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 1yov_1_D DATA FIRST_RESID 19 DATA SEQUENCE HVKKFLERSG PFTHPDFEPS TESLQFLLDT CKVLVIGAGG LGCELLKNLA DATA SEQUENCE LSGFRQIHVI DMDTIDVSNL NRQFLFRPKD IGRPKAEVAA EFLNDRVPNC DATA SEQUENCE NVVPHFNKIQ DFNDTFYRQF HIIVCGLDSI IARRWINGML ISLLNYEDGV DATA SEQUENCE LDPSSIVPLI DGGTEGFKGN ARVILPGMTA CIECTLELYP PQVNFPMCTI DATA SEQUENCE ASMPRLPEHC IEYVRMLQWP KEQPFGEGVP LDGDDPEHIQ WIFQKSLERA DATA SEQUENCE SQYNIRGVTY RLTQGVVKRI IPAVASTNAV IAAVCATEVF KIATSAYIPL DATA SEQUENCE NNYLVFNDVD GLYTYTFEAE RKENCPACSQ LPQNIQXXXX XXLQEVLDYL DATA SEQUENCE TNSASLQMKS PAITXXXXXX NRTLYLQSXT SIEXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXVADV TTPQTVLF 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 19 H HA 0.000 nan 4.556 nan 0.000 0.296 19 H C 0.000 175.495 175.328 0.278 0.000 0.993 19 H CA 0.000 56.168 56.048 0.200 0.000 1.023 19 H CB 0.000 29.803 29.762 0.069 0.000 1.292 20 V N 0.965 121.096 119.914 0.362 0.000 3.350 20 V HA 0.097 4.216 4.120 -0.000 0.000 0.246 20 V C 1.394 177.692 176.094 0.340 0.000 1.363 20 V CA 0.403 62.911 62.300 0.348 0.000 1.162 20 V CB 0.664 32.608 31.823 0.201 0.000 0.947 20 V HN 0.036 nan 8.190 nan 0.000 0.454 21 K N 1.001 121.520 120.400 0.198 0.000 2.668 21 K HA 0.077 4.397 4.320 -0.000 0.000 0.204 21 K C 1.116 177.752 176.600 0.060 0.000 1.016 21 K CA 0.449 56.801 56.287 0.109 0.000 1.131 21 K CB -0.026 32.508 32.500 0.055 0.000 0.891 21 K HN 0.457 nan 8.250 nan 0.000 0.499 22 K N -0.830 119.609 120.400 0.064 0.000 2.474 22 K HA 0.127 4.447 4.320 -0.000 0.000 0.202 22 K C 0.347 176.748 176.600 -0.331 0.000 1.248 22 K CA 0.126 56.275 56.287 -0.231 0.000 0.946 22 K CB 0.513 32.713 32.500 -0.500 0.000 1.102 22 K HN -0.003 nan 8.250 nan 0.000 0.541 23 F N 0.741 120.806 119.950 0.191 0.000 2.668 23 F HA 0.346 4.872 4.527 -0.000 0.000 0.297 23 F C 1.021 177.099 175.800 0.464 0.000 1.124 23 F CA -0.042 58.156 58.000 0.329 0.000 1.353 23 F CB 0.174 39.362 39.000 0.313 0.000 0.992 23 F HN -0.120 nan 8.300 nan 0.000 0.524 24 L N -1.579 119.888 121.223 0.407 0.000 2.249 24 L HA 0.107 4.446 4.340 -0.000 0.000 0.204 24 L C 1.839 178.755 176.870 0.077 0.000 1.135 24 L CA 0.092 55.059 54.840 0.213 0.000 1.070 24 L CB 0.035 42.159 42.059 0.108 0.000 2.194 24 L HN -0.238 nan 8.230 nan 0.000 0.504 25 E N 1.645 121.887 120.200 0.072 0.000 2.338 25 E HA -0.025 4.325 4.350 -0.000 0.000 0.197 25 E C 0.653 177.278 176.600 0.042 0.000 1.007 25 E CA 0.716 57.132 56.400 0.028 0.000 0.849 25 E CB 0.133 29.843 29.700 0.017 0.000 0.774 25 E HN 0.467 nan 8.360 nan 0.000 0.506 26 R N 0.275 120.826 120.500 0.084 0.000 2.867 26 R HA 0.537 4.876 4.340 -0.000 0.000 0.227 26 R C -0.075 176.349 176.300 0.206 0.000 1.372 26 R CA -0.390 55.755 56.100 0.075 0.000 1.083 26 R CB 1.168 31.464 30.300 -0.006 0.000 1.596 26 R HN 0.017 nan 8.270 nan 0.000 0.522 27 S N -1.105 114.669 115.700 0.123 0.000 2.581 27 S HA 0.498 4.968 4.470 -0.000 0.000 0.306 27 S C -0.816 173.761 174.600 -0.039 0.000 1.080 27 S CA -0.763 57.519 58.200 0.136 0.000 0.925 27 S CB 1.247 64.605 63.200 0.264 0.000 1.128 27 S HN 0.921 nan 8.310 nan 0.000 0.451 28 G N 1.615 110.313 108.800 -0.170 0.000 2.827 28 G HA2 0.857 4.816 3.960 -0.000 0.000 0.296 28 G HA3 0.857 4.816 3.960 -0.000 0.000 0.296 28 G C -3.316 171.409 174.900 -0.291 0.000 1.362 28 G CA -1.565 43.411 45.100 -0.207 0.000 0.809 28 G HN 0.618 nan 8.290 nan 0.000 0.522 29 P HA 0.235 nan 4.420 nan 0.000 0.273 29 P C 0.032 177.126 177.300 -0.343 0.000 1.252 29 P CA 0.243 63.102 63.100 -0.401 0.000 0.809 29 P CB 0.007 31.337 31.700 -0.617 0.000 1.017 30 F N -5.240 114.656 119.950 -0.091 0.000 2.871 30 F HA -0.282 4.245 4.527 -0.000 0.000 0.326 30 F C 1.001 176.670 175.800 -0.217 0.000 0.675 30 F CA 0.277 58.234 58.000 -0.072 0.000 1.188 30 F CB -2.044 36.964 39.000 0.013 0.000 1.567 30 F HN 0.318 nan 8.300 nan 0.000 0.325 31 T N -1.445 113.018 114.554 -0.152 0.000 2.810 31 T HA 0.406 4.755 4.350 -0.000 0.000 0.277 31 T C -0.354 174.298 174.700 -0.081 0.000 0.973 31 T CA -0.055 61.828 62.100 -0.363 0.000 0.949 31 T CB 1.027 69.596 68.868 -0.499 0.000 1.075 31 T HN 0.291 nan 8.240 nan 0.000 0.537 32 H N 0.509 119.509 119.070 -0.116 0.000 2.472 32 H HA 0.422 4.978 4.556 -0.000 0.000 0.338 32 H C -1.807 173.580 175.328 0.098 0.000 1.133 32 H CA -1.838 54.236 56.048 0.044 0.000 1.216 32 H CB 1.818 31.649 29.762 0.116 0.000 1.497 32 H HN 0.351 nan 8.280 nan 0.000 0.500 33 P HA -0.141 nan 4.420 nan 0.000 0.219 33 P C -0.325 176.974 177.300 -0.000 0.000 1.144 33 P CA 1.406 64.409 63.100 -0.162 0.000 0.806 33 P CB 0.304 31.847 31.700 -0.262 0.000 0.771 34 D N -2.190 118.289 120.400 0.131 0.000 2.559 34 D HA 0.106 4.746 4.640 -0.000 0.000 0.234 34 D C -0.048 176.396 176.300 0.241 0.000 1.226 34 D CA -0.330 53.785 54.000 0.191 0.000 0.830 34 D CB -0.296 40.640 40.800 0.227 0.000 1.028 34 D HN 0.137 nan 8.370 nan 0.000 0.492 35 F N 1.828 121.841 119.950 0.105 0.000 2.389 35 F HA 0.276 4.803 4.527 0.000 0.000 0.337 35 F C 0.011 175.847 175.800 0.060 0.000 1.112 35 F CA -0.287 57.764 58.000 0.086 0.000 1.192 35 F CB 0.928 39.958 39.000 0.050 0.000 1.185 35 F HN -0.275 nan 8.300 nan 0.000 0.552 36 E N 5.688 125.490 120.200 -0.664 0.000 2.316 36 E HA 0.300 4.649 4.350 -0.000 0.000 0.254 36 E C -2.660 173.713 176.600 -0.378 0.000 0.902 36 E CA -1.989 54.203 56.400 -0.346 0.000 0.801 36 E CB 1.382 30.993 29.700 -0.148 0.000 1.270 36 E HN 0.226 nan 8.360 nan 0.000 0.414 37 P HA 0.119 nan 4.420 nan 0.000 0.269 37 P C -1.119 176.135 177.300 -0.077 0.000 1.263 37 P CA 0.075 63.133 63.100 -0.070 0.000 0.813 37 P CB 0.595 32.310 31.700 0.025 0.000 0.868 38 S N 1.913 117.553 115.700 -0.099 0.000 2.652 38 S HA 0.116 4.586 4.470 -0.000 0.000 0.273 38 S C 0.896 175.460 174.600 -0.060 0.000 1.172 38 S CA -0.474 57.693 58.200 -0.054 0.000 1.009 38 S CB 0.870 64.056 63.200 -0.024 0.000 1.094 38 S HN 0.225 nan 8.310 nan 0.000 0.471 39 T N 1.621 116.154 114.554 -0.034 0.000 3.052 39 T HA -0.106 4.244 4.350 -0.000 0.000 0.270 39 T C 1.541 176.215 174.700 -0.043 0.000 1.147 39 T CA 1.221 63.300 62.100 -0.035 0.000 1.089 39 T CB -0.050 68.807 68.868 -0.017 0.000 0.875 39 T HN 0.685 nan 8.240 nan 0.000 0.541 40 E N 0.370 120.560 120.200 -0.017 0.000 2.230 40 E HA -0.030 4.320 4.350 -0.000 0.000 0.192 40 E C 2.162 178.732 176.600 -0.049 0.000 0.987 40 E CA 0.374 56.797 56.400 0.039 0.000 0.841 40 E CB 0.108 29.885 29.700 0.128 0.000 0.783 40 E HN 0.322 nan 8.360 nan 0.000 0.481 41 S N 1.161 116.728 115.700 -0.222 0.000 2.351 41 S HA -0.192 4.278 4.470 -0.000 0.000 0.220 41 S C 1.820 175.946 174.600 -0.790 0.000 1.035 41 S CA 1.108 58.792 58.200 -0.860 0.000 1.031 41 S CB -0.396 62.483 63.200 -0.535 0.000 0.928 41 S HN 0.297 nan 8.310 nan 0.000 0.433 42 L N 1.465 122.453 121.223 -0.391 0.000 2.351 42 L HA -0.161 4.179 4.340 -0.000 0.000 0.220 42 L C 2.056 178.768 176.870 -0.264 0.000 1.127 42 L CA 1.713 56.390 54.840 -0.272 0.000 0.786 42 L CB -0.501 41.488 42.059 -0.116 0.000 0.914 42 L HN 0.239 nan 8.230 nan 0.000 0.443 43 Q N -0.318 119.335 119.800 -0.246 0.000 2.159 43 Q HA -0.069 4.271 4.340 -0.000 0.000 0.194 43 Q C 1.622 177.555 176.000 -0.111 0.000 0.968 43 Q CA 1.522 57.249 55.803 -0.127 0.000 0.837 43 Q CB -0.479 28.243 28.738 -0.027 0.000 0.920 43 Q HN 0.571 nan 8.270 nan 0.000 0.485 44 F N 0.110 119.998 119.950 -0.103 0.000 2.707 44 F HA 0.202 4.728 4.527 -0.000 0.000 0.299 44 F C 0.762 176.475 175.800 -0.146 0.000 1.259 44 F CA -0.012 57.922 58.000 -0.111 0.000 1.437 44 F CB -0.382 38.551 39.000 -0.112 0.000 1.071 44 F HN 0.202 nan 8.300 nan 0.000 0.518 45 L N -0.009 121.018 121.223 -0.327 0.000 2.541 45 L HA 0.282 4.622 4.340 -0.000 0.000 0.187 45 L C 1.835 178.566 176.870 -0.232 0.000 1.098 45 L CA 0.873 55.476 54.840 -0.394 0.000 0.846 45 L CB -0.570 41.116 42.059 -0.621 0.000 1.151 45 L HN 0.157 nan 8.230 nan 0.000 0.492 46 L N 0.496 121.601 121.223 -0.197 0.000 2.043 46 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 46 L C 1.281 178.151 176.870 0.001 0.000 1.075 46 L CA 1.863 56.650 54.840 -0.089 0.000 0.752 46 L CB -0.559 41.461 42.059 -0.066 0.000 0.891 46 L HN 0.451 nan 8.230 nan 0.000 0.432 47 D N -3.185 117.224 120.400 0.015 0.000 2.502 47 D HA 0.040 4.680 4.640 -0.000 0.000 0.232 47 D C 1.650 177.995 176.300 0.075 0.000 1.137 47 D CA 0.411 54.443 54.000 0.052 0.000 0.827 47 D CB 0.635 41.461 40.800 0.042 0.000 1.141 47 D HN 0.173 nan 8.370 nan 0.000 0.517 48 T N 0.056 114.659 114.554 0.081 0.000 3.044 48 T HA 0.076 4.426 4.350 -0.000 0.000 0.250 48 T C 0.752 175.495 174.700 0.071 0.000 1.081 48 T CA 0.086 62.242 62.100 0.092 0.000 1.040 48 T CB 0.489 69.440 68.868 0.138 0.000 0.962 48 T HN 0.102 nan 8.240 nan 0.000 0.506 49 C N 3.522 122.893 119.300 0.119 0.000 2.264 49 C HA 0.491 4.951 4.460 -0.000 0.000 0.324 49 C C -0.253 174.944 174.990 0.346 0.000 1.267 49 C CA -1.160 57.986 59.018 0.213 0.000 1.618 49 C CB -0.645 27.239 27.740 0.240 0.000 2.278 49 C HN 0.300 nan 8.230 nan 0.000 0.499 50 K N 4.957 125.645 120.400 0.480 0.000 2.263 50 K HA 0.579 4.899 4.320 -0.000 0.000 0.272 50 K C -0.953 175.799 176.600 0.254 0.000 1.033 50 K CA -0.328 56.078 56.287 0.198 0.000 0.884 50 K CB 1.490 33.910 32.500 -0.134 0.000 1.107 50 K HN 0.489 nan 8.250 nan 0.000 0.460 51 V N 4.579 124.607 119.914 0.191 0.000 2.448 51 V HA 0.309 4.429 4.120 -0.000 0.000 0.295 51 V C -0.717 175.372 176.094 -0.009 0.000 1.025 51 V CA -1.044 61.290 62.300 0.057 0.000 0.859 51 V CB 1.518 33.246 31.823 -0.159 0.000 0.988 51 V HN 0.551 nan 8.190 nan 0.000 0.431 52 L N 6.415 127.480 121.223 -0.264 0.000 2.296 52 L HA 0.694 5.034 4.340 -0.000 0.000 0.286 52 L C -0.507 176.210 176.870 -0.255 0.000 1.023 52 L CA 0.085 54.608 54.840 -0.529 0.000 0.812 52 L CB 1.719 42.981 42.059 -1.329 0.000 1.223 52 L HN 0.440 nan 8.230 nan 0.000 0.421 53 V N 6.992 126.828 119.914 -0.130 0.000 2.357 53 V HA 0.405 4.525 4.120 -0.000 0.000 0.284 53 V C 0.201 176.271 176.094 -0.039 0.000 1.018 53 V CA -0.422 61.830 62.300 -0.080 0.000 0.841 53 V CB 1.285 33.080 31.823 -0.046 0.000 0.991 53 V HN 0.606 nan 8.190 nan 0.000 0.437 54 I N 4.968 125.512 120.570 -0.043 0.000 2.312 54 I HA 0.677 4.847 4.170 -0.000 0.000 0.291 54 I C 0.801 176.914 176.117 -0.006 0.000 1.031 54 I CA 0.214 61.511 61.300 -0.006 0.000 1.293 54 I CB 0.988 38.984 38.000 -0.007 0.000 1.403 54 I HN 0.858 nan 8.210 nan 0.000 0.484 55 G N 4.446 113.257 108.800 0.019 0.000 2.885 55 G HA2 0.168 4.128 3.960 -0.000 0.000 0.685 55 G HA3 0.168 4.128 3.960 -0.000 0.000 0.685 55 G C -0.425 174.491 174.900 0.026 0.000 1.216 55 G CA -0.295 44.815 45.100 0.016 0.000 0.790 55 G HN 0.895 nan 8.290 nan 0.000 0.631 56 A N 1.096 123.948 122.820 0.054 0.000 2.610 56 A HA 0.796 5.116 4.320 -0.000 0.000 0.291 56 A C 1.381 179.024 177.584 0.099 0.000 1.116 56 A CA 1.161 53.246 52.037 0.079 0.000 0.963 56 A CB -0.052 19.036 19.000 0.147 0.000 1.220 56 A HN 2.142 nan 8.150 nan 0.000 0.530 57 G N -0.316 108.511 108.800 0.044 0.000 2.735 57 G HA2 0.394 4.354 3.960 -0.000 0.000 0.192 57 G HA3 0.394 4.354 3.960 -0.000 0.000 0.192 57 G C 1.223 176.077 174.900 -0.076 0.000 1.547 57 G CA 0.379 45.500 45.100 0.036 0.000 1.080 57 G HN 0.525 nan 8.290 nan 0.000 0.569 58 G N -0.370 108.389 108.800 -0.067 0.000 2.480 58 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 58 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 58 G C 1.743 176.594 174.900 -0.083 0.000 1.200 58 G CA 1.262 46.306 45.100 -0.092 0.000 0.782 58 G HN 0.421 nan 8.290 nan 0.000 0.554 59 L N 1.655 122.839 121.223 -0.065 0.000 2.201 59 L HA 0.220 4.560 4.340 -0.000 0.000 0.212 59 L C 2.718 179.548 176.870 -0.067 0.000 1.105 59 L CA 1.951 56.754 54.840 -0.062 0.000 0.775 59 L CB -0.833 41.190 42.059 -0.061 0.000 0.913 59 L HN 0.179 nan 8.230 nan 0.000 0.440 60 G N -1.205 107.551 108.800 -0.074 0.000 2.414 60 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.215 60 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.215 60 G C 1.590 176.423 174.900 -0.112 0.000 1.188 60 G CA 0.922 45.978 45.100 -0.073 0.000 0.783 60 G HN 0.507 nan 8.290 nan 0.000 0.537 61 C N 0.194 119.367 119.300 -0.213 0.000 2.413 61 C HA -0.008 4.452 4.460 -0.000 0.000 0.276 61 C C 2.713 177.617 174.990 -0.144 0.000 1.248 61 C CA 1.138 59.932 59.018 -0.374 0.000 1.742 61 C CB -0.742 26.485 27.740 -0.856 0.000 2.017 61 C HN 0.576 nan 8.230 nan 0.000 0.481 62 E N 0.765 120.983 120.200 0.030 0.000 2.077 62 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 62 E C 2.005 178.624 176.600 0.031 0.000 0.989 62 E CA 1.050 57.540 56.400 0.149 0.000 0.800 62 E CB -0.337 29.407 29.700 0.073 0.000 0.746 62 E HN 0.585 nan 8.360 nan 0.000 0.452 63 L N -0.288 120.921 121.223 -0.024 0.000 1.994 63 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 63 L C 2.429 179.280 176.870 -0.032 0.000 1.071 63 L CA 0.977 55.790 54.840 -0.045 0.000 0.745 63 L CB -0.408 41.611 42.059 -0.066 0.000 0.892 63 L HN 0.214 nan 8.230 nan 0.000 0.431 64 L N -0.153 121.051 121.223 -0.032 0.000 1.990 64 L HA -0.306 4.034 4.340 -0.000 0.000 0.213 64 L C 2.734 179.616 176.870 0.019 0.000 1.072 64 L CA 1.650 56.482 54.840 -0.015 0.000 0.755 64 L CB -0.614 41.425 42.059 -0.033 0.000 0.889 64 L HN 0.295 nan 8.230 nan 0.000 0.432 65 K N 0.259 120.682 120.400 0.038 0.000 2.001 65 K HA -0.245 4.075 4.320 -0.000 0.000 0.214 65 K C 1.973 178.600 176.600 0.044 0.000 1.050 65 K CA 2.084 58.415 56.287 0.073 0.000 0.934 65 K CB -0.135 32.465 32.500 0.167 0.000 0.718 65 K HN 0.266 nan 8.250 nan 0.000 0.443 66 N N 1.017 119.728 118.700 0.020 0.000 2.094 66 N HA -0.189 4.550 4.740 -0.000 0.000 0.191 66 N C 1.933 177.477 175.510 0.058 0.000 1.023 66 N CA 1.444 54.496 53.050 0.004 0.000 0.857 66 N CB -0.355 38.114 38.487 -0.029 0.000 1.013 66 N HN 0.274 nan 8.380 nan 0.000 0.426 67 L N 0.383 121.643 121.223 0.063 0.000 2.109 67 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 67 L C 2.434 179.463 176.870 0.265 0.000 1.086 67 L CA 0.799 55.733 54.840 0.156 0.000 0.760 67 L CB -0.466 41.560 42.059 -0.056 0.000 0.910 67 L HN 0.099 nan 8.230 nan 0.000 0.437 68 A N 0.600 123.512 122.820 0.153 0.000 1.865 68 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 68 A C 2.130 179.789 177.584 0.124 0.000 1.191 68 A CA 1.491 53.615 52.037 0.144 0.000 0.623 68 A CB -0.815 18.246 19.000 0.101 0.000 0.826 68 A HN 0.384 nan 8.150 nan 0.000 0.444 69 L N 0.072 121.346 121.223 0.084 0.000 2.551 69 L HA -0.027 4.313 4.340 -0.000 0.000 0.228 69 L C 1.795 178.690 176.870 0.042 0.000 1.153 69 L CA 0.671 55.535 54.840 0.039 0.000 0.851 69 L CB -0.166 41.888 42.059 -0.008 0.000 0.959 69 L HN 0.255 nan 8.230 nan 0.000 0.451 70 S N -0.423 115.351 115.700 0.123 0.000 2.575 70 S HA 0.222 4.692 4.470 -0.000 0.000 0.215 70 S C 1.535 176.203 174.600 0.113 0.000 0.966 70 S CA 0.676 58.964 58.200 0.148 0.000 0.911 70 S CB 0.641 64.043 63.200 0.336 0.000 0.780 70 S HN 0.654 nan 8.310 nan 0.000 0.514 71 G N 0.946 109.791 108.800 0.074 0.000 2.218 71 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 71 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 71 G C -0.001 174.842 174.900 -0.095 0.000 0.994 71 G CA -0.691 44.386 45.100 -0.038 0.000 0.637 71 G HN 0.420 nan 8.290 nan 0.000 0.505 72 F N 1.164 121.151 119.950 0.062 0.000 2.484 72 F HA 0.555 5.082 4.527 -0.000 0.000 0.360 72 F C 1.847 177.680 175.800 0.054 0.000 1.101 72 F CA 0.266 58.295 58.000 0.049 0.000 1.251 72 F CB 0.804 39.839 39.000 0.057 0.000 1.132 72 F HN -0.040 nan 8.300 nan 0.000 0.570 73 R N 0.134 120.763 120.500 0.215 0.000 2.225 73 R HA 0.102 4.442 4.340 -0.000 0.000 0.194 73 R C -0.019 176.385 176.300 0.173 0.000 0.949 73 R CA 0.077 56.270 56.100 0.155 0.000 1.088 73 R CB 0.215 30.572 30.300 0.096 0.000 1.106 73 R HN 0.439 nan 8.270 nan 0.000 0.566 74 Q N 1.520 121.439 119.800 0.199 0.000 2.571 74 Q HA 0.356 4.696 4.340 -0.000 0.000 0.222 74 Q C -0.890 175.250 176.000 0.234 0.000 1.167 74 Q CA 0.243 56.169 55.803 0.206 0.000 0.966 74 Q CB 0.804 29.637 28.738 0.159 0.000 1.274 74 Q HN 0.272 nan 8.270 nan 0.000 0.552 75 I N 1.336 122.067 120.570 0.267 0.000 2.465 75 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 75 I C 0.069 176.427 176.117 0.402 0.000 1.014 75 I CA -0.704 60.745 61.300 0.247 0.000 1.093 75 I CB 1.730 39.812 38.000 0.137 0.000 1.267 75 I HN 0.350 nan 8.210 nan 0.000 0.431 76 H N 4.289 123.448 119.070 0.148 0.000 2.529 76 H HA 0.709 5.265 4.556 -0.000 0.000 0.348 76 H C -1.061 174.326 175.328 0.098 0.000 1.152 76 H CA -1.145 55.006 56.048 0.172 0.000 1.202 76 H CB 2.840 32.833 29.762 0.384 0.000 1.562 76 H HN 0.230 nan 8.280 nan 0.000 0.515 77 V N 4.021 124.068 119.914 0.222 0.000 2.656 77 V HA 0.347 4.466 4.120 -0.000 0.000 0.307 77 V C -0.162 176.059 176.094 0.212 0.000 1.051 77 V CA -0.663 61.727 62.300 0.150 0.000 0.893 77 V CB 2.021 33.899 31.823 0.092 0.000 0.999 77 V HN 0.574 nan 8.190 nan 0.000 0.426 78 I N 3.581 124.253 120.570 0.171 0.000 2.433 78 I HA 0.652 4.821 4.170 -0.000 0.000 0.292 78 I C -1.051 175.152 176.117 0.143 0.000 1.001 78 I CA -0.142 61.276 61.300 0.196 0.000 1.119 78 I CB 1.982 40.078 38.000 0.160 0.000 1.289 78 I HN 0.645 nan 8.210 nan 0.000 0.438 79 D N 5.302 125.800 120.400 0.163 0.000 2.812 79 D HA 0.147 4.787 4.640 -0.000 0.000 0.210 79 D C -0.554 175.836 176.300 0.149 0.000 1.260 79 D CA -0.425 53.651 54.000 0.127 0.000 0.817 79 D CB 2.102 42.982 40.800 0.132 0.000 1.694 79 D HN 0.435 nan 8.370 nan 0.000 0.530 80 M N 1.987 121.612 119.600 0.042 0.000 2.428 80 M HA 0.189 4.669 4.480 -0.000 0.000 0.239 80 M C -0.447 175.890 176.300 0.062 0.000 1.121 80 M CA 0.221 55.468 55.300 -0.089 0.000 1.019 80 M CB 0.235 32.719 32.600 -0.194 0.000 1.485 80 M HN 0.193 nan 8.290 nan 0.000 0.484 81 D N 0.727 121.210 120.400 0.139 0.000 2.348 81 D HA 0.304 4.944 4.640 -0.000 0.000 0.249 81 D C 0.099 176.495 176.300 0.160 0.000 1.110 81 D CA 0.151 54.228 54.000 0.129 0.000 0.967 81 D CB 1.023 41.860 40.800 0.062 0.000 1.139 81 D HN 0.233 nan 8.370 nan 0.000 0.466 82 T N -2.330 112.267 114.554 0.071 0.000 2.952 82 T HA 0.601 4.951 4.350 -0.000 0.000 0.286 82 T C 0.650 175.287 174.700 -0.105 0.000 1.024 82 T CA -0.868 61.212 62.100 -0.033 0.000 1.029 82 T CB 0.917 69.780 68.868 -0.009 0.000 1.094 82 T HN 0.204 nan 8.240 nan 0.000 0.515 83 I N 1.685 122.130 120.570 -0.209 0.000 2.529 83 I HA 0.407 4.577 4.170 -0.000 0.000 0.284 83 I C 0.166 176.227 176.117 -0.092 0.000 1.082 83 I CA 0.001 61.166 61.300 -0.225 0.000 1.406 83 I CB 0.798 38.553 38.000 -0.408 0.000 1.405 83 I HN 0.799 nan 8.210 nan 0.000 0.548 84 D N 3.412 123.794 120.400 -0.030 0.000 2.559 84 D HA 0.310 4.949 4.640 -0.000 0.000 0.250 84 D C 0.452 176.768 176.300 0.027 0.000 1.135 84 D CA -0.637 53.361 54.000 -0.002 0.000 0.955 84 D CB 2.002 42.804 40.800 0.003 0.000 1.442 84 D HN 0.151 nan 8.370 nan 0.000 0.471 85 V N 0.656 120.584 119.914 0.023 0.000 2.343 85 V HA -0.129 3.990 4.120 -0.000 0.000 0.247 85 V C 1.973 178.088 176.094 0.034 0.000 1.051 85 V CA 1.897 64.216 62.300 0.032 0.000 1.036 85 V CB -0.569 31.269 31.823 0.025 0.000 0.654 85 V HN 0.603 nan 8.190 nan 0.000 0.451 86 S N 0.166 115.881 115.700 0.025 0.000 2.584 86 S HA -0.100 4.370 4.470 -0.000 0.000 0.240 86 S C 1.472 176.087 174.600 0.026 0.000 0.975 86 S CA 0.983 59.193 58.200 0.017 0.000 0.949 86 S CB -0.638 62.564 63.200 0.004 0.000 0.761 86 S HN 0.736 nan 8.310 nan 0.000 0.536 87 N N 0.270 119.001 118.700 0.052 0.000 2.348 87 N HA 0.224 4.964 4.740 -0.000 0.000 0.183 87 N C 1.034 176.589 175.510 0.075 0.000 1.094 87 N CA 0.095 53.193 53.050 0.080 0.000 0.885 87 N CB 0.117 38.701 38.487 0.162 0.000 1.065 87 N HN 0.277 nan 8.380 nan 0.000 0.472 88 L N 1.534 122.804 121.223 0.077 0.000 2.549 88 L HA -0.068 4.271 4.340 -0.000 0.000 0.229 88 L C 1.553 178.446 176.870 0.039 0.000 1.158 88 L CA 0.747 55.628 54.840 0.068 0.000 0.842 88 L CB -0.689 41.413 42.059 0.072 0.000 0.952 88 L HN 0.349 nan 8.230 nan 0.000 0.452 89 N N 0.744 119.459 118.700 0.025 0.000 2.376 89 N HA -0.153 4.587 4.740 -0.000 0.000 0.177 89 N C 1.778 177.291 175.510 0.006 0.000 1.024 89 N CA 0.663 53.721 53.050 0.014 0.000 0.893 89 N CB -0.076 38.414 38.487 0.004 0.000 0.980 89 N HN 0.380 nan 8.380 nan 0.000 0.439 90 R N -0.991 119.507 120.500 -0.004 0.000 2.276 90 R HA 0.219 4.559 4.340 -0.000 0.000 0.195 90 R C 0.036 176.333 176.300 -0.005 0.000 0.908 90 R CA -0.150 55.945 56.100 -0.008 0.000 1.083 90 R CB -0.183 30.099 30.300 -0.031 0.000 1.182 90 R HN 0.122 nan 8.270 nan 0.000 0.608 91 Q N 2.000 121.743 119.800 -0.095 0.000 2.344 91 Q HA 0.137 4.477 4.340 -0.000 0.000 0.253 91 Q C -0.292 175.501 176.000 -0.345 0.000 1.050 91 Q CA -0.367 55.232 55.803 -0.341 0.000 0.912 91 Q CB 0.664 29.096 28.738 -0.510 0.000 1.258 91 Q HN 0.423 nan 8.270 nan 0.000 0.443 92 F N 0.616 120.358 119.950 -0.345 0.000 2.797 92 F HA 0.187 4.714 4.527 -0.000 0.000 0.302 92 F C 0.525 176.087 175.800 -0.396 0.000 1.130 92 F CA 0.095 57.926 58.000 -0.281 0.000 1.387 92 F CB 0.073 38.930 39.000 -0.237 0.000 1.107 92 F HN 0.343 nan 8.300 nan 0.000 0.577 93 L N -0.421 120.128 121.223 -1.125 0.000 2.585 93 L HA 0.275 4.615 4.340 -0.000 0.000 0.226 93 L C -0.254 176.556 176.870 -0.101 0.000 1.113 93 L CA 0.043 54.277 54.840 -1.010 0.000 0.876 93 L CB -0.101 41.243 42.059 -1.192 0.000 1.072 93 L HN 0.064 nan 8.230 nan 0.000 0.468 94 F N 0.480 120.353 119.950 -0.128 0.000 2.444 94 F HA 0.465 4.992 4.527 -0.000 0.000 0.342 94 F C 0.671 176.489 175.800 0.031 0.000 1.121 94 F CA -1.124 56.864 58.000 -0.021 0.000 0.997 94 F CB 1.210 40.175 39.000 -0.060 0.000 1.130 94 F HN -0.116 nan 8.300 nan 0.000 0.454 95 R N 2.942 123.592 120.500 0.251 0.000 2.719 95 R HA 0.369 4.709 4.340 -0.000 0.000 0.233 95 R C -1.936 174.421 176.300 0.096 0.000 1.257 95 R CA -1.663 54.529 56.100 0.152 0.000 1.109 95 R CB 0.037 30.414 30.300 0.128 0.000 1.447 95 R HN 0.241 nan 8.270 nan 0.000 0.537 96 P HA -0.148 nan 4.420 nan 0.000 0.217 96 P C 0.476 177.785 177.300 0.015 0.000 1.151 96 P CA 1.378 64.500 63.100 0.036 0.000 0.828 96 P CB 0.158 31.876 31.700 0.031 0.000 0.788 97 K N -0.769 119.639 120.400 0.013 0.000 2.288 97 K HA -0.063 4.257 4.320 -0.000 0.000 0.201 97 K C 1.084 177.669 176.600 -0.025 0.000 1.048 97 K CA 1.270 57.553 56.287 -0.007 0.000 0.956 97 K CB -0.656 31.840 32.500 -0.006 0.000 0.746 97 K HN 0.014 nan 8.250 nan 0.000 0.461 98 D N 1.664 122.051 120.400 -0.022 0.000 2.264 98 D HA -0.007 4.633 4.640 -0.000 0.000 0.208 98 D C 0.862 177.091 176.300 -0.118 0.000 0.966 98 D CA 0.433 54.390 54.000 -0.071 0.000 0.864 98 D CB -0.222 40.541 40.800 -0.061 0.000 0.933 98 D HN 0.257 nan 8.370 nan 0.000 0.499 99 I N 0.546 121.067 120.570 -0.081 0.000 2.996 99 I HA -0.113 4.056 4.170 -0.000 0.000 0.311 99 I C 1.903 177.964 176.117 -0.093 0.000 1.219 99 I CA 1.293 62.543 61.300 -0.084 0.000 1.452 99 I CB 0.264 38.240 38.000 -0.039 0.000 1.319 99 I HN 0.252 nan 8.210 nan 0.000 0.564 100 G N 5.295 114.033 108.800 -0.103 0.000 2.659 100 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.212 100 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.212 100 G C 0.500 175.319 174.900 -0.134 0.000 1.226 100 G CA -0.272 44.773 45.100 -0.091 0.000 0.739 100 G HN 0.579 nan 8.290 nan 0.000 0.528 101 R N 1.811 122.203 120.500 -0.180 0.000 2.863 101 R HA 0.402 4.741 4.340 -0.000 0.000 0.273 101 R C -2.427 173.674 176.300 -0.332 0.000 1.057 101 R CA -0.774 55.176 56.100 -0.250 0.000 1.191 101 R CB -0.105 30.054 30.300 -0.234 0.000 1.104 101 R HN 0.229 nan 8.270 nan 0.000 0.519 102 P HA 0.054 nan 4.420 nan 0.000 0.276 102 P C -0.367 176.726 177.300 -0.345 0.000 1.230 102 P CA -0.002 62.788 63.100 -0.517 0.000 0.776 102 P CB 0.749 31.844 31.700 -1.007 0.000 0.888 103 K N 2.563 122.821 120.400 -0.236 0.000 2.057 103 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 103 K C 1.939 178.530 176.600 -0.015 0.000 1.049 103 K CA 1.864 57.996 56.287 -0.258 0.000 0.931 103 K CB -0.557 31.942 32.500 -0.002 0.000 0.714 103 K HN 0.455 nan 8.250 nan 0.000 0.440 104 A N 1.759 124.603 122.820 0.040 0.000 1.908 104 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 104 A C 1.959 179.554 177.584 0.018 0.000 1.181 104 A CA 1.617 53.697 52.037 0.072 0.000 0.627 104 A CB -0.422 18.649 19.000 0.117 0.000 0.818 104 A HN 0.308 nan 8.150 nan 0.000 0.445 105 E N -0.409 119.753 120.200 -0.063 0.000 2.017 105 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 105 E C 2.082 178.662 176.600 -0.034 0.000 0.997 105 E CA 1.462 57.815 56.400 -0.079 0.000 0.804 105 E CB -0.364 29.240 29.700 -0.161 0.000 0.757 105 E HN 0.387 nan 8.360 nan 0.000 0.448 106 V N 1.689 121.566 119.914 -0.062 0.000 2.255 106 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 106 V C 2.414 178.625 176.094 0.195 0.000 1.051 106 V CA 2.000 64.319 62.300 0.030 0.000 1.018 106 V CB -1.009 30.764 31.823 -0.083 0.000 0.641 106 V HN 0.352 nan 8.190 nan 0.000 0.445 107 A N 0.179 123.170 122.820 0.285 0.000 1.903 107 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 107 A C 2.439 180.094 177.584 0.118 0.000 1.191 107 A CA 2.840 55.006 52.037 0.215 0.000 0.638 107 A CB -1.036 18.065 19.000 0.169 0.000 0.823 107 A HN 0.660 nan 8.150 nan 0.000 0.451 108 A N -0.612 122.259 122.820 0.085 0.000 1.902 108 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 108 A C 2.071 179.702 177.584 0.079 0.000 1.181 108 A CA 1.888 53.960 52.037 0.058 0.000 0.623 108 A CB -0.575 18.434 19.000 0.014 0.000 0.818 108 A HN 0.737 nan 8.150 nan 0.000 0.443 109 E N -1.173 119.076 120.200 0.082 0.000 2.051 109 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 109 E C 1.871 178.548 176.600 0.129 0.000 0.991 109 E CA 1.301 57.744 56.400 0.073 0.000 0.799 109 E CB -0.306 29.419 29.700 0.042 0.000 0.748 109 E HN 0.660 nan 8.360 nan 0.000 0.449 110 F N 0.834 120.794 119.950 0.016 0.000 2.146 110 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 110 F C 2.002 177.812 175.800 0.016 0.000 1.096 110 F CA 0.842 58.852 58.000 0.017 0.000 1.275 110 F CB 0.147 39.156 39.000 0.015 0.000 1.008 110 F HN 0.024 nan 8.300 nan 0.000 0.480 111 L N -0.087 121.331 121.223 0.325 0.000 2.044 111 L HA -0.219 4.121 4.340 -0.000 0.000 0.205 111 L C 2.095 179.055 176.870 0.149 0.000 1.075 111 L CA 0.920 55.886 54.840 0.209 0.000 0.747 111 L CB -0.911 41.210 42.059 0.104 0.000 0.903 111 L HN 0.104 nan 8.230 nan 0.000 0.435 112 N N 0.255 119.021 118.700 0.109 0.000 2.272 112 N HA -0.221 4.519 4.740 -0.000 0.000 0.185 112 N C 1.395 176.943 175.510 0.063 0.000 1.014 112 N CA 1.782 54.877 53.050 0.074 0.000 0.870 112 N CB -0.269 38.248 38.487 0.050 0.000 0.975 112 N HN 0.500 nan 8.380 nan 0.000 0.433 113 D N 0.537 120.977 120.400 0.066 0.000 2.107 113 D HA -0.070 4.570 4.640 -0.000 0.000 0.204 113 D C 2.046 178.375 176.300 0.048 0.000 0.978 113 D CA 0.827 54.843 54.000 0.028 0.000 0.852 113 D CB -0.001 40.779 40.800 -0.034 0.000 1.008 113 D HN -0.141 nan 8.370 nan 0.000 0.458 114 R N -0.073 120.490 120.500 0.105 0.000 2.080 114 R HA 0.063 4.402 4.340 -0.000 0.000 0.236 114 R C 0.148 176.510 176.300 0.103 0.000 1.137 114 R CA 0.938 57.118 56.100 0.134 0.000 0.943 114 R CB -0.538 29.934 30.300 0.285 0.000 0.846 114 R HN 0.154 nan 8.270 nan 0.000 0.431 115 V N 2.361 122.339 119.914 0.108 0.000 2.368 115 V HA 0.148 4.268 4.120 -0.000 0.000 0.266 115 V C -1.664 174.468 176.094 0.064 0.000 1.045 115 V CA -1.521 60.827 62.300 0.081 0.000 0.899 115 V CB 1.189 33.063 31.823 0.085 0.000 1.006 115 V HN 0.240 nan 8.190 nan 0.000 0.470 116 P HA -0.176 nan 4.420 nan 0.000 0.219 116 P C 0.554 177.880 177.300 0.044 0.000 0.910 116 P CA 0.994 64.119 63.100 0.041 0.000 1.033 116 P CB 0.009 31.730 31.700 0.034 0.000 0.630 117 N N -0.303 118.422 118.700 0.041 0.000 2.991 117 N HA 0.023 4.763 4.740 -0.000 0.000 0.324 117 N C -0.315 175.229 175.510 0.056 0.000 1.208 117 N CA 0.452 53.528 53.050 0.042 0.000 1.190 117 N CB -1.192 37.316 38.487 0.034 0.000 1.443 117 N HN 0.138 nan 8.380 nan 0.000 0.542 118 C N 1.160 120.498 119.300 0.064 0.000 2.994 118 C HA 0.541 5.001 4.460 -0.000 0.000 0.305 118 C C -0.789 174.247 174.990 0.076 0.000 1.251 118 C CA -0.851 58.216 59.018 0.081 0.000 1.478 118 C CB 1.629 29.422 27.740 0.089 0.000 1.922 118 C HN 0.629 nan 8.230 nan 0.000 0.472 119 N N 2.751 121.505 118.700 0.090 0.000 2.685 119 N HA 0.407 5.147 4.740 -0.000 0.000 0.252 119 N C -1.517 174.048 175.510 0.091 0.000 1.261 119 N CA -0.234 52.863 53.050 0.078 0.000 0.768 119 N CB 1.209 39.742 38.487 0.075 0.000 1.304 119 N HN 0.469 nan 8.380 nan 0.000 0.536 120 V N 2.389 122.345 119.914 0.070 0.000 2.498 120 V HA 0.348 4.468 4.120 -0.000 0.000 0.279 120 V C 0.111 176.197 176.094 -0.013 0.000 1.048 120 V CA -0.564 61.774 62.300 0.063 0.000 0.967 120 V CB 1.429 33.286 31.823 0.058 0.000 0.988 120 V HN 0.338 nan 8.190 nan 0.000 0.473 121 V N 8.473 128.335 119.914 -0.088 0.000 2.311 121 V HA 0.315 4.435 4.120 -0.000 0.000 0.275 121 V C -1.854 174.024 176.094 -0.360 0.000 1.022 121 V CA -1.549 60.555 62.300 -0.327 0.000 0.830 121 V CB 1.438 32.785 31.823 -0.793 0.000 1.012 121 V HN 0.764 nan 8.190 nan 0.000 0.452 122 P HA 0.240 nan 4.420 nan 0.000 0.274 122 P C -0.831 176.297 177.300 -0.285 0.000 1.246 122 P CA -0.133 62.874 63.100 -0.156 0.000 0.795 122 P CB 0.899 32.558 31.700 -0.068 0.000 1.006 123 H N 1.108 120.250 119.070 0.120 0.000 3.162 123 H HA 0.161 4.716 4.556 -0.000 0.000 0.309 123 H C -0.974 174.499 175.328 0.242 0.000 1.156 123 H CA -0.480 55.676 56.048 0.180 0.000 1.586 123 H CB 0.023 29.905 29.762 0.199 0.000 1.740 123 H HN 0.295 nan 8.280 nan 0.000 0.525 124 F N 4.525 124.556 119.950 0.135 0.000 2.685 124 F HA 0.188 4.715 4.527 -0.000 0.000 0.349 124 F C -0.369 175.455 175.800 0.040 0.000 1.294 124 F CA -0.225 57.811 58.000 0.060 0.000 1.201 124 F CB -0.512 38.495 39.000 0.011 0.000 1.615 124 F HN 0.364 nan 8.300 nan 0.000 0.674 125 N N 2.875 121.582 118.700 0.012 0.000 2.853 125 N HA 0.265 5.005 4.740 -0.000 0.000 0.258 125 N C -1.382 174.057 175.510 -0.118 0.000 1.444 125 N CA -0.881 52.074 53.050 -0.158 0.000 0.837 125 N CB 2.203 40.596 38.487 -0.156 0.000 1.489 125 N HN 0.281 nan 8.380 nan 0.000 0.529 126 K N 0.302 120.577 120.400 -0.209 0.000 2.123 126 K HA 0.363 4.683 4.320 -0.000 0.000 0.259 126 K C 0.741 177.257 176.600 -0.139 0.000 0.960 126 K CA -0.621 55.560 56.287 -0.177 0.000 0.872 126 K CB 1.467 33.822 32.500 -0.242 0.000 1.079 126 K HN 0.269 nan 8.250 nan 0.000 0.440 127 I N 1.971 122.469 120.570 -0.120 0.000 2.181 127 I HA -0.312 3.858 4.170 -0.000 0.000 0.247 127 I C 2.170 178.032 176.117 -0.425 0.000 1.081 127 I CA 1.795 63.033 61.300 -0.103 0.000 1.340 127 I CB -0.875 37.024 38.000 -0.168 0.000 1.036 127 I HN 0.766 nan 8.210 nan 0.000 0.417 128 Q N -0.532 118.772 119.800 -0.827 0.000 2.482 128 Q HA -0.104 4.236 4.340 -0.000 0.000 0.209 128 Q C 1.076 176.872 176.000 -0.341 0.000 0.961 128 Q CA 0.668 55.891 55.803 -0.966 0.000 0.945 128 Q CB -0.614 27.559 28.738 -0.942 0.000 1.012 128 Q HN 0.446 nan 8.270 nan 0.000 0.515 129 D N 0.374 120.561 120.400 -0.355 0.000 2.269 129 D HA 0.039 4.678 4.640 -0.000 0.000 0.208 129 D C -0.275 175.704 176.300 -0.534 0.000 0.963 129 D CA 0.463 54.170 54.000 -0.488 0.000 0.864 129 D CB 0.046 40.383 40.800 -0.772 0.000 0.936 129 D HN 0.177 nan 8.370 nan 0.000 0.505 130 F N 1.120 120.990 119.950 -0.134 0.000 2.425 130 F HA 0.274 4.801 4.527 -0.000 0.000 0.331 130 F C 1.238 177.156 175.800 0.196 0.000 1.085 130 F CA -1.075 56.846 58.000 -0.132 0.000 1.028 130 F CB 0.901 39.584 39.000 -0.528 0.000 1.177 130 F HN -0.212 nan 8.300 nan 0.000 0.487 131 N N 0.379 119.284 118.700 0.342 0.000 2.671 131 N HA 0.083 4.823 4.740 -0.000 0.000 0.303 131 N C 0.408 176.147 175.510 0.383 0.000 1.277 131 N CA -0.621 52.641 53.050 0.354 0.000 0.933 131 N CB 0.710 39.322 38.487 0.208 0.000 1.190 131 N HN 0.694 nan 8.380 nan 0.000 0.600 132 D N -0.500 120.072 120.400 0.288 0.000 2.362 132 D HA -0.154 4.486 4.640 -0.000 0.000 0.215 132 D C 0.669 177.090 176.300 0.201 0.000 0.978 132 D CA 1.229 55.369 54.000 0.234 0.000 0.921 132 D CB 0.065 40.946 40.800 0.135 0.000 0.895 132 D HN 0.530 nan 8.370 nan 0.000 0.494 133 T N -0.796 113.876 114.554 0.196 0.000 3.031 133 T HA 0.003 4.353 4.350 -0.000 0.000 0.254 133 T C 1.255 176.041 174.700 0.142 0.000 1.060 133 T CA -0.047 62.138 62.100 0.141 0.000 1.135 133 T CB -0.099 68.841 68.868 0.120 0.000 0.896 133 T HN 0.177 nan 8.240 nan 0.000 0.472 134 F N 1.252 121.203 119.950 0.001 0.000 2.098 134 F HA -0.005 4.522 4.527 -0.000 0.000 0.294 134 F C 1.796 177.560 175.800 -0.059 0.000 1.107 134 F CA 1.088 59.020 58.000 -0.113 0.000 1.234 134 F CB -0.568 38.275 39.000 -0.261 0.000 1.002 134 F HN 0.183 nan 8.300 nan 0.000 0.472 135 Y N 0.196 120.596 120.300 0.166 0.000 2.256 135 Y HA -0.161 4.388 4.550 -0.000 0.000 0.288 135 Y C 2.572 178.515 175.900 0.072 0.000 1.155 135 Y CA 1.202 59.373 58.100 0.119 0.000 1.203 135 Y CB -0.516 38.034 38.460 0.150 0.000 0.980 135 Y HN -0.049 nan 8.280 nan 0.000 0.530 136 R N 0.560 121.129 120.500 0.115 0.000 2.200 136 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 136 R C 1.616 177.819 176.300 -0.162 0.000 1.127 136 R CA 1.217 57.318 56.100 0.001 0.000 0.989 136 R CB -0.244 30.054 30.300 -0.002 0.000 0.869 136 R HN 0.577 nan 8.270 nan 0.000 0.459 137 Q N -0.850 118.742 119.800 -0.347 0.000 2.472 137 Q HA -0.009 4.331 4.340 -0.000 0.000 0.208 137 Q C -0.264 175.208 176.000 -0.881 0.000 0.958 137 Q CA 0.535 55.953 55.803 -0.642 0.000 0.932 137 Q CB 0.178 28.409 28.738 -0.845 0.000 1.007 137 Q HN 0.119 nan 8.270 nan 0.000 0.508 138 F N -1.284 118.433 119.950 -0.388 0.000 2.440 138 F HA 0.235 4.762 4.527 -0.000 0.000 0.328 138 F C 1.376 176.952 175.800 -0.374 0.000 1.070 138 F CA -0.776 56.995 58.000 -0.382 0.000 1.011 138 F CB 0.836 39.671 39.000 -0.275 0.000 1.226 138 F HN -0.049 nan 8.300 nan 0.000 0.491 139 H N 1.152 120.285 119.070 0.105 0.000 2.553 139 H HA 0.410 4.965 4.556 -0.000 0.000 0.276 139 H C 0.014 175.374 175.328 0.052 0.000 0.979 139 H CA 0.902 56.985 56.048 0.058 0.000 1.268 139 H CB 0.838 30.634 29.762 0.057 0.000 1.450 139 H HN 0.275 nan 8.280 nan 0.000 0.527 140 I N 0.936 121.599 120.570 0.154 0.000 2.752 140 I HA 0.282 4.452 4.170 -0.000 0.000 0.295 140 I C -0.968 175.132 176.117 -0.028 0.000 1.219 140 I CA -0.601 60.727 61.300 0.047 0.000 1.030 140 I CB 3.335 41.342 38.000 0.012 0.000 1.259 140 I HN -0.184 nan 8.210 nan 0.000 0.423 141 I N 5.351 125.880 120.570 -0.069 0.000 2.465 141 I HA 0.496 4.666 4.170 -0.000 0.000 0.291 141 I C -0.957 175.091 176.117 -0.116 0.000 1.014 141 I CA -0.952 60.270 61.300 -0.130 0.000 1.093 141 I CB 2.349 40.270 38.000 -0.132 0.000 1.267 141 I HN 0.128 nan 8.210 nan 0.000 0.431 142 V N 5.238 125.076 119.914 -0.127 0.000 2.407 142 V HA 0.240 4.360 4.120 -0.000 0.000 0.291 142 V C -0.500 175.536 176.094 -0.096 0.000 1.018 142 V CA -0.637 61.597 62.300 -0.110 0.000 0.842 142 V CB 1.728 33.480 31.823 -0.118 0.000 0.996 142 V HN 0.864 nan 8.190 nan 0.000 0.426 143 C N 4.290 123.536 119.300 -0.090 0.000 2.273 143 C HA 0.766 5.226 4.460 -0.000 0.000 0.328 143 C C 1.238 176.182 174.990 -0.078 0.000 1.275 143 C CA 0.327 59.298 59.018 -0.078 0.000 1.704 143 C CB -0.209 27.482 27.740 -0.081 0.000 2.326 143 C HN 1.099 nan 8.230 nan 0.000 0.517 144 G N 5.365 114.126 108.800 -0.064 0.000 4.100 144 G HA2 0.354 4.314 3.960 -0.000 0.000 0.294 144 G HA3 0.354 4.314 3.960 -0.000 0.000 0.294 144 G C -0.483 174.388 174.900 -0.049 0.000 1.040 144 G CA -0.032 45.031 45.100 -0.062 0.000 0.829 144 G HN 0.626 nan 8.290 nan 0.000 0.505 145 L N 0.524 121.719 121.223 -0.046 0.000 2.325 145 L HA 0.520 4.860 4.340 -0.000 0.000 0.279 145 L C -0.743 176.103 176.870 -0.041 0.000 1.054 145 L CA -0.760 54.059 54.840 -0.035 0.000 0.804 145 L CB 1.314 43.357 42.059 -0.027 0.000 1.200 145 L HN -0.099 nan 8.230 nan 0.000 0.436 146 D N 3.379 123.760 120.400 -0.031 0.000 2.551 146 D HA 0.180 4.820 4.640 -0.000 0.000 0.223 146 D C -0.702 175.582 176.300 -0.027 0.000 1.144 146 D CA 0.407 54.391 54.000 -0.027 0.000 1.025 146 D CB 0.300 41.087 40.800 -0.021 0.000 1.085 146 D HN 0.412 nan 8.370 nan 0.000 0.506 147 S N 1.438 117.116 115.700 -0.037 0.000 2.590 147 S HA 0.179 4.649 4.470 -0.000 0.000 0.286 147 S C 0.998 175.570 174.600 -0.048 0.000 1.147 147 S CA -0.681 57.500 58.200 -0.032 0.000 0.963 147 S CB 0.540 63.721 63.200 -0.032 0.000 1.124 147 S HN 0.229 nan 8.310 nan 0.000 0.458 148 I N 4.700 125.252 120.570 -0.030 0.000 2.286 148 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 148 I C 2.121 178.222 176.117 -0.026 0.000 1.115 148 I CA 1.304 62.577 61.300 -0.045 0.000 1.392 148 I CB -0.271 37.745 38.000 0.028 0.000 1.065 148 I HN 0.679 nan 8.210 nan 0.000 0.418 149 I N 1.011 121.583 120.570 0.003 0.000 2.163 149 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 149 I C 2.857 179.013 176.117 0.065 0.000 1.085 149 I CA 1.548 62.870 61.300 0.037 0.000 1.347 149 I CB -0.440 37.573 38.000 0.021 0.000 1.044 149 I HN 0.220 nan 8.210 nan 0.000 0.408 150 A N 0.929 123.759 122.820 0.018 0.000 1.877 150 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 150 A C 2.371 179.983 177.584 0.047 0.000 1.186 150 A CA 1.551 53.606 52.037 0.031 0.000 0.620 150 A CB -0.606 18.381 19.000 -0.021 0.000 0.822 150 A HN 0.325 nan 8.150 nan 0.000 0.443 151 R N -0.619 119.852 120.500 -0.047 0.000 2.081 151 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 151 R C 2.381 178.636 176.300 -0.075 0.000 1.131 151 R CA 1.610 57.640 56.100 -0.117 0.000 0.960 151 R CB -0.319 29.804 30.300 -0.296 0.000 0.856 151 R HN 0.490 nan 8.270 nan 0.000 0.436 152 R N -0.775 119.703 120.500 -0.036 0.000 2.115 152 R HA -0.129 4.210 4.340 -0.000 0.000 0.226 152 R C 1.847 178.168 176.300 0.033 0.000 1.100 152 R CA 1.200 57.298 56.100 -0.005 0.000 0.980 152 R CB -0.206 30.107 30.300 0.021 0.000 0.875 152 R HN 0.327 nan 8.270 nan 0.000 0.445 153 W N 1.219 122.478 121.300 -0.069 0.000 2.408 153 W HA -0.136 4.524 4.660 -0.000 0.000 0.311 153 W C 1.924 178.386 176.519 -0.095 0.000 1.190 153 W CA 0.938 58.247 57.345 -0.059 0.000 1.321 153 W CB -0.275 29.160 29.460 -0.041 0.000 1.143 153 W HN -0.048 nan 8.180 nan 0.000 0.501 154 I N 1.737 122.451 120.570 0.240 0.000 2.208 154 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 154 I C 2.139 178.154 176.117 -0.169 0.000 1.097 154 I CA 2.460 63.771 61.300 0.019 0.000 1.363 154 I CB -1.172 36.831 38.000 0.005 0.000 1.051 154 I HN 0.166 nan 8.210 nan 0.000 0.413 155 N N 0.525 119.154 118.700 -0.118 0.000 2.061 155 N HA -0.173 4.567 4.740 -0.000 0.000 0.193 155 N C 2.040 177.450 175.510 -0.166 0.000 1.030 155 N CA 2.198 55.177 53.050 -0.118 0.000 0.856 155 N CB -0.873 37.569 38.487 -0.075 0.000 1.023 155 N HN 0.460 nan 8.380 nan 0.000 0.424 156 G N 0.124 108.784 108.800 -0.234 0.000 2.421 156 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.216 156 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.216 156 G C 1.496 176.191 174.900 -0.341 0.000 1.171 156 G CA 1.149 46.080 45.100 -0.282 0.000 0.775 156 G HN 0.412 nan 8.290 nan 0.000 0.543 157 M N 0.519 119.805 119.600 -0.523 0.000 2.082 157 M HA 0.025 4.505 4.480 -0.000 0.000 0.258 157 M C 2.284 178.433 176.300 -0.251 0.000 1.069 157 M CA 1.448 56.463 55.300 -0.475 0.000 1.102 157 M CB -0.472 31.733 32.600 -0.658 0.000 1.336 157 M HN 0.164 nan 8.290 nan 0.000 0.404 158 L N -0.956 120.132 121.223 -0.225 0.000 2.217 158 L HA -0.127 4.212 4.340 -0.000 0.000 0.211 158 L C 2.320 179.141 176.870 -0.082 0.000 1.107 158 L CA 0.809 55.571 54.840 -0.130 0.000 0.783 158 L CB -0.667 41.320 42.059 -0.120 0.000 0.919 158 L HN 0.373 nan 8.230 nan 0.000 0.442 159 I N -0.872 119.645 120.570 -0.088 0.000 2.286 159 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 159 I C 2.810 178.915 176.117 -0.019 0.000 1.104 159 I CA 1.118 62.397 61.300 -0.034 0.000 1.397 159 I CB -0.206 37.772 38.000 -0.036 0.000 1.072 159 I HN 0.214 nan 8.210 nan 0.000 0.417 160 S N 1.309 116.970 115.700 -0.065 0.000 2.402 160 S HA -0.164 4.306 4.470 -0.000 0.000 0.233 160 S C 1.974 176.570 174.600 -0.007 0.000 1.030 160 S CA 1.332 59.505 58.200 -0.046 0.000 1.003 160 S CB -0.340 62.805 63.200 -0.091 0.000 0.813 160 S HN 0.410 nan 8.310 nan 0.000 0.477 161 L N 0.827 122.043 121.223 -0.012 0.000 2.395 161 L HA 0.211 4.551 4.340 -0.000 0.000 0.218 161 L C 0.721 177.592 176.870 0.001 0.000 1.130 161 L CA -0.058 54.785 54.840 0.006 0.000 0.826 161 L CB -0.473 41.591 42.059 0.007 0.000 0.941 161 L HN 0.279 nan 8.230 nan 0.000 0.451 162 L N 1.241 122.466 121.223 0.003 0.000 2.514 162 L HA -0.049 4.291 4.340 -0.000 0.000 0.280 162 L C 0.555 177.430 176.870 0.008 0.000 1.223 162 L CA 0.425 55.247 54.840 -0.030 0.000 0.864 162 L CB -0.017 42.048 42.059 0.010 0.000 1.118 162 L HN 0.179 nan 8.230 nan 0.000 0.494 163 N N 2.742 121.388 118.700 -0.089 0.000 2.623 163 N HA 0.201 4.941 4.740 -0.000 0.000 0.256 163 N C -1.380 174.096 175.510 -0.056 0.000 1.045 163 N CA -0.419 52.626 53.050 -0.009 0.000 0.863 163 N CB 0.662 39.139 38.487 -0.016 0.000 1.182 163 N HN 0.265 nan 8.380 nan 0.000 0.523 164 Y N 0.883 121.180 120.300 -0.005 0.000 2.299 164 Y HA 0.252 4.802 4.550 -0.000 0.000 0.326 164 Y C 0.862 176.760 175.900 -0.002 0.000 1.164 164 Y CA -0.638 57.460 58.100 -0.003 0.000 1.234 164 Y CB 1.180 39.637 38.460 -0.005 0.000 1.219 164 Y HN 0.433 nan 8.280 nan 0.000 0.497 165 E N 2.953 123.237 120.200 0.141 0.000 3.167 165 E HA 0.141 4.491 4.350 -0.000 0.000 0.212 165 E C -1.089 175.557 176.600 0.076 0.000 1.143 165 E CA -0.177 56.272 56.400 0.082 0.000 1.002 165 E CB -0.332 29.393 29.700 0.042 0.000 1.315 165 E HN 0.557 nan 8.360 nan 0.000 0.422 166 D N 2.729 123.178 120.400 0.081 0.000 2.760 166 D HA -0.196 4.444 4.640 -0.000 0.000 0.244 166 D C 0.680 177.020 176.300 0.066 0.000 1.123 166 D CA 1.633 55.665 54.000 0.054 0.000 0.719 166 D CB -1.165 39.656 40.800 0.035 0.000 1.045 166 D HN 0.829 nan 8.370 nan 0.000 0.426 167 G N -1.097 107.764 108.800 0.100 0.000 2.268 167 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.240 167 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.240 167 G C 0.400 175.389 174.900 0.148 0.000 1.010 167 G CA 0.295 45.463 45.100 0.112 0.000 0.618 167 G HN 0.889 nan 8.290 nan 0.000 0.516 168 V N 2.360 122.344 119.914 0.116 0.000 2.334 168 V HA 0.577 4.697 4.120 -0.000 0.000 0.267 168 V C 0.565 176.679 176.094 0.032 0.000 1.040 168 V CA -0.477 61.864 62.300 0.068 0.000 0.866 168 V CB 1.267 33.112 31.823 0.036 0.000 1.019 168 V HN 0.504 nan 8.190 nan 0.000 0.468 169 L N 5.033 126.228 121.223 -0.046 0.000 2.418 169 L HA 0.289 4.629 4.340 -0.000 0.000 0.274 169 L C 0.496 177.258 176.870 -0.181 0.000 1.135 169 L CA 0.470 55.134 54.840 -0.294 0.000 0.870 169 L CB 0.517 42.313 42.059 -0.438 0.000 1.154 169 L HN 0.614 nan 8.230 nan 0.000 0.462 170 D N 7.814 128.113 120.400 -0.169 0.000 2.382 170 D HA 0.050 4.690 4.640 -0.000 0.000 0.259 170 D C -1.627 174.613 176.300 -0.101 0.000 1.224 170 D CA -1.433 52.509 54.000 -0.097 0.000 0.894 170 D CB 1.503 42.261 40.800 -0.070 0.000 1.127 170 D HN 0.442 nan 8.370 nan 0.000 0.487 171 P HA -0.188 nan 4.420 nan 0.000 0.215 171 P C 1.232 178.510 177.300 -0.037 0.000 1.153 171 P CA 1.123 64.194 63.100 -0.048 0.000 0.853 171 P CB -0.015 31.671 31.700 -0.023 0.000 0.788 172 S N -0.884 114.799 115.700 -0.029 0.000 2.537 172 S HA -0.075 4.395 4.470 -0.000 0.000 0.240 172 S C 2.187 176.774 174.600 -0.021 0.000 0.981 172 S CA 1.146 59.337 58.200 -0.015 0.000 0.948 172 S CB -1.228 61.964 63.200 -0.013 0.000 0.759 172 S HN 0.165 nan 8.310 nan 0.000 0.531 173 S N 0.664 116.337 115.700 -0.045 0.000 2.436 173 S HA 0.248 4.718 4.470 -0.000 0.000 0.228 173 S C 0.631 175.202 174.600 -0.050 0.000 1.014 173 S CA -0.327 57.841 58.200 -0.054 0.000 0.950 173 S CB -0.572 62.572 63.200 -0.093 0.000 0.784 173 S HN 0.604 nan 8.310 nan 0.000 0.504 174 I N 2.815 123.355 120.570 -0.050 0.000 2.505 174 I HA 0.124 4.294 4.170 -0.000 0.000 0.287 174 I C -0.846 175.266 176.117 -0.009 0.000 1.104 174 I CA -0.310 60.968 61.300 -0.038 0.000 1.387 174 I CB 1.038 39.016 38.000 -0.038 0.000 1.404 174 I HN -0.042 nan 8.210 nan 0.000 0.528 175 V N 8.970 128.878 119.914 -0.010 0.000 2.313 175 V HA 0.246 4.366 4.120 -0.000 0.000 0.278 175 V C -2.127 173.964 176.094 -0.005 0.000 1.017 175 V CA -1.881 60.423 62.300 0.006 0.000 0.823 175 V CB 0.990 32.818 31.823 0.008 0.000 1.010 175 V HN 0.591 nan 8.190 nan 0.000 0.443 176 P HA 0.064 nan 4.420 nan 0.000 0.262 176 P C -0.726 176.558 177.300 -0.027 0.000 1.182 176 P CA -0.019 63.077 63.100 -0.007 0.000 0.761 176 P CB 0.449 32.153 31.700 0.005 0.000 0.795 177 L N 5.698 126.898 121.223 -0.038 0.000 2.305 177 L HA 0.495 4.835 4.340 -0.000 0.000 0.284 177 L C -1.042 175.791 176.870 -0.062 0.000 1.013 177 L CA -0.267 54.539 54.840 -0.058 0.000 0.819 177 L CB 0.567 42.587 42.059 -0.064 0.000 1.227 177 L HN 0.248 nan 8.230 nan 0.000 0.417 178 I N 4.665 125.190 120.570 -0.075 0.000 2.378 178 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 178 I C -0.771 175.286 176.117 -0.099 0.000 0.992 178 I CA -0.467 60.782 61.300 -0.086 0.000 1.154 178 I CB 1.701 39.650 38.000 -0.085 0.000 1.315 178 I HN 0.560 nan 8.210 nan 0.000 0.448 179 D N 4.731 125.064 120.400 -0.112 0.000 2.649 179 D HA 0.571 5.211 4.640 -0.000 0.000 0.249 179 D C -0.712 175.511 176.300 -0.129 0.000 1.112 179 D CA -0.176 53.754 54.000 -0.116 0.000 0.850 179 D CB 2.824 43.553 40.800 -0.119 0.000 1.399 179 D HN 0.705 nan 8.370 nan 0.000 0.503 180 G N 0.695 109.429 108.800 -0.109 0.000 2.524 180 G HA2 0.673 4.632 3.960 -0.000 0.000 0.310 180 G HA3 0.673 4.632 3.960 -0.000 0.000 0.310 180 G C -0.654 174.205 174.900 -0.069 0.000 1.279 180 G CA -0.697 44.341 45.100 -0.104 0.000 0.974 180 G HN 0.437 nan 8.290 nan 0.000 0.484 181 G N -0.887 107.887 108.800 -0.044 0.000 2.619 181 G HA2 0.681 4.641 3.960 -0.000 0.000 0.296 181 G HA3 0.681 4.641 3.960 -0.000 0.000 0.296 181 G C -1.266 173.633 174.900 -0.002 0.000 1.334 181 G CA -0.472 44.625 45.100 -0.006 0.000 0.934 181 G HN 0.671 nan 8.290 nan 0.000 0.476 182 T N 0.556 115.110 114.554 -0.000 0.000 2.993 182 T HA 0.555 4.905 4.350 -0.000 0.000 0.312 182 T C -1.266 173.431 174.700 -0.006 0.000 1.115 182 T CA -0.458 61.639 62.100 -0.006 0.000 1.027 182 T CB 1.889 70.733 68.868 -0.040 0.000 1.116 182 T HN 0.495 nan 8.240 nan 0.000 0.464 183 E N 1.868 122.068 120.200 0.000 0.000 2.432 183 E HA 0.498 4.847 4.350 -0.000 0.000 0.272 183 E C 0.544 177.126 176.600 -0.030 0.000 0.937 183 E CA -0.577 55.817 56.400 -0.010 0.000 0.812 183 E CB 1.601 31.315 29.700 0.024 0.000 1.377 183 E HN 0.957 nan 8.360 nan 0.000 0.399 184 G N 2.241 110.974 108.800 -0.111 0.000 2.583 184 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.292 184 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.292 184 G C 0.183 174.897 174.900 -0.310 0.000 1.203 184 G CA 0.383 45.348 45.100 -0.224 0.000 0.987 184 G HN 0.494 nan 8.290 nan 0.000 0.554 185 F N 2.749 122.720 119.950 0.035 0.000 2.664 185 F HA 0.399 4.926 4.527 -0.000 0.000 0.301 185 F C 1.348 177.188 175.800 0.067 0.000 1.126 185 F CA 0.563 58.597 58.000 0.058 0.000 1.373 185 F CB 0.319 39.334 39.000 0.025 0.000 1.042 185 F HN 0.096 nan 8.300 nan 0.000 0.535 186 K N -0.159 120.342 120.400 0.169 0.000 2.208 186 K HA 0.801 5.120 4.320 -0.000 0.000 0.247 186 K C 0.013 176.705 176.600 0.153 0.000 0.953 186 K CA -0.859 55.506 56.287 0.130 0.000 0.837 186 K CB 2.115 34.663 32.500 0.079 0.000 1.131 186 K HN 0.091 nan 8.250 nan 0.000 0.431 187 G N 0.935 109.845 108.800 0.182 0.000 2.698 187 G HA2 0.371 4.331 3.960 -0.000 0.000 0.293 187 G HA3 0.371 4.331 3.960 -0.000 0.000 0.293 187 G C -1.804 173.151 174.900 0.090 0.000 1.437 187 G CA -0.703 44.470 45.100 0.122 0.000 0.852 187 G HN 0.687 nan 8.290 nan 0.000 0.499 188 N N -0.911 117.803 118.700 0.023 0.000 2.455 188 N HA 0.811 5.551 4.740 -0.000 0.000 0.278 188 N C -1.024 174.384 175.510 -0.170 0.000 1.291 188 N CA -0.534 52.480 53.050 -0.059 0.000 0.780 188 N CB 2.419 40.904 38.487 -0.003 0.000 1.520 188 N HN 1.292 nan 8.380 nan 0.000 0.486 189 A N 0.505 123.134 122.820 -0.319 0.000 2.540 189 A HA 0.754 5.074 4.320 -0.000 0.000 0.297 189 A C -1.072 176.253 177.584 -0.432 0.000 1.056 189 A CA -0.858 51.005 52.037 -0.290 0.000 0.700 189 A CB 1.596 20.480 19.000 -0.192 0.000 1.280 189 A HN 1.006 nan 8.150 nan 0.000 0.398 190 R N 0.370 120.662 120.500 -0.347 0.000 2.680 190 R HA 0.768 5.108 4.340 -0.000 0.000 0.269 190 R C -1.933 174.268 176.300 -0.165 0.000 1.026 190 R CA -0.813 55.090 56.100 -0.328 0.000 0.889 190 R CB 1.514 31.539 30.300 -0.459 0.000 1.241 190 R HN 0.395 nan 8.270 nan 0.000 0.463 191 V N 3.168 123.017 119.914 -0.109 0.000 2.435 191 V HA 0.485 4.605 4.120 -0.000 0.000 0.290 191 V C -0.042 176.034 176.094 -0.030 0.000 1.030 191 V CA -0.607 61.657 62.300 -0.059 0.000 0.881 191 V CB 1.445 33.245 31.823 -0.037 0.000 0.983 191 V HN 0.593 nan 8.190 nan 0.000 0.445 192 I N 5.781 126.337 120.570 -0.023 0.000 2.418 192 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 192 I C -0.763 175.352 176.117 -0.004 0.000 1.008 192 I CA -0.407 60.892 61.300 -0.002 0.000 1.104 192 I CB 1.871 39.870 38.000 -0.002 0.000 1.264 192 I HN 0.362 nan 8.210 nan 0.000 0.438 193 L N 8.293 129.520 121.223 0.007 0.000 2.313 193 L HA 0.407 4.747 4.340 -0.000 0.000 0.273 193 L C -2.356 174.516 176.870 0.003 0.000 1.028 193 L CA -1.832 53.010 54.840 0.003 0.000 0.871 193 L CB 0.832 42.897 42.059 0.010 0.000 1.242 193 L HN 0.218 nan 8.230 nan 0.000 0.434 194 P HA -0.090 nan 4.420 nan 0.000 0.261 194 P C 0.865 178.164 177.300 -0.002 0.000 1.165 194 P CA 0.782 63.880 63.100 -0.005 0.000 0.759 194 P CB 0.498 32.184 31.700 -0.023 0.000 0.772 195 G N 2.745 111.567 108.800 0.036 0.000 2.323 195 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.292 195 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.292 195 G C 0.236 175.156 174.900 0.035 0.000 1.040 195 G CA 0.695 45.837 45.100 0.069 0.000 0.942 195 G HN 0.646 nan 8.290 nan 0.000 0.506 196 M N -2.718 116.905 119.600 0.038 0.000 1.588 196 M HA 0.134 4.614 4.480 -0.000 0.000 0.257 196 M C 0.296 176.622 176.300 0.044 0.000 0.907 196 M CA 1.029 56.348 55.300 0.033 0.000 0.975 196 M CB 0.440 33.047 32.600 0.012 0.000 1.934 196 M HN 0.147 nan 8.290 nan 0.000 0.724 197 T N 1.221 115.801 114.554 0.043 0.000 2.940 197 T HA 0.771 5.121 4.350 -0.000 0.000 0.288 197 T C -0.567 174.170 174.700 0.063 0.000 1.045 197 T CA -0.157 61.975 62.100 0.053 0.000 1.018 197 T CB 1.775 70.670 68.868 0.044 0.000 1.151 197 T HN 0.316 nan 8.240 nan 0.000 0.529 198 A N 0.871 123.739 122.820 0.079 0.000 2.488 198 A HA 0.439 4.759 4.320 -0.000 0.000 0.249 198 A C 1.031 178.670 177.584 0.092 0.000 1.083 198 A CA -0.665 51.427 52.037 0.092 0.000 0.768 198 A CB -0.918 18.154 19.000 0.119 0.000 1.017 198 A HN 1.078 nan 8.150 nan 0.000 0.496 199 C N 1.855 121.204 119.300 0.082 0.000 2.517 199 C HA 0.541 5.001 4.460 -0.000 0.000 0.357 199 C C 1.764 176.821 174.990 0.113 0.000 1.485 199 C CA -0.588 58.472 59.018 0.071 0.000 2.148 199 C CB -0.395 27.370 27.740 0.043 0.000 2.019 199 C HN 0.812 nan 8.230 nan 0.000 0.576 200 I N 0.239 120.870 120.570 0.101 0.000 2.546 200 I HA -0.076 4.094 4.170 -0.000 0.000 0.255 200 I C 2.611 178.842 176.117 0.190 0.000 1.163 200 I CA 1.443 62.846 61.300 0.172 0.000 1.457 200 I CB -0.417 37.608 38.000 0.042 0.000 1.092 200 I HN 0.822 nan 8.210 nan 0.000 0.434 201 E N 0.585 120.849 120.200 0.107 0.000 2.046 201 E HA -0.180 4.170 4.350 -0.000 0.000 0.190 201 E C 1.805 178.465 176.600 0.100 0.000 0.982 201 E CA 1.087 57.544 56.400 0.095 0.000 0.800 201 E CB -0.084 29.644 29.700 0.048 0.000 0.756 201 E HN 0.635 nan 8.360 nan 0.000 0.449 202 C N 0.043 119.397 119.300 0.091 0.000 2.327 202 C HA 0.347 4.807 4.460 -0.000 0.000 0.401 202 C C 0.646 175.692 174.990 0.094 0.000 1.297 202 C CA 0.001 59.068 59.018 0.082 0.000 1.628 202 C CB -1.529 26.253 27.740 0.070 0.000 1.787 202 C HN 0.123 nan 8.230 nan 0.000 0.590 203 T N -0.454 114.168 114.554 0.113 0.000 3.918 203 T HA 0.072 4.422 4.350 -0.000 0.000 0.318 203 T C 0.773 175.516 174.700 0.073 0.000 0.885 203 T CA -0.315 61.843 62.100 0.096 0.000 0.947 203 T CB -0.261 68.700 68.868 0.155 0.000 1.170 203 T HN 0.288 nan 8.240 nan 0.000 0.612 204 L N 2.038 123.324 121.223 0.104 0.000 2.351 204 L HA 0.007 4.347 4.340 -0.000 0.000 0.220 204 L C 1.610 178.499 176.870 0.033 0.000 1.127 204 L CA 1.627 56.537 54.840 0.117 0.000 0.786 204 L CB -0.304 41.816 42.059 0.100 0.000 0.914 204 L HN 0.216 nan 8.230 nan 0.000 0.443 205 E N -0.602 119.592 120.200 -0.009 0.000 2.385 205 E HA -0.039 4.311 4.350 -0.000 0.000 0.201 205 E C 1.206 177.750 176.600 -0.093 0.000 1.250 205 E CA 0.356 56.733 56.400 -0.039 0.000 1.104 205 E CB -0.201 29.476 29.700 -0.039 0.000 1.174 205 E HN 0.534 nan 8.360 nan 0.000 0.461 206 L N -2.610 118.518 121.223 -0.158 0.000 2.877 206 L HA 0.086 4.426 4.340 -0.000 0.000 0.275 206 L C 1.451 178.167 176.870 -0.258 0.000 1.027 206 L CA 0.041 54.719 54.840 -0.269 0.000 1.135 206 L CB -0.036 41.749 42.059 -0.456 0.000 2.080 206 L HN 0.062 nan 8.230 nan 0.000 0.560 207 Y N 0.825 121.168 120.300 0.071 0.000 2.186 207 Y HA 0.061 4.611 4.550 -0.000 0.000 0.286 207 Y C -0.398 175.523 175.900 0.035 0.000 1.109 207 Y CA 0.339 58.474 58.100 0.057 0.000 1.099 207 Y CB -1.689 36.806 38.460 0.058 0.000 1.030 207 Y HN -0.003 nan 8.280 nan 0.000 0.495 208 P HA -0.186 nan 4.420 nan 0.000 0.218 208 P C -1.839 175.498 177.300 0.061 0.000 1.152 208 P CA 1.607 64.770 63.100 0.105 0.000 0.857 208 P CB -1.315 30.435 31.700 0.082 0.000 0.787 209 P HA -0.086 nan 4.420 nan 0.000 0.242 209 P C -0.194 177.118 177.300 0.019 0.000 1.116 209 P CA 1.151 64.265 63.100 0.023 0.000 0.954 209 P CB -0.530 31.178 31.700 0.014 0.000 0.908 210 Q N 2.070 121.872 119.800 0.002 0.000 2.445 210 Q HA 0.385 4.725 4.340 -0.000 0.000 0.281 210 Q C -0.809 175.155 176.000 -0.060 0.000 1.101 210 Q CA -1.015 54.774 55.803 -0.023 0.000 0.833 210 Q CB 1.674 30.398 28.738 -0.023 0.000 1.416 210 Q HN -0.021 nan 8.270 nan 0.000 0.451 211 V N 4.062 123.906 119.914 -0.116 0.000 2.242 211 V HA 0.085 4.205 4.120 -0.000 0.000 0.242 211 V C 0.022 175.921 176.094 -0.326 0.000 1.240 211 V CA -0.269 61.902 62.300 -0.214 0.000 1.211 211 V CB -1.138 30.515 31.823 -0.284 0.000 1.338 211 V HN 0.547 nan 8.190 nan 0.000 0.499 212 N N 3.333 121.932 118.700 -0.167 0.000 2.381 212 N HA 0.460 5.199 4.740 -0.000 0.000 0.254 212 N C -0.620 174.885 175.510 -0.009 0.000 1.264 212 N CA -0.045 52.951 53.050 -0.091 0.000 0.942 212 N CB 1.093 39.587 38.487 0.012 0.000 1.190 212 N HN 0.452 nan 8.380 nan 0.000 0.495 213 F N 0.134 120.111 119.950 0.044 0.000 2.617 213 F HA 0.288 4.815 4.527 -0.000 0.000 0.325 213 F C -1.892 173.923 175.800 0.024 0.000 1.179 213 F CA -1.866 56.164 58.000 0.049 0.000 0.965 213 F CB 2.235 41.282 39.000 0.079 0.000 1.232 213 F HN 0.157 nan 8.300 nan 0.000 0.461 214 P HA 0.014 nan 4.420 nan 0.000 0.269 214 P C 0.537 177.856 177.300 0.031 0.000 1.211 214 P CA -0.193 62.946 63.100 0.065 0.000 0.781 214 P CB 0.705 32.407 31.700 0.004 0.000 0.877 215 M N 2.008 121.624 119.600 0.027 0.000 2.254 215 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 215 M C 1.599 177.892 176.300 -0.012 0.000 1.066 215 M CA 1.566 56.882 55.300 0.027 0.000 1.123 215 M CB -0.847 31.774 32.600 0.035 0.000 1.388 215 M HN 0.554 nan 8.290 nan 0.000 0.425 216 C N -3.017 116.255 119.300 -0.046 0.000 2.512 216 C HA 0.156 4.616 4.460 -0.000 0.000 0.276 216 C C 2.294 177.187 174.990 -0.161 0.000 1.368 216 C CA 0.596 59.565 59.018 -0.082 0.000 1.755 216 C CB -1.645 26.055 27.740 -0.066 0.000 2.008 216 C HN 0.463 nan 8.230 nan 0.000 0.511 217 T N 2.154 116.577 114.554 -0.218 0.000 2.867 217 T HA 0.001 4.351 4.350 -0.000 0.000 0.268 217 T C 1.461 175.887 174.700 -0.455 0.000 1.057 217 T CA 1.637 63.493 62.100 -0.406 0.000 1.136 217 T CB -0.237 68.296 68.868 -0.558 0.000 0.874 217 T HN 0.475 nan 8.240 nan 0.000 0.466 218 I N 0.901 121.292 120.570 -0.298 0.000 3.035 218 I HA 0.246 4.416 4.170 -0.000 0.000 0.271 218 I C 2.491 178.510 176.117 -0.163 0.000 1.190 218 I CA 0.172 61.358 61.300 -0.190 0.000 1.472 218 I CB -0.550 37.431 38.000 -0.033 0.000 1.116 218 I HN 0.118 nan 8.210 nan 0.000 0.443 219 A N -0.081 122.657 122.820 -0.136 0.000 1.897 219 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 219 A C 1.972 179.375 177.584 -0.301 0.000 1.181 219 A CA 1.822 53.757 52.037 -0.169 0.000 0.620 219 A CB -0.344 18.639 19.000 -0.029 0.000 0.821 219 A HN 0.440 nan 8.150 nan 0.000 0.443 220 S N -3.239 112.318 115.700 -0.238 0.000 2.927 220 S HA 0.354 4.824 4.470 -0.000 0.000 0.246 220 S C 0.132 174.613 174.600 -0.198 0.000 0.907 220 S CA -0.214 57.872 58.200 -0.190 0.000 1.326 220 S CB -0.443 62.702 63.200 -0.093 0.000 1.216 220 S HN 0.279 nan 8.310 nan 0.000 0.652 221 M N 1.533 120.963 119.600 -0.282 0.000 3.189 221 M HA 0.373 4.853 4.480 -0.000 0.000 0.365 221 M C -3.115 172.958 176.300 -0.379 0.000 1.447 221 M CA -1.301 53.833 55.300 -0.276 0.000 0.739 221 M CB 0.987 33.462 32.600 -0.210 0.000 1.411 221 M HN -0.080 nan 8.290 nan 0.000 0.494 222 P HA 0.171 nan 4.420 nan 0.000 0.271 222 P C -0.126 177.062 177.300 -0.187 0.000 1.220 222 P CA 0.298 63.175 63.100 -0.371 0.000 0.768 222 P CB 0.823 32.200 31.700 -0.538 0.000 0.848 223 R N 2.057 122.624 120.500 0.112 0.000 2.470 223 R HA 0.297 4.637 4.340 -0.000 0.000 0.210 223 R C 0.092 176.441 176.300 0.081 0.000 0.873 223 R CA -0.113 56.033 56.100 0.077 0.000 1.015 223 R CB 0.102 30.448 30.300 0.076 0.000 1.348 223 R HN 0.275 nan 8.270 nan 0.000 0.650 224 L N 2.158 123.439 121.223 0.097 0.000 2.317 224 L HA 0.401 4.740 4.340 -0.000 0.000 0.281 224 L C -1.890 174.810 176.870 -0.283 0.000 1.024 224 L CA -2.410 52.278 54.840 -0.254 0.000 0.810 224 L CB 1.736 43.425 42.059 -0.617 0.000 1.240 224 L HN -0.250 nan 8.230 nan 0.000 0.427 225 P HA -0.201 nan 4.420 nan 0.000 0.216 225 P C 0.799 178.052 177.300 -0.078 0.000 1.154 225 P CA 1.197 64.257 63.100 -0.068 0.000 0.865 225 P CB 0.294 31.986 31.700 -0.013 0.000 0.789 226 E N -2.002 118.125 120.200 -0.123 0.000 2.267 226 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 226 E C 1.803 178.400 176.600 -0.005 0.000 0.998 226 E CA 0.962 57.363 56.400 0.001 0.000 0.830 226 E CB -0.851 28.926 29.700 0.128 0.000 0.751 226 E HN 0.479 nan 8.360 nan 0.000 0.491 227 H N -1.081 117.897 119.070 -0.153 0.000 2.428 227 H HA 0.023 4.579 4.556 -0.000 0.000 0.296 227 H C 1.949 177.178 175.328 -0.165 0.000 1.062 227 H CA 0.968 56.791 56.048 -0.375 0.000 1.350 227 H CB -0.513 28.992 29.762 -0.429 0.000 1.403 227 H HN 0.276 nan 8.280 nan 0.000 0.533 228 C N 0.678 119.988 119.300 0.017 0.000 2.489 228 C HA -0.009 4.451 4.460 -0.000 0.000 0.279 228 C C 2.937 177.992 174.990 0.107 0.000 1.266 228 C CA 0.174 59.220 59.018 0.047 0.000 1.707 228 C CB -0.972 26.780 27.740 0.021 0.000 2.059 228 C HN 0.422 nan 8.230 nan 0.000 0.481 229 I N 1.259 121.882 120.570 0.090 0.000 2.502 229 I HA -0.204 3.966 4.170 -0.000 0.000 0.258 229 I C 2.435 178.631 176.117 0.132 0.000 1.172 229 I CA 1.484 62.846 61.300 0.103 0.000 1.430 229 I CB -0.472 37.585 38.000 0.096 0.000 1.086 229 I HN 0.368 nan 8.210 nan 0.000 0.440 230 E N -0.076 120.225 120.200 0.167 0.000 2.385 230 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 230 E C 1.814 178.530 176.600 0.194 0.000 1.013 230 E CA 0.505 57.026 56.400 0.203 0.000 0.866 230 E CB -0.084 29.801 29.700 0.309 0.000 0.832 230 E HN 0.497 nan 8.360 nan 0.000 0.500 231 Y N -0.581 119.751 120.300 0.052 0.000 2.365 231 Y HA -0.000 4.550 4.550 -0.000 0.000 0.293 231 Y C 1.605 177.556 175.900 0.086 0.000 1.119 231 Y CA 0.900 59.029 58.100 0.047 0.000 1.203 231 Y CB 0.019 38.487 38.460 0.013 0.000 1.026 231 Y HN -0.070 nan 8.280 nan 0.000 0.549 232 V N 0.753 120.706 119.914 0.065 0.000 2.302 232 V HA -0.199 3.920 4.120 -0.000 0.000 0.243 232 V C 2.380 178.549 176.094 0.124 0.000 1.036 232 V CA 2.076 64.405 62.300 0.048 0.000 1.020 232 V CB -0.739 31.127 31.823 0.071 0.000 0.657 232 V HN 0.251 nan 8.190 nan 0.000 0.453 233 R N -0.854 119.711 120.500 0.109 0.000 2.293 233 R HA -0.067 4.273 4.340 -0.000 0.000 0.219 233 R C 1.755 178.098 176.300 0.072 0.000 1.091 233 R CA 1.375 57.522 56.100 0.078 0.000 1.004 233 R CB 0.024 30.354 30.300 0.051 0.000 0.865 233 R HN 0.507 nan 8.270 nan 0.000 0.469 234 M N -1.831 117.810 119.600 0.069 0.000 2.741 234 M HA 0.080 4.560 4.480 -0.000 0.000 0.211 234 M C 1.703 178.017 176.300 0.022 0.000 1.811 234 M CA 0.121 55.457 55.300 0.059 0.000 1.185 234 M CB 0.128 32.774 32.600 0.077 0.000 1.320 234 M HN -0.017 nan 8.290 nan 0.000 0.583 235 L N 0.383 121.564 121.223 -0.069 0.000 2.240 235 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 235 L C 2.449 179.165 176.870 -0.256 0.000 1.106 235 L CA 1.121 55.864 54.840 -0.160 0.000 0.793 235 L CB -0.377 41.570 42.059 -0.187 0.000 0.927 235 L HN 0.461 nan 8.230 nan 0.000 0.446 236 Q N -0.259 119.355 119.800 -0.309 0.000 1.994 236 Q HA -0.185 4.155 4.340 -0.000 0.000 0.197 236 Q C 2.176 178.208 176.000 0.054 0.000 0.981 236 Q CA 0.743 56.441 55.803 -0.175 0.000 0.838 236 Q CB -0.393 28.243 28.738 -0.170 0.000 0.904 236 Q HN 0.421 nan 8.270 nan 0.000 0.460 237 W N 1.676 122.990 121.300 0.023 0.000 2.262 237 W HA -0.221 4.438 4.660 -0.000 0.000 0.331 237 W C -1.112 175.393 176.519 -0.024 0.000 1.315 237 W CA 2.398 59.771 57.345 0.046 0.000 1.302 237 W CB -1.670 27.835 29.460 0.074 0.000 1.128 237 W HN 0.304 nan 8.180 nan 0.000 0.482 238 P HA -0.179 nan 4.420 nan 0.000 0.217 238 P C 1.539 178.826 177.300 -0.022 0.000 1.148 238 P CA 2.295 65.462 63.100 0.111 0.000 0.828 238 P CB -0.304 31.462 31.700 0.111 0.000 0.783 239 K N -0.917 119.459 120.400 -0.040 0.000 2.418 239 K HA 0.013 4.333 4.320 -0.000 0.000 0.195 239 K C 1.438 177.970 176.600 -0.113 0.000 1.035 239 K CA 0.847 57.098 56.287 -0.061 0.000 1.003 239 K CB 0.113 32.589 32.500 -0.039 0.000 0.793 239 K HN 0.231 nan 8.250 nan 0.000 0.494 240 E N 0.154 120.234 120.200 -0.200 0.000 2.134 240 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 240 E C 0.133 176.466 176.600 -0.444 0.000 0.937 240 E CA 0.224 56.445 56.400 -0.299 0.000 0.874 240 E CB 0.214 29.708 29.700 -0.343 0.000 0.853 240 E HN 0.025 nan 8.360 nan 0.000 0.471 241 Q N -0.301 119.072 119.800 -0.712 0.000 2.493 241 Q HA -0.119 4.221 4.340 -0.000 0.000 0.278 241 Q C -2.340 173.216 176.000 -0.739 0.000 1.216 241 Q CA 0.510 55.898 55.803 -0.692 0.000 0.875 241 Q CB -2.725 25.827 28.738 -0.310 0.000 1.262 241 Q HN 0.275 nan 8.270 nan 0.000 0.468 242 P HA 0.050 nan 4.420 nan 0.000 0.271 242 P C 0.458 177.393 177.300 -0.607 0.000 1.244 242 P CA -0.418 62.110 63.100 -0.954 0.000 0.793 242 P CB 0.140 30.898 31.700 -1.571 0.000 0.984 243 F N -0.853 118.807 119.950 -0.484 0.000 2.871 243 F HA -0.231 4.296 4.527 -0.000 0.000 0.226 243 F C 0.868 176.487 175.800 -0.302 0.000 1.026 243 F CA 0.532 58.300 58.000 -0.387 0.000 0.828 243 F CB -2.084 36.564 39.000 -0.587 0.000 0.683 243 F HN 0.635 nan 8.300 nan 0.000 0.831 244 G N 0.586 109.355 108.800 -0.052 0.000 2.492 244 G HA2 0.017 3.977 3.960 -0.000 0.000 0.283 244 G HA3 0.017 3.977 3.960 -0.000 0.000 0.283 244 G C -0.693 174.174 174.900 -0.056 0.000 1.274 244 G CA -1.185 43.896 45.100 -0.032 0.000 1.215 244 G HN 0.110 nan 8.290 nan 0.000 0.598 245 E N 0.656 120.818 120.200 -0.064 0.000 2.415 245 E HA 0.411 4.761 4.350 -0.000 0.000 0.263 245 E C 1.456 178.040 176.600 -0.027 0.000 0.995 245 E CA 1.160 57.518 56.400 -0.069 0.000 0.915 245 E CB 1.131 30.795 29.700 -0.059 0.000 0.951 245 E HN 1.895 nan 8.360 nan 0.000 0.449 246 G N 2.300 111.088 108.800 -0.019 0.000 2.187 246 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.261 246 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.261 246 G C 0.276 175.206 174.900 0.051 0.000 1.000 246 G CA 0.399 45.509 45.100 0.016 0.000 0.718 246 G HN 0.358 nan 8.290 nan 0.000 0.519 247 V N 2.464 122.425 119.914 0.079 0.000 2.204 247 V HA 0.298 4.417 4.120 -0.000 0.000 0.264 247 V C -1.436 174.810 176.094 0.254 0.000 1.106 247 V CA -1.253 61.121 62.300 0.123 0.000 0.947 247 V CB 1.114 32.995 31.823 0.097 0.000 1.164 247 V HN 0.291 nan 8.190 nan 0.000 0.461 248 P HA 0.034 nan 4.420 nan 0.000 0.263 248 P C 0.087 177.400 177.300 0.022 0.000 1.276 248 P CA -0.197 63.044 63.100 0.234 0.000 0.986 248 P CB 0.878 32.646 31.700 0.114 0.000 1.105 249 L N 3.343 124.512 121.223 -0.091 0.000 2.613 249 L HA -0.048 4.292 4.340 -0.000 0.000 0.304 249 L C 0.308 177.044 176.870 -0.223 0.000 1.266 249 L CA 1.142 55.844 54.840 -0.229 0.000 0.868 249 L CB -0.183 41.473 42.059 -0.671 0.000 1.111 249 L HN 0.351 nan 8.230 nan 0.000 0.515 250 D N 2.616 122.960 120.400 -0.094 0.000 2.217 250 D HA 0.265 4.905 4.640 -0.000 0.000 0.243 250 D C 0.972 177.231 176.300 -0.068 0.000 1.054 250 D CA 0.291 54.247 54.000 -0.074 0.000 0.838 250 D CB 1.918 42.705 40.800 -0.023 0.000 1.162 250 D HN 0.749 nan 8.370 nan 0.000 0.472 251 G N 3.103 111.853 108.800 -0.083 0.000 2.517 251 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.222 251 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.222 251 G C 0.892 175.770 174.900 -0.036 0.000 1.109 251 G CA 0.531 45.590 45.100 -0.067 0.000 0.746 251 G HN 0.572 nan 8.290 nan 0.000 0.576 252 D N 0.294 120.680 120.400 -0.023 0.000 2.349 252 D HA 0.008 4.647 4.640 -0.000 0.000 0.224 252 D C 0.050 176.357 176.300 0.011 0.000 1.029 252 D CA 0.286 54.281 54.000 -0.007 0.000 0.879 252 D CB 0.286 41.082 40.800 -0.007 0.000 0.906 252 D HN 0.173 nan 8.370 nan 0.000 0.528 253 D N 1.326 121.737 120.400 0.020 0.000 2.479 253 D HA 0.071 4.710 4.640 -0.000 0.000 0.218 253 D C -1.386 174.941 176.300 0.045 0.000 1.131 253 D CA -2.207 51.814 54.000 0.034 0.000 0.916 253 D CB 1.369 42.216 40.800 0.078 0.000 1.022 253 D HN -0.025 nan 8.370 nan 0.000 0.515 254 P HA -0.153 nan 4.420 nan 0.000 0.226 254 P C 0.988 178.338 177.300 0.082 0.000 1.146 254 P CA 0.729 63.891 63.100 0.104 0.000 0.773 254 P CB 0.616 32.372 31.700 0.093 0.000 0.772 255 E N -0.273 119.910 120.200 -0.029 0.000 2.042 255 E HA -0.145 4.205 4.350 -0.000 0.000 0.189 255 E C 1.595 178.216 176.600 0.034 0.000 0.974 255 E CA 0.599 56.941 56.400 -0.098 0.000 0.806 255 E CB -0.182 29.309 29.700 -0.348 0.000 0.769 255 E HN 0.304 nan 8.360 nan 0.000 0.451 256 H N 0.097 119.335 119.070 0.280 0.000 2.539 256 H HA 0.081 4.637 4.556 -0.000 0.000 0.267 256 H C 1.859 177.383 175.328 0.326 0.000 0.982 256 H CA 0.333 56.604 56.048 0.371 0.000 1.146 256 H CB 0.237 30.227 29.762 0.381 0.000 1.382 256 H HN 0.303 nan 8.280 nan 0.000 0.577 257 I N 1.600 122.365 120.570 0.326 0.000 2.584 257 I HA -0.215 3.955 4.170 -0.000 0.000 0.255 257 I C 2.220 178.572 176.117 0.392 0.000 1.145 257 I CA 0.609 62.076 61.300 0.277 0.000 1.462 257 I CB 0.211 38.312 38.000 0.169 0.000 1.102 257 I HN 0.119 nan 8.210 nan 0.000 0.433 258 Q N -0.024 120.042 119.800 0.443 0.000 2.364 258 Q HA -0.257 4.083 4.340 -0.000 0.000 0.209 258 Q C 1.676 177.973 176.000 0.494 0.000 0.977 258 Q CA 1.553 57.647 55.803 0.485 0.000 0.885 258 Q CB -1.158 27.774 28.738 0.322 0.000 0.941 258 Q HN 0.684 nan 8.270 nan 0.000 0.464 259 W N 1.211 122.689 121.300 0.297 0.000 2.380 259 W HA 0.016 4.676 4.660 -0.000 0.000 0.317 259 W C 1.614 178.262 176.519 0.214 0.000 1.196 259 W CA 1.491 58.972 57.345 0.228 0.000 1.307 259 W CB -0.350 29.225 29.460 0.192 0.000 1.157 259 W HN 0.129 nan 8.180 nan 0.000 0.483 260 I N 0.387 121.121 120.570 0.274 0.000 2.236 260 I HA -0.360 3.810 4.170 -0.000 0.000 0.249 260 I C 2.441 178.563 176.117 0.008 0.000 1.102 260 I CA 1.748 63.058 61.300 0.018 0.000 1.365 260 I CB -0.964 37.146 38.000 0.182 0.000 1.051 260 I HN 0.055 nan 8.210 nan 0.000 0.420 261 F N 1.790 121.748 119.950 0.013 0.000 2.026 261 F HA -0.297 4.230 4.527 -0.000 0.000 0.296 261 F C 2.670 178.449 175.800 -0.035 0.000 1.133 261 F CA 2.190 60.212 58.000 0.036 0.000 1.188 261 F CB -0.838 38.262 39.000 0.166 0.000 0.968 261 F HN 0.034 nan 8.300 nan 0.000 0.476 262 Q N -0.136 119.494 119.800 -0.284 0.000 2.291 262 Q HA -0.227 4.113 4.340 -0.000 0.000 0.205 262 Q C 1.832 177.597 176.000 -0.391 0.000 0.970 262 Q CA 1.403 56.957 55.803 -0.415 0.000 0.876 262 Q CB -0.132 28.500 28.738 -0.177 0.000 0.935 262 Q HN 0.290 nan 8.270 nan 0.000 0.455 263 K N -0.718 119.384 120.400 -0.497 0.000 2.400 263 K HA 0.065 4.385 4.320 -0.000 0.000 0.194 263 K C 1.487 177.898 176.600 -0.314 0.000 1.033 263 K CA 0.815 56.755 56.287 -0.579 0.000 1.021 263 K CB 0.121 31.886 32.500 -1.225 0.000 0.808 263 K HN 0.058 nan 8.250 nan 0.000 0.505 264 S N -0.861 114.701 115.700 -0.230 0.000 2.506 264 S HA 0.107 4.577 4.470 -0.000 0.000 0.219 264 S C 1.195 175.729 174.600 -0.110 0.000 1.031 264 S CA -0.156 57.985 58.200 -0.099 0.000 0.911 264 S CB -0.053 63.139 63.200 -0.012 0.000 0.812 264 S HN 0.280 nan 8.310 nan 0.000 0.497 265 L N 1.996 123.073 121.223 -0.244 0.000 2.395 265 L HA 0.321 4.661 4.340 -0.000 0.000 0.218 265 L C 1.793 178.560 176.870 -0.172 0.000 1.130 265 L CA 1.653 56.330 54.840 -0.272 0.000 0.826 265 L CB -0.373 41.319 42.059 -0.613 0.000 0.941 265 L HN 0.285 nan 8.230 nan 0.000 0.451 266 E N -0.984 119.122 120.200 -0.157 0.000 2.102 266 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 266 E C 2.085 178.659 176.600 -0.043 0.000 0.971 266 E CA 0.300 56.641 56.400 -0.100 0.000 0.821 266 E CB -0.053 29.583 29.700 -0.106 0.000 0.777 266 E HN 0.349 nan 8.360 nan 0.000 0.460 267 R N 0.834 121.324 120.500 -0.016 0.000 2.115 267 R HA -0.058 4.281 4.340 -0.000 0.000 0.230 267 R C 2.106 178.488 176.300 0.136 0.000 1.111 267 R CA 1.091 57.233 56.100 0.071 0.000 0.976 267 R CB -0.086 30.277 30.300 0.105 0.000 0.870 267 R HN 0.096 nan 8.270 nan 0.000 0.445 268 A N -0.476 122.386 122.820 0.070 0.000 2.067 268 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 268 A C 2.000 179.623 177.584 0.065 0.000 1.158 268 A CA 1.524 53.610 52.037 0.082 0.000 0.661 268 A CB -0.338 18.681 19.000 0.033 0.000 0.801 268 A HN 0.380 nan 8.150 nan 0.000 0.452 269 S N -1.122 114.590 115.700 0.020 0.000 2.436 269 S HA -0.129 4.340 4.470 -0.000 0.000 0.228 269 S C 2.070 176.658 174.600 -0.020 0.000 1.014 269 S CA 1.205 59.402 58.200 -0.005 0.000 0.950 269 S CB -0.274 62.909 63.200 -0.030 0.000 0.784 269 S HN 0.710 nan 8.310 nan 0.000 0.504 270 Q N -0.971 118.813 119.800 -0.027 0.000 2.137 270 Q HA -0.038 4.302 4.340 -0.000 0.000 0.198 270 Q C 0.556 176.410 176.000 -0.242 0.000 0.960 270 Q CA 1.225 56.937 55.803 -0.151 0.000 0.847 270 Q CB -0.023 28.593 28.738 -0.202 0.000 0.915 270 Q HN 0.751 nan 8.270 nan 0.000 0.448 271 Y N 0.166 120.446 120.300 -0.033 0.000 2.507 271 Y HA 0.237 4.787 4.550 -0.000 0.000 0.254 271 Y C 0.148 176.036 175.900 -0.019 0.000 1.171 271 Y CA -0.296 57.787 58.100 -0.029 0.000 1.238 271 Y CB 0.664 39.105 38.460 -0.033 0.000 1.148 271 Y HN 0.149 nan 8.280 nan 0.000 0.525 272 N N 0.132 118.888 118.700 0.094 0.000 2.713 272 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 272 N C -0.343 175.206 175.510 0.065 0.000 1.117 272 N CA 0.914 53.999 53.050 0.058 0.000 0.770 272 N CB -1.592 36.920 38.487 0.041 0.000 1.137 272 N HN 0.398 nan 8.380 nan 0.000 0.566 273 I N 2.179 122.801 120.570 0.086 0.000 2.593 273 I HA -0.045 4.125 4.170 -0.000 0.000 0.304 273 I C 1.298 177.439 176.117 0.040 0.000 1.176 273 I CA 0.097 61.430 61.300 0.056 0.000 1.533 273 I CB -0.009 38.018 38.000 0.044 0.000 1.492 273 I HN -0.133 nan 8.210 nan 0.000 0.704 274 R N 3.935 124.456 120.500 0.035 0.000 2.973 274 R HA -0.005 4.335 4.340 -0.000 0.000 0.277 274 R C 0.814 177.135 176.300 0.036 0.000 1.000 274 R CA 0.568 56.687 56.100 0.033 0.000 1.175 274 R CB -0.166 30.152 30.300 0.029 0.000 1.113 274 R HN 0.836 nan 8.270 nan 0.000 0.495 275 G N -0.307 108.519 108.800 0.044 0.000 2.527 275 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.183 275 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.183 275 G C -0.583 174.360 174.900 0.071 0.000 0.167 275 G CA 0.009 45.143 45.100 0.057 0.000 1.085 275 G HN 0.343 nan 8.290 nan 0.000 0.502 276 V N 3.811 123.794 119.914 0.115 0.000 2.674 276 V HA 0.591 4.711 4.120 -0.000 0.000 0.279 276 V C 0.412 176.715 176.094 0.347 0.000 1.051 276 V CA -0.143 62.260 62.300 0.170 0.000 0.912 276 V CB 1.376 33.277 31.823 0.131 0.000 1.044 276 V HN 1.413 nan 8.190 nan 0.000 0.464 277 T N 0.177 114.890 114.554 0.265 0.000 2.919 277 T HA 0.507 4.857 4.350 -0.000 0.000 0.282 277 T C 0.789 175.386 174.700 -0.172 0.000 1.020 277 T CA -0.331 61.886 62.100 0.196 0.000 0.994 277 T CB 1.693 70.602 68.868 0.068 0.000 1.180 277 T HN 0.337 nan 8.240 nan 0.000 0.566 278 Y N 0.682 120.521 120.300 -0.768 0.000 2.163 278 Y HA 0.054 4.604 4.550 -0.000 0.000 0.288 278 Y C 2.958 178.664 175.900 -0.323 0.000 1.136 278 Y CA 1.645 59.245 58.100 -0.832 0.000 1.147 278 Y CB -0.316 37.714 38.460 -0.716 0.000 0.987 278 Y HN 0.680 nan 8.280 nan 0.000 0.509 279 R N -0.109 120.264 120.500 -0.210 0.000 2.133 279 R HA -0.232 4.108 4.340 -0.000 0.000 0.247 279 R C 2.160 178.342 176.300 -0.196 0.000 1.151 279 R CA 1.952 57.937 56.100 -0.193 0.000 0.971 279 R CB -0.648 29.614 30.300 -0.063 0.000 0.866 279 R HN 0.483 nan 8.270 nan 0.000 0.447 280 L N 0.416 121.560 121.223 -0.132 0.000 2.156 280 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 280 L C 1.825 178.642 176.870 -0.089 0.000 1.095 280 L CA 1.796 56.592 54.840 -0.075 0.000 0.770 280 L CB -0.441 41.614 42.059 -0.005 0.000 0.914 280 L HN 0.088 nan 8.230 nan 0.000 0.439 281 T N 0.436 114.908 114.554 -0.137 0.000 2.595 281 T HA -0.278 4.072 4.350 -0.000 0.000 0.264 281 T C 1.663 176.273 174.700 -0.149 0.000 1.058 281 T CA 2.042 64.082 62.100 -0.100 0.000 1.166 281 T CB -0.413 68.394 68.868 -0.102 0.000 0.863 281 T HN 0.659 nan 8.240 nan 0.000 0.415 282 Q N 0.993 120.619 119.800 -0.289 0.000 2.364 282 Q HA 0.038 4.377 4.340 -0.000 0.000 0.207 282 Q C 2.453 178.364 176.000 -0.147 0.000 0.970 282 Q CA 1.364 57.029 55.803 -0.230 0.000 0.888 282 Q CB -0.608 27.935 28.738 -0.324 0.000 0.951 282 Q HN 0.541 nan 8.270 nan 0.000 0.469 283 G N 1.290 110.009 108.800 -0.135 0.000 2.394 283 G HA2 -0.127 3.832 3.960 -0.000 0.000 0.215 283 G HA3 -0.127 3.832 3.960 -0.000 0.000 0.215 283 G C 1.476 176.339 174.900 -0.062 0.000 1.165 283 G CA 0.785 45.831 45.100 -0.089 0.000 0.784 283 G HN 0.250 nan 8.290 nan 0.000 0.535 284 V N 0.438 120.325 119.914 -0.045 0.000 2.788 284 V HA -0.049 4.071 4.120 -0.000 0.000 0.251 284 V C 2.839 178.922 176.094 -0.018 0.000 1.068 284 V CA 0.907 63.197 62.300 -0.016 0.000 1.090 284 V CB 0.275 32.121 31.823 0.038 0.000 0.710 284 V HN 0.225 nan 8.190 nan 0.000 0.467 285 V N 0.131 120.024 119.914 -0.035 0.000 2.302 285 V HA -0.136 3.984 4.120 -0.000 0.000 0.243 285 V C 2.208 178.270 176.094 -0.053 0.000 1.036 285 V CA 1.701 63.975 62.300 -0.042 0.000 1.020 285 V CB -0.587 31.201 31.823 -0.058 0.000 0.657 285 V HN 0.484 nan 8.190 nan 0.000 0.453 286 K N -0.360 120.003 120.400 -0.062 0.000 2.418 286 K HA 0.131 4.451 4.320 -0.000 0.000 0.195 286 K C 0.498 177.067 176.600 -0.051 0.000 1.035 286 K CA 0.002 56.254 56.287 -0.058 0.000 1.003 286 K CB 0.048 32.510 32.500 -0.063 0.000 0.793 286 K HN 0.273 nan 8.250 nan 0.000 0.494 287 R N 0.779 121.248 120.500 -0.053 0.000 3.531 287 R HA -0.168 4.172 4.340 -0.000 0.000 0.280 287 R C -0.303 175.967 176.300 -0.050 0.000 1.130 287 R CA 0.272 56.341 56.100 -0.053 0.000 0.757 287 R CB -2.437 27.833 30.300 -0.050 0.000 1.218 287 R HN 0.270 nan 8.270 nan 0.000 0.454 288 I N 0.911 121.449 120.570 -0.053 0.000 3.058 288 I HA -0.062 4.108 4.170 -0.000 0.000 0.299 288 I C 1.026 177.116 176.117 -0.045 0.000 1.238 288 I CA 1.015 62.285 61.300 -0.050 0.000 1.423 288 I CB 0.252 38.217 38.000 -0.059 0.000 1.330 288 I HN 0.216 nan 8.210 nan 0.000 0.589 289 I N 6.402 126.947 120.570 -0.042 0.000 2.512 289 I HA 0.389 4.559 4.170 -0.000 0.000 0.287 289 I C -2.340 173.748 176.117 -0.049 0.000 1.069 289 I CA -1.929 59.347 61.300 -0.040 0.000 1.056 289 I CB 1.975 39.955 38.000 -0.032 0.000 1.229 289 I HN 0.351 nan 8.210 nan 0.000 0.429 290 P HA 0.330 nan 4.420 nan 0.000 0.265 290 P C -1.283 175.952 177.300 -0.109 0.000 1.187 290 P CA -0.033 63.021 63.100 -0.078 0.000 0.766 290 P CB 0.581 32.237 31.700 -0.075 0.000 0.820 291 A N 1.366 124.107 122.820 -0.132 0.000 2.565 291 A HA 0.579 4.899 4.320 -0.000 0.000 0.298 291 A C -0.865 176.625 177.584 -0.156 0.000 1.062 291 A CA -0.506 51.441 52.037 -0.150 0.000 0.723 291 A CB 0.867 19.810 19.000 -0.095 0.000 1.282 291 A HN 0.374 nan 8.150 nan 0.000 0.400 292 V N -0.890 118.909 119.914 -0.191 0.000 3.126 292 V HA 0.920 5.040 4.120 -0.000 0.000 0.314 292 V C 1.189 177.224 176.094 -0.099 0.000 1.138 292 V CA -0.088 62.124 62.300 -0.146 0.000 1.034 292 V CB 1.005 32.713 31.823 -0.191 0.000 1.075 292 V HN 2.010 nan 8.190 nan 0.000 0.442 293 A N 1.173 123.956 122.820 -0.062 0.000 1.858 293 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 293 A C 2.364 179.906 177.584 -0.070 0.000 1.190 293 A CA 2.738 54.744 52.037 -0.052 0.000 0.617 293 A CB -1.281 17.694 19.000 -0.042 0.000 0.827 293 A HN 1.644 nan 8.150 nan 0.000 0.443 294 S N -0.316 115.353 115.700 -0.050 0.000 2.380 294 S HA -0.269 4.201 4.470 -0.000 0.000 0.229 294 S C 1.884 176.437 174.600 -0.079 0.000 1.050 294 S CA 2.343 60.519 58.200 -0.041 0.000 1.100 294 S CB -1.635 61.594 63.200 0.048 0.000 0.984 294 S HN 0.530 nan 8.310 nan 0.000 0.434 295 T N 2.952 117.475 114.554 -0.050 0.000 2.652 295 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 295 T C 1.872 176.483 174.700 -0.148 0.000 1.039 295 T CA 1.515 63.569 62.100 -0.078 0.000 1.153 295 T CB -0.706 68.147 68.868 -0.026 0.000 0.863 295 T HN 0.422 nan 8.240 nan 0.000 0.428 296 N N 1.352 119.985 118.700 -0.113 0.000 2.149 296 N HA -0.066 4.674 4.740 -0.000 0.000 0.188 296 N C 2.124 177.557 175.510 -0.128 0.000 1.019 296 N CA 1.381 54.367 53.050 -0.106 0.000 0.857 296 N CB -0.537 37.906 38.487 -0.073 0.000 0.997 296 N HN 0.442 nan 8.380 nan 0.000 0.426 297 A N 0.801 123.538 122.820 -0.138 0.000 1.877 297 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 297 A C 2.573 180.031 177.584 -0.209 0.000 1.186 297 A CA 1.367 53.308 52.037 -0.161 0.000 0.620 297 A CB -0.814 18.085 19.000 -0.167 0.000 0.822 297 A HN 0.106 nan 8.150 nan 0.000 0.443 298 V N 0.604 120.343 119.914 -0.291 0.000 2.287 298 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 298 V C 2.414 178.294 176.094 -0.358 0.000 1.053 298 V CA 1.892 63.934 62.300 -0.429 0.000 1.027 298 V CB -0.633 30.662 31.823 -0.880 0.000 0.646 298 V HN 0.528 nan 8.190 nan 0.000 0.447 299 I N 0.485 120.874 120.570 -0.303 0.000 2.394 299 I HA -0.128 4.042 4.170 -0.000 0.000 0.251 299 I C 2.616 178.639 176.117 -0.158 0.000 1.136 299 I CA 1.715 62.889 61.300 -0.210 0.000 1.425 299 I CB -1.629 36.276 38.000 -0.157 0.000 1.079 299 I HN 0.310 nan 8.210 nan 0.000 0.425 300 A N 0.824 123.559 122.820 -0.141 0.000 2.015 300 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 300 A C 2.556 180.071 177.584 -0.113 0.000 1.163 300 A CA 1.537 53.508 52.037 -0.110 0.000 0.646 300 A CB -0.472 18.477 19.000 -0.085 0.000 0.806 300 A HN 0.386 nan 8.150 nan 0.000 0.448 301 A N -0.497 122.240 122.820 -0.139 0.000 1.872 301 A HA 0.060 4.380 4.320 -0.000 0.000 0.214 301 A C 2.195 179.703 177.584 -0.128 0.000 1.187 301 A CA 1.583 53.539 52.037 -0.135 0.000 0.614 301 A CB -0.881 18.024 19.000 -0.158 0.000 0.826 301 A HN 0.332 nan 8.150 nan 0.000 0.442 302 V N -0.537 119.293 119.914 -0.142 0.000 2.287 302 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 302 V C 2.692 178.726 176.094 -0.100 0.000 1.053 302 V CA 2.145 64.372 62.300 -0.121 0.000 1.027 302 V CB -1.160 30.586 31.823 -0.128 0.000 0.646 302 V HN 0.712 nan 8.190 nan 0.000 0.447 303 C N 0.173 119.410 119.300 -0.105 0.000 2.413 303 C HA -0.113 4.347 4.460 -0.000 0.000 0.276 303 C C 3.109 178.057 174.990 -0.069 0.000 1.236 303 C CA 0.805 59.768 59.018 -0.092 0.000 1.735 303 C CB -1.411 26.268 27.740 -0.102 0.000 2.031 303 C HN 0.643 nan 8.230 nan 0.000 0.474 304 A N 0.317 123.097 122.820 -0.067 0.000 1.877 304 A HA -0.194 4.125 4.320 -0.000 0.000 0.216 304 A C 2.186 179.788 177.584 0.029 0.000 1.186 304 A CA 2.578 54.596 52.037 -0.033 0.000 0.620 304 A CB -1.202 17.777 19.000 -0.035 0.000 0.822 304 A HN 0.574 nan 8.150 nan 0.000 0.443 305 T N 0.049 114.591 114.554 -0.019 0.000 2.720 305 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 305 T C 1.795 176.539 174.700 0.073 0.000 1.037 305 T CA 1.562 63.652 62.100 -0.017 0.000 1.144 305 T CB -0.237 68.569 68.868 -0.102 0.000 0.864 305 T HN 0.462 nan 8.240 nan 0.000 0.444 306 E N 0.702 120.919 120.200 0.028 0.000 2.106 306 E HA -0.033 4.316 4.350 -0.000 0.000 0.192 306 E C 2.506 179.151 176.600 0.074 0.000 0.984 306 E CA 0.505 56.929 56.400 0.040 0.000 0.806 306 E CB -0.652 29.040 29.700 -0.014 0.000 0.750 306 E HN 0.324 nan 8.360 nan 0.000 0.458 307 V N 1.159 121.106 119.914 0.055 0.000 2.295 307 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 307 V C 2.161 178.372 176.094 0.196 0.000 1.049 307 V CA 1.827 64.148 62.300 0.034 0.000 1.024 307 V CB -0.619 31.132 31.823 -0.119 0.000 0.648 307 V HN 0.159 nan 8.190 nan 0.000 0.447 308 F N 1.052 121.107 119.950 0.175 0.000 2.095 308 F HA -0.211 4.315 4.527 -0.000 0.000 0.298 308 F C 2.466 178.370 175.800 0.173 0.000 1.104 308 F CA 1.981 60.144 58.000 0.272 0.000 1.232 308 F CB -0.194 38.911 39.000 0.175 0.000 0.987 308 F HN -0.006 nan 8.300 nan 0.000 0.475 309 K N 0.243 120.895 120.400 0.420 0.000 2.152 309 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 309 K C 1.964 178.647 176.600 0.138 0.000 1.048 309 K CA 1.879 58.356 56.287 0.318 0.000 0.933 309 K CB -0.307 32.343 32.500 0.249 0.000 0.721 309 K HN 0.402 nan 8.250 nan 0.000 0.447 310 I N 0.302 120.927 120.570 0.092 0.000 2.617 310 I HA -0.160 4.010 4.170 -0.000 0.000 0.256 310 I C 2.371 178.506 176.117 0.029 0.000 1.167 310 I CA 0.560 61.885 61.300 0.041 0.000 1.469 310 I CB -0.203 37.820 38.000 0.037 0.000 1.098 310 I HN 0.109 nan 8.210 nan 0.000 0.436 311 A N 1.023 123.855 122.820 0.019 0.000 1.874 311 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 311 A C 2.384 179.898 177.584 -0.116 0.000 1.189 311 A CA 1.935 53.967 52.037 -0.009 0.000 0.615 311 A CB -0.996 18.051 19.000 0.078 0.000 0.830 311 A HN 0.447 nan 8.150 nan 0.000 0.443 312 T N -3.727 110.655 114.554 -0.287 0.000 3.088 312 T HA 0.102 4.452 4.350 -0.000 0.000 0.259 312 T C 0.855 175.543 174.700 -0.019 0.000 1.122 312 T CA 1.136 63.062 62.100 -0.290 0.000 1.095 312 T CB -0.252 68.350 68.868 -0.443 0.000 0.930 312 T HN 1.112 nan 8.240 nan 0.000 0.508 313 S N -0.070 115.659 115.700 0.048 0.000 3.614 313 S HA -0.220 4.250 4.470 -0.000 0.000 0.360 313 S C 1.085 175.876 174.600 0.319 0.000 1.023 313 S CA 0.636 58.897 58.200 0.101 0.000 1.114 313 S CB -1.781 61.489 63.200 0.118 0.000 0.907 313 S HN 1.078 nan 8.310 nan 0.000 0.470 314 A N 0.548 123.622 122.820 0.423 0.000 1.909 314 A HA 0.473 4.793 4.320 -0.000 0.000 0.215 314 A C 0.724 178.441 177.584 0.221 0.000 1.392 314 A CA 1.073 53.537 52.037 0.713 0.000 0.599 314 A CB -0.519 19.007 19.000 0.877 0.000 1.029 314 A HN 0.712 nan 8.150 nan 0.000 0.480 315 Y N -0.805 119.603 120.300 0.180 0.000 2.378 315 Y HA 0.534 5.084 4.550 -0.000 0.000 0.351 315 Y C 0.538 176.485 175.900 0.078 0.000 1.351 315 Y CA -0.720 57.445 58.100 0.107 0.000 1.616 315 Y CB 0.188 38.712 38.460 0.106 0.000 1.622 315 Y HN 0.205 nan 8.280 nan 0.000 0.568 316 I N 2.560 123.287 120.570 0.261 0.000 2.365 316 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 316 I C -2.243 173.941 176.117 0.112 0.000 1.004 316 I CA -1.952 59.442 61.300 0.156 0.000 1.311 316 I CB 0.785 38.898 38.000 0.187 0.000 1.401 316 I HN 0.278 nan 8.210 nan 0.000 0.491 317 P HA -0.022 nan 4.420 nan 0.000 0.264 317 P C -0.341 176.981 177.300 0.037 0.000 1.183 317 P CA -0.412 62.711 63.100 0.039 0.000 0.763 317 P CB 0.355 32.064 31.700 0.015 0.000 0.807 318 L N 3.015 124.248 121.223 0.017 0.000 2.554 318 L HA -0.060 4.280 4.340 -0.000 0.000 0.293 318 L C 0.525 177.398 176.870 0.004 0.000 1.252 318 L CA 0.592 55.433 54.840 0.002 0.000 0.862 318 L CB -0.382 41.659 42.059 -0.031 0.000 1.113 318 L HN 0.248 nan 8.230 nan 0.000 0.510 319 N N 3.125 121.831 118.700 0.011 0.000 3.193 319 N HA 0.055 4.795 4.740 -0.000 0.000 0.312 319 N C 0.542 176.046 175.510 -0.010 0.000 1.261 319 N CA 0.858 53.919 53.050 0.019 0.000 1.208 319 N CB -0.785 37.729 38.487 0.045 0.000 1.471 319 N HN 0.786 nan 8.380 nan 0.000 0.548 320 N N -1.007 117.679 118.700 -0.023 0.000 2.758 320 N HA -0.312 4.428 4.740 -0.000 0.000 0.245 320 N C -0.856 174.600 175.510 -0.090 0.000 1.059 320 N CA 1.645 54.672 53.050 -0.039 0.000 0.900 320 N CB -1.843 36.653 38.487 0.016 0.000 1.145 320 N HN 0.520 nan 8.380 nan 0.000 0.590 321 Y N -0.935 119.166 120.300 -0.330 0.000 2.275 321 Y HA 0.465 5.015 4.550 -0.000 0.000 0.319 321 Y C -1.470 174.145 175.900 -0.474 0.000 1.204 321 Y CA -1.092 56.694 58.100 -0.523 0.000 1.136 321 Y CB 0.840 38.642 38.460 -1.096 0.000 1.228 321 Y HN 0.300 nan 8.280 nan 0.000 0.413 322 L N 6.333 127.429 121.223 -0.212 0.000 2.346 322 L HA 0.916 5.256 4.340 -0.000 0.000 0.274 322 L C -1.714 175.107 176.870 -0.081 0.000 1.007 322 L CA -0.794 53.984 54.840 -0.104 0.000 0.818 322 L CB 1.579 43.579 42.059 -0.098 0.000 1.284 322 L HN 0.423 nan 8.230 nan 0.000 0.424 323 V N 4.622 124.430 119.914 -0.175 0.000 2.555 323 V HA 0.473 4.593 4.120 -0.000 0.000 0.302 323 V C -0.933 175.093 176.094 -0.113 0.000 1.038 323 V CA -0.443 61.746 62.300 -0.184 0.000 0.887 323 V CB 1.734 33.231 31.823 -0.543 0.000 0.991 323 V HN 0.611 nan 8.190 nan 0.000 0.434 324 F N 5.090 124.935 119.950 -0.175 0.000 2.520 324 F HA 0.665 5.192 4.527 -0.000 0.000 0.322 324 F C -0.449 175.193 175.800 -0.263 0.000 1.103 324 F CA -0.355 57.522 58.000 -0.205 0.000 0.926 324 F CB 1.641 40.562 39.000 -0.133 0.000 1.154 324 F HN 0.466 nan 8.300 nan 0.000 0.453 325 N N 4.702 122.554 118.700 -1.413 0.000 2.454 325 N HA 0.159 4.899 4.740 -0.000 0.000 0.291 325 N C -1.103 173.713 175.510 -1.157 0.000 1.079 325 N CA -0.184 52.227 53.050 -1.066 0.000 0.893 325 N CB 1.829 39.718 38.487 -0.996 0.000 1.512 325 N HN 0.820 nan 8.380 nan 0.000 0.497 326 D N 2.678 122.706 120.400 -0.620 0.000 2.407 326 D HA 0.110 4.749 4.640 -0.000 0.000 0.208 326 D C 1.620 177.779 176.300 -0.234 0.000 1.083 326 D CA 0.315 54.115 54.000 -0.332 0.000 0.844 326 D CB 0.941 41.793 40.800 0.086 0.000 0.967 326 D HN 0.316 nan 8.370 nan 0.000 0.506 327 V N 0.508 120.307 119.914 -0.191 0.000 2.220 327 V HA -0.145 3.974 4.120 -0.000 0.000 0.246 327 V C 1.157 177.166 176.094 -0.143 0.000 1.049 327 V CA 1.449 63.641 62.300 -0.181 0.000 1.003 327 V CB -0.156 31.631 31.823 -0.061 0.000 0.634 327 V HN 0.165 nan 8.190 nan 0.000 0.444 328 D N -0.415 119.947 120.400 -0.064 0.000 2.477 328 D HA 0.453 5.093 4.640 -0.000 0.000 0.239 328 D C 0.399 176.702 176.300 0.004 0.000 1.102 328 D CA 0.981 54.966 54.000 -0.025 0.000 0.901 328 D CB 0.545 41.355 40.800 0.015 0.000 1.026 328 D HN 0.453 nan 8.370 nan 0.000 0.515 329 G N 2.243 111.027 108.800 -0.027 0.000 2.512 329 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.240 329 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.240 329 G C -1.178 173.708 174.900 -0.024 0.000 1.246 329 G CA -0.066 45.033 45.100 -0.002 0.000 0.919 329 G HN 0.683 nan 8.290 nan 0.000 0.577 330 L N 0.351 121.585 121.223 0.019 0.000 2.505 330 L HA 0.838 5.178 4.340 -0.000 0.000 0.266 330 L C -0.714 176.191 176.870 0.058 0.000 0.954 330 L CA -0.630 54.181 54.840 -0.049 0.000 0.852 330 L CB 1.779 43.844 42.059 0.010 0.000 1.282 330 L HN 1.720 nan 8.230 nan 0.000 0.403 331 Y N 1.225 121.416 120.300 -0.182 0.000 2.677 331 Y HA 0.848 5.398 4.550 -0.000 0.000 0.334 331 Y C -1.215 174.639 175.900 -0.076 0.000 1.196 331 Y CA -0.506 57.552 58.100 -0.070 0.000 1.059 331 Y CB 1.427 39.880 38.460 -0.011 0.000 1.315 331 Y HN 0.678 nan 8.280 nan 0.000 0.455 332 T N 0.303 115.049 114.554 0.320 0.000 2.916 332 T HA 0.752 5.102 4.350 -0.000 0.000 0.305 332 T C -1.727 173.209 174.700 0.394 0.000 1.119 332 T CA -0.602 61.650 62.100 0.253 0.000 1.008 332 T CB 1.979 70.978 68.868 0.219 0.000 1.129 332 T HN 1.481 nan 8.240 nan 0.000 0.480 333 Y N -1.218 119.250 120.300 0.281 0.000 2.544 333 Y HA 0.779 5.329 4.550 -0.000 0.000 0.342 333 Y C -1.079 174.956 175.900 0.224 0.000 1.062 333 Y CA -1.093 57.143 58.100 0.227 0.000 1.023 333 Y CB 1.217 39.808 38.460 0.218 0.000 1.308 333 Y HN 0.776 nan 8.280 nan 0.000 0.457 334 T N 4.821 119.605 114.554 0.383 0.000 2.912 334 T HA 0.761 5.111 4.350 -0.000 0.000 0.288 334 T C -1.378 173.564 174.700 0.403 0.000 1.030 334 T CA -0.489 61.762 62.100 0.252 0.000 1.020 334 T CB 1.213 70.154 68.868 0.122 0.000 1.056 334 T HN 0.715 nan 8.240 nan 0.000 0.480 335 F N -0.663 119.424 119.950 0.229 0.000 2.668 335 F HA 0.660 5.187 4.527 -0.000 0.000 0.309 335 F C -0.868 175.013 175.800 0.135 0.000 1.117 335 F CA -1.302 56.797 58.000 0.165 0.000 0.951 335 F CB 1.478 40.572 39.000 0.156 0.000 1.323 335 F HN 0.490 nan 8.300 nan 0.000 0.451 336 E N 2.332 122.753 120.200 0.369 0.000 2.046 336 E HA 0.579 4.928 4.350 -0.000 0.000 0.279 336 E C -0.490 176.320 176.600 0.351 0.000 0.989 336 E CA -0.786 55.750 56.400 0.227 0.000 0.798 336 E CB 1.169 30.964 29.700 0.158 0.000 1.086 336 E HN 0.982 nan 8.360 nan 0.000 0.399 337 A N 5.010 128.011 122.820 0.301 0.000 2.520 337 A HA 0.037 4.357 4.320 -0.000 0.000 0.245 337 A C 0.150 177.852 177.584 0.197 0.000 1.072 337 A CA -0.063 52.183 52.037 0.349 0.000 0.761 337 A CB 0.317 19.495 19.000 0.297 0.000 1.004 337 A HN 0.633 nan 8.150 nan 0.000 0.499 338 E N 1.476 121.767 120.200 0.152 0.000 2.289 338 E HA 0.056 4.406 4.350 -0.000 0.000 0.278 338 E C 0.306 176.960 176.600 0.089 0.000 1.032 338 E CA -0.306 56.154 56.400 0.100 0.000 0.854 338 E CB 0.806 30.547 29.700 0.068 0.000 1.046 338 E HN 0.600 nan 8.360 nan 0.000 0.409 339 R N 3.705 124.253 120.500 0.080 0.000 4.045 339 R HA -0.060 4.279 4.340 -0.000 0.000 0.174 339 R C 0.269 176.605 176.300 0.061 0.000 1.805 339 R CA 0.021 56.164 56.100 0.072 0.000 1.368 339 R CB -0.525 29.815 30.300 0.067 0.000 1.362 339 R HN 0.309 nan 8.270 nan 0.000 0.777 340 K N 2.962 123.398 120.400 0.061 0.000 2.196 340 K HA -0.153 4.167 4.320 -0.000 0.000 0.254 340 K C -0.578 176.049 176.600 0.046 0.000 1.303 340 K CA 0.594 56.911 56.287 0.050 0.000 1.306 340 K CB -0.002 32.528 32.500 0.050 0.000 0.803 340 K HN 0.442 nan 8.250 nan 0.000 0.469 341 E N 2.490 122.715 120.200 0.041 0.000 2.461 341 E HA -0.175 4.175 4.350 -0.000 0.000 0.263 341 E C 0.518 177.140 176.600 0.036 0.000 1.143 341 E CA 0.049 56.471 56.400 0.036 0.000 0.994 341 E CB 0.253 29.973 29.700 0.032 0.000 0.973 341 E HN 0.672 nan 8.360 nan 0.000 0.457 342 N N -0.076 118.641 118.700 0.029 0.000 2.818 342 N HA -0.188 4.552 4.740 -0.000 0.000 0.250 342 N C -0.980 174.554 175.510 0.039 0.000 1.108 342 N CA 0.412 53.482 53.050 0.033 0.000 0.745 342 N CB -1.478 37.037 38.487 0.046 0.000 1.104 342 N HN 0.491 nan 8.380 nan 0.000 0.557 343 C N 2.269 121.587 119.300 0.029 0.000 2.632 343 C HA 0.277 4.737 4.460 -0.000 0.000 0.415 343 C C -0.979 174.015 174.990 0.008 0.000 1.332 343 C CA -1.226 57.811 59.018 0.031 0.000 1.874 343 C CB 0.332 28.091 27.740 0.033 0.000 2.596 343 C HN 0.305 nan 8.230 nan 0.000 0.590 344 P HA 0.147 nan 4.420 nan 0.000 0.286 344 P C 0.218 177.486 177.300 -0.055 0.000 1.577 344 P CA 1.109 64.196 63.100 -0.021 0.000 0.805 344 P CB -0.071 31.671 31.700 0.070 0.000 1.706 345 A N -0.024 122.767 122.820 -0.048 0.000 1.869 345 A HA 0.003 4.323 4.320 -0.000 0.000 0.147 345 A C 1.544 179.106 177.584 -0.036 0.000 1.424 345 A CA 0.521 52.527 52.037 -0.051 0.000 1.956 345 A CB -0.797 18.185 19.000 -0.030 0.000 1.927 345 A HN 0.330 nan 8.150 nan 0.000 1.065 346 C N 2.594 121.891 119.300 -0.005 0.000 2.546 346 C HA 0.501 4.961 4.460 -0.000 0.000 0.275 346 C C 1.021 176.027 174.990 0.026 0.000 1.393 346 C CA 0.206 59.239 59.018 0.025 0.000 1.703 346 C CB -2.246 25.521 27.740 0.045 0.000 1.710 346 C HN 0.753 nan 8.230 nan 0.000 0.581 347 S N 1.426 117.116 115.700 -0.018 0.000 2.420 347 S HA 0.336 4.806 4.470 -0.000 0.000 0.313 347 S C 0.652 175.185 174.600 -0.111 0.000 1.079 347 S CA -0.208 57.967 58.200 -0.042 0.000 1.104 347 S CB 0.966 64.148 63.200 -0.031 0.000 0.969 347 S HN 0.690 nan 8.310 nan 0.000 0.471 348 Q N 4.123 123.805 119.800 -0.197 0.000 2.283 348 Q HA 0.181 4.521 4.340 -0.000 0.000 0.223 348 Q C -0.719 175.152 176.000 -0.215 0.000 0.918 348 Q CA 0.187 55.803 55.803 -0.311 0.000 0.952 348 Q CB -0.747 27.567 28.738 -0.707 0.000 1.030 348 Q HN 0.800 nan 8.270 nan 0.000 0.452 349 L N 1.839 122.979 121.223 -0.140 0.000 2.415 349 L HA 0.452 4.791 4.340 -0.000 0.000 0.268 349 L C -2.273 174.546 176.870 -0.085 0.000 0.984 349 L CA -2.088 52.693 54.840 -0.098 0.000 0.853 349 L CB 1.750 43.769 42.059 -0.067 0.000 1.215 349 L HN -0.033 nan 8.230 nan 0.000 0.419 350 P HA -0.063 nan 4.420 nan 0.000 0.269 350 P C -0.738 176.532 177.300 -0.051 0.000 1.185 350 P CA 0.317 63.361 63.100 -0.094 0.000 0.769 350 P CB 0.468 32.128 31.700 -0.067 0.000 0.809 351 Q N 1.543 121.312 119.800 -0.053 0.000 2.227 351 Q HA 0.320 4.660 4.340 -0.000 0.000 0.245 351 Q C -0.308 175.793 176.000 0.168 0.000 0.926 351 Q CA -0.582 55.270 55.803 0.082 0.000 0.895 351 Q CB 0.990 29.834 28.738 0.177 0.000 1.230 351 Q HN 0.382 nan 8.270 nan 0.000 0.450 352 N N 2.558 121.349 118.700 0.152 0.000 2.511 352 N HA 0.435 5.174 4.740 -0.000 0.000 0.249 352 N C -0.984 174.596 175.510 0.116 0.000 0.971 352 N CA -0.046 53.075 53.050 0.119 0.000 0.938 352 N CB 1.141 39.667 38.487 0.064 0.000 1.131 352 N HN 0.434 nan 8.380 nan 0.000 0.505 353 I N 0.830 121.464 120.570 0.107 0.000 2.689 353 I HA 0.302 4.472 4.170 -0.000 0.000 0.299 353 I C 0.369 176.433 176.117 -0.087 0.000 1.059 353 I CA -0.581 60.715 61.300 -0.006 0.000 1.055 353 I CB 2.159 40.132 38.000 -0.046 0.000 1.243 353 I HN 0.495 nan 8.210 nan 0.000 0.425 362 Q N 1.225 121.031 119.800 0.010 0.000 2.439 362 Q HA -0.147 4.193 4.340 -0.000 0.000 0.211 362 Q C 1.083 177.093 176.000 0.016 0.000 0.978 362 Q CA 1.362 57.173 55.803 0.014 0.000 0.897 362 Q CB 0.141 28.886 28.738 0.012 0.000 0.956 362 Q HN 0.551 nan 8.270 nan 0.000 0.483 363 E N -0.513 119.693 120.200 0.010 0.000 2.364 363 E HA -0.023 4.327 4.350 -0.000 0.000 0.196 363 E C 1.842 178.454 176.600 0.020 0.000 0.990 363 E CA 0.208 56.614 56.400 0.010 0.000 0.886 363 E CB 0.553 30.248 29.700 -0.008 0.000 0.866 363 E HN 0.089 nan 8.360 nan 0.000 0.493 364 V N 1.687 121.608 119.914 0.012 0.000 2.346 364 V HA -0.181 3.939 4.120 -0.000 0.000 0.244 364 V C 2.286 178.418 176.094 0.064 0.000 1.037 364 V CA 1.187 63.499 62.300 0.020 0.000 1.029 364 V CB -0.274 31.545 31.823 -0.006 0.000 0.663 364 V HN 0.262 nan 8.190 nan 0.000 0.454 365 L N 0.457 121.704 121.223 0.040 0.000 2.201 365 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 365 L C 2.166 179.059 176.870 0.039 0.000 1.105 365 L CA 2.003 56.864 54.840 0.035 0.000 0.775 365 L CB -0.308 41.768 42.059 0.029 0.000 0.913 365 L HN 0.453 nan 8.230 nan 0.000 0.440 366 D N -1.378 119.053 120.400 0.052 0.000 2.178 366 D HA -0.294 4.346 4.640 -0.000 0.000 0.202 366 D C 1.906 178.257 176.300 0.085 0.000 0.974 366 D CA 1.258 55.291 54.000 0.054 0.000 0.841 366 D CB -0.095 40.734 40.800 0.050 0.000 0.953 366 D HN 0.498 nan 8.370 nan 0.000 0.478 367 Y N 0.934 121.204 120.300 -0.051 0.000 2.130 367 Y HA 0.038 4.588 4.550 -0.000 0.000 0.287 367 Y C 1.810 177.668 175.900 -0.070 0.000 1.124 367 Y CA 1.392 59.450 58.100 -0.069 0.000 1.118 367 Y CB -0.573 37.820 38.460 -0.110 0.000 0.994 367 Y HN -0.037 nan 8.280 nan 0.000 0.497 368 L N -0.256 120.845 121.223 -0.204 0.000 2.447 368 L HA -0.171 4.168 4.340 -0.000 0.000 0.225 368 L C 1.598 178.378 176.870 -0.149 0.000 1.148 368 L CA 1.561 56.234 54.840 -0.277 0.000 0.808 368 L CB -0.703 41.285 42.059 -0.119 0.000 0.928 368 L HN 0.290 nan 8.230 nan 0.000 0.448 369 T N -1.893 112.608 114.554 -0.089 0.000 3.014 369 T HA 0.110 4.459 4.350 -0.000 0.000 0.250 369 T C 1.250 175.926 174.700 -0.042 0.000 1.060 369 T CA 0.231 62.306 62.100 -0.042 0.000 1.040 369 T CB 0.168 69.032 68.868 -0.005 0.000 0.971 369 T HN 0.264 nan 8.240 nan 0.000 0.497 370 N N 0.707 119.371 118.700 -0.060 0.000 2.194 370 N HA 0.212 4.952 4.740 -0.000 0.000 0.231 370 N C 0.528 176.002 175.510 -0.059 0.000 1.247 370 N CA -0.010 53.019 53.050 -0.034 0.000 0.884 370 N CB 0.962 39.452 38.487 0.005 0.000 1.146 370 N HN 0.167 nan 8.380 nan 0.000 0.516 371 S N 0.338 115.941 115.700 -0.161 0.000 2.463 371 S HA 0.461 4.931 4.470 -0.000 0.000 0.241 371 S C 1.044 175.594 174.600 -0.085 0.000 1.299 371 S CA 0.714 58.803 58.200 -0.185 0.000 0.979 371 S CB 0.574 63.499 63.200 -0.458 0.000 0.950 371 S HN 0.282 nan 8.310 nan 0.000 0.516 372 A N -0.721 122.059 122.820 -0.066 0.000 2.733 372 A HA 0.467 4.787 4.320 -0.000 0.000 0.232 372 A C 1.015 178.595 177.584 -0.006 0.000 1.251 372 A CA 0.148 52.173 52.037 -0.020 0.000 1.015 372 A CB 0.036 19.035 19.000 -0.001 0.000 1.291 372 A HN 0.474 nan 8.150 nan 0.000 0.595 373 S N -0.642 115.046 115.700 -0.020 0.000 2.632 373 S HA 0.303 4.773 4.470 -0.000 0.000 0.237 373 S C 0.825 175.437 174.600 0.020 0.000 1.037 373 S CA 0.281 58.490 58.200 0.015 0.000 1.009 373 S CB 0.270 63.492 63.200 0.038 0.000 0.974 373 S HN 0.260 nan 8.310 nan 0.000 0.544 374 L N 0.546 121.755 121.223 -0.023 0.000 2.678 374 L HA 0.359 4.699 4.340 -0.000 0.000 0.211 374 L C 0.456 177.320 176.870 -0.010 0.000 1.043 374 L CA 0.606 55.446 54.840 -0.001 0.000 0.881 374 L CB -0.880 41.162 42.059 -0.028 0.000 1.361 374 L HN 0.055 nan 8.230 nan 0.000 0.484 375 Q N 0.512 120.281 119.800 -0.051 0.000 2.411 375 Q HA -0.245 4.095 4.340 -0.000 0.000 0.305 375 Q C 0.259 176.256 176.000 -0.005 0.000 1.273 375 Q CA 0.448 56.234 55.803 -0.028 0.000 0.895 375 Q CB -1.508 27.231 28.738 0.001 0.000 1.198 375 Q HN 0.454 nan 8.270 nan 0.000 0.470 376 M N -0.495 119.100 119.600 -0.009 0.000 1.712 376 M HA 0.038 4.518 4.480 -0.000 0.000 0.155 376 M C 1.326 177.636 176.300 0.017 0.000 1.239 376 M CA 1.016 56.326 55.300 0.018 0.000 0.705 376 M CB 0.277 32.894 32.600 0.029 0.000 1.049 376 M HN 0.127 nan 8.290 nan 0.000 0.336 377 K N -0.324 120.093 120.400 0.028 0.000 4.355 377 K HA 0.181 4.500 4.320 -0.000 0.000 0.265 377 K C -0.063 176.554 176.600 0.029 0.000 1.289 377 K CA 0.014 56.318 56.287 0.027 0.000 1.755 377 K CB 0.251 32.770 32.500 0.032 0.000 2.770 377 K HN 0.693 nan 8.250 nan 0.000 0.626 378 S N 3.306 119.027 115.700 0.035 0.000 2.464 378 S HA 0.379 4.849 4.470 -0.000 0.000 0.313 378 S C -2.610 172.015 174.600 0.042 0.000 1.078 378 S CA -1.356 56.865 58.200 0.035 0.000 1.096 378 S CB 0.680 63.899 63.200 0.032 0.000 1.032 378 S HN 0.005 nan 8.310 nan 0.000 0.498 379 P HA 0.257 nan 4.420 nan 0.000 0.273 379 P C -0.231 177.101 177.300 0.053 0.000 1.252 379 P CA -0.178 62.955 63.100 0.055 0.000 0.809 379 P CB 0.324 32.056 31.700 0.054 0.000 1.017 380 A N 0.534 123.390 122.820 0.060 0.000 3.339 380 A HA 0.318 4.638 4.320 -0.000 0.000 0.219 380 A C -0.011 177.608 177.584 0.057 0.000 0.974 380 A CA -0.372 51.697 52.037 0.053 0.000 1.050 380 A CB -0.732 18.298 19.000 0.050 0.000 1.271 380 A HN 0.347 nan 8.150 nan 0.000 0.565 381 I N 1.155 121.761 120.570 0.061 0.000 2.710 381 I HA 0.246 4.416 4.170 -0.000 0.000 0.286 381 I C 0.664 176.811 176.117 0.051 0.000 1.181 381 I CA 0.895 62.235 61.300 0.066 0.000 1.430 381 I CB 0.744 38.781 38.000 0.061 0.000 1.367 381 I HN 0.354 nan 8.210 nan 0.000 0.577 390 R N -0.416 120.095 120.500 0.018 0.000 2.900 390 R HA 0.936 5.275 4.340 -0.000 0.000 0.198 390 R C 1.199 177.512 176.300 0.021 0.000 1.053 390 R CA 1.531 57.642 56.100 0.019 0.000 1.132 390 R CB -1.156 29.157 30.300 0.021 0.000 1.041 390 R HN 2.025 nan 8.270 nan 0.000 0.499 391 T N -3.215 111.353 114.554 0.023 0.000 5.011 391 T HA 0.545 4.895 4.350 -0.000 0.000 0.146 391 T C 1.147 175.861 174.700 0.024 0.000 0.520 391 T CA 0.885 62.999 62.100 0.025 0.000 0.607 391 T CB -1.833 67.048 68.868 0.022 0.000 0.856 391 T HN 1.934 nan 8.240 nan 0.000 0.335 392 L N -0.950 120.288 121.223 0.025 0.000 2.261 392 L HA 0.508 4.848 4.340 -0.000 0.000 0.216 392 L C 1.836 178.720 176.870 0.023 0.000 1.114 392 L CA 2.613 57.467 54.840 0.022 0.000 0.777 392 L CB -1.515 40.557 42.059 0.023 0.000 0.910 392 L HN 1.981 nan 8.230 nan 0.000 0.440 393 Y N -2.141 118.175 120.300 0.026 0.000 2.721 393 Y HA 0.728 5.278 4.550 -0.000 0.000 0.284 393 Y C -0.036 175.881 175.900 0.029 0.000 0.976 393 Y CA -0.582 57.534 58.100 0.026 0.000 1.142 393 Y CB -0.824 37.652 38.460 0.027 0.000 1.168 393 Y HN 1.214 nan 8.280 nan 0.000 0.615 394 L N 0.158 121.397 121.223 0.026 0.000 2.399 394 L HA 1.046 5.385 4.340 -0.000 0.000 0.266 394 L C -0.032 176.853 176.870 0.024 0.000 1.114 394 L CA -0.449 54.407 54.840 0.027 0.000 0.804 394 L CB 0.688 42.762 42.059 0.025 0.000 1.146 394 L HN 2.049 nan 8.230 nan 0.000 0.451 395 Q N 0.707 120.522 119.800 0.026 0.000 2.503 395 Q HA 0.800 5.140 4.340 -0.000 0.000 0.268 395 Q C -0.366 175.648 176.000 0.024 0.000 0.982 395 Q CA 0.159 55.976 55.803 0.023 0.000 0.907 395 Q CB 0.405 29.157 28.738 0.023 0.000 1.467 395 Q HN 2.736 nan 8.270 nan 0.000 0.394 399 S N 1.329 117.034 115.700 0.010 0.000 2.359 399 S HA 0.244 4.714 4.470 -0.000 0.000 0.222 399 S C 2.660 177.267 174.600 0.010 0.000 1.038 399 S CA 3.585 61.790 58.200 0.009 0.000 1.051 399 S CB -1.476 61.729 63.200 0.008 0.000 0.944 399 S HN 1.683 nan 8.310 nan 0.000 0.433 400 I N 1.358 121.935 120.570 0.012 0.000 2.118 400 I HA 0.222 4.391 4.170 -0.000 0.000 0.241 400 I C 1.891 178.016 176.117 0.014 0.000 1.070 400 I CA 2.410 63.718 61.300 0.013 0.000 1.327 400 I CB -2.349 35.661 38.000 0.016 0.000 1.034 400 I HN 0.860 nan 8.210 nan 0.000 0.405 426 A N 1.223 124.089 122.820 0.077 0.000 2.512 426 A HA 0.800 5.120 4.320 -0.000 0.000 0.294 426 A C -1.614 176.008 177.584 0.064 0.000 1.054 426 A CA -0.259 51.811 52.037 0.054 0.000 0.756 426 A CB 1.774 20.802 19.000 0.046 0.000 1.293 426 A HN 0.837 nan 8.150 nan 0.000 0.395 427 D N 0.959 121.397 120.400 0.063 0.000 2.566 427 D HA 0.478 5.117 4.640 -0.000 0.000 0.254 427 D C 0.780 177.137 176.300 0.094 0.000 1.090 427 D CA -0.368 53.674 54.000 0.071 0.000 1.034 427 D CB 2.387 43.227 40.800 0.067 0.000 1.434 427 D HN 0.224 nan 8.370 nan 0.000 0.509 428 V N 0.641 120.615 119.914 0.099 0.000 3.305 428 V HA -0.051 4.069 4.120 -0.000 0.000 0.269 428 V C 1.773 177.990 176.094 0.205 0.000 1.157 428 V CA 1.442 63.823 62.300 0.135 0.000 1.157 428 V CB -0.364 31.509 31.823 0.082 0.000 0.772 428 V HN 0.562 nan 8.190 nan 0.000 0.498 429 T N -0.125 114.521 114.554 0.152 0.000 3.107 429 T HA 0.127 4.477 4.350 -0.000 0.000 0.249 429 T C 0.419 175.175 174.700 0.093 0.000 1.096 429 T CA 0.657 62.847 62.100 0.150 0.000 1.012 429 T CB -0.028 68.889 68.868 0.082 0.000 0.977 429 T HN 0.510 nan 8.240 nan 0.000 0.527 430 T N 1.360 115.940 114.554 0.044 0.000 3.291 430 T HA 0.247 4.597 4.350 -0.000 0.000 0.344 430 T C -2.383 172.149 174.700 -0.280 0.000 1.293 430 T CA -0.840 61.128 62.100 -0.220 0.000 1.108 430 T CB 2.351 71.130 68.868 -0.148 0.000 1.231 430 T HN -0.262 nan 8.240 nan 0.000 0.474 431 P HA -0.060 nan 4.420 nan 0.000 0.217 431 P C 0.752 177.940 177.300 -0.185 0.000 1.151 431 P CA 0.739 63.605 63.100 -0.389 0.000 0.828 431 P CB 0.201 31.448 31.700 -0.756 0.000 0.788 432 Q N -0.120 119.549 119.800 -0.217 0.000 2.500 432 Q HA 0.376 4.716 4.340 -0.000 0.000 0.215 432 Q C -0.200 175.752 176.000 -0.081 0.000 1.062 432 Q CA 0.139 55.867 55.803 -0.126 0.000 0.996 432 Q CB -0.609 28.051 28.738 -0.131 0.000 1.239 432 Q HN -0.003 nan 8.270 nan 0.000 0.578 433 T N 1.072 115.588 114.554 -0.063 0.000 2.756 433 T HA 0.503 4.853 4.350 -0.000 0.000 0.290 433 T C 0.251 174.904 174.700 -0.079 0.000 0.985 433 T CA -0.821 61.250 62.100 -0.048 0.000 0.955 433 T CB 0.596 69.447 68.868 -0.029 0.000 0.930 433 T HN 0.448 nan 8.240 nan 0.000 0.451 434 V N 2.864 122.723 119.914 -0.091 0.000 3.799 434 V HA 0.617 4.737 4.120 -0.000 0.000 0.273 434 V C 0.318 176.296 176.094 -0.194 0.000 0.973 434 V CA -0.444 61.744 62.300 -0.187 0.000 0.979 434 V CB 0.538 32.222 31.823 -0.231 0.000 1.242 434 V HN 0.860 nan 8.190 nan 0.000 0.426 435 L N 0.094 121.105 121.223 -0.353 0.000 2.973 435 L HA 0.335 4.675 4.340 -0.000 0.000 0.254 435 L C -1.417 175.256 176.870 -0.329 0.000 0.947 435 L CA -0.070 54.638 54.840 -0.222 0.000 1.064 435 L CB 1.171 43.150 42.059 -0.134 0.000 1.534 435 L HN 0.433 nan 8.230 nan 0.000 0.504 436 F N 0.000 119.963 119.950 0.021 0.000 2.286 436 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 436 F CA 0.000 58.018 58.000 0.031 0.000 1.383 436 F CB 0.000 39.033 39.000 0.055 0.000 1.145 436 F HN 0.000 nan 8.300 nan 0.000 0.574