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 3ofn_1_F DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.703 174.700 0.005 0.000 1.109 7 T CA 0.000 62.103 62.100 0.005 0.000 1.349 7 T CB 0.000 68.871 68.868 0.005 0.000 0.612 8 P HA 0.684 nan 4.420 nan 0.000 0.289 8 P C -0.717 176.595 177.300 0.020 0.000 1.299 8 P CA -0.889 62.218 63.100 0.012 0.000 0.766 8 P CB 0.690 32.402 31.700 0.020 0.000 1.226 9 I N 0.476 121.060 120.570 0.024 0.000 2.330 9 I HA 0.244 4.417 4.170 0.005 0.000 0.286 9 I C 0.304 176.516 176.117 0.158 0.000 1.025 9 I CA -0.202 61.119 61.300 0.036 0.000 1.197 9 I CB 1.082 39.041 38.000 -0.068 0.000 1.358 9 I HN 0.404 nan 8.210 nan 0.000 0.467 10 T N 1.850 116.517 114.554 0.188 0.000 2.908 10 T HA 0.907 5.260 4.350 0.005 0.000 0.290 10 T C -0.093 174.699 174.700 0.154 0.000 1.034 10 T CA -0.800 61.415 62.100 0.192 0.000 1.010 10 T CB 2.337 71.250 68.868 0.075 0.000 1.068 10 T HN 0.625 nan 8.240 nan 0.000 0.481 11 G N 0.819 109.556 108.800 -0.105 0.000 2.870 11 G HA2 0.706 4.669 3.960 0.005 0.000 0.299 11 G HA3 0.706 4.669 3.960 0.005 0.000 0.299 11 G C -1.853 172.870 174.900 -0.295 0.000 1.324 11 G CA -1.290 43.568 45.100 -0.403 0.000 0.808 11 G HN 0.809 nan 8.290 nan 0.000 0.535 12 K N 0.170 120.397 120.400 -0.289 0.000 2.426 12 K HA 0.552 4.875 4.320 0.005 0.000 0.254 12 K C -0.701 175.813 176.600 -0.143 0.000 0.936 12 K CA -0.742 55.456 56.287 -0.147 0.000 0.801 12 K CB 2.902 35.370 32.500 -0.054 0.000 1.139 12 K HN 0.246 nan 8.250 nan 0.000 0.424 13 V N 2.857 122.705 119.914 -0.111 0.000 2.681 13 V HA -0.124 3.999 4.120 0.005 0.000 0.306 13 V C 1.261 177.324 176.094 -0.052 0.000 1.077 13 V CA 1.252 63.506 62.300 -0.077 0.000 1.224 13 V CB 0.377 32.169 31.823 -0.052 0.000 0.879 13 V HN 1.122 nan 8.190 nan 0.000 0.494 14 T N 0.975 115.504 114.554 -0.041 0.000 2.954 14 T HA 0.590 4.943 4.350 0.005 0.000 0.252 14 T C 0.297 174.981 174.700 -0.027 0.000 0.983 14 T CA 0.466 62.547 62.100 -0.033 0.000 0.941 14 T CB 0.617 69.467 68.868 -0.029 0.000 1.141 14 T HN 1.052 nan 8.240 nan 0.000 0.500 15 A N 0.731 123.538 122.820 -0.021 0.000 2.549 15 A HA 0.740 5.063 4.320 0.005 0.000 0.297 15 A C -1.575 176.002 177.584 -0.011 0.000 1.061 15 A CA -0.747 51.281 52.037 -0.014 0.000 0.690 15 A CB 1.990 20.984 19.000 -0.009 0.000 1.287 15 A HN 0.402 nan 8.150 nan 0.000 0.402 16 V N 1.981 121.890 119.914 -0.009 0.000 2.532 16 V HA 0.480 4.603 4.120 0.005 0.000 0.294 16 V C -1.319 174.772 176.094 -0.005 0.000 1.036 16 V CA -0.080 62.217 62.300 -0.006 0.000 0.876 16 V CB 0.914 32.733 31.823 -0.007 0.000 1.012 16 V HN 0.666 nan 8.190 nan 0.000 0.432 17 I N 3.966 124.534 120.570 -0.002 0.000 2.493 17 I HA 0.805 4.978 4.170 0.005 0.000 0.279 17 I C 0.930 177.046 176.117 -0.002 0.000 1.045 17 I CA 0.358 61.657 61.300 -0.003 0.000 1.106 17 I CB 1.248 39.247 38.000 -0.002 0.000 1.216 17 I HN 0.810 nan 8.210 nan 0.000 0.459 18 G N 4.547 113.346 108.800 -0.002 0.000 2.591 18 G HA2 -0.304 3.659 3.960 0.005 0.000 0.298 18 G HA3 -0.304 3.659 3.960 0.005 0.000 0.298 18 G C 0.978 175.878 174.900 0.001 0.000 1.195 18 G CA 0.729 45.828 45.100 -0.002 0.000 0.989 18 G HN 0.972 nan 8.290 nan 0.000 0.551 19 A N -0.607 122.213 122.820 0.001 0.000 2.119 19 A HA 0.449 4.772 4.320 0.005 0.000 0.216 19 A C 1.241 178.830 177.584 0.008 0.000 1.152 19 A CA 1.325 53.365 52.037 0.005 0.000 0.708 19 A CB -0.129 18.874 19.000 0.004 0.000 0.805 19 A HN 0.670 nan 8.150 nan 0.000 0.460 20 I N 1.129 121.703 120.570 0.006 0.000 2.416 20 I HA 0.219 4.392 4.170 0.005 0.000 0.288 20 I C -0.410 175.712 176.117 0.009 0.000 1.051 20 I CA -0.437 60.869 61.300 0.010 0.000 1.375 20 I CB 0.912 38.917 38.000 0.008 0.000 1.407 20 I HN -0.098 nan 8.210 nan 0.000 0.516 21 V N 6.111 126.033 119.914 0.013 0.000 2.483 21 V HA 0.301 4.424 4.120 0.005 0.000 0.297 21 V C -0.592 175.507 176.094 0.008 0.000 1.027 21 V CA -0.836 61.468 62.300 0.007 0.000 0.855 21 V CB 1.974 33.799 31.823 0.004 0.000 0.995 21 V HN 0.542 nan 8.190 nan 0.000 0.424 22 D N 3.536 123.936 120.400 -0.000 0.000 2.359 22 D HA 0.489 5.132 4.640 0.005 0.000 0.230 22 D C -0.440 175.845 176.300 -0.026 0.000 1.118 22 D CA 0.178 54.179 54.000 0.001 0.000 0.844 22 D CB 1.699 42.501 40.800 0.003 0.000 1.059 22 D HN 0.292 nan 8.370 nan 0.000 0.493 23 V N 3.034 122.921 119.914 -0.045 0.000 2.459 23 V HA 0.277 4.400 4.120 0.005 0.000 0.295 23 V C -0.231 175.758 176.094 -0.176 0.000 1.029 23 V CA -0.883 61.320 62.300 -0.163 0.000 0.874 23 V CB 1.518 33.178 31.823 -0.272 0.000 0.985 23 V HN 0.534 nan 8.190 nan 0.000 0.438 24 H N 4.160 123.055 119.070 -0.292 0.000 2.458 24 H HA 0.640 5.199 4.556 0.005 0.000 0.330 24 H C -1.332 173.767 175.328 -0.383 0.000 1.111 24 H CA -0.544 55.377 56.048 -0.213 0.000 1.245 24 H CB 1.006 30.704 29.762 -0.107 0.000 1.456 24 H HN 0.440 nan 8.280 nan 0.000 0.488 25 F N 2.816 122.365 119.950 -0.669 0.000 2.422 25 F HA 0.196 4.725 4.527 0.005 0.000 0.333 25 F C 1.070 176.421 175.800 -0.748 0.000 1.095 25 F CA -0.667 57.019 58.000 -0.523 0.000 1.038 25 F CB 1.787 40.612 39.000 -0.292 0.000 1.156 25 F HN 0.646 nan 8.300 nan 0.000 0.483 26 E N 0.990 121.082 120.200 -0.180 0.000 2.465 26 E HA 0.071 4.424 4.350 0.005 0.000 0.195 26 E C -0.311 176.288 176.600 -0.002 0.000 1.028 26 E CA -0.058 56.301 56.400 -0.068 0.000 0.899 26 E CB 0.181 29.899 29.700 0.031 0.000 1.032 26 E HN 0.631 nan 8.360 nan 0.000 0.468 27 Q N -1.963 117.840 119.800 0.006 0.000 2.385 27 Q HA 0.414 4.757 4.340 0.005 0.000 0.262 27 Q C 0.636 176.620 176.000 -0.027 0.000 1.050 27 Q CA -0.597 55.205 55.803 -0.002 0.000 0.903 27 Q CB 0.967 29.706 28.738 0.000 0.000 1.325 27 Q HN -0.097 nan 8.270 nan 0.000 0.485 28 S N -0.304 115.377 115.700 -0.030 0.000 2.371 28 S HA -0.029 4.444 4.470 0.005 0.000 0.224 28 S C 0.610 175.169 174.600 -0.067 0.000 1.029 28 S CA 1.304 59.483 58.200 -0.035 0.000 0.978 28 S CB -0.367 62.819 63.200 -0.023 0.000 0.833 28 S HN 0.665 nan 8.310 nan 0.000 0.466 29 E N 0.792 120.936 120.200 -0.094 0.000 2.313 29 E HA 0.518 4.871 4.350 0.005 0.000 0.276 29 E C -0.986 175.454 176.600 -0.266 0.000 1.031 29 E CA -0.301 56.015 56.400 -0.139 0.000 0.857 29 E CB 0.429 30.055 29.700 -0.123 0.000 1.040 29 E HN 0.244 nan 8.360 nan 0.000 0.408 30 L N 3.820 124.878 121.223 -0.275 0.000 2.365 30 L HA 0.514 4.856 4.340 0.005 0.000 0.273 30 L C -2.124 174.547 176.870 -0.333 0.000 1.000 30 L CA -2.038 52.532 54.840 -0.450 0.000 0.819 30 L CB 2.196 44.029 42.059 -0.376 0.000 1.284 30 L HN 0.550 nan 8.230 nan 0.000 0.418 31 P HA 0.196 nan 4.420 nan 0.000 0.268 31 P C -0.774 176.566 177.300 0.067 0.000 1.204 31 P CA -0.418 62.568 63.100 -0.189 0.000 0.768 31 P CB 0.791 32.374 31.700 -0.194 0.000 0.842 32 A N 4.289 127.134 122.820 0.042 0.000 2.483 32 A HA 0.155 4.478 4.320 0.005 0.000 0.238 32 A C 0.707 178.306 177.584 0.026 0.000 1.070 32 A CA -0.415 51.642 52.037 0.033 0.000 0.770 32 A CB -0.513 18.470 19.000 -0.028 0.000 1.008 32 A HN 0.572 nan 8.150 nan 0.000 0.497 33 I N 0.974 121.496 120.570 -0.079 0.000 2.880 33 I HA -0.113 4.060 4.170 0.005 0.000 0.296 33 I C 0.880 176.938 176.117 -0.100 0.000 1.220 33 I CA 1.097 62.345 61.300 -0.087 0.000 1.435 33 I CB 0.119 38.020 38.000 -0.166 0.000 1.339 33 I HN 0.760 nan 8.210 nan 0.000 0.583 34 L N 1.700 122.855 121.223 -0.113 0.000 4.800 34 L HA -0.263 4.080 4.340 0.005 0.000 0.400 34 L C 0.180 177.007 176.870 -0.071 0.000 0.857 34 L CA 0.078 54.801 54.840 -0.196 0.000 1.908 34 L CB -1.544 40.296 42.059 -0.365 0.000 1.598 34 L HN 0.675 nan 8.230 nan 0.000 0.593 35 N N 1.323 120.012 118.700 -0.019 0.000 2.492 35 N HA 0.474 5.217 4.740 0.005 0.000 0.260 35 N C 0.302 175.837 175.510 0.041 0.000 1.215 35 N CA 0.897 53.956 53.050 0.015 0.000 0.923 35 N CB 0.936 39.433 38.487 0.016 0.000 1.092 35 N HN 0.303 nan 8.380 nan 0.000 0.448 36 A N 2.790 125.637 122.820 0.045 0.000 2.362 36 A HA 0.526 4.849 4.320 0.005 0.000 0.276 36 A C -0.331 177.287 177.584 0.058 0.000 1.153 36 A CA -0.361 51.707 52.037 0.053 0.000 0.813 36 A CB -0.130 18.898 19.000 0.047 0.000 1.081 36 A HN 0.630 nan 8.150 nan 0.000 0.507 37 L N 2.024 123.288 121.223 0.068 0.000 2.354 37 L HA 0.600 4.943 4.340 0.005 0.000 0.269 37 L C 0.016 176.920 176.870 0.057 0.000 1.005 37 L CA -0.526 54.363 54.840 0.081 0.000 0.819 37 L CB 1.945 44.076 42.059 0.120 0.000 1.311 37 L HN 0.720 nan 8.230 nan 0.000 0.423 38 E N 2.179 122.409 120.200 0.050 0.000 2.244 38 E HA 0.695 5.048 4.350 0.005 0.000 0.266 38 E C -1.250 175.364 176.600 0.023 0.000 0.914 38 E CA -0.716 55.704 56.400 0.033 0.000 0.794 38 E CB 3.142 32.858 29.700 0.028 0.000 1.210 38 E HN 0.395 nan 8.360 nan 0.000 0.414 39 I N 2.084 122.663 120.570 0.015 0.000 2.512 39 I HA 0.214 4.387 4.170 0.005 0.000 0.287 39 I C -0.714 175.406 176.117 0.006 0.000 1.069 39 I CA -0.737 60.566 61.300 0.006 0.000 1.056 39 I CB 1.789 39.789 38.000 0.000 0.000 1.229 39 I HN 0.214 nan 8.210 nan 0.000 0.429 40 K N 4.708 125.111 120.400 0.005 0.000 2.363 40 K HA 0.214 4.537 4.320 0.005 0.000 0.289 40 K C 0.243 176.845 176.600 0.002 0.000 1.063 40 K CA -0.073 56.217 56.287 0.004 0.000 0.967 40 K CB 0.574 33.077 32.500 0.004 0.000 0.987 40 K HN 0.642 nan 8.250 nan 0.000 0.473 41 T N 0.329 114.885 114.554 0.003 0.000 2.927 41 T HA 0.284 4.637 4.350 0.005 0.000 0.281 41 T C -1.495 173.207 174.700 0.002 0.000 0.998 41 T CA -1.985 60.116 62.100 0.002 0.000 1.019 41 T CB 1.163 70.033 68.868 0.003 0.000 1.061 41 T HN 0.220 nan 8.240 nan 0.000 0.518 42 P HA -0.172 nan 4.420 nan 0.000 0.218 42 P C 1.039 178.340 177.300 0.002 0.000 1.152 42 P CA 1.507 64.608 63.100 0.001 0.000 0.857 42 P CB 0.081 31.782 31.700 0.001 0.000 0.787 43 Q N -1.970 117.832 119.800 0.003 0.000 2.481 43 Q HA 0.345 4.688 4.340 0.005 0.000 0.219 43 Q C 1.497 177.499 176.000 0.004 0.000 0.920 43 Q CA 1.044 56.849 55.803 0.004 0.000 0.915 43 Q CB -0.534 28.206 28.738 0.004 0.000 1.057 43 Q HN 0.205 nan 8.270 nan 0.000 0.581 44 G N -0.080 108.723 108.800 0.005 0.000 3.259 44 G HA2 0.607 4.570 3.960 0.005 0.000 0.178 44 G HA3 0.607 4.570 3.960 0.005 0.000 0.178 44 G C -1.241 173.663 174.900 0.007 0.000 1.129 44 G CA -0.709 44.394 45.100 0.006 0.000 0.816 44 G HN -0.074 nan 8.290 nan 0.000 0.634 45 K N -0.147 120.258 120.400 0.008 0.000 2.397 45 K HA 0.482 4.805 4.320 0.005 0.000 0.253 45 K C -1.652 174.955 176.600 0.012 0.000 0.932 45 K CA -0.669 55.623 56.287 0.010 0.000 0.795 45 K CB 2.364 34.870 32.500 0.011 0.000 1.159 45 K HN 0.249 nan 8.250 nan 0.000 0.424 46 L N 4.628 125.858 121.223 0.012 0.000 2.260 46 L HA 0.293 4.636 4.340 0.005 0.000 0.289 46 L C -0.984 175.898 176.870 0.019 0.000 1.057 46 L CA -0.312 54.536 54.840 0.014 0.000 0.811 46 L CB 1.229 43.295 42.059 0.011 0.000 1.184 46 L HN 0.279 nan 8.230 nan 0.000 0.429 47 V N 6.627 126.555 119.914 0.023 0.000 2.498 47 V HA 0.382 4.505 4.120 0.005 0.000 0.279 47 V C 0.319 176.434 176.094 0.035 0.000 1.048 47 V CA -0.453 61.865 62.300 0.030 0.000 0.967 47 V CB 1.090 32.932 31.823 0.032 0.000 0.988 47 V HN 0.630 nan 8.190 nan 0.000 0.473 48 L N 3.854 125.102 121.223 0.042 0.000 2.354 48 L HA 0.692 5.035 4.340 0.005 0.000 0.269 48 L C -0.272 176.633 176.870 0.058 0.000 1.005 48 L CA -0.559 54.309 54.840 0.047 0.000 0.819 48 L CB 2.196 44.282 42.059 0.045 0.000 1.311 48 L HN 0.697 nan 8.230 nan 0.000 0.423 49 E N 1.384 121.619 120.200 0.060 0.000 2.199 49 E HA 0.418 4.771 4.350 0.005 0.000 0.265 49 E C -1.345 175.289 176.600 0.057 0.000 0.882 49 E CA -0.761 55.676 56.400 0.062 0.000 0.759 49 E CB 2.078 31.824 29.700 0.077 0.000 1.148 49 E HN 0.343 nan 8.360 nan 0.000 0.412 50 V N 4.092 124.041 119.914 0.058 0.000 2.529 50 V HA 0.166 4.289 4.120 0.005 0.000 0.292 50 V C 0.896 177.013 176.094 0.037 0.000 1.028 50 V CA 0.964 63.309 62.300 0.076 0.000 1.074 50 V CB 0.604 32.493 31.823 0.110 0.000 0.958 50 V HN 0.900 nan 8.190 nan 0.000 0.481 51 A N 4.119 126.969 122.820 0.050 0.000 2.070 51 A HA 0.309 4.631 4.320 0.005 0.000 0.202 51 A C 0.641 178.239 177.584 0.022 0.000 1.277 51 A CA 0.255 52.304 52.037 0.021 0.000 0.872 51 A CB 0.372 19.388 19.000 0.027 0.000 0.933 51 A HN 0.876 nan 8.150 nan 0.000 0.475 52 Q N -0.947 118.895 119.800 0.069 0.000 2.435 52 Q HA 0.423 4.766 4.340 0.005 0.000 0.282 52 Q C -1.728 174.405 176.000 0.222 0.000 1.020 52 Q CA -0.714 55.138 55.803 0.082 0.000 0.820 52 Q CB 0.868 29.639 28.738 0.054 0.000 1.436 52 Q HN 0.501 nan 8.270 nan 0.000 0.395 53 H N 1.858 120.939 119.070 0.019 0.000 2.640 53 H HA 0.253 4.812 4.556 0.005 0.000 0.297 53 H C 0.589 175.936 175.328 0.032 0.000 1.073 53 H CA -0.418 55.648 56.048 0.030 0.000 1.305 53 H CB 1.268 31.041 29.762 0.019 0.000 1.404 53 H HN 0.498 nan 8.280 nan 0.000 0.459 54 L N 2.882 124.183 121.223 0.130 0.000 2.313 54 L HA 0.106 4.449 4.340 0.005 0.000 0.214 54 L C 1.210 178.122 176.870 0.070 0.000 1.119 54 L CA 0.677 55.567 54.840 0.083 0.000 0.809 54 L CB -0.079 42.017 42.059 0.062 0.000 0.933 54 L HN 0.900 nan 8.230 nan 0.000 0.449 55 G N -0.235 108.609 108.800 0.072 0.000 2.541 55 G HA2 -0.148 3.815 3.960 0.005 0.000 0.686 55 G HA3 -0.148 3.815 3.960 0.005 0.000 0.686 55 G C -0.073 174.863 174.900 0.060 0.000 1.286 55 G CA -0.478 44.658 45.100 0.060 0.000 0.894 55 G HN 0.242 nan 8.290 nan 0.000 0.575 56 E N 0.195 120.430 120.200 0.059 0.000 2.328 56 E HA -0.296 4.057 4.350 0.005 0.000 0.233 56 E C 0.862 177.548 176.600 0.144 0.000 1.219 56 E CA 0.803 57.248 56.400 0.075 0.000 0.717 56 E CB -1.161 28.567 29.700 0.047 0.000 1.210 56 E HN 0.919 nan 8.360 nan 0.000 0.381 57 N N -1.496 117.270 118.700 0.109 0.000 2.753 57 N HA -0.159 4.584 4.740 0.005 0.000 0.251 57 N C -0.506 175.096 175.510 0.154 0.000 1.097 57 N CA 1.688 54.798 53.050 0.100 0.000 0.786 57 N CB -0.902 37.635 38.487 0.082 0.000 1.137 57 N HN 0.205 nan 8.380 nan 0.000 0.566 58 T N 0.516 115.163 114.554 0.155 0.000 2.867 58 T HA 0.544 4.897 4.350 0.005 0.000 0.282 58 T C 0.538 175.277 174.700 0.064 0.000 1.000 58 T CA -0.680 61.500 62.100 0.134 0.000 1.042 58 T CB 2.689 71.626 68.868 0.116 0.000 0.973 58 T HN 0.150 nan 8.240 nan 0.000 0.465 59 V N 1.398 121.362 119.914 0.084 0.000 2.628 59 V HA 0.740 4.863 4.120 0.005 0.000 0.306 59 V C -0.276 175.874 176.094 0.092 0.000 1.045 59 V CA -1.344 61.009 62.300 0.088 0.000 0.905 59 V CB 1.629 33.527 31.823 0.125 0.000 0.997 59 V HN 0.854 nan 8.190 nan 0.000 0.436 60 R N 2.723 123.281 120.500 0.098 0.000 2.312 60 R HA 0.741 5.084 4.340 0.005 0.000 0.311 60 R C -0.191 176.154 176.300 0.075 0.000 1.004 60 R CA 0.307 56.450 56.100 0.071 0.000 0.902 60 R CB 1.442 31.776 30.300 0.057 0.000 1.073 60 R HN 1.139 nan 8.270 nan 0.000 0.457 61 T N 1.422 116.010 114.554 0.057 0.000 2.906 61 T HA 0.506 4.859 4.350 0.005 0.000 0.295 61 T C -0.033 174.691 174.700 0.040 0.000 1.061 61 T CA -0.888 61.245 62.100 0.055 0.000 1.000 61 T CB 1.223 70.128 68.868 0.061 0.000 1.103 61 T HN 0.423 nan 8.240 nan 0.000 0.486 62 I N 1.967 122.562 120.570 0.040 0.000 2.331 62 I HA 0.581 4.753 4.170 0.005 0.000 0.292 62 I C 0.904 177.042 176.117 0.036 0.000 0.998 62 I CA -0.988 60.332 61.300 0.034 0.000 1.267 62 I CB 1.261 39.283 38.000 0.036 0.000 1.386 62 I HN 0.944 nan 8.210 nan 0.000 0.476 63 A N 6.707 129.543 122.820 0.027 0.000 2.386 63 A HA 0.407 4.730 4.320 0.005 0.000 0.248 63 A C 0.786 178.388 177.584 0.030 0.000 1.082 63 A CA -0.208 51.845 52.037 0.026 0.000 0.789 63 A CB 0.450 19.461 19.000 0.018 0.000 1.025 63 A HN 0.783 nan 8.150 nan 0.000 0.490 64 M N 0.336 119.954 119.600 0.030 0.000 2.371 64 M HA 0.212 4.695 4.480 0.005 0.000 0.246 64 M C -0.173 176.142 176.300 0.026 0.000 1.103 64 M CA 0.604 55.923 55.300 0.032 0.000 1.010 64 M CB -0.601 32.020 32.600 0.035 0.000 1.457 64 M HN 0.788 nan 8.290 nan 0.000 0.486 65 D N -1.214 119.198 120.400 0.021 0.000 2.615 65 D HA 0.407 5.050 4.640 0.005 0.000 0.267 65 D C -0.510 175.797 176.300 0.013 0.000 1.236 65 D CA -0.145 53.865 54.000 0.017 0.000 0.839 65 D CB 1.754 42.564 40.800 0.016 0.000 1.380 65 D HN 0.131 nan 8.370 nan 0.000 0.433 66 G N -0.540 108.266 108.800 0.011 0.000 2.474 66 G HA2 0.284 4.247 3.960 0.005 0.000 0.233 66 G HA3 0.284 4.247 3.960 0.005 0.000 0.233 66 G C 0.733 175.636 174.900 0.006 0.000 1.278 66 G CA 0.663 45.768 45.100 0.007 0.000 0.861 66 G HN 0.402 nan 8.290 nan 0.000 0.567 67 T N -1.151 113.406 114.554 0.004 0.000 3.248 67 T HA 0.315 4.668 4.350 0.005 0.000 0.271 67 T C 0.184 174.885 174.700 0.000 0.000 1.005 67 T CA -0.456 61.645 62.100 0.003 0.000 0.902 67 T CB 0.049 68.918 68.868 0.002 0.000 1.102 67 T HN 0.492 nan 8.240 nan 0.000 0.548 68 E N 0.907 121.108 120.200 0.001 0.000 2.383 68 E HA 0.521 4.874 4.350 0.005 0.000 0.264 68 E C 1.480 178.079 176.600 -0.001 0.000 1.050 68 E CA 0.526 56.926 56.400 -0.000 0.000 0.896 68 E CB 0.012 29.712 29.700 0.000 0.000 0.982 68 E HN 0.311 nan 8.360 nan 0.000 0.424 69 G N 1.321 110.119 108.800 -0.002 0.000 2.284 69 G HA2 -0.318 3.645 3.960 0.005 0.000 0.247 69 G HA3 -0.318 3.645 3.960 0.005 0.000 0.247 69 G C 0.189 175.086 174.900 -0.004 0.000 1.012 69 G CA -0.003 45.096 45.100 -0.003 0.000 0.618 69 G HN 0.400 nan 8.290 nan 0.000 0.521 70 L N 1.083 122.303 121.223 -0.005 0.000 2.485 70 L HA 0.421 4.764 4.340 0.005 0.000 0.275 70 L C 0.657 177.521 176.870 -0.010 0.000 1.207 70 L CA -0.018 54.817 54.840 -0.008 0.000 0.855 70 L CB 0.991 43.045 42.059 -0.008 0.000 1.114 70 L HN 0.081 nan 8.230 nan 0.000 0.485 71 V N 3.397 123.303 119.914 -0.012 0.000 2.769 71 V HA 0.418 4.541 4.120 0.005 0.000 0.312 71 V C 0.125 176.208 176.094 -0.018 0.000 1.061 71 V CA -1.028 61.264 62.300 -0.014 0.000 0.931 71 V CB 1.961 33.777 31.823 -0.012 0.000 1.010 71 V HN 0.661 nan 8.190 nan 0.000 0.433 72 R N 1.452 121.941 120.500 -0.019 0.000 2.679 72 R HA 0.416 4.759 4.340 0.005 0.000 0.268 72 R C 1.360 177.644 176.300 -0.025 0.000 1.044 72 R CA 1.165 57.250 56.100 -0.024 0.000 1.105 72 R CB 0.133 30.419 30.300 -0.024 0.000 0.989 72 R HN 1.226 nan 8.270 nan 0.000 0.447 73 G N 0.877 109.658 108.800 -0.031 0.000 2.199 73 G HA2 -0.334 3.629 3.960 0.005 0.000 0.254 73 G HA3 -0.334 3.629 3.960 0.005 0.000 0.254 73 G C 0.131 175.011 174.900 -0.034 0.000 0.982 73 G CA 0.189 45.271 45.100 -0.030 0.000 0.632 73 G HN 0.625 nan 8.290 nan 0.000 0.529 74 E N 0.831 121.010 120.200 -0.035 0.000 2.413 74 E HA 0.347 4.700 4.350 0.005 0.000 0.263 74 E C 0.652 177.224 176.600 -0.047 0.000 1.015 74 E CA -0.255 56.125 56.400 -0.034 0.000 0.916 74 E CB 0.313 29.996 29.700 -0.028 0.000 0.947 74 E HN 0.320 nan 8.360 nan 0.000 0.440 75 K N 2.052 122.430 120.400 -0.036 0.000 2.401 75 K HA 0.155 4.478 4.320 0.005 0.000 0.278 75 K C -1.311 175.265 176.600 -0.040 0.000 1.018 75 K CA -0.198 56.066 56.287 -0.039 0.000 0.981 75 K CB 0.649 33.138 32.500 -0.019 0.000 0.933 75 K HN 0.192 nan 8.250 nan 0.000 0.477 76 V N 5.533 125.414 119.914 -0.055 0.000 2.623 76 V HA 0.285 4.407 4.120 0.005 0.000 0.304 76 V C -1.092 175.020 176.094 0.030 0.000 1.054 76 V CA -1.079 61.201 62.300 -0.033 0.000 0.882 76 V CB 1.436 33.205 31.823 -0.091 0.000 1.002 76 V HN 0.665 nan 8.190 nan 0.000 0.424 77 L N 3.297 124.554 121.223 0.057 0.000 2.289 77 L HA 0.710 5.053 4.340 0.005 0.000 0.285 77 L C -0.233 176.707 176.870 0.116 0.000 1.049 77 L CA 0.247 55.138 54.840 0.085 0.000 0.804 77 L CB 1.375 43.464 42.059 0.050 0.000 1.195 77 L HN 0.740 nan 8.230 nan 0.000 0.428 78 D N 2.269 122.752 120.400 0.138 0.000 2.317 78 D HA 0.130 4.773 4.640 0.005 0.000 0.252 78 D C 1.118 177.443 176.300 0.041 0.000 1.174 78 D CA 0.383 54.437 54.000 0.090 0.000 0.866 78 D CB 1.509 42.321 40.800 0.021 0.000 1.127 78 D HN 0.767 nan 8.370 nan 0.000 0.467 79 T N 1.053 115.628 114.554 0.036 0.000 3.023 79 T HA 0.170 4.523 4.350 0.005 0.000 0.266 79 T C 1.578 176.283 174.700 0.009 0.000 1.093 79 T CA 0.762 62.876 62.100 0.022 0.000 1.129 79 T CB -0.149 68.733 68.868 0.024 0.000 0.899 79 T HN 0.708 nan 8.240 nan 0.000 0.491 80 G N -0.007 108.794 108.800 0.001 0.000 2.213 80 G HA2 0.113 4.076 3.960 0.005 0.000 0.236 80 G HA3 0.113 4.076 3.960 0.005 0.000 0.236 80 G C 0.369 175.265 174.900 -0.007 0.000 0.991 80 G CA -0.310 44.783 45.100 -0.012 0.000 0.629 80 G HN 1.298 nan 8.290 nan 0.000 0.517 81 G N -0.865 107.937 108.800 0.003 0.000 2.684 81 G HA2 0.735 4.698 3.960 0.005 0.000 0.290 81 G HA3 0.735 4.698 3.960 0.005 0.000 0.290 81 G C -3.232 171.681 174.900 0.022 0.000 1.425 81 G CA -0.682 44.423 45.100 0.009 0.000 0.822 81 G HN 0.150 nan 8.290 nan 0.000 0.482 82 P HA 0.171 nan 4.420 nan 0.000 0.269 82 P C 0.303 177.649 177.300 0.075 0.000 1.217 82 P CA -0.189 62.952 63.100 0.069 0.000 0.783 82 P CB 0.527 32.293 31.700 0.109 0.000 0.898 83 I N 0.802 121.431 120.570 0.099 0.000 2.906 83 I HA -0.103 4.070 4.170 0.005 0.000 0.301 83 I C 0.790 176.931 176.117 0.040 0.000 1.221 83 I CA 1.302 62.642 61.300 0.065 0.000 1.435 83 I CB -0.285 37.757 38.000 0.070 0.000 1.345 83 I HN 0.234 nan 8.210 nan 0.000 0.558 84 S N 5.414 121.123 115.700 0.015 0.000 2.537 84 S HA 0.704 5.177 4.470 0.005 0.000 0.301 84 S C -0.441 174.143 174.600 -0.026 0.000 1.092 84 S CA -0.741 57.455 58.200 -0.007 0.000 1.048 84 S CB 2.030 65.225 63.200 -0.008 0.000 1.053 84 S HN 0.483 nan 8.310 nan 0.000 0.501 85 V N 0.681 120.566 119.914 -0.048 0.000 2.914 85 V HA 0.750 4.873 4.120 0.005 0.000 0.314 85 V C -3.094 172.942 176.094 -0.097 0.000 1.084 85 V CA -3.119 59.143 62.300 -0.064 0.000 0.963 85 V CB 1.247 33.030 31.823 -0.066 0.000 1.025 85 V HN 0.534 nan 8.190 nan 0.000 0.432 86 P HA 0.351 nan 4.420 nan 0.000 0.268 86 P C -0.489 176.686 177.300 -0.208 0.000 1.205 86 P CA 0.230 63.247 63.100 -0.138 0.000 0.771 86 P CB 0.875 32.516 31.700 -0.099 0.000 0.858 87 V N -0.303 119.402 119.914 -0.348 0.000 3.160 87 V HA 1.008 5.130 4.120 0.005 0.000 0.310 87 V C 0.081 175.749 176.094 -0.709 0.000 1.181 87 V CA -0.239 61.698 62.300 -0.605 0.000 1.047 87 V CB 1.336 32.573 31.823 -0.978 0.000 1.068 87 V HN 0.944 nan 8.190 nan 0.000 0.441 88 G N 1.699 110.010 108.800 -0.816 0.000 2.566 88 G HA2 -0.108 3.855 3.960 0.005 0.000 0.599 88 G HA3 -0.108 3.855 3.960 0.005 0.000 0.599 88 G C -0.025 174.806 174.900 -0.115 0.000 1.292 88 G CA 0.080 44.934 45.100 -0.410 0.000 0.922 88 G HN 1.016 nan 8.290 nan 0.000 0.514 89 R N 0.188 120.737 120.500 0.082 0.000 2.193 89 R HA -0.016 4.327 4.340 0.005 0.000 0.229 89 R C 2.067 178.392 176.300 0.042 0.000 1.110 89 R CA 1.370 57.567 56.100 0.161 0.000 0.988 89 R CB -0.106 30.296 30.300 0.169 0.000 0.871 89 R HN 0.525 nan 8.270 nan 0.000 0.458 90 E N 0.040 120.242 120.200 0.005 0.000 2.331 90 E HA -0.156 4.197 4.350 0.005 0.000 0.199 90 E C 1.698 178.285 176.600 -0.022 0.000 1.008 90 E CA 1.755 58.144 56.400 -0.018 0.000 0.843 90 E CB 0.031 29.705 29.700 -0.043 0.000 0.761 90 E HN 0.532 nan 8.360 nan 0.000 0.507 91 T N -2.274 112.276 114.554 -0.008 0.000 3.040 91 T HA 0.115 4.468 4.350 0.005 0.000 0.252 91 T C 1.231 175.917 174.700 -0.023 0.000 1.064 91 T CA -0.234 61.859 62.100 -0.011 0.000 1.110 91 T CB -0.124 68.751 68.868 0.013 0.000 0.921 91 T HN -0.073 nan 8.240 nan 0.000 0.480 92 L N 2.187 123.378 121.223 -0.053 0.000 2.540 92 L HA 0.412 4.755 4.340 0.005 0.000 0.276 92 L C 1.805 178.644 176.870 -0.052 0.000 1.212 92 L CA 1.015 55.785 54.840 -0.117 0.000 0.893 92 L CB -0.150 41.744 42.059 -0.276 0.000 1.138 92 L HN 0.562 nan 8.230 nan 0.000 0.491 93 G N 1.622 110.412 108.800 -0.017 0.000 2.284 93 G HA2 -0.228 3.735 3.960 0.005 0.000 0.247 93 G HA3 -0.228 3.735 3.960 0.005 0.000 0.247 93 G C 0.365 175.309 174.900 0.072 0.000 1.012 93 G CA -0.374 44.752 45.100 0.044 0.000 0.618 93 G HN 0.474 nan 8.290 nan 0.000 0.521 94 R N 0.353 120.863 120.500 0.016 0.000 2.428 94 R HA 0.640 4.983 4.340 0.005 0.000 0.294 94 R C 0.319 176.583 176.300 -0.060 0.000 1.000 94 R CA -0.876 55.220 56.100 -0.008 0.000 0.960 94 R CB 0.870 31.160 30.300 -0.016 0.000 1.076 94 R HN 0.347 nan 8.270 nan 0.000 0.475 95 I N 4.066 124.566 120.570 -0.117 0.000 2.371 95 I HA 0.271 4.444 4.170 0.005 0.000 0.290 95 I C 0.294 176.365 176.117 -0.077 0.000 1.028 95 I CA -0.268 60.948 61.300 -0.140 0.000 1.345 95 I CB 0.651 38.524 38.000 -0.211 0.000 1.407 95 I HN 0.296 nan 8.210 nan 0.000 0.501 96 I N 5.921 126.443 120.570 -0.079 0.000 2.603 96 I HA 0.307 4.480 4.170 0.005 0.000 0.300 96 I C 0.278 176.379 176.117 -0.026 0.000 1.017 96 I CA -0.598 60.671 61.300 -0.051 0.000 1.098 96 I CB 1.647 39.611 38.000 -0.061 0.000 1.279 96 I HN 0.524 nan 8.210 nan 0.000 0.437 97 N N 2.292 120.989 118.700 -0.006 0.000 2.328 97 N HA 0.105 4.848 4.740 0.005 0.000 0.277 97 N C 0.780 176.292 175.510 0.003 0.000 1.286 97 N CA -0.087 52.972 53.050 0.015 0.000 0.949 97 N CB 0.912 39.407 38.487 0.013 0.000 1.136 97 N HN 0.445 nan 8.380 nan 0.000 0.550 98 V N 0.630 120.553 119.914 0.015 0.000 2.591 98 V HA 0.020 4.143 4.120 0.005 0.000 0.249 98 V C 1.432 177.525 176.094 -0.003 0.000 1.053 98 V CA 1.586 63.889 62.300 0.006 0.000 1.068 98 V CB -0.550 31.286 31.823 0.021 0.000 0.689 98 V HN 0.626 nan 8.190 nan 0.000 0.462 99 I N -1.625 118.948 120.570 0.004 0.000 3.855 99 I HA 0.589 4.762 4.170 0.005 0.000 0.327 99 I C 1.353 177.466 176.117 -0.008 0.000 1.359 99 I CA 0.580 61.881 61.300 0.002 0.000 1.142 99 I CB -0.204 37.803 38.000 0.012 0.000 1.041 99 I HN 0.281 nan 8.210 nan 0.000 0.403 100 G N 0.737 109.527 108.800 -0.017 0.000 2.176 100 G HA2 -0.255 3.708 3.960 0.005 0.000 0.253 100 G HA3 -0.255 3.708 3.960 0.005 0.000 0.253 100 G C 0.000 174.886 174.900 -0.024 0.000 0.979 100 G CA -0.037 45.046 45.100 -0.028 0.000 0.641 100 G HN 0.597 nan 8.290 nan 0.000 0.530 101 E N 1.828 122.020 120.200 -0.013 0.000 2.366 101 E HA 0.371 4.724 4.350 0.005 0.000 0.266 101 E C -2.078 174.515 176.600 -0.012 0.000 1.051 101 E CA -1.577 54.817 56.400 -0.010 0.000 0.884 101 E CB 1.153 30.851 29.700 -0.002 0.000 1.006 101 E HN 0.209 nan 8.360 nan 0.000 0.417 102 P HA 0.052 nan 4.420 nan 0.000 0.275 102 P C -0.092 177.204 177.300 -0.008 0.000 1.227 102 P CA 0.330 63.421 63.100 -0.014 0.000 0.781 102 P CB 0.352 32.045 31.700 -0.011 0.000 0.906 103 I N -0.944 119.619 120.570 -0.012 0.000 3.658 103 I HA 0.291 4.464 4.170 0.005 0.000 0.328 103 I C -0.004 176.099 176.117 -0.024 0.000 1.567 103 I CA -0.356 60.941 61.300 -0.006 0.000 1.078 103 I CB 0.036 38.044 38.000 0.013 0.000 1.267 103 I HN 0.017 nan 8.210 nan 0.000 0.495 104 D N 0.123 120.505 120.400 -0.029 0.000 2.501 104 D HA 0.063 4.706 4.640 0.005 0.000 0.226 104 D C 0.506 176.827 176.300 0.035 0.000 1.198 104 D CA -0.342 53.644 54.000 -0.022 0.000 0.830 104 D CB 0.000 40.767 40.800 -0.055 0.000 1.014 104 D HN 0.424 nan 8.370 nan 0.000 0.496 105 E N -0.307 119.907 120.200 0.024 0.000 2.805 105 E HA -0.278 4.075 4.350 0.005 0.000 0.266 105 E C 0.066 176.685 176.600 0.032 0.000 1.092 105 E CA 0.453 56.870 56.400 0.028 0.000 0.781 105 E CB -0.878 28.843 29.700 0.034 0.000 1.379 105 E HN 0.358 nan 8.360 nan 0.000 0.433 106 R N -0.219 120.299 120.500 0.031 0.000 2.791 106 R HA 0.287 4.630 4.340 0.005 0.000 0.357 106 R C 0.881 177.192 176.300 0.018 0.000 1.173 106 R CA 0.215 56.333 56.100 0.030 0.000 1.060 106 R CB 0.775 31.101 30.300 0.043 0.000 1.406 106 R HN 0.312 nan 8.270 nan 0.000 0.580 107 G N 1.909 110.717 108.800 0.013 0.000 2.601 107 G HA2 -0.298 3.665 3.960 0.005 0.000 0.261 107 G HA3 -0.298 3.665 3.960 0.005 0.000 0.261 107 G C -2.187 172.715 174.900 0.003 0.000 1.289 107 G CA -0.975 44.129 45.100 0.007 0.000 0.920 107 G HN 0.187 nan 8.290 nan 0.000 0.571 108 P HA 0.431 nan 4.420 nan 0.000 0.270 108 P C -0.008 177.288 177.300 -0.008 0.000 1.223 108 P CA -0.078 63.019 63.100 -0.005 0.000 0.785 108 P CB 0.344 32.041 31.700 -0.005 0.000 0.923 109 I N 1.587 122.147 120.570 -0.015 0.000 2.412 109 I HA 0.208 4.381 4.170 0.005 0.000 0.279 109 I C 0.432 176.534 176.117 -0.026 0.000 1.063 109 I CA -0.477 60.810 61.300 -0.021 0.000 1.193 109 I CB 0.384 38.365 38.000 -0.031 0.000 1.370 109 I HN 0.073 nan 8.210 nan 0.000 0.479 110 K N 4.873 125.261 120.400 -0.019 0.000 2.079 110 K HA 0.117 4.440 4.320 0.005 0.000 0.255 110 K C 0.257 176.839 176.600 -0.029 0.000 1.114 110 K CA -0.150 56.125 56.287 -0.020 0.000 1.056 110 K CB 0.123 32.616 32.500 -0.011 0.000 1.176 110 K HN 0.637 nan 8.250 nan 0.000 0.353 111 S N 1.469 117.143 115.700 -0.044 0.000 2.610 111 S HA 0.198 4.671 4.470 0.005 0.000 0.273 111 S C 0.795 175.361 174.600 -0.058 0.000 1.274 111 S CA -0.939 57.221 58.200 -0.067 0.000 1.023 111 S CB 1.769 64.906 63.200 -0.104 0.000 0.962 111 S HN 0.408 nan 8.310 nan 0.000 0.523 112 K N 0.552 120.915 120.400 -0.062 0.000 2.026 112 K HA 0.127 4.450 4.320 0.005 0.000 0.208 112 K C 0.257 176.830 176.600 -0.045 0.000 1.048 112 K CA 1.038 57.305 56.287 -0.034 0.000 0.929 112 K CB -0.442 32.057 32.500 -0.002 0.000 0.713 112 K HN 0.489 nan 8.250 nan 0.000 0.439 113 L N -0.786 120.375 121.223 -0.102 0.000 2.301 113 L HA 0.466 4.809 4.340 0.005 0.000 0.249 113 L C -0.701 176.082 176.870 -0.145 0.000 1.069 113 L CA -1.175 53.606 54.840 -0.098 0.000 0.865 113 L CB 2.239 44.265 42.059 -0.055 0.000 1.467 113 L HN -0.122 nan 8.230 nan 0.000 0.419 114 R N 1.184 121.622 120.500 -0.102 0.000 2.576 114 R HA 0.324 4.667 4.340 0.005 0.000 0.283 114 R C -1.172 175.087 176.300 -0.069 0.000 1.493 114 R CA -0.639 55.403 56.100 -0.097 0.000 1.170 114 R CB 1.737 32.001 30.300 -0.062 0.000 1.189 114 R HN 0.455 nan 8.270 nan 0.000 0.542 115 K N 2.745 123.093 120.400 -0.088 0.000 2.202 115 K HA 0.275 4.598 4.320 0.005 0.000 0.264 115 K C -2.211 174.375 176.600 -0.024 0.000 1.010 115 K CA -1.627 54.639 56.287 -0.036 0.000 0.940 115 K CB 0.701 33.190 32.500 -0.019 0.000 0.983 115 K HN 0.172 nan 8.250 nan 0.000 0.475 116 P HA 0.078 nan 4.420 nan 0.000 0.284 116 P C 0.600 177.902 177.300 0.003 0.000 1.253 116 P CA -0.255 62.857 63.100 0.019 0.000 0.800 116 P CB 0.416 32.144 31.700 0.048 0.000 0.961 117 I N -0.602 119.952 120.570 -0.026 0.000 2.493 117 I HA -0.056 4.117 4.170 0.005 0.000 0.254 117 I C 0.562 176.555 176.117 -0.206 0.000 1.160 117 I CA 0.976 62.197 61.300 -0.132 0.000 1.445 117 I CB -0.873 37.009 38.000 -0.197 0.000 1.086 117 I HN 0.261 nan 8.210 nan 0.000 0.433 118 H N 2.905 121.969 119.070 -0.009 0.000 2.761 118 H HA 0.701 5.260 4.556 0.005 0.000 0.284 118 H C -0.313 175.011 175.328 -0.007 0.000 1.105 118 H CA -0.074 55.970 56.048 -0.007 0.000 1.352 118 H CB 0.933 30.695 29.762 0.000 0.000 1.423 118 H HN 0.433 nan 8.280 nan 0.000 0.464 119 A N 3.558 126.420 122.820 0.071 0.000 2.454 119 A HA 0.334 4.656 4.320 0.005 0.000 0.302 119 A C -0.651 176.956 177.584 0.038 0.000 1.079 119 A CA -1.023 51.042 52.037 0.046 0.000 0.731 119 A CB 1.337 20.349 19.000 0.021 0.000 1.299 119 A HN 0.496 nan 8.150 nan 0.000 0.413 120 D N 2.982 123.400 120.400 0.031 0.000 2.390 120 D HA 0.386 5.029 4.640 0.005 0.000 0.249 120 D C -2.021 174.288 176.300 0.016 0.000 1.144 120 D CA -0.579 53.437 54.000 0.025 0.000 0.880 120 D CB 0.472 41.286 40.800 0.023 0.000 1.182 120 D HN 0.294 nan 8.370 nan 0.000 0.451 121 P HA 0.119 nan 4.420 nan 0.000 0.267 121 P C -2.467 174.842 177.300 0.015 0.000 1.200 121 P CA -0.972 62.132 63.100 0.008 0.000 0.772 121 P CB -0.454 31.253 31.700 0.011 0.000 0.855 122 P HA -0.062 nan 4.420 nan 0.000 0.263 122 P C 0.688 178.003 177.300 0.026 0.000 1.168 122 P CA 0.501 63.605 63.100 0.007 0.000 0.759 122 P CB 0.100 31.795 31.700 -0.008 0.000 0.782 123 S N 3.100 118.819 115.700 0.032 0.000 2.598 123 S HA 0.025 4.497 4.470 0.005 0.000 0.256 123 S C 1.009 175.663 174.600 0.090 0.000 1.350 123 S CA -0.277 57.965 58.200 0.070 0.000 0.984 123 S CB -0.074 63.167 63.200 0.067 0.000 0.930 123 S HN 0.412 nan 8.310 nan 0.000 0.577 124 F N 1.387 121.339 119.950 0.004 0.000 2.146 124 F HA 0.104 4.634 4.527 0.005 0.000 0.298 124 F C 2.328 178.129 175.800 0.002 0.000 1.096 124 F CA 1.613 59.615 58.000 0.004 0.000 1.275 124 F CB -0.916 38.087 39.000 0.005 0.000 1.008 124 F HN 0.685 nan 8.300 nan 0.000 0.480 125 A N -0.270 122.547 122.820 -0.004 0.000 2.119 125 A HA -0.047 4.275 4.320 0.005 0.000 0.216 125 A C 1.937 179.445 177.584 -0.128 0.000 1.152 125 A CA 1.080 53.051 52.037 -0.110 0.000 0.708 125 A CB -0.726 18.305 19.000 0.052 0.000 0.805 125 A HN 0.560 nan 8.150 nan 0.000 0.460 126 E N 0.204 120.353 120.200 -0.085 0.000 2.482 126 E HA -0.037 4.316 4.350 0.005 0.000 0.196 126 E C 0.048 176.586 176.600 -0.103 0.000 1.047 126 E CA -0.016 56.341 56.400 -0.071 0.000 0.869 126 E CB 0.089 29.769 29.700 -0.033 0.000 0.836 126 E HN 0.578 nan 8.360 nan 0.000 0.520 127 Q N 0.505 120.200 119.800 -0.174 0.000 2.373 127 Q HA 0.202 4.545 4.340 0.005 0.000 0.255 127 Q C -0.398 175.505 176.000 -0.161 0.000 0.980 127 Q CA 0.291 55.988 55.803 -0.176 0.000 0.882 127 Q CB 1.780 30.363 28.738 -0.258 0.000 1.249 127 Q HN -0.104 nan 8.270 nan 0.000 0.438 128 S N 0.640 116.275 115.700 -0.110 0.000 2.614 128 S HA 0.500 4.973 4.470 0.005 0.000 0.288 128 S C -0.891 173.670 174.600 -0.066 0.000 1.137 128 S CA -0.544 57.604 58.200 -0.088 0.000 0.992 128 S CB 1.023 64.184 63.200 -0.064 0.000 1.026 128 S HN 0.626 nan 8.310 nan 0.000 0.486 129 T N 1.034 115.551 114.554 -0.062 0.000 2.912 129 T HA 0.927 5.279 4.350 0.005 0.000 0.288 129 T C -0.247 174.436 174.700 -0.027 0.000 1.030 129 T CA -0.607 61.468 62.100 -0.041 0.000 1.020 129 T CB 1.581 70.424 68.868 -0.040 0.000 1.056 129 T HN 0.708 nan 8.240 nan 0.000 0.480 130 S N -0.301 115.390 115.700 -0.016 0.000 2.727 130 S HA 0.804 5.276 4.470 0.005 0.000 0.278 130 S C -1.072 173.527 174.600 -0.001 0.000 1.186 130 S CA -0.768 57.427 58.200 -0.009 0.000 0.836 130 S CB 1.063 64.259 63.200 -0.008 0.000 1.186 130 S HN 1.737 nan 8.310 nan 0.000 0.499 131 A N 0.435 123.256 122.820 0.003 0.000 3.300 131 A HA 0.676 4.999 4.320 0.005 0.000 0.300 131 A C -0.757 176.833 177.584 0.010 0.000 1.099 131 A CA -0.279 51.763 52.037 0.008 0.000 0.846 131 A CB 0.087 19.089 19.000 0.004 0.000 1.255 131 A HN 0.643 nan 8.150 nan 0.000 0.519 132 E N 1.279 121.489 120.200 0.016 0.000 2.158 132 E HA 0.540 4.893 4.350 0.005 0.000 0.271 132 E C -0.920 175.700 176.600 0.033 0.000 0.911 132 E CA -0.726 55.687 56.400 0.021 0.000 0.767 132 E CB 1.062 30.773 29.700 0.019 0.000 1.120 132 E HN 0.536 nan 8.360 nan 0.000 0.405 133 I N 4.150 124.739 120.570 0.032 0.000 2.618 133 I HA -0.030 4.143 4.170 0.005 0.000 0.284 133 I C -0.215 175.935 176.117 0.055 0.000 1.146 133 I CA 0.123 61.450 61.300 0.044 0.000 1.425 133 I CB 0.503 38.523 38.000 0.034 0.000 1.383 133 I HN 0.428 nan 8.210 nan 0.000 0.562 134 L N 7.799 129.071 121.223 0.081 0.000 2.264 134 L HA 0.368 4.711 4.340 0.005 0.000 0.287 134 L C 0.175 177.088 176.870 0.072 0.000 1.039 134 L CA -0.102 54.790 54.840 0.086 0.000 0.829 134 L CB 0.485 42.614 42.059 0.117 0.000 1.211 134 L HN 0.584 nan 8.230 nan 0.000 0.427 135 E N 1.900 122.126 120.200 0.043 0.000 2.415 135 E HA 0.094 4.447 4.350 0.005 0.000 0.262 135 E C 0.211 176.817 176.600 0.010 0.000 1.038 135 E CA 0.862 57.271 56.400 0.015 0.000 0.921 135 E CB 0.771 30.480 29.700 0.016 0.000 0.950 135 E HN 0.808 nan 8.360 nan 0.000 0.438 136 T N -0.131 114.404 114.554 -0.031 0.000 2.969 136 T HA 0.279 4.632 4.350 0.005 0.000 0.258 136 T C 1.231 175.877 174.700 -0.089 0.000 0.962 136 T CA 0.207 62.281 62.100 -0.043 0.000 0.903 136 T CB 0.568 69.392 68.868 -0.074 0.000 1.177 136 T HN 0.728 nan 8.240 nan 0.000 0.511 137 G N 2.114 110.868 108.800 -0.075 0.000 2.155 137 G HA2 -0.213 3.750 3.960 0.005 0.000 0.257 137 G HA3 -0.213 3.750 3.960 0.005 0.000 0.257 137 G C -0.021 174.822 174.900 -0.096 0.000 0.983 137 G CA 0.316 45.367 45.100 -0.082 0.000 0.676 137 G HN 0.700 nan 8.290 nan 0.000 0.528 138 I N 0.364 120.880 120.570 -0.090 0.000 2.405 138 I HA 0.254 4.427 4.170 0.005 0.000 0.280 138 I C 1.539 177.649 176.117 -0.011 0.000 1.027 138 I CA -0.914 60.367 61.300 -0.032 0.000 1.161 138 I CB 1.217 39.197 38.000 -0.033 0.000 1.300 138 I HN -0.037 nan 8.210 nan 0.000 0.463 139 K N 2.999 123.399 120.400 -0.001 0.000 2.066 139 K HA -0.255 4.068 4.320 0.005 0.000 0.221 139 K C 1.804 178.333 176.600 -0.119 0.000 1.056 139 K CA 2.151 58.400 56.287 -0.064 0.000 0.950 139 K CB -0.346 32.133 32.500 -0.034 0.000 0.726 139 K HN 0.545 nan 8.250 nan 0.000 0.456 140 V N 0.788 120.678 119.914 -0.041 0.000 2.231 140 V HA -0.268 3.855 4.120 0.005 0.000 0.248 140 V C 2.383 178.438 176.094 -0.065 0.000 1.054 140 V CA 2.054 64.321 62.300 -0.055 0.000 1.015 140 V CB -0.857 31.003 31.823 0.061 0.000 0.638 140 V HN 0.112 nan 8.190 nan 0.000 0.444 141 V N 0.663 120.561 119.914 -0.026 0.000 2.233 141 V HA -0.279 3.844 4.120 0.005 0.000 0.247 141 V C 2.438 178.439 176.094 -0.156 0.000 1.050 141 V CA 2.453 64.671 62.300 -0.136 0.000 1.010 141 V CB -0.909 30.715 31.823 -0.332 0.000 0.637 141 V HN 0.529 nan 8.190 nan 0.000 0.444 142 D N -0.163 120.156 120.400 -0.135 0.000 2.116 142 D HA -0.181 4.462 4.640 0.005 0.000 0.193 142 D C 1.918 178.210 176.300 -0.014 0.000 0.998 142 D CA 1.545 55.502 54.000 -0.073 0.000 0.836 142 D CB -0.389 40.371 40.800 -0.067 0.000 0.951 142 D HN 0.366 nan 8.370 nan 0.000 0.449 143 L N -0.060 121.089 121.223 -0.123 0.000 1.993 143 L HA -0.042 4.301 4.340 0.005 0.000 0.206 143 L C 2.151 178.996 176.870 -0.042 0.000 1.074 143 L CA 1.477 56.217 54.840 -0.166 0.000 0.746 143 L CB -0.432 41.357 42.059 -0.449 0.000 0.896 143 L HN -0.011 nan 8.230 nan 0.000 0.435 144 L N -0.792 120.362 121.223 -0.114 0.000 2.168 144 L HA 0.236 4.579 4.340 0.005 0.000 0.203 144 L C 0.813 177.658 176.870 -0.043 0.000 1.078 144 L CA 0.586 55.371 54.840 -0.091 0.000 0.780 144 L CB -0.260 41.730 42.059 -0.115 0.000 0.939 144 L HN 0.309 nan 8.230 nan 0.000 0.451 145 A N 0.455 123.260 122.820 -0.026 0.000 3.127 145 A HA 0.468 4.790 4.320 0.005 0.000 0.319 145 A C -2.628 174.963 177.584 0.012 0.000 1.104 145 A CA -1.012 51.035 52.037 0.016 0.000 0.802 145 A CB -0.048 18.986 19.000 0.057 0.000 1.193 145 A HN -0.138 nan 8.150 nan 0.000 0.479 146 P HA 0.260 nan 4.420 nan 0.000 0.274 146 P C -0.909 176.465 177.300 0.122 0.000 1.231 146 P CA 0.136 63.213 63.100 -0.038 0.000 0.790 146 P CB 0.635 32.331 31.700 -0.008 0.000 0.951 147 Y N 0.131 120.467 120.300 0.059 0.000 2.301 147 Y HA 0.412 4.965 4.550 0.005 0.000 0.328 147 Y C 1.129 177.046 175.900 0.029 0.000 1.242 147 Y CA -1.525 56.605 58.100 0.051 0.000 1.323 147 Y CB 0.007 38.505 38.460 0.064 0.000 1.266 147 Y HN 0.384 nan 8.280 nan 0.000 0.527 148 A N 3.527 126.459 122.820 0.187 0.000 2.328 148 A HA 0.468 4.791 4.320 0.005 0.000 0.284 148 A C 0.278 177.898 177.584 0.059 0.000 1.160 148 A CA -0.789 51.301 52.037 0.090 0.000 0.818 148 A CB 0.099 19.131 19.000 0.053 0.000 1.087 148 A HN 0.817 nan 8.150 nan 0.000 0.504 149 R N 1.864 122.390 120.500 0.043 0.000 2.347 149 R HA 0.396 4.739 4.340 0.005 0.000 0.304 149 R C 1.199 177.497 176.300 -0.003 0.000 1.072 149 R CA 1.331 57.443 56.100 0.019 0.000 0.980 149 R CB 0.143 30.457 30.300 0.025 0.000 0.986 149 R HN 1.608 nan 8.270 nan 0.000 0.448 150 G N 2.441 111.225 108.800 -0.027 0.000 2.168 150 G HA2 -0.249 3.714 3.960 0.005 0.000 0.257 150 G HA3 -0.249 3.714 3.960 0.005 0.000 0.257 150 G C 0.181 175.058 174.900 -0.039 0.000 0.997 150 G CA 0.172 45.250 45.100 -0.036 0.000 0.708 150 G HN 0.911 nan 8.290 nan 0.000 0.520 151 G N -1.113 107.662 108.800 -0.041 0.000 2.820 151 G HA2 0.678 4.641 3.960 0.005 0.000 0.291 151 G HA3 0.678 4.641 3.960 0.005 0.000 0.291 151 G C -0.500 174.356 174.900 -0.073 0.000 1.323 151 G CA -0.873 44.204 45.100 -0.038 0.000 1.055 151 G HN 0.326 nan 8.290 nan 0.000 0.520 152 K N -0.472 119.892 120.400 -0.059 0.000 2.185 152 K HA 0.597 4.920 4.320 0.005 0.000 0.269 152 K C -0.791 175.747 176.600 -0.105 0.000 0.987 152 K CA -0.131 56.102 56.287 -0.089 0.000 0.865 152 K CB 1.886 34.355 32.500 -0.052 0.000 1.090 152 K HN 0.268 nan 8.250 nan 0.000 0.450 153 I N 1.166 121.625 120.570 -0.186 0.000 2.545 153 I HA 0.445 4.618 4.170 0.005 0.000 0.292 153 I C -0.011 175.965 176.117 -0.236 0.000 1.040 153 I CA -0.764 60.371 61.300 -0.275 0.000 1.068 153 I CB 2.411 40.059 38.000 -0.587 0.000 1.251 153 I HN 0.627 nan 8.210 nan 0.000 0.424 154 G N 6.198 114.891 108.800 -0.178 0.000 2.530 154 G HA2 0.703 4.666 3.960 0.005 0.000 0.316 154 G HA3 0.703 4.666 3.960 0.005 0.000 0.316 154 G C -1.029 173.731 174.900 -0.234 0.000 1.298 154 G CA -0.493 44.451 45.100 -0.259 0.000 0.948 154 G HN 0.442 nan 8.290 nan 0.000 0.486 155 L N 2.543 123.561 121.223 -0.342 0.000 2.313 155 L HA 0.404 4.747 4.340 0.005 0.000 0.273 155 L C -0.787 175.908 176.870 -0.290 0.000 1.028 155 L CA -0.567 54.131 54.840 -0.238 0.000 0.871 155 L CB 0.649 42.608 42.059 -0.167 0.000 1.242 155 L HN 0.349 nan 8.230 nan 0.000 0.434 156 F N 1.428 121.319 119.950 -0.099 0.000 2.410 156 F HA 0.687 5.217 4.527 0.005 0.000 0.348 156 F C 1.020 176.776 175.800 -0.072 0.000 1.106 156 F CA -0.174 57.777 58.000 -0.081 0.000 1.163 156 F CB 1.844 40.816 39.000 -0.047 0.000 1.129 156 F HN 0.413 nan 8.300 nan 0.000 0.516 157 G N 1.280 110.121 108.800 0.068 0.000 2.702 157 G HA2 0.480 4.443 3.960 0.005 0.000 0.296 157 G HA3 0.480 4.443 3.960 0.005 0.000 0.296 157 G C -0.644 174.188 174.900 -0.114 0.000 1.463 157 G CA -0.456 44.644 45.100 0.000 0.000 0.890 157 G HN 0.919 nan 8.290 nan 0.000 0.534 158 G N -0.340 108.376 108.800 -0.140 0.000 2.631 158 G HA2 0.625 4.588 3.960 0.005 0.000 0.271 158 G HA3 0.625 4.588 3.960 0.005 0.000 0.271 158 G C 0.832 175.640 174.900 -0.153 0.000 1.302 158 G CA 0.391 45.336 45.100 -0.257 0.000 1.002 158 G HN 1.711 nan 8.290 nan 0.000 0.519 159 A N -1.168 121.587 122.820 -0.108 0.000 2.545 159 A HA 0.501 4.824 4.320 0.005 0.000 0.253 159 A C 1.579 179.203 177.584 0.066 0.000 1.074 159 A CA 1.154 53.252 52.037 0.102 0.000 0.760 159 A CB -0.750 18.352 19.000 0.171 0.000 1.005 159 A HN 2.572 nan 8.150 nan 0.000 0.506 160 G N 0.917 109.767 108.800 0.083 0.000 2.148 160 G HA2 -0.206 3.757 3.960 0.005 0.000 0.254 160 G HA3 -0.206 3.757 3.960 0.005 0.000 0.254 160 G C 0.775 175.715 174.900 0.067 0.000 0.981 160 G CA 0.848 45.985 45.100 0.062 0.000 0.670 160 G HN 2.143 nan 8.290 nan 0.000 0.528 161 V N -2.789 117.165 119.914 0.065 0.000 3.541 161 V HA 0.589 4.712 4.120 0.005 0.000 0.267 161 V C 1.711 177.885 176.094 0.134 0.000 1.213 161 V CA 1.245 63.595 62.300 0.083 0.000 1.149 161 V CB 0.021 31.862 31.823 0.030 0.000 0.822 161 V HN 2.200 nan 8.190 nan 0.000 0.462 162 G N 0.393 109.262 108.800 0.116 0.000 2.189 162 G HA2 -0.165 3.798 3.960 0.005 0.000 0.113 162 G HA3 -0.165 3.798 3.960 0.005 0.000 0.113 162 G C 0.427 175.437 174.900 0.183 0.000 1.038 162 G CA 0.161 45.344 45.100 0.139 0.000 0.704 162 G HN 0.444 nan 8.290 nan 0.000 0.490 163 K N -0.274 120.211 120.400 0.142 0.000 2.009 163 K HA -0.083 4.240 4.320 0.005 0.000 0.210 163 K C 2.527 179.259 176.600 0.222 0.000 1.049 163 K CA 2.014 58.391 56.287 0.150 0.000 0.929 163 K CB -0.304 32.256 32.500 0.099 0.000 0.714 163 K HN 0.307 nan 8.250 nan 0.000 0.440 164 T N 1.177 115.843 114.554 0.186 0.000 2.821 164 T HA -0.084 4.269 4.350 0.005 0.000 0.267 164 T C 2.093 176.915 174.700 0.202 0.000 1.046 164 T CA 0.920 63.138 62.100 0.196 0.000 1.139 164 T CB -0.194 68.769 68.868 0.159 0.000 0.871 164 T HN -0.058 nan 8.240 nan 0.000 0.454 165 V N 0.895 120.921 119.914 0.187 0.000 2.295 165 V HA -0.126 3.997 4.120 0.005 0.000 0.246 165 V C 2.016 178.291 176.094 0.302 0.000 1.049 165 V CA 1.552 63.971 62.300 0.199 0.000 1.024 165 V CB -0.649 31.249 31.823 0.124 0.000 0.648 165 V HN 0.403 nan 8.190 nan 0.000 0.447 166 F N -0.386 119.710 119.950 0.243 0.000 2.171 166 F HA -0.178 4.351 4.527 0.004 0.000 0.300 166 F C 2.205 178.142 175.800 0.227 0.000 1.090 166 F CA 1.341 59.538 58.000 0.329 0.000 1.293 166 F CB -0.109 39.065 39.000 0.290 0.000 1.013 166 F HN 0.030 nan 8.300 nan 0.000 0.486 167 I N 0.084 120.906 120.570 0.420 0.000 2.179 167 I HA -0.323 3.850 4.170 0.005 0.000 0.242 167 I C 2.289 178.475 176.117 0.116 0.000 1.088 167 I CA 1.559 63.037 61.300 0.297 0.000 1.357 167 I CB -1.148 37.033 38.000 0.301 0.000 1.051 167 I HN 0.250 nan 8.210 nan 0.000 0.409 168 Q N 0.136 119.989 119.800 0.088 0.000 2.030 168 Q HA -0.275 4.068 4.340 0.005 0.000 0.204 168 Q C 2.092 178.042 176.000 -0.085 0.000 0.986 168 Q CA 2.058 57.849 55.803 -0.021 0.000 0.843 168 Q CB -0.124 28.623 28.738 0.015 0.000 0.904 168 Q HN 0.292 nan 8.270 nan 0.000 0.420 169 E N 0.244 120.387 120.200 -0.095 0.000 2.130 169 E HA -0.199 4.154 4.350 0.005 0.000 0.196 169 E C 1.619 178.060 176.600 -0.263 0.000 0.998 169 E CA 1.173 57.408 56.400 -0.276 0.000 0.806 169 E CB -0.178 29.138 29.700 -0.640 0.000 0.738 169 E HN 0.326 nan 8.360 nan 0.000 0.459 170 L N -0.345 120.781 121.223 -0.163 0.000 2.027 170 L HA -0.105 4.238 4.340 0.005 0.000 0.206 170 L C 2.391 179.220 176.870 -0.068 0.000 1.074 170 L CA 1.010 55.827 54.840 -0.037 0.000 0.745 170 L CB -0.350 41.818 42.059 0.182 0.000 0.898 170 L HN 0.186 nan 8.230 nan 0.000 0.433 171 I N -0.130 120.285 120.570 -0.259 0.000 2.335 171 I HA -0.287 3.886 4.170 0.005 0.000 0.251 171 I C 2.100 178.116 176.117 -0.168 0.000 1.129 171 I CA 1.232 62.294 61.300 -0.397 0.000 1.402 171 I CB -0.404 37.261 38.000 -0.560 0.000 1.069 171 I HN 0.320 nan 8.210 nan 0.000 0.424 172 N N 0.751 119.366 118.700 -0.143 0.000 2.207 172 N HA -0.107 4.636 4.740 0.005 0.000 0.182 172 N C 1.638 177.100 175.510 -0.081 0.000 1.020 172 N CA 1.049 54.037 53.050 -0.105 0.000 0.858 172 N CB 0.023 38.441 38.487 -0.114 0.000 0.991 172 N HN 0.163 nan 8.380 nan 0.000 0.427 173 N N -0.191 118.451 118.700 -0.097 0.000 2.171 173 N HA 0.043 4.786 4.740 0.005 0.000 0.184 173 N C 1.336 176.841 175.510 -0.008 0.000 1.021 173 N CA 0.944 53.951 53.050 -0.072 0.000 0.854 173 N CB 0.107 38.525 38.487 -0.116 0.000 0.994 173 N HN 0.330 nan 8.380 nan 0.000 0.426 174 I N -0.307 120.281 120.570 0.031 0.000 3.616 174 I HA 0.152 4.325 4.170 0.005 0.000 0.296 174 I C 1.951 178.147 176.117 0.132 0.000 1.226 174 I CA 0.142 61.494 61.300 0.086 0.000 1.394 174 I CB 0.081 38.151 38.000 0.116 0.000 1.171 174 I HN -0.050 nan 8.210 nan 0.000 0.442 175 A N 1.609 124.511 122.820 0.136 0.000 1.929 175 A HA -0.158 4.165 4.320 0.005 0.000 0.216 175 A C 2.197 179.881 177.584 0.167 0.000 1.176 175 A CA 1.442 53.594 52.037 0.193 0.000 0.628 175 A CB -0.314 18.775 19.000 0.149 0.000 0.816 175 A HN 0.341 nan 8.150 nan 0.000 0.444 176 K N 0.207 120.662 120.400 0.091 0.000 1.991 176 K HA 0.126 4.449 4.320 0.005 0.000 0.207 176 K C 2.249 178.897 176.600 0.080 0.000 1.045 176 K CA 1.103 57.431 56.287 0.070 0.000 0.937 176 K CB -0.518 31.999 32.500 0.028 0.000 0.720 176 K HN 0.278 nan 8.250 nan 0.000 0.438 177 A N 2.004 124.869 122.820 0.075 0.000 1.948 177 A HA -0.287 4.036 4.320 0.005 0.000 0.220 177 A C 2.101 179.752 177.584 0.111 0.000 1.177 177 A CA 2.139 54.219 52.037 0.072 0.000 0.636 177 A CB -0.992 18.044 19.000 0.060 0.000 0.815 177 A HN 0.482 nan 8.150 nan 0.000 0.449 178 H N -0.112 118.980 119.070 0.036 0.000 2.289 178 H HA -0.070 4.489 4.556 0.005 0.000 0.294 178 H C 1.592 176.924 175.328 0.006 0.000 1.095 178 H CA 1.893 57.960 56.048 0.032 0.000 1.256 178 H CB -0.857 28.941 29.762 0.060 0.000 1.359 178 H HN 0.797 nan 8.280 nan 0.000 0.487 179 G N -0.972 107.743 108.800 -0.142 0.000 2.249 179 G HA2 -0.187 3.775 3.960 0.005 0.000 0.273 179 G HA3 -0.187 3.775 3.960 0.005 0.000 0.273 179 G C 0.637 175.223 174.900 -0.523 0.000 1.036 179 G CA 1.025 45.977 45.100 -0.247 0.000 0.824 179 G HN 0.914 nan 8.290 nan 0.000 0.504 180 G N -1.396 106.893 108.800 -0.850 0.000 3.135 180 G HA2 0.770 4.733 3.960 0.005 0.000 0.159 180 G HA3 0.770 4.733 3.960 0.005 0.000 0.159 180 G C -0.803 173.940 174.900 -0.262 0.000 1.244 180 G CA -1.028 43.635 45.100 -0.729 0.000 0.965 180 G HN 0.229 nan 8.290 nan 0.000 0.599 181 F N -0.179 119.709 119.950 -0.104 0.000 2.538 181 F HA 0.783 5.313 4.527 0.005 0.000 0.325 181 F C 0.395 176.151 175.800 -0.073 0.000 1.066 181 F CA -1.449 56.440 58.000 -0.186 0.000 0.946 181 F CB 2.184 40.831 39.000 -0.587 0.000 1.199 181 F HN 0.196 nan 8.300 nan 0.000 0.473 182 S N 0.603 116.389 115.700 0.144 0.000 2.548 182 S HA 0.767 5.240 4.470 0.005 0.000 0.286 182 S C -1.263 173.383 174.600 0.077 0.000 1.098 182 S CA -0.689 57.597 58.200 0.144 0.000 0.930 182 S CB 2.402 65.795 63.200 0.321 0.000 1.070 182 S HN 0.252 nan 8.310 nan 0.000 0.480 183 V N 2.812 122.781 119.914 0.090 0.000 2.495 183 V HA 0.528 4.651 4.120 0.005 0.000 0.298 183 V C -1.219 174.979 176.094 0.173 0.000 1.031 183 V CA -0.625 61.721 62.300 0.076 0.000 0.871 183 V CB 1.345 33.177 31.823 0.015 0.000 0.988 183 V HN 0.840 nan 8.190 nan 0.000 0.432 184 F N 3.261 123.218 119.950 0.011 0.000 2.402 184 F HA 0.589 5.118 4.527 0.005 0.000 0.355 184 F C 0.366 176.058 175.800 -0.179 0.000 1.123 184 F CA -0.060 57.940 58.000 -0.001 0.000 1.021 184 F CB 1.542 40.544 39.000 0.003 0.000 1.160 184 F HN 0.464 nan 8.300 nan 0.000 0.451 185 T N 4.820 119.122 114.554 -0.419 0.000 2.821 185 T HA 0.397 4.750 4.350 0.005 0.000 0.307 185 T C 0.261 174.800 174.700 -0.269 0.000 1.034 185 T CA -0.642 61.273 62.100 -0.307 0.000 0.953 185 T CB 0.975 69.709 68.868 -0.224 0.000 0.968 185 T HN 0.814 nan 8.240 nan 0.000 0.462 186 G N 2.329 111.162 108.800 0.054 0.000 2.394 186 G HA2 0.473 4.436 3.960 0.005 0.000 0.298 186 G HA3 0.473 4.436 3.960 0.005 0.000 0.298 186 G C -0.313 174.733 174.900 0.244 0.000 1.087 186 G CA -0.304 45.040 45.100 0.406 0.000 1.035 186 G HN 0.641 nan 8.290 nan 0.000 0.420 187 V N 2.841 122.827 119.914 0.120 0.000 2.328 187 V HA 0.569 4.692 4.120 0.005 0.000 0.278 187 V C 1.147 177.303 176.094 0.103 0.000 1.021 187 V CA 0.326 62.682 62.300 0.093 0.000 0.838 187 V CB 0.870 32.720 31.823 0.046 0.000 0.999 187 V HN 1.286 nan 8.190 nan 0.000 0.447 188 G N 3.686 112.543 108.800 0.096 0.000 2.366 188 G HA2 -0.186 3.777 3.960 0.005 0.000 0.299 188 G HA3 -0.186 3.777 3.960 0.005 0.000 0.299 188 G C 0.097 175.033 174.900 0.059 0.000 1.020 188 G CA 0.473 45.614 45.100 0.067 0.000 1.026 188 G HN 0.616 nan 8.290 nan 0.000 0.512 189 E N -1.015 119.231 120.200 0.076 0.000 2.538 189 E HA 0.445 4.798 4.350 0.005 0.000 0.232 189 E C 0.718 177.340 176.600 0.037 0.000 0.830 189 E CA -1.027 55.412 56.400 0.066 0.000 0.916 189 E CB 0.842 30.612 29.700 0.117 0.000 1.567 189 E HN 0.368 nan 8.360 nan 0.000 0.389 190 R N 0.239 120.756 120.500 0.028 0.000 2.438 190 R HA 0.209 4.552 4.340 0.005 0.000 0.287 190 R C 1.149 177.413 176.300 -0.060 0.000 1.077 190 R CA 0.155 56.251 56.100 -0.006 0.000 1.034 190 R CB 0.407 30.710 30.300 0.005 0.000 0.993 190 R HN 0.447 nan 8.270 nan 0.000 0.459 191 T N 1.701 116.205 114.554 -0.082 0.000 2.777 191 T HA -0.149 4.204 4.350 0.005 0.000 0.266 191 T C 1.740 176.342 174.700 -0.163 0.000 1.040 191 T CA 0.877 62.883 62.100 -0.158 0.000 1.141 191 T CB -0.134 68.669 68.868 -0.108 0.000 0.868 191 T HN 0.562 nan 8.240 nan 0.000 0.444 192 R N 1.338 121.787 120.500 -0.086 0.000 2.154 192 R HA -0.200 4.143 4.340 0.005 0.000 0.248 192 R C 2.063 178.324 176.300 -0.065 0.000 1.155 192 R CA 1.780 57.845 56.100 -0.059 0.000 0.979 192 R CB -0.155 30.131 30.300 -0.024 0.000 0.869 192 R HN 0.559 nan 8.270 nan 0.000 0.452 193 E N -1.473 118.684 120.200 -0.072 0.000 2.158 193 E HA -0.047 4.306 4.350 0.005 0.000 0.191 193 E C 1.916 178.444 176.600 -0.119 0.000 0.982 193 E CA 0.789 57.158 56.400 -0.050 0.000 0.823 193 E CB -0.050 29.657 29.700 0.011 0.000 0.766 193 E HN 0.565 nan 8.360 nan 0.000 0.468 194 G N 1.978 110.597 108.800 -0.302 0.000 2.402 194 G HA2 -0.291 3.672 3.960 0.005 0.000 0.216 194 G HA3 -0.291 3.672 3.960 0.005 0.000 0.216 194 G C 1.502 176.212 174.900 -0.317 0.000 1.162 194 G CA 0.643 45.343 45.100 -0.666 0.000 0.777 194 G HN 0.151 nan 8.290 nan 0.000 0.539 195 N N 1.261 119.829 118.700 -0.220 0.000 2.084 195 N HA -0.123 4.620 4.740 0.005 0.000 0.190 195 N C 1.665 177.188 175.510 0.022 0.000 1.030 195 N CA 1.685 54.714 53.050 -0.036 0.000 0.849 195 N CB -0.327 38.135 38.487 -0.043 0.000 1.012 195 N HN 0.133 nan 8.380 nan 0.000 0.423 196 D N 0.575 120.961 120.400 -0.023 0.000 2.097 196 D HA -0.126 4.517 4.640 0.005 0.000 0.195 196 D C 1.996 178.286 176.300 -0.016 0.000 0.989 196 D CA 0.499 54.489 54.000 -0.015 0.000 0.827 196 D CB -0.414 40.376 40.800 -0.016 0.000 0.966 196 D HN 0.241 nan 8.370 nan 0.000 0.456 197 L N -0.164 121.040 121.223 -0.032 0.000 1.989 197 L HA -0.223 4.120 4.340 0.005 0.000 0.211 197 L C 2.195 179.090 176.870 0.041 0.000 1.071 197 L CA 1.614 56.416 54.840 -0.064 0.000 0.749 197 L CB -0.864 41.089 42.059 -0.176 0.000 0.890 197 L HN 0.048 nan 8.230 nan 0.000 0.431 198 Y N 1.101 121.384 120.300 -0.027 0.000 2.062 198 Y HA -0.365 4.188 4.550 0.005 0.000 0.276 198 Y C 2.954 178.842 175.900 -0.020 0.000 1.189 198 Y CA 2.504 60.608 58.100 0.008 0.000 1.130 198 Y CB -0.703 37.781 38.460 0.041 0.000 0.959 198 Y HN 0.374 nan 8.280 nan 0.000 0.499 199 R N 0.269 120.738 120.500 -0.052 0.000 2.083 199 R HA -0.245 4.098 4.340 0.005 0.000 0.237 199 R C 2.182 178.412 176.300 -0.116 0.000 1.137 199 R CA 2.085 58.098 56.100 -0.146 0.000 0.951 199 R CB -0.555 29.697 30.300 -0.080 0.000 0.851 199 R HN 0.404 nan 8.270 nan 0.000 0.434 200 E N 0.379 120.536 120.200 -0.072 0.000 2.106 200 E HA -0.138 4.215 4.350 0.005 0.000 0.192 200 E C 2.085 178.643 176.600 -0.069 0.000 0.984 200 E CA 1.637 57.996 56.400 -0.068 0.000 0.806 200 E CB -0.002 29.660 29.700 -0.062 0.000 0.750 200 E HN 0.368 nan 8.360 nan 0.000 0.458 201 M N 0.112 119.674 119.600 -0.062 0.000 2.086 201 M HA -0.132 4.351 4.480 0.005 0.000 0.261 201 M C 2.190 178.454 176.300 -0.060 0.000 1.067 201 M CA 1.558 56.831 55.300 -0.045 0.000 1.116 201 M CB -0.669 31.933 32.600 0.003 0.000 1.348 201 M HN 0.016 nan 8.290 nan 0.000 0.407 202 K N 0.654 120.988 120.400 -0.110 0.000 2.063 202 K HA -0.167 4.156 4.320 0.005 0.000 0.208 202 K C 1.873 178.420 176.600 -0.089 0.000 1.048 202 K CA 1.515 57.725 56.287 -0.128 0.000 0.928 202 K CB -0.118 32.245 32.500 -0.227 0.000 0.713 202 K HN 0.424 nan 8.250 nan 0.000 0.442 203 E N -0.485 119.664 120.200 -0.085 0.000 2.208 203 E HA -0.099 4.254 4.350 0.005 0.000 0.193 203 E C 1.560 178.131 176.600 -0.048 0.000 0.988 203 E CA 1.460 57.822 56.400 -0.064 0.000 0.828 203 E CB 0.120 29.782 29.700 -0.063 0.000 0.763 203 E HN 0.452 nan 8.360 nan 0.000 0.478 204 T N -3.198 111.328 114.554 -0.046 0.000 3.081 204 T HA 0.239 4.592 4.350 0.005 0.000 0.250 204 T C 1.586 176.272 174.700 -0.024 0.000 1.100 204 T CA 0.330 62.409 62.100 -0.035 0.000 1.038 204 T CB 0.624 69.471 68.868 -0.036 0.000 0.962 204 T HN 0.248 nan 8.240 nan 0.000 0.516 205 G N 0.942 109.727 108.800 -0.026 0.000 2.179 205 G HA2 -0.326 3.637 3.960 0.005 0.000 0.260 205 G HA3 -0.326 3.637 3.960 0.005 0.000 0.260 205 G C 0.890 175.789 174.900 -0.002 0.000 0.977 205 G CA 0.246 45.337 45.100 -0.015 0.000 0.641 205 G HN 0.609 nan 8.290 nan 0.000 0.533 206 V N -0.164 119.750 119.914 -0.001 0.000 2.970 206 V HA 0.233 4.356 4.120 0.005 0.000 0.260 206 V C 1.356 177.461 176.094 0.019 0.000 1.100 206 V CA 1.625 63.935 62.300 0.017 0.000 1.122 206 V CB -0.217 31.617 31.823 0.017 0.000 0.721 206 V HN 0.498 nan 8.190 nan 0.000 0.483 207 I N 0.757 121.331 120.570 0.007 0.000 2.439 207 I HA 0.331 4.503 4.170 0.005 0.000 0.285 207 I C -0.429 175.685 176.117 -0.005 0.000 1.021 207 I CA -0.130 61.178 61.300 0.013 0.000 1.091 207 I CB 1.637 39.663 38.000 0.044 0.000 1.242 207 I HN 0.016 nan 8.210 nan 0.000 0.439 208 N N 5.819 124.521 118.700 0.002 0.000 2.609 208 N HA 0.363 5.106 4.740 0.005 0.000 0.234 208 N C 1.023 176.534 175.510 0.002 0.000 1.001 208 N CA -0.417 52.631 53.050 -0.005 0.000 0.926 208 N CB 0.877 39.364 38.487 0.000 0.000 1.130 208 N HN 0.574 nan 8.380 nan 0.000 0.510 209 L N 1.950 123.170 121.223 -0.005 0.000 2.021 209 L HA -0.201 4.141 4.340 0.005 0.000 0.215 209 L C 1.116 177.992 176.870 0.011 0.000 1.074 209 L CA 1.474 56.320 54.840 0.010 0.000 0.760 209 L CB -0.152 41.905 42.059 -0.003 0.000 0.889 209 L HN 0.571 nan 8.230 nan 0.000 0.433 210 E N -0.492 119.710 120.200 0.003 0.000 2.370 210 E HA 0.207 4.560 4.350 0.005 0.000 0.194 210 E C 0.530 177.134 176.600 0.006 0.000 1.057 210 E CA 0.098 56.501 56.400 0.005 0.000 1.011 210 E CB 0.489 30.190 29.700 0.001 0.000 1.132 210 E HN 0.418 nan 8.360 nan 0.000 0.450 211 G N 0.091 108.896 108.800 0.008 0.000 3.107 211 G HA2 0.327 4.290 3.960 0.005 0.000 0.233 211 G HA3 0.327 4.290 3.960 0.005 0.000 0.233 211 G C -0.975 173.934 174.900 0.015 0.000 1.168 211 G CA -0.695 44.412 45.100 0.012 0.000 0.801 211 G HN 0.194 nan 8.290 nan 0.000 0.605 212 E N -0.804 119.409 120.200 0.020 0.000 2.232 212 E HA 0.745 5.098 4.350 0.005 0.000 0.264 212 E C -1.138 175.472 176.600 0.017 0.000 0.973 212 E CA -0.667 55.746 56.400 0.022 0.000 0.849 212 E CB 1.996 31.721 29.700 0.041 0.000 1.198 212 E HN 0.248 nan 8.360 nan 0.000 0.407 213 S N 0.131 115.829 115.700 -0.004 0.000 2.595 213 S HA 0.277 4.749 4.470 0.005 0.000 0.281 213 S C -0.108 174.457 174.600 -0.059 0.000 1.117 213 S CA -0.962 57.229 58.200 -0.016 0.000 0.873 213 S CB 1.791 64.981 63.200 -0.018 0.000 1.108 213 S HN 0.536 nan 8.310 nan 0.000 0.477 214 K N 0.306 120.704 120.400 -0.004 0.000 2.367 214 K HA 0.316 4.639 4.320 0.005 0.000 0.194 214 K C -0.154 176.420 176.600 -0.043 0.000 1.027 214 K CA 0.250 56.573 56.287 0.060 0.000 1.075 214 K CB 0.777 33.373 32.500 0.160 0.000 0.845 214 K HN 0.288 nan 8.250 nan 0.000 0.529 215 V N 0.499 120.369 119.914 -0.073 0.000 2.567 215 V HA 0.620 4.743 4.120 0.005 0.000 0.298 215 V C -1.624 174.442 176.094 -0.045 0.000 1.047 215 V CA -0.896 61.383 62.300 -0.036 0.000 0.880 215 V CB 1.320 33.179 31.823 0.060 0.000 1.009 215 V HN 0.116 nan 8.190 nan 0.000 0.429 216 A N 7.465 130.245 122.820 -0.067 0.000 2.327 216 A HA 0.854 5.177 4.320 0.005 0.000 0.283 216 A C -0.650 176.914 177.584 -0.034 0.000 1.127 216 A CA -0.492 51.520 52.037 -0.042 0.000 0.810 216 A CB 0.610 19.596 19.000 -0.022 0.000 1.066 216 A HN 0.960 nan 8.150 nan 0.000 0.492 217 L N 2.480 123.650 121.223 -0.088 0.000 2.341 217 L HA 0.596 4.939 4.340 0.005 0.000 0.278 217 L C -0.949 175.723 176.870 -0.329 0.000 1.005 217 L CA -0.881 53.827 54.840 -0.220 0.000 0.818 217 L CB 1.824 43.734 42.059 -0.248 0.000 1.259 217 L HN 0.414 nan 8.230 nan 0.000 0.418 218 V N 2.582 122.225 119.914 -0.452 0.000 2.540 218 V HA 0.531 4.654 4.120 0.005 0.000 0.302 218 V C -0.840 174.930 176.094 -0.540 0.000 1.035 218 V CA -0.498 61.587 62.300 -0.359 0.000 0.873 218 V CB 1.896 33.609 31.823 -0.184 0.000 0.992 218 V HN 0.375 nan 8.190 nan 0.000 0.428 219 F N 1.671 121.636 119.950 0.025 0.000 2.540 219 F HA 0.801 5.331 4.527 0.005 0.000 0.317 219 F C 0.660 176.471 175.800 0.018 0.000 1.104 219 F CA -0.994 57.027 58.000 0.035 0.000 0.913 219 F CB 2.530 41.548 39.000 0.029 0.000 1.170 219 F HN 0.561 nan 8.300 nan 0.000 0.450 220 G N 3.066 112.019 108.800 0.255 0.000 4.142 220 G HA2 0.315 4.278 3.960 0.005 0.000 0.310 220 G HA3 0.315 4.278 3.960 0.005 0.000 0.310 220 G C -0.720 174.256 174.900 0.127 0.000 1.384 220 G CA -0.450 44.736 45.100 0.142 0.000 0.838 220 G HN 0.284 nan 8.290 nan 0.000 0.512 221 Q N 0.682 120.547 119.800 0.110 0.000 2.407 221 Q HA 0.197 4.540 4.340 0.005 0.000 0.214 221 Q C 2.034 178.059 176.000 0.041 0.000 1.043 221 Q CA -0.620 55.223 55.803 0.067 0.000 0.983 221 Q CB 0.870 29.610 28.738 0.003 0.000 1.211 221 Q HN 0.697 nan 8.270 nan 0.000 0.564 222 M N -0.105 119.511 119.600 0.027 0.000 2.706 222 M HA -0.093 4.390 4.480 0.005 0.000 0.251 222 M C 0.711 177.017 176.300 0.009 0.000 1.070 222 M CA 1.363 56.673 55.300 0.016 0.000 1.073 222 M CB -0.266 32.337 32.600 0.006 0.000 1.449 222 M HN 0.406 nan 8.290 nan 0.000 0.531 223 N N 0.480 119.185 118.700 0.008 0.000 2.416 223 N HA -0.024 4.719 4.740 0.005 0.000 0.177 223 N C -0.293 175.224 175.510 0.011 0.000 1.036 223 N CA 0.468 53.522 53.050 0.006 0.000 0.901 223 N CB -0.248 38.239 38.487 0.001 0.000 0.976 223 N HN 0.441 nan 8.380 nan 0.000 0.444 224 E N 1.863 122.075 120.200 0.018 0.000 2.354 224 E HA 0.320 4.673 4.350 0.005 0.000 0.269 224 E C -2.200 174.411 176.600 0.018 0.000 1.036 224 E CA -1.773 54.640 56.400 0.022 0.000 0.876 224 E CB 0.682 30.402 29.700 0.034 0.000 1.009 224 E HN 0.208 nan 8.360 nan 0.000 0.416 225 P HA -0.083 nan 4.420 nan 0.000 0.270 225 P C -1.918 175.389 177.300 0.012 0.000 1.221 225 P CA -0.739 62.368 63.100 0.011 0.000 0.788 225 P CB 0.086 31.794 31.700 0.012 0.000 0.904 226 P HA -0.242 nan 4.420 nan 0.000 0.215 226 P C 1.538 178.843 177.300 0.008 0.000 1.163 226 P CA 2.333 65.431 63.100 -0.003 0.000 0.894 226 P CB -0.770 30.922 31.700 -0.013 0.000 0.791 227 G N 0.237 109.046 108.800 0.015 0.000 2.469 227 G HA2 -0.284 3.679 3.960 0.005 0.000 0.219 227 G HA3 -0.284 3.679 3.960 0.005 0.000 0.219 227 G C 1.823 176.748 174.900 0.042 0.000 1.150 227 G CA 1.443 46.561 45.100 0.029 0.000 0.763 227 G HN 0.418 nan 8.290 nan 0.000 0.561 228 A N 0.684 123.527 122.820 0.037 0.000 1.873 228 A HA 0.038 4.361 4.320 0.005 0.000 0.215 228 A C 2.432 180.048 177.584 0.053 0.000 1.186 228 A CA 1.523 53.586 52.037 0.043 0.000 0.616 228 A CB -0.377 18.646 19.000 0.038 0.000 0.823 228 A HN 0.345 nan 8.150 nan 0.000 0.442 229 R N -0.481 120.048 120.500 0.049 0.000 2.193 229 R HA -0.028 4.315 4.340 0.005 0.000 0.229 229 R C 2.268 178.627 176.300 0.098 0.000 1.110 229 R CA 0.918 57.054 56.100 0.061 0.000 0.988 229 R CB -0.344 29.979 30.300 0.037 0.000 0.871 229 R HN 0.533 nan 8.270 nan 0.000 0.458 230 A N 0.716 123.588 122.820 0.087 0.000 1.929 230 A HA -0.051 4.272 4.320 0.005 0.000 0.216 230 A C 1.953 179.691 177.584 0.257 0.000 1.176 230 A CA 0.901 53.024 52.037 0.144 0.000 0.628 230 A CB 0.028 19.057 19.000 0.048 0.000 0.816 230 A HN 0.041 nan 8.150 nan 0.000 0.444 231 R N -1.187 119.394 120.500 0.135 0.000 2.206 231 R HA 0.108 4.451 4.340 0.005 0.000 0.198 231 R C 1.927 178.231 176.300 0.007 0.000 0.986 231 R CA 0.922 57.069 56.100 0.077 0.000 1.029 231 R CB -1.111 29.227 30.300 0.064 0.000 0.966 231 R HN 0.371 nan 8.270 nan 0.000 0.487 232 V N 1.603 121.530 119.914 0.022 0.000 2.568 232 V HA -0.204 3.919 4.120 0.005 0.000 0.253 232 V C 2.140 178.196 176.094 -0.062 0.000 1.072 232 V CA 1.936 64.229 62.300 -0.011 0.000 1.084 232 V CB -0.423 31.414 31.823 0.023 0.000 0.676 232 V HN 0.299 nan 8.190 nan 0.000 0.469 233 A N -0.197 122.574 122.820 -0.082 0.000 1.933 233 A HA -0.145 4.178 4.320 0.005 0.000 0.218 233 A C 2.084 179.537 177.584 -0.217 0.000 1.175 233 A CA 2.087 54.016 52.037 -0.180 0.000 0.628 233 A CB -0.480 18.341 19.000 -0.299 0.000 0.814 233 A HN 0.600 nan 8.150 nan 0.000 0.444 234 L N -1.235 119.858 121.223 -0.217 0.000 2.109 234 L HA -0.099 4.244 4.340 0.005 0.000 0.207 234 L C 2.694 179.461 176.870 -0.171 0.000 1.086 234 L CA 1.431 56.133 54.840 -0.230 0.000 0.760 234 L CB -1.158 40.721 42.059 -0.299 0.000 0.910 234 L HN 0.270 nan 8.230 nan 0.000 0.437 235 T N 0.368 114.840 114.554 -0.137 0.000 2.607 235 T HA -0.181 4.172 4.350 0.005 0.000 0.267 235 T C 1.903 176.549 174.700 -0.090 0.000 1.049 235 T CA 1.782 63.822 62.100 -0.101 0.000 1.162 235 T CB -0.667 68.156 68.868 -0.076 0.000 0.863 235 T HN 0.570 nan 8.240 nan 0.000 0.424 236 G N 1.143 109.882 108.800 -0.102 0.000 2.450 236 G HA2 -0.153 3.810 3.960 0.005 0.000 0.220 236 G HA3 -0.153 3.810 3.960 0.005 0.000 0.220 236 G C 1.532 176.385 174.900 -0.078 0.000 1.130 236 G CA 0.861 45.904 45.100 -0.095 0.000 0.760 236 G HN 0.421 nan 8.290 nan 0.000 0.557 237 L N 1.231 122.390 121.223 -0.107 0.000 2.056 237 L HA 0.015 4.357 4.340 0.005 0.000 0.207 237 L C 2.873 179.716 176.870 -0.045 0.000 1.078 237 L CA 2.620 57.402 54.840 -0.096 0.000 0.749 237 L CB -1.111 40.860 42.059 -0.146 0.000 0.901 237 L HN 0.200 nan 8.230 nan 0.000 0.433 238 T N 0.101 114.623 114.554 -0.053 0.000 2.684 238 T HA -0.202 4.151 4.350 0.005 0.000 0.267 238 T C 2.001 176.717 174.700 0.027 0.000 1.036 238 T CA 2.219 64.306 62.100 -0.023 0.000 1.148 238 T CB -0.531 68.306 68.868 -0.053 0.000 0.863 238 T HN 0.367 nan 8.240 nan 0.000 0.436 239 I N 1.560 122.144 120.570 0.024 0.000 2.286 239 I HA -0.171 4.002 4.170 0.005 0.000 0.248 239 I C 2.942 179.232 176.117 0.288 0.000 1.115 239 I CA 1.021 62.378 61.300 0.095 0.000 1.392 239 I CB -0.538 37.521 38.000 0.098 0.000 1.065 239 I HN 0.215 nan 8.210 nan 0.000 0.418 240 A N 0.700 123.641 122.820 0.200 0.000 1.858 240 A HA -0.233 4.089 4.320 0.005 0.000 0.216 240 A C 2.230 179.961 177.584 0.246 0.000 1.190 240 A CA 1.792 53.965 52.037 0.227 0.000 0.617 240 A CB -0.630 18.408 19.000 0.063 0.000 0.827 240 A HN 0.439 nan 8.150 nan 0.000 0.443 241 E N -1.720 118.563 120.200 0.139 0.000 2.118 241 E HA -0.230 4.122 4.350 0.005 0.000 0.195 241 E C 1.841 178.511 176.600 0.117 0.000 0.992 241 E CA 1.458 57.916 56.400 0.098 0.000 0.804 241 E CB -0.336 29.392 29.700 0.047 0.000 0.741 241 E HN 0.777 nan 8.360 nan 0.000 0.458 242 Y N 0.130 120.420 120.300 -0.017 0.000 2.256 242 Y HA -0.254 4.299 4.550 0.005 0.000 0.288 242 Y C 1.655 177.455 175.900 -0.167 0.000 1.155 242 Y CA 1.485 59.502 58.100 -0.137 0.000 1.203 242 Y CB -0.099 38.203 38.460 -0.264 0.000 0.980 242 Y HN -0.031 nan 8.280 nan 0.000 0.530 243 F N -0.340 119.714 119.950 0.173 0.000 2.206 243 F HA -0.077 4.453 4.527 0.005 0.000 0.298 243 F C 2.684 178.496 175.800 0.020 0.000 1.090 243 F CA 1.588 59.665 58.000 0.129 0.000 1.323 243 F CB -0.612 38.532 39.000 0.239 0.000 1.028 243 F HN -0.112 nan 8.300 nan 0.000 0.492 244 R N 0.450 121.063 120.500 0.188 0.000 2.092 244 R HA -0.143 4.200 4.340 0.005 0.000 0.231 244 R C 1.270 177.569 176.300 -0.002 0.000 1.119 244 R CA 1.993 58.139 56.100 0.077 0.000 0.970 244 R CB -0.260 30.076 30.300 0.059 0.000 0.864 244 R HN 0.212 nan 8.270 nan 0.000 0.440 245 D N -0.301 120.066 120.400 -0.056 0.000 2.369 245 D HA -0.055 4.588 4.640 0.005 0.000 0.231 245 D C 1.844 178.048 176.300 -0.159 0.000 0.967 245 D CA 0.697 54.638 54.000 -0.098 0.000 0.905 245 D CB 0.011 40.753 40.800 -0.097 0.000 1.044 245 D HN 0.218 nan 8.370 nan 0.000 0.487 246 E N 1.142 121.163 120.200 -0.299 0.000 2.076 246 E HA -0.039 4.313 4.350 0.005 0.000 0.190 246 E C 1.460 177.930 176.600 -0.217 0.000 0.979 246 E CA 0.670 56.854 56.400 -0.361 0.000 0.807 246 E CB -0.070 29.164 29.700 -0.778 0.000 0.761 246 E HN 0.440 nan 8.360 nan 0.000 0.454 247 E N 0.090 120.197 120.200 -0.155 0.000 2.474 247 E HA 0.128 4.481 4.350 0.005 0.000 0.195 247 E C 0.721 177.318 176.600 -0.006 0.000 1.039 247 E CA 0.304 56.690 56.400 -0.024 0.000 0.881 247 E CB 0.495 30.267 29.700 0.120 0.000 0.970 247 E HN 0.301 nan 8.360 nan 0.000 0.486 248 G N 2.509 111.295 108.800 -0.024 0.000 2.233 248 G HA2 -0.341 3.622 3.960 0.005 0.000 0.270 248 G HA3 -0.341 3.622 3.960 0.005 0.000 0.270 248 G C 0.239 175.137 174.900 -0.004 0.000 1.011 248 G CA 0.670 45.759 45.100 -0.019 0.000 0.762 248 G HN 0.276 nan 8.290 nan 0.000 0.511 249 Q N -0.396 119.423 119.800 0.031 0.000 2.318 249 Q HA 0.376 4.719 4.340 0.005 0.000 0.222 249 Q C -0.669 175.350 176.000 0.032 0.000 1.003 249 Q CA -0.496 55.314 55.803 0.012 0.000 0.936 249 Q CB 0.577 29.330 28.738 0.025 0.000 1.204 249 Q HN 0.239 nan 8.270 nan 0.000 0.524 250 D N 1.324 121.738 120.400 0.024 0.000 2.428 250 D HA 0.240 4.883 4.640 0.005 0.000 0.221 250 D C -0.873 175.520 176.300 0.155 0.000 1.123 250 D CA -0.104 53.944 54.000 0.080 0.000 0.869 250 D CB 1.004 41.873 40.800 0.115 0.000 1.032 250 D HN 0.084 nan 8.370 nan 0.000 0.506 251 V N 2.527 122.492 119.914 0.086 0.000 2.617 251 V HA 0.411 4.534 4.120 0.005 0.000 0.298 251 V C 0.434 176.494 176.094 -0.058 0.000 1.048 251 V CA -0.864 61.475 62.300 0.065 0.000 0.964 251 V CB 1.700 33.567 31.823 0.072 0.000 1.004 251 V HN 0.326 nan 8.190 nan 0.000 0.466 252 L N 4.620 125.777 121.223 -0.110 0.000 2.298 252 L HA 0.499 4.842 4.340 0.005 0.000 0.284 252 L C -0.910 175.716 176.870 -0.406 0.000 1.013 252 L CA -0.549 54.082 54.840 -0.348 0.000 0.824 252 L CB 1.555 43.387 42.059 -0.378 0.000 1.221 252 L HN 0.416 nan 8.230 nan 0.000 0.418 253 L N 4.613 125.538 121.223 -0.495 0.000 2.294 253 L HA 0.522 4.865 4.340 0.005 0.000 0.283 253 L C -1.058 175.496 176.870 -0.526 0.000 1.015 253 L CA -0.013 54.597 54.840 -0.382 0.000 0.831 253 L CB 0.650 42.569 42.059 -0.233 0.000 1.217 253 L HN 0.182 nan 8.230 nan 0.000 0.420 254 F N 6.343 126.195 119.950 -0.164 0.000 2.385 254 F HA 0.519 5.049 4.527 0.005 0.000 0.360 254 F C 0.151 175.618 175.800 -0.556 0.000 1.122 254 F CA -0.406 57.444 58.000 -0.249 0.000 1.090 254 F CB 0.849 39.819 39.000 -0.051 0.000 1.150 254 F HN 0.240 nan 8.300 nan 0.000 0.472 255 I N 3.387 123.801 120.570 -0.260 0.000 2.411 255 I HA 0.265 4.438 4.170 0.005 0.000 0.284 255 I C -0.997 175.002 176.117 -0.196 0.000 1.012 255 I CA -0.442 60.669 61.300 -0.314 0.000 1.119 255 I CB 1.429 39.291 38.000 -0.230 0.000 1.261 255 I HN 0.402 nan 8.210 nan 0.000 0.448 256 D N 6.357 126.637 120.400 -0.200 0.000 2.471 256 D HA 0.283 4.925 4.640 0.005 0.000 0.245 256 D C -1.263 175.068 176.300 0.053 0.000 1.116 256 D CA -0.263 53.741 54.000 0.008 0.000 0.853 256 D CB 1.468 42.364 40.800 0.160 0.000 1.123 256 D HN 0.349 nan 8.370 nan 0.000 0.540 257 N N 4.112 122.855 118.700 0.072 0.000 2.314 257 N HA 0.184 4.927 4.740 0.005 0.000 0.294 257 N C 0.780 176.342 175.510 0.087 0.000 1.029 257 N CA -0.511 52.590 53.050 0.085 0.000 0.845 257 N CB 1.782 40.358 38.487 0.148 0.000 1.321 257 N HN 0.324 nan 8.380 nan 0.000 0.481 258 I N 3.511 124.108 120.570 0.046 0.000 2.614 258 I HA -0.074 4.099 4.170 0.005 0.000 0.258 258 I C 1.695 177.910 176.117 0.162 0.000 1.189 258 I CA 0.818 62.144 61.300 0.044 0.000 1.462 258 I CB -0.419 37.548 38.000 -0.055 0.000 1.092 258 I HN 0.609 nan 8.210 nan 0.000 0.442 259 F N 1.268 121.256 119.950 0.064 0.000 2.171 259 F HA -0.205 4.325 4.527 0.006 0.000 0.300 259 F C 2.271 178.145 175.800 0.124 0.000 1.090 259 F CA 1.349 59.418 58.000 0.116 0.000 1.293 259 F CB -0.288 38.817 39.000 0.175 0.000 1.013 259 F HN -0.058 nan 8.300 nan 0.000 0.486 260 R N 0.026 120.605 120.500 0.132 0.000 2.193 260 R HA -0.189 4.154 4.340 0.005 0.000 0.229 260 R C 2.079 178.351 176.300 -0.047 0.000 1.110 260 R CA 1.239 57.344 56.100 0.009 0.000 0.988 260 R CB -1.740 28.616 30.300 0.094 0.000 0.871 260 R HN 0.493 nan 8.270 nan 0.000 0.458 261 F N 1.601 121.473 119.950 -0.130 0.000 2.113 261 F HA -0.149 4.381 4.527 0.005 0.000 0.297 261 F C 1.879 177.596 175.800 -0.139 0.000 1.103 261 F CA 1.648 59.581 58.000 -0.111 0.000 1.248 261 F CB -0.490 38.456 39.000 -0.090 0.000 0.999 261 F HN -0.116 nan 8.300 nan 0.000 0.475 262 T N 0.249 114.521 114.554 -0.469 0.000 2.777 262 T HA -0.229 4.124 4.350 0.005 0.000 0.266 262 T C 1.903 176.383 174.700 -0.367 0.000 1.040 262 T CA 1.525 63.309 62.100 -0.526 0.000 1.141 262 T CB -0.464 68.195 68.868 -0.348 0.000 0.868 262 T HN 0.407 nan 8.240 nan 0.000 0.444 263 Q N 0.600 120.122 119.800 -0.464 0.000 2.077 263 Q HA -0.192 4.151 4.340 0.005 0.000 0.206 263 Q C 2.543 178.432 176.000 -0.187 0.000 0.989 263 Q CA 1.728 57.341 55.803 -0.316 0.000 0.853 263 Q CB -0.326 28.172 28.738 -0.399 0.000 0.907 263 Q HN 0.574 nan 8.270 nan 0.000 0.418 264 A N 0.218 122.920 122.820 -0.196 0.000 1.883 264 A HA -0.146 4.177 4.320 0.005 0.000 0.217 264 A C 2.263 179.759 177.584 -0.146 0.000 1.186 264 A CA 1.728 53.686 52.037 -0.132 0.000 0.624 264 A CB -1.375 17.570 19.000 -0.092 0.000 0.822 264 A HN 0.604 nan 8.150 nan 0.000 0.444 265 G N -0.079 108.576 108.800 -0.242 0.000 2.442 265 G HA2 -0.251 3.712 3.960 0.005 0.000 0.219 265 G HA3 -0.251 3.712 3.960 0.005 0.000 0.219 265 G C 1.995 176.828 174.900 -0.111 0.000 1.141 265 G CA 1.983 46.957 45.100 -0.210 0.000 0.763 265 G HN 0.901 nan 8.290 nan 0.000 0.554 266 S N 0.939 116.587 115.700 -0.088 0.000 2.368 266 S HA -0.100 4.373 4.470 0.005 0.000 0.224 266 S C 2.013 176.571 174.600 -0.071 0.000 1.029 266 S CA 1.646 59.811 58.200 -0.057 0.000 0.988 266 S CB -0.441 62.706 63.200 -0.089 0.000 0.838 266 S HN 0.607 nan 8.310 nan 0.000 0.462 267 E N 1.241 121.397 120.200 -0.073 0.000 2.160 267 E HA -0.112 4.241 4.350 0.005 0.000 0.195 267 E C 2.287 178.863 176.600 -0.040 0.000 0.991 267 E CA 1.647 58.015 56.400 -0.054 0.000 0.810 267 E CB -0.531 29.141 29.700 -0.047 0.000 0.742 267 E HN 0.751 nan 8.360 nan 0.000 0.466 268 V N -1.849 118.041 119.914 -0.040 0.000 3.174 268 V HA 0.028 4.151 4.120 0.005 0.000 0.254 268 V C 2.296 178.377 176.094 -0.021 0.000 1.120 268 V CA 1.013 63.298 62.300 -0.025 0.000 1.114 268 V CB 0.349 32.160 31.823 -0.019 0.000 0.756 268 V HN 0.082 nan 8.190 nan 0.000 0.467 269 S N 1.272 116.956 115.700 -0.028 0.000 2.387 269 S HA -0.214 4.259 4.470 0.005 0.000 0.230 269 S C 2.142 176.736 174.600 -0.010 0.000 1.035 269 S CA 2.076 60.265 58.200 -0.017 0.000 1.014 269 S CB -0.499 62.693 63.200 -0.014 0.000 0.836 269 S HN 0.947 nan 8.310 nan 0.000 0.466 270 A N 1.312 124.123 122.820 -0.015 0.000 1.858 270 A HA 0.054 4.377 4.320 0.005 0.000 0.216 270 A C 2.070 179.650 177.584 -0.006 0.000 1.190 270 A CA 1.466 53.496 52.037 -0.012 0.000 0.617 270 A CB -0.774 18.215 19.000 -0.017 0.000 0.827 270 A HN 0.584 nan 8.150 nan 0.000 0.443 271 L N -0.543 120.676 121.223 -0.007 0.000 2.551 271 L HA 0.021 4.364 4.340 0.005 0.000 0.228 271 L C 1.623 178.494 176.870 0.003 0.000 1.153 271 L CA 0.185 55.023 54.840 -0.003 0.000 0.851 271 L CB -0.338 41.718 42.059 -0.004 0.000 0.959 271 L HN 0.319 nan 8.230 nan 0.000 0.451 272 L N -0.160 121.064 121.223 0.003 0.000 2.591 272 L HA 0.188 4.531 4.340 0.005 0.000 0.228 272 L C 1.420 178.296 176.870 0.010 0.000 1.133 272 L CA 0.398 55.243 54.840 0.009 0.000 0.880 272 L CB -0.251 41.812 42.059 0.007 0.000 1.033 272 L HN 0.437 nan 8.230 nan 0.000 0.450 273 G N 0.844 109.648 108.800 0.007 0.000 2.147 273 G HA2 -0.296 3.667 3.960 0.005 0.000 0.244 273 G HA3 -0.296 3.667 3.960 0.005 0.000 0.244 273 G C 0.115 175.020 174.900 0.008 0.000 1.005 273 G CA -0.182 44.922 45.100 0.008 0.000 0.713 273 G HN 0.308 nan 8.290 nan 0.000 0.515 274 R N -0.281 120.223 120.500 0.007 0.000 2.308 274 R HA 0.566 4.909 4.340 0.005 0.000 0.305 274 R C 1.190 177.495 176.300 0.008 0.000 1.053 274 R CA -0.585 55.520 56.100 0.009 0.000 0.957 274 R CB 0.670 30.976 30.300 0.010 0.000 1.022 274 R HN 0.360 nan 8.270 nan 0.000 0.461 275 I N 6.049 126.625 120.570 0.011 0.000 2.741 275 I HA 0.005 4.178 4.170 0.005 0.000 0.288 275 I C -1.483 174.644 176.117 0.015 0.000 1.192 275 I CA -1.264 60.043 61.300 0.011 0.000 1.426 275 I CB 0.215 38.223 38.000 0.012 0.000 1.367 275 I HN 0.362 nan 8.210 nan 0.000 0.563 276 P HA 0.046 nan 4.420 nan 0.000 0.269 276 P C -0.361 176.959 177.300 0.033 0.000 1.215 276 P CA -0.177 62.934 63.100 0.018 0.000 0.780 276 P CB 1.064 32.766 31.700 0.004 0.000 0.898 277 S N 0.575 116.309 115.700 0.057 0.000 2.718 277 S HA 0.622 5.095 4.470 0.005 0.000 0.292 277 S C -0.184 174.470 174.600 0.090 0.000 1.125 277 S CA -0.487 57.758 58.200 0.074 0.000 1.013 277 S CB 0.295 63.551 63.200 0.093 0.000 1.192 277 S HN 0.595 nan 8.310 nan 0.000 0.535 278 A N 0.633 123.514 122.820 0.101 0.000 2.584 278 A HA 0.315 4.638 4.320 0.005 0.000 0.239 278 A C 1.024 178.707 177.584 0.166 0.000 1.043 278 A CA 0.527 52.630 52.037 0.110 0.000 0.756 278 A CB -1.089 17.972 19.000 0.103 0.000 0.963 278 A HN 1.718 nan 8.150 nan 0.000 0.511 279 V N 1.177 121.156 119.914 0.109 0.000 3.883 279 V HA -0.304 3.819 4.120 0.005 0.000 0.217 279 V C 1.766 177.832 176.094 -0.046 0.000 0.472 279 V CA 1.524 63.868 62.300 0.073 0.000 0.955 279 V CB -2.586 29.326 31.823 0.148 0.000 1.038 279 V HN 2.933 nan 8.190 nan 0.000 1.215 280 G N -2.723 106.064 108.800 -0.023 0.000 2.162 280 G HA2 -0.345 3.618 3.960 0.005 0.000 0.260 280 G HA3 -0.345 3.618 3.960 0.005 0.000 0.260 280 G C -0.165 174.660 174.900 -0.126 0.000 0.976 280 G CA 0.442 45.491 45.100 -0.086 0.000 0.655 280 G HN 0.925 nan 8.290 nan 0.000 0.533 281 Y N 1.508 121.813 120.300 0.008 0.000 2.299 281 Y HA 0.411 4.963 4.550 0.005 0.000 0.335 281 Y C 1.436 177.326 175.900 -0.017 0.000 1.287 281 Y CA -0.221 57.874 58.100 -0.010 0.000 1.424 281 Y CB 0.513 38.973 38.460 0.001 0.000 1.326 281 Y HN 0.424 nan 8.280 nan 0.000 0.567 282 Q N 2.372 122.276 119.800 0.173 0.000 2.349 282 Q HA 0.001 4.344 4.340 0.005 0.000 0.287 282 Q C -2.358 173.683 176.000 0.069 0.000 1.044 282 Q CA -1.268 54.580 55.803 0.075 0.000 0.918 282 Q CB 0.343 29.098 28.738 0.028 0.000 1.242 282 Q HN 0.406 nan 8.270 nan 0.000 0.405 283 P HA -0.078 nan 4.420 nan 0.000 0.225 283 P C 0.822 178.140 177.300 0.028 0.000 1.148 283 P CA 1.496 64.618 63.100 0.038 0.000 0.779 283 P CB 0.059 31.776 31.700 0.028 0.000 0.780 284 T N -4.294 110.273 114.554 0.022 0.000 3.163 284 T HA 0.151 4.504 4.350 0.005 0.000 0.252 284 T C 1.455 176.163 174.700 0.013 0.000 1.056 284 T CA -0.260 61.851 62.100 0.018 0.000 0.947 284 T CB -0.944 67.933 68.868 0.014 0.000 1.016 284 T HN -0.017 nan 8.240 nan 0.000 0.554 285 L N 0.911 122.135 121.223 0.002 0.000 2.043 285 L HA -0.074 4.269 4.340 0.005 0.000 0.212 285 L C 2.673 179.549 176.870 0.010 0.000 1.075 285 L CA 1.957 56.780 54.840 -0.028 0.000 0.752 285 L CB -0.486 41.530 42.059 -0.071 0.000 0.891 285 L HN 0.419 nan 8.230 nan 0.000 0.432 286 A N -1.480 121.361 122.820 0.035 0.000 1.984 286 A HA -0.088 4.235 4.320 0.005 0.000 0.214 286 A C 2.300 179.947 177.584 0.105 0.000 1.173 286 A CA 1.243 53.326 52.037 0.077 0.000 0.673 286 A CB -0.776 18.260 19.000 0.060 0.000 0.830 286 A HN 0.576 nan 8.150 nan 0.000 0.453 287 T N -2.583 112.017 114.554 0.077 0.000 2.896 287 T HA -0.092 4.261 4.350 0.005 0.000 0.263 287 T C 1.298 176.055 174.700 0.095 0.000 1.050 287 T CA 1.318 63.466 62.100 0.080 0.000 1.140 287 T CB -0.367 68.535 68.868 0.057 0.000 0.877 287 T HN 0.248 nan 8.240 nan 0.000 0.457 288 D N 0.969 121.427 120.400 0.098 0.000 2.123 288 D HA -0.058 4.585 4.640 0.005 0.000 0.196 288 D C 1.952 178.406 176.300 0.257 0.000 0.992 288 D CA 1.129 55.223 54.000 0.156 0.000 0.833 288 D CB -0.359 40.483 40.800 0.071 0.000 0.954 288 D HN 0.396 nan 8.370 nan 0.000 0.455 289 M N 0.195 119.923 119.600 0.213 0.000 2.175 289 M HA -0.045 4.438 4.480 0.005 0.000 0.264 289 M C 2.028 178.300 176.300 -0.047 0.000 1.063 289 M CA 1.699 57.103 55.300 0.174 0.000 1.119 289 M CB -0.089 32.610 32.600 0.166 0.000 1.377 289 M HN 0.013 nan 8.290 nan 0.000 0.415 290 G N 0.507 109.337 108.800 0.050 0.000 2.418 290 G HA2 -0.193 3.770 3.960 0.005 0.000 0.217 290 G HA3 -0.193 3.770 3.960 0.005 0.000 0.217 290 G C 1.390 176.281 174.900 -0.015 0.000 1.158 290 G CA 0.579 45.704 45.100 0.043 0.000 0.771 290 G HN 0.437 nan 8.290 nan 0.000 0.545 291 L N -0.263 120.975 121.223 0.026 0.000 2.265 291 L HA -0.016 4.327 4.340 0.005 0.000 0.215 291 L C 2.570 179.416 176.870 -0.040 0.000 1.117 291 L CA 0.335 55.189 54.840 0.023 0.000 0.782 291 L CB -0.216 41.887 42.059 0.074 0.000 0.914 291 L HN 0.291 nan 8.230 nan 0.000 0.441 292 L N -1.012 120.142 121.223 -0.115 0.000 2.115 292 L HA -0.067 4.276 4.340 0.005 0.000 0.200 292 L C 2.478 179.203 176.870 -0.241 0.000 1.094 292 L CA 1.526 56.217 54.840 -0.248 0.000 0.769 292 L CB -0.866 40.891 42.059 -0.504 0.000 0.931 292 L HN 0.067 nan 8.230 nan 0.000 0.455 293 Q N 0.279 119.889 119.800 -0.316 0.000 2.135 293 Q HA -0.208 4.135 4.340 0.005 0.000 0.204 293 Q C 2.012 177.898 176.000 -0.190 0.000 0.981 293 Q CA 1.661 57.253 55.803 -0.353 0.000 0.856 293 Q CB -0.393 27.886 28.738 -0.764 0.000 0.902 293 Q HN 0.630 nan 8.270 nan 0.000 0.425 294 E N 0.386 120.516 120.200 -0.118 0.000 2.333 294 E HA -0.137 4.216 4.350 0.005 0.000 0.198 294 E C 1.896 178.477 176.600 -0.031 0.000 1.007 294 E CA 0.520 56.909 56.400 -0.018 0.000 0.845 294 E CB -0.019 29.698 29.700 0.029 0.000 0.766 294 E HN 0.344 nan 8.360 nan 0.000 0.507 295 R N 0.192 120.653 120.500 -0.065 0.000 2.093 295 R HA 0.101 4.444 4.340 0.005 0.000 0.224 295 R C 1.042 177.303 176.300 -0.064 0.000 1.101 295 R CA 0.321 56.386 56.100 -0.058 0.000 0.979 295 R CB -0.000 30.256 30.300 -0.073 0.000 0.877 295 R HN 0.081 nan 8.270 nan 0.000 0.441 296 I N 1.805 122.320 120.570 -0.092 0.000 2.372 296 I HA 0.062 4.234 4.170 0.005 0.000 0.298 296 I C 0.210 176.287 176.117 -0.066 0.000 1.137 296 I CA 0.332 61.576 61.300 -0.092 0.000 1.314 296 I CB 0.448 38.369 38.000 -0.131 0.000 1.444 296 I HN -0.009 nan 8.210 nan 0.000 0.541 297 T N 2.857 117.381 114.554 -0.050 0.000 2.700 297 T HA 0.252 4.605 4.350 0.005 0.000 0.307 297 T C -0.792 173.888 174.700 -0.034 0.000 1.580 297 T CA -0.454 61.624 62.100 -0.037 0.000 0.992 297 T CB 1.865 70.721 68.868 -0.021 0.000 1.577 297 T HN 0.341 nan 8.240 nan 0.000 0.496 298 T N 2.725 117.259 114.554 -0.033 0.000 2.738 298 T HA 0.548 4.901 4.350 0.005 0.000 0.298 298 T C 0.626 175.304 174.700 -0.037 0.000 0.962 298 T CA -0.122 61.959 62.100 -0.032 0.000 0.972 298 T CB 0.514 69.364 68.868 -0.030 0.000 0.928 298 T HN 0.838 nan 8.240 nan 0.000 0.474 299 T N 1.558 116.092 114.554 -0.034 0.000 2.865 299 T HA 0.392 4.745 4.350 0.005 0.000 0.302 299 T C 1.337 176.012 174.700 -0.042 0.000 1.078 299 T CA -0.445 61.631 62.100 -0.041 0.000 0.942 299 T CB 0.721 69.568 68.868 -0.035 0.000 1.387 299 T HN 0.368 nan 8.240 nan 0.000 0.557 300 K N -0.535 119.838 120.400 -0.044 0.000 2.365 300 K HA 0.209 4.532 4.320 0.005 0.000 0.197 300 K C 2.229 178.809 176.600 -0.034 0.000 1.042 300 K CA 0.414 56.676 56.287 -0.041 0.000 0.987 300 K CB 0.017 32.491 32.500 -0.044 0.000 0.779 300 K HN 0.487 nan 8.250 nan 0.000 0.484 301 K N -0.550 119.831 120.400 -0.033 0.000 2.305 301 K HA 0.051 4.374 4.320 0.005 0.000 0.199 301 K C 0.263 176.847 176.600 -0.027 0.000 1.047 301 K CA 0.572 56.839 56.287 -0.033 0.000 0.976 301 K CB 0.593 33.070 32.500 -0.039 0.000 0.765 301 K HN 0.223 nan 8.250 nan 0.000 0.474 302 G N -1.005 107.783 108.800 -0.021 0.000 2.322 302 G HA2 0.187 4.150 3.960 0.005 0.000 0.295 302 G HA3 0.187 4.150 3.960 0.005 0.000 0.295 302 G C -1.756 173.140 174.900 -0.007 0.000 1.369 302 G CA -0.641 44.453 45.100 -0.009 0.000 0.821 302 G HN -0.035 nan 8.290 nan 0.000 0.536 303 S N -1.526 114.176 115.700 0.003 0.000 2.566 303 S HA 0.805 5.278 4.470 0.005 0.000 0.298 303 S C -0.939 173.658 174.600 -0.005 0.000 1.083 303 S CA -0.544 57.653 58.200 -0.004 0.000 0.978 303 S CB 1.881 65.080 63.200 -0.002 0.000 1.073 303 S HN 1.274 nan 8.310 nan 0.000 0.491 304 V N 3.436 123.332 119.914 -0.030 0.000 2.525 304 V HA 0.475 4.598 4.120 0.005 0.000 0.299 304 V C -0.461 175.575 176.094 -0.097 0.000 1.034 304 V CA -0.677 61.588 62.300 -0.059 0.000 0.863 304 V CB 1.756 33.543 31.823 -0.060 0.000 0.999 304 V HN 0.975 nan 8.190 nan 0.000 0.423 305 T N 3.324 117.791 114.554 -0.145 0.000 2.756 305 T HA 0.512 4.865 4.350 0.005 0.000 0.290 305 T C 0.047 174.576 174.700 -0.285 0.000 0.985 305 T CA -0.363 61.627 62.100 -0.184 0.000 0.955 305 T CB 1.175 69.931 68.868 -0.186 0.000 0.930 305 T HN 0.808 nan 8.240 nan 0.000 0.451 306 S N 2.603 118.147 115.700 -0.260 0.000 2.500 306 S HA 0.707 5.180 4.470 0.005 0.000 0.301 306 S C -0.709 173.713 174.600 -0.297 0.000 1.092 306 S CA -0.682 57.321 58.200 -0.328 0.000 1.030 306 S CB 1.176 64.221 63.200 -0.259 0.000 1.031 306 S HN 0.403 nan 8.310 nan 0.000 0.483 307 V N 4.171 123.896 119.914 -0.315 0.000 2.417 307 V HA 0.523 4.646 4.120 0.005 0.000 0.291 307 V C -0.533 175.499 176.094 -0.102 0.000 1.024 307 V CA -0.540 61.656 62.300 -0.174 0.000 0.861 307 V CB 1.256 33.086 31.823 0.012 0.000 0.985 307 V HN 0.966 nan 8.190 nan 0.000 0.436 308 Q N 2.952 122.668 119.800 -0.140 0.000 2.321 308 Q HA 0.736 5.078 4.340 0.005 0.000 0.270 308 Q C -0.394 175.511 176.000 -0.158 0.000 1.032 308 Q CA -0.584 55.135 55.803 -0.140 0.000 0.784 308 Q CB 2.511 31.139 28.738 -0.184 0.000 1.264 308 Q HN 0.891 nan 8.270 nan 0.000 0.448 309 A N 2.206 124.978 122.820 -0.081 0.000 2.440 309 A HA 0.499 4.821 4.320 0.005 0.000 0.251 309 A C -0.299 177.204 177.584 -0.134 0.000 1.089 309 A CA -0.272 51.716 52.037 -0.082 0.000 0.779 309 A CB 0.446 19.467 19.000 0.035 0.000 1.022 309 A HN 0.492 nan 8.150 nan 0.000 0.492 310 V N 3.656 123.420 119.914 -0.250 0.000 2.409 310 V HA 0.198 4.321 4.120 0.005 0.000 0.290 310 V C -0.447 175.598 176.094 -0.082 0.000 1.017 310 V CA -0.547 61.607 62.300 -0.243 0.000 0.841 310 V CB 0.780 32.147 31.823 -0.760 0.000 1.003 310 V HN 0.836 nan 8.190 nan 0.000 0.426 311 Y N 4.798 125.029 120.300 -0.115 0.000 2.457 311 Y HA 0.444 4.997 4.550 0.005 0.000 0.341 311 Y C 0.001 175.633 175.900 -0.448 0.000 1.240 311 Y CA 0.262 58.182 58.100 -0.300 0.000 1.437 311 Y CB 1.137 39.332 38.460 -0.442 0.000 1.328 311 Y HN 0.389 nan 8.280 nan 0.000 0.588 312 V N 7.537 126.877 119.914 -0.956 0.000 2.419 312 V HA 0.288 4.410 4.120 0.005 0.000 0.287 312 V C -2.415 173.183 176.094 -0.825 0.000 1.017 312 V CA -1.953 59.985 62.300 -0.603 0.000 0.844 312 V CB 1.391 33.066 31.823 -0.248 0.000 1.011 312 V HN 0.688 nan 8.190 nan 0.000 0.429 313 P HA 0.229 nan 4.420 nan 0.000 0.271 313 P C 0.523 177.752 177.300 -0.119 0.000 1.220 313 P CA 0.476 63.457 63.100 -0.198 0.000 0.768 313 P CB 0.850 32.620 31.700 0.116 0.000 0.848 314 A N 3.697 126.468 122.820 -0.081 0.000 2.748 314 A HA -0.244 4.078 4.320 0.005 0.000 0.297 314 A C 0.597 178.142 177.584 -0.065 0.000 1.508 314 A CA 1.050 53.063 52.037 -0.040 0.000 0.799 314 A CB -2.606 16.399 19.000 0.009 0.000 1.011 314 A HN 0.641 nan 8.150 nan 0.000 0.500 315 D N -1.393 118.931 120.400 -0.127 0.000 2.701 315 D HA -0.167 4.476 4.640 0.005 0.000 0.235 315 D C -0.298 175.963 176.300 -0.064 0.000 1.155 315 D CA 2.142 56.078 54.000 -0.106 0.000 0.649 315 D CB -0.932 39.826 40.800 -0.069 0.000 1.050 315 D HN 0.894 nan 8.370 nan 0.000 0.425 316 D N -0.080 120.287 120.400 -0.057 0.000 2.464 316 D HA 0.280 4.923 4.640 0.005 0.000 0.243 316 D C 1.193 177.503 176.300 0.017 0.000 1.104 316 D CA -0.537 53.458 54.000 -0.009 0.000 0.883 316 D CB 0.360 41.171 40.800 0.019 0.000 1.050 316 D HN 0.069 nan 8.370 nan 0.000 0.524 317 L N 2.209 123.441 121.223 0.016 0.000 2.456 317 L HA -0.037 4.306 4.340 0.005 0.000 0.224 317 L C 1.970 178.886 176.870 0.077 0.000 1.148 317 L CA 1.281 56.153 54.840 0.054 0.000 0.825 317 L CB -0.119 41.945 42.059 0.008 0.000 0.937 317 L HN 0.492 nan 8.230 nan 0.000 0.450 318 T N -5.209 109.374 114.554 0.048 0.000 3.105 318 T HA 0.004 4.357 4.350 0.005 0.000 0.253 318 T C 0.637 175.387 174.700 0.084 0.000 1.047 318 T CA -0.533 61.597 62.100 0.050 0.000 0.944 318 T CB -0.232 68.646 68.868 0.017 0.000 1.016 318 T HN 0.130 nan 8.240 nan 0.000 0.544 319 D N 2.496 122.964 120.400 0.114 0.000 2.455 319 D HA 0.063 4.706 4.640 0.005 0.000 0.241 319 D C -1.446 174.937 176.300 0.137 0.000 1.138 319 D CA -1.536 52.567 54.000 0.172 0.000 0.877 319 D CB 1.694 42.629 40.800 0.225 0.000 1.187 319 D HN -0.008 nan 8.370 nan 0.000 0.451 320 P HA -0.225 nan 4.420 nan 0.000 0.217 320 P C 0.974 178.184 177.300 -0.150 0.000 1.158 320 P CA 2.228 65.281 63.100 -0.079 0.000 0.887 320 P CB 0.061 31.638 31.700 -0.205 0.000 0.792 321 A N 0.174 122.832 122.820 -0.270 0.000 1.842 321 A HA -0.171 4.152 4.320 0.005 0.000 0.217 321 A C -0.001 177.666 177.584 0.139 0.000 1.206 321 A CA 2.882 54.862 52.037 -0.096 0.000 0.630 321 A CB -2.395 16.644 19.000 0.066 0.000 0.839 321 A HN 0.239 nan 8.150 nan 0.000 0.447 322 P HA -0.016 nan 4.420 nan 0.000 0.225 322 P C 1.478 178.927 177.300 0.249 0.000 1.156 322 P CA 1.634 64.920 63.100 0.311 0.000 0.787 322 P CB -0.138 31.798 31.700 0.394 0.000 0.802 323 A N 0.487 123.454 122.820 0.245 0.000 1.908 323 A HA -0.158 4.165 4.320 0.005 0.000 0.218 323 A C 2.280 180.027 177.584 0.271 0.000 1.181 323 A CA 2.526 54.739 52.037 0.293 0.000 0.627 323 A CB -1.954 17.135 19.000 0.149 0.000 0.818 323 A HN 0.211 nan 8.150 nan 0.000 0.445 324 T N -0.432 114.216 114.554 0.157 0.000 2.867 324 T HA -0.085 4.268 4.350 0.005 0.000 0.268 324 T C 1.904 176.708 174.700 0.173 0.000 1.057 324 T CA 1.714 63.890 62.100 0.128 0.000 1.136 324 T CB -0.464 68.453 68.868 0.081 0.000 0.874 324 T HN 0.541 nan 8.240 nan 0.000 0.466 325 T N 1.820 116.489 114.554 0.193 0.000 2.788 325 T HA -0.019 4.334 4.350 0.005 0.000 0.268 325 T C 1.483 176.288 174.700 0.174 0.000 1.044 325 T CA 0.829 63.058 62.100 0.216 0.000 1.139 325 T CB -0.561 68.382 68.868 0.125 0.000 0.867 325 T HN 0.312 nan 8.240 nan 0.000 0.454 326 F N 1.898 121.966 119.950 0.197 0.000 2.225 326 F HA -0.150 4.379 4.527 0.005 0.000 0.302 326 F C 2.525 178.337 175.800 0.021 0.000 1.068 326 F CA 0.711 58.769 58.000 0.098 0.000 1.327 326 F CB -0.787 38.191 39.000 -0.037 0.000 1.043 326 F HN 0.159 nan 8.300 nan 0.000 0.506 327 A N -0.935 121.942 122.820 0.095 0.000 1.972 327 A HA -0.197 4.126 4.320 0.005 0.000 0.219 327 A C 1.801 179.274 177.584 -0.186 0.000 1.169 327 A CA 1.668 53.633 52.037 -0.119 0.000 0.635 327 A CB -0.822 17.994 19.000 -0.307 0.000 0.810 327 A HN 0.470 nan 8.150 nan 0.000 0.446 328 H N -1.336 117.781 119.070 0.078 0.000 2.539 328 H HA 0.312 4.871 4.556 0.005 0.000 0.269 328 H C -0.333 175.013 175.328 0.030 0.000 0.980 328 H CA 0.162 56.234 56.048 0.040 0.000 1.152 328 H CB -0.012 29.757 29.762 0.012 0.000 1.407 328 H HN 0.320 nan 8.280 nan 0.000 0.564 329 L N 1.242 122.548 121.223 0.139 0.000 2.296 329 L HA 0.178 4.521 4.340 0.005 0.000 0.286 329 L C 0.900 177.827 176.870 0.096 0.000 1.023 329 L CA -0.461 54.442 54.840 0.106 0.000 0.812 329 L CB 1.958 44.097 42.059 0.132 0.000 1.223 329 L HN -0.067 nan 8.230 nan 0.000 0.421 330 D N 2.287 122.724 120.400 0.063 0.000 2.277 330 D HA 0.084 4.727 4.640 0.005 0.000 0.208 330 D C 0.451 176.805 176.300 0.090 0.000 0.962 330 D CA 0.660 54.699 54.000 0.065 0.000 0.865 330 D CB 0.755 41.581 40.800 0.043 0.000 0.939 330 D HN 0.548 nan 8.370 nan 0.000 0.510 331 A N 0.659 123.533 122.820 0.090 0.000 2.408 331 A HA 0.508 4.831 4.320 0.005 0.000 0.295 331 A C -0.450 177.222 177.584 0.146 0.000 1.040 331 A CA -0.664 51.461 52.037 0.147 0.000 0.707 331 A CB 1.505 20.637 19.000 0.221 0.000 1.235 331 A HN -0.022 nan 8.150 nan 0.000 0.418 332 T N -0.261 114.426 114.554 0.221 0.000 2.812 332 T HA 0.708 5.061 4.350 0.005 0.000 0.282 332 T C -0.246 174.609 174.700 0.259 0.000 0.990 332 T CA -0.216 62.054 62.100 0.283 0.000 0.960 332 T CB 1.080 70.192 68.868 0.407 0.000 0.948 332 T HN 1.212 nan 8.240 nan 0.000 0.438 333 T N 0.399 115.089 114.554 0.226 0.000 2.770 333 T HA 0.632 4.985 4.350 0.005 0.000 0.283 333 T C -0.324 174.440 174.700 0.106 0.000 0.988 333 T CA -0.761 61.419 62.100 0.133 0.000 0.957 333 T CB 1.000 69.903 68.868 0.059 0.000 0.930 333 T HN 0.588 nan 8.240 nan 0.000 0.443 334 V N 5.082 125.058 119.914 0.104 0.000 2.370 334 V HA 0.396 4.519 4.120 0.005 0.000 0.283 334 V C 0.013 176.132 176.094 0.043 0.000 1.023 334 V CA -0.940 61.435 62.300 0.125 0.000 0.857 334 V CB 1.225 33.111 31.823 0.103 0.000 0.985 334 V HN 0.851 nan 8.190 nan 0.000 0.443 335 L N 4.272 125.516 121.223 0.035 0.000 2.255 335 L HA 0.456 4.799 4.340 0.005 0.000 0.289 335 L C 0.564 177.434 176.870 0.000 0.000 1.046 335 L CA 0.076 54.917 54.840 0.002 0.000 0.816 335 L CB 1.456 43.513 42.059 -0.003 0.000 1.197 335 L HN 0.708 nan 8.230 nan 0.000 0.427 336 S N 3.557 119.247 115.700 -0.017 0.000 2.475 336 S HA 0.234 4.707 4.470 0.005 0.000 0.281 336 S C 1.144 175.718 174.600 -0.043 0.000 1.198 336 S CA -0.594 57.590 58.200 -0.027 0.000 1.063 336 S CB 1.259 64.443 63.200 -0.027 0.000 0.972 336 S HN 0.754 nan 8.310 nan 0.000 0.486 337 R N 3.823 124.301 120.500 -0.037 0.000 2.080 337 R HA -0.091 4.252 4.340 0.005 0.000 0.236 337 R C 2.240 178.513 176.300 -0.045 0.000 1.137 337 R CA 2.087 58.165 56.100 -0.037 0.000 0.943 337 R CB -1.277 29.006 30.300 -0.028 0.000 0.846 337 R HN 0.883 nan 8.270 nan 0.000 0.431 338 G N 1.279 110.056 108.800 -0.038 0.000 2.574 338 G HA2 -0.325 3.638 3.960 0.005 0.000 0.220 338 G HA3 -0.325 3.638 3.960 0.005 0.000 0.220 338 G C 1.461 176.334 174.900 -0.045 0.000 1.173 338 G CA 1.556 46.634 45.100 -0.036 0.000 0.772 338 G HN 0.359 nan 8.290 nan 0.000 0.585 339 I N 1.410 121.947 120.570 -0.056 0.000 2.142 339 I HA -0.208 3.965 4.170 0.005 0.000 0.240 339 I C 3.193 179.216 176.117 -0.158 0.000 1.078 339 I CA 1.678 62.933 61.300 -0.074 0.000 1.343 339 I CB -0.372 37.591 38.000 -0.062 0.000 1.046 339 I HN 0.373 nan 8.210 nan 0.000 0.405 340 S N 0.400 115.966 115.700 -0.223 0.000 2.419 340 S HA -0.213 4.260 4.470 0.005 0.000 0.235 340 S C 1.676 176.122 174.600 -0.256 0.000 1.019 340 S CA 1.346 59.285 58.200 -0.434 0.000 0.982 340 S CB -0.535 62.493 63.200 -0.287 0.000 0.789 340 S HN 0.524 nan 8.310 nan 0.000 0.490 341 E N 0.425 120.561 120.200 -0.107 0.000 2.481 341 E HA 0.189 4.542 4.350 0.005 0.000 0.195 341 E C 1.124 177.713 176.600 -0.018 0.000 1.047 341 E CA 0.238 56.619 56.400 -0.031 0.000 0.867 341 E CB -0.070 29.622 29.700 -0.014 0.000 0.858 341 E HN 0.576 nan 8.360 nan 0.000 0.513 342 L N -0.305 120.895 121.223 -0.038 0.000 2.628 342 L HA 0.215 4.557 4.340 0.005 0.000 0.229 342 L C 1.291 178.174 176.870 0.021 0.000 1.137 342 L CA 0.214 55.053 54.840 -0.002 0.000 0.909 342 L CB 0.229 42.296 42.059 0.014 0.000 1.137 342 L HN 0.231 nan 8.230 nan 0.000 0.470 343 G N 0.485 109.291 108.800 0.010 0.000 2.179 343 G HA2 -0.250 3.713 3.960 0.005 0.000 0.260 343 G HA3 -0.250 3.713 3.960 0.005 0.000 0.260 343 G C 0.362 175.374 174.900 0.187 0.000 0.977 343 G CA -0.352 44.837 45.100 0.147 0.000 0.641 343 G HN 0.190 nan 8.290 nan 0.000 0.533 344 I N 1.660 122.222 120.570 -0.014 0.000 2.311 344 I HA 0.351 4.524 4.170 0.005 0.000 0.297 344 I C -0.028 175.944 176.117 -0.242 0.000 1.131 344 I CA -0.375 60.931 61.300 0.009 0.000 1.289 344 I CB -0.938 37.085 38.000 0.038 0.000 1.446 344 I HN 0.057 nan 8.210 nan 0.000 0.524 345 Y N 7.362 127.655 120.300 -0.012 0.000 2.409 345 Y HA 0.427 4.980 4.550 0.005 0.000 0.339 345 Y C -1.873 173.877 175.900 -0.250 0.000 1.033 345 Y CA -2.578 55.450 58.100 -0.121 0.000 1.094 345 Y CB 1.353 39.724 38.460 -0.149 0.000 1.210 345 Y HN 0.407 nan 8.280 nan 0.000 0.456 346 P HA 0.031 nan 4.420 nan 0.000 0.269 346 P C -0.495 176.814 177.300 0.016 0.000 1.215 346 P CA -0.140 62.965 63.100 0.009 0.000 0.780 346 P CB 0.867 32.675 31.700 0.180 0.000 0.898 347 A N 2.793 125.605 122.820 -0.014 0.000 2.916 347 A HA 0.213 4.536 4.320 0.005 0.000 0.254 347 A C 0.438 178.010 177.584 -0.020 0.000 1.544 347 A CA -0.324 51.659 52.037 -0.091 0.000 1.224 347 A CB -1.238 17.670 19.000 -0.153 0.000 1.012 347 A HN 0.349 nan 8.150 nan 0.000 0.636 348 V N 1.420 121.347 119.914 0.022 0.000 2.479 348 V HA 0.019 4.142 4.120 0.005 0.000 0.281 348 V C 0.477 176.580 176.094 0.015 0.000 1.031 348 V CA -0.462 61.853 62.300 0.026 0.000 1.038 348 V CB 0.831 32.696 31.823 0.070 0.000 0.981 348 V HN 0.583 nan 8.190 nan 0.000 0.478 349 D N 8.546 128.951 120.400 0.009 0.000 2.346 349 D HA 0.107 4.750 4.640 0.005 0.000 0.260 349 D C -1.227 175.077 176.300 0.006 0.000 1.252 349 D CA -1.674 52.328 54.000 0.005 0.000 0.895 349 D CB 1.771 42.568 40.800 -0.004 0.000 1.097 349 D HN 0.327 nan 8.370 nan 0.000 0.489 350 P HA -0.037 nan 4.420 nan 0.000 0.242 350 P C 1.106 178.396 177.300 -0.016 0.000 1.197 350 P CA 0.499 63.595 63.100 -0.007 0.000 0.765 350 P CB 0.563 32.264 31.700 0.000 0.000 0.936 351 L N -1.333 119.882 121.223 -0.013 0.000 2.600 351 L HA 0.219 4.562 4.340 0.005 0.000 0.213 351 L C 2.022 178.873 176.870 -0.030 0.000 1.045 351 L CA 0.441 55.267 54.840 -0.023 0.000 0.863 351 L CB -0.636 41.410 42.059 -0.022 0.000 1.189 351 L HN -0.194 nan 8.230 nan 0.000 0.484 352 D N 0.195 120.576 120.400 -0.031 0.000 2.348 352 D HA -0.031 4.612 4.640 0.005 0.000 0.216 352 D C 0.427 176.713 176.300 -0.023 0.000 0.970 352 D CA 0.358 54.329 54.000 -0.048 0.000 0.889 352 D CB 0.329 41.097 40.800 -0.054 0.000 0.912 352 D HN 0.061 nan 8.370 nan 0.000 0.524 353 S N -0.027 115.679 115.700 0.010 0.000 2.525 353 S HA 0.468 4.941 4.470 0.005 0.000 0.278 353 S C -0.128 174.501 174.600 0.049 0.000 1.234 353 S CA -0.541 57.691 58.200 0.054 0.000 1.058 353 S CB 1.778 65.016 63.200 0.063 0.000 0.983 353 S HN 0.029 nan 8.310 nan 0.000 0.495 354 K N 1.079 121.532 120.400 0.087 0.000 2.464 354 K HA 0.597 4.919 4.320 0.005 0.000 0.253 354 K C -1.009 175.656 176.600 0.108 0.000 0.933 354 K CA -0.424 55.906 56.287 0.071 0.000 0.801 354 K CB 2.112 34.640 32.500 0.046 0.000 1.271 354 K HN 0.518 nan 8.250 nan 0.000 0.430 355 S N 1.097 116.847 115.700 0.084 0.000 2.538 355 S HA 0.298 4.771 4.470 0.005 0.000 0.288 355 S C 0.505 175.148 174.600 0.071 0.000 1.108 355 S CA -0.729 57.531 58.200 0.099 0.000 0.971 355 S CB 1.507 64.767 63.200 0.100 0.000 1.041 355 S HN 0.744 nan 8.310 nan 0.000 0.483 356 R N 2.915 123.459 120.500 0.074 0.000 2.120 356 R HA 0.044 4.387 4.340 0.005 0.000 0.234 356 R C 1.252 177.581 176.300 0.047 0.000 1.123 356 R CA 1.565 57.699 56.100 0.056 0.000 0.975 356 R CB -0.341 29.992 30.300 0.054 0.000 0.866 356 R HN 0.785 nan 8.270 nan 0.000 0.446 357 L N 0.800 122.051 121.223 0.047 0.000 2.554 357 L HA 0.009 4.352 4.340 0.005 0.000 0.226 357 L C 0.870 177.745 176.870 0.009 0.000 1.137 357 L CA -0.191 54.664 54.840 0.026 0.000 0.863 357 L CB -0.052 42.023 42.059 0.027 0.000 0.985 357 L HN 0.142 nan 8.230 nan 0.000 0.451 358 L N 1.432 122.669 121.223 0.024 0.000 2.388 358 L HA 0.129 4.472 4.340 0.005 0.000 0.252 358 L C -0.341 176.622 176.870 0.155 0.000 1.357 358 L CA 0.540 55.398 54.840 0.030 0.000 1.214 358 L CB -0.560 41.497 42.059 -0.002 0.000 1.392 358 L HN 0.037 nan 8.230 nan 0.000 0.432 359 D N 1.166 121.638 120.400 0.119 0.000 2.575 359 D HA 0.361 5.004 4.640 0.005 0.000 0.236 359 D C 0.646 176.966 176.300 0.033 0.000 1.075 359 D CA 0.075 54.130 54.000 0.092 0.000 0.860 359 D CB 2.414 43.217 40.800 0.005 0.000 1.475 359 D HN 0.278 nan 8.370 nan 0.000 0.474 360 A N 2.234 124.942 122.820 -0.186 0.000 2.019 360 A HA 0.039 4.362 4.320 0.005 0.000 0.219 360 A C 1.495 179.029 177.584 -0.083 0.000 1.164 360 A CA 1.799 53.733 52.037 -0.172 0.000 0.644 360 A CB -0.164 18.588 19.000 -0.413 0.000 0.805 360 A HN 0.493 nan 8.150 nan 0.000 0.449 361 A N -1.008 121.761 122.820 -0.085 0.000 2.415 361 A HA 0.509 4.832 4.320 0.005 0.000 0.248 361 A C 1.134 178.699 177.584 -0.031 0.000 1.299 361 A CA 0.617 52.623 52.037 -0.051 0.000 0.899 361 A CB 0.014 18.981 19.000 -0.054 0.000 0.997 361 A HN 0.339 nan 8.150 nan 0.000 0.506 362 V N -1.328 118.567 119.914 -0.031 0.000 3.350 362 V HA -0.009 4.114 4.120 0.005 0.000 0.246 362 V C 1.860 177.932 176.094 -0.037 0.000 1.363 362 V CA 1.137 63.421 62.300 -0.026 0.000 1.162 362 V CB 0.616 32.426 31.823 -0.022 0.000 0.947 362 V HN 0.487 nan 8.190 nan 0.000 0.454 363 V N -1.645 118.227 119.914 -0.070 0.000 3.661 363 V HA 0.787 4.910 4.120 0.005 0.000 0.271 363 V C 0.795 176.889 176.094 0.000 0.000 1.315 363 V CA 0.428 62.647 62.300 -0.135 0.000 1.072 363 V CB -0.091 31.406 31.823 -0.543 0.000 0.830 363 V HN 0.992 nan 8.190 nan 0.000 0.443 364 G N 0.995 109.810 108.800 0.025 0.000 2.907 364 G HA2 -0.181 3.782 3.960 0.005 0.000 0.686 364 G HA3 -0.181 3.782 3.960 0.005 0.000 0.686 364 G C -0.134 174.830 174.900 0.106 0.000 1.115 364 G CA 0.281 45.422 45.100 0.070 0.000 0.760 364 G HN 0.612 nan 8.290 nan 0.000 0.620 365 Q N 0.212 120.054 119.800 0.071 0.000 2.135 365 Q HA -0.093 4.250 4.340 0.005 0.000 0.204 365 Q C 2.239 178.337 176.000 0.163 0.000 0.981 365 Q CA 2.522 58.376 55.803 0.085 0.000 0.856 365 Q CB -0.059 28.697 28.738 0.029 0.000 0.902 365 Q HN 0.684 nan 8.270 nan 0.000 0.425 366 E N -0.495 119.787 120.200 0.137 0.000 2.051 366 E HA -0.217 4.136 4.350 0.005 0.000 0.192 366 E C 1.926 178.634 176.600 0.180 0.000 0.991 366 E CA 1.313 57.795 56.400 0.136 0.000 0.799 366 E CB -0.389 29.371 29.700 0.100 0.000 0.748 366 E HN 0.545 nan 8.360 nan 0.000 0.449 367 H N -0.084 119.035 119.070 0.082 0.000 2.321 367 H HA -0.175 4.384 4.556 0.005 0.000 0.300 367 H C 1.981 177.353 175.328 0.074 0.000 1.087 367 H CA 1.795 57.882 56.048 0.063 0.000 1.319 367 H CB -0.639 29.155 29.762 0.054 0.000 1.379 367 H HN 0.232 nan 8.280 nan 0.000 0.501 368 Y N 1.473 121.889 120.300 0.194 0.000 2.128 368 Y HA -0.208 4.346 4.550 0.006 0.000 0.284 368 Y C 2.166 178.119 175.900 0.088 0.000 1.154 368 Y CA 2.114 60.268 58.100 0.091 0.000 1.149 368 Y CB -0.186 38.284 38.460 0.018 0.000 0.976 368 Y HN 0.184 nan 8.280 nan 0.000 0.505 369 D N -0.608 119.948 120.400 0.260 0.000 2.144 369 D HA -0.174 4.469 4.640 0.005 0.000 0.199 369 D C 2.383 178.713 176.300 0.050 0.000 0.984 369 D CA 1.497 55.592 54.000 0.158 0.000 0.834 369 D CB -0.394 40.504 40.800 0.163 0.000 0.955 369 D HN 0.301 nan 8.370 nan 0.000 0.465 370 V N 1.480 121.428 119.914 0.056 0.000 2.220 370 V HA -0.268 3.855 4.120 0.005 0.000 0.246 370 V C 2.572 178.651 176.094 -0.026 0.000 1.049 370 V CA 2.055 64.372 62.300 0.030 0.000 1.003 370 V CB -0.967 30.870 31.823 0.022 0.000 0.634 370 V HN 0.197 nan 8.190 nan 0.000 0.444 371 A N -0.681 122.098 122.820 -0.068 0.000 1.908 371 A HA -0.244 4.079 4.320 0.005 0.000 0.218 371 A C 2.483 179.974 177.584 -0.155 0.000 1.181 371 A CA 2.355 54.315 52.037 -0.128 0.000 0.627 371 A CB -0.824 18.112 19.000 -0.107 0.000 0.818 371 A HN 0.496 nan 8.150 nan 0.000 0.445 372 S N -0.378 115.188 115.700 -0.223 0.000 2.359 372 S HA -0.179 4.294 4.470 0.005 0.000 0.223 372 S C 2.022 176.572 174.600 -0.084 0.000 1.039 372 S CA 1.723 59.797 58.200 -0.210 0.000 1.042 372 S CB -0.239 62.811 63.200 -0.250 0.000 0.915 372 S HN 0.622 nan 8.310 nan 0.000 0.439 373 K N 0.555 120.932 120.400 -0.039 0.000 2.155 373 K HA 0.022 4.345 4.320 0.005 0.000 0.203 373 K C 2.069 178.675 176.600 0.010 0.000 1.052 373 K CA 0.747 57.035 56.287 0.002 0.000 0.948 373 K CB -0.402 32.115 32.500 0.028 0.000 0.728 373 K HN 0.201 nan 8.250 nan 0.000 0.448 374 V N 2.064 121.980 119.914 0.003 0.000 2.252 374 V HA -0.321 3.801 4.120 0.005 0.000 0.249 374 V C 2.340 178.434 176.094 0.000 0.000 1.056 374 V CA 1.861 64.170 62.300 0.015 0.000 1.022 374 V CB -0.519 31.287 31.823 -0.029 0.000 0.641 374 V HN 0.379 nan 8.190 nan 0.000 0.445 375 Q N -0.684 119.097 119.800 -0.032 0.000 2.050 375 Q HA -0.244 4.099 4.340 0.005 0.000 0.202 375 Q C 2.378 178.375 176.000 -0.005 0.000 0.980 375 Q CA 1.884 57.671 55.803 -0.027 0.000 0.840 375 Q CB -0.223 28.482 28.738 -0.055 0.000 0.898 375 Q HN 0.671 nan 8.270 nan 0.000 0.424 376 E N -0.330 119.868 120.200 -0.004 0.000 2.070 376 E HA -0.207 4.146 4.350 0.005 0.000 0.197 376 E C 2.023 178.639 176.600 0.027 0.000 1.004 376 E CA 1.750 58.156 56.400 0.010 0.000 0.805 376 E CB 0.002 29.710 29.700 0.012 0.000 0.744 376 E HN 0.381 nan 8.360 nan 0.000 0.451 377 T N 1.522 116.096 114.554 0.032 0.000 2.674 377 T HA -0.129 4.224 4.350 0.005 0.000 0.265 377 T C 2.024 176.768 174.700 0.074 0.000 1.039 377 T CA 0.890 63.017 62.100 0.045 0.000 1.150 377 T CB -0.271 68.620 68.868 0.038 0.000 0.864 377 T HN 0.097 nan 8.240 nan 0.000 0.427 378 L N 0.818 122.083 121.223 0.070 0.000 2.131 378 L HA -0.121 4.222 4.340 0.005 0.000 0.210 378 L C 2.847 179.777 176.870 0.100 0.000 1.092 378 L CA 1.115 56.019 54.840 0.107 0.000 0.759 378 L CB -0.476 41.628 42.059 0.075 0.000 0.903 378 L HN 0.245 nan 8.230 nan 0.000 0.435 379 Q N -0.202 119.631 119.800 0.054 0.000 2.167 379 Q HA -0.137 4.206 4.340 0.005 0.000 0.202 379 Q C 1.966 177.989 176.000 0.037 0.000 0.970 379 Q CA 1.991 57.812 55.803 0.030 0.000 0.855 379 Q CB -0.108 28.637 28.738 0.011 0.000 0.911 379 Q HN 0.394 nan 8.270 nan 0.000 0.438 380 T N -0.450 114.141 114.554 0.062 0.000 2.812 380 T HA -0.125 4.228 4.350 0.005 0.000 0.264 380 T C 1.221 175.984 174.700 0.106 0.000 1.042 380 T CA 1.162 63.301 62.100 0.066 0.000 1.140 380 T CB -0.591 68.316 68.868 0.064 0.000 0.870 380 T HN 0.381 nan 8.240 nan 0.000 0.445 381 Y N 2.234 122.533 120.300 -0.002 0.000 2.274 381 Y HA -0.025 4.528 4.550 0.006 0.000 0.290 381 Y C 2.356 178.253 175.900 -0.004 0.000 1.145 381 Y CA 1.028 59.127 58.100 -0.002 0.000 1.203 381 Y CB -0.226 38.234 38.460 0.001 0.000 0.984 381 Y HN 0.050 nan 8.280 nan 0.000 0.533 382 K N -0.803 119.556 120.400 -0.068 0.000 2.062 382 K HA -0.102 4.221 4.320 0.005 0.000 0.205 382 K C 2.100 178.632 176.600 -0.114 0.000 1.051 382 K CA 1.392 57.594 56.287 -0.143 0.000 0.941 382 K CB -0.203 32.261 32.500 -0.059 0.000 0.719 382 K HN 0.193 nan 8.250 nan 0.000 0.440 383 S N 0.731 116.398 115.700 -0.054 0.000 2.507 383 S HA 0.005 4.478 4.470 0.005 0.000 0.235 383 S C 1.402 175.975 174.600 -0.045 0.000 0.988 383 S CA 0.679 58.856 58.200 -0.039 0.000 0.944 383 S CB 0.035 63.227 63.200 -0.013 0.000 0.762 383 S HN 0.274 nan 8.310 nan 0.000 0.526 384 L N 0.172 121.356 121.223 -0.065 0.000 2.701 384 L HA 0.156 4.499 4.340 0.005 0.000 0.238 384 L C 2.053 178.858 176.870 -0.109 0.000 1.106 384 L CA -0.053 54.754 54.840 -0.055 0.000 0.898 384 L CB -0.189 41.870 42.059 -0.000 0.000 1.188 384 L HN 0.038 nan 8.230 nan 0.000 0.508 385 Q N 0.920 120.596 119.800 -0.207 0.000 2.165 385 Q HA -0.303 4.040 4.340 0.005 0.000 0.215 385 Q C 1.264 177.182 176.000 -0.136 0.000 1.010 385 Q CA 2.189 57.840 55.803 -0.253 0.000 0.896 385 Q CB -0.339 28.242 28.738 -0.261 0.000 0.956 385 Q HN 0.570 nan 8.270 nan 0.000 0.413 386 D N -0.348 119.995 120.400 -0.094 0.000 2.183 386 D HA 0.018 4.661 4.640 0.005 0.000 0.205 386 D C 2.153 178.428 176.300 -0.042 0.000 0.962 386 D CA 0.264 54.227 54.000 -0.061 0.000 0.849 386 D CB -0.143 40.627 40.800 -0.051 0.000 0.978 386 D HN 0.237 nan 8.370 nan 0.000 0.488 387 I N 1.509 122.056 120.570 -0.037 0.000 2.194 387 I HA -0.266 3.907 4.170 0.005 0.000 0.246 387 I C 2.163 178.271 176.117 -0.015 0.000 1.093 387 I CA 0.777 62.065 61.300 -0.021 0.000 1.355 387 I CB -0.065 37.927 38.000 -0.014 0.000 1.046 387 I HN -0.011 nan 8.210 nan 0.000 0.413 388 I N 0.864 121.422 120.570 -0.020 0.000 2.110 388 I HA -0.201 3.972 4.170 0.005 0.000 0.236 388 I C 2.903 179.015 176.117 -0.009 0.000 1.068 388 I CA 1.664 62.962 61.300 -0.004 0.000 1.333 388 I CB -2.056 35.949 38.000 0.007 0.000 1.054 388 I HN 0.148 nan 8.210 nan 0.000 0.402 389 A N 1.425 124.229 122.820 -0.026 0.000 1.958 389 A HA -0.205 4.118 4.320 0.005 0.000 0.221 389 A C 2.295 179.870 177.584 -0.014 0.000 1.178 389 A CA 1.797 53.821 52.037 -0.022 0.000 0.642 389 A CB -0.646 18.332 19.000 -0.035 0.000 0.816 389 A HN 0.358 nan 8.150 nan 0.000 0.453 390 I N -1.172 119.389 120.570 -0.015 0.000 2.270 390 I HA -0.061 4.112 4.170 0.005 0.000 0.239 390 I C 2.193 178.307 176.117 -0.005 0.000 1.080 390 I CA 1.233 62.527 61.300 -0.010 0.000 1.383 390 I CB -1.157 36.836 38.000 -0.012 0.000 1.097 390 I HN 0.265 nan 8.210 nan 0.000 0.420 391 L N -0.366 120.854 121.223 -0.004 0.000 2.590 391 L HA 0.351 4.694 4.340 0.005 0.000 0.227 391 L C 1.007 177.880 176.870 0.005 0.000 1.099 391 L CA 0.232 55.072 54.840 0.000 0.000 0.872 391 L CB -0.068 41.991 42.059 -0.000 0.000 1.088 391 L HN 0.436 nan 8.230 nan 0.000 0.479 392 G N -0.123 108.681 108.800 0.007 0.000 2.796 392 G HA2 -0.262 3.701 3.960 0.005 0.000 0.571 392 G HA3 -0.262 3.701 3.960 0.005 0.000 0.571 392 G C 0.359 175.271 174.900 0.020 0.000 1.370 392 G CA -0.219 44.890 45.100 0.015 0.000 0.856 392 G HN -0.117 nan 8.290 nan 0.000 0.538 393 M N -0.092 119.523 119.600 0.026 0.000 2.296 393 M HA -0.027 4.456 4.480 0.005 0.000 0.265 393 M C 1.904 178.217 176.300 0.021 0.000 1.064 393 M CA 1.790 57.108 55.300 0.030 0.000 1.109 393 M CB -1.064 31.555 32.600 0.031 0.000 1.396 393 M HN 0.592 nan 8.290 nan 0.000 0.430 394 D N 0.749 121.158 120.400 0.016 0.000 2.265 394 D HA -0.123 4.519 4.640 0.005 0.000 0.208 394 D C 1.300 177.607 176.300 0.011 0.000 0.977 394 D CA 0.950 54.958 54.000 0.012 0.000 0.871 394 D CB 0.072 40.877 40.800 0.009 0.000 0.925 394 D HN 0.341 nan 8.370 nan 0.000 0.485 395 E N -0.131 120.076 120.200 0.011 0.000 2.444 395 E HA 0.147 4.500 4.350 0.005 0.000 0.191 395 E C 0.359 176.966 176.600 0.011 0.000 1.041 395 E CA -0.155 56.251 56.400 0.009 0.000 0.883 395 E CB 0.657 30.361 29.700 0.006 0.000 1.024 395 E HN 0.316 nan 8.360 nan 0.000 0.470 396 L N 1.579 122.811 121.223 0.015 0.000 2.309 396 L HA 0.217 4.560 4.340 0.005 0.000 0.282 396 L C 0.793 177.673 176.870 0.016 0.000 1.036 396 L CA -0.659 54.191 54.840 0.018 0.000 0.806 396 L CB 1.557 43.632 42.059 0.027 0.000 1.220 396 L HN -0.015 nan 8.230 nan 0.000 0.429 397 S N 1.728 117.436 115.700 0.015 0.000 2.573 397 S HA 0.013 4.486 4.470 0.005 0.000 0.277 397 S C 0.963 175.572 174.600 0.014 0.000 1.346 397 S CA -0.412 57.795 58.200 0.013 0.000 1.034 397 S CB 0.962 64.169 63.200 0.012 0.000 0.879 397 S HN 0.612 nan 8.310 nan 0.000 0.528 398 E N 1.995 122.202 120.200 0.012 0.000 2.153 398 E HA -0.152 4.201 4.350 0.005 0.000 0.194 398 E C 2.123 178.730 176.600 0.012 0.000 0.988 398 E CA 1.385 57.791 56.400 0.011 0.000 0.811 398 E CB -0.377 29.328 29.700 0.008 0.000 0.746 398 E HN 0.799 nan 8.360 nan 0.000 0.466 399 Q N 0.506 120.313 119.800 0.013 0.000 2.002 399 Q HA -0.184 4.159 4.340 0.005 0.000 0.204 399 Q C 1.875 177.886 176.000 0.018 0.000 0.988 399 Q CA 1.533 57.344 55.803 0.014 0.000 0.843 399 Q CB -0.168 28.579 28.738 0.015 0.000 0.908 399 Q HN 0.213 nan 8.270 nan 0.000 0.420 400 D N 0.644 121.057 120.400 0.022 0.000 2.106 400 D HA -0.163 4.480 4.640 0.005 0.000 0.191 400 D C 1.679 178.000 176.300 0.034 0.000 0.997 400 D CA 1.199 55.218 54.000 0.032 0.000 0.834 400 D CB -0.187 40.633 40.800 0.033 0.000 0.956 400 D HN 0.090 nan 8.370 nan 0.000 0.448 401 K N -0.224 120.193 120.400 0.027 0.000 2.160 401 K HA -0.183 4.140 4.320 0.005 0.000 0.206 401 K C 2.039 178.646 176.600 0.011 0.000 1.047 401 K CA 0.696 56.998 56.287 0.024 0.000 0.930 401 K CB -0.175 32.336 32.500 0.018 0.000 0.720 401 K HN 0.070 nan 8.250 nan 0.000 0.450 402 L N 0.375 121.603 121.223 0.008 0.000 2.068 402 L HA -0.091 4.252 4.340 0.005 0.000 0.204 402 L C 1.863 178.726 176.870 -0.012 0.000 1.076 402 L CA 1.870 56.708 54.840 -0.003 0.000 0.753 402 L CB -0.594 41.466 42.059 0.002 0.000 0.910 402 L HN 0.066 nan 8.230 nan 0.000 0.439 403 T N -1.476 113.079 114.554 0.002 0.000 2.962 403 T HA -0.091 4.262 4.350 0.005 0.000 0.270 403 T C 1.929 176.616 174.700 -0.022 0.000 1.088 403 T CA 1.234 63.334 62.100 -0.000 0.000 1.127 403 T CB -0.390 68.491 68.868 0.022 0.000 0.883 403 T HN 0.197 nan 8.240 nan 0.000 0.493 404 V N 1.485 121.392 119.914 -0.012 0.000 2.379 404 V HA -0.099 4.024 4.120 0.005 0.000 0.245 404 V C 2.478 178.459 176.094 -0.188 0.000 1.044 404 V CA 1.465 63.723 62.300 -0.070 0.000 1.036 404 V CB -0.481 31.389 31.823 0.079 0.000 0.664 404 V HN 0.484 nan 8.190 nan 0.000 0.453 405 E N -0.243 119.895 120.200 -0.103 0.000 2.153 405 E HA -0.223 4.129 4.350 0.005 0.000 0.194 405 E C 2.382 178.895 176.600 -0.145 0.000 0.988 405 E CA 1.088 57.424 56.400 -0.107 0.000 0.811 405 E CB -0.103 29.565 29.700 -0.053 0.000 0.746 405 E HN 0.418 nan 8.360 nan 0.000 0.466 406 R N 0.203 120.625 120.500 -0.130 0.000 2.062 406 R HA 0.013 4.356 4.340 0.005 0.000 0.226 406 R C 2.221 178.413 176.300 -0.180 0.000 1.125 406 R CA 1.060 57.079 56.100 -0.135 0.000 0.966 406 R CB -0.099 30.161 30.300 -0.067 0.000 0.861 406 R HN 0.133 nan 8.270 nan 0.000 0.433 407 A N 0.822 123.526 122.820 -0.194 0.000 1.972 407 A HA -0.132 4.191 4.320 0.005 0.000 0.219 407 A C 2.054 179.441 177.584 -0.329 0.000 1.169 407 A CA 1.133 53.038 52.037 -0.220 0.000 0.635 407 A CB -0.349 18.519 19.000 -0.221 0.000 0.810 407 A HN 0.288 nan 8.150 nan 0.000 0.446 408 R N -0.222 120.010 120.500 -0.446 0.000 2.092 408 R HA -0.089 4.253 4.340 0.005 0.000 0.231 408 R C 2.103 178.270 176.300 -0.221 0.000 1.119 408 R CA 1.589 57.470 56.100 -0.364 0.000 0.970 408 R CB -0.202 29.907 30.300 -0.319 0.000 0.864 408 R HN 0.523 nan 8.270 nan 0.000 0.440 409 K N 0.476 120.692 120.400 -0.305 0.000 2.025 409 K HA -0.062 4.261 4.320 0.005 0.000 0.207 409 K C 2.090 178.453 176.600 -0.395 0.000 1.049 409 K CA 1.180 57.145 56.287 -0.536 0.000 0.933 409 K CB -0.148 31.778 32.500 -0.956 0.000 0.714 409 K HN 0.098 nan 8.250 nan 0.000 0.438 410 I N 1.455 121.896 120.570 -0.216 0.000 2.194 410 I HA -0.364 3.809 4.170 0.005 0.000 0.246 410 I C 2.792 179.019 176.117 0.183 0.000 1.093 410 I CA 1.456 62.801 61.300 0.074 0.000 1.355 410 I CB -0.225 37.844 38.000 0.116 0.000 1.046 410 I HN 0.285 nan 8.210 nan 0.000 0.413 411 Q N 0.708 120.551 119.800 0.073 0.000 2.119 411 Q HA -0.191 4.152 4.340 0.005 0.000 0.201 411 Q C 2.290 178.384 176.000 0.157 0.000 0.972 411 Q CA 1.461 57.330 55.803 0.110 0.000 0.847 411 Q CB 0.079 28.865 28.738 0.080 0.000 0.903 411 Q HN 0.369 nan 8.270 nan 0.000 0.433 412 R N -0.985 119.611 120.500 0.160 0.000 2.153 412 R HA -0.053 4.290 4.340 0.005 0.000 0.218 412 R C 1.852 178.336 176.300 0.306 0.000 1.072 412 R CA 0.718 56.968 56.100 0.250 0.000 0.990 412 R CB -0.092 30.373 30.300 0.275 0.000 0.889 412 R HN 0.233 nan 8.270 nan 0.000 0.452 413 F N 0.961 120.974 119.950 0.105 0.000 2.407 413 F HA 0.017 4.550 4.527 0.009 0.000 0.299 413 F C 1.400 177.368 175.800 0.280 0.000 1.097 413 F CA 0.977 59.055 58.000 0.130 0.000 1.422 413 F CB -0.041 38.890 39.000 -0.115 0.000 1.067 413 F HN -0.076 nan 8.300 nan 0.000 0.539 414 L N -0.343 121.107 121.223 0.378 0.000 2.418 414 L HA 0.014 4.357 4.340 0.005 0.000 0.218 414 L C 1.223 178.172 176.870 0.132 0.000 1.125 414 L CA 0.363 55.328 54.840 0.208 0.000 0.835 414 L CB -0.602 41.531 42.059 0.123 0.000 0.953 414 L HN 0.041 nan 8.230 nan 0.000 0.454 415 S N -0.140 115.634 115.700 0.123 0.000 2.545 415 S HA 0.393 4.866 4.470 0.005 0.000 0.275 415 S C -0.416 174.183 174.600 -0.001 0.000 1.299 415 S CA -0.556 57.660 58.200 0.026 0.000 1.048 415 S CB 1.648 64.831 63.200 -0.027 0.000 0.938 415 S HN 0.272 nan 8.310 nan 0.000 0.496 416 Q N 2.110 121.899 119.800 -0.019 0.000 2.309 416 Q HA 0.458 4.801 4.340 0.005 0.000 0.273 416 Q C -3.038 173.002 176.000 0.066 0.000 1.040 416 Q CA -2.386 53.455 55.803 0.062 0.000 0.834 416 Q CB 2.354 31.211 28.738 0.198 0.000 1.345 416 Q HN 0.500 nan 8.270 nan 0.000 0.414 417 P HA 0.133 nan 4.420 nan 0.000 0.271 417 P C -1.125 176.364 177.300 0.314 0.000 1.233 417 P CA 0.063 63.234 63.100 0.119 0.000 0.764 417 P CB 0.144 31.878 31.700 0.056 0.000 0.825 418 F N 2.186 122.127 119.950 -0.014 0.000 2.408 418 F HA 0.365 4.895 4.527 0.005 0.000 0.344 418 F C 1.741 177.530 175.800 -0.018 0.000 1.112 418 F CA -1.201 56.781 58.000 -0.031 0.000 1.096 418 F CB 0.827 39.806 39.000 -0.036 0.000 1.129 418 F HN 0.393 nan 8.300 nan 0.000 0.486 419 A N 3.436 126.284 122.820 0.048 0.000 1.903 419 A HA -0.173 4.150 4.320 0.005 0.000 0.219 419 A C 1.987 179.592 177.584 0.035 0.000 1.191 419 A CA 2.422 54.465 52.037 0.009 0.000 0.638 419 A CB -0.995 17.970 19.000 -0.057 0.000 0.823 419 A HN 0.547 nan 8.150 nan 0.000 0.451 420 V N -0.956 118.986 119.914 0.047 0.000 2.970 420 V HA 0.005 4.128 4.120 0.005 0.000 0.260 420 V C 2.293 178.484 176.094 0.162 0.000 1.100 420 V CA 1.342 63.687 62.300 0.074 0.000 1.122 420 V CB -0.986 30.871 31.823 0.058 0.000 0.721 420 V HN 0.597 nan 8.190 nan 0.000 0.483 421 A N -0.559 122.395 122.820 0.224 0.000 2.415 421 A HA 0.170 4.493 4.320 0.005 0.000 0.248 421 A C 1.859 179.566 177.584 0.207 0.000 1.299 421 A CA 0.124 52.358 52.037 0.329 0.000 0.899 421 A CB -0.350 18.804 19.000 0.257 0.000 0.997 421 A HN 0.499 nan 8.150 nan 0.000 0.506 422 E N -0.597 119.645 120.200 0.070 0.000 2.118 422 E HA -0.149 4.204 4.350 0.005 0.000 0.195 422 E C 1.556 178.094 176.600 -0.102 0.000 0.992 422 E CA 1.362 57.760 56.400 -0.004 0.000 0.804 422 E CB -0.084 29.605 29.700 -0.020 0.000 0.741 422 E HN 0.342 nan 8.360 nan 0.000 0.458 423 V N 0.168 119.914 119.914 -0.279 0.000 2.720 423 V HA -0.208 3.915 4.120 0.005 0.000 0.256 423 V C 1.147 176.884 176.094 -0.594 0.000 1.082 423 V CA 1.474 63.464 62.300 -0.516 0.000 1.101 423 V CB -0.323 31.061 31.823 -0.731 0.000 0.693 423 V HN 0.285 nan 8.190 nan 0.000 0.479 424 F N -0.460 119.470 119.950 -0.034 0.000 2.453 424 F HA 0.025 4.555 4.527 0.004 0.000 0.284 424 F C 2.570 178.346 175.800 -0.040 0.000 1.065 424 F CA 0.993 58.962 58.000 -0.053 0.000 1.411 424 F CB -1.267 37.666 39.000 -0.112 0.000 1.131 424 F HN 0.153 nan 8.300 nan 0.000 0.582 425 T N -1.932 112.704 114.554 0.137 0.000 2.674 425 T HA 0.103 4.456 4.350 0.005 0.000 0.265 425 T C 2.053 176.794 174.700 0.069 0.000 1.039 425 T CA 1.242 63.396 62.100 0.091 0.000 1.150 425 T CB -1.147 67.763 68.868 0.071 0.000 0.864 425 T HN 0.519 nan 8.240 nan 0.000 0.427 426 G N 1.366 110.185 108.800 0.031 0.000 2.143 426 G HA2 -0.184 3.779 3.960 0.005 0.000 0.249 426 G HA3 -0.184 3.779 3.960 0.005 0.000 0.249 426 G C -0.028 174.886 174.900 0.024 0.000 0.981 426 G CA 0.205 45.315 45.100 0.018 0.000 0.665 426 G HN 0.694 nan 8.290 nan 0.000 0.528 427 I N 1.500 122.087 120.570 0.029 0.000 2.608 427 I HA 0.457 4.630 4.170 0.005 0.000 0.295 427 I C -2.031 174.099 176.117 0.022 0.000 1.049 427 I CA -2.795 58.522 61.300 0.028 0.000 1.063 427 I CB 2.493 40.514 38.000 0.035 0.000 1.248 427 I HN -0.148 nan 8.210 nan 0.000 0.424 428 P HA 0.121 nan 4.420 nan 0.000 0.271 428 P C -0.208 177.105 177.300 0.022 0.000 1.218 428 P CA -0.155 62.952 63.100 0.012 0.000 0.780 428 P CB 0.580 32.283 31.700 0.005 0.000 0.901 429 G N 2.856 111.670 108.800 0.023 0.000 2.390 429 G HA2 0.342 4.305 3.960 0.005 0.000 0.270 429 G HA3 0.342 4.305 3.960 0.005 0.000 0.270 429 G C -0.276 174.633 174.900 0.016 0.000 1.211 429 G CA -0.547 44.575 45.100 0.036 0.000 0.842 429 G HN 0.337 nan 8.290 nan 0.000 0.519 430 K N 1.539 121.956 120.400 0.029 0.000 2.221 430 K HA 0.466 4.789 4.320 0.005 0.000 0.243 430 K C -0.987 175.605 176.600 -0.014 0.000 0.968 430 K CA -0.894 55.400 56.287 0.012 0.000 0.846 430 K CB 2.879 35.396 32.500 0.029 0.000 1.141 430 K HN 0.354 nan 8.250 nan 0.000 0.434 431 L N 2.142 123.349 121.223 -0.026 0.000 2.529 431 L HA 0.186 4.529 4.340 0.005 0.000 0.246 431 L C -0.981 175.871 176.870 -0.029 0.000 1.394 431 L CA -0.741 54.067 54.840 -0.053 0.000 0.906 431 L CB 1.088 43.105 42.059 -0.069 0.000 1.170 431 L HN 0.294 nan 8.230 nan 0.000 0.501 432 V N 2.057 121.964 119.914 -0.013 0.000 2.788 432 V HA 0.133 4.256 4.120 0.005 0.000 0.307 432 V C 0.851 176.936 176.094 -0.015 0.000 1.069 432 V CA -0.145 62.154 62.300 -0.002 0.000 1.173 432 V CB 0.278 32.107 31.823 0.011 0.000 0.925 432 V HN 0.583 nan 8.190 nan 0.000 0.492 433 R N 2.614 123.110 120.500 -0.008 0.000 2.410 433 R HA 0.265 4.608 4.340 0.005 0.000 0.288 433 R C 1.235 177.526 176.300 -0.015 0.000 1.051 433 R CA -0.557 55.538 56.100 -0.009 0.000 1.021 433 R CB 1.044 31.344 30.300 -0.000 0.000 1.032 433 R HN 0.759 nan 8.270 nan 0.000 0.481 434 L N 3.338 124.552 121.223 -0.015 0.000 2.021 434 L HA -0.276 4.067 4.340 0.005 0.000 0.215 434 L C 2.019 178.865 176.870 -0.040 0.000 1.074 434 L CA 1.898 56.724 54.840 -0.025 0.000 0.760 434 L CB -0.080 41.987 42.059 0.013 0.000 0.889 434 L HN 0.553 nan 8.230 nan 0.000 0.433 435 K N -0.573 119.820 120.400 -0.012 0.000 2.097 435 K HA -0.216 4.107 4.320 0.005 0.000 0.206 435 K C 1.757 178.352 176.600 -0.007 0.000 1.049 435 K CA 1.723 58.005 56.287 -0.008 0.000 0.933 435 K CB -0.240 32.267 32.500 0.012 0.000 0.717 435 K HN 0.447 nan 8.250 nan 0.000 0.442 436 D N 0.160 120.561 120.400 0.001 0.000 2.084 436 D HA -0.113 4.530 4.640 0.005 0.000 0.194 436 D C 1.583 177.897 176.300 0.024 0.000 0.990 436 D CA 1.567 55.578 54.000 0.017 0.000 0.826 436 D CB 0.057 40.868 40.800 0.018 0.000 0.971 436 D HN 0.056 nan 8.370 nan 0.000 0.453 437 T N -0.389 114.162 114.554 -0.004 0.000 2.699 437 T HA -0.162 4.191 4.350 0.005 0.000 0.268 437 T C 2.082 176.797 174.700 0.024 0.000 1.036 437 T CA 1.409 63.508 62.100 -0.001 0.000 1.147 437 T CB -0.488 68.325 68.868 -0.092 0.000 0.862 437 T HN -0.015 nan 8.240 nan 0.000 0.446 438 V N 1.869 121.732 119.914 -0.084 0.000 2.237 438 V HA -0.157 3.965 4.120 0.005 0.000 0.245 438 V C 2.973 179.090 176.094 0.038 0.000 1.046 438 V CA 1.722 63.956 62.300 -0.110 0.000 1.007 438 V CB -1.429 30.254 31.823 -0.234 0.000 0.638 438 V HN 0.544 nan 8.190 nan 0.000 0.445 439 A N -0.094 122.751 122.820 0.042 0.000 1.917 439 A HA -0.264 4.059 4.320 0.005 0.000 0.219 439 A C 2.478 180.137 177.584 0.125 0.000 1.182 439 A CA 2.552 54.636 52.037 0.078 0.000 0.633 439 A CB -0.911 18.127 19.000 0.063 0.000 0.819 439 A HN 0.521 nan 8.150 nan 0.000 0.448 440 S N -0.922 114.859 115.700 0.135 0.000 2.359 440 S HA -0.158 4.315 4.470 0.005 0.000 0.223 440 S C 1.617 176.329 174.600 0.186 0.000 1.039 440 S CA 1.761 60.057 58.200 0.160 0.000 1.042 440 S CB -0.555 62.748 63.200 0.171 0.000 0.915 440 S HN 0.553 nan 8.310 nan 0.000 0.439 441 F N 1.587 121.584 119.950 0.079 0.000 2.325 441 F HA 0.057 4.589 4.527 0.007 0.000 0.299 441 F C 2.237 178.093 175.800 0.094 0.000 1.090 441 F CA 0.920 58.973 58.000 0.089 0.000 1.392 441 F CB -0.232 38.730 39.000 -0.062 0.000 1.053 441 F HN 0.089 nan 8.300 nan 0.000 0.521 442 K N 0.738 121.278 120.400 0.233 0.000 2.026 442 K HA -0.171 4.152 4.320 0.005 0.000 0.208 442 K C 2.240 178.939 176.600 0.166 0.000 1.048 442 K CA 1.416 57.800 56.287 0.162 0.000 0.929 442 K CB -0.352 32.218 32.500 0.117 0.000 0.713 442 K HN 0.138 nan 8.250 nan 0.000 0.439 443 A N 0.437 123.375 122.820 0.197 0.000 1.883 443 A HA -0.124 4.199 4.320 0.005 0.000 0.217 443 A C 2.276 180.036 177.584 0.294 0.000 1.186 443 A CA 1.877 54.068 52.037 0.256 0.000 0.624 443 A CB -0.784 18.447 19.000 0.386 0.000 0.822 443 A HN 0.177 nan 8.150 nan 0.000 0.444 444 V N -0.016 120.065 119.914 0.279 0.000 2.407 444 V HA -0.242 3.881 4.120 0.005 0.000 0.248 444 V C 2.525 178.705 176.094 0.144 0.000 1.055 444 V CA 1.845 64.284 62.300 0.231 0.000 1.049 444 V CB -0.773 31.099 31.823 0.081 0.000 0.662 444 V HN 0.550 nan 8.190 nan 0.000 0.455 445 L N -0.291 121.018 121.223 0.142 0.000 2.083 445 L HA -0.150 4.192 4.340 0.005 0.000 0.209 445 L C 2.365 179.284 176.870 0.083 0.000 1.083 445 L CA 1.490 56.394 54.840 0.106 0.000 0.752 445 L CB -0.518 41.610 42.059 0.114 0.000 0.899 445 L HN 0.368 nan 8.230 nan 0.000 0.433 446 E N -0.209 120.047 120.200 0.093 0.000 2.511 446 E HA -0.021 4.331 4.350 0.005 0.000 0.196 446 E C 1.373 177.997 176.600 0.040 0.000 1.066 446 E CA 0.513 56.951 56.400 0.063 0.000 0.871 446 E CB 0.065 29.803 29.700 0.063 0.000 0.863 446 E HN 0.582 nan 8.360 nan 0.000 0.520 447 G N 1.934 110.766 108.800 0.053 0.000 2.157 447 G HA2 -0.336 3.627 3.960 0.005 0.000 0.248 447 G HA3 -0.336 3.627 3.960 0.005 0.000 0.248 447 G C 0.850 175.742 174.900 -0.014 0.000 0.979 447 G CA 0.441 45.556 45.100 0.027 0.000 0.650 447 G HN 0.250 nan 8.290 nan 0.000 0.529 448 K N -0.881 119.486 120.400 -0.055 0.000 2.442 448 K HA 0.052 4.374 4.320 0.005 0.000 0.198 448 K C 0.480 176.731 176.600 -0.581 0.000 1.042 448 K CA 1.111 57.191 56.287 -0.346 0.000 0.958 448 K CB -0.014 32.188 32.500 -0.496 0.000 0.766 448 K HN 0.620 nan 8.250 nan 0.000 0.474 449 Y N -0.368 119.960 120.300 0.045 0.000 2.666 449 Y HA 0.133 4.683 4.550 0.001 0.000 0.264 449 Y C 0.286 176.246 175.900 0.101 0.000 1.054 449 Y CA -0.696 57.455 58.100 0.084 0.000 1.121 449 Y CB 0.492 39.050 38.460 0.162 0.000 1.190 449 Y HN -0.069 nan 8.280 nan 0.000 0.587 450 D N 0.380 120.850 120.400 0.116 0.000 2.137 450 D HA -0.136 4.507 4.640 0.005 0.000 0.202 450 D C 1.656 178.001 176.300 0.075 0.000 0.970 450 D CA 1.480 55.524 54.000 0.074 0.000 0.837 450 D CB -0.087 40.728 40.800 0.026 0.000 0.981 450 D HN 0.451 nan 8.370 nan 0.000 0.475 451 N N 1.005 119.739 118.700 0.057 0.000 2.309 451 N HA -0.117 4.626 4.740 0.005 0.000 0.182 451 N C 0.810 176.361 175.510 0.068 0.000 1.018 451 N CA 0.299 53.376 53.050 0.045 0.000 0.876 451 N CB -0.640 37.857 38.487 0.017 0.000 0.972 451 N HN 0.230 nan 8.380 nan 0.000 0.434 452 I N 1.577 122.214 120.570 0.111 0.000 2.710 452 I HA 0.041 4.214 4.170 0.005 0.000 0.286 452 I C -1.843 174.359 176.117 0.142 0.000 1.181 452 I CA -1.562 59.802 61.300 0.106 0.000 1.430 452 I CB 0.062 38.125 38.000 0.105 0.000 1.367 452 I HN -0.103 nan 8.210 nan 0.000 0.577 453 P HA -0.017 nan 4.420 nan 0.000 0.265 453 P C 0.226 177.656 177.300 0.217 0.000 1.187 453 P CA 0.181 63.350 63.100 0.114 0.000 0.766 453 P CB 0.527 32.273 31.700 0.078 0.000 0.820 454 E N 0.872 121.203 120.200 0.218 0.000 2.077 454 E HA -0.245 4.108 4.350 0.005 0.000 0.193 454 E C 1.658 178.460 176.600 0.337 0.000 0.989 454 E CA 0.879 57.448 56.400 0.282 0.000 0.800 454 E CB -0.310 29.465 29.700 0.125 0.000 0.746 454 E HN 0.614 nan 8.360 nan 0.000 0.452 455 H N -0.212 118.939 119.070 0.136 0.000 2.543 455 H HA 0.004 4.562 4.556 0.004 0.000 0.286 455 H C 1.730 177.128 175.328 0.117 0.000 1.037 455 H CA 0.884 57.003 56.048 0.119 0.000 1.250 455 H CB 0.279 30.068 29.762 0.044 0.000 1.373 455 H HN 0.158 nan 8.280 nan 0.000 0.580 456 A N -0.081 122.764 122.820 0.042 0.000 2.119 456 A HA -0.080 4.243 4.320 0.005 0.000 0.217 456 A C 1.713 179.093 177.584 -0.340 0.000 1.153 456 A CA 0.578 52.507 52.037 -0.180 0.000 0.692 456 A CB -0.666 18.157 19.000 -0.296 0.000 0.799 456 A HN 0.316 nan 8.150 nan 0.000 0.458 457 F N -2.460 117.396 119.950 -0.156 0.000 2.569 457 F HA 0.163 4.689 4.527 -0.003 0.000 0.295 457 F C 0.831 176.592 175.800 -0.065 0.000 1.115 457 F CA -0.157 57.704 58.000 -0.231 0.000 1.450 457 F CB -0.226 38.613 39.000 -0.269 0.000 1.107 457 F HN 0.264 nan 8.300 nan 0.000 0.563 458 Y N 1.524 121.811 120.300 -0.021 0.000 2.544 458 Y HA 0.182 4.736 4.550 0.006 0.000 0.330 458 Y C 0.775 176.638 175.900 -0.063 0.000 1.136 458 Y CA -1.068 56.987 58.100 -0.076 0.000 1.417 458 Y CB 0.157 38.435 38.460 -0.303 0.000 1.229 458 Y HN 0.161 nan 8.280 nan 0.000 0.532 459 M N 5.040 124.284 119.600 -0.593 0.000 2.852 459 M HA -0.169 4.314 4.480 0.005 0.000 0.176 459 M C -1.518 174.695 176.300 -0.145 0.000 1.160 459 M CA 1.235 56.273 55.300 -0.437 0.000 0.702 459 M CB -1.041 31.204 32.600 -0.591 0.000 1.193 459 M HN 0.444 nan 8.290 nan 0.000 0.775 460 V N -1.395 118.497 119.914 -0.037 0.000 3.105 460 V HA 1.099 5.222 4.120 0.005 0.000 0.311 460 V C 0.789 176.926 176.094 0.072 0.000 1.282 460 V CA -0.148 62.157 62.300 0.009 0.000 1.065 460 V CB 1.239 33.049 31.823 -0.021 0.000 1.136 460 V HN 0.462 nan 8.190 nan 0.000 0.469 461 G N -0.439 108.402 108.800 0.068 0.000 3.199 461 G HA2 0.590 4.553 3.960 0.005 0.000 0.184 461 G HA3 0.590 4.553 3.960 0.005 0.000 0.184 461 G C 0.480 175.467 174.900 0.146 0.000 1.974 461 G CA 0.080 45.229 45.100 0.082 0.000 0.885 461 G HN 1.344 nan 8.290 nan 0.000 0.575 462 G N -1.051 107.816 108.800 0.112 0.000 2.583 462 G HA2 0.391 4.354 3.960 0.005 0.000 0.280 462 G HA3 0.391 4.354 3.960 0.005 0.000 0.280 462 G C 0.810 175.800 174.900 0.150 0.000 1.376 462 G CA -0.148 45.044 45.100 0.153 0.000 1.043 462 G HN 0.315 nan 8.290 nan 0.000 0.538 463 I N -0.148 120.496 120.570 0.123 0.000 2.194 463 I HA -0.149 4.024 4.170 0.005 0.000 0.246 463 I C 2.592 178.600 176.117 -0.183 0.000 1.093 463 I CA 1.744 62.989 61.300 -0.090 0.000 1.355 463 I CB -0.290 37.642 38.000 -0.113 0.000 1.046 463 I HN 0.696 nan 8.210 nan 0.000 0.413 464 E N -0.074 120.082 120.200 -0.073 0.000 2.153 464 E HA -0.249 4.104 4.350 0.005 0.000 0.194 464 E C 1.656 178.200 176.600 -0.093 0.000 0.988 464 E CA 1.489 57.850 56.400 -0.065 0.000 0.811 464 E CB -0.214 29.474 29.700 -0.021 0.000 0.746 464 E HN 0.567 nan 8.360 nan 0.000 0.466 465 D N -0.013 120.335 120.400 -0.087 0.000 2.219 465 D HA -0.118 4.525 4.640 0.005 0.000 0.205 465 D C 1.876 178.068 176.300 -0.180 0.000 0.970 465 D CA 0.582 54.525 54.000 -0.095 0.000 0.851 465 D CB 0.001 40.772 40.800 -0.050 0.000 0.943 465 D HN 0.006 nan 8.370 nan 0.000 0.488 466 V N 0.170 119.900 119.914 -0.307 0.000 2.270 466 V HA -0.201 3.922 4.120 0.005 0.000 0.245 466 V C 2.488 178.346 176.094 -0.394 0.000 1.043 466 V CA 1.084 63.069 62.300 -0.525 0.000 1.014 466 V CB -0.573 30.654 31.823 -0.993 0.000 0.645 466 V HN 0.101 nan 8.190 nan 0.000 0.447 467 V N 0.408 120.149 119.914 -0.289 0.000 2.343 467 V HA -0.249 3.874 4.120 0.005 0.000 0.247 467 V C 2.770 178.798 176.094 -0.109 0.000 1.051 467 V CA 1.956 64.165 62.300 -0.152 0.000 1.036 467 V CB -1.222 30.566 31.823 -0.059 0.000 0.654 467 V HN 0.550 nan 8.190 nan 0.000 0.451 468 A N -0.280 122.480 122.820 -0.100 0.000 1.917 468 A HA -0.247 4.076 4.320 0.005 0.000 0.219 468 A C 2.269 179.813 177.584 -0.067 0.000 1.182 468 A CA 1.935 53.931 52.037 -0.068 0.000 0.633 468 A CB -0.391 18.575 19.000 -0.057 0.000 0.819 468 A HN 0.442 nan 8.150 nan 0.000 0.448 469 K N -0.557 119.786 120.400 -0.095 0.000 2.243 469 K HA 0.170 4.492 4.320 0.005 0.000 0.201 469 K C 2.203 178.758 176.600 -0.075 0.000 1.051 469 K CA 0.983 57.223 56.287 -0.078 0.000 0.970 469 K CB -0.558 31.886 32.500 -0.092 0.000 0.755 469 K HN 0.448 nan 8.250 nan 0.000 0.465 470 A N 1.730 124.483 122.820 -0.113 0.000 1.902 470 A HA -0.190 4.133 4.320 0.005 0.000 0.217 470 A C 2.020 179.577 177.584 -0.045 0.000 1.181 470 A CA 1.568 53.551 52.037 -0.091 0.000 0.623 470 A CB -0.330 18.596 19.000 -0.123 0.000 0.818 470 A HN 0.344 nan 8.150 nan 0.000 0.443 471 E N -0.479 119.696 120.200 -0.042 0.000 2.107 471 E HA -0.138 4.215 4.350 0.005 0.000 0.191 471 E C 2.012 178.603 176.600 -0.015 0.000 0.982 471 E CA 1.158 57.544 56.400 -0.024 0.000 0.809 471 E CB -0.108 29.578 29.700 -0.023 0.000 0.756 471 E HN 0.556 nan 8.360 nan 0.000 0.459 472 K N 0.435 120.826 120.400 -0.016 0.000 2.152 472 K HA -0.116 4.207 4.320 0.005 0.000 0.206 472 K C 1.650 178.254 176.600 0.005 0.000 1.048 472 K CA 0.897 57.181 56.287 -0.004 0.000 0.933 472 K CB 0.031 32.530 32.500 -0.003 0.000 0.721 472 K HN 0.128 nan 8.250 nan 0.000 0.447 473 L N -0.626 120.601 121.223 0.005 0.000 2.591 473 L HA 0.063 4.406 4.340 0.005 0.000 0.228 473 L C 2.015 178.889 176.870 0.007 0.000 1.133 473 L CA -0.028 54.822 54.840 0.016 0.000 0.880 473 L CB -0.175 41.903 42.059 0.031 0.000 1.033 473 L HN 0.163 nan 8.230 nan 0.000 0.450 474 A N 0.535 123.355 122.820 -0.000 0.000 1.835 474 A HA 0.421 4.743 4.320 0.005 0.000 0.213 474 A C 1.213 178.797 177.584 -0.000 0.000 1.210 474 A CA 1.197 53.233 52.037 -0.001 0.000 0.605 474 A CB -0.165 18.832 19.000 -0.005 0.000 0.860 474 A HN 0.326 nan 8.150 nan 0.000 0.447 475 A N 0.000 122.820 122.820 -0.001 0.000 2.254 475 A HA 0.000 4.323 4.320 0.005 0.000 0.244 475 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 475 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486