G HA3 -0.179 3.781 3.960 0.000 0.000 0.260 188 G C 0.111 175.051 174.900 0.068 0.000 1.025 188 G CA 0.321 45.455 45.100 0.057 0.000 0.769 188 G HN 0.579 nan 8.290 nan 0.000 0.507 189 E N -0.757 119.511 120.200 0.114 0.000 2.568 189 E HA 0.449 4.799 4.350 0.000 0.000 0.242 189 E C 0.727 177.396 176.600 0.114 0.000 0.945 189 E CA -1.002 55.468 56.400 0.116 0.000 0.918 189 E CB 0.644 30.437 29.700 0.155 0.000 1.386 189 E HN 0.359 nan 8.360 nan 0.000 0.426 190 R N 0.496 121.058 120.500 0.105 0.000 2.347 190 R HA 0.160 4.500 4.340 0.000 0.000 0.304 190 R C 1.069 177.400 176.300 0.050 0.000 1.072 190 R CA 0.085 56.225 56.100 0.067 0.000 0.980 190 R CB 0.206 30.541 30.300 0.058 0.000 0.986 190 R HN 0.432 nan 8.270 nan 0.000 0.448 191 T N 2.232 116.793 114.554 0.011 0.000 2.803 191 T HA -0.208 4.142 4.350 0.000 0.000 0.269 191 T C 1.754 176.399 174.700 -0.090 0.000 1.052 191 T CA 1.399 63.465 62.100 -0.056 0.000 1.136 191 T CB -0.132 68.704 68.868 -0.054 0.000 0.864 191 T HN 0.544 nan 8.240 nan 0.000 0.467 192 R N 1.162 121.639 120.500 -0.038 0.000 2.075 192 R HA -0.087 4.253 4.340 0.000 0.000 0.232 192 R C 2.175 178.460 176.300 -0.025 0.000 1.126 192 R CA 1.557 57.638 56.100 -0.032 0.000 0.963 192 R CB -0.173 30.125 30.300 -0.004 0.000 0.858 192 R HN 0.453 nan 8.270 nan 0.000 0.435 193 E N -0.432 119.775 120.200 0.011 0.000 2.130 193 E HA -0.184 4.166 4.350 0.000 0.000 0.196 193 E C 1.815 178.415 176.600 0.000 0.000 0.998 193 E CA 1.305 57.728 56.400 0.039 0.000 0.806 193 E CB -0.273 29.488 29.700 0.102 0.000 0.738 193 E HN 0.612 nan 8.360 nan 0.000 0.459 194 G N 1.719 110.471 108.800 -0.079 0.000 2.552 194 G HA2 -0.381 3.579 3.960 0.000 0.000 0.216 194 G HA3 -0.381 3.579 3.960 0.000 0.000 0.216 194 G C 1.381 176.128 174.900 -0.255 0.000 1.240 194 G CA 0.867 45.752 45.100 -0.358 0.000 0.796 194 G HN 0.217 nan 8.290 nan 0.000 0.568 195 N N 1.159 119.725 118.700 -0.222 0.000 2.111 195 N HA -0.193 4.547 4.740 0.000 0.000 0.197 195 N C 1.739 177.246 175.510 -0.005 0.000 1.011 195 N CA 2.059 55.067 53.050 -0.071 0.000 0.880 195 N CB -0.368 38.081 38.487 -0.065 0.000 1.031 195 N HN 0.215 nan 8.380 nan 0.000 0.444 196 D N 0.402 120.789 120.400 -0.022 0.000 2.084 196 D HA -0.116 4.525 4.640 0.000 0.000 0.194 196 D C 2.041 178.331 176.300 -0.016 0.000 0.990 196 D CA 0.519 54.513 54.000 -0.010 0.000 0.826 196 D CB -0.474 40.328 40.800 0.003 0.000 0.971 196 D HN 0.255 nan 8.370 nan 0.000 0.453 197 L N -0.260 120.947 121.223 -0.027 0.000 2.042 197 L HA -0.210 4.130 4.340 0.000 0.000 0.210 197 L C 2.225 179.094 176.870 -0.001 0.000 1.076 197 L CA 1.492 56.297 54.840 -0.059 0.000 0.749 197 L CB -0.586 41.381 42.059 -0.152 0.000 0.893 197 L HN 0.073 nan 8.230 nan 0.000 0.432 198 Y N 0.197 120.437 120.300 -0.099 0.000 2.274 198 Y HA -0.226 4.324 4.550 0.000 0.000 0.290 198 Y C 2.743 178.609 175.900 -0.057 0.000 1.145 198 Y CA 1.743 59.802 58.100 -0.068 0.000 1.203 198 Y CB -0.283 38.129 38.460 -0.081 0.000 0.984 198 Y HN 0.192 nan 8.280 nan 0.000 0.533 199 R N 0.164 120.594 120.500 -0.116 0.000 2.062 199 R HA -0.176 4.164 4.340 0.000 0.000 0.229 199 R C 2.290 178.502 176.300 -0.146 0.000 1.128 199 R CA 1.618 57.610 56.100 -0.180 0.000 0.960 199 R CB -0.255 29.989 30.300 -0.093 0.000 0.855 199 R HN 0.446 nan 8.270 nan 0.000 0.432 200 E N 0.436 120.581 120.200 -0.093 0.000 2.118 200 E HA -0.195 4.155 4.350 0.000 0.000 0.195 200 E C 1.886 178.435 176.600 -0.084 0.000 0.992 200 E CA 1.829 58.182 56.400 -0.078 0.000 0.804 200 E CB -0.043 29.620 29.700 -0.063 0.000 0.741 200 E HN 0.270 nan 8.360 nan 0.000 0.458 201 M N 0.010 119.557 119.600 -0.087 0.000 2.229 201 M HA -0.040 4.440 4.480 0.000 0.000 0.264 201 M C 2.103 178.347 176.300 -0.092 0.000 1.063 201 M CA 1.341 56.599 55.300 -0.070 0.000 1.114 201 M CB -0.456 32.127 32.600 -0.028 0.000 1.387 201 M HN 0.034 nan 8.290 nan 0.000 0.420 202 K N 0.813 121.116 120.400 -0.162 0.000 2.103 202 K HA -0.109 4.211 4.320 0.000 0.000 0.204 202 K C 1.799 178.327 176.600 -0.119 0.000 1.052 202 K CA 1.143 57.322 56.287 -0.181 0.000 0.945 202 K CB 0.091 32.405 32.500 -0.310 0.000 0.722 202 K HN 0.344 nan 8.250 nan 0.000 0.443 203 E N -0.665 119.472 120.200 -0.105 0.000 2.299 203 E HA -0.070 4.280 4.350 0.000 0.000 0.193 203 E C 1.432 177.998 176.600 -0.056 0.000 0.998 203 E CA 1.256 57.610 56.400 -0.076 0.000 0.851 203 E CB 0.366 30.023 29.700 -0.072 0.000 0.795 203 E HN 0.342 nan 8.360 nan 0.000 0.492 204 T N -3.382 111.139 114.554 -0.054 0.000 3.107 204 T HA 0.221 4.571 4.350 0.000 0.000 0.249 204 T C 1.642 176.324 174.700 -0.030 0.000 1.096 204 T CA 0.317 62.394 62.100 -0.039 0.000 1.012 204 T CB 0.473 69.319 68.868 -0.037 0.000 0.977 204 T HN 0.208 nan 8.240 nan 0.000 0.527 205 G N 0.945 109.722 108.800 -0.038 0.000 2.189 205 G HA2 -0.335 3.625 3.960 0.000 0.000 0.267 205 G HA3 -0.335 3.625 3.960 0.000 0.000 0.267 205 G C 0.969 175.862 174.900 -0.010 0.000 0.975 205 G CA 0.349 45.433 45.100 -0.027 0.000 0.644 205 G HN 0.600 nan 8.290 nan 0.000 0.537 206 V N -0.170 119.739 119.914 -0.008 0.000 2.546 206 V HA 0.002 4.122 4.120 0.000 0.000 0.254 206 V C 1.622 177.727 176.094 0.018 0.000 1.076 206 V CA 1.981 64.288 62.300 0.013 0.000 1.087 206 V CB -0.309 31.519 31.823 0.008 0.000 0.674 206 V HN 0.554 nan 8.190 nan 0.000 0.470 207 I N 0.045 120.615 120.570 0.000 0.000 2.474 207 I HA 0.388 4.558 4.170 0.000 0.000 0.294 207 I C -0.383 175.723 176.117 -0.018 0.000 1.005 207 I CA -0.204 61.100 61.300 0.007 0.000 1.113 207 I CB 1.816 39.829 38.000 0.021 0.000 1.289 207 I HN 0.102 nan 8.210 nan 0.000 0.436 208 N N 4.425 123.122 118.700 -0.005 0.000 2.371 208 N HA 0.427 5.168 4.740 0.000 0.000 0.291 208 N C 0.348 175.858 175.510 -0.001 0.000 1.053 208 N CA -0.537 52.505 53.050 -0.013 0.000 0.870 208 N CB 1.812 40.294 38.487 -0.007 0.000 1.503 208 N HN 0.509 nan 8.380 nan 0.000 0.485 209 L N 1.756 122.975 121.223 -0.006 0.000 2.095 209 L HA 0.110 4.451 4.340 0.000 0.000 0.204 209 L C 1.590 178.465 176.870 0.008 0.000 1.080 209 L CA 0.940 55.786 54.840 0.010 0.000 0.759 209 L CB -0.074 41.990 42.059 0.009 0.000 0.914 209 L HN 0.599 nan 8.230 nan 0.000 0.439 210 E N -0.056 120.144 120.200 0.000 0.000 2.358 210 E HA 0.024 4.374 4.350 0.000 0.000 0.195 210 E C 1.122 177.725 176.600 0.005 0.000 1.010 210 E CA 0.654 57.055 56.400 0.002 0.000 0.856 210 E CB 0.199 29.898 29.700 -0.002 0.000 0.795 210 E HN 0.417 nan 8.360 nan 0.000 0.504 211 G N -0.645 108.158 108.800 0.004 0.000 3.247 211 G HA2 0.379 4.339 3.960 0.000 0.000 0.163 211 G HA3 0.379 4.339 3.960 0.000 0.000 0.163 211 G C -0.832 174.075 174.900 0.011 0.000 1.206 211 G CA -0.620 44.485 45.100 0.008 0.000 0.918 211 G HN 0.020 nan 8.290 nan 0.000 0.625 212 E N -0.421 119.788 120.200 0.015 0.000 2.222 212 E HA 0.673 5.023 4.350 0.000 0.000 0.267 212 E C -1.002 175.606 176.600 0.013 0.000 0.963 212 E CA -0.608 55.803 56.400 0.017 0.000 0.837 212 E CB 1.893 31.613 29.700 0.034 0.000 1.183 212 E HN 0.252 nan 8.360 nan 0.000 0.403 213 S N 0.809 116.506 115.700 -0.005 0.000 2.571 213 S HA 0.289 4.759 4.470 0.000 0.000 0.284 213 S C 0.160 174.728 174.600 -0.054 0.000 1.128 213 S CA -1.007 57.186 58.200 -0.012 0.000 0.970 213 S CB 1.436 64.630 63.200 -0.009 0.000 1.039 213 S HN 0.405 nan 8.310 nan 0.000 0.485 214 K N 0.697 121.105 120.400 0.013 0.000 2.305 214 K HA 0.136 4.456 4.320 0.000 0.000 0.199 214 K C 0.418 177.021 176.600 0.006 0.000 1.047 214 K CA 0.596 56.929 56.287 0.077 0.000 0.976 214 K CB 0.366 32.970 32.500 0.174 0.000 0.765 214 K HN 0.422 nan 8.250 nan 0.000 0.474 215 V N 0.440 120.360 119.914 0.010 0.000 2.588 215 V HA 0.604 4.724 4.120 0.000 0.000 0.304 215 V C -1.443 174.697 176.094 0.077 0.000 1.042 215 V CA -0.835 61.508 62.300 0.071 0.000 0.877 215 V CB 1.526 33.424 31.823 0.125 0.000 0.996 215 V HN 0.127 nan 8.190 nan 0.000 0.425 216 A N 7.243 130.134 122.820 0.119 0.000 2.310 216 A HA 0.831 5.151 4.320 0.000 0.000 0.299 216 A C -0.731 176.940 177.584 0.145 0.000 1.147 216 A CA -0.599 51.516 52.037 0.130 0.000 0.818 216 A CB 0.642 19.742 19.000 0.168 0.000 1.096 216 A HN 0.940 nan 8.150 nan 0.000 0.495 217 L N 2.732 124.031 121.223 0.126 0.000 2.341 217 L HA 0.607 4.947 4.340 0.000 0.000 0.278 217 L C -0.963 175.936 176.870 0.049 0.000 1.005 217 L CA -0.800 54.114 54.840 0.122 0.000 0.818 217 L CB 1.848 44.056 42.059 0.250 0.000 1.259 217 L HN 0.429 nan 8.230 nan 0.000 0.418 218 V N 3.220 123.048 119.914 -0.143 0.000 2.709 218 V HA 0.549 4.669 4.120 0.000 0.000 0.308 218 V C -1.016 174.847 176.094 -0.384 0.000 1.062 218 V CA -0.506 61.713 62.300 -0.135 0.000 0.901 218 V CB 2.199 33.962 31.823 -0.100 0.000 1.003 218 V HN 0.410 nan 8.190 nan 0.000 0.425 219 F N 1.643 121.623 119.950 0.050 0.000 2.569 219 F HA 0.784 5.311 4.527 0.000 0.000 0.312 219 F C 0.490 176.306 175.800 0.027 0.000 1.109 219 F CA -0.570 57.462 58.000 0.054 0.000 0.919 219 F CB 2.716 41.738 39.000 0.036 0.000 1.211 219 F HN 0.561 nan 8.300 nan 0.000 0.446 220 G N 3.405 112.338 108.800 0.222 0.000 3.594 220 G HA2 0.332 4.292 3.960 0.000 0.000 0.295 220 G HA3 0.332 4.292 3.960 0.000 0.000 0.295 220 G C -1.085 173.890 174.900 0.124 0.000 1.576 220 G CA -0.508 44.667 45.100 0.126 0.000 0.661 220 G HN 0.275 nan 8.290 nan 0.000 0.452 221 Q N 0.930 120.811 119.800 0.136 0.000 2.237 221 Q HA 0.277 4.617 4.340 0.000 0.000 0.219 221 Q C 2.030 178.069 176.000 0.065 0.000 0.999 221 Q CA -0.782 55.094 55.803 0.120 0.000 0.959 221 Q CB 1.014 29.822 28.738 0.116 0.000 1.173 221 Q HN 0.716 nan 8.270 nan 0.000 0.527 222 M N -0.166 119.466 119.600 0.052 0.000 2.706 222 M HA -0.098 4.382 4.480 0.000 0.000 0.251 222 M C 0.757 177.066 176.300 0.016 0.000 1.070 222 M CA 1.450 56.765 55.300 0.025 0.000 1.073 222 M CB -0.326 32.284 32.600 0.017 0.000 1.449 222 M HN 0.407 nan 8.290 nan 0.000 0.531 223 N N 0.355 119.066 118.700 0.019 0.000 2.424 223 N HA 0.000 4.740 4.740 0.000 0.000 0.178 223 N C -0.049 175.467 175.510 0.011 0.000 1.060 223 N CA 0.370 53.427 53.050 0.011 0.000 0.901 223 N CB -0.253 38.239 38.487 0.009 0.000 0.979 223 N HN 0.458 nan 8.380 nan 0.000 0.451 224 E N 1.663 121.873 120.200 0.017 0.000 2.374 224 E HA 0.303 4.653 4.350 0.000 0.000 0.260 224 E C -2.103 174.502 176.600 0.007 0.000 1.101 224 E CA -1.690 54.719 56.400 0.015 0.000 0.907 224 E CB 0.256 29.971 29.700 0.026 0.000 1.014 224 E HN 0.202 nan 8.360 nan 0.000 0.427 225 P HA 0.038 nan 4.420 nan 0.000 0.273 225 P C -1.793 175.503 177.300 -0.007 0.000 1.250 225 P CA -0.889 62.210 63.100 -0.002 0.000 0.793 225 P CB -0.033 31.667 31.700 0.000 0.000 1.011 226 P HA -0.162 nan 4.420 nan 0.000 0.217 226 P C 1.485 178.772 177.300 -0.023 0.000 1.150 226 P CA 1.914 64.996 63.100 -0.030 0.000 0.832 226 P CB -0.587 31.090 31.700 -0.039 0.000 0.787 227 G N 0.602 109.397 108.800 -0.008 0.000 2.418 227 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 227 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 227 G C 1.840 176.749 174.900 0.015 0.000 1.158 227 G CA 1.158 46.261 45.100 0.005 0.000 0.771 227 G HN 0.362 nan 8.290 nan 0.000 0.545 228 A N 0.752 123.581 122.820 0.014 0.000 1.877 228 A HA -0.005 4.315 4.320 0.000 0.000 0.216 228 A C 2.423 180.022 177.584 0.025 0.000 1.186 228 A CA 1.609 53.659 52.037 0.021 0.000 0.620 228 A CB -0.413 18.599 19.000 0.022 0.000 0.822 228 A HN 0.342 nan 8.150 nan 0.000 0.443 229 R N -0.703 119.807 120.500 0.017 0.000 2.120 229 R HA -0.083 4.257 4.340 0.000 0.000 0.234 229 R C 2.266 178.590 176.300 0.040 0.000 1.123 229 R CA 1.129 57.240 56.100 0.019 0.000 0.975 229 R CB -0.333 29.963 30.300 -0.007 0.000 0.866 229 R HN 0.533 nan 8.270 nan 0.000 0.446 230 A N 0.339 123.175 122.820 0.026 0.000 2.021 230 A HA -0.000 4.320 4.320 0.000 0.000 0.216 230 A C 1.789 179.479 177.584 0.175 0.000 1.163 230 A CA 0.692 52.760 52.037 0.052 0.000 0.676 230 A CB 0.154 19.128 19.000 -0.043 0.000 0.818 230 A HN 0.044 nan 8.150 nan 0.000 0.453 231 R N -1.173 119.384 120.500 0.095 0.000 2.282 231 R HA 0.146 4.486 4.340 0.000 0.000 0.195 231 R C 1.757 178.059 176.300 0.005 0.000 0.909 231 R CA 0.716 56.849 56.100 0.056 0.000 1.039 231 R CB -0.960 29.355 30.300 0.025 0.000 1.015 231 R HN 0.358 nan 8.270 nan 0.000 0.513 232 V N 1.493 121.417 119.914 0.016 0.000 2.407 232 V HA -0.199 3.921 4.120 0.000 0.000 0.248 232 V C 2.155 178.214 176.094 -0.059 0.000 1.055 232 V CA 2.078 64.368 62.300 -0.016 0.000 1.049 232 V CB -0.361 31.465 31.823 0.006 0.000 0.662 232 V HN 0.301 nan 8.190 nan 0.000 0.455 233 A N -0.269 122.512 122.820 -0.066 0.000 1.933 233 A HA -0.123 4.197 4.320 0.000 0.000 0.218 233 A C 2.105 179.589 177.584 -0.166 0.000 1.175 233 A CA 1.914 53.863 52.037 -0.146 0.000 0.628 233 A CB -0.496 18.372 19.000 -0.222 0.000 0.814 233 A HN 0.587 nan 8.150 nan 0.000 0.444 234 L N -0.785 120.347 121.223 -0.151 0.000 2.046 234 L HA -0.173 4.167 4.340 0.000 0.000 0.208 234 L C 2.754 179.537 176.870 -0.145 0.000 1.077 234 L CA 1.794 56.533 54.840 -0.168 0.000 0.747 234 L CB -1.508 40.427 42.059 -0.206 0.000 0.896 234 L HN 0.324 nan 8.230 nan 0.000 0.432 235 T N 0.253 114.733 114.554 -0.124 0.000 2.607 235 T HA -0.175 4.175 4.350 0.000 0.000 0.267 235 T C 1.879 176.524 174.700 -0.092 0.000 1.049 235 T CA 1.679 63.718 62.100 -0.101 0.000 1.162 235 T CB -0.734 68.088 68.868 -0.076 0.000 0.863 235 T HN 0.573 nan 8.240 nan 0.000 0.424 236 G N 1.220 109.962 108.800 -0.095 0.000 2.432 236 G HA2 -0.124 3.836 3.960 0.000 0.000 0.219 236 G HA3 -0.124 3.836 3.960 0.000 0.000 0.219 236 G C 1.532 176.388 174.900 -0.074 0.000 1.135 236 G CA 0.859 45.908 45.100 -0.085 0.000 0.767 236 G HN 0.433 nan 8.290 nan 0.000 0.550 237 L N 0.858 122.021 121.223 -0.100 0.000 2.072 237 L HA 0.107 4.447 4.340 0.000 0.000 0.205 237 L C 2.651 179.481 176.870 -0.066 0.000 1.079 237 L CA 2.476 57.261 54.840 -0.092 0.000 0.752 237 L CB -1.167 40.813 42.059 -0.132 0.000 0.906 237 L HN 0.115 nan 8.230 nan 0.000 0.436 238 T N 0.465 114.972 114.554 -0.080 0.000 2.759 238 T HA -0.150 4.200 4.350 0.000 0.000 0.269 238 T C 2.011 176.672 174.700 -0.065 0.000 1.042 238 T CA 2.081 64.140 62.100 -0.068 0.000 1.140 238 T CB -0.345 68.471 68.868 -0.087 0.000 0.864 238 T HN 0.368 nan 8.240 nan 0.000 0.455 239 I N 1.176 121.696 120.570 -0.083 0.000 2.252 239 I HA -0.126 4.044 4.170 0.000 0.000 0.245 239 I C 2.970 179.037 176.117 -0.083 0.000 1.102 239 I CA 0.947 62.164 61.300 -0.138 0.000 1.385 239 I CB -0.567 37.381 38.000 -0.087 0.000 1.064 239 I HN 0.194 nan 8.210 nan 0.000 0.414 240 A N 0.724 123.576 122.820 0.054 0.000 1.883 240 A HA -0.260 4.060 4.320 0.000 0.000 0.217 240 A C 2.199 179.859 177.584 0.127 0.000 1.186 240 A CA 1.906 54.042 52.037 0.165 0.000 0.624 240 A CB -0.659 18.392 19.000 0.085 0.000 0.822 240 A HN 0.412 nan 8.150 nan 0.000 0.444 241 E N -1.686 118.540 120.200 0.044 0.000 2.049 241 E HA -0.252 4.098 4.350 0.000 0.000 0.198 241 E C 1.872 178.498 176.600 0.043 0.000 1.007 241 E CA 1.722 58.141 56.400 0.032 0.000 0.809 241 E CB -0.363 29.342 29.700 0.007 0.000 0.749 241 E HN 0.740 nan 8.360 nan 0.000 0.450 242 Y N 0.092 120.325 120.300 -0.113 0.000 2.114 242 Y HA -0.304 4.247 4.550 0.000 0.000 0.282 242 Y C 1.875 177.745 175.900 -0.051 0.000 1.165 242 Y CA 1.749 59.763 58.100 -0.144 0.000 1.148 242 Y CB -0.250 38.040 38.460 -0.282 0.000 0.972 242 Y HN 0.023 nan 8.280 nan 0.000 0.504 243 F N 0.081 120.153 119.950 0.203 0.000 2.126 243 F HA -0.193 4.334 4.527 0.000 0.000 0.299 243 F C 2.731 178.543 175.800 0.021 0.000 1.096 243 F CA 1.910 60.009 58.000 0.165 0.000 1.255 243 F CB -0.984 38.190 39.000 0.290 0.000 0.997 243 F HN 0.014 nan 8.300 nan 0.000 0.479 244 R N 0.327 120.936 120.500 0.182 0.000 2.066 244 R HA -0.138 4.202 4.340 0.000 0.000 0.232 244 R C 1.522 177.814 176.300 -0.013 0.000 1.131 244 R CA 1.999 58.138 56.100 0.066 0.000 0.955 244 R CB -0.314 30.017 30.300 0.050 0.000 0.851 244 R HN 0.146 nan 8.270 nan 0.000 0.432 245 D N -0.196 120.165 120.400 -0.064 0.000 2.240 245 D HA -0.043 4.597 4.640 0.000 0.000 0.206 245 D C 1.207 177.396 176.300 -0.185 0.000 0.963 245 D CA 0.790 54.726 54.000 -0.107 0.000 0.863 245 D CB 0.276 41.021 40.800 -0.092 0.000 0.973 245 D HN 0.251 nan 8.370 nan 0.000 0.501 246 E N 0.154 120.146 120.200 -0.348 0.000 2.489 246 E HA 0.111 4.461 4.350 0.000 0.000 0.204 246 E C 0.775 177.219 176.600 -0.260 0.000 1.006 246 E CA 0.209 56.342 56.400 -0.446 0.000 0.936 246 E CB 0.838 29.899 29.700 -1.066 0.000 1.002 246 E HN 0.390 nan 8.360 nan 0.000 0.488 247 E N -0.155 119.967 120.200 -0.131 0.000 2.641 247 E HA 0.175 4.525 4.350 0.000 0.000 0.224 247 E C 0.328 176.922 176.600 -0.010 0.000 0.951 247 E CA 0.154 56.555 56.400 0.002 0.000 1.102 247 E CB 1.313 31.119 29.700 0.176 0.000 1.091 247 E HN 0.169 nan 8.360 nan 0.000 0.507 248 G N 3.016 111.799 108.800 -0.028 0.000 2.338 248 G HA2 -0.266 3.694 3.960 0.000 0.000 0.296 248 G HA3 -0.266 3.694 3.960 0.000 0.000 0.296 248 G C 0.092 174.965 174.900 -0.045 0.000 1.040 248 G CA 0.444 45.523 45.100 -0.035 0.000 1.004 248 G HN 0.070 nan 8.290 nan 0.000 0.509 249 Q N -0.504 119.282 119.800 -0.025 0.000 2.212 249 Q HA 0.376 4.716 4.340 0.000 0.000 0.238 249 Q C -0.552 175.429 176.000 -0.032 0.000 0.955 249 Q CA -0.554 55.207 55.803 -0.071 0.000 0.906 249 Q CB 1.051 29.751 28.738 -0.063 0.000 1.215 249 Q HN 0.295 nan 8.270 nan 0.000 0.478 250 D N 1.103 121.474 120.400 -0.048 0.000 2.479 250 D HA 0.216 4.856 4.640 0.000 0.000 0.218 250 D C -0.542 175.857 176.300 0.165 0.000 1.131 250 D CA -0.128 53.913 54.000 0.068 0.000 0.916 250 D CB 0.581 41.434 40.800 0.089 0.000 1.022 250 D HN 0.084 nan 8.370 nan 0.000 0.515 251 V N 2.359 122.342 119.914 0.116 0.000 2.811 251 V HA 0.205 4.325 4.120 0.000 0.000 0.302 251 V C 0.690 176.813 176.094 0.049 0.000 1.063 251 V CA -0.504 61.875 62.300 0.132 0.000 1.088 251 V CB 0.919 32.844 31.823 0.170 0.000 0.982 251 V HN 0.321 nan 8.190 nan 0.000 0.485 252 L N 4.485 125.715 121.223 0.012 0.000 2.322 252 L HA 0.588 4.928 4.340 0.000 0.000 0.281 252 L C -0.717 176.051 176.870 -0.169 0.000 1.014 252 L CA -0.486 54.239 54.840 -0.191 0.000 0.815 252 L CB 1.704 43.653 42.059 -0.183 0.000 1.247 252 L HN 0.515 nan 8.230 nan 0.000 0.421 253 L N 4.066 125.064 121.223 -0.375 0.000 2.377 253 L HA 0.537 4.877 4.340 0.000 0.000 0.270 253 L C -1.256 175.350 176.870 -0.440 0.000 0.991 253 L CA 0.132 54.819 54.840 -0.255 0.000 0.851 253 L CB 0.765 42.728 42.059 -0.160 0.000 1.218 253 L HN 0.200 nan 8.230 nan 0.000 0.420 254 F N 5.490 125.350 119.950 -0.151 0.000 2.404 254 F HA 0.596 5.123 4.527 0.000 0.000 0.339 254 F C 0.195 175.645 175.800 -0.584 0.000 1.105 254 F CA -0.357 57.488 58.000 -0.258 0.000 1.087 254 F CB 1.266 40.228 39.000 -0.064 0.000 1.143 254 F HN 0.217 nan 8.300 nan 0.000 0.491 255 I N 2.674 123.044 120.570 -0.333 0.000 2.468 255 I HA 0.212 4.383 4.170 0.000 0.000 0.284 255 I C -1.353 174.605 176.117 -0.264 0.000 1.038 255 I CA -0.475 60.578 61.300 -0.412 0.000 1.083 255 I CB 1.708 39.538 38.000 -0.283 0.000 1.223 255 I HN 0.429 nan 8.210 nan 0.000 0.443 256 D N 6.488 126.727 120.400 -0.267 0.000 2.462 256 D HA 0.281 4.921 4.640 0.000 0.000 0.245 256 D C -1.234 175.088 176.300 0.036 0.000 1.122 256 D CA -0.183 53.816 54.000 -0.003 0.000 0.864 256 D CB 1.163 42.083 40.800 0.200 0.000 1.098 256 D HN 0.397 nan 8.370 nan 0.000 0.541 257 N N 4.325 123.051 118.700 0.043 0.000 2.352 257 N HA 0.136 4.877 4.740 0.000 0.000 0.291 257 N C 0.500 176.037 175.510 0.045 0.000 1.040 257 N CA -0.507 52.574 53.050 0.052 0.000 0.864 257 N CB 1.619 40.183 38.487 0.129 0.000 1.440 257 N HN 0.327 nan 8.380 nan 0.000 0.483 258 I N 3.929 124.495 120.570 -0.007 0.000 2.567 258 I HA -0.091 4.079 4.170 0.000 0.000 0.257 258 I C 1.683 177.866 176.117 0.110 0.000 1.184 258 I CA 0.811 62.106 61.300 -0.008 0.000 1.451 258 I CB -0.380 37.551 38.000 -0.116 0.000 1.089 258 I HN 0.623 nan 8.210 nan 0.000 0.441 259 F N 1.586 121.550 119.950 0.023 0.000 2.154 259 F HA -0.253 4.274 4.527 0.000 0.000 0.301 259 F C 2.340 178.211 175.800 0.119 0.000 1.087 259 F CA 1.606 59.658 58.000 0.087 0.000 1.274 259 F CB -0.416 38.672 39.000 0.147 0.000 1.009 259 F HN -0.008 nan 8.300 nan 0.000 0.485 260 R N 0.004 120.437 120.500 -0.112 0.000 2.152 260 R HA -0.211 4.129 4.340 0.000 0.000 0.232 260 R C 2.243 178.435 176.300 -0.180 0.000 1.117 260 R CA 1.538 57.509 56.100 -0.216 0.000 0.981 260 R CB -1.722 28.564 30.300 -0.023 0.000 0.870 260 R HN 0.528 nan 8.270 nan 0.000 0.451 261 F N 1.751 121.582 119.950 -0.197 0.000 2.134 261 F HA -0.178 4.349 4.527 0.000 0.000 0.299 261 F C 1.970 177.672 175.800 -0.163 0.000 1.097 261 F CA 1.666 59.577 58.000 -0.149 0.000 1.264 261 F CB -0.418 38.510 39.000 -0.119 0.000 1.001 261 F HN -0.151 nan 8.300 nan 0.000 0.479 262 T N -0.005 114.302 114.554 -0.411 0.000 2.857 262 T HA -0.190 4.160 4.350 0.000 0.000 0.266 262 T C 1.859 176.341 174.700 -0.363 0.000 1.048 262 T CA 1.441 63.266 62.100 -0.459 0.000 1.139 262 T CB -0.282 68.478 68.868 -0.180 0.000 0.874 262 T HN 0.461 nan 8.240 nan 0.000 0.455 263 Q N 0.443 119.934 119.800 -0.515 0.000 2.119 263 Q HA -0.012 4.328 4.340 0.000 0.000 0.201 263 Q C 2.461 178.319 176.000 -0.237 0.000 0.972 263 Q CA 1.218 56.789 55.803 -0.387 0.000 0.847 263 Q CB -0.225 28.164 28.738 -0.581 0.000 0.903 263 Q HN 0.525 nan 8.270 nan 0.000 0.433 264 A N 0.457 123.129 122.820 -0.247 0.000 1.933 264 A HA -0.118 4.202 4.320 0.000 0.000 0.218 264 A C 2.230 179.704 177.584 -0.183 0.000 1.175 264 A CA 1.559 53.492 52.037 -0.174 0.000 0.628 264 A CB -1.361 17.552 19.000 -0.145 0.000 0.814 264 A HN 0.597 nan 8.150 nan 0.000 0.444 265 G N 0.237 108.870 108.800 -0.278 0.000 2.491 265 G HA2 -0.320 3.640 3.960 0.000 0.000 0.218 265 G HA3 -0.320 3.640 3.960 0.000 0.000 0.218 265 G C 2.024 176.850 174.900 -0.123 0.000 1.180 265 G CA 2.156 47.110 45.100 -0.245 0.000 0.774 265 G HN 0.958 nan 8.290 nan 0.000 0.562 266 S N 0.228 115.875 115.700 -0.088 0.000 2.428 266 S HA -0.004 4.466 4.470 0.000 0.000 0.230 266 S C 1.969 176.520 174.600 -0.082 0.000 1.014 266 S CA 1.531 59.696 58.200 -0.058 0.000 0.957 266 S CB -0.258 62.886 63.200 -0.094 0.000 0.784 266 S HN 0.572 nan 8.310 nan 0.000 0.499 267 E N 0.817 120.964 120.200 -0.089 0.000 2.118 267 E HA -0.116 4.234 4.350 0.000 0.000 0.195 267 E C 2.049 178.617 176.600 -0.053 0.000 0.992 267 E CA 1.697 58.055 56.400 -0.070 0.000 0.804 267 E CB -0.266 29.392 29.700 -0.069 0.000 0.741 267 E HN 0.710 nan 8.360 nan 0.000 0.458 268 V N -2.713 117.169 119.914 -0.053 0.000 3.650 268 V HA 0.123 4.243 4.120 0.000 0.000 0.271 268 V C 1.945 178.022 176.094 -0.028 0.000 1.281 268 V CA 0.728 63.006 62.300 -0.036 0.000 1.120 268 V CB 0.747 32.550 31.823 -0.034 0.000 0.856 268 V HN 0.028 nan 8.190 nan 0.000 0.443 269 S N 1.143 116.823 115.700 -0.032 0.000 2.382 269 S HA -0.080 4.390 4.470 0.000 0.000 0.228 269 S C 2.155 176.748 174.600 -0.012 0.000 1.027 269 S CA 1.867 60.056 58.200 -0.019 0.000 0.991 269 S CB -0.299 62.893 63.200 -0.014 0.000 0.823 269 S HN 0.919 nan 8.310 nan 0.000 0.469 270 A N 1.391 124.202 122.820 -0.016 0.000 1.873 270 A HA 0.089 4.409 4.320 0.000 0.000 0.215 270 A C 2.089 179.669 177.584 -0.007 0.000 1.186 270 A CA 1.226 53.256 52.037 -0.011 0.000 0.616 270 A CB -0.767 18.224 19.000 -0.015 0.000 0.823 270 A HN 0.554 nan 8.150 nan 0.000 0.442 271 L N -0.535 120.683 121.223 -0.009 0.000 2.191 271 L HA -0.137 4.203 4.340 0.000 0.000 0.212 271 L C 2.175 179.045 176.870 0.001 0.000 1.103 271 L CA 0.730 55.567 54.840 -0.005 0.000 0.769 271 L CB -0.572 41.484 42.059 -0.006 0.000 0.908 271 L HN 0.331 nan 8.230 nan 0.000 0.438 272 L N 0.003 121.225 121.223 -0.001 0.000 2.551 272 L HA 0.011 4.352 4.340 0.000 0.000 0.228 272 L C 1.440 178.314 176.870 0.007 0.000 1.153 272 L CA 0.677 55.519 54.840 0.004 0.000 0.851 272 L CB -0.539 41.520 42.059 0.001 0.000 0.959 272 L HN 0.557 nan 8.230 nan 0.000 0.451 273 G N 0.399 109.202 108.800 0.005 0.000 2.132 273 G HA2 -0.269 3.691 3.960 0.000 0.000 0.228 273 G HA3 -0.269 3.691 3.960 0.000 0.000 0.228 273 G C 0.071 174.975 174.900 0.007 0.000 1.000 273 G CA -0.274 44.830 45.100 0.006 0.000 0.693 273 G HN 0.275 nan 8.290 nan 0.000 0.515 274 R N -0.280 120.223 120.500 0.005 0.000 2.410 274 R HA 0.617 4.957 4.340 0.000 0.000 0.288 274 R C 1.120 177.425 176.300 0.009 0.000 1.051 274 R CA -0.616 55.489 56.100 0.008 0.000 1.021 274 R CB 0.688 30.993 30.300 0.009 0.000 1.032 274 R HN 0.325 nan 8.270 nan 0.000 0.481 275 I N 5.770 126.347 120.570 0.011 0.000 2.581 275 I HA 0.066 4.236 4.170 0.000 0.000 0.285 275 I C -1.511 174.617 176.117 0.018 0.000 1.129 275 I CA -1.546 59.761 61.300 0.013 0.000 1.397 275 I CB 0.295 38.303 38.000 0.013 0.000 1.399 275 I HN 0.341 nan 8.210 nan 0.000 0.537 276 P HA -0.033 nan 4.420 nan 0.000 0.266 276 P C -0.161 177.163 177.300 0.040 0.000 1.193 276 P CA 0.067 63.182 63.100 0.025 0.000 0.770 276 P CB 0.943 32.651 31.700 0.013 0.000 0.836 277 S N 1.498 117.237 115.700 0.065 0.000 2.590 277 S HA 0.612 5.082 4.470 0.000 0.000 0.282 277 S C 0.017 174.675 174.600 0.096 0.000 1.136 277 S CA -0.306 57.941 58.200 0.078 0.000 1.030 277 S CB 0.299 63.553 63.200 0.091 0.000 1.195 277 S HN 0.600 nan 8.310 nan 0.000 0.506 278 A N 0.241 123.127 122.820 0.110 0.000 2.498 278 A HA 0.465 4.785 4.320 0.000 0.000 0.239 278 A C 0.988 178.681 177.584 0.182 0.000 1.068 278 A CA 0.285 52.392 52.037 0.117 0.000 0.766 278 A CB -0.720 18.341 19.000 0.102 0.000 1.003 278 A HN 1.709 nan 8.150 nan 0.000 0.497 279 V N 0.903 120.892 119.914 0.123 0.000 3.191 279 V HA -0.301 3.819 4.120 0.000 0.000 0.181 279 V C 1.711 177.791 176.094 -0.024 0.000 0.444 279 V CA 1.597 63.956 62.300 0.099 0.000 1.114 279 V CB -2.479 29.472 31.823 0.212 0.000 1.275 279 V HN 2.934 nan 8.190 nan 0.000 1.153 280 G N -2.606 106.189 108.800 -0.009 0.000 2.159 280 G HA2 -0.336 3.624 3.960 0.000 0.000 0.256 280 G HA3 -0.336 3.624 3.960 0.000 0.000 0.256 280 G C -0.159 174.674 174.900 -0.112 0.000 0.977 280 G CA 0.363 45.417 45.100 -0.077 0.000 0.652 280 G HN 0.906 nan 8.290 nan 0.000 0.531 281 Y N 1.694 122.009 120.300 0.026 0.000 2.314 281 Y HA 0.400 4.950 4.550 0.000 0.000 0.334 281 Y C 1.420 177.321 175.900 0.001 0.000 1.266 281 Y CA -0.097 58.012 58.100 0.014 0.000 1.391 281 Y CB 0.513 38.991 38.460 0.030 0.000 1.306 281 Y HN 0.400 nan 8.280 nan 0.000 0.558 282 Q N 2.896 122.804 119.800 0.180 0.000 2.283 282 Q HA -0.017 4.323 4.340 0.000 0.000 0.301 282 Q C -2.324 173.725 176.000 0.081 0.000 1.063 282 Q CA -1.190 54.664 55.803 0.084 0.000 0.952 282 Q CB 0.461 29.222 28.738 0.038 0.000 1.166 282 Q HN 0.419 nan 8.270 nan 0.000 0.381 283 P HA -0.136 nan 4.420 nan 0.000 0.217 283 P C 0.985 178.307 177.300 0.037 0.000 1.148 283 P CA 1.935 65.062 63.100 0.045 0.000 0.828 283 P CB -0.110 31.610 31.700 0.032 0.000 0.783 284 T N -3.839 110.732 114.554 0.028 0.000 3.380 284 T HA 0.106 4.456 4.350 0.000 0.000 0.250 284 T C 1.445 176.160 174.700 0.026 0.000 1.082 284 T CA -0.191 61.923 62.100 0.024 0.000 0.968 284 T CB -1.163 67.714 68.868 0.015 0.000 1.027 284 T HN -0.008 nan 8.240 nan 0.000 0.575 285 L N 0.865 122.103 121.223 0.024 0.000 1.989 285 L HA -0.035 4.305 4.340 0.000 0.000 0.211 285 L C 2.859 179.752 176.870 0.039 0.000 1.071 285 L CA 1.930 56.773 54.840 0.005 0.000 0.749 285 L CB -0.777 41.262 42.059 -0.034 0.000 0.890 285 L HN 0.405 nan 8.230 nan 0.000 0.431 286 A N -0.664 122.187 122.820 0.052 0.000 1.877 286 A HA -0.230 4.090 4.320 0.000 0.000 0.216 286 A C 2.331 179.978 177.584 0.105 0.000 1.186 286 A CA 2.436 54.527 52.037 0.090 0.000 0.620 286 A CB -1.274 17.773 19.000 0.079 0.000 0.822 286 A HN 0.632 nan 8.150 nan 0.000 0.443 287 T N -2.063 112.538 114.554 0.079 0.000 2.857 287 T HA -0.116 4.234 4.350 0.000 0.000 0.266 287 T C 1.354 176.106 174.700 0.087 0.000 1.048 287 T CA 1.324 63.470 62.100 0.077 0.000 1.139 287 T CB -0.513 68.387 68.868 0.054 0.000 0.874 287 T HN 0.353 nan 8.240 nan 0.000 0.455 288 D N 1.097 121.556 120.400 0.098 0.000 2.133 288 D HA -0.093 4.547 4.640 0.000 0.000 0.195 288 D C 1.920 178.373 176.300 0.254 0.000 0.997 288 D CA 1.114 55.215 54.000 0.169 0.000 0.840 288 D CB -0.388 40.484 40.800 0.121 0.000 0.947 288 D HN 0.373 nan 8.370 nan 0.000 0.452 289 M N 0.071 119.788 119.600 0.195 0.000 2.254 289 M HA -0.032 4.448 4.480 0.000 0.000 0.265 289 M C 1.942 178.155 176.300 -0.146 0.000 1.066 289 M CA 1.482 56.828 55.300 0.078 0.000 1.123 289 M CB 0.059 32.690 32.600 0.053 0.000 1.388 289 M HN 0.028 nan 8.290 nan 0.000 0.425 290 G N 0.134 108.928 108.800 -0.010 0.000 2.396 290 G HA2 -0.127 3.833 3.960 0.000 0.000 0.214 290 G HA3 -0.127 3.833 3.960 0.000 0.000 0.214 290 G C 1.346 176.240 174.900 -0.010 0.000 1.166 290 G CA 0.222 45.338 45.100 0.027 0.000 0.793 290 G HN 0.394 nan 8.290 nan 0.000 0.533 291 L N -0.228 121.005 121.223 0.016 0.000 2.187 291 L HA -0.053 4.287 4.340 0.000 0.000 0.213 291 L C 2.598 179.444 176.870 -0.040 0.000 1.100 291 L CA 0.346 55.195 54.840 0.015 0.000 0.765 291 L CB -0.219 41.872 42.059 0.054 0.000 0.904 291 L HN 0.231 nan 8.230 nan 0.000 0.437 292 L N -1.050 120.104 121.223 -0.115 0.000 2.062 292 L HA -0.102 4.239 4.340 0.000 0.000 0.202 292 L C 2.505 179.226 176.870 -0.248 0.000 1.079 292 L CA 1.675 56.364 54.840 -0.252 0.000 0.755 292 L CB -0.806 40.926 42.059 -0.546 0.000 0.913 292 L HN 0.144 nan 8.230 nan 0.000 0.445 293 Q N -0.093 119.529 119.800 -0.297 0.000 2.119 293 Q HA -0.162 4.179 4.340 0.000 0.000 0.201 293 Q C 2.002 177.926 176.000 -0.125 0.000 0.972 293 Q CA 1.138 56.776 55.803 -0.274 0.000 0.847 293 Q CB -0.265 28.182 28.738 -0.484 0.000 0.903 293 Q HN 0.549 nan 8.270 nan 0.000 0.433 294 E N 0.660 120.820 120.200 -0.067 0.000 2.267 294 E HA -0.156 4.194 4.350 0.000 0.000 0.197 294 E C 1.922 178.509 176.600 -0.023 0.000 0.998 294 E CA 0.739 57.139 56.400 -0.000 0.000 0.830 294 E CB -0.059 29.661 29.700 0.033 0.000 0.751 294 E HN 0.335 nan 8.360 nan 0.000 0.491 295 R N 0.070 120.538 120.500 -0.054 0.000 2.093 295 R HA 0.097 4.437 4.340 0.000 0.000 0.224 295 R C 1.099 177.363 176.300 -0.060 0.000 1.101 295 R CA 0.349 56.417 56.100 -0.052 0.000 0.979 295 R CB -0.070 30.190 30.300 -0.066 0.000 0.877 295 R HN 0.096 nan 8.270 nan 0.000 0.441 296 I N 2.079 122.598 120.570 -0.086 0.000 2.455 296 I HA -0.015 4.155 4.170 0.000 0.000 0.303 296 I C 0.239 176.316 176.117 -0.066 0.000 1.180 296 I CA 0.429 61.675 61.300 -0.090 0.000 1.469 296 I CB -0.035 37.888 38.000 -0.129 0.000 1.480 296 I HN 0.045 nan 8.210 nan 0.000 0.669 297 T N 2.899 117.424 114.554 -0.048 0.000 2.739 297 T HA 0.386 4.736 4.350 0.000 0.000 0.303 297 T C -0.628 174.052 174.700 -0.033 0.000 1.389 297 T CA -0.374 61.704 62.100 -0.036 0.000 1.001 297 T CB 1.989 70.842 68.868 -0.025 0.000 1.436 297 T HN 0.270 nan 8.240 nan 0.000 0.500 298 T N 2.301 116.835 114.554 -0.032 0.000 2.794 298 T HA 0.695 5.045 4.350 0.000 0.000 0.280 298 T C -0.133 174.545 174.700 -0.037 0.000 0.987 298 T CA -0.460 61.622 62.100 -0.030 0.000 0.993 298 T CB 1.112 69.963 68.868 -0.028 0.000 0.939 298 T HN 0.899 nan 8.240 nan 0.000 0.449 299 T N -0.017 114.516 114.554 -0.035 0.000 2.864 299 T HA 0.484 4.834 4.350 0.000 0.000 0.289 299 T C 0.894 175.570 174.700 -0.039 0.000 1.082 299 T CA -0.998 61.077 62.100 -0.042 0.000 1.009 299 T CB 1.527 70.374 68.868 -0.036 0.000 1.234 299 T HN 0.339 nan 8.240 nan 0.000 0.526 300 K N 0.090 120.464 120.400 -0.043 0.000 2.360 300 K HA 0.010 4.330 4.320 0.000 0.000 0.201 300 K C 2.045 178.625 176.600 -0.034 0.000 1.046 300 K CA 1.064 57.328 56.287 -0.039 0.000 0.945 300 K CB -0.024 32.452 32.500 -0.040 0.000 0.750 300 K HN 0.472 nan 8.250 nan 0.000 0.464 301 K N -0.356 120.024 120.400 -0.034 0.000 2.076 301 K HA 0.040 4.360 4.320 0.000 0.000 0.204 301 K C 1.056 177.637 176.600 -0.032 0.000 1.051 301 K CA 0.943 57.210 56.287 -0.034 0.000 0.949 301 K CB 0.395 32.871 32.500 -0.039 0.000 0.726 301 K HN 0.208 nan 8.250 nan 0.000 0.443 302 G N 0.095 108.880 108.800 -0.026 0.000 2.488 302 G HA2 0.279 4.239 3.960 0.000 0.000 0.301 302 G HA3 0.279 4.239 3.960 0.000 0.000 0.301 302 G C -1.511 173.382 174.900 -0.011 0.000 1.339 302 G CA -0.531 44.559 45.100 -0.018 0.000 0.803 302 G HN 0.105 nan 8.290 nan 0.000 0.482 303 S N -1.890 113.810 115.700 -0.000 0.000 2.638 303 S HA 0.842 5.312 4.470 0.000 0.000 0.302 303 S C -1.251 173.356 174.600 0.012 0.000 1.096 303 S CA -0.806 57.395 58.200 0.002 0.000 0.953 303 S CB 2.156 65.359 63.200 0.005 0.000 1.107 303 S HN 1.278 nan 8.310 nan 0.000 0.503 304 V N 1.938 121.846 119.914 -0.009 0.000 2.532 304 V HA 0.419 4.539 4.120 0.000 0.000 0.294 304 V C -0.573 175.479 176.094 -0.071 0.000 1.036 304 V CA -0.517 61.764 62.300 -0.030 0.000 0.876 304 V CB 1.720 33.521 31.823 -0.036 0.000 1.012 304 V HN 1.068 nan 8.190 nan 0.000 0.432 305 T N 3.538 118.029 114.554 -0.104 0.000 2.771 305 T HA 0.481 4.831 4.350 0.000 0.000 0.291 305 T C 0.155 174.695 174.700 -0.267 0.000 0.954 305 T CA -0.199 61.805 62.100 -0.159 0.000 1.045 305 T CB 1.184 69.953 68.868 -0.164 0.000 0.917 305 T HN 0.790 nan 8.240 nan 0.000 0.484 306 S N 2.634 118.175 115.700 -0.265 0.000 2.502 306 S HA 0.644 5.114 4.470 0.000 0.000 0.304 306 S C -0.676 173.712 174.600 -0.353 0.000 1.097 306 S CA -0.733 57.261 58.200 -0.344 0.000 1.045 306 S CB 1.061 64.110 63.200 -0.252 0.000 1.019 306 S HN 0.404 nan 8.310 nan 0.000 0.481 307 V N 4.266 123.916 119.914 -0.440 0.000 2.427 307 V HA 0.512 4.632 4.120 0.000 0.000 0.286 307 V C -0.254 175.729 176.094 -0.185 0.000 1.034 307 V CA -0.505 61.639 62.300 -0.261 0.000 0.893 307 V CB 1.271 33.050 31.823 -0.074 0.000 0.982 307 V HN 0.954 nan 8.190 nan 0.000 0.452 308 Q N 2.587 122.278 119.800 -0.182 0.000 2.330 308 Q HA 0.719 5.059 4.340 0.000 0.000 0.269 308 Q C -0.440 175.456 176.000 -0.173 0.000 1.022 308 Q CA -0.547 55.147 55.803 -0.182 0.000 0.796 308 Q CB 2.407 31.012 28.738 -0.223 0.000 1.271 308 Q HN 0.920 nan 8.270 nan 0.000 0.450 309 A N 2.218 124.972 122.820 -0.111 0.000 2.366 309 A HA 0.543 4.863 4.320 0.000 0.000 0.272 309 A C -0.432 177.059 177.584 -0.155 0.000 1.135 309 A CA -0.360 51.623 52.037 -0.091 0.000 0.804 309 A CB 0.497 19.513 19.000 0.027 0.000 1.064 309 A HN 0.489 nan 8.150 nan 0.000 0.499 310 V N 3.750 123.496 119.914 -0.279 0.000 2.349 310 V HA 0.174 4.294 4.120 0.000 0.000 0.284 310 V C -0.525 175.463 176.094 -0.176 0.000 1.014 310 V CA -0.555 61.533 62.300 -0.353 0.000 0.826 310 V CB 0.519 31.714 31.823 -1.046 0.000 1.009 310 V HN 0.815 nan 8.190 nan 0.000 0.431 311 Y N 5.035 125.270 120.300 -0.108 0.000 2.497 311 Y HA 0.425 4.975 4.550 0.000 0.000 0.334 311 Y C -0.004 175.685 175.900 -0.352 0.000 1.199 311 Y CA 0.138 58.138 58.100 -0.167 0.000 1.425 311 Y CB 1.110 39.510 38.460 -0.100 0.000 1.291 311 Y HN 0.411 nan 8.280 nan 0.000 0.562 312 V N 8.474 127.774 119.914 -1.023 0.000 2.376 312 V HA 0.322 4.442 4.120 0.000 0.000 0.287 312 V C -2.398 173.108 176.094 -0.979 0.000 1.015 312 V CA -2.077 59.783 62.300 -0.734 0.000 0.834 312 V CB 1.237 32.872 31.823 -0.313 0.000 1.001 312 V HN 0.696 nan 8.190 nan 0.000 0.428 313 P HA 0.312 nan 4.420 nan 0.000 0.276 313 P C 0.516 177.726 177.300 -0.150 0.000 1.235 313 P CA 0.345 63.263 63.100 -0.303 0.000 0.772 313 P CB 1.131 32.784 31.700 -0.078 0.000 0.871 314 A N 3.706 126.485 122.820 -0.068 0.000 2.826 314 A HA -0.248 4.072 4.320 0.000 0.000 0.274 314 A C 0.774 178.322 177.584 -0.061 0.000 1.443 314 A CA 1.128 53.148 52.037 -0.028 0.000 0.833 314 A CB -2.672 16.332 19.000 0.007 0.000 1.023 314 A HN 0.600 nan 8.150 nan 0.000 0.600 315 D N -1.680 118.644 120.400 -0.126 0.000 2.911 315 D HA -0.184 4.457 4.640 0.000 0.000 0.227 315 D C -0.254 176.001 176.300 -0.074 0.000 1.164 315 D CA 2.111 56.045 54.000 -0.109 0.000 0.782 315 D CB -1.170 39.594 40.800 -0.061 0.000 1.094 315 D HN 0.966 nan 8.370 nan 0.000 0.425 316 D N 0.011 120.366 120.400 -0.075 0.000 2.443 316 D HA 0.280 4.920 4.640 0.000 0.000 0.221 316 D C 1.338 177.636 176.300 -0.003 0.000 1.097 316 D CA -0.477 53.507 54.000 -0.027 0.000 0.865 316 D CB 0.331 41.129 40.800 -0.003 0.000 1.034 316 D HN 0.057 nan 8.370 nan 0.000 0.511 317 L N 2.506 123.741 121.223 0.019 0.000 2.549 317 L HA -0.043 4.297 4.340 0.000 0.000 0.229 317 L C 2.088 179.023 176.870 0.108 0.000 1.158 317 L CA 1.253 56.146 54.840 0.088 0.000 0.842 317 L CB -0.325 41.780 42.059 0.077 0.000 0.952 317 L HN 0.515 nan 8.230 nan 0.000 0.452 318 T N -5.485 109.103 114.554 0.058 0.000 3.086 318 T HA 0.017 4.367 4.350 0.000 0.000 0.250 318 T C 0.530 175.276 174.700 0.076 0.000 1.074 318 T CA -0.475 61.659 62.100 0.057 0.000 0.988 318 T CB -0.346 68.537 68.868 0.024 0.000 0.988 318 T HN 0.155 nan 8.240 nan 0.000 0.530 319 D N 2.709 123.161 120.400 0.086 0.000 2.525 319 D HA 0.098 4.738 4.640 0.000 0.000 0.235 319 D C -1.327 175.023 176.300 0.084 0.000 1.137 319 D CA -1.434 52.638 54.000 0.120 0.000 0.868 319 D CB 1.027 41.907 40.800 0.134 0.000 1.180 319 D HN -0.035 nan 8.370 nan 0.000 0.465 320 P HA -0.275 nan 4.420 nan 0.000 0.218 320 P C 0.698 177.912 177.300 -0.143 0.000 1.152 320 P CA 2.036 65.078 63.100 -0.096 0.000 0.857 320 P CB 0.048 31.615 31.700 -0.222 0.000 0.787 321 A N 0.067 122.770 122.820 -0.195 0.000 1.835 321 A HA -0.118 4.202 4.320 0.000 0.000 0.215 321 A C -0.056 177.602 177.584 0.124 0.000 1.199 321 A CA 2.262 54.292 52.037 -0.012 0.000 0.615 321 A CB -2.249 16.934 19.000 0.305 0.000 0.838 321 A HN 0.215 nan 8.150 nan 0.000 0.444 322 P HA -0.088 nan 4.420 nan 0.000 0.220 322 P C 1.512 178.986 177.300 0.291 0.000 1.148 322 P CA 1.797 65.022 63.100 0.209 0.000 0.803 322 P CB -0.149 31.690 31.700 0.233 0.000 0.782 323 A N 0.333 123.320 122.820 0.277 0.000 1.877 323 A HA -0.136 4.184 4.320 0.000 0.000 0.216 323 A C 2.283 180.064 177.584 0.328 0.000 1.186 323 A CA 2.386 54.633 52.037 0.351 0.000 0.620 323 A CB -1.942 17.163 19.000 0.175 0.000 0.822 323 A HN 0.190 nan 8.150 nan 0.000 0.443 324 T N -0.137 114.537 114.554 0.199 0.000 3.007 324 T HA -0.065 4.285 4.350 0.000 0.000 0.270 324 T C 1.743 176.600 174.700 0.262 0.000 1.107 324 T CA 1.685 63.894 62.100 0.182 0.000 1.118 324 T CB -0.360 68.584 68.868 0.126 0.000 0.889 324 T HN 0.569 nan 8.240 nan 0.000 0.506 325 T N 1.486 116.189 114.554 0.250 0.000 2.942 325 T HA 0.087 4.437 4.350 0.000 0.000 0.265 325 T C 1.482 176.334 174.700 0.253 0.000 1.062 325 T CA 0.437 62.685 62.100 0.246 0.000 1.139 325 T CB -0.405 68.499 68.868 0.060 0.000 0.883 325 T HN 0.290 nan 8.240 nan 0.000 0.468 326 F N 2.330 122.437 119.950 0.261 0.000 2.087 326 F HA -0.175 4.352 4.527 0.000 0.000 0.299 326 F C 2.714 178.542 175.800 0.047 0.000 1.100 326 F CA 1.227 59.308 58.000 0.136 0.000 1.226 326 F CB -0.917 38.071 39.000 -0.019 0.000 0.983 326 F HN 0.153 nan 8.300 nan 0.000 0.479 327 A N -1.261 121.638 122.820 0.131 0.000 2.070 327 A HA -0.189 4.131 4.320 0.000 0.000 0.220 327 A C 1.681 179.170 177.584 -0.159 0.000 1.159 327 A CA 1.468 53.463 52.037 -0.069 0.000 0.656 327 A CB -1.010 17.875 19.000 -0.190 0.000 0.800 327 A HN 0.530 nan 8.150 nan 0.000 0.453 328 H N -1.245 117.869 119.070 0.074 0.000 2.547 328 H HA 0.289 4.845 4.556 0.000 0.000 0.266 328 H C -0.440 174.897 175.328 0.016 0.000 0.988 328 H CA 0.396 56.462 56.048 0.029 0.000 1.147 328 H CB -0.084 29.679 29.762 0.001 0.000 1.365 328 H HN 0.336 nan 8.280 nan 0.000 0.589 329 L N 0.823 122.116 121.223 0.116 0.000 2.356 329 L HA 0.198 4.538 4.340 0.000 0.000 0.277 329 L C 0.741 177.648 176.870 0.062 0.000 0.996 329 L CA -0.557 54.331 54.840 0.080 0.000 0.822 329 L CB 2.463 44.585 42.059 0.105 0.000 1.256 329 L HN -0.106 nan 8.230 nan 0.000 0.413 330 D N 1.931 122.348 120.400 0.028 0.000 2.194 330 D HA 0.061 4.701 4.640 0.000 0.000 0.204 330 D C 0.518 176.846 176.300 0.046 0.000 0.964 330 D CA 0.821 54.838 54.000 0.029 0.000 0.846 330 D CB 0.689 41.497 40.800 0.013 0.000 0.962 330 D HN 0.550 nan 8.370 nan 0.000 0.490 331 A N 0.388 123.228 122.820 0.033 0.000 2.435 331 A HA 0.577 4.897 4.320 0.000 0.000 0.304 331 A C -0.544 177.077 177.584 0.062 0.000 1.064 331 A CA -0.574 51.508 52.037 0.075 0.000 0.727 331 A CB 1.794 20.877 19.000 0.139 0.000 1.284 331 A HN 0.001 nan 8.150 nan 0.000 0.415 332 T N -0.554 114.075 114.554 0.125 0.000 2.965 332 T HA 0.621 4.971 4.350 0.000 0.000 0.306 332 T C -0.373 174.419 174.700 0.153 0.000 0.991 332 T CA -0.285 61.910 62.100 0.160 0.000 1.001 332 T CB 0.643 69.626 68.868 0.192 0.000 0.984 332 T HN 0.998 nan 8.240 nan 0.000 0.446 333 T N 0.799 115.438 114.554 0.141 0.000 2.767 333 T HA 0.620 4.970 4.350 0.000 0.000 0.288 333 T C -0.112 174.645 174.700 0.095 0.000 0.963 333 T CA -0.787 61.368 62.100 0.092 0.000 1.019 333 T CB 1.236 70.111 68.868 0.011 0.000 0.923 333 T HN 0.563 nan 8.240 nan 0.000 0.468 334 V N 5.033 124.991 119.914 0.073 0.000 2.350 334 V HA 0.322 4.442 4.120 0.000 0.000 0.285 334 V C 0.022 176.151 176.094 0.058 0.000 1.014 334 V CA -0.880 61.468 62.300 0.080 0.000 0.831 334 V CB 0.920 32.754 31.823 0.019 0.000 1.000 334 V HN 0.820 nan 8.190 nan 0.000 0.433 335 L N 4.053 125.319 121.223 0.071 0.000 2.331 335 L HA 0.500 4.840 4.340 0.000 0.000 0.278 335 L C 0.592 177.482 176.870 0.034 0.000 1.106 335 L CA 0.246 55.123 54.840 0.061 0.000 0.824 335 L CB 1.299 43.410 42.059 0.086 0.000 1.142 335 L HN 0.648 nan 8.230 nan 0.000 0.443 336 S N 3.093 118.798 115.700 0.009 0.000 2.456 336 S HA 0.289 4.759 4.470 0.000 0.000 0.316 336 S C 0.985 175.569 174.600 -0.028 0.000 1.089 336 S CA -0.795 57.397 58.200 -0.013 0.000 1.101 336 S CB 1.352 64.537 63.200 -0.025 0.000 0.995 336 S HN 0.754 nan 8.310 nan 0.000 0.468 337 R N 3.628 124.116 120.500 -0.020 0.000 2.119 337 R HA -0.135 4.205 4.340 0.000 0.000 0.246 337 R C 2.062 178.339 176.300 -0.039 0.000 1.146 337 R CA 2.313 58.401 56.100 -0.021 0.000 0.962 337 R CB -1.129 29.164 30.300 -0.011 0.000 0.863 337 R HN 0.858 nan 8.270 nan 0.000 0.442 338 G N 0.978 109.754 108.800 -0.040 0.000 2.459 338 G HA2 -0.264 3.696 3.960 0.000 0.000 0.217 338 G HA3 -0.264 3.696 3.960 0.000 0.000 0.217 338 G C 1.479 176.343 174.900 -0.061 0.000 1.183 338 G CA 1.157 46.231 45.100 -0.044 0.000 0.776 338 G HN 0.331 nan 8.290 nan 0.000 0.552 339 I N 1.775 122.302 120.570 -0.071 0.000 2.286 339 I HA -0.202 3.968 4.170 0.000 0.000 0.248 339 I C 3.155 179.159 176.117 -0.188 0.000 1.115 339 I CA 1.470 62.715 61.300 -0.093 0.000 1.392 339 I CB -0.230 37.727 38.000 -0.071 0.000 1.065 339 I HN 0.371 nan 8.210 nan 0.000 0.418 340 S N 0.419 115.982 115.700 -0.228 0.000 2.402 340 S HA -0.185 4.285 4.470 0.000 0.000 0.229 340 S C 1.754 176.202 174.600 -0.252 0.000 1.021 340 S CA 1.059 59.006 58.200 -0.423 0.000 0.974 340 S CB -0.421 62.645 63.200 -0.225 0.000 0.800 340 S HN 0.502 nan 8.310 nan 0.000 0.484 341 E N 0.924 121.063 120.200 -0.102 0.000 2.208 341 E HA 0.102 4.452 4.350 0.000 0.000 0.193 341 E C 1.511 178.098 176.600 -0.022 0.000 0.988 341 E CA 0.655 57.038 56.400 -0.029 0.000 0.828 341 E CB -0.266 29.427 29.700 -0.012 0.000 0.763 341 E HN 0.536 nan 8.360 nan 0.000 0.478 342 L N 0.037 121.231 121.223 -0.048 0.000 2.650 342 L HA 0.053 4.393 4.340 0.000 0.000 0.235 342 L C 1.352 178.233 176.870 0.018 0.000 1.149 342 L CA 0.374 55.204 54.840 -0.017 0.000 0.887 342 L CB -0.334 41.720 42.059 -0.008 0.000 1.021 342 L HN 0.301 nan 8.230 nan 0.000 0.441 343 G N 0.347 109.157 108.800 0.017 0.000 2.168 343 G HA2 -0.277 3.683 3.960 0.000 0.000 0.263 343 G HA3 -0.277 3.683 3.960 0.000 0.000 0.263 343 G C 0.396 175.416 174.900 0.201 0.000 0.977 343 G CA -0.231 44.980 45.100 0.184 0.000 0.659 343 G HN 0.239 nan 8.290 nan 0.000 0.533 344 I N 0.975 121.517 120.570 -0.047 0.000 2.363 344 I HA 0.376 4.546 4.170 0.000 0.000 0.292 344 I C -0.036 175.882 176.117 -0.332 0.000 1.075 344 I CA -0.085 61.189 61.300 -0.043 0.000 1.333 344 I CB -0.343 37.654 38.000 -0.005 0.000 1.415 344 I HN 0.061 nan 8.210 nan 0.000 0.502 345 Y N 7.270 127.542 120.300 -0.047 0.000 2.462 345 Y HA 0.410 4.960 4.550 0.000 0.000 0.346 345 Y C -2.047 173.709 175.900 -0.240 0.000 0.976 345 Y CA -2.592 55.423 58.100 -0.141 0.000 1.044 345 Y CB 1.862 40.214 38.460 -0.180 0.000 1.230 345 Y HN 0.417 nan 8.280 nan 0.000 0.455 346 P HA 0.048 nan 4.420 nan 0.000 0.269 346 P C -0.401 176.932 177.300 0.055 0.000 1.209 346 P CA -0.095 62.998 63.100 -0.012 0.000 0.776 346 P CB 0.898 32.655 31.700 0.095 0.000 0.876 347 A N 3.592 126.432 122.820 0.034 0.000 2.900 347 A HA 0.199 4.519 4.320 0.000 0.000 0.246 347 A C 0.437 178.038 177.584 0.028 0.000 1.725 347 A CA -0.171 51.823 52.037 -0.071 0.000 1.400 347 A CB -1.290 17.627 19.000 -0.139 0.000 0.973 347 A HN 0.369 nan 8.150 nan 0.000 0.635 348 V N 1.286 121.246 119.914 0.077 0.000 2.461 348 V HA 0.106 4.226 4.120 0.000 0.000 0.275 348 V C 0.239 176.361 176.094 0.047 0.000 1.047 348 V CA -0.693 61.665 62.300 0.096 0.000 0.955 348 V CB 1.442 33.367 31.823 0.171 0.000 0.988 348 V HN 0.613 nan 8.190 nan 0.000 0.471 349 D N 7.841 128.258 120.400 0.029 0.000 2.338 349 D HA 0.179 4.819 4.640 0.000 0.000 0.255 349 D C -1.421 174.882 176.300 0.004 0.000 1.237 349 D CA -1.914 52.089 54.000 0.006 0.000 0.883 349 D CB 1.889 42.683 40.800 -0.009 0.000 1.087 349 D HN 0.268 nan 8.370 nan 0.000 0.485 350 P HA -0.014 nan 4.420 nan 0.000 0.233 350 P C 1.208 178.491 177.300 -0.028 0.000 1.167 350 P CA 0.481 63.573 63.100 -0.013 0.000 0.770 350 P CB 0.478 32.170 31.700 -0.013 0.000 0.837 351 L N -1.281 119.924 121.223 -0.029 0.000 2.664 351 L HA 0.231 4.571 4.340 0.000 0.000 0.233 351 L C 1.538 178.377 176.870 -0.051 0.000 1.113 351 L CA 0.414 55.229 54.840 -0.042 0.000 0.896 351 L CB 0.053 42.087 42.059 -0.042 0.000 1.163 351 L HN -0.143 nan 8.230 nan 0.000 0.497 352 D N -0.850 119.522 120.400 -0.047 0.000 2.441 352 D HA 0.080 4.720 4.640 0.000 0.000 0.210 352 D C 0.399 176.673 176.300 -0.043 0.000 1.102 352 D CA 0.214 54.175 54.000 -0.064 0.000 0.840 352 D CB 0.674 41.430 40.800 -0.074 0.000 0.990 352 D HN -0.058 nan 8.370 nan 0.000 0.505 353 S N 0.902 116.595 115.700 -0.011 0.000 2.565 353 S HA 0.415 4.885 4.470 0.000 0.000 0.274 353 S C 0.054 174.666 174.600 0.020 0.000 1.309 353 S CA -0.376 57.839 58.200 0.024 0.000 1.043 353 S CB 1.585 64.815 63.200 0.051 0.000 0.939 353 S HN -0.008 nan 8.310 nan 0.000 0.504 354 K N 1.088 121.516 120.400 0.047 0.000 2.480 354 K HA 0.706 5.026 4.320 0.000 0.000 0.258 354 K C -0.848 175.798 176.600 0.076 0.000 0.990 354 K CA -0.750 55.560 56.287 0.039 0.000 0.857 354 K CB 2.011 34.520 32.500 0.016 0.000 1.384 354 K HN 0.544 nan 8.250 nan 0.000 0.446 355 S N 0.181 115.917 115.700 0.060 0.000 2.562 355 S HA 0.268 4.738 4.470 0.000 0.000 0.274 355 S C 0.302 174.932 174.600 0.050 0.000 1.160 355 S CA -0.636 57.609 58.200 0.075 0.000 0.933 355 S CB 1.264 64.521 63.200 0.095 0.000 1.100 355 S HN 0.626 nan 8.310 nan 0.000 0.468 356 R N 2.550 123.079 120.500 0.048 0.000 2.139 356 R HA -0.028 4.312 4.340 0.000 0.000 0.243 356 R C 1.272 177.592 176.300 0.034 0.000 1.145 356 R CA 1.538 57.659 56.100 0.036 0.000 0.976 356 R CB -0.369 29.950 30.300 0.030 0.000 0.866 356 R HN 0.645 nan 8.270 nan 0.000 0.449 357 L N 0.774 122.019 121.223 0.036 0.000 2.591 357 L HA 0.039 4.379 4.340 0.000 0.000 0.228 357 L C 0.464 177.337 176.870 0.004 0.000 1.133 357 L CA -0.267 54.587 54.840 0.023 0.000 0.880 357 L CB 0.017 42.095 42.059 0.031 0.000 1.033 357 L HN 0.092 nan 8.230 nan 0.000 0.450 358 L N 1.554 122.786 121.223 0.015 0.000 2.404 358 L HA 0.243 4.583 4.340 0.000 0.000 0.277 358 L C -0.643 176.338 176.870 0.184 0.000 1.184 358 L CA 0.666 55.517 54.840 0.019 0.000 1.013 358 L CB -0.341 41.699 42.059 -0.032 0.000 1.318 358 L HN -0.013 nan 8.230 nan 0.000 0.435 359 D N 2.461 122.962 120.400 0.167 0.000 2.861 359 D HA 0.259 4.899 4.640 0.000 0.000 0.216 359 D C 0.627 176.911 176.300 -0.028 0.000 1.323 359 D CA 0.228 54.260 54.000 0.055 0.000 0.917 359 D CB 2.063 42.864 40.800 0.002 0.000 1.582 359 D HN 0.380 nan 8.370 nan 0.000 0.576 360 A N 3.450 126.110 122.820 -0.265 0.000 1.903 360 A HA -0.165 4.155 4.320 0.000 0.000 0.219 360 A C 2.102 179.637 177.584 -0.082 0.000 1.191 360 A CA 2.550 54.476 52.037 -0.185 0.000 0.638 360 A CB -0.747 18.048 19.000 -0.342 0.000 0.823 360 A HN 0.745 nan 8.150 nan 0.000 0.451 361 A N -1.382 121.379 122.820 -0.098 0.000 2.139 361 A HA 0.042 4.363 4.320 0.000 0.000 0.221 361 A C 1.983 179.553 177.584 -0.023 0.000 1.159 361 A CA 2.077 54.083 52.037 -0.053 0.000 0.662 361 A CB -0.475 18.493 19.000 -0.054 0.000 0.796 361 A HN 0.543 nan 8.150 nan 0.000 0.463 362 V N -1.489 118.415 119.914 -0.017 0.000 3.151 362 V HA -0.024 4.096 4.120 0.000 0.000 0.241 362 V C 1.993 178.094 176.094 0.013 0.000 1.173 362 V CA 1.241 63.540 62.300 -0.000 0.000 1.154 362 V CB 0.647 32.469 31.823 -0.002 0.000 0.898 362 V HN 0.511 nan 8.190 nan 0.000 0.473 363 V N -1.927 117.991 119.914 0.005 0.000 3.528 363 V HA 0.772 4.892 4.120 0.000 0.000 0.294 363 V C 0.792 176.954 176.094 0.113 0.000 1.404 363 V CA 0.134 62.451 62.300 0.027 0.000 1.065 363 V CB -0.418 31.267 31.823 -0.230 0.000 0.904 363 V HN 0.793 nan 8.190 nan 0.000 0.435 364 G N 0.573 109.419 108.800 0.077 0.000 2.721 364 G HA2 -0.161 3.799 3.960 0.000 0.000 0.686 364 G HA3 -0.161 3.799 3.960 0.000 0.000 0.686 364 G C 0.013 174.985 174.900 0.120 0.000 1.236 364 G CA 0.145 45.297 45.100 0.087 0.000 0.786 364 G HN 0.172 nan 8.290 nan 0.000 0.616 365 Q N 0.219 120.071 119.800 0.086 0.000 2.077 365 Q HA -0.149 4.191 4.340 0.000 0.000 0.206 365 Q C 2.413 178.513 176.000 0.166 0.000 0.989 365 Q CA 2.336 58.203 55.803 0.107 0.000 0.853 365 Q CB -0.220 28.556 28.738 0.062 0.000 0.907 365 Q HN 0.897 nan 8.270 nan 0.000 0.418 366 E N -0.415 119.869 120.200 0.140 0.000 2.038 366 E HA -0.236 4.114 4.350 0.000 0.000 0.195 366 E C 2.004 178.719 176.600 0.191 0.000 1.000 366 E CA 1.203 57.686 56.400 0.139 0.000 0.803 366 E CB -0.167 29.595 29.700 0.103 0.000 0.750 366 E HN 0.553 nan 8.360 nan 0.000 0.448 367 H N -1.514 117.610 119.070 0.090 0.000 2.321 367 H HA -0.206 4.350 4.556 0.000 0.000 0.300 367 H C 2.131 177.507 175.328 0.080 0.000 1.087 367 H CA 1.566 57.659 56.048 0.075 0.000 1.319 367 H CB -0.080 29.723 29.762 0.068 0.000 1.379 367 H HN 0.257 nan 8.280 nan 0.000 0.501 368 Y N 1.725 122.091 120.300 0.109 0.000 2.053 368 Y HA -0.287 4.263 4.550 0.000 0.000 0.277 368 Y C 2.103 178.035 175.900 0.053 0.000 1.159 368 Y CA 2.185 60.297 58.100 0.021 0.000 1.125 368 Y CB -0.363 38.095 38.460 -0.004 0.000 0.969 368 Y HN 0.341 nan 8.280 nan 0.000 0.492 369 D N -0.903 119.616 120.400 0.199 0.000 2.178 369 D HA -0.160 4.480 4.640 0.000 0.000 0.201 369 D C 2.376 178.702 176.300 0.043 0.000 0.980 369 D CA 1.305 55.373 54.000 0.114 0.000 0.842 369 D CB -0.426 40.458 40.800 0.140 0.000 0.948 369 D HN 0.303 nan 8.370 nan 0.000 0.472 370 V N 1.194 121.150 119.914 0.070 0.000 2.323 370 V HA -0.196 3.924 4.120 0.000 0.000 0.244 370 V C 2.500 178.594 176.094 -0.001 0.000 1.041 370 V CA 1.683 64.020 62.300 0.062 0.000 1.025 370 V CB -0.713 31.168 31.823 0.096 0.000 0.656 370 V HN 0.183 nan 8.190 nan 0.000 0.451 371 A N -0.024 122.779 122.820 -0.027 0.000 1.892 371 A HA -0.250 4.070 4.320 0.000 0.000 0.218 371 A C 2.476 179.964 177.584 -0.160 0.000 1.188 371 A CA 2.574 54.543 52.037 -0.114 0.000 0.631 371 A CB -0.857 18.064 19.000 -0.132 0.000 0.822 371 A HN 0.549 nan 8.150 nan 0.000 0.447 372 S N -0.010 115.554 115.700 -0.226 0.000 2.353 372 S HA -0.196 4.275 4.470 0.000 0.000 0.222 372 S C 1.932 176.478 174.600 -0.090 0.000 1.035 372 S CA 1.790 59.865 58.200 -0.208 0.000 1.025 372 S CB -0.324 62.731 63.200 -0.242 0.000 0.902 372 S HN 0.643 nan 8.310 nan 0.000 0.440 373 K N 0.699 121.072 120.400 -0.045 0.000 2.097 373 K HA -0.014 4.306 4.320 0.000 0.000 0.206 373 K C 2.060 178.662 176.600 0.003 0.000 1.049 373 K CA 0.950 57.235 56.287 -0.003 0.000 0.933 373 K CB -0.388 32.127 32.500 0.026 0.000 0.717 373 K HN 0.129 nan 8.250 nan 0.000 0.442 374 V N 1.521 121.429 119.914 -0.010 0.000 2.261 374 V HA -0.300 3.821 4.120 0.000 0.000 0.246 374 V C 2.175 178.257 176.094 -0.021 0.000 1.047 374 V CA 1.796 64.091 62.300 -0.009 0.000 1.015 374 V CB -0.436 31.336 31.823 -0.085 0.000 0.642 374 V HN 0.354 nan 8.190 nan 0.000 0.446 375 Q N -0.698 119.070 119.800 -0.053 0.000 2.226 375 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 375 Q C 2.281 178.269 176.000 -0.020 0.000 0.975 375 Q CA 1.477 57.253 55.803 -0.045 0.000 0.866 375 Q CB -0.116 28.578 28.738 -0.072 0.000 0.915 375 Q HN 0.683 nan 8.270 nan 0.000 0.440 376 E N -0.490 119.701 120.200 -0.015 0.000 2.106 376 E HA -0.135 4.215 4.350 0.000 0.000 0.192 376 E C 1.861 178.472 176.600 0.019 0.000 0.984 376 E CA 1.498 57.898 56.400 0.000 0.000 0.806 376 E CB 0.078 29.779 29.700 0.003 0.000 0.750 376 E HN 0.357 nan 8.360 nan 0.000 0.458 377 T N 1.640 116.210 114.554 0.027 0.000 2.770 377 T HA -0.044 4.306 4.350 0.000 0.000 0.263 377 T C 2.048 176.794 174.700 0.077 0.000 1.039 377 T CA 0.606 62.733 62.100 0.045 0.000 1.142 377 T CB -0.140 68.754 68.868 0.042 0.000 0.868 377 T HN 0.066 nan 8.240 nan 0.000 0.435 378 L N 0.908 122.175 121.223 0.073 0.000 2.201 378 L HA -0.074 4.266 4.340 0.000 0.000 0.212 378 L C 2.803 179.721 176.870 0.079 0.000 1.105 378 L CA 0.921 55.824 54.840 0.105 0.000 0.775 378 L CB -0.397 41.703 42.059 0.068 0.000 0.913 378 L HN 0.223 nan 8.230 nan 0.000 0.440 379 Q N -0.082 119.742 119.800 0.040 0.000 2.083 379 Q HA -0.135 4.205 4.340 0.000 0.000 0.198 379 Q C 2.056 178.075 176.000 0.032 0.000 0.969 379 Q CA 2.155 57.967 55.803 0.015 0.000 0.838 379 Q CB -0.259 28.478 28.738 -0.001 0.000 0.900 379 Q HN 0.332 nan 8.270 nan 0.000 0.436 380 T N 0.153 114.741 114.554 0.057 0.000 2.684 380 T HA -0.189 4.161 4.350 0.000 0.000 0.267 380 T C 1.293 176.067 174.700 0.124 0.000 1.036 380 T CA 1.527 63.668 62.100 0.069 0.000 1.148 380 T CB -0.665 68.240 68.868 0.063 0.000 0.863 380 T HN 0.383 nan 8.240 nan 0.000 0.436 381 Y N 2.275 122.571 120.300 -0.007 0.000 2.224 381 Y HA -0.043 4.507 4.550 0.000 0.000 0.289 381 Y C 2.374 178.269 175.900 -0.009 0.000 1.146 381 Y CA 1.044 59.140 58.100 -0.007 0.000 1.182 381 Y CB -0.409 38.048 38.460 -0.005 0.000 0.983 381 Y HN 0.107 nan 8.280 nan 0.000 0.524 382 K N -0.735 119.606 120.400 -0.099 0.000 2.057 382 K HA -0.117 4.203 4.320 0.000 0.000 0.206 382 K C 2.182 178.710 176.600 -0.119 0.000 1.050 382 K CA 1.498 57.669 56.287 -0.193 0.000 0.935 382 K CB -0.230 32.199 32.500 -0.119 0.000 0.715 382 K HN 0.198 nan 8.250 nan 0.000 0.439 383 S N 0.962 116.633 115.700 -0.048 0.000 2.440 383 S HA -0.057 4.413 4.470 0.000 0.000 0.238 383 S C 1.551 176.139 174.600 -0.020 0.000 1.010 383 S CA 0.913 59.096 58.200 -0.028 0.000 0.972 383 S CB -0.045 63.151 63.200 -0.006 0.000 0.774 383 S HN 0.301 nan 8.310 nan 0.000 0.501 384 L N 0.655 121.874 121.223 -0.006 0.000 2.616 384 L HA 0.126 4.466 4.340 0.000 0.000 0.229 384 L C 2.040 178.907 176.870 -0.004 0.000 1.110 384 L CA -0.013 54.841 54.840 0.024 0.000 0.884 384 L CB -0.190 41.926 42.059 0.094 0.000 1.115 384 L HN 0.088 nan 8.230 nan 0.000 0.481 385 Q N 1.056 120.797 119.800 -0.099 0.000 2.197 385 Q HA -0.269 4.071 4.340 0.000 0.000 0.211 385 Q C 1.642 177.607 176.000 -0.059 0.000 0.993 385 Q CA 2.170 57.889 55.803 -0.139 0.000 0.883 385 Q CB -0.413 28.198 28.738 -0.211 0.000 0.916 385 Q HN 0.708 nan 8.270 nan 0.000 0.418 386 D N -0.369 120.005 120.400 -0.043 0.000 2.123 386 D HA -0.112 4.528 4.640 0.000 0.000 0.200 386 D C 2.044 178.340 176.300 -0.008 0.000 0.976 386 D CA 0.644 54.628 54.000 -0.026 0.000 0.831 386 D CB -0.595 40.190 40.800 -0.025 0.000 0.974 386 D HN 0.298 nan 8.370 nan 0.000 0.469 387 I N 0.828 121.399 120.570 0.002 0.000 2.252 387 I HA -0.205 3.966 4.170 0.000 0.000 0.245 387 I C 2.437 178.566 176.117 0.021 0.000 1.102 387 I CA 0.587 61.894 61.300 0.012 0.000 1.385 387 I CB -0.111 37.899 38.000 0.017 0.000 1.064 387 I HN -0.060 nan 8.210 nan 0.000 0.414 388 I N 1.270 121.861 120.570 0.035 0.000 2.163 388 I HA -0.253 3.917 4.170 0.000 0.000 0.243 388 I C 2.757 178.893 176.117 0.032 0.000 1.085 388 I CA 1.658 62.988 61.300 0.050 0.000 1.347 388 I CB -1.761 36.299 38.000 0.100 0.000 1.044 388 I HN 0.161 nan 8.210 nan 0.000 0.408 389 A N 0.344 123.175 122.820 0.018 0.000 2.178 389 A HA -0.068 4.252 4.320 0.000 0.000 0.218 389 A C 2.109 179.697 177.584 0.006 0.000 1.157 389 A CA 1.142 53.184 52.037 0.008 0.000 0.689 389 A CB -0.270 18.726 19.000 -0.006 0.000 0.787 389 A HN 0.336 nan 8.150 nan 0.000 0.465 390 I N -1.805 118.770 120.570 0.007 0.000 3.632 390 I HA 0.104 4.274 4.170 0.000 0.000 0.246 390 I C 2.063 178.184 176.117 0.008 0.000 1.125 390 I CA 0.538 61.842 61.300 0.005 0.000 1.519 390 I CB -1.267 36.734 38.000 0.002 0.000 1.555 390 I HN 0.183 nan 8.210 nan 0.000 0.452 391 L N 0.816 122.045 121.223 0.010 0.000 2.313 391 L HA 0.235 4.575 4.340 0.000 0.000 0.214 391 L C 1.000 177.878 176.870 0.013 0.000 1.119 391 L CA 0.623 55.469 54.840 0.010 0.000 0.809 391 L CB -0.674 41.391 42.059 0.010 0.000 0.933 391 L HN 0.526 nan 8.230 nan 0.000 0.449 392 G N -1.133 107.677 108.800 0.017 0.000 2.758 392 G HA2 -0.243 3.717 3.960 0.000 0.000 0.686 392 G HA3 -0.243 3.717 3.960 0.000 0.000 0.686 392 G C 0.351 175.264 174.900 0.023 0.000 1.389 392 G CA -0.303 44.809 45.100 0.020 0.000 0.845 392 G HN -0.141 nan 8.290 nan 0.000 0.572 393 M N 0.177 119.792 119.600 0.024 0.000 2.146 393 M HA -0.128 4.352 4.480 0.000 0.000 0.256 393 M C 1.903 178.210 176.300 0.013 0.000 1.075 393 M CA 2.407 57.719 55.300 0.019 0.000 1.082 393 M CB -1.073 31.533 32.600 0.010 0.000 1.355 393 M HN 0.647 nan 8.290 nan 0.000 0.402 394 D N 0.498 120.904 120.400 0.010 0.000 2.411 394 D HA -0.107 4.533 4.640 0.000 0.000 0.226 394 D C 1.030 177.335 176.300 0.008 0.000 0.988 394 D CA 0.744 54.748 54.000 0.008 0.000 0.938 394 D CB -0.054 40.749 40.800 0.007 0.000 0.883 394 D HN 0.416 nan 8.370 nan 0.000 0.525 395 E N -0.197 120.010 120.200 0.011 0.000 2.651 395 E HA 0.179 4.529 4.350 0.000 0.000 0.208 395 E C 0.212 176.819 176.600 0.012 0.000 0.997 395 E CA -0.156 56.251 56.400 0.010 0.000 1.020 395 E CB 0.804 30.510 29.700 0.010 0.000 1.052 395 E HN 0.279 nan 8.360 nan 0.000 0.465 396 L N 1.169 122.399 121.223 0.012 0.000 2.334 396 L HA 0.317 4.658 4.340 0.000 0.000 0.272 396 L C 0.795 177.671 176.870 0.009 0.000 1.020 396 L CA -0.915 53.933 54.840 0.013 0.000 0.812 396 L CB 1.471 43.540 42.059 0.016 0.000 1.264 396 L HN -0.067 nan 8.230 nan 0.000 0.439 397 S N 0.059 115.764 115.700 0.009 0.000 2.576 397 S HA 0.101 4.571 4.470 0.000 0.000 0.276 397 S C 0.855 175.457 174.600 0.004 0.000 1.339 397 S CA -0.675 57.528 58.200 0.006 0.000 1.039 397 S CB 1.179 64.383 63.200 0.007 0.000 0.902 397 S HN 0.598 nan 8.310 nan 0.000 0.516 398 E N 1.741 121.943 120.200 0.002 0.000 2.065 398 E HA -0.258 4.092 4.350 0.000 0.000 0.201 398 E C 2.006 178.605 176.600 -0.001 0.000 1.016 398 E CA 1.719 58.119 56.400 -0.000 0.000 0.818 398 E CB -0.704 28.995 29.700 -0.000 0.000 0.749 398 E HN 0.874 nan 8.360 nan 0.000 0.453 399 Q N -0.094 119.707 119.800 0.001 0.000 2.182 399 Q HA -0.230 4.110 4.340 0.000 0.000 0.213 399 Q C 1.105 177.106 176.000 0.001 0.000 1.000 399 Q CA 2.001 57.805 55.803 0.002 0.000 0.889 399 Q CB 0.006 28.747 28.738 0.005 0.000 0.932 399 Q HN 0.234 nan 8.270 nan 0.000 0.415 400 D N -1.566 118.836 120.400 0.003 0.000 2.423 400 D HA 0.024 4.664 4.640 0.000 0.000 0.212 400 D C 1.194 177.491 176.300 -0.005 0.000 1.060 400 D CA 0.254 54.257 54.000 0.005 0.000 0.872 400 D CB 0.074 40.884 40.800 0.017 0.000 1.012 400 D HN 0.072 nan 8.370 nan 0.000 0.503 401 K N 0.432 120.827 120.400 -0.008 0.000 2.147 401 K HA -0.096 4.225 4.320 0.000 0.000 0.205 401 K C 1.802 178.380 176.600 -0.036 0.000 1.049 401 K CA 0.662 56.938 56.287 -0.019 0.000 0.936 401 K CB 0.097 32.590 32.500 -0.012 0.000 0.722 401 K HN 0.035 nan 8.250 nan 0.000 0.446 402 L N 0.211 121.417 121.223 -0.028 0.000 2.209 402 L HA -0.018 4.323 4.340 0.000 0.000 0.207 402 L C 1.834 178.678 176.870 -0.043 0.000 1.094 402 L CA 1.544 56.365 54.840 -0.032 0.000 0.790 402 L CB -0.217 41.831 42.059 -0.017 0.000 0.932 402 L HN 0.015 nan 8.230 nan 0.000 0.447 403 T N -1.135 113.397 114.554 -0.036 0.000 2.857 403 T HA -0.104 4.246 4.350 0.000 0.000 0.266 403 T C 1.923 176.574 174.700 -0.083 0.000 1.048 403 T CA 1.494 63.573 62.100 -0.035 0.000 1.139 403 T CB -0.170 68.695 68.868 -0.004 0.000 0.874 403 T HN 0.152 nan 8.240 nan 0.000 0.455 404 V N 1.413 121.252 119.914 -0.125 0.000 2.237 404 V HA -0.198 3.922 4.120 0.000 0.000 0.245 404 V C 2.441 178.336 176.094 -0.331 0.000 1.046 404 V CA 1.843 63.952 62.300 -0.319 0.000 1.007 404 V CB -0.660 30.993 31.823 -0.283 0.000 0.638 404 V HN 0.475 nan 8.190 nan 0.000 0.445 405 E N -0.613 119.469 120.200 -0.197 0.000 2.208 405 E HA -0.309 4.041 4.350 0.000 0.000 0.202 405 E C 2.396 178.909 176.600 -0.144 0.000 1.014 405 E CA 1.860 58.173 56.400 -0.145 0.000 0.819 405 E CB -0.164 29.489 29.700 -0.079 0.000 0.735 405 E HN 0.404 nan 8.360 nan 0.000 0.469 406 R N -0.599 119.822 120.500 -0.131 0.000 2.080 406 R HA 0.051 4.391 4.340 0.000 0.000 0.222 406 R C 2.223 178.446 176.300 -0.128 0.000 1.107 406 R CA 0.883 56.913 56.100 -0.117 0.000 0.980 406 R CB -0.091 30.173 30.300 -0.060 0.000 0.879 406 R HN 0.153 nan 8.270 nan 0.000 0.439 407 A N 1.347 124.091 122.820 -0.127 0.000 1.859 407 A HA -0.237 4.084 4.320 0.000 0.000 0.217 407 A C 2.068 179.598 177.584 -0.090 0.000 1.198 407 A CA 1.712 53.704 52.037 -0.074 0.000 0.629 407 A CB -0.621 18.337 19.000 -0.069 0.000 0.830 407 A HN 0.313 nan 8.150 nan 0.000 0.446 408 R N -0.359 119.997 120.500 -0.240 0.000 2.154 408 R HA -0.193 4.147 4.340 0.000 0.000 0.248 408 R C 2.233 178.480 176.300 -0.088 0.000 1.155 408 R CA 1.894 57.904 56.100 -0.149 0.000 0.979 408 R CB -0.315 29.855 30.300 -0.217 0.000 0.869 408 R HN 0.593 nan 8.270 nan 0.000 0.452 409 K N 0.309 120.590 120.400 -0.198 0.000 2.007 409 K HA -0.060 4.260 4.320 0.000 0.000 0.206 409 K C 2.120 178.530 176.600 -0.317 0.000 1.047 409 K CA 1.181 57.206 56.287 -0.438 0.000 0.937 409 K CB -0.171 31.817 32.500 -0.853 0.000 0.718 409 K HN 0.076 nan 8.250 nan 0.000 0.438 410 I N 1.675 122.173 120.570 -0.120 0.000 2.151 410 I HA -0.375 3.795 4.170 0.000 0.000 0.243 410 I C 2.811 179.084 176.117 0.259 0.000 1.080 410 I CA 1.442 62.866 61.300 0.206 0.000 1.339 410 I CB -0.269 37.876 38.000 0.241 0.000 1.039 410 I HN 0.286 nan 8.210 nan 0.000 0.409 411 Q N 0.615 120.508 119.800 0.156 0.000 2.045 411 Q HA -0.274 4.067 4.340 0.000 0.000 0.206 411 Q C 2.365 178.484 176.000 0.199 0.000 0.991 411 Q CA 1.937 57.839 55.803 0.165 0.000 0.851 411 Q CB -0.032 28.800 28.738 0.158 0.000 0.911 411 Q HN 0.384 nan 8.270 nan 0.000 0.418 412 R N -0.962 119.665 120.500 0.212 0.000 2.189 412 R HA -0.087 4.253 4.340 0.000 0.000 0.223 412 R C 1.818 178.350 176.300 0.387 0.000 1.092 412 R CA 0.706 56.992 56.100 0.310 0.000 0.989 412 R CB -0.074 30.434 30.300 0.346 0.000 0.876 412 R HN 0.231 nan 8.270 nan 0.000 0.457 413 F N 0.393 120.438 119.950 0.158 0.000 2.615 413 F HA 0.098 4.625 4.527 0.000 0.000 0.297 413 F C 1.315 177.280 175.800 0.275 0.000 1.124 413 F CA 0.630 58.728 58.000 0.165 0.000 1.451 413 F CB 0.089 39.042 39.000 -0.078 0.000 1.103 413 F HN -0.078 nan 8.300 nan 0.000 0.569 414 L N -0.283 121.148 121.223 0.347 0.000 2.395 414 L HA -0.013 4.327 4.340 0.000 0.000 0.218 414 L C 1.393 178.329 176.870 0.110 0.000 1.130 414 L CA 0.264 55.224 54.840 0.201 0.000 0.826 414 L CB -0.771 41.376 42.059 0.146 0.000 0.941 414 L HN 0.043 nan 8.230 nan 0.000 0.451 415 S N -0.086 115.674 115.700 0.101 0.000 2.580 415 S HA 0.220 4.690 4.470 0.000 0.000 0.266 415 S C -0.217 174.379 174.600 -0.008 0.000 1.354 415 S CA -0.377 57.823 58.200 -0.001 0.000 1.008 415 S CB 1.558 64.679 63.200 -0.132 0.000 0.898 415 S HN 0.309 nan 8.310 nan 0.000 0.555 416 Q N 0.204 119.979 119.800 -0.042 0.000 2.443 416 Q HA 0.310 4.650 4.340 0.000 0.000 0.258 416 Q C -3.202 172.820 176.000 0.037 0.000 0.967 416 Q CA -1.631 54.189 55.803 0.028 0.000 0.951 416 Q CB 2.010 30.825 28.738 0.128 0.000 1.459 416 Q HN 0.438 nan 8.270 nan 0.000 0.415 417 P HA 0.147 nan 4.420 nan 0.000 0.270 417 P C -1.063 176.407 177.300 0.282 0.000 1.242 417 P CA 0.133 63.296 63.100 0.106 0.000 0.768 417 P CB 0.066 31.806 31.700 0.067 0.000 0.820 418 F N 1.940 121.871 119.950 -0.031 0.000 2.385 418 F HA 0.350 4.877 4.527 0.000 0.000 0.336 418 F C 1.675 177.458 175.800 -0.028 0.000 1.100 418 F CA -1.308 56.664 58.000 -0.047 0.000 1.116 418 F CB 0.474 39.439 39.000 -0.058 0.000 1.166 418 F HN 0.345 nan 8.300 nan 0.000 0.511 419 A N 2.781 125.649 122.820 0.079 0.000 2.070 419 A HA -0.044 4.276 4.320 0.000 0.000 0.220 419 A C 1.697 179.309 177.584 0.046 0.000 1.159 419 A CA 1.544 53.599 52.037 0.030 0.000 0.656 419 A CB -0.576 18.407 19.000 -0.027 0.000 0.800 419 A HN 0.522 nan 8.150 nan 0.000 0.453 420 V N -1.763 118.207 119.914 0.093 0.000 3.621 420 V HA 0.237 4.357 4.120 0.000 0.000 0.285 420 V C 1.795 177.985 176.094 0.160 0.000 1.346 420 V CA 1.011 63.370 62.300 0.099 0.000 1.104 420 V CB 0.235 32.110 31.823 0.087 0.000 0.913 420 V HN 0.538 nan 8.190 nan 0.000 0.432 421 A N -0.434 122.503 122.820 0.195 0.000 2.538 421 A HA 0.252 4.572 4.320 0.000 0.000 0.269 421 A C 1.686 179.346 177.584 0.126 0.000 1.231 421 A CA 0.370 52.547 52.037 0.233 0.000 0.948 421 A CB 0.007 19.120 19.000 0.189 0.000 1.110 421 A HN 0.456 nan 8.150 nan 0.000 0.529 422 E N 0.098 120.324 120.200 0.043 0.000 2.086 422 E HA -0.225 4.125 4.350 0.000 0.000 0.205 422 E C 1.561 178.106 176.600 -0.092 0.000 1.027 422 E CA 2.257 58.650 56.400 -0.012 0.000 0.830 422 E CB -0.290 29.396 29.700 -0.023 0.000 0.751 422 E HN 0.254 nan 8.360 nan 0.000 0.456 423 V N 0.073 119.842 119.914 -0.241 0.000 2.370 423 V HA -0.285 3.835 4.120 0.000 0.000 0.252 423 V C 1.937 177.759 176.094 -0.454 0.000 1.068 423 V CA 2.158 64.193 62.300 -0.442 0.000 1.061 423 V CB -0.574 30.817 31.823 -0.719 0.000 0.656 423 V HN 0.327 nan 8.190 nan 0.000 0.455 424 F N 0.145 120.071 119.950 -0.039 0.000 2.374 424 F HA -0.024 4.503 4.527 0.000 0.000 0.291 424 F C 2.678 178.454 175.800 -0.040 0.000 1.084 424 F CA 1.266 59.230 58.000 -0.059 0.000 1.413 424 F CB -1.362 37.560 39.000 -0.130 0.000 1.099 424 F HN 0.239 nan 8.300 nan 0.000 0.534 425 T N -2.885 111.743 114.554 0.123 0.000 2.857 425 T HA 0.237 4.587 4.350 0.000 0.000 0.266 425 T C 2.079 176.824 174.700 0.075 0.000 1.048 425 T CA 1.114 63.269 62.100 0.092 0.000 1.139 425 T CB -0.582 68.323 68.868 0.061 0.000 0.874 425 T HN 0.488 nan 8.240 nan 0.000 0.455 426 G N 1.334 110.154 108.800 0.033 0.000 2.199 426 G HA2 -0.194 3.766 3.960 0.000 0.000 0.254 426 G HA3 -0.194 3.766 3.960 0.000 0.000 0.254 426 G C 0.081 174.992 174.900 0.018 0.000 0.982 426 G CA 0.218 45.329 45.100 0.018 0.000 0.632 426 G HN 0.686 nan 8.290 nan 0.000 0.529 427 I N 1.528 122.115 120.570 0.028 0.000 2.707 427 I HA 0.459 4.629 4.170 0.000 0.000 0.309 427 I C -2.102 174.026 176.117 0.019 0.000 1.001 427 I CA -2.787 58.529 61.300 0.026 0.000 1.129 427 I CB 1.830 39.852 38.000 0.037 0.000 1.308 427 I HN -0.165 nan 8.210 nan 0.000 0.466 428 P HA 0.134 nan 4.420 nan 0.000 0.274 428 P C -0.237 177.079 177.300 0.027 0.000 1.237 428 P CA -0.298 62.809 63.100 0.013 0.000 0.793 428 P CB 0.476 32.180 31.700 0.005 0.000 0.977 429 G N 2.081 110.899 108.800 0.030 0.000 2.406 429 G HA2 0.236 4.196 3.960 0.000 0.000 0.251 429 G HA3 0.236 4.196 3.960 0.000 0.000 0.251 429 G C -0.460 174.457 174.900 0.029 0.000 1.271 429 G CA -0.351 44.777 45.100 0.047 0.000 0.859 429 G HN 0.248 nan 8.290 nan 0.000 0.540 430 K N 1.452 121.877 120.400 0.043 0.000 2.221 430 K HA 0.407 4.727 4.320 0.000 0.000 0.258 430 K C -1.016 175.588 176.600 0.006 0.000 0.944 430 K CA -0.754 55.548 56.287 0.024 0.000 0.823 430 K CB 2.742 35.262 32.500 0.034 0.000 1.113 430 K HN 0.374 nan 8.250 nan 0.000 0.431 431 L N 3.308 124.524 121.223 -0.012 0.000 2.388 431 L HA 0.266 4.606 4.340 0.000 0.000 0.267 431 L C -0.692 176.167 176.870 -0.019 0.000 0.995 431 L CA -0.738 54.082 54.840 -0.033 0.000 0.864 431 L CB 1.221 43.251 42.059 -0.049 0.000 1.216 431 L HN 0.276 nan 8.230 nan 0.000 0.430 432 V N 3.680 123.584 119.914 -0.016 0.000 3.336 432 V HA 0.465 4.585 4.120 0.000 0.000 0.304 432 V C 0.321 176.407 176.094 -0.013 0.000 1.073 432 V CA -0.635 61.658 62.300 -0.011 0.000 1.074 432 V CB 1.356 33.169 31.823 -0.016 0.000 1.161 432 V HN 0.687 nan 8.190 nan 0.000 0.460 433 R N -0.123 120.374 120.500 -0.006 0.000 2.686 433 R HA 0.433 4.773 4.340 0.000 0.000 0.286 433 R C 0.802 177.096 176.300 -0.010 0.000 0.969 433 R CA -0.801 55.295 56.100 -0.006 0.000 0.898 433 R CB 1.747 32.048 30.300 0.001 0.000 1.183 433 R HN 0.685 nan 8.270 nan 0.000 0.456 434 L N 2.777 123.991 121.223 -0.015 0.000 2.030 434 L HA -0.375 3.965 4.340 0.000 0.000 0.222 434 L C 1.738 178.569 176.870 -0.064 0.000 1.082 434 L CA 2.069 56.886 54.840 -0.039 0.000 0.785 434 L CB -0.089 41.966 42.059 -0.007 0.000 0.895 434 L HN 0.636 nan 8.230 nan 0.000 0.439 435 K N -0.688 119.695 120.400 -0.029 0.000 2.009 435 K HA -0.262 4.058 4.320 0.000 0.000 0.210 435 K C 1.899 178.498 176.600 -0.001 0.000 1.049 435 K CA 1.833 58.109 56.287 -0.019 0.000 0.929 435 K CB -0.405 32.098 32.500 0.006 0.000 0.714 435 K HN 0.419 nan 8.250 nan 0.000 0.440 436 D N 0.102 120.509 120.400 0.011 0.000 2.133 436 D HA -0.154 4.486 4.640 0.000 0.000 0.195 436 D C 1.567 177.894 176.300 0.045 0.000 0.997 436 D CA 1.657 55.675 54.000 0.030 0.000 0.840 436 D CB -0.122 40.692 40.800 0.024 0.000 0.947 436 D HN 0.138 nan 8.370 nan 0.000 0.452 437 T N -0.336 114.233 114.554 0.025 0.000 2.737 437 T HA -0.087 4.263 4.350 0.000 0.000 0.265 437 T C 2.207 176.991 174.700 0.140 0.000 1.038 437 T CA 1.279 63.424 62.100 0.074 0.000 1.144 437 T CB -0.490 68.393 68.868 0.025 0.000 0.866 437 T HN -0.006 nan 8.240 nan 0.000 0.434 438 V N 1.931 121.837 119.914 -0.013 0.000 2.287 438 V HA -0.213 3.907 4.120 0.000 0.000 0.248 438 V C 2.930 179.077 176.094 0.087 0.000 1.053 438 V CA 1.814 64.091 62.300 -0.040 0.000 1.027 438 V CB -1.266 30.439 31.823 -0.197 0.000 0.646 438 V HN 0.553 nan 8.190 nan 0.000 0.447 439 A N -0.509 122.360 122.820 0.081 0.000 1.902 439 A HA -0.198 4.122 4.320 0.000 0.000 0.217 439 A C 2.475 180.158 177.584 0.164 0.000 1.181 439 A CA 2.265 54.366 52.037 0.107 0.000 0.623 439 A CB -0.625 18.424 19.000 0.082 0.000 0.818 439 A HN 0.527 nan 8.150 nan 0.000 0.443 440 S N -0.847 114.966 115.700 0.189 0.000 2.345 440 S HA -0.057 4.413 4.470 0.000 0.000 0.220 440 S C 1.640 176.393 174.600 0.254 0.000 1.031 440 S CA 1.425 59.762 58.200 0.230 0.000 0.996 440 S CB -0.531 62.802 63.200 0.222 0.000 0.882 440 S HN 0.543 nan 8.310 nan 0.000 0.445 441 F N 1.853 121.958 119.950 0.258 0.000 2.146 441 F HA 0.018 4.546 4.527 0.000 0.000 0.298 441 F C 2.362 178.261 175.800 0.164 0.000 1.096 441 F CA 1.056 59.196 58.000 0.232 0.000 1.275 441 F CB -0.298 38.776 39.000 0.123 0.000 1.008 441 F HN 0.072 nan 8.300 nan 0.000 0.480 442 K N 0.634 121.211 120.400 0.295 0.000 2.059 442 K HA -0.275 4.045 4.320 0.000 0.000 0.212 442 K C 2.247 178.943 176.600 0.161 0.000 1.050 442 K CA 1.572 57.971 56.287 0.186 0.000 0.927 442 K CB -0.402 32.180 32.500 0.137 0.000 0.714 442 K HN 0.229 nan 8.250 nan 0.000 0.447 443 A N 0.433 123.364 122.820 0.184 0.000 1.908 443 A HA -0.128 4.192 4.320 0.000 0.000 0.218 443 A C 2.257 179.944 177.584 0.171 0.000 1.181 443 A CA 1.797 53.934 52.037 0.167 0.000 0.627 443 A CB -0.644 18.527 19.000 0.286 0.000 0.818 443 A HN 0.208 nan 8.150 nan 0.000 0.445 444 V N -0.155 119.913 119.914 0.257 0.000 2.515 444 V HA -0.208 3.912 4.120 0.000 0.000 0.250 444 V C 2.497 178.668 176.094 0.128 0.000 1.058 444 V CA 1.720 64.157 62.300 0.230 0.000 1.064 444 V CB -0.621 31.270 31.823 0.115 0.000 0.675 444 V HN 0.560 nan 8.190 nan 0.000 0.461 445 L N -0.349 120.957 121.223 0.139 0.000 2.131 445 L HA -0.174 4.167 4.340 0.000 0.000 0.210 445 L C 2.282 179.186 176.870 0.057 0.000 1.092 445 L CA 1.460 56.361 54.840 0.102 0.000 0.759 445 L CB -0.368 41.761 42.059 0.118 0.000 0.903 445 L HN 0.378 nan 8.230 nan 0.000 0.435 446 E N -0.592 119.634 120.200 0.042 0.000 2.511 446 E HA 0.015 4.365 4.350 0.000 0.000 0.196 446 E C 1.390 177.981 176.600 -0.015 0.000 1.066 446 E CA 0.518 56.924 56.400 0.010 0.000 0.871 446 E CB 0.165 29.864 29.700 -0.002 0.000 0.863 446 E HN 0.512 nan 8.360 nan 0.000 0.520 447 G N 1.550 110.343 108.800 -0.011 0.000 2.176 447 G HA2 -0.355 3.605 3.960 0.000 0.000 0.253 447 G HA3 -0.355 3.605 3.960 0.000 0.000 0.253 447 G C 0.809 175.665 174.900 -0.074 0.000 0.979 447 G CA 0.314 45.400 45.100 -0.023 0.000 0.641 447 G HN 0.240 nan 8.290 nan 0.000 0.530 448 K N -0.569 119.734 120.400 -0.162 0.000 2.616 448 K HA 0.148 4.468 4.320 0.000 0.000 0.192 448 K C 0.143 176.307 176.600 -0.727 0.000 1.031 448 K CA 0.731 56.768 56.287 -0.417 0.000 1.004 448 K CB -0.127 32.060 32.500 -0.521 0.000 0.810 448 K HN 0.605 nan 8.250 nan 0.000 0.497 449 Y N -1.748 118.569 120.300 0.030 0.000 2.892 449 Y HA 0.094 4.644 4.550 0.000 0.000 0.242 449 Y C 0.112 176.064 175.900 0.087 0.000 1.080 449 Y CA -0.839 57.294 58.100 0.056 0.000 1.147 449 Y CB 0.285 38.806 38.460 0.102 0.000 1.229 449 Y HN -0.060 nan 8.280 nan 0.000 0.633 450 D N 0.431 120.907 120.400 0.127 0.000 2.194 450 D HA -0.107 4.533 4.640 0.000 0.000 0.204 450 D C 1.663 178.013 176.300 0.083 0.000 0.964 450 D CA 1.410 55.464 54.000 0.090 0.000 0.846 450 D CB 0.099 40.919 40.800 0.034 0.000 0.962 450 D HN 0.403 nan 8.370 nan 0.000 0.490 451 N N 0.433 119.176 118.700 0.072 0.000 2.398 451 N HA -0.039 4.701 4.740 0.000 0.000 0.188 451 N C 0.446 175.991 175.510 0.057 0.000 1.122 451 N CA 0.038 53.119 53.050 0.051 0.000 0.866 451 N CB -0.126 38.379 38.487 0.030 0.000 0.970 451 N HN 0.194 nan 8.380 nan 0.000 0.462 452 I N 1.263 121.886 120.570 0.087 0.000 2.638 452 I HA 0.168 4.339 4.170 0.000 0.000 0.286 452 I C -1.863 174.302 176.117 0.080 0.000 1.088 452 I CA -1.861 59.467 61.300 0.047 0.000 1.397 452 I CB 0.421 38.412 38.000 -0.014 0.000 1.414 452 I HN -0.148 nan 8.210 nan 0.000 0.566 453 P HA 0.096 nan 4.420 nan 0.000 0.273 453 P C 0.055 177.454 177.300 0.166 0.000 1.250 453 P CA -0.246 62.903 63.100 0.081 0.000 0.793 453 P CB 0.607 32.341 31.700 0.056 0.000 1.011 454 E N -0.571 119.744 120.200 0.192 0.000 2.112 454 E HA -0.199 4.151 4.350 0.000 0.000 0.190 454 E C 1.679 178.468 176.600 0.315 0.000 0.979 454 E CA 0.672 57.243 56.400 0.287 0.000 0.814 454 E CB -0.369 29.410 29.700 0.131 0.000 0.762 454 E HN 0.517 nan 8.360 nan 0.000 0.460 455 H N 0.525 119.656 119.070 0.100 0.000 2.496 455 H HA -0.093 4.463 4.556 0.000 0.000 0.296 455 H C 1.705 177.082 175.328 0.082 0.000 1.107 455 H CA 1.393 57.482 56.048 0.067 0.000 1.263 455 H CB 0.056 29.822 29.762 0.007 0.000 1.369 455 H HN 0.194 nan 8.280 nan 0.000 0.541 456 A N -0.685 122.193 122.820 0.096 0.000 2.021 456 A HA -0.005 4.315 4.320 0.000 0.000 0.216 456 A C 2.036 179.485 177.584 -0.224 0.000 1.163 456 A CA 0.362 52.307 52.037 -0.152 0.000 0.676 456 A CB -0.696 18.074 19.000 -0.383 0.000 0.818 456 A HN 0.286 nan 8.150 nan 0.000 0.453 457 F N -1.938 118.017 119.950 0.008 0.000 2.456 457 F HA 0.062 4.589 4.527 0.000 0.000 0.298 457 F C 0.927 176.850 175.800 0.206 0.000 1.104 457 F CA 0.112 58.102 58.000 -0.016 0.000 1.435 457 F CB -0.445 38.497 39.000 -0.096 0.000 1.078 457 F HN 0.274 nan 8.300 nan 0.000 0.546 458 Y N 1.703 122.167 120.300 0.273 0.000 2.677 458 Y HA 0.163 4.713 4.550 0.000 0.000 0.335 458 Y C 0.781 176.798 175.900 0.195 0.000 1.162 458 Y CA -1.005 57.237 58.100 0.237 0.000 1.483 458 Y CB 0.061 38.660 38.460 0.231 0.000 1.209 458 Y HN 0.154 nan 8.280 nan 0.000 0.528 459 M N 4.737 124.160 119.600 -0.294 0.000 2.399 459 M HA -0.162 4.319 4.480 0.000 0.000 0.191 459 M C -1.694 174.601 176.300 -0.009 0.000 0.732 459 M CA 1.181 56.339 55.300 -0.236 0.000 0.512 459 M CB -1.284 31.101 32.600 -0.359 0.000 1.191 459 M HN 0.423 nan 8.290 nan 0.000 0.894 460 V N -1.537 118.415 119.914 0.064 0.000 3.141 460 V HA 1.087 5.207 4.120 0.000 0.000 0.312 460 V C 0.910 177.061 176.094 0.096 0.000 1.157 460 V CA -0.295 62.058 62.300 0.088 0.000 1.041 460 V CB 1.413 33.302 31.823 0.110 0.000 1.071 460 V HN 0.527 nan 8.190 nan 0.000 0.441 461 G N 0.692 109.536 108.800 0.074 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 0.575 175.518 174.900 0.072 0.000 1.864 461 G CA 0.114 45.245 45.100 0.051 0.000 0.992 461 G HN 1.425 nan 8.290 nan 0.000 0.458 462 G N -1.190 107.651 108.800 0.069 0.000 2.509 462 G HA2 0.342 4.302 3.960 0.000 0.000 0.269 462 G HA3 0.342 4.302 3.960 0.000 0.000 0.269 462 G C 0.800 175.824 174.900 0.206 0.000 1.416 462 G CA -0.064 45.102 45.100 0.109 0.000 1.052 462 G HN 0.330 nan 8.290 nan 0.000 0.542 463 I N -0.631 120.045 120.570 0.178 0.000 2.546 463 I HA -0.005 4.165 4.170 0.000 0.000 0.255 463 I C 2.459 178.529 176.117 -0.077 0.000 1.163 463 I CA 1.002 62.320 61.300 0.030 0.000 1.457 463 I CB -0.377 37.635 38.000 0.020 0.000 1.092 463 I HN 0.683 nan 8.210 nan 0.000 0.434 464 E N 0.657 120.850 120.200 -0.012 0.000 2.108 464 E HA -0.297 4.053 4.350 0.000 0.000 0.203 464 E C 1.669 178.234 176.600 -0.059 0.000 1.022 464 E CA 2.188 58.574 56.400 -0.025 0.000 0.823 464 E CB -0.097 29.603 29.700 0.001 0.000 0.744 464 E HN 0.503 nan 8.360 nan 0.000 0.456 465 D N -1.143 119.230 120.400 -0.045 0.000 2.183 465 D HA -0.084 4.556 4.640 0.000 0.000 0.203 465 D C 1.903 178.120 176.300 -0.138 0.000 0.969 465 D CA 0.739 54.705 54.000 -0.057 0.000 0.842 465 D CB -0.059 40.740 40.800 -0.001 0.000 0.957 465 D HN 0.089 nan 8.370 nan 0.000 0.484 466 V N 0.309 120.076 119.914 -0.245 0.000 2.307 466 V HA -0.180 3.940 4.120 0.000 0.000 0.245 466 V C 2.558 178.411 176.094 -0.402 0.000 1.045 466 V CA 0.921 62.942 62.300 -0.464 0.000 1.024 466 V CB -0.464 30.845 31.823 -0.858 0.000 0.651 466 V HN 0.074 nan 8.190 nan 0.000 0.449 467 V N 0.304 120.017 119.914 -0.335 0.000 2.380 467 V HA -0.314 3.806 4.120 0.000 0.000 0.251 467 V C 2.627 178.640 176.094 -0.134 0.000 1.063 467 V CA 2.303 64.483 62.300 -0.200 0.000 1.055 467 V CB -0.889 30.863 31.823 -0.118 0.000 0.657 467 V HN 0.580 nan 8.190 nan 0.000 0.455 468 A N -0.940 121.808 122.820 -0.121 0.000 1.898 468 A HA -0.159 4.161 4.320 0.000 0.000 0.214 468 A C 2.321 179.851 177.584 -0.091 0.000 1.183 468 A CA 1.731 53.718 52.037 -0.084 0.000 0.622 468 A CB -0.357 18.607 19.000 -0.060 0.000 0.824 468 A HN 0.506 nan 8.150 nan 0.000 0.444 469 K N -0.204 120.126 120.400 -0.117 0.000 2.001 469 K HA -0.023 4.298 4.320 0.000 0.000 0.208 469 K C 2.200 178.726 176.600 -0.123 0.000 1.048 469 K CA 1.124 57.344 56.287 -0.111 0.000 0.932 469 K CB -0.337 32.094 32.500 -0.115 0.000 0.715 469 K HN 0.311 nan 8.250 nan 0.000 0.437 470 A N 1.442 124.165 122.820 -0.162 0.000 1.940 470 A HA -0.219 4.101 4.320 0.000 0.000 0.219 470 A C 1.909 179.435 177.584 -0.096 0.000 1.176 470 A CA 1.781 53.733 52.037 -0.143 0.000 0.631 470 A CB -0.553 18.336 19.000 -0.185 0.000 0.814 470 A HN 0.482 nan 8.150 nan 0.000 0.446 471 E N -0.366 119.781 120.200 -0.088 0.000 2.110 471 E HA -0.190 4.160 4.350 0.000 0.000 0.193 471 E C 1.992 178.560 176.600 -0.053 0.000 0.988 471 E CA 1.116 57.480 56.400 -0.060 0.000 0.804 471 E CB -0.106 29.562 29.700 -0.052 0.000 0.745 471 E HN 0.542 nan 8.360 nan 0.000 0.458 472 K N 0.422 120.786 120.400 -0.060 0.000 2.057 472 K HA -0.127 4.193 4.320 0.000 0.000 0.207 472 K C 2.285 178.854 176.600 -0.053 0.000 1.049 472 K CA 0.794 57.050 56.287 -0.053 0.000 0.931 472 K CB -0.167 32.299 32.500 -0.055 0.000 0.714 472 K HN 0.185 nan 8.250 nan 0.000 0.440 473 L N 0.862 122.046 121.223 -0.064 0.000 2.012 473 L HA -0.142 4.198 4.340 0.000 0.000 0.210 473 L C 1.672 178.516 176.870 -0.042 0.000 1.073 473 L CA 0.723 55.527 54.840 -0.061 0.000 0.748 473 L CB -0.710 41.305 42.059 -0.073 0.000 0.891 473 L HN 0.097 nan 8.230 nan 0.000 0.431 474 A N 0.000 122.797 122.820 -0.038 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 474 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486