REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3fks_1_O DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.706 174.700 0.010 0.000 1.109 7 T CA 0.000 62.104 62.100 0.007 0.000 1.349 7 T CB 0.000 68.872 68.868 0.007 0.000 0.612 8 P HA 0.422 nan 4.420 nan 0.000 0.269 8 P C -0.746 176.577 177.300 0.038 0.000 1.209 8 P CA -0.538 62.577 63.100 0.024 0.000 0.776 8 P CB 0.574 32.289 31.700 0.026 0.000 0.876 9 I N 2.062 122.664 120.570 0.054 0.000 2.359 9 I HA 0.282 4.452 4.170 0.000 0.000 0.294 9 I C 0.897 177.131 176.117 0.195 0.000 0.987 9 I CA -0.361 60.999 61.300 0.100 0.000 1.225 9 I CB 1.134 39.154 38.000 0.034 0.000 1.366 9 I HN 0.480 nan 8.210 nan 0.000 0.466 10 T N 1.690 116.378 114.554 0.223 0.000 2.887 10 T HA 0.897 5.247 4.350 0.000 0.000 0.288 10 T C -0.173 174.527 174.700 -0.000 0.000 1.021 10 T CA -0.817 61.365 62.100 0.137 0.000 1.000 10 T CB 2.417 71.310 68.868 0.040 0.000 1.034 10 T HN 0.867 nan 8.240 nan 0.000 0.467 11 G N 0.937 109.523 108.800 -0.357 0.000 2.672 11 G HA2 0.669 4.629 3.960 0.000 0.000 0.292 11 G HA3 0.669 4.629 3.960 0.000 0.000 0.292 11 G C -1.691 172.945 174.900 -0.439 0.000 1.375 11 G CA -1.164 43.409 45.100 -0.878 0.000 0.890 11 G HN 0.785 nan 8.290 nan 0.000 0.476 12 K N 0.112 120.306 120.400 -0.343 0.000 2.270 12 K HA 0.538 4.858 4.320 0.000 0.000 0.255 12 K C -0.594 175.929 176.600 -0.128 0.000 0.936 12 K CA -0.762 55.429 56.287 -0.160 0.000 0.809 12 K CB 2.920 35.378 32.500 -0.070 0.000 1.131 12 K HN 0.223 nan 8.250 nan 0.000 0.427 13 V N 3.005 122.863 119.914 -0.093 0.000 2.479 13 V HA -0.025 4.095 4.120 0.000 0.000 0.281 13 V C 1.290 177.357 176.094 -0.046 0.000 1.031 13 V CA 0.457 62.718 62.300 -0.065 0.000 1.038 13 V CB 0.598 32.391 31.823 -0.050 0.000 0.981 13 V HN 1.058 nan 8.190 nan 0.000 0.478 14 T N 1.238 115.771 114.554 -0.035 0.000 2.990 14 T HA 0.564 4.914 4.350 0.000 0.000 0.250 14 T C 0.389 175.072 174.700 -0.029 0.000 1.041 14 T CA 0.467 62.546 62.100 -0.035 0.000 1.010 14 T CB 0.535 69.380 68.868 -0.039 0.000 1.003 14 T HN 0.963 nan 8.240 nan 0.000 0.499 15 A N 0.450 123.257 122.820 -0.022 0.000 2.540 15 A HA 0.680 5.000 4.320 0.000 0.000 0.297 15 A C -1.550 176.024 177.584 -0.015 0.000 1.056 15 A CA -0.663 51.364 52.037 -0.018 0.000 0.700 15 A CB 1.861 20.853 19.000 -0.013 0.000 1.280 15 A HN 0.279 nan 8.150 nan 0.000 0.398 16 V N 2.930 122.835 119.914 -0.014 0.000 2.524 16 V HA 0.537 4.657 4.120 0.000 0.000 0.297 16 V C -0.937 175.150 176.094 -0.011 0.000 1.035 16 V CA -0.089 62.204 62.300 -0.012 0.000 0.867 16 V CB 1.376 33.191 31.823 -0.013 0.000 1.004 16 V HN 0.715 nan 8.190 nan 0.000 0.426 17 I N 4.352 124.916 120.570 -0.010 0.000 2.517 17 I HA 0.636 4.806 4.170 0.000 0.000 0.280 17 I C 0.999 177.109 176.117 -0.010 0.000 1.061 17 I CA 0.020 61.314 61.300 -0.010 0.000 1.091 17 I CB 1.425 39.419 38.000 -0.010 0.000 1.205 17 I HN 0.793 nan 8.210 nan 0.000 0.459 18 G N 5.112 113.906 108.800 -0.011 0.000 2.846 18 G HA2 -0.364 3.597 3.960 0.000 0.000 0.317 18 G HA3 -0.364 3.597 3.960 0.000 0.000 0.317 18 G C 0.658 175.552 174.900 -0.010 0.000 1.210 18 G CA 0.642 45.735 45.100 -0.012 0.000 0.972 18 G HN 1.004 nan 8.290 nan 0.000 0.567 19 A N -0.310 122.503 122.820 -0.010 0.000 2.631 19 A HA 0.741 5.061 4.320 0.000 0.000 0.294 19 A C 0.256 177.837 177.584 -0.005 0.000 1.156 19 A CA 0.142 52.174 52.037 -0.007 0.000 0.963 19 A CB 0.173 19.167 19.000 -0.009 0.000 1.202 19 A HN 0.723 nan 8.150 nan 0.000 0.523 20 I N 1.104 121.671 120.570 -0.005 0.000 2.468 20 I HA 0.308 4.478 4.170 0.000 0.000 0.284 20 I C -1.134 174.981 176.117 -0.003 0.000 1.038 20 I CA -0.686 60.612 61.300 -0.003 0.000 1.083 20 I CB 2.110 40.107 38.000 -0.004 0.000 1.223 20 I HN -0.118 nan 8.210 nan 0.000 0.443 21 V N 4.832 124.746 119.914 -0.001 0.000 2.483 21 V HA 0.340 4.461 4.120 0.000 0.000 0.295 21 V C -0.542 175.550 176.094 -0.002 0.000 1.035 21 V CA -0.645 61.652 62.300 -0.004 0.000 0.896 21 V CB 1.986 33.805 31.823 -0.006 0.000 0.986 21 V HN 0.525 nan 8.190 nan 0.000 0.447 22 D N 3.542 123.939 120.400 -0.005 0.000 2.443 22 D HA 0.378 5.018 4.640 0.000 0.000 0.221 22 D C -0.321 175.975 176.300 -0.006 0.000 1.097 22 D CA 0.034 54.034 54.000 0.001 0.000 0.865 22 D CB 1.654 42.457 40.800 0.004 0.000 1.034 22 D HN 0.215 nan 8.370 nan 0.000 0.511 23 V N 2.606 122.514 119.914 -0.010 0.000 2.481 23 V HA 0.228 4.348 4.120 0.000 0.000 0.286 23 V C 0.043 176.106 176.094 -0.051 0.000 1.042 23 V CA -0.610 61.646 62.300 -0.073 0.000 0.928 23 V CB 1.466 33.218 31.823 -0.117 0.000 0.986 23 V HN 0.529 nan 8.190 nan 0.000 0.462 24 H N 3.538 122.465 119.070 -0.238 0.000 2.573 24 H HA 0.692 5.248 4.556 0.000 0.000 0.351 24 H C -1.552 173.561 175.328 -0.359 0.000 1.163 24 H CA -0.708 55.246 56.048 -0.157 0.000 1.205 24 H CB 1.411 31.119 29.762 -0.090 0.000 1.605 24 H HN 0.432 nan 8.280 nan 0.000 0.525 25 F N 2.124 121.552 119.950 -0.870 0.000 2.563 25 F HA 0.243 4.770 4.527 0.000 0.000 0.316 25 F C 1.188 176.596 175.800 -0.653 0.000 1.076 25 F CA -0.699 56.966 58.000 -0.558 0.000 0.921 25 F CB 2.052 40.884 39.000 -0.281 0.000 1.209 25 F HN 0.605 nan 8.300 nan 0.000 0.462 26 E N 1.111 121.258 120.200 -0.088 0.000 1.999 26 E HA -0.087 4.263 4.350 0.000 0.000 0.194 26 E C 0.560 177.175 176.600 0.025 0.000 0.995 26 E CA 1.117 57.518 56.400 0.002 0.000 0.825 26 E CB -0.152 29.575 29.700 0.046 0.000 0.777 26 E HN 0.689 nan 8.360 nan 0.000 0.459 27 Q N -0.063 119.759 119.800 0.037 0.000 2.214 27 Q HA 0.160 4.501 4.340 0.000 0.000 0.168 27 Q C 1.453 177.460 176.000 0.011 0.000 1.047 27 Q CA -0.089 55.730 55.803 0.026 0.000 1.102 27 Q CB 0.207 28.959 28.738 0.022 0.000 1.458 27 Q HN 0.044 nan 8.270 nan 0.000 0.561 28 S N -0.491 115.211 115.700 0.003 0.000 2.522 28 S HA -0.051 4.419 4.470 0.000 0.000 0.227 28 S C -0.273 174.307 174.600 -0.034 0.000 0.986 28 S CA 0.423 58.620 58.200 -0.006 0.000 0.929 28 S CB 0.046 63.245 63.200 -0.003 0.000 0.769 28 S HN 0.307 nan 8.310 nan 0.000 0.529 29 E N 1.060 121.227 120.200 -0.054 0.000 2.217 29 E HA 0.457 4.807 4.350 0.000 0.000 0.279 29 E C -1.221 175.236 176.600 -0.238 0.000 1.068 29 E CA 0.116 56.450 56.400 -0.109 0.000 0.882 29 E CB 0.858 30.502 29.700 -0.093 0.000 1.039 29 E HN 0.178 nan 8.360 nan 0.000 0.418 30 L N 5.003 126.080 121.223 -0.243 0.000 2.401 30 L HA 0.471 4.811 4.340 0.000 0.000 0.266 30 L C -2.293 174.401 176.870 -0.294 0.000 0.991 30 L CA -2.070 52.528 54.840 -0.404 0.000 0.818 30 L CB 1.626 43.589 42.059 -0.161 0.000 1.321 30 L HN 0.401 nan 8.230 nan 0.000 0.413 31 P HA 0.309 nan 4.420 nan 0.000 0.268 31 P C -0.738 176.565 177.300 0.006 0.000 1.204 31 P CA -0.286 62.691 63.100 -0.206 0.000 0.768 31 P CB 0.709 32.279 31.700 -0.216 0.000 0.842 32 A N 3.331 126.172 122.820 0.035 0.000 2.327 32 A HA 0.325 4.645 4.320 0.000 0.000 0.255 32 A C 0.261 177.905 177.584 0.100 0.000 1.099 32 A CA -0.387 51.706 52.037 0.093 0.000 0.801 32 A CB -0.286 18.718 19.000 0.007 0.000 1.062 32 A HN 0.476 nan 8.150 nan 0.000 0.496 33 I N -0.075 120.549 120.570 0.090 0.000 2.892 33 I HA 0.047 4.217 4.170 0.000 0.000 0.287 33 I C 1.242 177.342 176.117 -0.028 0.000 1.205 33 I CA 0.973 62.299 61.300 0.043 0.000 1.409 33 I CB 0.014 38.023 38.000 0.015 0.000 1.367 33 I HN 0.685 nan 8.210 nan 0.000 0.597 34 L N 0.768 121.952 121.223 -0.065 0.000 4.982 34 L HA -0.323 4.018 4.340 0.000 0.000 0.402 34 L C 0.281 177.146 176.870 -0.007 0.000 0.863 34 L CA 0.316 55.079 54.840 -0.128 0.000 1.876 34 L CB -1.539 40.363 42.059 -0.262 0.000 1.554 34 L HN 0.729 nan 8.230 nan 0.000 0.603 35 N N 0.728 119.432 118.700 0.007 0.000 2.381 35 N HA 0.473 5.213 4.740 0.000 0.000 0.241 35 N C 0.252 175.786 175.510 0.039 0.000 1.279 35 N CA 0.842 53.907 53.050 0.024 0.000 0.896 35 N CB 0.478 38.969 38.487 0.008 0.000 1.118 35 N HN 0.337 nan 8.380 nan 0.000 0.438 36 A N 0.928 123.774 122.820 0.043 0.000 2.295 36 A HA 0.763 5.083 4.320 0.000 0.000 0.318 36 A C -0.662 176.952 177.584 0.050 0.000 1.134 36 A CA -0.539 51.527 52.037 0.049 0.000 0.827 36 A CB 0.463 19.491 19.000 0.047 0.000 1.136 36 A HN 0.558 nan 8.150 nan 0.000 0.493 37 L N 0.649 121.905 121.223 0.054 0.000 2.388 37 L HA 0.547 4.887 4.340 0.000 0.000 0.264 37 L C -0.429 176.468 176.870 0.045 0.000 0.998 37 L CA -0.463 54.416 54.840 0.064 0.000 0.817 37 L CB 2.377 44.487 42.059 0.084 0.000 1.338 37 L HN 0.809 nan 8.230 nan 0.000 0.414 38 E N 2.459 122.683 120.200 0.041 0.000 2.256 38 E HA 0.659 5.009 4.350 0.000 0.000 0.267 38 E C -1.321 175.288 176.600 0.015 0.000 0.892 38 E CA -0.707 55.709 56.400 0.025 0.000 0.775 38 E CB 3.357 33.071 29.700 0.023 0.000 1.207 38 E HN 0.369 nan 8.360 nan 0.000 0.420 39 I N 2.147 122.722 120.570 0.007 0.000 2.499 39 I HA 0.222 4.392 4.170 0.000 0.000 0.288 39 I C -0.512 175.604 176.117 -0.002 0.000 1.048 39 I CA -0.850 60.449 61.300 -0.002 0.000 1.062 39 I CB 1.825 39.821 38.000 -0.007 0.000 1.238 39 I HN 0.232 nan 8.210 nan 0.000 0.426 40 K N 4.017 124.415 120.400 -0.004 0.000 2.382 40 K HA 0.219 4.539 4.320 0.000 0.000 0.286 40 K C -0.088 176.509 176.600 -0.005 0.000 1.062 40 K CA 0.240 56.525 56.287 -0.003 0.000 1.000 40 K CB 0.667 33.164 32.500 -0.004 0.000 0.954 40 K HN 0.487 nan 8.250 nan 0.000 0.470 41 T N 2.632 117.183 114.554 -0.004 0.000 2.893 41 T HA 0.302 4.652 4.350 0.000 0.000 0.291 41 T C -1.673 173.024 174.700 -0.004 0.000 1.028 41 T CA -2.404 59.694 62.100 -0.005 0.000 0.995 41 T CB 1.207 70.073 68.868 -0.004 0.000 1.051 41 T HN 0.280 nan 8.240 nan 0.000 0.470 42 P HA -0.189 nan 4.420 nan 0.000 0.216 42 P C 1.170 178.467 177.300 -0.005 0.000 1.154 42 P CA 1.423 64.520 63.100 -0.005 0.000 0.865 42 P CB 0.276 31.973 31.700 -0.005 0.000 0.789 43 Q N -0.864 118.933 119.800 -0.005 0.000 2.016 43 Q HA 0.024 4.364 4.340 0.000 0.000 0.200 43 Q C 1.939 177.936 176.000 -0.005 0.000 0.978 43 Q CA 1.759 57.559 55.803 -0.005 0.000 0.833 43 Q CB -0.308 28.427 28.738 -0.005 0.000 0.895 43 Q HN 0.371 nan 8.270 nan 0.000 0.427 44 G N 0.092 108.890 108.800 -0.004 0.000 3.504 44 G HA2 0.202 4.162 3.960 0.000 0.000 0.157 44 G HA3 0.202 4.162 3.960 0.000 0.000 0.157 44 G C -1.286 173.614 174.900 -0.001 0.000 1.245 44 G CA -0.272 44.827 45.100 -0.003 0.000 1.410 44 G HN 0.160 nan 8.290 nan 0.000 0.731 45 K N -0.312 120.088 120.400 0.000 0.000 2.543 45 K HA 0.658 4.978 4.320 0.000 0.000 0.255 45 K C -1.940 174.663 176.600 0.004 0.000 0.934 45 K CA -0.837 55.452 56.287 0.002 0.000 0.810 45 K CB 2.575 35.077 32.500 0.004 0.000 1.315 45 K HN 0.443 nan 8.250 nan 0.000 0.433 46 L N 3.494 124.719 121.223 0.004 0.000 2.278 46 L HA 0.262 4.603 4.340 0.000 0.000 0.287 46 L C -0.708 176.169 176.870 0.011 0.000 1.072 46 L CA -0.288 54.556 54.840 0.006 0.000 0.819 46 L CB 1.297 43.358 42.059 0.003 0.000 1.176 46 L HN 0.542 nan 8.230 nan 0.000 0.435 47 V N 4.557 124.480 119.914 0.015 0.000 2.465 47 V HA 0.510 4.630 4.120 0.000 0.000 0.279 47 V C 0.203 176.312 176.094 0.026 0.000 1.045 47 V CA -0.689 61.624 62.300 0.022 0.000 0.938 47 V CB 0.762 32.599 31.823 0.023 0.000 0.986 47 V HN 0.667 nan 8.190 nan 0.000 0.467 48 L N 3.148 124.390 121.223 0.032 0.000 2.271 48 L HA 0.783 5.123 4.340 0.000 0.000 0.265 48 L C -0.135 176.762 176.870 0.046 0.000 1.013 48 L CA -0.632 54.229 54.840 0.035 0.000 0.820 48 L CB 2.114 44.193 42.059 0.033 0.000 1.352 48 L HN 0.849 nan 8.230 nan 0.000 0.443 49 E N 0.204 120.432 120.200 0.046 0.000 2.287 49 E HA 0.325 4.675 4.350 0.000 0.000 0.274 49 E C -1.646 174.976 176.600 0.036 0.000 0.896 49 E CA -0.635 55.797 56.400 0.052 0.000 0.788 49 E CB 2.257 32.004 29.700 0.079 0.000 1.244 49 E HN 0.285 nan 8.360 nan 0.000 0.408 50 V N 3.803 123.734 119.914 0.028 0.000 2.540 50 V HA 0.141 4.261 4.120 0.000 0.000 0.297 50 V C 0.978 177.080 176.094 0.014 0.000 1.024 50 V CA 1.173 63.482 62.300 0.015 0.000 1.105 50 V CB 0.734 32.560 31.823 0.005 0.000 0.938 50 V HN 0.854 nan 8.190 nan 0.000 0.482 51 A N 4.350 127.181 122.820 0.018 0.000 2.167 51 A HA 0.353 4.673 4.320 0.000 0.000 0.208 51 A C 0.591 178.199 177.584 0.040 0.000 1.198 51 A CA 0.427 52.475 52.037 0.018 0.000 0.863 51 A CB 0.288 19.297 19.000 0.015 0.000 0.904 51 A HN 0.946 nan 8.150 nan 0.000 0.484 52 Q N -1.299 118.538 119.800 0.062 0.000 2.666 52 Q HA 0.266 4.606 4.340 0.000 0.000 0.276 52 Q C -1.807 174.271 176.000 0.130 0.000 0.952 52 Q CA -0.766 55.104 55.803 0.112 0.000 0.850 52 Q CB 0.411 29.189 28.738 0.067 0.000 1.512 52 Q HN 0.412 nan 8.270 nan 0.000 0.395 53 H N 2.328 121.404 119.070 0.009 0.000 2.690 53 H HA 0.249 4.805 4.556 0.000 0.000 0.289 53 H C 0.694 176.037 175.328 0.024 0.000 1.089 53 H CA -0.231 55.828 56.048 0.018 0.000 1.299 53 H CB 1.124 30.890 29.762 0.006 0.000 1.405 53 H HN 0.543 nan 8.280 nan 0.000 0.463 54 L N 2.703 123.979 121.223 0.088 0.000 2.083 54 L HA -0.021 4.319 4.340 0.000 0.000 0.209 54 L C 1.234 178.150 176.870 0.077 0.000 1.083 54 L CA 1.090 55.971 54.840 0.068 0.000 0.752 54 L CB -0.110 41.977 42.059 0.046 0.000 0.899 54 L HN 0.825 nan 8.230 nan 0.000 0.433 55 G N -0.893 107.963 108.800 0.095 0.000 2.406 55 G HA2 -0.043 3.917 3.960 0.000 0.000 0.680 55 G HA3 -0.043 3.917 3.960 0.000 0.000 0.680 55 G C -0.409 174.547 174.900 0.094 0.000 1.338 55 G CA -0.595 44.559 45.100 0.090 0.000 0.941 55 G HN 0.222 nan 8.290 nan 0.000 0.633 56 E N 0.184 120.438 120.200 0.091 0.000 2.230 56 E HA -0.238 4.112 4.350 0.000 0.000 0.206 56 E C 0.694 177.392 176.600 0.164 0.000 1.309 56 E CA 0.628 57.091 56.400 0.105 0.000 0.697 56 E CB -0.907 28.843 29.700 0.082 0.000 1.146 56 E HN 1.073 nan 8.360 nan 0.000 0.363 57 N N -1.503 117.279 118.700 0.138 0.000 2.708 57 N HA -0.160 4.580 4.740 0.000 0.000 0.251 57 N C -0.763 174.834 175.510 0.145 0.000 1.123 57 N CA 2.042 55.160 53.050 0.114 0.000 0.739 57 N CB -1.074 37.467 38.487 0.089 0.000 1.113 57 N HN 0.402 nan 8.380 nan 0.000 0.561 58 T N -0.681 113.976 114.554 0.170 0.000 2.885 58 T HA 0.748 5.098 4.350 0.000 0.000 0.285 58 T C 0.324 175.053 174.700 0.048 0.000 1.019 58 T CA -0.586 61.611 62.100 0.162 0.000 1.010 58 T CB 2.671 71.637 68.868 0.164 0.000 1.022 58 T HN 0.130 nan 8.240 nan 0.000 0.466 59 V N 0.360 120.293 119.914 0.031 0.000 2.962 59 V HA 0.795 4.916 4.120 0.000 0.000 0.313 59 V C -0.690 175.397 176.094 -0.011 0.000 1.099 59 V CA -1.409 60.849 62.300 -0.070 0.000 0.971 59 V CB 2.031 33.753 31.823 -0.167 0.000 1.028 59 V HN 0.869 nan 8.190 nan 0.000 0.430 60 R N 1.629 122.117 120.500 -0.019 0.000 2.514 60 R HA 0.812 5.152 4.340 0.000 0.000 0.301 60 R C -0.274 176.030 176.300 0.006 0.000 0.962 60 R CA 0.285 56.386 56.100 0.003 0.000 0.882 60 R CB 1.841 32.147 30.300 0.009 0.000 1.143 60 R HN 1.173 nan 8.270 nan 0.000 0.452 61 T N 0.792 115.353 114.554 0.011 0.000 2.907 61 T HA 0.575 4.925 4.350 0.000 0.000 0.290 61 T C -0.114 174.596 174.700 0.016 0.000 1.066 61 T CA -0.854 61.256 62.100 0.017 0.000 1.012 61 T CB 1.325 70.209 68.868 0.026 0.000 1.184 61 T HN 0.439 nan 8.240 nan 0.000 0.522 62 I N 1.232 121.816 120.570 0.022 0.000 2.439 62 I HA 0.561 4.731 4.170 0.000 0.000 0.283 62 I C 0.474 176.606 176.117 0.024 0.000 1.023 62 I CA -1.194 60.118 61.300 0.020 0.000 1.100 62 I CB 1.467 39.481 38.000 0.024 0.000 1.238 62 I HN 0.972 nan 8.210 nan 0.000 0.445 63 A N 5.591 128.421 122.820 0.016 0.000 2.386 63 A HA 0.465 4.786 4.320 0.000 0.000 0.248 63 A C 0.444 178.039 177.584 0.019 0.000 1.082 63 A CA -0.086 51.961 52.037 0.016 0.000 0.789 63 A CB 0.432 19.437 19.000 0.009 0.000 1.025 63 A HN 0.767 nan 8.150 nan 0.000 0.490 64 M N 0.820 120.432 119.600 0.021 0.000 2.404 64 M HA 0.274 4.754 4.480 0.000 0.000 0.271 64 M C -0.697 175.612 176.300 0.016 0.000 1.128 64 M CA 0.402 55.715 55.300 0.021 0.000 0.982 64 M CB -0.061 32.555 32.600 0.026 0.000 1.445 64 M HN 0.692 nan 8.290 nan 0.000 0.495 65 D N -1.703 118.703 120.400 0.011 0.000 2.643 65 D HA 0.425 5.066 4.640 0.000 0.000 0.283 65 D C -0.378 175.924 176.300 0.004 0.000 1.242 65 D CA -0.356 53.648 54.000 0.007 0.000 0.863 65 D CB 1.344 42.148 40.800 0.006 0.000 1.382 65 D HN 0.036 nan 8.370 nan 0.000 0.444 66 G N -0.243 108.558 108.800 0.001 0.000 2.254 66 G HA2 0.212 4.172 3.960 0.000 0.000 0.253 66 G HA3 0.212 4.172 3.960 0.000 0.000 0.253 66 G C 1.018 175.917 174.900 -0.002 0.000 1.246 66 G CA 0.443 45.542 45.100 -0.001 0.000 0.946 66 G HN 0.395 nan 8.290 nan 0.000 0.474 67 T N -0.179 114.372 114.554 -0.004 0.000 3.194 67 T HA 0.030 4.381 4.350 0.000 0.000 0.251 67 T C 0.928 175.624 174.700 -0.006 0.000 1.132 67 T CA 0.273 62.370 62.100 -0.005 0.000 1.028 67 T CB -0.337 68.527 68.868 -0.006 0.000 0.976 67 T HN 0.735 nan 8.240 nan 0.000 0.535 68 E N 1.723 121.920 120.200 -0.006 0.000 2.351 68 E HA 0.339 4.689 4.350 0.000 0.000 0.241 68 E C 0.620 177.216 176.600 -0.007 0.000 1.243 68 E CA -0.020 56.376 56.400 -0.006 0.000 0.963 68 E CB -1.159 28.538 29.700 -0.006 0.000 1.042 68 E HN 0.495 nan 8.360 nan 0.000 0.468 69 G N 3.401 112.196 108.800 -0.008 0.000 3.002 69 G HA2 -0.076 3.884 3.960 0.000 0.000 0.224 69 G HA3 -0.076 3.884 3.960 0.000 0.000 0.224 69 G C -0.650 174.244 174.900 -0.010 0.000 1.013 69 G CA -0.732 44.363 45.100 -0.008 0.000 1.200 69 G HN 0.446 nan 8.290 nan 0.000 0.589 70 L N 0.751 121.968 121.223 -0.011 0.000 2.464 70 L HA 0.656 4.996 4.340 0.000 0.000 0.266 70 L C 0.189 177.050 176.870 -0.015 0.000 0.965 70 L CA -1.309 53.523 54.840 -0.013 0.000 0.833 70 L CB 2.447 44.498 42.059 -0.014 0.000 1.296 70 L HN 0.166 nan 8.230 nan 0.000 0.405 71 V N 2.033 121.936 119.914 -0.017 0.000 2.612 71 V HA 0.431 4.551 4.120 0.000 0.000 0.301 71 V C 0.239 176.319 176.094 -0.023 0.000 1.046 71 V CA -0.879 61.410 62.300 -0.018 0.000 0.946 71 V CB 1.838 33.651 31.823 -0.017 0.000 1.003 71 V HN 0.652 nan 8.190 nan 0.000 0.459 72 R N 2.392 122.878 120.500 -0.024 0.000 2.399 72 R HA 0.449 4.789 4.340 0.000 0.000 0.324 72 R C 1.039 177.320 176.300 -0.031 0.000 1.030 72 R CA 0.883 56.965 56.100 -0.029 0.000 0.984 72 R CB 0.028 30.311 30.300 -0.029 0.000 0.961 72 R HN 1.169 nan 8.270 nan 0.000 0.433 73 G N 1.861 110.639 108.800 -0.037 0.000 2.273 73 G HA2 -0.166 3.794 3.960 0.000 0.000 0.162 73 G HA3 -0.166 3.794 3.960 0.000 0.000 0.162 73 G C -0.060 174.814 174.900 -0.042 0.000 1.006 73 G CA -0.730 44.347 45.100 -0.039 0.000 0.704 73 G HN 0.463 nan 8.290 nan 0.000 0.487 74 E N 0.626 120.800 120.200 -0.043 0.000 2.436 74 E HA 0.118 4.468 4.350 0.000 0.000 0.262 74 E C 0.370 176.936 176.600 -0.056 0.000 1.063 74 E CA 0.118 56.493 56.400 -0.041 0.000 0.944 74 E CB 0.779 30.458 29.700 -0.035 0.000 0.950 74 E HN 0.388 nan 8.360 nan 0.000 0.444 75 K N 1.628 122.002 120.400 -0.045 0.000 2.316 75 K HA 0.193 4.513 4.320 0.000 0.000 0.289 75 K C -1.044 175.527 176.600 -0.047 0.000 1.070 75 K CA -0.291 55.967 56.287 -0.049 0.000 0.928 75 K CB 0.487 32.970 32.500 -0.027 0.000 1.039 75 K HN 0.118 nan 8.250 nan 0.000 0.480 76 V N 6.728 126.596 119.914 -0.077 0.000 2.311 76 V HA 0.166 4.286 4.120 0.000 0.000 0.275 76 V C -0.234 175.870 176.094 0.017 0.000 1.022 76 V CA -0.960 61.311 62.300 -0.049 0.000 0.830 76 V CB 0.891 32.652 31.823 -0.103 0.000 1.012 76 V HN 0.669 nan 8.190 nan 0.000 0.452 77 L N 4.291 125.538 121.223 0.040 0.000 2.397 77 L HA 0.462 4.802 4.340 0.000 0.000 0.271 77 L C 0.035 176.966 176.870 0.101 0.000 1.148 77 L CA 0.466 55.347 54.840 0.068 0.000 0.825 77 L CB 1.019 43.102 42.059 0.040 0.000 1.117 77 L HN 0.666 nan 8.230 nan 0.000 0.456 78 D N 2.152 122.622 120.400 0.117 0.000 2.317 78 D HA 0.209 4.850 4.640 0.000 0.000 0.234 78 D C 0.653 176.979 176.300 0.044 0.000 1.112 78 D CA -0.116 53.938 54.000 0.090 0.000 0.840 78 D CB 1.472 42.310 40.800 0.062 0.000 1.078 78 D HN 0.710 nan 8.370 nan 0.000 0.486 79 T N 2.221 116.796 114.554 0.036 0.000 2.995 79 T HA 0.145 4.495 4.350 0.000 0.000 0.269 79 T C 1.486 176.194 174.700 0.012 0.000 1.091 79 T CA 0.752 62.866 62.100 0.023 0.000 1.128 79 T CB -0.207 68.677 68.868 0.025 0.000 0.891 79 T HN 0.736 nan 8.240 nan 0.000 0.492 80 G N 0.692 109.495 108.800 0.004 0.000 2.179 80 G HA2 0.013 3.973 3.960 0.000 0.000 0.260 80 G HA3 0.013 3.973 3.960 0.000 0.000 0.260 80 G C 0.295 175.194 174.900 -0.002 0.000 0.977 80 G CA -0.058 45.037 45.100 -0.009 0.000 0.641 80 G HN 1.011 nan 8.290 nan 0.000 0.533 81 G N -1.351 107.455 108.800 0.009 0.000 2.576 81 G HA2 0.736 4.696 3.960 0.000 0.000 0.290 81 G HA3 0.736 4.696 3.960 0.000 0.000 0.290 81 G C -3.229 171.692 174.900 0.034 0.000 1.442 81 G CA -0.216 44.895 45.100 0.018 0.000 0.792 81 G HN 0.195 nan 8.290 nan 0.000 0.491 82 P HA 0.303 nan 4.420 nan 0.000 0.274 82 P C 0.245 177.591 177.300 0.077 0.000 1.260 82 P CA -0.607 62.548 63.100 0.092 0.000 0.793 82 P CB 0.582 32.372 31.700 0.149 0.000 1.048 83 I N 0.460 121.086 120.570 0.092 0.000 2.664 83 I HA 0.010 4.180 4.170 0.000 0.000 0.284 83 I C 0.564 176.693 176.117 0.021 0.000 1.154 83 I CA 1.043 62.371 61.300 0.047 0.000 1.402 83 I CB -1.309 36.715 38.000 0.038 0.000 1.395 83 I HN 0.183 nan 8.210 nan 0.000 0.545 84 S N 5.945 121.651 115.700 0.010 0.000 2.565 84 S HA 0.705 5.175 4.470 0.000 0.000 0.290 84 S C -0.035 174.554 174.600 -0.017 0.000 1.150 84 S CA -0.686 57.511 58.200 -0.005 0.000 1.058 84 S CB 2.429 65.626 63.200 -0.004 0.000 1.032 84 S HN 0.509 nan 8.310 nan 0.000 0.510 85 V N -0.202 119.695 119.914 -0.030 0.000 2.914 85 V HA 0.679 4.799 4.120 0.000 0.000 0.314 85 V C -3.149 172.911 176.094 -0.057 0.000 1.084 85 V CA -3.227 59.052 62.300 -0.035 0.000 0.963 85 V CB 1.289 33.093 31.823 -0.031 0.000 1.025 85 V HN 0.527 nan 8.190 nan 0.000 0.432 86 P HA 0.246 nan 4.420 nan 0.000 0.264 86 P C -0.391 176.831 177.300 -0.129 0.000 1.229 86 P CA 0.292 63.341 63.100 -0.085 0.000 0.780 86 P CB 0.491 32.159 31.700 -0.055 0.000 0.808 87 V N 2.032 121.805 119.914 -0.235 0.000 2.495 87 V HA 1.021 5.141 4.120 0.000 0.000 0.298 87 V C 0.283 175.968 176.094 -0.682 0.000 1.031 87 V CA -0.224 61.824 62.300 -0.421 0.000 0.871 87 V CB 1.428 32.958 31.823 -0.489 0.000 0.988 87 V HN 0.774 nan 8.190 nan 0.000 0.432 88 G N 4.391 112.774 108.800 -0.695 0.000 2.351 88 G HA2 0.207 4.167 3.960 0.000 0.000 0.279 88 G HA3 0.207 4.167 3.960 0.000 0.000 0.279 88 G C -0.348 174.339 174.900 -0.355 0.000 1.297 88 G CA -0.409 44.315 45.100 -0.627 0.000 0.886 88 G HN 0.634 nan 8.290 nan 0.000 0.493 89 R N -0.029 120.355 120.500 -0.194 0.000 2.334 89 R HA 0.213 4.553 4.340 0.000 0.000 0.216 89 R C 0.852 177.172 176.300 0.033 0.000 0.905 89 R CA 0.141 56.214 56.100 -0.045 0.000 1.064 89 R CB 0.563 30.840 30.300 -0.038 0.000 1.046 89 R HN 0.377 nan 8.270 nan 0.000 0.508 90 E N 0.430 120.625 120.200 -0.007 0.000 2.474 90 E HA -0.021 4.330 4.350 0.000 0.000 0.195 90 E C 1.353 177.970 176.600 0.029 0.000 1.039 90 E CA 0.756 57.164 56.400 0.015 0.000 0.881 90 E CB 0.742 30.436 29.700 -0.011 0.000 0.970 90 E HN 0.315 nan 8.360 nan 0.000 0.486 91 T N -1.670 112.909 114.554 0.043 0.000 3.014 91 T HA 0.088 4.438 4.350 0.000 0.000 0.263 91 T C 1.333 176.090 174.700 0.095 0.000 1.078 91 T CA -0.061 62.076 62.100 0.061 0.000 1.135 91 T CB -0.133 68.776 68.868 0.068 0.000 0.895 91 T HN -0.052 nan 8.240 nan 0.000 0.480 92 L N 1.499 122.795 121.223 0.122 0.000 2.492 92 L HA 0.379 4.719 4.340 0.000 0.000 0.280 92 L C 1.861 178.796 176.870 0.109 0.000 1.240 92 L CA 0.715 55.630 54.840 0.123 0.000 0.831 92 L CB -0.450 41.700 42.059 0.152 0.000 1.100 92 L HN 0.515 nan 8.230 nan 0.000 0.505 93 G N 0.656 109.524 108.800 0.114 0.000 2.212 93 G HA2 -0.250 3.710 3.960 0.000 0.000 0.267 93 G HA3 -0.250 3.710 3.960 0.000 0.000 0.267 93 G C 0.209 175.187 174.900 0.130 0.000 1.002 93 G CA 0.106 45.276 45.100 0.116 0.000 0.729 93 G HN 0.494 nan 8.290 nan 0.000 0.517 94 R N -1.145 119.423 120.500 0.113 0.000 2.807 94 R HA 0.658 4.998 4.340 0.000 0.000 0.276 94 R C -0.654 175.681 176.300 0.059 0.000 0.979 94 R CA -1.256 54.890 56.100 0.076 0.000 0.928 94 R CB 1.089 31.420 30.300 0.051 0.000 1.191 94 R HN 0.091 nan 8.270 nan 0.000 0.471 95 I N 3.246 123.805 120.570 -0.018 0.000 2.297 95 I HA 0.217 4.387 4.170 0.000 0.000 0.291 95 I C 0.365 176.484 176.117 0.002 0.000 1.033 95 I CA -0.159 61.115 61.300 -0.043 0.000 1.253 95 I CB 0.523 38.377 38.000 -0.245 0.000 1.396 95 I HN 0.264 nan 8.210 nan 0.000 0.476 96 I N 4.590 125.203 120.570 0.071 0.000 2.677 96 I HA 0.342 4.512 4.170 0.000 0.000 0.305 96 I C 0.451 176.609 176.117 0.069 0.000 0.988 96 I CA -0.510 60.825 61.300 0.058 0.000 1.260 96 I CB 0.845 38.884 38.000 0.064 0.000 1.410 96 I HN 0.488 nan 8.210 nan 0.000 0.523 97 N N 1.307 120.032 118.700 0.041 0.000 2.502 97 N HA 0.206 4.946 4.740 0.000 0.000 0.280 97 N C 0.619 176.151 175.510 0.037 0.000 1.223 97 N CA -0.544 52.531 53.050 0.042 0.000 0.966 97 N CB 1.633 40.132 38.487 0.020 0.000 1.203 97 N HN 0.382 nan 8.380 nan 0.000 0.565 98 V N 1.407 121.342 119.914 0.035 0.000 2.594 98 V HA -0.053 4.067 4.120 0.000 0.000 0.253 98 V C 1.354 177.454 176.094 0.010 0.000 1.069 98 V CA 1.744 64.057 62.300 0.022 0.000 1.082 98 V CB -0.623 31.216 31.823 0.025 0.000 0.680 98 V HN 0.649 nan 8.190 nan 0.000 0.469 99 I N -1.588 118.989 120.570 0.012 0.000 3.884 99 I HA 0.554 4.725 4.170 0.000 0.000 0.330 99 I C 1.008 177.127 176.117 0.003 0.000 1.451 99 I CA 0.200 61.505 61.300 0.008 0.000 1.165 99 I CB -0.506 37.501 38.000 0.012 0.000 1.097 99 I HN 0.271 nan 8.210 nan 0.000 0.404 100 G N 1.821 110.623 108.800 0.003 0.000 2.370 100 G HA2 -0.193 3.767 3.960 0.000 0.000 0.295 100 G HA3 -0.193 3.767 3.960 0.000 0.000 0.295 100 G C -0.422 174.477 174.900 -0.002 0.000 1.045 100 G CA -0.060 45.039 45.100 -0.000 0.000 1.199 100 G HN 0.591 nan 8.290 nan 0.000 0.513 101 E N 0.004 120.205 120.200 0.002 0.000 2.317 101 E HA 0.406 4.756 4.350 0.000 0.000 0.270 101 E C -2.700 173.896 176.600 -0.007 0.000 0.885 101 E CA -2.035 54.362 56.400 -0.003 0.000 0.760 101 E CB 2.356 32.053 29.700 -0.004 0.000 1.227 101 E HN 0.105 nan 8.360 nan 0.000 0.434 102 P HA 0.122 nan 4.420 nan 0.000 0.268 102 P C 0.358 177.636 177.300 -0.037 0.000 1.204 102 P CA 0.006 63.093 63.100 -0.022 0.000 0.768 102 P CB 0.637 32.325 31.700 -0.019 0.000 0.842 103 I N 2.124 122.657 120.570 -0.062 0.000 4.312 103 I HA 0.008 4.178 4.170 0.000 0.000 0.324 103 I C 1.210 177.246 176.117 -0.135 0.000 1.298 103 I CA 0.614 61.857 61.300 -0.094 0.000 1.231 103 I CB -0.708 37.224 38.000 -0.114 0.000 1.152 103 I HN 0.310 nan 8.210 nan 0.000 0.421 104 D N 1.444 121.758 120.400 -0.144 0.000 2.378 104 D HA -0.159 4.481 4.640 0.000 0.000 0.227 104 D C 0.502 176.752 176.300 -0.084 0.000 1.012 104 D CA 0.282 54.186 54.000 -0.159 0.000 0.905 104 D CB -0.462 40.254 40.800 -0.141 0.000 0.895 104 D HN 0.407 nan 8.370 nan 0.000 0.532 105 E N -0.879 119.283 120.200 -0.064 0.000 2.883 105 E HA -0.277 4.073 4.350 0.000 0.000 0.271 105 E C 0.073 176.659 176.600 -0.023 0.000 1.049 105 E CA 0.356 56.732 56.400 -0.040 0.000 0.817 105 E CB -1.441 28.234 29.700 -0.041 0.000 1.407 105 E HN 0.421 nan 8.360 nan 0.000 0.434 106 R N 0.601 121.091 120.500 -0.017 0.000 3.541 106 R HA 0.279 4.619 4.340 0.000 0.000 0.277 106 R C 0.810 177.109 176.300 -0.002 0.000 1.539 106 R CA 0.435 56.534 56.100 -0.002 0.000 1.338 106 R CB 0.466 30.772 30.300 0.011 0.000 1.343 106 R HN 0.329 nan 8.270 nan 0.000 0.623 107 G N 1.703 110.499 108.800 -0.007 0.000 2.828 107 G HA2 -0.230 3.730 3.960 0.000 0.000 0.463 107 G HA3 -0.230 3.730 3.960 0.000 0.000 0.463 107 G C -2.525 172.371 174.900 -0.007 0.000 1.394 107 G CA -1.285 43.812 45.100 -0.006 0.000 0.862 107 G HN 0.131 nan 8.290 nan 0.000 0.540 108 P HA 0.410 nan 4.420 nan 0.000 0.270 108 P C 0.178 177.473 177.300 -0.007 0.000 1.223 108 P CA -0.232 62.863 63.100 -0.008 0.000 0.785 108 P CB 0.367 32.062 31.700 -0.008 0.000 0.923 109 I N 1.396 121.960 120.570 -0.010 0.000 2.307 109 I HA 0.199 4.369 4.170 0.000 0.000 0.287 109 I C 0.909 177.014 176.117 -0.020 0.000 1.054 109 I CA -0.646 60.647 61.300 -0.012 0.000 1.218 109 I CB 0.360 38.353 38.000 -0.013 0.000 1.398 109 I HN 0.214 nan 8.210 nan 0.000 0.475 110 K N 6.075 126.465 120.400 -0.016 0.000 2.079 110 K HA 0.093 4.413 4.320 0.000 0.000 0.255 110 K C 0.097 176.676 176.600 -0.035 0.000 1.114 110 K CA -0.096 56.178 56.287 -0.021 0.000 1.056 110 K CB 0.177 32.670 32.500 -0.013 0.000 1.176 110 K HN 0.723 nan 8.250 nan 0.000 0.353 111 S N 2.437 118.107 115.700 -0.049 0.000 2.525 111 S HA 0.268 4.738 4.470 0.000 0.000 0.290 111 S C 0.579 175.133 174.600 -0.077 0.000 1.152 111 S CA -0.914 57.239 58.200 -0.080 0.000 1.072 111 S CB 1.926 65.063 63.200 -0.105 0.000 1.027 111 S HN 0.535 nan 8.310 nan 0.000 0.500 112 K N 1.033 121.379 120.400 -0.090 0.000 2.217 112 K HA 0.226 4.546 4.320 0.000 0.000 0.202 112 K C 0.042 176.600 176.600 -0.071 0.000 1.051 112 K CA 0.881 57.129 56.287 -0.066 0.000 0.952 112 K CB -0.257 32.212 32.500 -0.052 0.000 0.736 112 K HN 0.547 nan 8.250 nan 0.000 0.453 113 L N -0.332 120.822 121.223 -0.115 0.000 2.479 113 L HA 0.444 4.784 4.340 0.000 0.000 0.255 113 L C -0.911 175.880 176.870 -0.131 0.000 1.026 113 L CA -1.050 53.729 54.840 -0.102 0.000 0.842 113 L CB 2.503 44.514 42.059 -0.080 0.000 1.444 113 L HN -0.149 nan 8.230 nan 0.000 0.409 114 R N 1.296 121.744 120.500 -0.087 0.000 2.574 114 R HA 0.555 4.895 4.340 0.000 0.000 0.288 114 R C -1.427 174.843 176.300 -0.050 0.000 1.004 114 R CA -0.910 55.143 56.100 -0.080 0.000 0.895 114 R CB 2.863 33.131 30.300 -0.054 0.000 1.191 114 R HN 0.486 nan 8.270 nan 0.000 0.444 115 K N 3.050 123.420 120.400 -0.049 0.000 2.318 115 K HA 0.460 4.780 4.320 0.000 0.000 0.249 115 K C -2.476 174.117 176.600 -0.012 0.000 0.942 115 K CA -2.074 54.203 56.287 -0.016 0.000 0.808 115 K CB 2.381 34.883 32.500 0.004 0.000 1.189 115 K HN 0.282 nan 8.250 nan 0.000 0.428 116 P HA -0.019 nan 4.420 nan 0.000 0.269 116 P C 0.804 178.095 177.300 -0.014 0.000 1.209 116 P CA -0.188 62.920 63.100 0.014 0.000 0.776 116 P CB 0.455 32.184 31.700 0.048 0.000 0.876 117 I N 0.286 120.814 120.570 -0.069 0.000 2.546 117 I HA -0.066 4.104 4.170 0.000 0.000 0.255 117 I C 0.533 176.526 176.117 -0.207 0.000 1.163 117 I CA 1.346 62.547 61.300 -0.166 0.000 1.457 117 I CB -1.528 36.316 38.000 -0.259 0.000 1.092 117 I HN 0.278 nan 8.210 nan 0.000 0.434 118 H N 3.554 122.626 119.070 0.004 0.000 2.982 118 H HA 0.642 5.199 4.556 0.000 0.000 0.261 118 H C -0.161 175.171 175.328 0.006 0.000 1.603 118 H CA 0.072 56.124 56.048 0.006 0.000 1.398 118 H CB 0.102 29.873 29.762 0.015 0.000 1.693 118 H HN 0.403 nan 8.280 nan 0.000 0.535 119 A N 3.255 126.121 122.820 0.076 0.000 2.342 119 A HA 0.286 4.606 4.320 0.000 0.000 0.323 119 A C -0.238 177.374 177.584 0.046 0.000 1.125 119 A CA -0.973 51.096 52.037 0.054 0.000 0.785 119 A CB 1.111 20.129 19.000 0.031 0.000 1.221 119 A HN 0.373 nan 8.150 nan 0.000 0.463 120 D N 3.708 124.134 120.400 0.044 0.000 2.424 120 D HA 0.288 4.928 4.640 0.000 0.000 0.244 120 D C -1.897 174.421 176.300 0.030 0.000 1.134 120 D CA -0.366 53.657 54.000 0.039 0.000 0.881 120 D CB 0.509 41.330 40.800 0.035 0.000 1.191 120 D HN 0.342 nan 8.370 nan 0.000 0.445 121 P HA 0.095 nan 4.420 nan 0.000 0.267 121 P C -2.397 174.920 177.300 0.029 0.000 1.200 121 P CA -0.943 62.172 63.100 0.026 0.000 0.772 121 P CB -0.449 31.271 31.700 0.033 0.000 0.855 122 P HA -0.051 nan 4.420 nan 0.000 0.264 122 P C 0.485 177.807 177.300 0.036 0.000 1.183 122 P CA 0.322 63.434 63.100 0.019 0.000 0.763 122 P CB 0.191 31.893 31.700 0.005 0.000 0.807 123 S N 2.306 118.032 115.700 0.042 0.000 2.617 123 S HA 0.036 4.506 4.470 0.000 0.000 0.255 123 S C 1.045 175.706 174.600 0.102 0.000 1.318 123 S CA -0.421 57.827 58.200 0.080 0.000 0.978 123 S CB -0.078 63.169 63.200 0.077 0.000 0.961 123 S HN 0.449 nan 8.310 nan 0.000 0.582 124 F N 1.120 121.074 119.950 0.008 0.000 2.186 124 F HA 0.069 4.597 4.527 0.000 0.000 0.299 124 F C 2.379 178.182 175.800 0.005 0.000 1.090 124 F CA 1.450 59.455 58.000 0.007 0.000 1.307 124 F CB -0.937 38.067 39.000 0.007 0.000 1.019 124 F HN 0.678 nan 8.300 nan 0.000 0.489 125 A N -0.010 122.827 122.820 0.028 0.000 1.968 125 A HA -0.117 4.203 4.320 0.000 0.000 0.217 125 A C 1.942 179.458 177.584 -0.112 0.000 1.169 125 A CA 1.415 53.412 52.037 -0.066 0.000 0.638 125 A CB -0.741 18.291 19.000 0.054 0.000 0.812 125 A HN 0.552 nan 8.150 nan 0.000 0.446 126 E N 0.410 120.568 120.200 -0.069 0.000 2.511 126 E HA -0.031 4.319 4.350 0.000 0.000 0.196 126 E C 0.024 176.571 176.600 -0.088 0.000 1.066 126 E CA -0.107 56.257 56.400 -0.059 0.000 0.871 126 E CB 0.059 29.744 29.700 -0.026 0.000 0.863 126 E HN 0.566 nan 8.360 nan 0.000 0.520 127 Q N 0.614 120.321 119.800 -0.155 0.000 2.421 127 Q HA 0.176 4.516 4.340 0.000 0.000 0.255 127 Q C -0.217 175.703 176.000 -0.133 0.000 1.013 127 Q CA 0.280 55.988 55.803 -0.158 0.000 0.895 127 Q CB 1.665 30.249 28.738 -0.258 0.000 1.271 127 Q HN -0.040 nan 8.270 nan 0.000 0.460 128 S N 0.509 116.154 115.700 -0.092 0.000 2.619 128 S HA 0.493 4.963 4.470 0.000 0.000 0.280 128 S C -1.152 173.416 174.600 -0.053 0.000 1.150 128 S CA -0.611 57.548 58.200 -0.069 0.000 0.978 128 S CB 0.955 64.127 63.200 -0.046 0.000 1.041 128 S HN 0.575 nan 8.310 nan 0.000 0.485 129 T N 1.475 116.000 114.554 -0.049 0.000 2.786 129 T HA 0.787 5.137 4.350 0.000 0.000 0.283 129 T C -0.413 174.275 174.700 -0.020 0.000 0.992 129 T CA -0.675 61.406 62.100 -0.032 0.000 0.954 129 T CB 1.126 69.974 68.868 -0.034 0.000 0.934 129 T HN 0.831 nan 8.240 nan 0.000 0.440 130 S N 1.391 117.085 115.700 -0.011 0.000 2.546 130 S HA 0.813 5.283 4.470 0.000 0.000 0.274 130 S C -0.795 173.807 174.600 0.002 0.000 1.121 130 S CA -1.138 57.059 58.200 -0.005 0.000 0.887 130 S CB 1.667 64.865 63.200 -0.005 0.000 1.094 130 S HN 1.345 nan 8.310 nan 0.000 0.474 131 A N 1.461 124.283 122.820 0.003 0.000 2.267 131 A HA 0.815 5.135 4.320 0.000 0.000 0.315 131 A C -0.307 177.282 177.584 0.008 0.000 1.297 131 A CA -0.449 51.592 52.037 0.007 0.000 0.865 131 A CB 0.502 19.504 19.000 0.004 0.000 1.165 131 A HN 0.910 nan 8.150 nan 0.000 0.513 132 E N 2.725 122.934 120.200 0.015 0.000 2.335 132 E HA 0.426 4.776 4.350 0.000 0.000 0.280 132 E C -1.049 175.568 176.600 0.028 0.000 0.918 132 E CA -0.739 55.671 56.400 0.017 0.000 0.765 132 E CB 1.187 30.896 29.700 0.016 0.000 1.218 132 E HN 0.538 nan 8.360 nan 0.000 0.425 133 I N 3.476 124.060 120.570 0.024 0.000 2.638 133 I HA 0.148 4.318 4.170 0.000 0.000 0.286 133 I C 0.035 176.184 176.117 0.054 0.000 1.088 133 I CA -0.332 60.988 61.300 0.034 0.000 1.397 133 I CB 0.502 38.514 38.000 0.020 0.000 1.414 133 I HN 0.488 nan 8.210 nan 0.000 0.566 134 L N 5.646 126.916 121.223 0.079 0.000 2.417 134 L HA 0.361 4.701 4.340 0.000 0.000 0.259 134 L C 0.194 177.120 176.870 0.094 0.000 1.023 134 L CA -0.295 54.606 54.840 0.102 0.000 0.901 134 L CB 0.568 42.718 42.059 0.151 0.000 1.227 134 L HN 0.597 nan 8.230 nan 0.000 0.454 135 E N 1.083 121.323 120.200 0.067 0.000 2.502 135 E HA -0.023 4.327 4.350 0.000 0.000 0.261 135 E C 0.439 177.076 176.600 0.060 0.000 0.974 135 E CA 0.994 57.424 56.400 0.050 0.000 0.936 135 E CB 0.825 30.552 29.700 0.044 0.000 0.926 135 E HN 0.775 nan 8.360 nan 0.000 0.459 136 T N 0.506 115.079 114.554 0.032 0.000 3.058 136 T HA 0.359 4.709 4.350 0.000 0.000 0.247 136 T C 1.286 176.005 174.700 0.031 0.000 0.987 136 T CA 0.601 62.727 62.100 0.043 0.000 1.062 136 T CB 0.628 69.491 68.868 -0.008 0.000 1.048 136 T HN 0.697 nan 8.240 nan 0.000 0.468 137 G N 1.627 110.435 108.800 0.014 0.000 2.491 137 G HA2 -0.123 3.837 3.960 0.000 0.000 0.203 137 G HA3 -0.123 3.837 3.960 0.000 0.000 0.203 137 G C -0.125 174.779 174.900 0.007 0.000 1.052 137 G CA -0.329 44.779 45.100 0.014 0.000 0.675 137 G HN 0.588 nan 8.290 nan 0.000 0.504 138 I N 2.771 123.360 120.570 0.031 0.000 2.741 138 I HA 0.174 4.344 4.170 0.000 0.000 0.288 138 I C 1.673 177.785 176.117 -0.009 0.000 1.192 138 I CA 0.635 61.969 61.300 0.057 0.000 1.426 138 I CB 0.884 38.972 38.000 0.145 0.000 1.367 138 I HN 0.250 nan 8.210 nan 0.000 0.563 139 K N 4.093 124.465 120.400 -0.046 0.000 2.057 139 K HA -0.112 4.208 4.320 0.000 0.000 0.206 139 K C 1.767 178.290 176.600 -0.128 0.000 1.050 139 K CA 1.191 57.422 56.287 -0.094 0.000 0.935 139 K CB -0.152 32.274 32.500 -0.123 0.000 0.715 139 K HN 0.539 nan 8.250 nan 0.000 0.439 140 V N 1.019 120.897 119.914 -0.060 0.000 2.287 140 V HA -0.236 3.885 4.120 0.000 0.000 0.248 140 V C 2.309 178.366 176.094 -0.062 0.000 1.053 140 V CA 1.605 63.870 62.300 -0.057 0.000 1.027 140 V CB -0.572 31.276 31.823 0.042 0.000 0.646 140 V HN 0.063 nan 8.190 nan 0.000 0.447 141 V N 0.191 120.090 119.914 -0.025 0.000 2.270 141 V HA -0.237 3.883 4.120 0.000 0.000 0.245 141 V C 2.351 178.362 176.094 -0.139 0.000 1.043 141 V CA 2.185 64.417 62.300 -0.113 0.000 1.014 141 V CB -0.804 30.888 31.823 -0.218 0.000 0.645 141 V HN 0.497 nan 8.190 nan 0.000 0.447 142 D N -0.388 119.947 120.400 -0.108 0.000 2.239 142 D HA -0.178 4.462 4.640 0.000 0.000 0.202 142 D C 1.765 178.080 176.300 0.024 0.000 0.993 142 D CA 1.428 55.398 54.000 -0.049 0.000 0.874 142 D CB 0.014 40.792 40.800 -0.037 0.000 0.922 142 D HN 0.372 nan 8.370 nan 0.000 0.464 143 L N -0.847 120.341 121.223 -0.058 0.000 2.347 143 L HA 0.170 4.510 4.340 0.000 0.000 0.196 143 L C 1.878 178.772 176.870 0.041 0.000 1.072 143 L CA 0.743 55.551 54.840 -0.054 0.000 0.817 143 L CB -0.033 41.809 42.059 -0.361 0.000 1.029 143 L HN -0.091 nan 8.230 nan 0.000 0.478 144 L N -0.360 120.828 121.223 -0.059 0.000 2.416 144 L HA 0.361 4.701 4.340 0.000 0.000 0.216 144 L C 0.497 177.359 176.870 -0.014 0.000 1.098 144 L CA 0.543 55.355 54.840 -0.046 0.000 0.840 144 L CB -0.141 41.877 42.059 -0.068 0.000 0.981 144 L HN 0.267 nan 8.230 nan 0.000 0.462 145 A N -0.083 122.727 122.820 -0.017 0.000 3.200 145 A HA 0.482 4.802 4.320 0.000 0.000 0.274 145 A C -2.740 174.813 177.584 -0.052 0.000 1.220 145 A CA -0.743 51.297 52.037 0.005 0.000 0.904 145 A CB -0.092 18.940 19.000 0.053 0.000 1.415 145 A HN -0.168 nan 8.150 nan 0.000 0.630 146 P HA 0.271 nan 4.420 nan 0.000 0.268 146 P C -0.522 176.806 177.300 0.047 0.000 1.205 146 P CA 0.390 63.446 63.100 -0.074 0.000 0.771 146 P CB 0.231 31.912 31.700 -0.032 0.000 0.858 147 Y N 1.193 121.528 120.300 0.059 0.000 2.299 147 Y HA 0.504 5.054 4.550 0.000 0.000 0.335 147 Y C 1.035 176.955 175.900 0.033 0.000 1.287 147 Y CA -1.170 56.961 58.100 0.051 0.000 1.424 147 Y CB 0.010 38.505 38.460 0.059 0.000 1.326 147 Y HN 0.342 nan 8.280 nan 0.000 0.567 148 A N 2.067 125.007 122.820 0.201 0.000 2.374 148 A HA 0.692 5.013 4.320 0.000 0.000 0.317 148 A C -0.519 177.107 177.584 0.071 0.000 1.094 148 A CA -1.150 50.949 52.037 0.104 0.000 0.765 148 A CB 0.905 19.948 19.000 0.071 0.000 1.268 148 A HN 0.789 nan 8.150 nan 0.000 0.438 149 R N 0.760 121.296 120.500 0.059 0.000 2.316 149 R HA 0.418 4.758 4.340 0.000 0.000 0.314 149 R C 1.157 177.474 176.300 0.029 0.000 1.069 149 R CA 1.026 57.156 56.100 0.051 0.000 0.959 149 R CB 0.443 30.773 30.300 0.050 0.000 0.987 149 R HN 1.598 nan 8.270 nan 0.000 0.446 150 G N 2.033 110.842 108.800 0.015 0.000 2.205 150 G HA2 -0.270 3.691 3.960 0.000 0.000 0.261 150 G HA3 -0.270 3.691 3.960 0.000 0.000 0.261 150 G C 0.530 175.419 174.900 -0.017 0.000 0.980 150 G CA -0.062 45.037 45.100 -0.002 0.000 0.632 150 G HN 0.862 nan 8.290 nan 0.000 0.533 151 G N -0.469 108.323 108.800 -0.014 0.000 2.580 151 G HA2 0.545 4.505 3.960 0.000 0.000 0.278 151 G HA3 0.545 4.505 3.960 0.000 0.000 0.278 151 G C -0.130 174.740 174.900 -0.050 0.000 1.212 151 G CA -0.496 44.595 45.100 -0.014 0.000 0.939 151 G HN 0.391 nan 8.290 nan 0.000 0.513 152 K N 0.282 120.660 120.400 -0.037 0.000 2.292 152 K HA 0.358 4.678 4.320 0.000 0.000 0.270 152 K C -0.913 175.642 176.600 -0.075 0.000 1.062 152 K CA -0.331 55.917 56.287 -0.065 0.000 0.916 152 K CB 1.439 33.923 32.500 -0.025 0.000 1.166 152 K HN 0.164 nan 8.250 nan 0.000 0.458 153 I N 1.289 121.757 120.570 -0.172 0.000 2.488 153 I HA 0.441 4.611 4.170 0.000 0.000 0.299 153 I C 0.534 176.527 176.117 -0.206 0.000 0.984 153 I CA -0.225 60.932 61.300 -0.239 0.000 1.250 153 I CB 1.976 39.621 38.000 -0.591 0.000 1.389 153 I HN 0.641 nan 8.210 nan 0.000 0.488 154 G N 5.862 114.583 108.800 -0.133 0.000 2.608 154 G HA2 0.570 4.530 3.960 0.000 0.000 0.285 154 G HA3 0.570 4.530 3.960 0.000 0.000 0.285 154 G C -1.344 173.471 174.900 -0.141 0.000 1.407 154 G CA -0.675 44.309 45.100 -0.194 0.000 1.276 154 G HN 0.696 nan 8.290 nan 0.000 0.587 155 L N 0.344 121.449 121.223 -0.197 0.000 2.289 155 L HA 0.927 5.267 4.340 0.000 0.000 0.285 155 L C -1.078 175.623 176.870 -0.280 0.000 1.049 155 L CA -0.918 53.855 54.840 -0.112 0.000 0.804 155 L CB 0.898 42.883 42.059 -0.124 0.000 1.195 155 L HN 0.239 nan 8.230 nan 0.000 0.428 156 F N 1.593 121.469 119.950 -0.124 0.000 2.497 156 F HA 0.959 5.486 4.527 0.000 0.000 0.331 156 F C 0.885 176.611 175.800 -0.124 0.000 1.060 156 F CA -0.205 57.715 58.000 -0.133 0.000 0.989 156 F CB 2.119 41.041 39.000 -0.129 0.000 1.245 156 F HN 0.838 nan 8.300 nan 0.000 0.486 157 G N -0.283 108.537 108.800 0.033 0.000 2.386 157 G HA2 0.451 4.411 3.960 0.000 0.000 0.302 157 G HA3 0.451 4.411 3.960 0.000 0.000 0.302 157 G C -0.596 174.183 174.900 -0.202 0.000 1.629 157 G CA -0.344 44.722 45.100 -0.057 0.000 0.917 157 G HN 0.953 nan 8.290 nan 0.000 0.676 158 G N -0.224 108.446 108.800 -0.218 0.000 2.529 158 G HA2 0.672 4.632 3.960 0.000 0.000 0.234 158 G HA3 0.672 4.632 3.960 0.000 0.000 0.234 158 G C 0.662 175.389 174.900 -0.289 0.000 1.527 158 G CA 0.569 45.443 45.100 -0.378 0.000 1.062 158 G HN 1.851 nan 8.290 nan 0.000 0.558 159 A N -1.935 120.799 122.820 -0.144 0.000 2.260 159 A HA 0.600 4.920 4.320 0.000 0.000 0.308 159 A C 1.035 178.653 177.584 0.058 0.000 1.254 159 A CA 0.704 52.785 52.037 0.072 0.000 0.874 159 A CB 0.229 19.344 19.000 0.191 0.000 1.153 159 A HN 2.401 nan 8.150 nan 0.000 0.527 160 G N 0.977 109.823 108.800 0.076 0.000 2.157 160 G HA2 -0.195 3.765 3.960 0.000 0.000 0.239 160 G HA3 -0.195 3.765 3.960 0.000 0.000 0.239 160 G C 0.833 175.792 174.900 0.100 0.000 0.982 160 G CA 0.811 45.956 45.100 0.075 0.000 0.650 160 G HN 1.982 nan 8.290 nan 0.000 0.527 161 V N -2.050 117.912 119.914 0.080 0.000 3.217 161 V HA 0.520 4.640 4.120 0.000 0.000 0.264 161 V C 1.906 178.098 176.094 0.162 0.000 1.135 161 V CA 1.377 63.735 62.300 0.096 0.000 1.142 161 V CB -0.321 31.519 31.823 0.027 0.000 0.754 161 V HN 2.267 nan 8.190 nan 0.000 0.484 162 G N 0.448 109.337 108.800 0.149 0.000 2.215 162 G HA2 -0.200 3.760 3.960 0.000 0.000 0.198 162 G HA3 -0.200 3.760 3.960 0.000 0.000 0.198 162 G C 0.487 175.485 174.900 0.164 0.000 1.047 162 G CA 0.332 45.543 45.100 0.185 0.000 0.747 162 G HN 0.451 nan 8.290 nan 0.000 0.495 163 K N -0.463 120.004 120.400 0.112 0.000 1.991 163 K HA -0.109 4.211 4.320 0.000 0.000 0.212 163 K C 2.635 179.320 176.600 0.142 0.000 1.049 163 K CA 2.017 58.366 56.287 0.102 0.000 0.932 163 K CB -0.375 32.164 32.500 0.065 0.000 0.717 163 K HN 0.372 nan 8.250 nan 0.000 0.441 164 T N 1.500 116.124 114.554 0.117 0.000 2.699 164 T HA -0.130 4.220 4.350 0.000 0.000 0.268 164 T C 2.083 176.840 174.700 0.095 0.000 1.036 164 T CA 1.553 63.717 62.100 0.107 0.000 1.147 164 T CB -0.355 68.567 68.868 0.090 0.000 0.862 164 T HN -0.032 nan 8.240 nan 0.000 0.446 165 V N 0.590 120.570 119.914 0.110 0.000 2.490 165 V HA -0.107 4.013 4.120 0.000 0.000 0.250 165 V C 1.966 178.023 176.094 -0.061 0.000 1.061 165 V CA 1.408 63.756 62.300 0.080 0.000 1.064 165 V CB -0.801 31.135 31.823 0.189 0.000 0.670 165 V HN 0.407 nan 8.190 nan 0.000 0.461 166 F N -0.080 119.782 119.950 -0.146 0.000 2.407 166 F HA 0.030 4.557 4.527 0.000 0.000 0.299 166 F C 1.965 177.684 175.800 -0.134 0.000 1.097 166 F CA 1.156 59.012 58.000 -0.239 0.000 1.422 166 F CB 0.049 38.991 39.000 -0.097 0.000 1.067 166 F HN 0.057 nan 8.300 nan 0.000 0.539 167 I N -0.597 120.020 120.570 0.078 0.000 2.400 167 I HA -0.214 3.956 4.170 0.000 0.000 0.248 167 I C 2.163 178.235 176.117 -0.075 0.000 1.109 167 I CA 0.726 62.060 61.300 0.057 0.000 1.425 167 I CB -0.629 37.442 38.000 0.119 0.000 1.094 167 I HN 0.095 nan 8.210 nan 0.000 0.425 168 Q N 0.762 120.512 119.800 -0.083 0.000 2.096 168 Q HA -0.294 4.046 4.340 0.000 0.000 0.204 168 Q C 2.071 177.983 176.000 -0.145 0.000 0.982 168 Q CA 1.966 57.700 55.803 -0.114 0.000 0.850 168 Q CB -0.248 28.450 28.738 -0.068 0.000 0.901 168 Q HN 0.397 nan 8.270 nan 0.000 0.422 169 E N 1.189 121.265 120.200 -0.207 0.000 2.085 169 E HA -0.153 4.197 4.350 0.000 0.000 0.194 169 E C 1.765 178.274 176.600 -0.152 0.000 0.994 169 E CA 0.932 57.208 56.400 -0.207 0.000 0.801 169 E CB -0.211 29.237 29.700 -0.420 0.000 0.743 169 E HN 0.295 nan 8.360 nan 0.000 0.453 170 L N 0.190 121.312 121.223 -0.169 0.000 2.362 170 L HA -0.076 4.264 4.340 0.000 0.000 0.219 170 L C 1.983 178.877 176.870 0.040 0.000 1.134 170 L CA 0.562 55.395 54.840 -0.012 0.000 0.807 170 L CB -0.187 41.935 42.059 0.104 0.000 0.927 170 L HN 0.282 nan 8.230 nan 0.000 0.447 171 I N -1.236 119.269 120.570 -0.109 0.000 2.867 171 I HA -0.097 4.073 4.170 0.000 0.000 0.265 171 I C 1.675 177.754 176.117 -0.065 0.000 1.162 171 I CA 0.428 61.629 61.300 -0.165 0.000 1.471 171 I CB -0.134 37.660 38.000 -0.343 0.000 1.123 171 I HN 0.185 nan 8.210 nan 0.000 0.440 172 N N 1.206 119.870 118.700 -0.061 0.000 2.396 172 N HA -0.092 4.648 4.740 0.000 0.000 0.180 172 N C 1.405 176.916 175.510 0.001 0.000 1.028 172 N CA 0.915 53.946 53.050 -0.032 0.000 0.893 172 N CB -0.098 38.368 38.487 -0.034 0.000 0.967 172 N HN 0.305 nan 8.380 nan 0.000 0.440 173 N N -0.267 118.443 118.700 0.016 0.000 2.319 173 N HA 0.117 4.857 4.740 0.000 0.000 0.189 173 N C 1.330 176.882 175.510 0.070 0.000 1.042 173 N CA 0.614 53.688 53.050 0.040 0.000 0.879 173 N CB -0.168 38.343 38.487 0.041 0.000 1.052 173 N HN 0.068 nan 8.380 nan 0.000 0.446 174 I N 1.181 121.814 120.570 0.106 0.000 2.385 174 I HA 0.082 4.252 4.170 0.000 0.000 0.244 174 I C 2.175 178.389 176.117 0.162 0.000 1.089 174 I CA 0.647 62.036 61.300 0.147 0.000 1.410 174 I CB -0.735 37.375 38.000 0.183 0.000 1.117 174 I HN 0.042 nan 8.210 nan 0.000 0.429 175 A N 0.507 123.424 122.820 0.162 0.000 1.978 175 A HA -0.244 4.077 4.320 0.000 0.000 0.220 175 A C 2.297 179.945 177.584 0.105 0.000 1.170 175 A CA 1.787 53.911 52.037 0.144 0.000 0.636 175 A CB -0.579 18.503 19.000 0.138 0.000 0.810 175 A HN 0.364 nan 8.150 nan 0.000 0.448 176 K N -0.687 119.755 120.400 0.071 0.000 2.025 176 K HA 0.035 4.355 4.320 0.000 0.000 0.207 176 K C 1.019 177.653 176.600 0.057 0.000 1.049 176 K CA 1.129 57.444 56.287 0.046 0.000 0.933 176 K CB -0.159 32.354 32.500 0.022 0.000 0.714 176 K HN 0.375 nan 8.250 nan 0.000 0.438 177 A N 0.826 123.689 122.820 0.072 0.000 3.232 177 A HA 0.149 4.469 4.320 0.000 0.000 0.312 177 A C 0.194 177.832 177.584 0.090 0.000 1.185 177 A CA -0.293 51.779 52.037 0.058 0.000 1.011 177 A CB -0.304 18.718 19.000 0.036 0.000 1.096 177 A HN 0.320 nan 8.150 nan 0.000 0.543 178 H N -0.124 118.948 119.070 0.003 0.000 2.481 178 H HA 0.395 4.951 4.556 0.000 0.000 0.291 178 H C 1.555 176.864 175.328 -0.031 0.000 1.009 178 H CA 2.084 58.132 56.048 -0.001 0.000 1.282 178 H CB 0.623 30.394 29.762 0.014 0.000 1.457 178 H HN 0.763 nan 8.280 nan 0.000 0.525 179 G N -0.524 108.245 108.800 -0.051 0.000 3.047 179 G HA2 -0.219 3.741 3.960 0.000 0.000 0.203 179 G HA3 -0.219 3.741 3.960 0.000 0.000 0.203 179 G C 1.048 175.858 174.900 -0.150 0.000 1.444 179 G CA 0.134 45.151 45.100 -0.139 0.000 1.020 179 G HN 0.819 nan 8.290 nan 0.000 0.563 180 G N 0.214 108.953 108.800 -0.101 0.000 2.546 180 G HA2 0.575 4.536 3.960 0.000 0.000 0.239 180 G HA3 0.575 4.536 3.960 0.000 0.000 0.239 180 G C 0.188 174.944 174.900 -0.239 0.000 1.476 180 G CA -0.192 44.774 45.100 -0.222 0.000 1.064 180 G HN 0.466 nan 8.290 nan 0.000 0.561 181 F N -0.762 119.216 119.950 0.047 0.000 2.348 181 F HA 0.638 5.165 4.527 0.000 0.000 0.308 181 F C 0.841 176.542 175.800 -0.165 0.000 1.175 181 F CA -0.283 57.645 58.000 -0.120 0.000 1.080 181 F CB 1.322 40.075 39.000 -0.411 0.000 1.341 181 F HN 0.251 nan 8.300 nan 0.000 0.518 182 S N -0.633 115.063 115.700 -0.006 0.000 2.565 182 S HA 0.713 5.183 4.470 0.000 0.000 0.269 182 S C -1.662 172.923 174.600 -0.025 0.000 1.153 182 S CA -0.819 57.365 58.200 -0.027 0.000 0.835 182 S CB 2.168 65.404 63.200 0.060 0.000 1.122 182 S HN 0.328 nan 8.310 nan 0.000 0.462 183 V N 2.358 122.294 119.914 0.035 0.000 2.668 183 V HA 0.529 4.649 4.120 0.000 0.000 0.304 183 V C -1.675 174.532 176.094 0.188 0.000 1.071 183 V CA -0.550 61.799 62.300 0.082 0.000 0.894 183 V CB 1.629 33.458 31.823 0.009 0.000 1.008 183 V HN 0.849 nan 8.190 nan 0.000 0.425 184 F N 3.695 123.695 119.950 0.084 0.000 2.402 184 F HA 0.705 5.232 4.527 0.000 0.000 0.355 184 F C 0.394 176.170 175.800 -0.040 0.000 1.123 184 F CA -0.058 57.983 58.000 0.067 0.000 1.021 184 F CB 1.585 40.604 39.000 0.032 0.000 1.160 184 F HN 0.500 nan 8.300 nan 0.000 0.451 185 T N 4.224 118.603 114.554 -0.291 0.000 2.829 185 T HA 0.582 4.932 4.350 0.000 0.000 0.282 185 T C 0.122 174.573 174.700 -0.415 0.000 0.990 185 T CA -0.626 61.326 62.100 -0.247 0.000 1.028 185 T CB 1.432 70.171 68.868 -0.215 0.000 0.951 185 T HN 0.826 nan 8.240 nan 0.000 0.460 186 G N 1.609 110.173 108.800 -0.394 0.000 2.955 186 G HA2 0.511 4.472 3.960 0.000 0.000 0.336 186 G HA3 0.511 4.472 3.960 0.000 0.000 0.336 186 G C -0.591 174.186 174.900 -0.205 0.000 1.264 186 G CA -0.446 44.420 45.100 -0.390 0.000 1.096 186 G HN 0.668 nan 8.290 nan 0.000 0.486 187 V N 2.244 122.079 119.914 -0.131 0.000 2.334 187 V HA 0.533 4.653 4.120 0.000 0.000 0.267 187 V C 1.319 177.404 176.094 -0.015 0.000 1.040 187 V CA 0.433 62.700 62.300 -0.055 0.000 0.866 187 V CB 0.662 32.460 31.823 -0.042 0.000 1.019 187 V HN 1.201 nan 8.190 nan 0.000 0.468 188 G N 3.605 112.407 108.800 0.003 0.000 2.356 188 G HA2 -0.192 3.768 3.960 0.000 0.000 0.296 188 G HA3 -0.192 3.768 3.960 0.000 0.000 0.296 188 G C 0.093 175.001 174.900 0.014 0.000 1.022 188 G CA 0.334 45.441 45.100 0.011 0.000 0.961 188 G HN 0.610 nan 8.290 nan 0.000 0.510 189 E N -0.886 119.329 120.200 0.026 0.000 2.396 189 E HA 0.419 4.769 4.350 0.000 0.000 0.251 189 E C 0.863 177.499 176.600 0.060 0.000 0.949 189 E CA -1.083 55.341 56.400 0.039 0.000 0.834 189 E CB 0.857 30.587 29.700 0.051 0.000 1.309 189 E HN 0.403 nan 8.360 nan 0.000 0.405 190 R N 0.106 120.645 120.500 0.065 0.000 2.585 190 R HA 0.083 4.423 4.340 0.000 0.000 0.275 190 R C 0.900 177.264 176.300 0.107 0.000 1.018 190 R CA 0.392 56.533 56.100 0.069 0.000 1.072 190 R CB 0.120 30.455 30.300 0.058 0.000 0.953 190 R HN 0.419 nan 8.270 nan 0.000 0.419 191 T N 1.462 116.073 114.554 0.096 0.000 3.051 191 T HA -0.017 4.333 4.350 0.000 0.000 0.255 191 T C 1.705 176.451 174.700 0.076 0.000 1.085 191 T CA 0.153 62.323 62.100 0.117 0.000 1.109 191 T CB 0.034 68.948 68.868 0.077 0.000 0.921 191 T HN 0.395 nan 8.240 nan 0.000 0.488 192 R N 1.939 122.472 120.500 0.054 0.000 2.081 192 R HA -0.012 4.328 4.340 0.000 0.000 0.235 192 R C 1.576 177.902 176.300 0.042 0.000 1.131 192 R CA 1.427 57.548 56.100 0.035 0.000 0.960 192 R CB -0.214 30.102 30.300 0.026 0.000 0.856 192 R HN 0.467 nan 8.270 nan 0.000 0.436 193 E N -1.252 118.984 120.200 0.059 0.000 2.502 193 E HA -0.002 4.348 4.350 0.000 0.000 0.194 193 E C 1.451 178.098 176.600 0.078 0.000 1.062 193 E CA 0.364 56.798 56.400 0.058 0.000 0.867 193 E CB 0.188 29.923 29.700 0.058 0.000 0.888 193 E HN 0.489 nan 8.360 nan 0.000 0.510 194 G N 1.270 110.148 108.800 0.130 0.000 2.411 194 G HA2 -0.228 3.733 3.960 0.000 0.000 0.213 194 G HA3 -0.228 3.733 3.960 0.000 0.000 0.213 194 G C 1.360 176.283 174.900 0.039 0.000 1.166 194 G CA 0.200 45.433 45.100 0.222 0.000 0.802 194 G HN 0.213 nan 8.290 nan 0.000 0.533 195 N N 0.669 119.365 118.700 -0.008 0.000 2.120 195 N HA -0.143 4.597 4.740 0.000 0.000 0.188 195 N C 1.493 177.030 175.510 0.046 0.000 1.024 195 N CA 1.323 54.368 53.050 -0.009 0.000 0.852 195 N CB -0.107 38.370 38.487 -0.016 0.000 1.003 195 N HN 0.124 nan 8.380 nan 0.000 0.424 196 D N 1.055 121.472 120.400 0.027 0.000 2.117 196 D HA -0.158 4.482 4.640 0.000 0.000 0.197 196 D C 2.027 178.322 176.300 -0.008 0.000 0.987 196 D CA 0.565 54.573 54.000 0.014 0.000 0.829 196 D CB -0.299 40.510 40.800 0.015 0.000 0.961 196 D HN 0.263 nan 8.370 nan 0.000 0.460 197 L N 0.216 121.428 121.223 -0.019 0.000 2.083 197 L HA -0.192 4.148 4.340 0.000 0.000 0.209 197 L C 2.235 179.076 176.870 -0.049 0.000 1.083 197 L CA 1.464 56.256 54.840 -0.081 0.000 0.752 197 L CB -0.808 41.140 42.059 -0.185 0.000 0.899 197 L HN 0.021 nan 8.230 nan 0.000 0.433 198 Y N 0.130 120.356 120.300 -0.123 0.000 2.293 198 Y HA -0.202 4.348 4.550 0.000 0.000 0.291 198 Y C 2.797 178.645 175.900 -0.087 0.000 1.137 198 Y CA 1.968 59.998 58.100 -0.117 0.000 1.202 198 Y CB -0.171 38.196 38.460 -0.155 0.000 0.990 198 Y HN 0.237 nan 8.280 nan 0.000 0.537 199 R N -0.125 120.315 120.500 -0.101 0.000 2.119 199 R HA -0.116 4.225 4.340 0.000 0.000 0.222 199 R C 2.119 178.328 176.300 -0.151 0.000 1.088 199 R CA 1.383 57.391 56.100 -0.154 0.000 0.984 199 R CB -0.132 30.141 30.300 -0.046 0.000 0.884 199 R HN 0.298 nan 8.270 nan 0.000 0.447 200 E N 0.444 120.576 120.200 -0.113 0.000 2.028 200 E HA -0.122 4.229 4.350 0.000 0.000 0.190 200 E C 1.798 178.325 176.600 -0.121 0.000 0.984 200 E CA 1.530 57.871 56.400 -0.099 0.000 0.800 200 E CB -0.014 29.637 29.700 -0.081 0.000 0.758 200 E HN 0.191 nan 8.360 nan 0.000 0.448 201 M N 0.274 119.788 119.600 -0.143 0.000 2.279 201 M HA -0.108 4.372 4.480 0.000 0.000 0.264 201 M C 2.135 178.340 176.300 -0.159 0.000 1.062 201 M CA 1.360 56.580 55.300 -0.134 0.000 1.099 201 M CB -0.548 31.980 32.600 -0.121 0.000 1.394 201 M HN 0.085 nan 8.290 nan 0.000 0.426 202 K N 0.354 120.609 120.400 -0.242 0.000 2.211 202 K HA -0.052 4.268 4.320 0.000 0.000 0.201 202 K C 1.544 178.048 176.600 -0.160 0.000 1.052 202 K CA 0.711 56.845 56.287 -0.255 0.000 0.973 202 K CB 0.331 32.567 32.500 -0.441 0.000 0.766 202 K HN 0.322 nan 8.250 nan 0.000 0.466 203 E N -0.482 119.635 120.200 -0.138 0.000 2.385 203 E HA -0.059 4.291 4.350 0.000 0.000 0.194 203 E C 1.408 177.967 176.600 -0.069 0.000 1.013 203 E CA 1.157 57.502 56.400 -0.092 0.000 0.866 203 E CB 0.478 30.130 29.700 -0.080 0.000 0.832 203 E HN 0.411 nan 8.360 nan 0.000 0.500 204 T N -3.008 111.504 114.554 -0.071 0.000 3.035 204 T HA 0.162 4.512 4.350 0.000 0.000 0.259 204 T C 1.524 176.198 174.700 -0.043 0.000 1.078 204 T CA 0.541 62.609 62.100 -0.052 0.000 1.132 204 T CB 0.543 69.380 68.868 -0.051 0.000 0.900 204 T HN 0.192 nan 8.240 nan 0.000 0.480 205 G N 0.104 108.874 108.800 -0.049 0.000 2.155 205 G HA2 -0.145 3.815 3.960 0.000 0.000 0.135 205 G HA3 -0.145 3.815 3.960 0.000 0.000 0.135 205 G C 0.476 175.360 174.900 -0.027 0.000 1.023 205 G CA -0.059 45.020 45.100 -0.035 0.000 0.688 205 G HN 0.495 nan 8.290 nan 0.000 0.499 206 V N 0.107 119.999 119.914 -0.036 0.000 3.212 206 V HA 0.369 4.489 4.120 0.000 0.000 0.244 206 V C 1.177 177.263 176.094 -0.014 0.000 1.151 206 V CA 0.495 62.784 62.300 -0.018 0.000 1.119 206 V CB 0.318 32.129 31.823 -0.021 0.000 0.838 206 V HN 0.383 nan 8.190 nan 0.000 0.470 207 I N 2.545 123.086 120.570 -0.047 0.000 2.330 207 I HA 0.349 4.520 4.170 0.000 0.000 0.286 207 I C -0.490 175.597 176.117 -0.049 0.000 1.025 207 I CA 0.079 61.351 61.300 -0.047 0.000 1.197 207 I CB 0.894 38.822 38.000 -0.120 0.000 1.358 207 I HN 0.177 nan 8.210 nan 0.000 0.467 208 N N 6.450 125.145 118.700 -0.009 0.000 2.462 208 N HA 0.156 4.896 4.740 0.000 0.000 0.242 208 N C 0.855 176.367 175.510 0.003 0.000 1.010 208 N CA -0.494 52.553 53.050 -0.006 0.000 0.939 208 N CB 1.328 39.822 38.487 0.012 0.000 1.127 208 N HN 0.440 nan 8.380 nan 0.000 0.509 209 L N 2.007 123.223 121.223 -0.012 0.000 2.141 209 L HA 0.176 4.516 4.340 0.000 0.000 0.209 209 L C 0.524 177.403 176.870 0.014 0.000 1.094 209 L CA 1.513 56.355 54.840 0.004 0.000 0.763 209 L CB -0.273 41.781 42.059 -0.009 0.000 0.908 209 L HN 0.446 nan 8.230 nan 0.000 0.437 210 E N -0.043 120.162 120.200 0.010 0.000 3.858 210 E HA 0.551 4.902 4.350 0.000 0.000 0.208 210 E C 0.140 176.750 176.600 0.016 0.000 1.041 210 E CA 0.098 56.506 56.400 0.013 0.000 1.368 210 E CB 0.619 30.324 29.700 0.009 0.000 1.176 210 E HN 0.536 nan 8.360 nan 0.000 0.448 211 G N 0.306 109.120 108.800 0.022 0.000 2.510 211 G HA2 0.132 4.092 3.960 0.000 0.000 0.277 211 G HA3 0.132 4.092 3.960 0.000 0.000 0.277 211 G C -1.274 173.651 174.900 0.041 0.000 1.223 211 G CA -0.701 44.415 45.100 0.028 0.000 0.887 211 G HN -0.006 nan 8.290 nan 0.000 0.485 212 E N 0.895 121.124 120.200 0.048 0.000 2.200 212 E HA 0.489 4.839 4.350 0.000 0.000 0.283 212 E C 0.010 176.653 176.600 0.072 0.000 1.015 212 E CA -0.166 56.277 56.400 0.071 0.000 0.819 212 E CB 1.612 31.359 29.700 0.079 0.000 1.081 212 E HN 0.583 nan 8.360 nan 0.000 0.397 213 S N 1.881 117.637 115.700 0.095 0.000 2.704 213 S HA 0.517 4.987 4.470 0.000 0.000 0.305 213 S C 0.352 175.039 174.600 0.144 0.000 1.107 213 S CA -0.913 57.343 58.200 0.093 0.000 0.993 213 S CB 1.999 65.247 63.200 0.081 0.000 1.110 213 S HN 0.407 nan 8.310 nan 0.000 0.534 214 K N -0.148 120.327 120.400 0.125 0.000 2.536 214 K HA 0.428 4.748 4.320 0.000 0.000 0.203 214 K C -0.937 175.749 176.600 0.143 0.000 1.063 214 K CA -0.007 56.380 56.287 0.166 0.000 1.063 214 K CB 1.382 33.930 32.500 0.079 0.000 0.843 214 K HN 0.427 nan 8.250 nan 0.000 0.521 215 V N 0.295 120.278 119.914 0.115 0.000 2.711 215 V HA 0.660 4.780 4.120 0.000 0.000 0.304 215 V C -1.834 174.323 176.094 0.105 0.000 1.097 215 V CA -0.667 61.689 62.300 0.094 0.000 0.906 215 V CB 1.654 33.534 31.823 0.096 0.000 1.015 215 V HN 0.152 nan 8.190 nan 0.000 0.427 216 A N 7.534 130.408 122.820 0.090 0.000 2.276 216 A HA 0.853 5.173 4.320 0.000 0.000 0.316 216 A C -0.743 176.943 177.584 0.169 0.000 1.229 216 A CA -0.570 51.538 52.037 0.119 0.000 0.851 216 A CB 0.655 19.718 19.000 0.105 0.000 1.165 216 A HN 0.964 nan 8.150 nan 0.000 0.513 217 L N 3.149 124.495 121.223 0.204 0.000 2.282 217 L HA 0.558 4.899 4.340 0.000 0.000 0.288 217 L C -0.795 176.270 176.870 0.324 0.000 1.033 217 L CA -0.784 54.246 54.840 0.317 0.000 0.807 217 L CB 1.531 43.805 42.059 0.358 0.000 1.209 217 L HN 0.390 nan 8.230 nan 0.000 0.423 218 V N 3.486 123.593 119.914 0.323 0.000 2.444 218 V HA 0.487 4.607 4.120 0.000 0.000 0.294 218 V C -0.637 175.586 176.094 0.215 0.000 1.022 218 V CA -0.424 62.018 62.300 0.236 0.000 0.850 218 V CB 1.657 33.536 31.823 0.094 0.000 0.992 218 V HN 0.383 nan 8.190 nan 0.000 0.426 219 F N 1.861 121.840 119.950 0.050 0.000 2.546 219 F HA 0.864 5.391 4.527 0.000 0.000 0.320 219 F C 0.651 176.467 175.800 0.026 0.000 1.076 219 F CA -0.787 57.243 58.000 0.049 0.000 0.928 219 F CB 2.620 41.636 39.000 0.026 0.000 1.189 219 F HN 0.560 nan 8.300 nan 0.000 0.465 220 G N 3.166 112.050 108.800 0.141 0.000 3.627 220 G HA2 0.297 4.257 3.960 0.000 0.000 0.295 220 G HA3 0.297 4.257 3.960 0.000 0.000 0.295 220 G C -1.180 173.761 174.900 0.069 0.000 2.784 220 G CA -0.589 44.565 45.100 0.090 0.000 0.644 220 G HN 0.277 nan 8.290 nan 0.000 0.341 221 Q N 1.139 121.002 119.800 0.105 0.000 2.222 221 Q HA 0.332 4.672 4.340 0.000 0.000 0.211 221 Q C 2.131 178.160 176.000 0.049 0.000 1.013 221 Q CA -0.786 55.069 55.803 0.087 0.000 0.993 221 Q CB 0.841 29.661 28.738 0.137 0.000 1.151 221 Q HN 0.716 nan 8.270 nan 0.000 0.544 222 M N -0.253 119.370 119.600 0.038 0.000 2.446 222 M HA -0.107 4.373 4.480 0.000 0.000 0.263 222 M C 0.933 177.241 176.300 0.014 0.000 1.066 222 M CA 1.615 56.925 55.300 0.017 0.000 1.087 222 M CB -0.509 32.095 32.600 0.008 0.000 1.406 222 M HN 0.409 nan 8.290 nan 0.000 0.459 223 N N 1.150 119.865 118.700 0.024 0.000 2.461 223 N HA -0.004 4.736 4.740 0.000 0.000 0.188 223 N C -0.508 175.011 175.510 0.015 0.000 1.134 223 N CA 0.269 53.329 53.050 0.017 0.000 0.878 223 N CB -0.137 38.361 38.487 0.019 0.000 0.972 223 N HN 0.592 nan 8.380 nan 0.000 0.456 224 E N 1.391 121.603 120.200 0.019 0.000 2.191 224 E HA 0.374 4.724 4.350 0.000 0.000 0.278 224 E C -2.423 174.182 176.600 0.008 0.000 0.972 224 E CA -2.217 54.193 56.400 0.017 0.000 0.804 224 E CB 1.148 30.865 29.700 0.027 0.000 1.110 224 E HN 0.107 nan 8.360 nan 0.000 0.394 225 P HA -0.114 nan 4.420 nan 0.000 0.270 225 P C -1.814 175.484 177.300 -0.004 0.000 1.216 225 P CA -0.711 62.388 63.100 -0.002 0.000 0.788 225 P CB -0.067 31.633 31.700 0.000 0.000 0.883 226 P HA -0.242 nan 4.420 nan 0.000 0.215 226 P C 1.530 178.824 177.300 -0.009 0.000 1.163 226 P CA 2.382 65.467 63.100 -0.025 0.000 0.894 226 P CB -0.763 30.915 31.700 -0.036 0.000 0.791 227 G N 0.053 108.853 108.800 0.001 0.000 2.475 227 G HA2 -0.263 3.697 3.960 0.000 0.000 0.220 227 G HA3 -0.263 3.697 3.960 0.000 0.000 0.220 227 G C 1.773 176.691 174.900 0.030 0.000 1.125 227 G CA 1.255 46.366 45.100 0.018 0.000 0.755 227 G HN 0.434 nan 8.290 nan 0.000 0.565 228 A N 0.791 123.626 122.820 0.024 0.000 1.840 228 A HA 0.096 4.416 4.320 0.000 0.000 0.214 228 A C 2.436 180.042 177.584 0.036 0.000 1.198 228 A CA 1.472 53.527 52.037 0.029 0.000 0.608 228 A CB -0.372 18.644 19.000 0.025 0.000 0.839 228 A HN 0.321 nan 8.150 nan 0.000 0.443 229 R N -0.341 120.178 120.500 0.030 0.000 2.120 229 R HA -0.047 4.293 4.340 0.000 0.000 0.234 229 R C 2.234 178.588 176.300 0.090 0.000 1.123 229 R CA 1.074 57.197 56.100 0.039 0.000 0.975 229 R CB -0.406 29.902 30.300 0.013 0.000 0.866 229 R HN 0.504 nan 8.270 nan 0.000 0.446 230 A N 0.591 123.463 122.820 0.086 0.000 2.121 230 A HA -0.063 4.257 4.320 0.000 0.000 0.218 230 A C 1.713 179.462 177.584 0.276 0.000 1.154 230 A CA 1.043 53.180 52.037 0.167 0.000 0.679 230 A CB 0.056 19.080 19.000 0.040 0.000 0.795 230 A HN 0.063 nan 8.150 nan 0.000 0.458 231 R N -1.860 118.721 120.500 0.134 0.000 2.369 231 R HA 0.129 4.469 4.340 0.000 0.000 0.210 231 R C 1.782 178.077 176.300 -0.009 0.000 0.881 231 R CA 0.867 57.005 56.100 0.063 0.000 1.031 231 R CB -1.371 28.956 30.300 0.045 0.000 1.184 231 R HN 0.334 nan 8.270 nan 0.000 0.581 232 V N 1.727 121.647 119.914 0.009 0.000 2.546 232 V HA -0.222 3.898 4.120 0.000 0.000 0.254 232 V C 1.997 178.051 176.094 -0.067 0.000 1.076 232 V CA 2.141 64.430 62.300 -0.018 0.000 1.087 232 V CB -0.394 31.430 31.823 0.001 0.000 0.674 232 V HN 0.293 nan 8.190 nan 0.000 0.470 233 A N -0.180 122.580 122.820 -0.100 0.000 1.855 233 A HA -0.082 4.238 4.320 0.000 0.000 0.215 233 A C 2.102 179.558 177.584 -0.213 0.000 1.191 233 A CA 1.885 53.805 52.037 -0.196 0.000 0.613 233 A CB -0.603 18.196 19.000 -0.335 0.000 0.829 233 A HN 0.555 nan 8.150 nan 0.000 0.442 234 L N -0.562 120.523 121.223 -0.231 0.000 2.042 234 L HA -0.199 4.141 4.340 0.000 0.000 0.210 234 L C 2.801 179.575 176.870 -0.161 0.000 1.076 234 L CA 1.808 56.515 54.840 -0.222 0.000 0.749 234 L CB -1.151 40.740 42.059 -0.279 0.000 0.893 234 L HN 0.346 nan 8.230 nan 0.000 0.432 235 T N -0.123 114.353 114.554 -0.129 0.000 2.595 235 T HA -0.188 4.162 4.350 0.000 0.000 0.264 235 T C 1.838 176.506 174.700 -0.053 0.000 1.058 235 T CA 1.692 63.743 62.100 -0.082 0.000 1.166 235 T CB -0.800 68.038 68.868 -0.050 0.000 0.863 235 T HN 0.575 nan 8.240 nan 0.000 0.415 236 G N 1.021 109.790 108.800 -0.051 0.000 2.462 236 G HA2 -0.155 3.805 3.960 0.000 0.000 0.220 236 G HA3 -0.155 3.805 3.960 0.000 0.000 0.220 236 G C 1.530 176.410 174.900 -0.033 0.000 1.121 236 G CA 0.827 45.910 45.100 -0.029 0.000 0.758 236 G HN 0.404 nan 8.290 nan 0.000 0.559 237 L N 0.897 122.078 121.223 -0.070 0.000 2.072 237 L HA 0.050 4.390 4.340 0.000 0.000 0.205 237 L C 2.841 179.702 176.870 -0.015 0.000 1.079 237 L CA 2.442 57.243 54.840 -0.065 0.000 0.752 237 L CB -0.956 41.035 42.059 -0.113 0.000 0.906 237 L HN 0.144 nan 8.230 nan 0.000 0.436 238 T N 0.521 115.062 114.554 -0.021 0.000 2.803 238 T HA -0.121 4.229 4.350 0.000 0.000 0.269 238 T C 1.943 176.681 174.700 0.064 0.000 1.052 238 T CA 1.497 63.602 62.100 0.009 0.000 1.136 238 T CB -0.278 68.578 68.868 -0.019 0.000 0.864 238 T HN 0.222 nan 8.240 nan 0.000 0.467 239 I N 1.651 122.264 120.570 0.071 0.000 2.286 239 I HA -0.067 4.103 4.170 0.000 0.000 0.248 239 I C 2.834 179.142 176.117 0.318 0.000 1.115 239 I CA 1.045 62.436 61.300 0.151 0.000 1.392 239 I CB -1.646 36.437 38.000 0.138 0.000 1.065 239 I HN 0.206 nan 8.210 nan 0.000 0.418 240 A N 0.454 123.400 122.820 0.210 0.000 1.930 240 A HA -0.119 4.202 4.320 0.000 0.000 0.215 240 A C 2.195 179.917 177.584 0.230 0.000 1.176 240 A CA 0.810 52.981 52.037 0.223 0.000 0.632 240 A CB -0.505 18.531 19.000 0.061 0.000 0.819 240 A HN 0.415 nan 8.150 nan 0.000 0.445 241 E N -1.711 118.576 120.200 0.145 0.000 2.268 241 E HA -0.185 4.165 4.350 0.000 0.000 0.195 241 E C 1.565 178.232 176.600 0.112 0.000 0.995 241 E CA 1.036 57.496 56.400 0.099 0.000 0.836 241 E CB -0.197 29.535 29.700 0.054 0.000 0.763 241 E HN 0.820 nan 8.360 nan 0.000 0.491 242 Y N -0.248 120.064 120.300 0.020 0.000 2.243 242 Y HA -0.149 4.401 4.550 0.000 0.000 0.293 242 Y C 1.556 177.372 175.900 -0.139 0.000 1.124 242 Y CA 1.250 59.289 58.100 -0.102 0.000 1.159 242 Y CB -0.087 38.241 38.460 -0.220 0.000 1.008 242 Y HN -0.061 nan 8.280 nan 0.000 0.527 243 F N 0.088 120.073 119.950 0.058 0.000 2.451 243 F HA -0.070 4.457 4.527 0.000 0.000 0.299 243 F C 2.581 178.371 175.800 -0.018 0.000 1.101 243 F CA 1.443 59.441 58.000 -0.003 0.000 1.436 243 F CB -0.248 38.783 39.000 0.052 0.000 1.074 243 F HN -0.006 nan 8.300 nan 0.000 0.553 244 R N 0.022 120.596 120.500 0.123 0.000 2.128 244 R HA -0.040 4.300 4.340 0.000 0.000 0.211 244 R C 1.207 177.490 176.300 -0.027 0.000 1.067 244 R CA 1.154 57.290 56.100 0.060 0.000 1.010 244 R CB -0.018 30.317 30.300 0.058 0.000 0.922 244 R HN 0.094 nan 8.270 nan 0.000 0.457 245 D N 0.087 120.429 120.400 -0.096 0.000 2.277 245 D HA -0.031 4.609 4.640 0.000 0.000 0.209 245 D C 1.257 177.422 176.300 -0.225 0.000 0.970 245 D CA 0.809 54.730 54.000 -0.131 0.000 0.874 245 D CB 0.388 41.124 40.800 -0.107 0.000 0.982 245 D HN 0.194 nan 8.370 nan 0.000 0.504 246 E N -0.076 119.865 120.200 -0.432 0.000 2.434 246 E HA 0.020 4.370 4.350 0.000 0.000 0.207 246 E C 1.398 177.756 176.600 -0.404 0.000 0.929 246 E CA 0.241 56.321 56.400 -0.533 0.000 1.001 246 E CB 0.720 29.794 29.700 -1.043 0.000 1.016 246 E HN 0.101 nan 8.360 nan 0.000 0.502 247 E N 0.356 120.347 120.200 -0.348 0.000 2.216 247 E HA 0.074 4.424 4.350 0.000 0.000 0.192 247 E C 0.976 177.588 176.600 0.021 0.000 0.973 247 E CA 0.984 57.311 56.400 -0.122 0.000 0.851 247 E CB 0.215 29.887 29.700 -0.046 0.000 0.804 247 E HN 0.241 nan 8.360 nan 0.000 0.477 248 G N 1.046 109.853 108.800 0.012 0.000 2.198 248 G HA2 -0.260 3.700 3.960 0.000 0.000 0.260 248 G HA3 -0.260 3.700 3.960 0.000 0.000 0.260 248 G C -0.075 174.884 174.900 0.099 0.000 1.025 248 G CA 0.622 45.746 45.100 0.040 0.000 0.769 248 G HN 0.188 nan 8.290 nan 0.000 0.507 249 Q N -0.237 119.674 119.800 0.185 0.000 2.241 249 Q HA 0.444 4.784 4.340 0.000 0.000 0.262 249 Q C -0.595 175.520 176.000 0.193 0.000 1.014 249 Q CA -0.811 55.122 55.803 0.217 0.000 0.885 249 Q CB 1.110 30.087 28.738 0.399 0.000 1.311 249 Q HN 0.266 nan 8.270 nan 0.000 0.461 250 D N 0.769 121.255 120.400 0.144 0.000 2.358 250 D HA 0.213 4.853 4.640 0.000 0.000 0.258 250 D C -0.527 175.923 176.300 0.251 0.000 1.223 250 D CA 0.143 54.238 54.000 0.160 0.000 0.886 250 D CB 0.702 41.563 40.800 0.102 0.000 1.120 250 D HN 0.047 nan 8.370 nan 0.000 0.482 251 V N 3.446 123.459 119.914 0.166 0.000 2.713 251 V HA 0.410 4.531 4.120 0.000 0.000 0.307 251 V C 0.240 176.291 176.094 -0.071 0.000 1.052 251 V CA -0.933 61.413 62.300 0.076 0.000 0.967 251 V CB 1.849 33.710 31.823 0.062 0.000 1.019 251 V HN 0.387 nan 8.190 nan 0.000 0.459 252 L N 4.075 125.172 121.223 -0.211 0.000 2.356 252 L HA 0.658 4.998 4.340 0.000 0.000 0.277 252 L C -1.436 175.248 176.870 -0.310 0.000 0.996 252 L CA -0.704 53.914 54.840 -0.370 0.000 0.822 252 L CB 1.701 43.428 42.059 -0.553 0.000 1.256 252 L HN 0.559 nan 8.230 nan 0.000 0.413 253 L N 4.581 125.534 121.223 -0.450 0.000 2.381 253 L HA 0.607 4.947 4.340 0.000 0.000 0.274 253 L C -1.577 174.927 176.870 -0.611 0.000 0.988 253 L CA 0.036 54.656 54.840 -0.366 0.000 0.824 253 L CB 1.709 43.622 42.059 -0.243 0.000 1.263 253 L HN 0.302 nan 8.230 nan 0.000 0.410 254 F N 5.844 125.634 119.950 -0.267 0.000 2.482 254 F HA 0.636 5.163 4.527 0.000 0.000 0.331 254 F C -0.228 175.223 175.800 -0.583 0.000 1.115 254 F CA -0.716 57.038 58.000 -0.409 0.000 0.955 254 F CB 1.746 40.471 39.000 -0.459 0.000 1.136 254 F HN 0.131 nan 8.300 nan 0.000 0.452 255 I N 2.645 123.028 120.570 -0.313 0.000 2.418 255 I HA 0.320 4.490 4.170 0.000 0.000 0.287 255 I C -1.235 174.712 176.117 -0.284 0.000 1.008 255 I CA -0.605 60.494 61.300 -0.335 0.000 1.104 255 I CB 1.513 39.364 38.000 -0.248 0.000 1.264 255 I HN 0.522 nan 8.210 nan 0.000 0.438 256 D N 5.627 125.842 120.400 -0.308 0.000 2.616 256 D HA 0.223 4.863 4.640 0.000 0.000 0.238 256 D C -1.140 175.107 176.300 -0.088 0.000 1.354 256 D CA -0.223 53.686 54.000 -0.153 0.000 0.970 256 D CB 1.267 42.009 40.800 -0.096 0.000 1.369 256 D HN 0.412 nan 8.370 nan 0.000 0.585 257 N N 4.424 123.109 118.700 -0.024 0.000 2.372 257 N HA 0.173 4.913 4.740 0.000 0.000 0.285 257 N C 0.864 176.395 175.510 0.036 0.000 1.008 257 N CA -0.522 52.535 53.050 0.012 0.000 0.880 257 N CB 1.533 40.074 38.487 0.089 0.000 1.239 257 N HN 0.472 nan 8.380 nan 0.000 0.484 258 I N 4.424 124.991 120.570 -0.005 0.000 2.399 258 I HA -0.202 3.968 4.170 0.000 0.000 0.254 258 I C 1.650 177.846 176.117 0.131 0.000 1.146 258 I CA 1.219 62.525 61.300 0.010 0.000 1.412 258 I CB -0.477 37.482 38.000 -0.068 0.000 1.076 258 I HN 0.634 nan 8.210 nan 0.000 0.432 259 F N 1.475 121.443 119.950 0.029 0.000 2.216 259 F HA -0.206 4.321 4.527 0.000 0.000 0.300 259 F C 2.265 178.117 175.800 0.086 0.000 1.085 259 F CA 1.353 59.402 58.000 0.083 0.000 1.326 259 F CB -0.365 38.715 39.000 0.132 0.000 1.027 259 F HN -0.017 nan 8.300 nan 0.000 0.497 260 R N 0.006 120.514 120.500 0.012 0.000 2.193 260 R HA -0.194 4.146 4.340 0.000 0.000 0.229 260 R C 2.072 178.304 176.300 -0.113 0.000 1.110 260 R CA 1.186 57.224 56.100 -0.104 0.000 0.988 260 R CB -1.855 28.450 30.300 0.008 0.000 0.871 260 R HN 0.488 nan 8.270 nan 0.000 0.458 261 F N 1.739 121.586 119.950 -0.170 0.000 2.146 261 F HA -0.122 4.405 4.527 0.000 0.000 0.298 261 F C 1.717 177.424 175.800 -0.154 0.000 1.096 261 F CA 1.505 59.424 58.000 -0.135 0.000 1.275 261 F CB -0.264 38.673 39.000 -0.105 0.000 1.008 261 F HN -0.116 nan 8.300 nan 0.000 0.480 262 T N 0.081 114.359 114.554 -0.461 0.000 2.851 262 T HA -0.150 4.200 4.350 0.000 0.000 0.262 262 T C 1.859 176.315 174.700 -0.407 0.000 1.043 262 T CA 1.180 62.981 62.100 -0.497 0.000 1.140 262 T CB -0.354 68.353 68.868 -0.268 0.000 0.872 262 T HN 0.396 nan 8.240 nan 0.000 0.446 263 Q N 1.108 120.562 119.800 -0.576 0.000 2.002 263 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 263 Q C 2.566 178.401 176.000 -0.275 0.000 0.988 263 Q CA 1.818 57.342 55.803 -0.465 0.000 0.843 263 Q CB -0.394 28.005 28.738 -0.565 0.000 0.908 263 Q HN 0.517 nan 8.270 nan 0.000 0.420 264 A N 0.363 123.038 122.820 -0.242 0.000 1.986 264 A HA -0.165 4.155 4.320 0.000 0.000 0.220 264 A C 2.221 179.697 177.584 -0.180 0.000 1.171 264 A CA 1.770 53.708 52.037 -0.165 0.000 0.640 264 A CB -1.345 17.586 19.000 -0.114 0.000 0.811 264 A HN 0.655 nan 8.150 nan 0.000 0.451 265 G N 0.071 108.710 108.800 -0.268 0.000 2.446 265 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 265 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 265 G C 2.002 176.806 174.900 -0.159 0.000 1.168 265 G CA 1.905 46.852 45.100 -0.254 0.000 0.771 265 G HN 0.904 nan 8.290 nan 0.000 0.551 266 S N 0.703 116.311 115.700 -0.153 0.000 2.383 266 S HA -0.078 4.392 4.470 0.000 0.000 0.227 266 S C 1.946 176.474 174.600 -0.119 0.000 1.026 266 S CA 1.600 59.723 58.200 -0.127 0.000 0.981 266 S CB -0.409 62.666 63.200 -0.208 0.000 0.818 266 S HN 0.598 nan 8.310 nan 0.000 0.472 267 E N 1.175 121.301 120.200 -0.123 0.000 2.065 267 E HA -0.174 4.176 4.350 0.000 0.000 0.201 267 E C 2.351 178.910 176.600 -0.069 0.000 1.016 267 E CA 1.901 58.245 56.400 -0.093 0.000 0.818 267 E CB -0.624 29.026 29.700 -0.084 0.000 0.749 267 E HN 0.700 nan 8.360 nan 0.000 0.453 268 V N -1.523 118.353 119.914 -0.064 0.000 2.951 268 V HA -0.049 4.071 4.120 0.000 0.000 0.255 268 V C 2.220 178.291 176.094 -0.039 0.000 1.088 268 V CA 1.492 63.765 62.300 -0.045 0.000 1.109 268 V CB 0.236 32.037 31.823 -0.037 0.000 0.724 268 V HN 0.130 nan 8.190 nan 0.000 0.471 269 S N 1.357 117.028 115.700 -0.048 0.000 2.402 269 S HA -0.187 4.283 4.470 0.000 0.000 0.233 269 S C 2.109 176.693 174.600 -0.026 0.000 1.030 269 S CA 1.923 60.102 58.200 -0.035 0.000 1.003 269 S CB -0.561 62.617 63.200 -0.037 0.000 0.813 269 S HN 1.017 nan 8.310 nan 0.000 0.477 270 A N 0.557 123.358 122.820 -0.032 0.000 2.015 270 A HA 0.140 4.460 4.320 0.000 0.000 0.219 270 A C 2.023 179.596 177.584 -0.018 0.000 1.163 270 A CA 1.196 53.218 52.037 -0.025 0.000 0.646 270 A CB -0.411 18.570 19.000 -0.032 0.000 0.806 270 A HN 0.602 nan 8.150 nan 0.000 0.448 271 L N -1.330 119.882 121.223 -0.019 0.000 2.513 271 L HA 0.192 4.532 4.340 0.000 0.000 0.222 271 L C 1.838 178.703 176.870 -0.008 0.000 1.096 271 L CA 0.004 54.837 54.840 -0.013 0.000 0.857 271 L CB -0.088 41.963 42.059 -0.015 0.000 1.026 271 L HN 0.255 nan 8.230 nan 0.000 0.469 272 L N 0.446 121.664 121.223 -0.009 0.000 2.465 272 L HA 0.056 4.396 4.340 0.000 0.000 0.224 272 L C 1.029 177.900 176.870 0.002 0.000 1.145 272 L CA 0.701 55.539 54.840 -0.002 0.000 0.834 272 L CB -0.412 41.645 42.059 -0.004 0.000 0.944 272 L HN 0.487 nan 8.230 nan 0.000 0.451 273 G N 0.939 109.739 108.800 -0.000 0.000 2.325 273 G HA2 -0.216 3.744 3.960 0.000 0.000 0.248 273 G HA3 -0.216 3.744 3.960 0.000 0.000 0.248 273 G C -0.151 174.751 174.900 0.004 0.000 1.108 273 G CA -0.492 44.610 45.100 0.003 0.000 0.881 273 G HN 0.337 nan 8.290 nan 0.000 0.494 274 R N -0.532 119.969 120.500 0.002 0.000 2.711 274 R HA 0.606 4.946 4.340 0.000 0.000 0.284 274 R C 0.347 176.650 176.300 0.006 0.000 0.968 274 R CA -1.179 54.925 56.100 0.005 0.000 0.924 274 R CB 1.404 31.707 30.300 0.005 0.000 1.162 274 R HN 0.143 nan 8.270 nan 0.000 0.465 275 I N 4.637 125.212 120.570 0.009 0.000 2.363 275 I HA 0.115 4.285 4.170 0.000 0.000 0.292 275 I C -1.695 174.432 176.117 0.016 0.000 1.075 275 I CA -2.459 58.848 61.300 0.011 0.000 1.333 275 I CB 0.087 38.094 38.000 0.012 0.000 1.415 275 I HN 0.331 nan 8.210 nan 0.000 0.502 276 P HA -0.028 nan 4.420 nan 0.000 0.263 276 P C 0.299 177.621 177.300 0.036 0.000 1.168 276 P CA 0.343 63.455 63.100 0.020 0.000 0.759 276 P CB 1.147 32.853 31.700 0.010 0.000 0.782 277 S N 1.954 117.689 115.700 0.058 0.000 2.218 277 S HA 0.512 4.983 4.470 0.000 0.000 0.225 277 S C 0.133 174.785 174.600 0.088 0.000 1.243 277 S CA -0.038 58.205 58.200 0.072 0.000 1.057 277 S CB -0.092 63.160 63.200 0.087 0.000 0.985 277 S HN 0.594 nan 8.310 nan 0.000 0.434 278 A N 0.469 123.355 122.820 0.109 0.000 2.404 278 A HA 0.518 4.838 4.320 0.000 0.000 0.273 278 A C 0.578 178.281 177.584 0.199 0.000 1.144 278 A CA -0.037 52.070 52.037 0.117 0.000 0.806 278 A CB -0.486 18.568 19.000 0.089 0.000 1.080 278 A HN 1.462 nan 8.150 nan 0.000 0.509 279 V N 1.906 121.912 119.914 0.153 0.000 4.868 279 V HA -0.294 3.827 4.120 0.000 0.000 0.274 279 V C 1.649 177.806 176.094 0.105 0.000 0.450 279 V CA 1.506 63.905 62.300 0.166 0.000 0.773 279 V CB -2.443 29.539 31.823 0.266 0.000 0.704 279 V HN 2.802 nan 8.190 nan 0.000 1.326 280 G N -2.436 106.400 108.800 0.061 0.000 2.162 280 G HA2 -0.352 3.608 3.960 0.000 0.000 0.260 280 G HA3 -0.352 3.608 3.960 0.000 0.000 0.260 280 G C -0.123 174.728 174.900 -0.082 0.000 0.976 280 G CA 0.525 45.607 45.100 -0.030 0.000 0.655 280 G HN 0.901 nan 8.290 nan 0.000 0.533 281 Y N 1.375 121.683 120.300 0.013 0.000 2.299 281 Y HA 0.410 4.960 4.550 0.000 0.000 0.335 281 Y C 1.373 177.264 175.900 -0.015 0.000 1.287 281 Y CA -0.043 58.055 58.100 -0.003 0.000 1.424 281 Y CB 0.529 38.997 38.460 0.013 0.000 1.326 281 Y HN 0.394 nan 8.280 nan 0.000 0.567 282 Q N 2.664 122.550 119.800 0.144 0.000 2.364 282 Q HA 0.073 4.413 4.340 0.000 0.000 0.267 282 Q C -2.425 173.616 176.000 0.068 0.000 0.999 282 Q CA -1.596 54.243 55.803 0.061 0.000 0.886 282 Q CB 0.748 29.493 28.738 0.012 0.000 1.243 282 Q HN 0.398 nan 8.270 nan 0.000 0.415 283 P HA -0.093 nan 4.420 nan 0.000 0.223 283 P C 0.741 178.061 177.300 0.034 0.000 1.144 283 P CA 1.640 64.764 63.100 0.040 0.000 0.783 283 P CB 0.066 31.783 31.700 0.028 0.000 0.771 284 T N -4.470 110.100 114.554 0.027 0.000 3.243 284 T HA 0.206 4.556 4.350 0.000 0.000 0.264 284 T C 1.292 176.006 174.700 0.024 0.000 1.000 284 T CA -0.363 61.752 62.100 0.025 0.000 0.901 284 T CB -1.012 67.868 68.868 0.020 0.000 1.083 284 T HN -0.031 nan 8.240 nan 0.000 0.559 285 L N 0.758 121.995 121.223 0.024 0.000 2.043 285 L HA -0.036 4.304 4.340 0.000 0.000 0.212 285 L C 2.733 179.623 176.870 0.032 0.000 1.075 285 L CA 1.879 56.724 54.840 0.009 0.000 0.752 285 L CB -0.603 41.452 42.059 -0.006 0.000 0.891 285 L HN 0.476 nan 8.230 nan 0.000 0.432 286 A N -0.477 122.373 122.820 0.050 0.000 1.841 286 A HA -0.222 4.098 4.320 0.000 0.000 0.214 286 A C 2.366 180.010 177.584 0.101 0.000 1.195 286 A CA 2.275 54.363 52.037 0.084 0.000 0.611 286 A CB -1.261 17.784 19.000 0.075 0.000 0.835 286 A HN 0.593 nan 8.150 nan 0.000 0.443 287 T N -2.028 112.574 114.554 0.080 0.000 2.821 287 T HA -0.137 4.213 4.350 0.000 0.000 0.267 287 T C 1.277 176.037 174.700 0.101 0.000 1.046 287 T CA 1.615 63.766 62.100 0.084 0.000 1.139 287 T CB -0.579 68.327 68.868 0.063 0.000 0.871 287 T HN 0.333 nan 8.240 nan 0.000 0.454 288 D N 0.705 121.165 120.400 0.100 0.000 2.182 288 D HA -0.015 4.625 4.640 0.000 0.000 0.201 288 D C 1.889 178.362 176.300 0.288 0.000 0.986 288 D CA 0.913 55.008 54.000 0.158 0.000 0.847 288 D CB -0.332 40.494 40.800 0.044 0.000 0.942 288 D HN 0.444 nan 8.370 nan 0.000 0.467 289 M N -0.279 119.440 119.600 0.198 0.000 2.248 289 M HA 0.050 4.530 4.480 0.000 0.000 0.265 289 M C 2.015 178.305 176.300 -0.017 0.000 1.079 289 M CA 1.438 56.825 55.300 0.145 0.000 1.150 289 M CB 0.065 32.694 32.600 0.048 0.000 1.366 289 M HN 0.026 nan 8.290 nan 0.000 0.433 290 G N 0.693 109.527 108.800 0.056 0.000 2.422 290 G HA2 -0.166 3.794 3.960 0.000 0.000 0.218 290 G HA3 -0.166 3.794 3.960 0.000 0.000 0.218 290 G C 1.253 176.187 174.900 0.056 0.000 1.146 290 G CA 0.537 45.695 45.100 0.097 0.000 0.769 290 G HN 0.450 nan 8.290 nan 0.000 0.547 291 L N -0.160 121.103 121.223 0.065 0.000 2.675 291 L HA 0.209 4.549 4.340 0.000 0.000 0.238 291 L C 1.997 178.869 176.870 0.005 0.000 1.155 291 L CA -0.077 54.796 54.840 0.056 0.000 0.881 291 L CB 0.162 42.275 42.059 0.089 0.000 1.008 291 L HN 0.257 nan 8.230 nan 0.000 0.443 292 L N -2.175 119.011 121.223 -0.061 0.000 2.713 292 L HA 0.147 4.487 4.340 0.000 0.000 0.223 292 L C 1.991 178.754 176.870 -0.178 0.000 1.040 292 L CA 0.945 55.673 54.840 -0.186 0.000 0.894 292 L CB 0.015 41.820 42.059 -0.423 0.000 1.361 292 L HN -0.069 nan 8.230 nan 0.000 0.490 293 Q N 0.074 119.769 119.800 -0.174 0.000 2.123 293 Q HA -0.055 4.285 4.340 0.000 0.000 0.199 293 Q C 1.857 177.829 176.000 -0.046 0.000 0.966 293 Q CA 1.438 57.140 55.803 -0.168 0.000 0.845 293 Q CB 0.084 28.601 28.738 -0.368 0.000 0.907 293 Q HN 0.409 nan 8.270 nan 0.000 0.439 294 E N -0.206 119.997 120.200 0.004 0.000 2.338 294 E HA -0.112 4.238 4.350 0.000 0.000 0.197 294 E C 1.698 178.305 176.600 0.011 0.000 1.007 294 E CA 0.603 57.029 56.400 0.044 0.000 0.849 294 E CB 0.095 29.837 29.700 0.071 0.000 0.774 294 E HN 0.361 nan 8.360 nan 0.000 0.506 295 R N 0.141 120.629 120.500 -0.020 0.000 2.127 295 R HA 0.137 4.477 4.340 0.000 0.000 0.217 295 R C 1.027 177.304 176.300 -0.039 0.000 1.074 295 R CA 0.309 56.394 56.100 -0.026 0.000 0.991 295 R CB 0.088 30.363 30.300 -0.042 0.000 0.895 295 R HN 0.069 nan 8.270 nan 0.000 0.450 296 I N 1.958 122.492 120.570 -0.060 0.000 2.293 296 I HA 0.053 4.224 4.170 0.000 0.000 0.299 296 I C 0.139 176.228 176.117 -0.046 0.000 1.153 296 I CA 0.295 61.553 61.300 -0.070 0.000 1.302 296 I CB 0.475 38.410 38.000 -0.108 0.000 1.460 296 I HN 0.007 nan 8.210 nan 0.000 0.552 297 T N 2.923 117.456 114.554 -0.034 0.000 2.700 297 T HA 0.276 4.626 4.350 0.000 0.000 0.307 297 T C -0.779 173.909 174.700 -0.021 0.000 1.580 297 T CA -0.401 61.685 62.100 -0.023 0.000 0.992 297 T CB 1.893 70.756 68.868 -0.008 0.000 1.577 297 T HN 0.298 nan 8.240 nan 0.000 0.496 298 T N 2.798 117.341 114.554 -0.019 0.000 2.753 298 T HA 0.568 4.919 4.350 0.000 0.000 0.297 298 T C 0.389 175.077 174.700 -0.020 0.000 0.981 298 T CA -0.376 61.715 62.100 -0.015 0.000 0.956 298 T CB 0.509 69.369 68.868 -0.013 0.000 0.936 298 T HN 0.825 nan 8.240 nan 0.000 0.463 299 T N 0.911 115.454 114.554 -0.017 0.000 2.897 299 T HA 0.424 4.774 4.350 0.000 0.000 0.278 299 T C 1.401 176.086 174.700 -0.025 0.000 0.981 299 T CA -0.938 61.147 62.100 -0.026 0.000 0.973 299 T CB 1.156 70.011 68.868 -0.021 0.000 1.092 299 T HN 0.395 nan 8.240 nan 0.000 0.543 300 K N 0.115 120.495 120.400 -0.032 0.000 2.152 300 K HA -0.098 4.222 4.320 0.000 0.000 0.206 300 K C 2.340 178.929 176.600 -0.019 0.000 1.048 300 K CA 0.966 57.236 56.287 -0.028 0.000 0.933 300 K CB -0.075 32.406 32.500 -0.033 0.000 0.721 300 K HN 0.392 nan 8.250 nan 0.000 0.447 301 K N 0.345 120.734 120.400 -0.019 0.000 1.977 301 K HA -0.101 4.219 4.320 0.000 0.000 0.218 301 K C 1.318 177.916 176.600 -0.004 0.000 1.051 301 K CA 1.558 57.835 56.287 -0.016 0.000 0.953 301 K CB -0.559 31.926 32.500 -0.024 0.000 0.727 301 K HN 0.295 nan 8.250 nan 0.000 0.445 302 G N -0.692 108.111 108.800 0.005 0.000 2.672 302 G HA2 0.331 4.291 3.960 0.000 0.000 0.292 302 G HA3 0.331 4.291 3.960 0.000 0.000 0.292 302 G C -1.423 173.491 174.900 0.025 0.000 1.375 302 G CA -0.441 44.674 45.100 0.025 0.000 0.890 302 G HN 0.082 nan 8.290 nan 0.000 0.476 303 S N -1.147 114.574 115.700 0.035 0.000 2.562 303 S HA 0.604 5.074 4.470 0.000 0.000 0.275 303 S C -0.380 174.243 174.600 0.038 0.000 1.281 303 S CA -0.425 57.792 58.200 0.029 0.000 1.045 303 S CB 0.998 64.215 63.200 0.030 0.000 0.962 303 S HN 0.662 nan 8.310 nan 0.000 0.503 304 V N 5.009 124.929 119.914 0.010 0.000 2.447 304 V HA 0.335 4.455 4.120 0.000 0.000 0.292 304 V C -0.211 175.850 176.094 -0.055 0.000 1.021 304 V CA -0.780 61.511 62.300 -0.015 0.000 0.850 304 V CB 1.654 33.463 31.823 -0.023 0.000 1.005 304 V HN 0.941 nan 8.190 nan 0.000 0.426 305 T N 3.666 118.169 114.554 -0.086 0.000 2.749 305 T HA 0.427 4.777 4.350 0.000 0.000 0.295 305 T C 0.236 174.779 174.700 -0.263 0.000 0.936 305 T CA -0.279 61.732 62.100 -0.148 0.000 1.060 305 T CB 0.864 69.648 68.868 -0.139 0.000 0.904 305 T HN 0.811 nan 8.240 nan 0.000 0.500 306 S N 2.027 117.572 115.700 -0.258 0.000 2.659 306 S HA 0.582 5.053 4.470 0.000 0.000 0.312 306 S C -0.619 173.769 174.600 -0.352 0.000 1.114 306 S CA -0.839 57.172 58.200 -0.316 0.000 1.063 306 S CB 1.005 64.075 63.200 -0.216 0.000 0.996 306 S HN 0.390 nan 8.310 nan 0.000 0.478 307 V N 4.370 123.999 119.914 -0.474 0.000 2.313 307 V HA 0.400 4.521 4.120 0.000 0.000 0.278 307 V C -0.203 175.743 176.094 -0.247 0.000 1.017 307 V CA -0.458 61.618 62.300 -0.374 0.000 0.823 307 V CB 0.806 32.408 31.823 -0.369 0.000 1.010 307 V HN 0.928 nan 8.190 nan 0.000 0.443 308 Q N 2.972 122.637 119.800 -0.226 0.000 2.274 308 Q HA 0.795 5.135 4.340 0.000 0.000 0.260 308 Q C -0.254 175.615 176.000 -0.218 0.000 0.974 308 Q CA -0.629 55.046 55.803 -0.214 0.000 0.876 308 Q CB 2.541 31.143 28.738 -0.227 0.000 1.297 308 Q HN 0.814 nan 8.270 nan 0.000 0.446 309 A N 2.004 124.716 122.820 -0.179 0.000 2.276 309 A HA 0.585 4.905 4.320 0.000 0.000 0.316 309 A C -0.630 176.825 177.584 -0.215 0.000 1.229 309 A CA -0.561 51.372 52.037 -0.173 0.000 0.851 309 A CB 0.722 19.685 19.000 -0.061 0.000 1.165 309 A HN 0.480 nan 8.150 nan 0.000 0.513 310 V N 3.443 123.127 119.914 -0.383 0.000 2.378 310 V HA 0.205 4.326 4.120 0.000 0.000 0.288 310 V C -0.554 175.433 176.094 -0.178 0.000 1.016 310 V CA -0.543 61.541 62.300 -0.360 0.000 0.840 310 V CB 0.807 32.068 31.823 -0.936 0.000 0.994 310 V HN 0.821 nan 8.190 nan 0.000 0.431 311 Y N 4.967 125.163 120.300 -0.173 0.000 2.359 311 Y HA 0.483 5.033 4.550 0.000 0.000 0.330 311 Y C -0.048 175.574 175.900 -0.464 0.000 1.143 311 Y CA 0.016 57.934 58.100 -0.303 0.000 1.318 311 Y CB 1.264 39.516 38.460 -0.346 0.000 1.234 311 Y HN 0.411 nan 8.280 nan 0.000 0.522 312 V N 8.963 128.351 119.914 -0.878 0.000 2.326 312 V HA 0.296 4.416 4.120 0.000 0.000 0.281 312 V C -2.302 173.371 176.094 -0.701 0.000 1.015 312 V CA -2.171 59.792 62.300 -0.562 0.000 0.823 312 V CB 1.063 32.742 31.823 -0.240 0.000 1.009 312 V HN 0.725 nan 8.190 nan 0.000 0.436 313 P HA 0.166 nan 4.420 nan 0.000 0.267 313 P C 0.587 177.866 177.300 -0.035 0.000 1.209 313 P CA 0.553 63.635 63.100 -0.030 0.000 0.763 313 P CB 0.724 32.519 31.700 0.158 0.000 0.816 314 A N 4.002 126.818 122.820 -0.006 0.000 2.771 314 A HA -0.264 4.056 4.320 0.000 0.000 0.294 314 A C 0.575 178.137 177.584 -0.036 0.000 1.500 314 A CA 1.178 53.215 52.037 0.000 0.000 0.829 314 A CB -2.690 16.332 19.000 0.037 0.000 0.998 314 A HN 0.679 nan 8.150 nan 0.000 0.526 315 D N -1.527 118.814 120.400 -0.099 0.000 2.701 315 D HA -0.142 4.498 4.640 0.000 0.000 0.235 315 D C -0.342 175.931 176.300 -0.046 0.000 1.155 315 D CA 1.946 55.894 54.000 -0.088 0.000 0.649 315 D CB -0.862 39.902 40.800 -0.059 0.000 1.050 315 D HN 0.825 nan 8.370 nan 0.000 0.425 316 D N -0.071 120.308 120.400 -0.035 0.000 2.454 316 D HA 0.261 4.901 4.640 0.000 0.000 0.225 316 D C 1.012 177.322 176.300 0.017 0.000 1.081 316 D CA -0.502 53.498 54.000 0.001 0.000 0.864 316 D CB 0.574 41.392 40.800 0.029 0.000 1.040 316 D HN 0.127 nan 8.370 nan 0.000 0.517 317 L N 2.438 123.668 121.223 0.011 0.000 2.551 317 L HA -0.017 4.323 4.340 0.000 0.000 0.228 317 L C 1.984 178.876 176.870 0.036 0.000 1.153 317 L CA 0.995 55.858 54.840 0.037 0.000 0.851 317 L CB -0.232 41.814 42.059 -0.021 0.000 0.959 317 L HN 0.477 nan 8.230 nan 0.000 0.451 318 T N -5.482 109.085 114.554 0.022 0.000 3.060 318 T HA -0.010 4.340 4.350 0.000 0.000 0.249 318 T C 0.576 175.303 174.700 0.045 0.000 1.079 318 T CA -0.438 61.673 62.100 0.019 0.000 1.013 318 T CB -0.255 68.615 68.868 0.004 0.000 0.975 318 T HN 0.132 nan 8.240 nan 0.000 0.518 319 D N 2.928 123.369 120.400 0.069 0.000 2.525 319 D HA 0.089 4.729 4.640 0.000 0.000 0.235 319 D C -1.377 174.935 176.300 0.020 0.000 1.137 319 D CA -1.408 52.644 54.000 0.087 0.000 0.868 319 D CB 1.063 41.948 40.800 0.141 0.000 1.180 319 D HN -0.007 nan 8.370 nan 0.000 0.465 320 P HA -0.229 nan 4.420 nan 0.000 0.217 320 P C 0.567 177.735 177.300 -0.220 0.000 1.148 320 P CA 1.728 64.709 63.100 -0.198 0.000 0.834 320 P CB 0.080 31.552 31.700 -0.380 0.000 0.783 321 A N 0.282 122.933 122.820 -0.281 0.000 1.826 321 A HA -0.070 4.250 4.320 0.000 0.000 0.214 321 A C -0.049 177.632 177.584 0.161 0.000 1.212 321 A CA 1.913 53.928 52.037 -0.037 0.000 0.605 321 A CB -2.114 17.051 19.000 0.274 0.000 0.861 321 A HN 0.193 nan 8.150 nan 0.000 0.447 322 P HA -0.125 nan 4.420 nan 0.000 0.217 322 P C 1.577 179.047 177.300 0.282 0.000 1.150 322 P CA 1.979 65.242 63.100 0.272 0.000 0.832 322 P CB -0.189 31.663 31.700 0.254 0.000 0.787 323 A N 0.118 123.113 122.820 0.291 0.000 1.908 323 A HA -0.163 4.157 4.320 0.000 0.000 0.218 323 A C 2.351 180.133 177.584 0.331 0.000 1.181 323 A CA 2.529 54.772 52.037 0.344 0.000 0.627 323 A CB -1.947 17.136 19.000 0.139 0.000 0.818 323 A HN 0.202 nan 8.150 nan 0.000 0.445 324 T N -0.240 114.443 114.554 0.216 0.000 2.951 324 T HA -0.070 4.280 4.350 0.000 0.000 0.268 324 T C 1.899 176.793 174.700 0.324 0.000 1.073 324 T CA 1.687 63.917 62.100 0.215 0.000 1.134 324 T CB -0.409 68.552 68.868 0.155 0.000 0.884 324 T HN 0.609 nan 8.240 nan 0.000 0.479 325 T N 1.783 116.508 114.554 0.285 0.000 2.821 325 T HA -0.019 4.332 4.350 0.000 0.000 0.267 325 T C 1.522 176.408 174.700 0.310 0.000 1.046 325 T CA 0.845 63.112 62.100 0.277 0.000 1.139 325 T CB -0.525 68.460 68.868 0.196 0.000 0.871 325 T HN 0.305 nan 8.240 nan 0.000 0.454 326 F N 2.130 122.232 119.950 0.253 0.000 2.065 326 F HA -0.110 4.417 4.527 0.000 0.000 0.298 326 F C 2.692 178.551 175.800 0.098 0.000 1.112 326 F CA 1.109 59.178 58.000 0.114 0.000 1.212 326 F CB -0.861 38.086 39.000 -0.089 0.000 0.975 326 F HN 0.140 nan 8.300 nan 0.000 0.476 327 A N -1.600 121.359 122.820 0.232 0.000 2.259 327 A HA -0.151 4.169 4.320 0.000 0.000 0.212 327 A C 1.662 179.199 177.584 -0.078 0.000 1.178 327 A CA 1.233 53.291 52.037 0.035 0.000 0.734 327 A CB -0.976 17.987 19.000 -0.062 0.000 0.774 327 A HN 0.532 nan 8.150 nan 0.000 0.481 328 H N -1.275 117.861 119.070 0.109 0.000 2.639 328 H HA 0.283 4.839 4.556 0.000 0.000 0.267 328 H C 0.154 175.516 175.328 0.057 0.000 0.958 328 H CA 0.134 56.224 56.048 0.070 0.000 1.221 328 H CB 0.256 30.050 29.762 0.054 0.000 1.446 328 H HN 0.359 nan 8.280 nan 0.000 0.512 329 L N 0.832 122.168 121.223 0.187 0.000 2.379 329 L HA 0.129 4.469 4.340 0.000 0.000 0.269 329 L C 1.004 177.938 176.870 0.107 0.000 1.084 329 L CA -0.379 54.539 54.840 0.129 0.000 0.802 329 L CB 1.125 43.273 42.059 0.149 0.000 1.175 329 L HN -0.096 nan 8.230 nan 0.000 0.448 330 D N 0.677 121.124 120.400 0.077 0.000 2.327 330 D HA 0.210 4.850 4.640 0.000 0.000 0.205 330 D C 0.140 176.500 176.300 0.101 0.000 0.989 330 D CA 0.546 54.590 54.000 0.074 0.000 0.873 330 D CB 0.757 41.587 40.800 0.050 0.000 0.955 330 D HN 0.517 nan 8.370 nan 0.000 0.515 331 A N 0.324 123.216 122.820 0.119 0.000 2.437 331 A HA 0.577 4.897 4.320 0.000 0.000 0.293 331 A C -0.563 177.148 177.584 0.211 0.000 1.038 331 A CA -0.650 51.496 52.037 0.183 0.000 0.708 331 A CB 1.282 20.441 19.000 0.266 0.000 1.251 331 A HN -0.023 nan 8.150 nan 0.000 0.409 332 T N -0.505 114.198 114.554 0.248 0.000 2.848 332 T HA 0.720 5.070 4.350 0.000 0.000 0.285 332 T C -0.382 174.481 174.700 0.272 0.000 0.995 332 T CA -0.256 62.022 62.100 0.297 0.000 0.970 332 T CB 1.306 70.387 68.868 0.356 0.000 0.976 332 T HN 1.218 nan 8.240 nan 0.000 0.441 333 T N 0.314 115.029 114.554 0.268 0.000 2.977 333 T HA 0.567 4.917 4.350 0.000 0.000 0.346 333 T C 0.539 175.295 174.700 0.093 0.000 1.140 333 T CA -0.756 61.440 62.100 0.160 0.000 1.040 333 T CB -0.039 68.921 68.868 0.153 0.000 1.046 333 T HN 1.009 nan 8.240 nan 0.000 0.494 334 V N 2.044 122.030 119.914 0.120 0.000 3.185 334 V HA 0.658 4.778 4.120 0.000 0.000 0.305 334 V C -0.175 175.925 176.094 0.010 0.000 1.090 334 V CA -0.812 61.559 62.300 0.117 0.000 1.107 334 V CB 0.340 32.225 31.823 0.103 0.000 1.061 334 V HN 0.821 nan 8.190 nan 0.000 0.480 335 L N 2.380 123.608 121.223 0.010 0.000 2.410 335 L HA 0.601 4.941 4.340 0.000 0.000 0.270 335 L C -0.166 176.694 176.870 -0.016 0.000 0.983 335 L CA -0.134 54.688 54.840 -0.030 0.000 0.822 335 L CB 2.002 44.026 42.059 -0.059 0.000 1.285 335 L HN 0.874 nan 8.230 nan 0.000 0.409 336 S N 1.653 117.340 115.700 -0.021 0.000 2.482 336 S HA 0.391 4.861 4.470 0.000 0.000 0.303 336 S C 0.737 175.321 174.600 -0.028 0.000 1.091 336 S CA -0.622 57.564 58.200 -0.022 0.000 1.057 336 S CB 1.868 65.057 63.200 -0.019 0.000 1.031 336 S HN 0.751 nan 8.310 nan 0.000 0.485 337 R N 3.100 123.585 120.500 -0.024 0.000 2.115 337 R HA -0.006 4.335 4.340 0.000 0.000 0.230 337 R C 2.004 178.293 176.300 -0.018 0.000 1.111 337 R CA 1.668 57.759 56.100 -0.016 0.000 0.976 337 R CB -0.949 29.346 30.300 -0.008 0.000 0.870 337 R HN 0.821 nan 8.270 nan 0.000 0.445 338 G N 1.085 109.874 108.800 -0.017 0.000 2.450 338 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 338 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 338 G C 1.368 176.259 174.900 -0.015 0.000 1.130 338 G CA 0.886 45.978 45.100 -0.012 0.000 0.760 338 G HN 0.325 nan 8.290 nan 0.000 0.557 339 I N 1.417 121.969 120.570 -0.030 0.000 2.852 339 I HA -0.061 4.109 4.170 0.000 0.000 0.264 339 I C 2.948 178.992 176.117 -0.122 0.000 1.179 339 I CA 1.082 62.355 61.300 -0.045 0.000 1.480 339 I CB -0.072 37.906 38.000 -0.037 0.000 1.111 339 I HN 0.288 nan 8.210 nan 0.000 0.441 340 S N 0.597 116.210 115.700 -0.145 0.000 2.406 340 S HA -0.100 4.370 4.470 0.000 0.000 0.228 340 S C 1.706 176.236 174.600 -0.117 0.000 1.020 340 S CA 0.673 58.714 58.200 -0.265 0.000 0.965 340 S CB -0.376 62.755 63.200 -0.114 0.000 0.798 340 S HN 0.454 nan 8.310 nan 0.000 0.488 341 E N 1.209 121.394 120.200 -0.025 0.000 2.204 341 E HA 0.017 4.367 4.350 0.000 0.000 0.194 341 E C 1.870 178.491 176.600 0.036 0.000 0.989 341 E CA 0.948 57.366 56.400 0.029 0.000 0.824 341 E CB -0.343 29.373 29.700 0.027 0.000 0.756 341 E HN 0.559 nan 8.360 nan 0.000 0.477 342 L N -0.750 120.479 121.223 0.011 0.000 2.240 342 L HA 0.016 4.356 4.340 0.000 0.000 0.211 342 L C 1.738 178.652 176.870 0.072 0.000 1.106 342 L CA 0.871 55.735 54.840 0.039 0.000 0.793 342 L CB -0.068 42.017 42.059 0.043 0.000 0.927 342 L HN 0.343 nan 8.230 nan 0.000 0.446 343 G N 0.032 108.855 108.800 0.038 0.000 2.184 343 G HA2 -0.222 3.738 3.960 0.000 0.000 0.206 343 G HA3 -0.222 3.738 3.960 0.000 0.000 0.206 343 G C 0.268 175.275 174.900 0.180 0.000 0.995 343 G CA -0.458 44.760 45.100 0.197 0.000 0.651 343 G HN 0.206 nan 8.290 nan 0.000 0.511 344 I N 2.028 122.586 120.570 -0.019 0.000 2.372 344 I HA 0.270 4.440 4.170 0.000 0.000 0.298 344 I C -0.090 175.919 176.117 -0.181 0.000 1.137 344 I CA -0.178 61.120 61.300 -0.003 0.000 1.314 344 I CB -0.255 37.759 38.000 0.023 0.000 1.444 344 I HN 0.071 nan 8.210 nan 0.000 0.541 345 Y N 7.880 128.233 120.300 0.087 0.000 2.331 345 Y HA 0.382 4.932 4.550 0.000 0.000 0.338 345 Y C -1.990 173.975 175.900 0.108 0.000 0.992 345 Y CA -2.779 55.406 58.100 0.142 0.000 1.121 345 Y CB 1.121 39.686 38.460 0.174 0.000 1.184 345 Y HN 0.387 nan 8.280 nan 0.000 0.469 346 P HA 0.165 nan 4.420 nan 0.000 0.277 346 P C -0.685 176.720 177.300 0.175 0.000 1.240 346 P CA -0.481 62.904 63.100 0.474 0.000 0.798 346 P CB 1.278 33.393 31.700 0.693 0.000 0.979 347 A N 3.075 125.932 122.820 0.062 0.000 3.063 347 A HA 0.312 4.632 4.320 0.000 0.000 0.263 347 A C 0.300 177.877 177.584 -0.012 0.000 1.736 347 A CA -0.283 51.724 52.037 -0.050 0.000 1.408 347 A CB -1.300 17.631 19.000 -0.115 0.000 1.108 347 A HN 0.342 nan 8.150 nan 0.000 0.621 348 V N 1.211 121.135 119.914 0.016 0.000 2.481 348 V HA 0.192 4.312 4.120 0.000 0.000 0.286 348 V C 0.109 176.209 176.094 0.010 0.000 1.042 348 V CA -0.785 61.516 62.300 0.000 0.000 0.928 348 V CB 1.657 33.494 31.823 0.024 0.000 0.986 348 V HN 0.631 nan 8.190 nan 0.000 0.462 349 D N 5.990 126.393 120.400 0.004 0.000 2.411 349 D HA 0.290 4.931 4.640 0.000 0.000 0.225 349 D C -1.770 174.536 176.300 0.010 0.000 1.156 349 D CA -1.977 52.028 54.000 0.008 0.000 0.874 349 D CB 2.048 42.847 40.800 -0.001 0.000 1.034 349 D HN 0.229 nan 8.370 nan 0.000 0.502 350 P HA -0.033 nan 4.420 nan 0.000 0.225 350 P C 1.100 178.398 177.300 -0.003 0.000 1.148 350 P CA 0.747 63.850 63.100 0.005 0.000 0.779 350 P CB 0.290 31.997 31.700 0.011 0.000 0.780 351 L N -1.598 119.623 121.223 -0.003 0.000 2.628 351 L HA 0.181 4.521 4.340 0.000 0.000 0.229 351 L C 1.432 178.286 176.870 -0.026 0.000 1.137 351 L CA 0.514 55.346 54.840 -0.014 0.000 0.909 351 L CB -0.034 42.018 42.059 -0.012 0.000 1.137 351 L HN -0.068 nan 8.230 nan 0.000 0.470 352 D N -1.211 119.176 120.400 -0.020 0.000 2.486 352 D HA 0.059 4.699 4.640 0.000 0.000 0.243 352 D C 0.208 176.507 176.300 -0.002 0.000 1.146 352 D CA 0.200 54.180 54.000 -0.034 0.000 0.821 352 D CB 0.842 41.615 40.800 -0.044 0.000 1.201 352 D HN -0.029 nan 8.370 nan 0.000 0.525 353 S N 1.852 117.565 115.700 0.022 0.000 2.405 353 S HA 0.256 4.726 4.470 0.000 0.000 0.291 353 S C 0.105 174.736 174.600 0.051 0.000 1.137 353 S CA -0.270 57.965 58.200 0.059 0.000 1.061 353 S CB 1.251 64.487 63.200 0.060 0.000 1.001 353 S HN 0.011 nan 8.310 nan 0.000 0.507 354 K N 1.717 122.160 120.400 0.072 0.000 2.208 354 K HA 0.634 4.954 4.320 0.000 0.000 0.247 354 K C -0.301 176.353 176.600 0.091 0.000 0.953 354 K CA -0.554 55.769 56.287 0.060 0.000 0.837 354 K CB 1.993 34.517 32.500 0.041 0.000 1.131 354 K HN 0.507 nan 8.250 nan 0.000 0.431 355 S N 0.791 116.534 115.700 0.072 0.000 2.546 355 S HA 0.321 4.791 4.470 0.000 0.000 0.272 355 S C 0.209 174.847 174.600 0.064 0.000 1.140 355 S CA -0.662 57.589 58.200 0.084 0.000 0.920 355 S CB 1.247 64.497 63.200 0.083 0.000 1.083 355 S HN 0.605 nan 8.310 nan 0.000 0.476 356 R N 2.686 123.226 120.500 0.066 0.000 2.285 356 R HA 0.202 4.542 4.340 0.000 0.000 0.213 356 R C 1.245 177.571 176.300 0.042 0.000 1.068 356 R CA 0.908 57.039 56.100 0.052 0.000 1.004 356 R CB -0.183 30.146 30.300 0.048 0.000 0.873 356 R HN 0.607 nan 8.270 nan 0.000 0.467 357 L N 0.174 121.420 121.223 0.038 0.000 2.591 357 L HA 0.039 4.379 4.340 0.000 0.000 0.228 357 L C 0.752 177.619 176.870 -0.006 0.000 1.133 357 L CA -0.096 54.752 54.840 0.014 0.000 0.880 357 L CB 0.115 42.180 42.059 0.010 0.000 1.033 357 L HN 0.146 nan 8.230 nan 0.000 0.450 358 L N 0.740 121.976 121.223 0.023 0.000 2.930 358 L HA 0.132 4.472 4.340 0.000 0.000 0.250 358 L C -0.050 176.934 176.870 0.190 0.000 1.320 358 L CA 0.418 55.284 54.840 0.043 0.000 1.163 358 L CB -0.761 41.316 42.059 0.030 0.000 1.542 358 L HN 0.020 nan 8.230 nan 0.000 0.428 359 D N -1.027 119.441 120.400 0.114 0.000 2.185 359 D HA 0.437 5.077 4.640 0.000 0.000 0.247 359 D C 1.116 177.426 176.300 0.017 0.000 1.027 359 D CA 0.278 54.327 54.000 0.083 0.000 0.861 359 D CB 2.070 42.877 40.800 0.011 0.000 1.202 359 D HN 0.124 nan 8.370 nan 0.000 0.453 360 A N 3.326 126.055 122.820 -0.151 0.000 1.892 360 A HA -0.113 4.207 4.320 0.000 0.000 0.218 360 A C 2.006 179.552 177.584 -0.062 0.000 1.188 360 A CA 2.201 54.156 52.037 -0.138 0.000 0.631 360 A CB -1.020 17.793 19.000 -0.313 0.000 0.822 360 A HN 0.668 nan 8.150 nan 0.000 0.447 361 A N -1.205 121.571 122.820 -0.072 0.000 2.178 361 A HA 0.175 4.496 4.320 0.000 0.000 0.218 361 A C 1.930 179.500 177.584 -0.024 0.000 1.157 361 A CA 1.758 53.769 52.037 -0.042 0.000 0.689 361 A CB -0.399 18.575 19.000 -0.042 0.000 0.787 361 A HN 0.396 nan 8.150 nan 0.000 0.465 362 V N -1.021 118.878 119.914 -0.025 0.000 2.735 362 V HA -0.064 4.056 4.120 0.000 0.000 0.234 362 V C 2.344 178.418 176.094 -0.034 0.000 1.121 362 V CA 1.190 63.476 62.300 -0.024 0.000 1.160 362 V CB -0.325 31.483 31.823 -0.025 0.000 0.908 362 V HN 0.419 nan 8.190 nan 0.000 0.495 363 V N -0.603 119.269 119.914 -0.071 0.000 3.217 363 V HA 0.553 4.673 4.120 0.000 0.000 0.264 363 V C 0.931 177.032 176.094 0.012 0.000 1.135 363 V CA 0.474 62.691 62.300 -0.139 0.000 1.142 363 V CB -1.133 30.373 31.823 -0.528 0.000 0.754 363 V HN 1.048 nan 8.190 nan 0.000 0.484 364 G N 0.342 109.165 108.800 0.039 0.000 2.907 364 G HA2 -0.172 3.788 3.960 0.000 0.000 0.686 364 G HA3 -0.172 3.788 3.960 0.000 0.000 0.686 364 G C -0.164 174.807 174.900 0.118 0.000 1.115 364 G CA 0.206 45.351 45.100 0.075 0.000 0.760 364 G HN 0.503 nan 8.290 nan 0.000 0.620 365 Q N 0.470 120.315 119.800 0.075 0.000 2.133 365 Q HA -0.172 4.168 4.340 0.000 0.000 0.208 365 Q C 2.250 178.344 176.000 0.157 0.000 0.991 365 Q CA 3.080 58.935 55.803 0.086 0.000 0.867 365 Q CB -0.190 28.571 28.738 0.039 0.000 0.911 365 Q HN 0.859 nan 8.270 nan 0.000 0.417 366 E N -1.325 118.955 120.200 0.135 0.000 2.023 366 E HA -0.296 4.054 4.350 0.000 0.000 0.196 366 E C 1.965 178.669 176.600 0.173 0.000 1.003 366 E CA 1.343 57.821 56.400 0.131 0.000 0.809 366 E CB -0.334 29.425 29.700 0.098 0.000 0.755 366 E HN 0.712 nan 8.360 nan 0.000 0.449 367 H N -1.281 117.841 119.070 0.087 0.000 2.289 367 H HA -0.253 4.304 4.556 0.000 0.000 0.296 367 H C 2.130 177.506 175.328 0.081 0.000 1.091 367 H CA 2.210 58.300 56.048 0.070 0.000 1.274 367 H CB -0.282 29.517 29.762 0.062 0.000 1.364 367 H HN 0.297 nan 8.280 nan 0.000 0.490 368 Y N 1.501 121.938 120.300 0.228 0.000 2.081 368 Y HA -0.298 4.252 4.550 0.000 0.000 0.280 368 Y C 2.206 178.163 175.900 0.095 0.000 1.163 368 Y CA 2.145 60.324 58.100 0.132 0.000 1.135 368 Y CB -0.372 38.124 38.460 0.060 0.000 0.970 368 Y HN 0.362 nan 8.280 nan 0.000 0.498 369 D N -0.716 119.853 120.400 0.281 0.000 2.178 369 D HA -0.165 4.475 4.640 0.000 0.000 0.201 369 D C 2.361 178.694 176.300 0.055 0.000 0.980 369 D CA 1.507 55.605 54.000 0.163 0.000 0.842 369 D CB -0.302 40.597 40.800 0.164 0.000 0.948 369 D HN 0.331 nan 8.370 nan 0.000 0.472 370 V N 1.416 121.360 119.914 0.050 0.000 2.307 370 V HA -0.192 3.928 4.120 0.000 0.000 0.245 370 V C 2.566 178.640 176.094 -0.034 0.000 1.045 370 V CA 1.697 64.005 62.300 0.014 0.000 1.024 370 V CB -0.716 31.101 31.823 -0.010 0.000 0.651 370 V HN 0.165 nan 8.190 nan 0.000 0.449 371 A N -0.254 122.525 122.820 -0.069 0.000 1.902 371 A HA -0.199 4.121 4.320 0.000 0.000 0.217 371 A C 2.489 179.994 177.584 -0.132 0.000 1.181 371 A CA 2.244 54.215 52.037 -0.110 0.000 0.623 371 A CB -0.721 18.237 19.000 -0.069 0.000 0.818 371 A HN 0.506 nan 8.150 nan 0.000 0.443 372 S N -0.110 115.474 115.700 -0.193 0.000 2.359 372 S HA -0.173 4.298 4.470 0.000 0.000 0.224 372 S C 1.967 176.526 174.600 -0.068 0.000 1.035 372 S CA 1.661 59.755 58.200 -0.178 0.000 1.018 372 S CB -0.279 62.794 63.200 -0.212 0.000 0.876 372 S HN 0.608 nan 8.310 nan 0.000 0.448 373 K N 0.630 121.013 120.400 -0.029 0.000 2.097 373 K HA -0.043 4.277 4.320 0.000 0.000 0.206 373 K C 2.057 178.666 176.600 0.015 0.000 1.049 373 K CA 1.042 57.332 56.287 0.005 0.000 0.933 373 K CB -0.374 32.141 32.500 0.025 0.000 0.717 373 K HN 0.176 nan 8.250 nan 0.000 0.442 374 V N 1.681 121.603 119.914 0.013 0.000 2.295 374 V HA -0.275 3.845 4.120 0.000 0.000 0.246 374 V C 2.265 178.371 176.094 0.019 0.000 1.049 374 V CA 1.715 64.038 62.300 0.038 0.000 1.024 374 V CB -0.448 31.387 31.823 0.019 0.000 0.648 374 V HN 0.365 nan 8.190 nan 0.000 0.447 375 Q N -0.457 119.333 119.800 -0.016 0.000 2.084 375 Q HA -0.244 4.096 4.340 0.000 0.000 0.202 375 Q C 2.314 178.316 176.000 0.002 0.000 0.978 375 Q CA 1.759 57.553 55.803 -0.015 0.000 0.844 375 Q CB -0.203 28.509 28.738 -0.044 0.000 0.898 375 Q HN 0.689 nan 8.270 nan 0.000 0.426 376 E N -0.195 120.004 120.200 -0.001 0.000 2.118 376 E HA -0.178 4.173 4.350 0.000 0.000 0.195 376 E C 1.991 178.606 176.600 0.026 0.000 0.992 376 E CA 1.601 58.007 56.400 0.010 0.000 0.804 376 E CB 0.012 29.717 29.700 0.009 0.000 0.741 376 E HN 0.361 nan 8.360 nan 0.000 0.458 377 T N 1.535 116.109 114.554 0.033 0.000 2.674 377 T HA -0.132 4.219 4.350 0.000 0.000 0.265 377 T C 2.022 176.767 174.700 0.075 0.000 1.039 377 T CA 0.910 63.038 62.100 0.045 0.000 1.150 377 T CB -0.296 68.596 68.868 0.040 0.000 0.864 377 T HN 0.088 nan 8.240 nan 0.000 0.427 378 L N 0.871 122.141 121.223 0.079 0.000 2.083 378 L HA -0.132 4.208 4.340 0.000 0.000 0.209 378 L C 2.883 179.820 176.870 0.111 0.000 1.083 378 L CA 1.134 56.048 54.840 0.124 0.000 0.752 378 L CB -0.552 41.565 42.059 0.098 0.000 0.899 378 L HN 0.221 nan 8.230 nan 0.000 0.433 379 Q N -0.064 119.770 119.800 0.058 0.000 2.170 379 Q HA -0.158 4.182 4.340 0.000 0.000 0.203 379 Q C 2.015 178.032 176.000 0.028 0.000 0.976 379 Q CA 2.181 58.001 55.803 0.027 0.000 0.858 379 Q CB -0.267 28.477 28.738 0.010 0.000 0.907 379 Q HN 0.391 nan 8.270 nan 0.000 0.433 380 T N -0.450 114.137 114.554 0.054 0.000 2.812 380 T HA -0.127 4.223 4.350 0.000 0.000 0.264 380 T C 1.210 175.961 174.700 0.085 0.000 1.042 380 T CA 1.215 63.348 62.100 0.055 0.000 1.140 380 T CB -0.534 68.369 68.868 0.058 0.000 0.870 380 T HN 0.449 nan 8.240 nan 0.000 0.445 381 Y N 2.120 122.418 120.300 -0.003 0.000 2.352 381 Y HA 0.058 4.608 4.550 0.000 0.000 0.292 381 Y C 2.276 178.174 175.900 -0.003 0.000 1.136 381 Y CA 0.958 59.057 58.100 -0.002 0.000 1.227 381 Y CB -0.173 38.287 38.460 -0.001 0.000 0.991 381 Y HN 0.033 nan 8.280 nan 0.000 0.545 382 K N -0.919 119.386 120.400 -0.158 0.000 2.103 382 K HA -0.119 4.201 4.320 0.000 0.000 0.204 382 K C 2.428 178.925 176.600 -0.172 0.000 1.052 382 K CA 1.150 57.298 56.287 -0.231 0.000 0.945 382 K CB -0.322 32.120 32.500 -0.096 0.000 0.722 382 K HN 0.231 nan 8.250 nan 0.000 0.443 383 S N 0.313 115.956 115.700 -0.095 0.000 2.474 383 S HA 0.035 4.505 4.470 0.000 0.000 0.235 383 S C 1.304 175.860 174.600 -0.073 0.000 0.997 383 S CA 0.579 58.739 58.200 -0.066 0.000 0.949 383 S CB 0.034 63.215 63.200 -0.031 0.000 0.766 383 S HN 0.328 nan 8.310 nan 0.000 0.517 384 L N 0.895 122.059 121.223 -0.099 0.000 2.857 384 L HA 0.304 4.644 4.340 0.000 0.000 0.249 384 L C 1.881 178.667 176.870 -0.139 0.000 1.172 384 L CA -0.086 54.707 54.840 -0.078 0.000 0.980 384 L CB -0.013 42.037 42.059 -0.014 0.000 1.299 384 L HN 0.229 nan 8.230 nan 0.000 0.535 385 Q N 1.107 120.767 119.800 -0.235 0.000 2.096 385 Q HA -0.223 4.117 4.340 0.000 0.000 0.204 385 Q C 1.507 177.428 176.000 -0.133 0.000 0.982 385 Q CA 2.107 57.747 55.803 -0.272 0.000 0.850 385 Q CB 0.150 28.716 28.738 -0.287 0.000 0.901 385 Q HN 0.391 nan 8.270 nan 0.000 0.422 386 D N -0.479 119.864 120.400 -0.095 0.000 2.162 386 D HA -0.082 4.559 4.640 0.000 0.000 0.203 386 D C 1.795 178.072 176.300 -0.038 0.000 0.967 386 D CA 0.695 54.660 54.000 -0.057 0.000 0.840 386 D CB -0.003 40.768 40.800 -0.048 0.000 0.972 386 D HN 0.288 nan 8.370 nan 0.000 0.482 387 I N 1.336 121.884 120.570 -0.037 0.000 2.142 387 I HA -0.190 3.980 4.170 0.000 0.000 0.240 387 I C 2.593 178.705 176.117 -0.009 0.000 1.078 387 I CA 0.835 62.124 61.300 -0.019 0.000 1.343 387 I CB -0.941 37.051 38.000 -0.014 0.000 1.046 387 I HN 0.004 nan 8.210 nan 0.000 0.405 388 I N 1.225 121.791 120.570 -0.007 0.000 2.286 388 I HA -0.227 3.943 4.170 0.000 0.000 0.248 388 I C 2.449 178.575 176.117 0.014 0.000 1.115 388 I CA 1.253 62.562 61.300 0.016 0.000 1.392 388 I CB -0.452 37.575 38.000 0.045 0.000 1.065 388 I HN 0.117 nan 8.210 nan 0.000 0.418 389 A N 0.259 123.079 122.820 -0.000 0.000 2.248 389 A HA -0.026 4.294 4.320 0.000 0.000 0.210 389 A C 1.874 179.459 177.584 0.002 0.000 1.174 389 A CA 1.020 53.058 52.037 0.002 0.000 0.750 389 A CB -0.343 18.651 19.000 -0.009 0.000 0.780 389 A HN 0.339 nan 8.150 nan 0.000 0.478 390 I N -1.860 118.711 120.570 0.001 0.000 3.809 390 I HA 0.091 4.261 4.170 0.000 0.000 0.245 390 I C 2.156 178.276 176.117 0.005 0.000 1.119 390 I CA 0.461 61.761 61.300 0.001 0.000 1.597 390 I CB -1.279 36.719 38.000 -0.003 0.000 1.605 390 I HN 0.194 nan 8.210 nan 0.000 0.441 391 L N 0.782 122.008 121.223 0.005 0.000 2.072 391 L HA 0.208 4.548 4.340 0.000 0.000 0.205 391 L C 1.057 177.934 176.870 0.011 0.000 1.079 391 L CA 1.022 55.866 54.840 0.007 0.000 0.752 391 L CB -0.676 41.387 42.059 0.006 0.000 0.906 391 L HN 0.550 nan 8.230 nan 0.000 0.436 392 G N -1.517 107.292 108.800 0.015 0.000 2.515 392 G HA2 -0.175 3.785 3.960 0.000 0.000 0.686 392 G HA3 -0.175 3.785 3.960 0.000 0.000 0.686 392 G C -0.013 174.902 174.900 0.025 0.000 1.274 392 G CA -0.281 44.831 45.100 0.020 0.000 0.874 392 G HN -0.045 nan 8.290 nan 0.000 0.631 393 M N 0.199 119.817 119.600 0.031 0.000 2.460 393 M HA -0.032 4.448 4.480 0.000 0.000 0.263 393 M C 1.743 178.057 176.300 0.024 0.000 1.071 393 M CA 1.484 56.804 55.300 0.034 0.000 1.096 393 M CB -0.343 32.280 32.600 0.037 0.000 1.408 393 M HN 0.585 nan 8.290 nan 0.000 0.463 394 D N 1.235 121.646 120.400 0.018 0.000 2.144 394 D HA -0.126 4.515 4.640 0.000 0.000 0.199 394 D C 1.907 178.214 176.300 0.012 0.000 0.984 394 D CA 1.736 55.744 54.000 0.013 0.000 0.834 394 D CB -0.065 40.741 40.800 0.011 0.000 0.955 394 D HN 0.558 nan 8.370 nan 0.000 0.465 395 E N 0.194 120.402 120.200 0.013 0.000 2.403 395 E HA 0.171 4.521 4.350 0.000 0.000 0.187 395 E C 0.619 177.226 176.600 0.012 0.000 1.073 395 E CA -0.094 56.313 56.400 0.010 0.000 0.888 395 E CB -0.536 29.169 29.700 0.009 0.000 1.035 395 E HN 0.057 nan 8.360 nan 0.000 0.471 396 L N 0.546 121.778 121.223 0.015 0.000 2.379 396 L HA 0.352 4.693 4.340 0.000 0.000 0.269 396 L C 0.965 177.843 176.870 0.014 0.000 1.084 396 L CA -0.300 54.550 54.840 0.017 0.000 0.802 396 L CB 1.997 44.071 42.059 0.026 0.000 1.175 396 L HN 0.152 nan 8.230 nan 0.000 0.448 397 S N 1.005 116.713 115.700 0.013 0.000 2.549 397 S HA 0.005 4.475 4.470 0.000 0.000 0.286 397 S C 1.208 175.815 174.600 0.010 0.000 1.314 397 S CA -0.379 57.827 58.200 0.010 0.000 1.062 397 S CB 0.346 63.552 63.200 0.010 0.000 0.865 397 S HN 0.619 nan 8.310 nan 0.000 0.498 398 E N 3.328 123.533 120.200 0.007 0.000 2.085 398 E HA -0.208 4.142 4.350 0.000 0.000 0.194 398 E C 1.899 178.502 176.600 0.005 0.000 0.994 398 E CA 1.338 57.741 56.400 0.006 0.000 0.801 398 E CB -0.343 29.360 29.700 0.004 0.000 0.743 398 E HN 0.884 nan 8.360 nan 0.000 0.453 399 Q N 0.517 120.320 119.800 0.006 0.000 2.061 399 Q HA -0.187 4.154 4.340 0.000 0.000 0.204 399 Q C 1.233 177.238 176.000 0.009 0.000 0.984 399 Q CA 1.879 57.686 55.803 0.006 0.000 0.846 399 Q CB 0.103 28.845 28.738 0.006 0.000 0.902 399 Q HN 0.137 nan 8.270 nan 0.000 0.421 400 D N -0.207 120.200 120.400 0.013 0.000 2.234 400 D HA -0.094 4.546 4.640 0.000 0.000 0.205 400 D C 1.468 177.781 176.300 0.023 0.000 0.962 400 D CA 0.765 54.777 54.000 0.020 0.000 0.855 400 D CB -0.092 40.722 40.800 0.024 0.000 0.951 400 D HN 0.194 nan 8.370 nan 0.000 0.500 401 K N 0.299 120.709 120.400 0.018 0.000 2.209 401 K HA -0.124 4.196 4.320 0.000 0.000 0.204 401 K C 1.882 178.485 176.600 0.004 0.000 1.048 401 K CA 0.527 56.823 56.287 0.016 0.000 0.940 401 K CB -0.046 32.462 32.500 0.012 0.000 0.729 401 K HN 0.058 nan 8.250 nan 0.000 0.451 402 L N 0.919 122.142 121.223 -0.000 0.000 2.056 402 L HA -0.117 4.223 4.340 0.000 0.000 0.207 402 L C 1.869 178.728 176.870 -0.019 0.000 1.078 402 L CA 1.933 56.766 54.840 -0.011 0.000 0.749 402 L CB -0.740 41.313 42.059 -0.009 0.000 0.901 402 L HN 0.125 nan 8.230 nan 0.000 0.433 403 T N -0.369 114.182 114.554 -0.005 0.000 2.684 403 T HA -0.189 4.161 4.350 0.000 0.000 0.267 403 T C 1.925 176.614 174.700 -0.018 0.000 1.036 403 T CA 2.099 64.197 62.100 -0.004 0.000 1.148 403 T CB -0.865 68.014 68.868 0.020 0.000 0.863 403 T HN 0.391 nan 8.240 nan 0.000 0.436 404 V N 0.816 120.731 119.914 0.001 0.000 2.515 404 V HA -0.086 4.035 4.120 0.000 0.000 0.250 404 V C 2.132 178.139 176.094 -0.145 0.000 1.058 404 V CA 1.429 63.713 62.300 -0.027 0.000 1.064 404 V CB -0.923 30.961 31.823 0.102 0.000 0.675 404 V HN 0.432 nan 8.190 nan 0.000 0.461 405 E N 0.507 120.652 120.200 -0.091 0.000 2.150 405 E HA -0.130 4.220 4.350 0.000 0.000 0.193 405 E C 2.443 178.955 176.600 -0.146 0.000 0.985 405 E CA 1.165 57.502 56.400 -0.105 0.000 0.814 405 E CB -0.148 29.517 29.700 -0.059 0.000 0.752 405 E HN 0.595 nan 8.360 nan 0.000 0.466 406 R N 0.221 120.639 120.500 -0.137 0.000 2.119 406 R HA 0.056 4.396 4.340 0.000 0.000 0.222 406 R C 2.308 178.487 176.300 -0.202 0.000 1.088 406 R CA 0.763 56.760 56.100 -0.172 0.000 0.984 406 R CB -0.067 30.162 30.300 -0.118 0.000 0.884 406 R HN 0.063 nan 8.270 nan 0.000 0.447 407 A N 1.353 124.060 122.820 -0.188 0.000 1.902 407 A HA -0.149 4.171 4.320 0.000 0.000 0.217 407 A C 1.963 179.361 177.584 -0.309 0.000 1.181 407 A CA 1.067 52.980 52.037 -0.206 0.000 0.623 407 A CB -0.346 18.538 19.000 -0.193 0.000 0.818 407 A HN 0.178 nan 8.150 nan 0.000 0.443 408 R N -0.488 119.756 120.500 -0.428 0.000 2.303 408 R HA -0.097 4.243 4.340 0.000 0.000 0.225 408 R C 1.744 177.921 176.300 -0.204 0.000 1.114 408 R CA 1.395 57.274 56.100 -0.369 0.000 1.007 408 R CB -0.126 29.981 30.300 -0.321 0.000 0.861 408 R HN 0.547 nan 8.270 nan 0.000 0.471 409 K N -0.110 120.139 120.400 -0.253 0.000 2.214 409 K HA 0.116 4.436 4.320 0.000 0.000 0.201 409 K C 1.977 178.417 176.600 -0.268 0.000 1.049 409 K CA 0.454 56.534 56.287 -0.345 0.000 0.978 409 K CB 0.175 32.239 32.500 -0.726 0.000 0.842 409 K HN 0.042 nan 8.250 nan 0.000 0.474 410 I N 1.730 122.176 120.570 -0.207 0.000 2.208 410 I HA -0.306 3.864 4.170 0.000 0.000 0.245 410 I C 2.646 178.851 176.117 0.145 0.000 1.097 410 I CA 1.373 62.681 61.300 0.012 0.000 1.363 410 I CB -0.219 37.830 38.000 0.082 0.000 1.051 410 I HN 0.277 nan 8.210 nan 0.000 0.413 411 Q N 0.999 120.835 119.800 0.060 0.000 2.291 411 Q HA -0.136 4.205 4.340 0.000 0.000 0.205 411 Q C 1.992 178.061 176.000 0.114 0.000 0.970 411 Q CA 1.107 56.964 55.803 0.090 0.000 0.876 411 Q CB 0.188 28.960 28.738 0.055 0.000 0.935 411 Q HN 0.498 nan 8.270 nan 0.000 0.455 412 R N -1.469 119.107 120.500 0.126 0.000 2.308 412 R HA 0.048 4.388 4.340 0.000 0.000 0.202 412 R C 1.187 177.622 176.300 0.225 0.000 0.898 412 R CA -0.045 56.169 56.100 0.190 0.000 1.046 412 R CB 0.250 30.697 30.300 0.245 0.000 1.026 412 R HN 0.128 nan 8.270 nan 0.000 0.512 413 F N 1.063 121.044 119.950 0.052 0.000 2.797 413 F HA 0.213 4.741 4.527 0.000 0.000 0.302 413 F C 1.299 177.187 175.800 0.147 0.000 1.130 413 F CA 0.227 58.256 58.000 0.048 0.000 1.387 413 F CB 0.200 39.135 39.000 -0.108 0.000 1.107 413 F HN -0.129 nan 8.300 nan 0.000 0.577 414 L N -0.980 120.323 121.223 0.133 0.000 2.341 414 L HA 0.036 4.376 4.340 0.000 0.000 0.214 414 L C 1.415 178.263 176.870 -0.038 0.000 1.115 414 L CA 0.265 55.148 54.840 0.072 0.000 0.820 414 L CB -0.546 41.580 42.059 0.111 0.000 0.944 414 L HN -0.039 nan 8.230 nan 0.000 0.452 415 S N 0.670 116.336 115.700 -0.057 0.000 2.537 415 S HA 0.042 4.512 4.470 0.000 0.000 0.286 415 S C -0.232 174.222 174.600 -0.243 0.000 1.299 415 S CA -0.020 58.093 58.200 -0.144 0.000 1.067 415 S CB 0.320 63.364 63.200 -0.259 0.000 0.864 415 S HN 0.312 nan 8.310 nan 0.000 0.494 416 Q N 4.898 124.510 119.800 -0.312 0.000 2.263 416 Q HA 0.431 4.771 4.340 0.000 0.000 0.262 416 Q C -2.898 172.667 176.000 -0.725 0.000 0.984 416 Q CA -2.075 53.457 55.803 -0.452 0.000 0.813 416 Q CB 1.782 30.269 28.738 -0.420 0.000 1.299 416 Q HN 0.365 nan 8.270 nan 0.000 0.428 417 P HA 0.130 nan 4.420 nan 0.000 0.269 417 P C -1.245 175.700 177.300 -0.591 0.000 1.215 417 P CA 0.262 63.089 63.100 -0.455 0.000 0.780 417 P CB 0.304 31.851 31.700 -0.255 0.000 0.898 418 F N 0.084 119.982 119.950 -0.086 0.000 2.495 418 F HA 0.481 5.008 4.527 0.000 0.000 0.327 418 F C 1.390 177.128 175.800 -0.103 0.000 1.103 418 F CA -0.769 57.180 58.000 -0.084 0.000 0.949 418 F CB 0.944 39.908 39.000 -0.060 0.000 1.142 418 F HN 0.295 nan 8.300 nan 0.000 0.457 419 A N 2.049 124.937 122.820 0.114 0.000 1.948 419 A HA -0.130 4.190 4.320 0.000 0.000 0.220 419 A C 1.949 179.536 177.584 0.004 0.000 1.177 419 A CA 2.374 54.426 52.037 0.026 0.000 0.636 419 A CB -0.878 18.133 19.000 0.019 0.000 0.815 419 A HN 0.594 nan 8.150 nan 0.000 0.449 420 V N -0.681 119.251 119.914 0.030 0.000 2.453 420 V HA -0.129 3.991 4.120 0.000 0.000 0.247 420 V C 2.830 178.903 176.094 -0.034 0.000 1.048 420 V CA 1.667 63.971 62.300 0.006 0.000 1.049 420 V CB -1.075 30.753 31.823 0.008 0.000 0.672 420 V HN 0.586 nan 8.190 nan 0.000 0.457 421 A N -0.376 122.398 122.820 -0.076 0.000 2.206 421 A HA -0.123 4.197 4.320 0.000 0.000 0.211 421 A C 2.159 179.317 177.584 -0.710 0.000 1.158 421 A CA 1.106 52.872 52.037 -0.450 0.000 0.761 421 A CB -0.495 18.351 19.000 -0.256 0.000 0.801 421 A HN 0.628 nan 8.150 nan 0.000 0.473 422 E N 0.309 120.313 120.200 -0.327 0.000 2.171 422 E HA -0.178 4.172 4.350 0.000 0.000 0.197 422 E C 1.628 178.073 176.600 -0.259 0.000 0.997 422 E CA 1.574 57.820 56.400 -0.258 0.000 0.810 422 E CB -0.236 29.385 29.700 -0.131 0.000 0.738 422 E HN 0.379 nan 8.360 nan 0.000 0.467 423 V N 0.627 120.409 119.914 -0.221 0.000 2.282 423 V HA -0.287 3.833 4.120 0.000 0.000 0.249 423 V C 2.114 178.205 176.094 -0.005 0.000 1.057 423 V CA 2.389 64.654 62.300 -0.059 0.000 1.032 423 V CB -0.810 31.058 31.823 0.076 0.000 0.645 423 V HN 0.515 nan 8.190 nan 0.000 0.447 424 F N -1.561 118.387 119.950 -0.003 0.000 2.717 424 F HA 0.279 4.806 4.527 0.000 0.000 0.297 424 F C 1.980 177.769 175.800 -0.018 0.000 1.113 424 F CA 0.578 58.572 58.000 -0.009 0.000 1.319 424 F CB -1.084 37.908 39.000 -0.014 0.000 1.097 424 F HN -0.105 nan 8.300 nan 0.000 0.595 425 T N -0.059 114.216 114.554 -0.465 0.000 2.814 425 T HA 0.322 4.672 4.350 0.000 0.000 0.254 425 T C 2.039 176.672 174.700 -0.111 0.000 1.037 425 T CA 1.700 63.649 62.100 -0.252 0.000 1.143 425 T CB -0.716 67.929 68.868 -0.371 0.000 0.866 425 T HN 0.610 nan 8.240 nan 0.000 0.431 426 G N 0.870 109.590 108.800 -0.133 0.000 2.397 426 G HA2 -0.187 3.773 3.960 0.000 0.000 0.211 426 G HA3 -0.187 3.773 3.960 0.000 0.000 0.211 426 G C 0.027 174.888 174.900 -0.065 0.000 1.077 426 G CA -0.320 44.741 45.100 -0.066 0.000 0.649 426 G HN 0.454 nan 8.290 nan 0.000 0.511 427 I N 4.433 124.959 120.570 -0.074 0.000 2.396 427 I HA 0.402 4.572 4.170 0.000 0.000 0.289 427 I C -1.780 174.282 176.117 -0.091 0.000 1.056 427 I CA -2.215 59.045 61.300 -0.066 0.000 1.365 427 I CB 0.940 38.905 38.000 -0.059 0.000 1.407 427 I HN -0.045 nan 8.210 nan 0.000 0.509 428 P HA 0.102 nan 4.420 nan 0.000 0.266 428 P C 0.164 177.413 177.300 -0.085 0.000 1.195 428 P CA -0.177 62.880 63.100 -0.071 0.000 0.768 428 P CB 0.476 32.145 31.700 -0.052 0.000 0.838 429 G N 2.448 111.202 108.800 -0.077 0.000 2.415 429 G HA2 0.383 4.344 3.960 0.000 0.000 0.269 429 G HA3 0.383 4.344 3.960 0.000 0.000 0.269 429 G C -0.703 174.151 174.900 -0.077 0.000 1.209 429 G CA -0.481 44.565 45.100 -0.090 0.000 0.835 429 G HN 0.340 nan 8.290 nan 0.000 0.534 430 K N 1.303 121.640 120.400 -0.106 0.000 2.324 430 K HA 0.382 4.703 4.320 0.000 0.000 0.253 430 K C -0.991 175.564 176.600 -0.076 0.000 0.932 430 K CA -0.704 55.536 56.287 -0.079 0.000 0.799 430 K CB 2.814 35.265 32.500 -0.082 0.000 1.154 430 K HN 0.367 nan 8.250 nan 0.000 0.425 431 L N 3.674 124.874 121.223 -0.040 0.000 2.275 431 L HA 0.382 4.723 4.340 0.000 0.000 0.288 431 L C -1.052 175.803 176.870 -0.025 0.000 1.046 431 L CA -0.831 53.995 54.840 -0.023 0.000 0.805 431 L CB 1.068 43.127 42.059 -0.001 0.000 1.193 431 L HN 0.316 nan 8.230 nan 0.000 0.426 432 V N 5.604 125.500 119.914 -0.029 0.000 2.435 432 V HA 0.478 4.598 4.120 0.000 0.000 0.290 432 V C 0.241 176.333 176.094 -0.003 0.000 1.030 432 V CA -0.751 61.537 62.300 -0.021 0.000 0.881 432 V CB 1.576 33.374 31.823 -0.041 0.000 0.983 432 V HN 0.771 nan 8.190 nan 0.000 0.445 433 R N 2.589 123.095 120.500 0.010 0.000 2.577 433 R HA 0.355 4.695 4.340 0.000 0.000 0.269 433 R C 1.202 177.516 176.300 0.023 0.000 1.084 433 R CA -0.622 55.489 56.100 0.018 0.000 1.163 433 R CB 0.940 31.254 30.300 0.023 0.000 1.100 433 R HN 0.664 nan 8.270 nan 0.000 0.547 434 L N 1.684 122.925 121.223 0.029 0.000 1.994 434 L HA -0.225 4.115 4.340 0.000 0.000 0.208 434 L C 2.034 178.924 176.870 0.034 0.000 1.071 434 L CA 1.706 56.568 54.840 0.035 0.000 0.745 434 L CB -0.097 42.001 42.059 0.065 0.000 0.892 434 L HN 0.490 nan 8.230 nan 0.000 0.431 435 K N -0.166 120.261 120.400 0.045 0.000 2.044 435 K HA -0.264 4.056 4.320 0.000 0.000 0.210 435 K C 1.855 178.486 176.600 0.052 0.000 1.049 435 K CA 1.979 58.294 56.287 0.047 0.000 0.927 435 K CB -0.727 31.800 32.500 0.046 0.000 0.713 435 K HN 0.407 nan 8.250 nan 0.000 0.443 436 D N 0.012 120.445 120.400 0.055 0.000 2.144 436 D HA -0.100 4.540 4.640 0.000 0.000 0.199 436 D C 1.450 177.818 176.300 0.114 0.000 0.984 436 D CA 1.472 55.516 54.000 0.074 0.000 0.834 436 D CB 0.111 40.947 40.800 0.061 0.000 0.955 436 D HN 0.159 nan 8.370 nan 0.000 0.465 437 T N -0.673 113.941 114.554 0.099 0.000 2.701 437 T HA -0.093 4.257 4.350 0.000 0.000 0.263 437 T C 2.149 176.963 174.700 0.190 0.000 1.040 437 T CA 1.250 63.446 62.100 0.160 0.000 1.147 437 T CB -0.466 68.429 68.868 0.044 0.000 0.865 437 T HN -0.015 nan 8.240 nan 0.000 0.426 438 V N 1.856 121.786 119.914 0.025 0.000 2.392 438 V HA -0.181 3.939 4.120 0.000 0.000 0.249 438 V C 2.860 179.004 176.094 0.083 0.000 1.059 438 V CA 1.709 63.980 62.300 -0.048 0.000 1.051 438 V CB -1.246 30.481 31.823 -0.159 0.000 0.658 438 V HN 0.540 nan 8.190 nan 0.000 0.455 439 A N -0.392 122.494 122.820 0.110 0.000 1.872 439 A HA -0.151 4.169 4.320 0.000 0.000 0.214 439 A C 2.482 180.174 177.584 0.181 0.000 1.187 439 A CA 1.854 53.965 52.037 0.123 0.000 0.614 439 A CB -0.741 18.319 19.000 0.099 0.000 0.826 439 A HN 0.482 nan 8.150 nan 0.000 0.442 440 S N -0.327 115.512 115.700 0.233 0.000 2.369 440 S HA -0.212 4.258 4.470 0.000 0.000 0.225 440 S C 1.637 176.380 174.600 0.238 0.000 1.043 440 S CA 1.977 60.329 58.200 0.253 0.000 1.074 440 S CB -0.636 62.791 63.200 0.377 0.000 0.962 440 S HN 0.520 nan 8.310 nan 0.000 0.433 441 F N 1.637 121.715 119.950 0.213 0.000 2.146 441 F HA -0.012 4.516 4.527 0.000 0.000 0.298 441 F C 2.352 178.209 175.800 0.095 0.000 1.096 441 F CA 1.158 59.261 58.000 0.172 0.000 1.275 441 F CB -0.416 38.660 39.000 0.126 0.000 1.008 441 F HN 0.111 nan 8.300 nan 0.000 0.480 442 K N 0.548 121.099 120.400 0.251 0.000 2.113 442 K HA -0.234 4.086 4.320 0.000 0.000 0.208 442 K C 2.209 178.873 176.600 0.108 0.000 1.047 442 K CA 1.366 57.739 56.287 0.143 0.000 0.928 442 K CB -0.305 32.258 32.500 0.106 0.000 0.716 442 K HN 0.231 nan 8.250 nan 0.000 0.446 443 A N 0.600 123.494 122.820 0.123 0.000 1.855 443 A HA -0.106 4.214 4.320 0.000 0.000 0.215 443 A C 2.246 179.875 177.584 0.075 0.000 1.191 443 A CA 1.667 53.760 52.037 0.093 0.000 0.613 443 A CB -0.722 18.386 19.000 0.180 0.000 0.829 443 A HN 0.166 nan 8.150 nan 0.000 0.442 444 V N 0.343 120.326 119.914 0.115 0.000 2.324 444 V HA -0.313 3.807 4.120 0.000 0.000 0.250 444 V C 2.587 178.684 176.094 0.005 0.000 1.060 444 V CA 2.148 64.479 62.300 0.050 0.000 1.042 444 V CB -0.917 30.841 31.823 -0.107 0.000 0.650 444 V HN 0.566 nan 8.190 nan 0.000 0.450 445 L N -0.370 120.874 121.223 0.035 0.000 2.046 445 L HA -0.200 4.140 4.340 0.000 0.000 0.208 445 L C 2.514 179.389 176.870 0.008 0.000 1.077 445 L CA 1.723 56.580 54.840 0.028 0.000 0.747 445 L CB -0.672 41.422 42.059 0.058 0.000 0.896 445 L HN 0.373 nan 8.230 nan 0.000 0.432 446 E N 0.073 120.277 120.200 0.006 0.000 2.338 446 E HA -0.047 4.303 4.350 0.000 0.000 0.197 446 E C 0.916 177.493 176.600 -0.038 0.000 1.007 446 E CA 0.503 56.895 56.400 -0.013 0.000 0.849 446 E CB -0.047 29.644 29.700 -0.016 0.000 0.774 446 E HN 0.561 nan 8.360 nan 0.000 0.506 447 G N 1.721 110.493 108.800 -0.048 0.000 2.520 447 G HA2 -0.208 3.752 3.960 0.000 0.000 0.264 447 G HA3 -0.208 3.752 3.960 0.000 0.000 0.264 447 G C 0.447 175.272 174.900 -0.125 0.000 1.140 447 G CA -0.048 45.014 45.100 -0.065 0.000 1.012 447 G HN 0.012 nan 8.290 nan 0.000 0.511 448 K N -0.719 119.552 120.400 -0.215 0.000 2.367 448 K HA 0.230 4.550 4.320 0.000 0.000 0.195 448 K C 0.538 176.718 176.600 -0.700 0.000 1.060 448 K CA 0.583 56.574 56.287 -0.494 0.000 1.022 448 K CB 0.566 32.650 32.500 -0.694 0.000 0.894 448 K HN 0.602 nan 8.250 nan 0.000 0.540 449 Y N 0.127 120.431 120.300 0.006 0.000 2.742 449 Y HA 0.181 4.731 4.550 0.000 0.000 0.248 449 Y C 0.503 176.442 175.900 0.066 0.000 1.132 449 Y CA -0.874 57.261 58.100 0.058 0.000 1.142 449 Y CB 0.496 39.049 38.460 0.156 0.000 1.222 449 Y HN -0.124 nan 8.280 nan 0.000 0.575 450 D N 0.676 121.124 120.400 0.081 0.000 2.218 450 D HA -0.143 4.497 4.640 0.000 0.000 0.204 450 D C 1.197 177.532 176.300 0.058 0.000 0.976 450 D CA 1.284 55.305 54.000 0.036 0.000 0.853 450 D CB -0.102 40.693 40.800 -0.009 0.000 0.939 450 D HN 0.413 nan 8.370 nan 0.000 0.481 451 N N 0.851 119.593 118.700 0.070 0.000 2.466 451 N HA -0.003 4.737 4.740 0.000 0.000 0.251 451 N C -0.368 175.199 175.510 0.095 0.000 1.164 451 N CA 0.056 53.143 53.050 0.062 0.000 0.888 451 N CB 0.057 38.564 38.487 0.034 0.000 1.177 451 N HN 0.181 nan 8.380 nan 0.000 0.498 452 I N 0.443 121.106 120.570 0.155 0.000 2.498 452 I HA 0.353 4.523 4.170 0.000 0.000 0.290 452 I C -2.316 173.925 176.117 0.208 0.000 1.032 452 I CA -2.348 59.053 61.300 0.167 0.000 1.073 452 I CB 2.259 40.369 38.000 0.184 0.000 1.251 452 I HN -0.227 nan 8.210 nan 0.000 0.426 453 P HA 0.033 nan 4.420 nan 0.000 0.269 453 P C 0.328 177.766 177.300 0.229 0.000 1.211 453 P CA 0.057 63.235 63.100 0.130 0.000 0.781 453 P CB 0.757 32.507 31.700 0.083 0.000 0.877 454 E N 0.051 120.362 120.200 0.186 0.000 2.046 454 E HA -0.215 4.135 4.350 0.000 0.000 0.190 454 E C 1.673 178.431 176.600 0.263 0.000 0.982 454 E CA 0.771 57.297 56.400 0.210 0.000 0.800 454 E CB -0.339 29.417 29.700 0.094 0.000 0.756 454 E HN 0.569 nan 8.360 nan 0.000 0.449 455 H N 0.137 119.274 119.070 0.112 0.000 2.560 455 H HA 0.024 4.580 4.556 0.000 0.000 0.283 455 H C 1.615 177.020 175.328 0.129 0.000 1.028 455 H CA 1.043 57.151 56.048 0.099 0.000 1.221 455 H CB 0.274 30.045 29.762 0.016 0.000 1.363 455 H HN 0.157 nan 8.280 nan 0.000 0.594 456 A N -0.187 122.731 122.820 0.165 0.000 1.970 456 A HA -0.044 4.276 4.320 0.000 0.000 0.216 456 A C 1.793 179.279 177.584 -0.164 0.000 1.170 456 A CA 0.475 52.485 52.037 -0.044 0.000 0.645 456 A CB -0.662 18.209 19.000 -0.216 0.000 0.816 456 A HN 0.279 nan 8.150 nan 0.000 0.447 457 F N -2.058 117.886 119.950 -0.011 0.000 2.710 457 F HA 0.146 4.673 4.527 0.000 0.000 0.298 457 F C 0.778 176.660 175.800 0.137 0.000 1.137 457 F CA -0.069 57.941 58.000 0.017 0.000 1.444 457 F CB -0.310 38.647 39.000 -0.072 0.000 1.111 457 F HN 0.303 nan 8.300 nan 0.000 0.580 458 Y N 1.221 121.568 120.300 0.079 0.000 2.393 458 Y HA 0.329 4.879 4.550 0.000 0.000 0.338 458 Y C 0.650 176.508 175.900 -0.069 0.000 1.029 458 Y CA -1.518 56.558 58.100 -0.039 0.000 1.239 458 Y CB 0.333 38.642 38.460 -0.252 0.000 1.170 458 Y HN 0.128 nan 8.280 nan 0.000 0.515 459 M N 5.264 124.514 119.600 -0.583 0.000 2.450 459 M HA -0.154 4.326 4.480 0.000 0.000 0.192 459 M C -1.742 174.434 176.300 -0.206 0.000 0.753 459 M CA 1.210 56.215 55.300 -0.491 0.000 0.532 459 M CB -1.408 30.838 32.600 -0.589 0.000 1.263 459 M HN 0.506 nan 8.290 nan 0.000 0.885 460 V N -2.337 117.493 119.914 -0.140 0.000 3.165 460 V HA 1.093 5.213 4.120 0.000 0.000 0.309 460 V C 0.837 176.875 176.094 -0.095 0.000 1.267 460 V CA -0.383 61.870 62.300 -0.078 0.000 1.067 460 V CB 1.222 33.038 31.823 -0.012 0.000 1.082 460 V HN 0.510 nan 8.190 nan 0.000 0.451 461 G N -0.118 108.645 108.800 -0.061 0.000 3.107 461 G HA2 0.517 4.477 3.960 0.000 0.000 0.155 461 G HA3 0.517 4.477 3.960 0.000 0.000 0.155 461 G C 0.577 175.461 174.900 -0.027 0.000 1.875 461 G CA 0.034 45.093 45.100 -0.068 0.000 1.004 461 G HN 1.448 nan 8.290 nan 0.000 0.480 462 G N -1.098 107.721 108.800 0.031 0.000 2.516 462 G HA2 0.314 4.274 3.960 0.000 0.000 0.276 462 G HA3 0.314 4.274 3.960 0.000 0.000 0.276 462 G C 0.969 176.036 174.900 0.278 0.000 1.390 462 G CA 0.096 45.278 45.100 0.137 0.000 1.050 462 G HN 0.421 nan 8.290 nan 0.000 0.519 463 I N -0.589 120.136 120.570 0.259 0.000 2.361 463 I HA -0.099 4.071 4.170 0.000 0.000 0.251 463 I C 2.415 178.422 176.117 -0.183 0.000 1.133 463 I CA 1.677 62.941 61.300 -0.060 0.000 1.413 463 I CB -0.239 37.695 38.000 -0.110 0.000 1.073 463 I HN 0.762 nan 8.210 nan 0.000 0.424 464 E N -0.392 119.769 120.200 -0.066 0.000 2.268 464 E HA -0.264 4.086 4.350 0.000 0.000 0.195 464 E C 1.513 178.056 176.600 -0.095 0.000 0.995 464 E CA 1.058 57.411 56.400 -0.077 0.000 0.836 464 E CB -0.114 29.571 29.700 -0.026 0.000 0.763 464 E HN 0.464 nan 8.360 nan 0.000 0.491 465 D N -0.587 119.769 120.400 -0.073 0.000 2.347 465 D HA -0.049 4.591 4.640 0.000 0.000 0.213 465 D C 1.637 177.857 176.300 -0.133 0.000 0.985 465 D CA 0.229 54.185 54.000 -0.073 0.000 0.879 465 D CB 0.515 41.295 40.800 -0.033 0.000 0.919 465 D HN 0.082 nan 8.370 nan 0.000 0.526 466 V N 0.471 120.239 119.914 -0.243 0.000 2.273 466 V HA -0.185 3.936 4.120 0.000 0.000 0.242 466 V C 2.816 178.683 176.094 -0.378 0.000 1.035 466 V CA 1.564 63.604 62.300 -0.433 0.000 1.013 466 V CB -0.764 30.534 31.823 -0.876 0.000 0.652 466 V HN 0.177 nan 8.190 nan 0.000 0.452 467 V N 0.047 119.750 119.914 -0.352 0.000 2.332 467 V HA -0.219 3.901 4.120 0.000 0.000 0.248 467 V C 2.557 178.567 176.094 -0.140 0.000 1.055 467 V CA 2.045 64.209 62.300 -0.227 0.000 1.038 467 V CB -1.737 29.991 31.823 -0.158 0.000 0.651 467 V HN 0.405 nan 8.190 nan 0.000 0.450 468 A N 0.447 123.195 122.820 -0.120 0.000 1.940 468 A HA -0.232 4.088 4.320 0.000 0.000 0.219 468 A C 2.431 179.973 177.584 -0.070 0.000 1.176 468 A CA 2.296 54.287 52.037 -0.077 0.000 0.631 468 A CB -0.594 18.368 19.000 -0.063 0.000 0.814 468 A HN 0.634 nan 8.150 nan 0.000 0.446 469 K N -0.597 119.751 120.400 -0.088 0.000 2.296 469 K HA 0.143 4.463 4.320 0.000 0.000 0.200 469 K C 1.934 178.498 176.600 -0.059 0.000 1.048 469 K CA 0.813 57.065 56.287 -0.058 0.000 0.966 469 K CB -0.200 32.269 32.500 -0.050 0.000 0.754 469 K HN 0.368 nan 8.250 nan 0.000 0.466 470 A N 1.187 123.946 122.820 -0.102 0.000 1.968 470 A HA -0.082 4.238 4.320 0.000 0.000 0.217 470 A C 1.703 179.256 177.584 -0.052 0.000 1.169 470 A CA 1.020 53.005 52.037 -0.087 0.000 0.638 470 A CB -0.166 18.755 19.000 -0.132 0.000 0.812 470 A HN 0.270 nan 8.150 nan 0.000 0.446 471 E N 0.462 120.632 120.200 -0.050 0.000 2.107 471 E HA -0.110 4.240 4.350 0.000 0.000 0.191 471 E C 1.740 178.325 176.600 -0.026 0.000 0.982 471 E CA 0.973 57.353 56.400 -0.033 0.000 0.809 471 E CB -0.255 29.426 29.700 -0.032 0.000 0.756 471 E HN 0.641 nan 8.360 nan 0.000 0.459 472 K N 0.425 120.810 120.400 -0.025 0.000 2.211 472 K HA 0.012 4.332 4.320 0.000 0.000 0.203 472 K C 2.015 178.606 176.600 -0.015 0.000 1.050 472 K CA 0.586 56.863 56.287 -0.017 0.000 0.945 472 K CB 0.090 32.583 32.500 -0.013 0.000 0.732 472 K HN 0.081 nan 8.250 nan 0.000 0.451 473 L N -0.241 120.972 121.223 -0.017 0.000 2.585 473 L HA 0.138 4.478 4.340 0.000 0.000 0.226 473 L C 2.093 178.951 176.870 -0.019 0.000 1.113 473 L CA -0.117 54.712 54.840 -0.018 0.000 0.876 473 L CB 0.056 42.109 42.059 -0.010 0.000 1.072 473 L HN 0.087 nan 8.230 nan 0.000 0.468 474 A N 0.493 123.302 122.820 -0.019 0.000 2.016 474 A HA 0.245 4.565 4.320 0.000 0.000 0.217 474 A C 1.509 179.084 177.584 -0.014 0.000 1.162 474 A CA 0.940 52.968 52.037 -0.016 0.000 0.662 474 A CB -0.206 18.785 19.000 -0.016 0.000 0.812 474 A HN 0.305 nan 8.150 nan 0.000 0.450 475 A N 0.000 122.811 122.820 -0.015 0.000 2.254 475 A HA 0.000 4.320 4.320 0.000 0.000 0.244 475 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 475 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486