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 1cci_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPWGA ANNVFTNEGY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.688 176.870 -0.303 0.000 1.165 4 L CA 0.000 54.720 54.840 -0.199 0.000 0.813 4 L CB 0.000 41.940 42.059 -0.198 0.000 0.961 5 V N 3.356 123.087 119.914 -0.305 0.000 2.483 5 V HA 0.296 nan 4.120 nan 0.000 0.295 5 V C -0.810 175.014 176.094 -0.451 0.000 1.035 5 V CA -1.055 61.062 62.300 -0.305 0.000 0.896 5 V CB 1.403 33.128 31.823 -0.164 0.000 0.986 5 V HN 0.022 8.071 8.190 -0.235 0.000 0.447 6 H N 6.536 125.402 119.070 -0.340 0.000 2.718 6 H HA 0.292 nan 4.556 nan 0.000 0.295 6 H C -1.504 173.450 175.328 -0.623 0.000 1.051 6 H CA -1.254 54.365 56.048 -0.715 0.000 1.260 6 H CB 0.832 29.852 29.762 -1.238 0.000 1.403 6 H HN 0.470 8.550 8.280 -0.333 0.000 0.488 7 V N 4.668 124.451 119.914 -0.218 0.000 2.465 7 V HA 0.291 nan 4.120 nan 0.000 0.279 7 V C -0.733 175.366 176.094 0.010 0.000 1.045 7 V CA -0.995 61.228 62.300 -0.129 0.000 0.938 7 V CB 0.671 32.462 31.823 -0.053 0.000 0.986 7 V HN 0.649 8.763 8.190 -0.125 0.000 0.467 8 A N 7.751 130.501 122.820 -0.115 0.000 2.498 8 A HA 0.113 nan 4.320 nan 0.000 0.239 8 A C -1.409 176.192 177.584 0.029 0.000 1.068 8 A CA 0.603 52.611 52.037 -0.049 0.000 0.766 8 A CB 0.343 19.155 19.000 -0.313 0.000 1.003 8 A HN 0.488 8.451 8.150 -0.312 0.000 0.497 9 S N 3.351 119.082 115.700 0.052 0.000 2.775 9 S HA 0.060 nan 4.470 nan 0.000 0.277 9 S C -0.792 173.856 174.600 0.080 0.000 1.156 9 S CA -0.789 57.450 58.200 0.066 0.000 1.081 9 S CB 1.351 64.597 63.200 0.076 0.000 1.054 9 S HN 0.006 8.227 8.310 0.035 0.110 0.482 10 V N 6.223 126.199 119.914 0.103 0.000 2.720 10 V HA -0.119 nan 4.120 nan 0.000 0.307 10 V C 0.393 176.602 176.094 0.191 0.000 1.071 10 V CA 0.280 62.683 62.300 0.171 0.000 1.199 10 V CB 0.069 32.007 31.823 0.192 0.000 0.900 10 V HN 0.040 8.284 8.190 0.090 0.000 0.494 11 E N 4.715 125.087 120.200 0.287 0.000 2.415 11 E HA -0.110 nan 4.350 nan 0.000 0.263 11 E C -0.472 176.210 176.600 0.137 0.000 0.995 11 E CA 0.408 56.963 56.400 0.257 0.000 0.915 11 E CB 0.565 30.534 29.700 0.448 0.000 0.951 11 E HN 0.221 8.822 8.360 0.402 0.000 0.449 12 K N 6.177 126.626 120.400 0.081 0.000 2.453 12 K HA -0.315 nan 4.320 nan 0.000 0.280 12 K C 0.564 177.142 176.600 -0.037 0.000 1.045 12 K CA 1.496 57.801 56.287 0.030 0.000 1.059 12 K CB -0.031 32.485 32.500 0.026 0.000 0.901 12 K HN 0.539 8.850 8.250 0.101 0.000 0.475 13 G N 3.489 112.279 108.800 -0.016 0.000 2.184 13 G HA2 -0.368 nan 3.960 nan 0.000 0.264 13 G HA3 -0.368 nan 3.960 nan 0.000 0.264 13 G C 0.178 175.026 174.900 -0.086 0.000 0.975 13 G CA 0.213 45.284 45.100 -0.047 0.000 0.642 13 G HN 0.442 8.746 8.290 0.022 0.000 0.536 14 R N 0.960 121.401 120.500 -0.099 0.000 2.438 14 R HA 0.131 nan 4.340 nan 0.000 0.287 14 R C -0.528 175.824 176.300 0.086 0.000 1.077 14 R CA -1.066 54.929 56.100 -0.175 0.000 1.034 14 R CB 0.145 30.247 30.300 -0.332 0.000 0.993 14 R HN -0.330 7.842 8.270 -0.044 0.071 0.459 15 S N 5.044 120.768 115.700 0.039 0.000 2.874 15 S HA 0.358 nan 4.470 nan 0.000 0.318 15 S C 0.198 174.890 174.600 0.154 0.000 1.109 15 S CA -1.344 56.994 58.200 0.230 0.000 0.878 15 S CB 1.597 64.889 63.200 0.154 0.000 1.307 15 S HN 0.232 8.780 8.310 -0.114 -0.307 0.592 16 Y N 2.246 122.475 120.300 -0.118 0.000 2.102 16 Y HA -0.475 nan 4.550 nan 0.000 0.280 16 Y C 1.119 176.930 175.900 -0.148 0.000 1.178 16 Y CA 4.184 62.004 58.100 -0.467 0.000 1.146 16 Y CB 0.109 38.383 38.460 -0.310 0.000 0.968 16 Y HN 0.396 8.832 8.280 0.260 0.000 0.504 17 E N -3.405 116.691 120.200 -0.174 0.000 2.160 17 E HA -0.394 nan 4.350 nan 0.000 0.195 17 E C 2.504 178.959 176.600 -0.241 0.000 0.991 17 E CA 3.139 59.416 56.400 -0.203 0.000 0.810 17 E CB -0.865 28.811 29.700 -0.040 0.000 0.742 17 E HN 0.199 8.589 8.360 0.049 0.000 0.466 18 D N -0.616 119.615 120.400 -0.281 0.000 2.123 18 D HA -0.173 nan 4.640 nan 0.000 0.200 18 D C 2.166 178.257 176.300 -0.348 0.000 0.976 18 D CA 3.587 57.385 54.000 -0.337 0.000 0.831 18 D CB 0.026 40.454 40.800 -0.621 0.000 0.974 18 D HN -0.344 7.836 8.370 -0.264 0.031 0.469 19 F N -0.517 119.394 119.950 -0.065 0.000 2.206 19 F HA -0.132 nan 4.527 nan 0.000 0.298 19 F C 2.055 177.573 175.800 -0.470 0.000 1.090 19 F CA 2.804 60.732 58.000 -0.120 0.000 1.323 19 F CB -0.336 38.780 39.000 0.193 0.000 1.028 19 F HN -1.030 7.058 8.300 -0.352 0.000 0.492 20 Q N -0.635 118.958 119.800 -0.344 0.000 2.234 20 Q HA -0.363 nan 4.340 nan 0.000 0.206 20 Q C 2.095 177.938 176.000 -0.262 0.000 0.980 20 Q CA 3.207 58.774 55.803 -0.395 0.000 0.869 20 Q CB -0.651 27.813 28.738 -0.457 0.000 0.912 20 Q HN 0.237 8.299 8.270 -0.346 0.000 0.436 21 K N -0.401 119.850 120.400 -0.248 0.000 2.025 21 K HA -0.282 nan 4.320 nan 0.000 0.207 21 K C 2.357 178.719 176.600 -0.398 0.000 1.049 21 K CA 3.381 59.553 56.287 -0.192 0.000 0.933 21 K CB -0.120 32.341 32.500 -0.064 0.000 0.714 21 K HN -0.603 7.389 8.250 -0.255 0.105 0.438 22 V N 0.113 119.594 119.914 -0.721 0.000 2.343 22 V HA -0.367 nan 4.120 nan 0.000 0.247 22 V C 1.821 177.611 176.094 -0.506 0.000 1.051 22 V CA 4.323 66.075 62.300 -0.913 0.000 1.036 22 V CB -1.113 30.200 31.823 -0.849 0.000 0.654 22 V HN -0.631 7.194 8.190 -0.607 0.000 0.451 23 Y N -0.012 119.928 120.300 -0.598 0.000 2.081 23 Y HA -0.629 nan 4.550 nan 0.000 0.280 23 Y C 1.451 177.166 175.900 -0.308 0.000 1.163 23 Y CA 4.028 61.806 58.100 -0.537 0.000 1.135 23 Y CB -0.119 37.872 38.460 -0.781 0.000 0.970 23 Y HN 0.418 8.422 8.280 -0.461 0.000 0.498 24 N N -1.321 117.381 118.700 0.002 0.000 2.223 24 N HA -0.468 nan 4.740 nan 0.000 0.185 24 N C 2.132 177.608 175.510 -0.057 0.000 1.016 24 N CA 2.859 55.921 53.050 0.020 0.000 0.863 24 N CB -0.161 38.354 38.487 0.047 0.000 0.983 24 N HN -0.023 8.359 8.380 0.004 0.000 0.429 25 A N 0.965 123.735 122.820 -0.083 0.000 1.898 25 A HA -0.214 nan 4.320 nan 0.000 0.216 25 A C 1.851 179.375 177.584 -0.101 0.000 1.181 25 A CA 3.026 55.041 52.037 -0.036 0.000 0.620 25 A CB -0.618 18.441 19.000 0.097 0.000 0.819 25 A HN -0.127 7.945 8.150 -0.131 0.000 0.442 26 I N -1.146 119.324 120.570 -0.167 0.000 2.142 26 I HA -0.602 nan 4.170 nan 0.000 0.240 26 I C 1.847 177.921 176.117 -0.071 0.000 1.078 26 I CA 3.951 65.185 61.300 -0.111 0.000 1.343 26 I CB -0.229 37.655 38.000 -0.194 0.000 1.046 26 I HN -0.347 7.725 8.210 -0.229 0.000 0.405 27 A N -0.065 122.621 122.820 -0.223 0.000 1.883 27 A HA -0.310 nan 4.320 nan 0.000 0.217 27 A C 2.036 179.602 177.584 -0.030 0.000 1.186 27 A CA 3.394 55.335 52.037 -0.161 0.000 0.624 27 A CB -0.718 18.146 19.000 -0.228 0.000 0.822 27 A HN 0.227 8.158 8.150 -0.365 0.000 0.444 28 L N -2.220 118.988 121.223 -0.025 0.000 2.083 28 L HA -0.316 nan 4.340 nan 0.000 0.209 28 L C 2.120 178.999 176.870 0.014 0.000 1.083 28 L CA 2.421 57.263 54.840 0.003 0.000 0.752 28 L CB -1.112 40.944 42.059 -0.005 0.000 0.899 28 L HN 0.065 8.264 8.230 -0.052 0.000 0.433 29 K N -0.519 119.879 120.400 -0.003 0.000 2.288 29 K HA -0.217 nan 4.320 nan 0.000 0.201 29 K C 2.521 179.252 176.600 0.218 0.000 1.048 29 K CA 2.977 59.259 56.287 -0.007 0.000 0.956 29 K CB -0.241 32.085 32.500 -0.290 0.000 0.746 29 K HN -0.390 7.768 8.250 -0.033 0.072 0.461 30 L N -1.045 120.334 121.223 0.260 0.000 2.056 30 L HA -0.361 nan 4.340 nan 0.000 0.207 30 L C 1.877 178.845 176.870 0.164 0.000 1.078 30 L CA 3.035 58.009 54.840 0.224 0.000 0.749 30 L CB -0.253 41.853 42.059 0.079 0.000 0.901 30 L HN -0.052 8.159 8.230 0.181 0.128 0.433 31 R N -2.348 118.219 120.500 0.112 0.000 2.081 31 R HA -0.292 nan 4.340 nan 0.000 0.235 31 R C 1.760 178.127 176.300 0.112 0.000 1.131 31 R CA 2.628 58.787 56.100 0.098 0.000 0.960 31 R CB 0.080 30.421 30.300 0.068 0.000 0.856 31 R HN -0.335 7.989 8.270 0.090 0.000 0.436 32 E N -1.586 118.678 120.200 0.106 0.000 2.016 32 E HA -0.171 nan 4.350 nan 0.000 0.190 32 E C 1.809 178.492 176.600 0.138 0.000 0.985 32 E CA 2.288 58.747 56.400 0.098 0.000 0.802 32 E CB 0.441 30.174 29.700 0.055 0.000 0.762 32 E HN -0.637 7.780 8.360 0.096 0.000 0.448 33 D N 0.538 121.052 120.400 0.191 0.000 2.885 33 D HA 0.045 nan 4.640 nan 0.000 0.234 33 D C 0.014 176.501 176.300 0.311 0.000 1.129 33 D CA 0.216 54.378 54.000 0.270 0.000 0.991 33 D CB -1.831 39.184 40.800 0.359 0.000 1.137 33 D HN -0.187 8.300 8.370 0.196 0.000 0.459 34 D N -1.245 119.287 120.400 0.220 0.000 2.363 34 D HA -0.250 nan 4.640 nan 0.000 0.220 34 D C 0.081 176.459 176.300 0.130 0.000 0.994 34 D CA 1.942 56.064 54.000 0.204 0.000 0.890 34 D CB -0.228 40.701 40.800 0.215 0.000 0.906 34 D HN -0.046 8.358 8.370 0.194 0.083 0.530 35 E N -2.478 117.721 120.200 -0.001 0.000 2.299 35 E HA -0.266 nan 4.350 nan 0.000 0.193 35 E C 0.364 176.727 176.600 -0.396 0.000 0.998 35 E CA 0.084 56.210 56.400 -0.455 0.000 0.851 35 E CB -0.985 28.542 29.700 -0.289 0.000 0.795 35 E HN 0.049 8.398 8.360 0.105 0.074 0.492 36 Y N 4.296 124.427 120.300 -0.283 0.000 2.904 36 Y HA -0.380 nan 4.550 nan 0.000 0.336 36 Y C -0.996 174.692 175.900 -0.354 0.000 1.263 36 Y CA 1.748 59.618 58.100 -0.384 0.000 1.547 36 Y CB 0.333 38.292 38.460 -0.835 0.000 1.272 36 Y HN -0.963 7.373 8.280 0.094 0.000 0.596 37 D N 6.538 126.336 120.400 -1.003 0.000 2.737 37 D HA -0.478 nan 4.640 nan 0.000 0.238 37 D C -0.880 175.201 176.300 -0.365 0.000 1.157 37 D CA 1.095 54.642 54.000 -0.755 0.000 0.694 37 D CB -0.834 39.399 40.800 -0.945 0.000 1.021 37 D HN 0.481 8.281 8.370 -0.951 0.000 0.420 38 N N -3.124 115.397 118.700 -0.298 0.000 2.705 38 N HA -0.436 nan 4.740 nan 0.000 0.255 38 N C -0.985 174.523 175.510 -0.002 0.000 1.008 38 N CA 1.274 54.242 53.050 -0.138 0.000 0.742 38 N CB -1.340 37.121 38.487 -0.044 0.000 0.906 38 N HN 0.476 8.655 8.380 -0.335 0.000 0.541 39 Y N -9.489 110.775 120.300 -0.060 0.000 4.409 39 Y HA -0.352 nan 4.550 nan 0.000 0.228 39 Y C 0.106 175.993 175.900 -0.021 0.000 1.108 39 Y CA 1.156 59.244 58.100 -0.020 0.000 1.955 39 Y CB -2.464 35.994 38.460 -0.003 0.000 1.615 39 Y HN -0.409 7.533 8.280 -0.563 0.000 0.665 40 I N -2.418 118.151 120.570 -0.002 0.000 2.500 40 I HA -0.253 nan 4.170 nan 0.000 0.252 40 I C 0.584 176.719 176.117 0.031 0.000 1.142 40 I CA 1.619 62.925 61.300 0.009 0.000 1.451 40 I CB 0.673 38.647 38.000 -0.044 0.000 1.093 40 I HN -0.729 7.259 8.210 -0.098 0.163 0.430 41 G N -2.045 106.762 108.800 0.011 0.000 2.760 41 G HA2 -0.277 nan 3.960 nan 0.000 0.246 41 G HA3 -0.277 nan 3.960 nan 0.000 0.246 41 G C -0.865 174.058 174.900 0.038 0.000 1.359 41 G CA -0.498 44.642 45.100 0.067 0.000 0.861 41 G HN -0.446 7.786 8.290 -0.063 0.020 0.541 42 Y N -0.312 119.968 120.300 -0.033 0.000 2.466 42 Y HA -0.013 nan 4.550 nan 0.000 0.272 42 Y C 1.314 177.052 175.900 -0.269 0.000 1.169 42 Y CA 1.115 59.054 58.100 -0.268 0.000 1.285 42 Y CB -0.152 37.804 38.460 -0.839 0.000 1.078 42 Y HN 0.428 8.842 8.280 0.222 0.000 0.523 43 G N 0.762 109.540 108.800 -0.038 0.000 2.514 43 G HA2 -0.327 nan 3.960 nan 0.000 0.217 43 G HA3 -0.327 nan 3.960 nan 0.000 0.217 43 G C -1.339 173.557 174.900 -0.007 0.000 1.198 43 G CA 2.581 47.655 45.100 -0.044 0.000 0.780 43 G HN 0.663 8.898 8.290 0.002 0.056 0.565 44 P HA -0.176 nan 4.420 nan 0.000 0.215 44 P C 0.953 178.291 177.300 0.064 0.000 1.157 44 P CA 2.618 65.749 63.100 0.052 0.000 0.863 44 P CB -0.580 31.151 31.700 0.052 0.000 0.787 45 V N -2.759 117.192 119.914 0.060 0.000 2.515 45 V HA -0.284 nan 4.120 nan 0.000 0.250 45 V C 1.460 177.558 176.094 0.006 0.000 1.058 45 V CA 2.936 65.263 62.300 0.045 0.000 1.064 45 V CB -0.567 31.298 31.823 0.070 0.000 0.675 45 V HN -0.251 7.981 8.190 0.071 0.000 0.461 46 L N -1.251 119.956 121.223 -0.027 0.000 2.093 46 L HA -0.324 nan 4.340 nan 0.000 0.208 46 L C 1.906 178.813 176.870 0.063 0.000 1.085 46 L CA 3.344 58.164 54.840 -0.032 0.000 0.755 46 L CB -0.461 41.531 42.059 -0.112 0.000 0.904 46 L HN -0.338 7.863 8.230 -0.047 0.000 0.435 47 V N -1.279 118.696 119.914 0.102 0.000 2.719 47 V HA -0.335 nan 4.120 nan 0.000 0.252 47 V C 1.227 177.491 176.094 0.284 0.000 1.065 47 V CA 3.065 65.498 62.300 0.222 0.000 1.086 47 V CB -0.688 31.228 31.823 0.154 0.000 0.700 47 V HN -0.003 8.224 8.190 0.061 0.000 0.467 48 R N 0.810 121.428 120.500 0.196 0.000 2.081 48 R HA -0.334 nan 4.340 nan 0.000 0.235 48 R C 1.710 178.049 176.300 0.064 0.000 1.131 48 R CA 3.479 59.706 56.100 0.212 0.000 0.960 48 R CB -0.146 30.191 30.300 0.063 0.000 0.856 48 R HN -0.218 8.065 8.270 0.134 0.067 0.436 49 L N -1.083 120.116 121.223 -0.039 0.000 2.012 49 L HA -0.356 nan 4.340 nan 0.000 0.210 49 L C 1.309 178.137 176.870 -0.069 0.000 1.073 49 L CA 3.254 57.992 54.840 -0.170 0.000 0.748 49 L CB -0.400 41.524 42.059 -0.225 0.000 0.891 49 L HN 0.129 8.348 8.230 -0.018 0.000 0.431 50 A N -1.463 121.418 122.820 0.102 0.000 1.940 50 A HA -0.325 nan 4.320 nan 0.000 0.219 50 A C 1.961 179.686 177.584 0.236 0.000 1.176 50 A CA 2.924 55.066 52.037 0.175 0.000 0.631 50 A CB -0.905 18.259 19.000 0.275 0.000 0.814 50 A HN -0.398 7.830 8.150 0.130 0.000 0.446 51 W N -1.106 120.330 121.300 0.227 0.000 2.381 51 W HA -0.436 nan 4.660 nan 0.000 0.301 51 W C 1.516 178.205 176.519 0.284 0.000 1.205 51 W CA 3.022 60.536 57.345 0.282 0.000 1.285 51 W CB 0.056 29.737 29.460 0.367 0.000 1.133 51 W HN -0.465 8.030 8.180 0.525 0.000 0.521 52 H N -1.493 117.267 119.070 -0.517 0.000 2.462 52 H HA -0.281 nan 4.556 nan 0.000 0.292 52 H C 2.151 177.291 175.328 -0.313 0.000 1.049 52 H CA 2.915 58.607 56.048 -0.594 0.000 1.334 52 H CB 0.887 30.395 29.762 -0.424 0.000 1.404 52 H HN -0.173 8.097 8.280 -0.015 0.000 0.544 53 I N -6.437 114.075 120.570 -0.097 0.000 2.876 53 I HA -0.102 nan 4.170 nan 0.000 0.264 53 I C 0.123 176.260 176.117 0.034 0.000 1.204 53 I CA 1.807 63.091 61.300 -0.026 0.000 1.485 53 I CB 0.076 38.072 38.000 -0.006 0.000 1.103 53 I HN -0.236 7.922 8.210 -0.087 0.000 0.446 54 S N 0.200 115.917 115.700 0.029 0.000 2.441 54 S HA 0.015 nan 4.470 nan 0.000 0.224 54 S C 2.477 177.132 174.600 0.092 0.000 1.043 54 S CA 1.958 60.199 58.200 0.068 0.000 0.948 54 S CB 0.878 64.127 63.200 0.082 0.000 0.810 54 S HN -0.693 7.633 8.310 0.026 0.000 0.504 55 G N 0.850 109.634 108.800 -0.026 0.000 2.564 55 G HA2 -0.319 nan 3.960 nan 0.000 0.216 55 G HA3 -0.319 nan 3.960 nan 0.000 0.216 55 G C -0.260 174.635 174.900 -0.009 0.000 1.124 55 G CA 2.526 47.572 45.100 -0.090 0.000 0.764 55 G HN 0.361 8.572 8.290 -0.131 0.000 0.550 56 T N -3.192 111.368 114.554 0.011 0.000 3.148 56 T HA -0.067 nan 4.350 nan 0.000 0.253 56 T C 0.173 174.962 174.700 0.148 0.000 1.134 56 T CA -0.833 61.303 62.100 0.061 0.000 1.051 56 T CB -0.874 68.032 68.868 0.063 0.000 0.959 56 T HN -0.412 7.757 8.240 -0.005 0.068 0.525 57 W N 2.747 124.044 121.300 -0.005 0.000 2.170 57 W HA -0.210 nan 4.660 nan 0.000 0.342 57 W C -1.838 174.653 176.519 -0.047 0.000 1.294 57 W CA 1.177 58.521 57.345 -0.002 0.000 1.246 57 W CB 0.636 30.105 29.460 0.014 0.000 1.156 57 W HN -0.264 8.048 8.180 0.316 0.058 0.572 58 D N 7.009 127.066 120.400 -0.572 0.000 2.505 58 D HA 0.327 nan 4.640 nan 0.000 0.250 58 D C 0.176 175.705 176.300 -1.284 0.000 1.164 58 D CA -1.671 51.901 54.000 -0.713 0.000 0.870 58 D CB 1.928 42.523 40.800 -0.342 0.000 1.160 58 D HN -0.013 8.051 8.370 -0.510 0.000 0.549 59 K N 6.667 126.139 120.400 -1.545 0.000 2.281 59 K HA -0.326 nan 4.320 nan 0.000 0.203 59 K C 1.017 177.190 176.600 -0.712 0.000 1.046 59 K CA 2.184 57.617 56.287 -1.424 0.000 0.938 59 K CB -0.181 31.748 32.500 -0.951 0.000 0.737 59 K HN 0.347 7.821 8.250 -1.294 0.000 0.458 60 H N -0.760 118.068 119.070 -0.404 0.000 2.363 60 H HA -0.124 nan 4.556 nan 0.000 0.301 60 H C 1.164 176.376 175.328 -0.193 0.000 1.074 60 H CA 1.962 57.870 56.048 -0.233 0.000 1.354 60 H CB 0.432 30.087 29.762 -0.179 0.000 1.397 60 H HN -0.102 7.970 8.280 -0.741 -0.236 0.516 61 D N -4.509 115.831 120.400 -0.100 0.000 2.469 61 D HA -0.051 nan 4.640 nan 0.000 0.215 61 D C 0.350 176.600 176.300 -0.083 0.000 1.154 61 D CA -0.866 53.089 54.000 -0.074 0.000 0.832 61 D CB 0.063 40.835 40.800 -0.046 0.000 1.008 61 D HN -0.526 7.747 8.370 -0.162 0.000 0.506 62 N N -1.465 117.150 118.700 -0.143 0.000 2.725 62 N HA -0.467 nan 4.740 nan 0.000 0.249 62 N C -1.079 174.518 175.510 0.145 0.000 1.103 62 N CA 1.025 54.095 53.050 0.033 0.000 0.707 62 N CB -1.171 37.362 38.487 0.078 0.000 1.043 62 N HN -0.103 8.101 8.380 -0.293 0.000 0.553 63 T N -7.090 107.494 114.554 0.050 0.000 2.902 63 T HA 0.396 nan 4.350 nan 0.000 0.280 63 T C -0.162 174.661 174.700 0.204 0.000 0.992 63 T CA -1.631 60.551 62.100 0.137 0.000 1.015 63 T CB 2.349 71.254 68.868 0.062 0.000 1.044 63 T HN -0.894 7.455 8.240 -0.079 -0.156 0.520 64 G N 3.205 112.139 108.800 0.223 0.000 2.645 64 G HA2 -0.474 nan 3.960 nan 0.000 0.246 64 G HA3 -0.474 nan 3.960 nan 0.000 0.246 64 G C -0.709 174.385 174.900 0.323 0.000 1.322 64 G CA -0.158 45.085 45.100 0.238 0.000 0.898 64 G HN 0.360 8.771 8.290 0.202 0.000 0.573 65 G N -1.260 107.703 108.800 0.272 0.000 2.712 65 G HA2 -0.296 nan 3.960 nan 0.000 0.683 65 G HA3 -0.296 nan 3.960 nan 0.000 0.683 65 G C 0.416 175.390 174.900 0.124 0.000 1.320 65 G CA -0.449 44.758 45.100 0.180 0.000 0.847 65 G HN -0.152 8.275 8.290 0.228 0.000 0.553 66 S N 0.345 116.086 115.700 0.069 0.000 2.453 66 S HA -0.221 nan 4.470 nan 0.000 0.231 66 S C 1.436 176.087 174.600 0.086 0.000 1.005 66 S CA 2.407 60.662 58.200 0.092 0.000 0.949 66 S CB 0.273 63.510 63.200 0.061 0.000 0.774 66 S HN 0.536 8.851 8.310 0.008 0.000 0.510 67 Y N 3.263 123.507 120.300 -0.093 0.000 2.128 67 Y HA -0.379 nan 4.550 nan 0.000 0.284 67 Y C 0.510 176.339 175.900 -0.119 0.000 1.154 67 Y CA 2.795 60.794 58.100 -0.168 0.000 1.149 67 Y CB -0.050 38.193 38.460 -0.361 0.000 0.976 67 Y HN -0.043 8.267 8.280 0.122 0.044 0.505 68 G N -6.517 102.314 108.800 0.052 0.000 2.572 68 G HA2 -0.106 nan 3.960 nan 0.000 0.216 68 G HA3 -0.106 nan 3.960 nan 0.000 0.216 68 G C 0.030 174.978 174.900 0.080 0.000 1.133 68 G CA -0.187 44.953 45.100 0.067 0.000 0.791 68 G HN 0.026 8.384 8.290 0.113 0.000 0.538 69 G N -0.631 108.241 108.800 0.120 0.000 2.258 69 G HA2 -0.482 nan 3.960 nan 0.000 0.274 69 G HA3 -0.482 nan 3.960 nan 0.000 0.274 69 G C 0.622 175.688 174.900 0.276 0.000 1.021 69 G CA 1.105 46.333 45.100 0.213 0.000 0.798 69 G HN -0.519 7.792 8.290 0.115 0.048 0.507 70 T N -3.663 111.065 114.554 0.290 0.000 3.155 70 T HA -0.291 nan 4.350 nan 0.000 0.264 70 T C 1.007 175.893 174.700 0.310 0.000 1.160 70 T CA 1.602 63.910 62.100 0.347 0.000 1.075 70 T CB -0.974 68.124 68.868 0.385 0.000 0.921 70 T HN 0.183 8.563 8.240 0.275 0.025 0.533 71 Y N 3.980 124.395 120.300 0.193 0.000 2.333 71 Y HA -0.326 nan 4.550 nan 0.000 0.290 71 Y C 0.063 176.016 175.900 0.088 0.000 1.144 71 Y CA 1.621 59.785 58.100 0.108 0.000 1.228 71 Y CB -0.450 37.958 38.460 -0.086 0.000 0.985 71 Y HN -0.570 7.925 8.280 0.475 0.070 0.542 72 R N -2.203 118.317 120.500 0.033 0.000 2.241 72 R HA -0.275 nan 4.340 nan 0.000 0.224 72 R C 0.628 176.686 176.300 -0.403 0.000 1.101 72 R CA 1.675 57.639 56.100 -0.226 0.000 0.995 72 R CB -0.238 29.973 30.300 -0.149 0.000 0.870 72 R HN -0.777 7.603 8.270 0.227 0.026 0.463 73 F N -0.597 119.307 119.950 -0.076 0.000 2.410 73 F HA 0.165 nan 4.527 nan 0.000 0.348 73 F C 0.850 176.581 175.800 -0.115 0.000 1.106 73 F CA -1.285 56.663 58.000 -0.086 0.000 1.163 73 F CB 0.111 39.105 39.000 -0.011 0.000 1.129 73 F HN -0.624 7.437 8.300 -0.130 0.161 0.516 74 K N 5.131 125.582 120.400 0.085 0.000 2.097 74 K HA -0.522 nan 4.320 nan 0.000 0.214 74 K C 1.809 178.442 176.600 0.056 0.000 1.052 74 K CA 4.014 60.316 56.287 0.024 0.000 0.932 74 K CB -0.668 31.839 32.500 0.012 0.000 0.716 74 K HN 0.778 9.105 8.250 0.127 0.000 0.455 75 K N -1.693 118.745 120.400 0.064 0.000 2.020 75 K HA -0.377 nan 4.320 nan 0.000 0.212 75 K C 1.600 178.237 176.600 0.061 0.000 1.050 75 K CA 3.318 59.637 56.287 0.053 0.000 0.929 75 K CB -0.207 32.320 32.500 0.045 0.000 0.714 75 K HN -0.092 8.202 8.250 0.074 0.000 0.443 76 E N -2.580 117.668 120.200 0.081 0.000 2.076 76 E HA -0.230 nan 4.350 nan 0.000 0.190 76 E C 2.623 179.221 176.600 -0.003 0.000 0.979 76 E CA 2.300 58.746 56.400 0.077 0.000 0.807 76 E CB 0.106 29.891 29.700 0.140 0.000 0.761 76 E HN -0.701 7.726 8.360 0.112 0.000 0.454 77 F N 0.069 119.802 119.950 -0.362 0.000 2.250 77 F HA -0.275 nan 4.527 nan 0.000 0.301 77 F C 0.778 176.449 175.800 -0.215 0.000 1.077 77 F CA 3.040 60.691 58.000 -0.581 0.000 1.348 77 F CB 0.348 38.902 39.000 -0.743 0.000 1.040 77 F HN -0.353 7.919 8.300 -0.047 0.000 0.509 78 N N -2.888 115.838 118.700 0.043 0.000 2.270 78 N HA -0.038 nan 4.740 nan 0.000 0.198 78 N C -0.962 174.557 175.510 0.014 0.000 1.117 78 N CA -0.208 52.860 53.050 0.030 0.000 0.845 78 N CB 0.749 39.275 38.487 0.064 0.000 0.980 78 N HN -0.498 7.903 8.380 0.071 0.022 0.486 79 D N 2.958 123.368 120.400 0.017 0.000 2.487 79 D HA 0.074 nan 4.640 nan 0.000 0.243 79 D C -0.332 175.983 176.300 0.025 0.000 1.154 79 D CA -1.171 52.847 54.000 0.029 0.000 0.876 79 D CB 0.774 41.601 40.800 0.045 0.000 1.161 79 D HN -0.545 7.651 8.370 0.016 0.184 0.478 80 P HA -0.131 nan 4.420 nan 0.000 0.219 80 P C 1.094 178.425 177.300 0.052 0.000 1.146 80 P CA 2.005 65.124 63.100 0.032 0.000 0.808 80 P CB 0.287 32.005 31.700 0.031 0.000 0.779 81 S N -1.708 114.029 115.700 0.061 0.000 2.481 81 S HA -0.199 nan 4.470 nan 0.000 0.231 81 S C 0.420 175.131 174.600 0.186 0.000 0.996 81 S CA 3.093 61.354 58.200 0.101 0.000 0.942 81 S CB -0.450 62.769 63.200 0.031 0.000 0.768 81 S HN -0.155 8.422 8.310 0.045 -0.241 0.520 82 N N -0.114 118.660 118.700 0.124 0.000 2.230 82 N HA 0.087 nan 4.740 nan 0.000 0.202 82 N C -1.492 174.011 175.510 -0.012 0.000 1.119 82 N CA -1.368 51.746 53.050 0.106 0.000 0.851 82 N CB 0.245 38.813 38.487 0.135 0.000 0.990 82 N HN -0.117 8.126 8.380 0.076 0.183 0.497 83 A N -0.585 122.236 122.820 0.001 0.000 2.561 83 A HA -0.225 nan 4.320 nan 0.000 0.251 83 A C 0.394 177.956 177.584 -0.037 0.000 1.062 83 A CA 1.757 53.779 52.037 -0.024 0.000 0.761 83 A CB -0.612 18.394 19.000 0.010 0.000 0.986 83 A HN -0.764 7.239 8.150 0.036 0.169 0.510 84 G N 3.412 112.174 108.800 -0.064 0.000 2.254 84 G HA2 -0.421 nan 3.960 nan 0.000 0.225 84 G HA3 -0.421 nan 3.960 nan 0.000 0.225 84 G C 1.076 175.938 174.900 -0.062 0.000 1.003 84 G CA 0.732 45.790 45.100 -0.071 0.000 0.622 84 G HN 0.409 8.882 8.290 -0.076 -0.229 0.507 85 L N 2.042 123.208 121.223 -0.094 0.000 2.465 85 L HA -0.310 nan 4.340 nan 0.000 0.224 85 L C 0.835 177.686 176.870 -0.031 0.000 1.145 85 L CA 1.688 56.471 54.840 -0.095 0.000 0.834 85 L CB -0.692 41.261 42.059 -0.175 0.000 0.944 85 L HN -0.247 7.838 8.230 -0.105 0.082 0.451 86 Q N -0.704 119.041 119.800 -0.092 0.000 2.197 86 Q HA -0.439 nan 4.340 nan 0.000 0.207 86 Q C 2.219 178.360 176.000 0.234 0.000 0.984 86 Q CA 3.287 59.125 55.803 0.058 0.000 0.869 86 Q CB -1.068 27.711 28.738 0.069 0.000 0.906 86 Q HN 0.453 8.581 8.270 -0.173 0.038 0.426 87 N N -0.312 118.474 118.700 0.143 0.000 2.104 87 N HA -0.294 nan 4.740 nan 0.000 0.190 87 N C 2.220 177.821 175.510 0.153 0.000 1.024 87 N CA 2.958 56.099 53.050 0.152 0.000 0.853 87 N CB -0.602 37.956 38.487 0.118 0.000 1.008 87 N HN -0.430 7.985 8.380 0.083 0.014 0.424 88 G N -0.602 108.268 108.800 0.117 0.000 2.394 88 G HA2 -0.228 nan 3.960 nan 0.000 0.215 88 G HA3 -0.228 nan 3.960 nan 0.000 0.215 88 G C 0.982 175.985 174.900 0.172 0.000 1.165 88 G CA 1.525 46.675 45.100 0.084 0.000 0.784 88 G HN -0.438 7.808 8.290 0.087 0.096 0.535 89 F N 2.759 122.781 119.950 0.121 0.000 2.095 89 F HA -0.387 nan 4.527 nan 0.000 0.298 89 F C 1.200 177.124 175.800 0.207 0.000 1.104 89 F CA 3.337 61.483 58.000 0.244 0.000 1.232 89 F CB 0.323 39.605 39.000 0.469 0.000 0.987 89 F HN -0.456 8.052 8.300 0.347 0.000 0.475 90 K N -2.819 117.727 120.400 0.244 0.000 2.148 90 K HA -0.380 nan 4.320 nan 0.000 0.204 90 K C 2.009 178.565 176.600 -0.073 0.000 1.050 90 K CA 2.738 59.070 56.287 0.075 0.000 0.942 90 K CB -0.189 32.413 32.500 0.169 0.000 0.724 90 K HN -0.118 8.371 8.250 0.399 0.000 0.446 91 F N -0.568 119.230 119.950 -0.255 0.000 2.126 91 F HA -0.301 nan 4.527 nan 0.000 0.299 91 F C 0.867 176.480 175.800 -0.311 0.000 1.096 91 F CA 2.830 60.562 58.000 -0.446 0.000 1.255 91 F CB 0.603 39.152 39.000 -0.753 0.000 0.997 91 F HN -0.649 7.630 8.300 0.078 0.068 0.479 92 L N -3.740 117.447 121.223 -0.061 0.000 2.418 92 L HA -0.300 nan 4.340 nan 0.000 0.218 92 L C 1.508 178.239 176.870 -0.232 0.000 1.125 92 L CA 1.651 56.421 54.840 -0.117 0.000 0.835 92 L CB -0.448 41.618 42.059 0.012 0.000 0.953 92 L HN -0.228 7.921 8.230 0.025 0.096 0.454 93 E N 0.817 120.835 120.200 -0.304 0.000 2.058 93 E HA -0.227 nan 4.350 nan 0.000 0.194 93 E C -1.060 175.428 176.600 -0.188 0.000 0.997 93 E CA 5.471 61.702 56.400 -0.281 0.000 0.801 93 E CB -1.595 27.917 29.700 -0.314 0.000 0.746 93 E HN -0.306 7.716 8.360 -0.313 0.150 0.450 94 P HA -0.174 nan 4.420 nan 0.000 0.218 94 P C 1.396 178.594 177.300 -0.169 0.000 1.148 94 P CA 2.625 65.611 63.100 -0.190 0.000 0.822 94 P CB -0.480 31.086 31.700 -0.223 0.000 0.784 95 I N -1.968 118.500 120.570 -0.170 0.000 2.500 95 I HA -0.430 nan 4.170 nan 0.000 0.252 95 I C 1.493 177.629 176.117 0.032 0.000 1.142 95 I CA 3.485 64.747 61.300 -0.064 0.000 1.451 95 I CB -0.149 37.783 38.000 -0.112 0.000 1.093 95 I HN -0.599 7.362 8.210 -0.232 0.110 0.430 96 H N 1.025 120.006 119.070 -0.150 0.000 2.395 96 H HA -0.311 nan 4.556 nan 0.000 0.299 96 H C 1.602 176.832 175.328 -0.162 0.000 1.070 96 H CA 2.774 58.723 56.048 -0.165 0.000 1.356 96 H CB 0.376 30.023 29.762 -0.192 0.000 1.401 96 H HN -0.331 7.933 8.280 -0.026 0.000 0.524 97 K N -2.584 117.770 120.400 -0.076 0.000 2.032 97 K HA -0.246 nan 4.320 nan 0.000 0.209 97 K C 1.293 177.786 176.600 -0.178 0.000 1.048 97 K CA 1.991 58.191 56.287 -0.145 0.000 0.927 97 K CB 0.033 32.451 32.500 -0.137 0.000 0.712 97 K HN -0.495 7.719 8.250 -0.060 0.000 0.441 98 E N -1.578 118.487 120.200 -0.225 0.000 2.150 98 E HA -0.205 nan 4.350 nan 0.000 0.193 98 E C 0.302 176.516 176.600 -0.643 0.000 0.985 98 E CA 2.314 58.444 56.400 -0.450 0.000 0.814 98 E CB 0.909 30.267 29.700 -0.570 0.000 0.752 98 E HN -0.572 7.683 8.360 -0.175 0.000 0.466 99 F N -2.562 117.263 119.950 -0.208 0.000 2.389 99 F HA 0.473 nan 4.527 nan 0.000 0.327 99 F C -1.875 173.630 175.800 -0.493 0.000 1.204 99 F CA -3.190 54.555 58.000 -0.424 0.000 1.209 99 F CB -0.371 38.204 39.000 -0.708 0.000 1.460 99 F HN -0.173 8.034 8.300 -0.030 0.075 0.537 100 P HA -0.200 nan 4.420 nan 0.000 0.219 100 P C 0.759 178.060 177.300 0.002 0.000 1.146 100 P CA 2.009 65.052 63.100 -0.095 0.000 0.808 100 P CB -0.237 31.431 31.700 -0.054 0.000 0.779 101 W N -5.196 116.158 121.300 0.090 0.000 2.465 101 W HA -0.142 nan 4.660 nan 0.000 0.268 101 W C -0.453 176.146 176.519 0.133 0.000 1.242 101 W CA -1.795 55.603 57.345 0.089 0.000 1.248 101 W CB -0.554 28.944 29.460 0.063 0.000 1.118 101 W HN -0.594 7.612 8.180 0.118 0.045 0.587 102 I N 2.295 122.673 120.570 -0.320 0.000 2.496 102 I HA -0.058 nan 4.170 nan 0.000 0.285 102 I C -0.927 175.207 176.117 0.029 0.000 1.080 102 I CA -0.460 60.733 61.300 -0.179 0.000 1.404 102 I CB 1.230 38.892 38.000 -0.563 0.000 1.403 102 I HN -0.402 7.362 8.210 -0.744 0.000 0.539 103 S N 7.731 123.466 115.700 0.058 0.000 2.579 103 S HA 0.012 nan 4.470 nan 0.000 0.275 103 S C 1.135 175.616 174.600 -0.198 0.000 1.345 103 S CA 0.054 58.244 58.200 -0.016 0.000 1.031 103 S CB 0.502 63.675 63.200 -0.045 0.000 0.892 103 S HN -0.039 8.607 8.310 0.145 -0.248 0.529 104 S N 5.396 120.949 115.700 -0.244 0.000 2.365 104 S HA -0.395 nan 4.470 nan 0.000 0.225 104 S C 2.092 176.200 174.600 -0.821 0.000 1.039 104 S CA 4.736 62.554 58.200 -0.636 0.000 1.033 104 S CB -0.302 62.643 63.200 -0.425 0.000 0.887 104 S HN 0.159 8.767 8.310 -0.109 -0.363 0.447 105 G N -0.172 108.436 108.800 -0.319 0.000 2.421 105 G HA2 -0.329 nan 3.960 nan 0.000 0.216 105 G HA3 -0.329 nan 3.960 nan 0.000 0.216 105 G C 0.698 175.586 174.900 -0.019 0.000 1.171 105 G CA 2.035 47.079 45.100 -0.094 0.000 0.775 105 G HN -0.442 7.705 8.290 -0.239 0.000 0.543 106 D N 2.446 122.836 120.400 -0.017 0.000 2.144 106 D HA -0.146 nan 4.640 nan 0.000 0.200 106 D C 2.213 178.629 176.300 0.193 0.000 0.978 106 D CA 2.952 57.095 54.000 0.238 0.000 0.833 106 D CB -0.256 40.727 40.800 0.304 0.000 0.961 106 D HN -0.771 7.544 8.370 -0.091 0.000 0.470 107 L N 0.326 121.470 121.223 -0.132 0.000 2.072 107 L HA -0.237 nan 4.340 nan 0.000 0.205 107 L C 1.510 178.343 176.870 -0.062 0.000 1.079 107 L CA 3.258 57.953 54.840 -0.240 0.000 0.752 107 L CB -0.248 41.477 42.059 -0.557 0.000 0.906 107 L HN -0.372 7.698 8.230 -0.266 0.000 0.436 108 F N -2.154 117.781 119.950 -0.025 0.000 2.146 108 F HA -0.314 nan 4.527 nan 0.000 0.298 108 F C 2.126 177.948 175.800 0.037 0.000 1.096 108 F CA 1.835 59.838 58.000 0.004 0.000 1.275 108 F CB -1.231 37.783 39.000 0.023 0.000 1.008 108 F HN 0.273 8.362 8.300 -0.353 0.000 0.480 109 S N -0.549 115.315 115.700 0.273 0.000 2.414 109 S HA -0.217 nan 4.470 nan 0.000 0.227 109 S C 1.986 176.691 174.600 0.175 0.000 1.022 109 S CA 3.197 61.551 58.200 0.256 0.000 0.958 109 S CB -0.100 63.305 63.200 0.341 0.000 0.797 109 S HN 0.007 8.478 8.310 0.268 0.000 0.493 110 L N 2.497 123.725 121.223 0.008 0.000 2.056 110 L HA -0.182 nan 4.340 nan 0.000 0.207 110 L C 1.508 178.242 176.870 -0.228 0.000 1.078 110 L CA 2.433 57.012 54.840 -0.435 0.000 0.749 110 L CB -0.509 41.120 42.059 -0.716 0.000 0.901 110 L HN -0.009 8.306 8.230 0.141 0.000 0.433 111 G N -2.242 106.495 108.800 -0.106 0.000 2.469 111 G HA2 -0.466 nan 3.960 nan 0.000 0.219 111 G HA3 -0.466 nan 3.960 nan 0.000 0.219 111 G C 1.074 175.968 174.900 -0.009 0.000 1.150 111 G CA 2.604 47.666 45.100 -0.063 0.000 0.763 111 G HN 0.280 8.531 8.290 -0.065 0.000 0.561 112 G N 0.611 109.471 108.800 0.099 0.000 2.418 112 G HA2 -0.295 nan 3.960 nan 0.000 0.217 112 G HA3 -0.295 nan 3.960 nan 0.000 0.217 112 G C 1.104 176.179 174.900 0.292 0.000 1.158 112 G CA 1.748 46.999 45.100 0.250 0.000 0.771 112 G HN -0.647 7.708 8.290 0.108 0.000 0.545 113 V N 2.652 122.700 119.914 0.223 0.000 2.307 113 V HA -0.420 nan 4.120 nan 0.000 0.245 113 V C 2.139 178.298 176.094 0.108 0.000 1.045 113 V CA 4.393 66.827 62.300 0.222 0.000 1.024 113 V CB -0.631 31.283 31.823 0.151 0.000 0.651 113 V HN -0.262 7.938 8.190 0.137 0.072 0.449 114 T N 0.901 115.427 114.554 -0.048 0.000 2.720 114 T HA -0.362 nan 4.350 nan 0.000 0.268 114 T C 1.399 175.995 174.700 -0.173 0.000 1.037 114 T CA 5.143 67.078 62.100 -0.274 0.000 1.144 114 T CB -0.666 67.829 68.868 -0.622 0.000 0.864 114 T HN 0.080 8.258 8.240 -0.104 0.000 0.444 115 A N 0.589 123.345 122.820 -0.107 0.000 1.877 115 A HA -0.217 nan 4.320 nan 0.000 0.216 115 A C 1.641 179.184 177.584 -0.069 0.000 1.186 115 A CA 3.319 55.308 52.037 -0.080 0.000 0.620 115 A CB -0.821 18.148 19.000 -0.052 0.000 0.822 115 A HN -0.199 7.901 8.150 -0.083 0.000 0.443 116 V N -0.804 119.055 119.914 -0.091 0.000 2.287 116 V HA -0.572 nan 4.120 nan 0.000 0.248 116 V C 2.433 178.374 176.094 -0.255 0.000 1.053 116 V CA 4.566 66.711 62.300 -0.258 0.000 1.027 116 V CB -1.164 30.434 31.823 -0.375 0.000 0.646 116 V HN -0.506 7.660 8.190 -0.039 0.000 0.447 117 Q N -1.691 118.046 119.800 -0.104 0.000 2.079 117 Q HA -0.317 nan 4.340 nan 0.000 0.200 117 Q C 3.223 179.232 176.000 0.016 0.000 0.974 117 Q CA 3.184 58.972 55.803 -0.024 0.000 0.840 117 Q CB -0.199 28.629 28.738 0.150 0.000 0.898 117 Q HN -0.206 8.040 8.270 -0.039 0.000 0.430 118 E N -0.200 120.010 120.200 0.016 0.000 2.204 118 E HA -0.208 nan 4.350 nan 0.000 0.194 118 E C 1.469 178.079 176.600 0.017 0.000 0.989 118 E CA 1.943 58.355 56.400 0.019 0.000 0.824 118 E CB -0.239 29.445 29.700 -0.026 0.000 0.756 118 E HN -0.235 8.119 8.360 -0.010 0.000 0.477 119 M N -1.440 118.159 119.600 -0.001 0.000 2.654 119 M HA 0.098 nan 4.480 nan 0.000 0.217 119 M C -1.157 175.172 176.300 0.047 0.000 1.183 119 M CA -0.068 55.251 55.300 0.031 0.000 0.991 119 M CB -0.401 32.228 32.600 0.047 0.000 1.749 119 M HN -0.322 7.950 8.290 -0.030 0.000 0.475 120 Q N -5.209 114.605 119.800 0.025 0.000 2.411 120 Q HA -0.478 nan 4.340 nan 0.000 0.305 120 Q C -0.694 175.312 176.000 0.009 0.000 1.273 120 Q CA 0.649 56.475 55.803 0.039 0.000 0.895 120 Q CB -3.136 25.660 28.738 0.097 0.000 1.198 120 Q HN -0.252 7.896 8.270 0.021 0.135 0.470 121 G N 1.765 110.395 108.800 -0.283 0.000 2.510 121 G HA2 0.216 nan 3.960 nan 0.000 0.280 121 G HA3 0.216 nan 3.960 nan 0.000 0.280 121 G C -2.079 172.384 174.900 -0.729 0.000 1.386 121 G CA -1.181 43.387 45.100 -0.886 0.000 1.047 121 G HN 0.077 8.173 8.290 -0.268 0.033 0.527 122 P HA 0.045 nan 4.420 nan 0.000 0.272 122 P C -1.339 175.830 177.300 -0.217 0.000 1.230 122 P CA -0.558 62.282 63.100 -0.434 0.000 0.788 122 P CB 1.092 32.526 31.700 -0.443 0.000 0.949 123 K N -1.105 119.254 120.400 -0.068 0.000 2.436 123 K HA -0.044 nan 4.320 nan 0.000 0.275 123 K C -0.374 176.230 176.600 0.005 0.000 0.999 123 K CA -0.087 56.192 56.287 -0.012 0.000 0.980 123 K CB 0.060 32.566 32.500 0.010 0.000 0.919 123 K HN 0.017 8.251 8.250 -0.027 0.000 0.484 124 I N 3.960 124.571 120.570 0.069 0.000 2.390 124 I HA 0.207 nan 4.170 nan 0.000 0.283 124 I C -1.758 174.439 176.117 0.133 0.000 1.016 124 I CA -4.759 56.612 61.300 0.119 0.000 1.151 124 I CB -1.390 36.751 38.000 0.236 0.000 1.293 124 I HN -0.261 8.263 8.210 0.097 -0.256 0.458 125 P HA -0.100 nan 4.420 nan 0.000 0.263 125 P C -2.203 175.179 177.300 0.137 0.000 1.175 125 P CA 0.169 63.291 63.100 0.036 0.000 0.761 125 P CB 0.189 31.860 31.700 -0.048 0.000 0.794 126 W N 5.999 127.254 121.300 -0.076 0.000 2.936 126 W HA 0.244 nan 4.660 nan 0.000 0.338 126 W C -2.737 173.693 176.519 -0.149 0.000 1.121 126 W CA -1.329 56.002 57.345 -0.023 0.000 1.209 126 W CB 4.045 33.633 29.460 0.214 0.000 1.420 126 W HN 0.615 8.896 8.180 0.169 0.000 0.516 127 R N 2.843 122.887 120.500 -0.759 0.000 2.561 127 R HA 0.541 nan 4.340 nan 0.000 0.297 127 R C -1.460 174.050 176.300 -1.318 0.000 0.969 127 R CA -1.701 53.863 56.100 -0.894 0.000 0.879 127 R CB 3.702 33.559 30.300 -0.738 0.000 1.178 127 R HN 0.245 7.904 8.270 -1.018 0.000 0.445 128 C N -0.884 117.774 119.300 -1.070 0.000 2.480 128 C HA 0.503 nan 4.460 nan 0.000 0.358 128 C C 0.755 175.546 174.990 -0.332 0.000 1.309 128 C CA -1.819 56.659 59.018 -0.901 0.000 2.465 128 C CB 0.483 27.788 27.740 -0.726 0.000 2.379 128 C HN 0.677 8.407 8.230 -0.833 0.000 0.642 129 G N 0.139 108.835 108.800 -0.174 0.000 2.273 129 G HA2 -0.219 nan 3.960 nan 0.000 0.162 129 G HA3 -0.219 nan 3.960 nan 0.000 0.162 129 G C -0.958 173.849 174.900 -0.156 0.000 1.006 129 G CA -0.259 44.796 45.100 -0.074 0.000 0.704 129 G HN 0.333 8.989 8.290 -0.147 -0.455 0.487 130 R N 0.451 120.797 120.500 -0.257 0.000 2.590 130 R HA -0.086 nan 4.340 nan 0.000 0.274 130 R C -1.172 174.771 176.300 -0.595 0.000 1.061 130 R CA 0.668 56.414 56.100 -0.590 0.000 1.081 130 R CB 0.781 30.851 30.300 -0.383 0.000 0.984 130 R HN -0.248 8.148 8.270 -0.210 -0.252 0.448 131 V N 3.020 122.328 119.914 -1.010 0.000 2.495 131 V HA 0.080 nan 4.120 nan 0.000 0.298 131 V C -0.699 175.199 176.094 -0.326 0.000 1.031 131 V CA -1.481 60.543 62.300 -0.461 0.000 0.871 131 V CB 2.551 34.227 31.823 -0.245 0.000 0.988 131 V HN -0.045 6.852 8.190 -2.155 0.000 0.432 132 D N 4.723 125.047 120.400 -0.126 0.000 2.458 132 D HA -0.011 nan 4.640 nan 0.000 0.243 132 D C -0.172 176.166 176.300 0.063 0.000 1.146 132 D CA 0.844 54.826 54.000 -0.029 0.000 0.877 132 D CB 0.311 41.114 40.800 0.005 0.000 1.176 132 D HN 0.011 8.328 8.370 -0.089 0.000 0.461 133 T N 0.102 114.737 114.554 0.136 0.000 2.950 133 T HA 0.513 nan 4.350 nan 0.000 0.288 133 T C -1.910 172.957 174.700 0.277 0.000 1.035 133 T CA -3.345 58.873 62.100 0.198 0.000 1.028 133 T CB 0.346 69.343 68.868 0.215 0.000 1.109 133 T HN -0.133 8.187 8.240 0.134 0.000 0.514 134 P HA 0.232 nan 4.420 nan 0.000 0.271 134 P C 0.740 177.997 177.300 -0.071 0.000 1.218 134 P CA -0.951 62.222 63.100 0.121 0.000 0.780 134 P CB 0.649 32.380 31.700 0.052 0.000 0.901 135 E N 3.386 123.229 120.200 -0.595 0.000 2.208 135 E HA -0.474 nan 4.350 nan 0.000 0.202 135 E C 1.530 177.843 176.600 -0.477 0.000 1.014 135 E CA 3.836 59.491 56.400 -1.242 0.000 0.819 135 E CB -0.119 28.838 29.700 -1.238 0.000 0.735 135 E HN 0.599 8.697 8.360 -0.436 0.000 0.469 136 D N -5.542 114.719 120.400 -0.233 0.000 2.348 136 D HA -0.151 nan 4.640 nan 0.000 0.216 136 D C 1.261 177.539 176.300 -0.036 0.000 0.970 136 D CA 1.566 55.500 54.000 -0.111 0.000 0.889 136 D CB -1.022 39.737 40.800 -0.067 0.000 0.912 136 D HN 0.108 8.330 8.370 -0.210 0.021 0.524 137 T N -4.419 110.137 114.554 0.003 0.000 3.129 137 T HA 0.045 nan 4.350 nan 0.000 0.251 137 T C 0.951 175.716 174.700 0.108 0.000 1.117 137 T CA -0.039 62.109 62.100 0.081 0.000 1.034 137 T CB 0.128 69.082 68.868 0.144 0.000 0.968 137 T HN -0.205 7.878 8.240 -0.018 0.146 0.526 138 T N 7.705 122.309 114.554 0.083 0.000 2.792 138 T HA 0.073 nan 4.350 nan 0.000 0.286 138 T C -1.791 172.968 174.700 0.099 0.000 0.970 138 T CA 0.038 62.219 62.100 0.135 0.000 1.187 138 T CB -0.539 68.401 68.868 0.119 0.000 0.915 138 T HN -0.533 7.541 8.240 -0.004 0.164 0.529 139 P HA 0.034 nan 4.420 nan 0.000 0.269 139 P C -1.460 175.880 177.300 0.067 0.000 1.209 139 P CA -0.786 62.365 63.100 0.085 0.000 0.776 139 P CB 0.656 32.413 31.700 0.095 0.000 0.876 140 D N 1.207 121.636 120.400 0.049 0.000 2.399 140 D HA -0.162 nan 4.640 nan 0.000 0.241 140 D C 0.270 176.595 176.300 0.043 0.000 1.133 140 D CA 0.671 54.696 54.000 0.041 0.000 0.890 140 D CB 0.519 41.337 40.800 0.031 0.000 1.201 140 D HN 0.100 8.496 8.370 0.044 0.000 0.432 141 N N -0.175 118.548 118.700 0.040 0.000 2.345 141 N HA -0.290 nan 4.740 nan 0.000 0.243 141 N C 1.065 176.597 175.510 0.037 0.000 1.246 141 N CA 1.241 54.313 53.050 0.036 0.000 0.863 141 N CB -0.091 38.416 38.487 0.033 0.000 1.096 141 N HN 0.297 8.701 8.380 0.039 0.000 0.446 142 G N 1.669 110.490 108.800 0.035 0.000 2.154 142 G HA2 -0.230 nan 3.960 nan 0.000 0.186 142 G HA3 -0.230 nan 3.960 nan 0.000 0.186 142 G C -0.252 174.691 174.900 0.071 0.000 1.000 142 G CA 0.068 45.198 45.100 0.049 0.000 0.664 142 G HN 0.209 8.514 8.290 0.026 0.000 0.513 143 R N -1.508 119.029 120.500 0.061 0.000 2.312 143 R HA 0.044 nan 4.340 nan 0.000 0.205 143 R C -0.368 176.036 176.300 0.174 0.000 0.904 143 R CA -0.092 56.071 56.100 0.105 0.000 1.052 143 R CB 0.675 31.012 30.300 0.061 0.000 1.014 143 R HN 0.042 8.333 8.270 0.036 0.000 0.503 144 L N -0.418 120.822 121.223 0.028 0.000 2.357 144 L HA 0.203 nan 4.340 nan 0.000 0.273 144 L C -1.872 174.900 176.870 -0.163 0.000 1.080 144 L CA -2.615 52.161 54.840 -0.108 0.000 0.803 144 L CB 0.124 41.979 42.059 -0.341 0.000 1.174 144 L HN -0.382 7.792 8.230 0.000 0.057 0.443 145 P HA 0.023 nan 4.420 nan 0.000 0.272 145 P C -1.677 175.604 177.300 -0.033 0.000 1.230 145 P CA -0.684 62.146 63.100 -0.451 0.000 0.788 145 P CB 0.520 31.657 31.700 -0.939 0.000 0.949 146 D N 2.644 123.099 120.400 0.090 0.000 2.264 146 D HA 0.090 nan 4.640 nan 0.000 0.249 146 D C -0.097 176.204 176.300 0.001 0.000 1.070 146 D CA -0.241 53.754 54.000 -0.009 0.000 0.912 146 D CB 0.915 41.615 40.800 -0.167 0.000 1.193 146 D HN 0.032 8.587 8.370 0.308 0.000 0.427 147 A N -0.100 122.740 122.820 0.034 0.000 2.195 147 A HA 0.060 nan 4.320 nan 0.000 0.210 147 A C -0.536 177.040 177.584 -0.014 0.000 1.165 147 A CA 1.376 53.410 52.037 -0.005 0.000 0.806 147 A CB 0.526 19.462 19.000 -0.107 0.000 0.847 147 A HN 0.132 8.329 8.150 0.079 0.000 0.482 148 D N -4.436 115.985 120.400 0.034 0.000 2.690 148 D HA 0.025 nan 4.640 nan 0.000 0.236 148 D C -1.086 175.209 176.300 -0.009 0.000 1.218 148 D CA -0.625 53.411 54.000 0.060 0.000 0.829 148 D CB -1.764 39.093 40.800 0.096 0.000 1.009 148 D HN 0.259 8.590 8.370 0.019 0.051 0.482 149 K N -1.138 119.244 120.400 -0.030 0.000 2.263 149 K HA 0.242 nan 4.320 nan 0.000 0.249 149 K C -1.798 174.867 176.600 0.108 0.000 1.076 149 K CA -1.623 54.636 56.287 -0.047 0.000 0.884 149 K CB 2.369 34.650 32.500 -0.365 0.000 1.394 149 K HN -0.764 7.416 8.250 0.006 0.073 0.476 150 D N -3.884 116.614 120.400 0.162 0.000 2.569 150 D HA 0.182 nan 4.640 nan 0.000 0.266 150 D C 0.513 176.978 176.300 0.275 0.000 1.164 150 D CA -1.205 52.919 54.000 0.206 0.000 1.071 150 D CB 1.783 42.683 40.800 0.166 0.000 1.183 150 D HN -0.197 8.257 8.370 0.140 0.000 0.613 151 A N -1.720 121.245 122.820 0.242 0.000 1.940 151 A HA -0.224 nan 4.320 nan 0.000 0.219 151 A C 1.947 179.664 177.584 0.221 0.000 1.176 151 A CA 3.332 55.539 52.037 0.282 0.000 0.631 151 A CB -0.222 18.881 19.000 0.172 0.000 0.814 151 A HN 0.477 8.747 8.150 0.201 0.000 0.446 152 G N -2.616 106.283 108.800 0.166 0.000 2.418 152 G HA2 -0.314 nan 3.960 nan 0.000 0.217 152 G HA3 -0.314 nan 3.960 nan 0.000 0.217 152 G C 0.385 175.413 174.900 0.213 0.000 1.158 152 G CA 1.698 46.884 45.100 0.144 0.000 0.771 152 G HN -0.416 8.116 8.290 0.150 -0.152 0.545 153 Y N 2.215 122.606 120.300 0.152 0.000 2.163 153 Y HA -0.383 nan 4.550 nan 0.000 0.288 153 Y C 1.788 177.842 175.900 0.257 0.000 1.136 153 Y CA 3.736 61.942 58.100 0.177 0.000 1.147 153 Y CB 0.230 38.777 38.460 0.145 0.000 0.987 153 Y HN -0.764 7.922 8.280 0.364 -0.187 0.509 154 V N 0.082 120.199 119.914 0.339 0.000 2.295 154 V HA -0.570 nan 4.120 nan 0.000 0.246 154 V C 1.807 178.173 176.094 0.453 0.000 1.049 154 V CA 4.592 67.129 62.300 0.395 0.000 1.024 154 V CB -1.090 31.015 31.823 0.470 0.000 0.648 154 V HN -0.053 8.408 8.190 0.450 0.000 0.447 155 R N -1.810 118.919 120.500 0.382 0.000 2.091 155 R HA -0.436 nan 4.340 nan 0.000 0.238 155 R C 2.027 178.452 176.300 0.208 0.000 1.136 155 R CA 3.933 60.219 56.100 0.310 0.000 0.959 155 R CB -0.130 30.261 30.300 0.151 0.000 0.856 155 R HN 0.091 8.575 8.270 0.356 0.000 0.437 156 T N 1.366 115.993 114.554 0.122 0.000 2.812 156 T HA -0.222 nan 4.350 nan 0.000 0.264 156 T C 1.895 176.582 174.700 -0.022 0.000 1.042 156 T CA 4.594 66.721 62.100 0.045 0.000 1.140 156 T CB -0.548 68.339 68.868 0.032 0.000 0.870 156 T HN -0.612 7.703 8.240 0.126 0.000 0.445 157 F N 3.164 122.981 119.950 -0.222 0.000 2.091 157 F HA -0.470 nan 4.527 nan 0.000 0.299 157 F C 1.407 177.085 175.800 -0.204 0.000 1.103 157 F CA 3.247 61.046 58.000 -0.334 0.000 1.228 157 F CB 0.241 38.873 39.000 -0.612 0.000 0.984 157 F HN -0.031 8.231 8.300 -0.064 0.000 0.477 158 F N -2.326 117.617 119.950 -0.012 0.000 2.407 158 F HA -0.343 nan 4.527 nan 0.000 0.299 158 F C 1.916 177.680 175.800 -0.060 0.000 1.097 158 F CA 3.544 61.536 58.000 -0.015 0.000 1.422 158 F CB -0.449 38.646 39.000 0.158 0.000 1.067 158 F HN 0.019 8.535 8.300 0.360 0.000 0.539 159 Q N -0.834 119.018 119.800 0.087 0.000 2.181 159 Q HA -0.436 nan 4.340 nan 0.000 0.205 159 Q C 2.262 178.210 176.000 -0.085 0.000 0.980 159 Q CA 3.294 59.112 55.803 0.024 0.000 0.862 159 Q CB -0.533 28.214 28.738 0.016 0.000 0.905 159 Q HN -0.293 8.041 8.270 0.108 0.000 0.429 160 R N -0.746 119.626 120.500 -0.213 0.000 2.152 160 R HA -0.219 nan 4.340 nan 0.000 0.232 160 R C 0.747 176.882 176.300 -0.275 0.000 1.117 160 R CA 2.780 58.680 56.100 -0.334 0.000 0.981 160 R CB 0.064 30.108 30.300 -0.428 0.000 0.870 160 R HN -0.591 7.506 8.270 -0.256 0.019 0.451 161 L N -3.225 117.964 121.223 -0.056 0.000 2.728 161 L HA 0.040 nan 4.340 nan 0.000 0.235 161 L C -1.108 175.981 176.870 0.365 0.000 1.197 161 L CA -1.090 53.935 54.840 0.309 0.000 0.992 161 L CB -1.044 41.224 42.059 0.349 0.000 1.263 161 L HN -0.689 7.346 8.230 -0.108 0.130 0.484 162 N N -0.817 118.004 118.700 0.202 0.000 3.046 162 N HA -0.411 nan 4.740 nan 0.000 0.301 162 N C -0.925 174.684 175.510 0.166 0.000 1.069 162 N CA 1.063 54.210 53.050 0.162 0.000 0.855 162 N CB -1.243 37.317 38.487 0.123 0.000 0.940 162 N HN -0.422 7.922 8.380 0.063 0.074 0.623 163 M N -0.233 119.481 119.600 0.190 0.000 2.238 163 M HA 0.222 nan 4.480 nan 0.000 0.350 163 M C -0.453 175.916 176.300 0.115 0.000 1.138 163 M CA -1.546 53.842 55.300 0.145 0.000 1.040 163 M CB 0.589 33.295 32.600 0.177 0.000 1.639 163 M HN -0.300 8.103 8.290 0.226 0.023 0.451 164 N N 3.699 122.444 118.700 0.076 0.000 2.448 164 N HA 0.129 nan 4.740 nan 0.000 0.274 164 N C 0.043 175.600 175.510 0.078 0.000 1.239 164 N CA -1.128 51.968 53.050 0.076 0.000 0.982 164 N CB 0.903 39.426 38.487 0.060 0.000 1.199 164 N HN 0.637 9.430 8.380 0.064 -0.374 0.576 165 D N 0.208 120.679 120.400 0.118 0.000 2.116 165 D HA -0.364 nan 4.640 nan 0.000 0.193 165 D C 2.411 178.773 176.300 0.103 0.000 0.998 165 D CA 4.644 58.767 54.000 0.206 0.000 0.836 165 D CB -0.371 40.568 40.800 0.230 0.000 0.951 165 D HN 0.470 8.902 8.370 0.102 0.000 0.449 166 R N -0.072 120.470 120.500 0.070 0.000 2.096 166 R HA -0.348 nan 4.340 nan 0.000 0.235 166 R C 2.046 178.395 176.300 0.081 0.000 1.127 166 R CA 3.025 59.162 56.100 0.062 0.000 0.968 166 R CB -0.186 30.150 30.300 0.059 0.000 0.861 166 R HN -0.308 8.063 8.270 0.070 -0.058 0.440 167 E N -0.220 120.002 120.200 0.037 0.000 2.072 167 E HA -0.305 nan 4.350 nan 0.000 0.190 167 E C 2.494 179.028 176.600 -0.109 0.000 0.982 167 E CA 3.173 59.572 56.400 -0.001 0.000 0.803 167 E CB -0.036 29.661 29.700 -0.006 0.000 0.755 167 E HN -0.153 8.571 8.360 0.037 -0.342 0.453 168 V N 0.660 120.437 119.914 -0.227 0.000 2.332 168 V HA -0.333 nan 4.120 nan 0.000 0.248 168 V C 2.110 178.002 176.094 -0.338 0.000 1.055 168 V CA 4.682 66.677 62.300 -0.508 0.000 1.038 168 V CB -0.967 30.538 31.823 -0.530 0.000 0.651 168 V HN 0.146 8.251 8.190 -0.142 0.000 0.450 169 V N -1.217 118.583 119.914 -0.190 0.000 2.453 169 V HA -0.381 nan 4.120 nan 0.000 0.247 169 V C 1.718 177.933 176.094 0.203 0.000 1.048 169 V CA 4.081 66.331 62.300 -0.083 0.000 1.049 169 V CB -1.307 30.450 31.823 -0.110 0.000 0.672 169 V HN -0.121 7.986 8.190 -0.140 0.000 0.457 170 A N -0.249 122.759 122.820 0.313 0.000 1.858 170 A HA -0.231 nan 4.320 nan 0.000 0.216 170 A C 2.317 180.187 177.584 0.477 0.000 1.190 170 A CA 3.095 55.404 52.037 0.454 0.000 0.617 170 A CB -0.627 18.580 19.000 0.345 0.000 0.827 170 A HN -0.454 7.847 8.150 0.252 0.000 0.443 171 L N -1.241 120.093 121.223 0.184 0.000 2.013 171 L HA -0.322 nan 4.340 nan 0.000 0.212 171 L C 2.473 179.367 176.870 0.040 0.000 1.073 171 L CA 2.455 57.353 54.840 0.097 0.000 0.753 171 L CB -0.845 41.115 42.059 -0.164 0.000 0.890 171 L HN 0.169 8.435 8.230 0.060 0.000 0.432 172 M N -1.391 118.146 119.600 -0.104 0.000 2.358 172 M HA -0.244 nan 4.480 nan 0.000 0.264 172 M C 2.380 178.551 176.300 -0.215 0.000 1.064 172 M CA 2.323 57.492 55.300 -0.219 0.000 1.093 172 M CB -0.720 31.765 32.600 -0.191 0.000 1.401 172 M HN -0.005 8.212 8.290 -0.122 0.000 0.440 173 G N -1.487 107.252 108.800 -0.101 0.000 2.485 173 G HA2 -0.370 nan 3.960 nan 0.000 0.221 173 G HA3 -0.370 nan 3.960 nan 0.000 0.221 173 G C 0.436 175.105 174.900 -0.384 0.000 1.115 173 G CA 1.842 46.693 45.100 -0.415 0.000 0.751 173 G HN -0.134 8.221 8.290 0.143 0.021 0.567 174 A N 1.849 124.524 122.820 -0.241 0.000 2.131 174 A HA -0.255 nan 4.320 nan 0.000 0.220 174 A C 1.494 178.963 177.584 -0.192 0.000 1.158 174 A CA 2.081 53.950 52.037 -0.279 0.000 0.665 174 A CB -0.642 18.312 19.000 -0.077 0.000 0.795 174 A HN -0.422 7.686 8.150 -0.038 0.020 0.460 175 H N -0.346 118.593 119.070 -0.218 0.000 2.563 175 H HA -0.176 nan 4.556 nan 0.000 0.272 175 H C 0.856 176.044 175.328 -0.233 0.000 1.005 175 H CA 0.575 56.507 56.048 -0.194 0.000 1.171 175 H CB -0.329 29.325 29.762 -0.180 0.000 1.351 175 H HN -0.019 7.937 8.280 -0.275 0.159 0.602 176 A N -1.236 121.460 122.820 -0.207 0.000 2.119 176 A HA -0.112 nan 4.320 nan 0.000 0.217 176 A C -0.756 176.735 177.584 -0.154 0.000 1.153 176 A CA 1.279 53.178 52.037 -0.230 0.000 0.692 176 A CB 0.665 19.464 19.000 -0.335 0.000 0.799 176 A HN -0.376 7.540 8.150 -0.305 0.052 0.458 177 L N -3.116 118.033 121.223 -0.122 0.000 2.375 177 L HA -0.038 nan 4.340 nan 0.000 0.271 177 L C 1.212 178.068 176.870 -0.023 0.000 1.107 177 L CA 0.023 54.826 54.840 -0.061 0.000 0.806 177 L CB 0.524 42.561 42.059 -0.036 0.000 1.146 177 L HN -0.564 7.426 8.230 -0.126 0.164 0.447 178 G N 2.908 111.698 108.800 -0.016 0.000 2.569 178 G HA2 -0.387 nan 3.960 nan 0.000 0.259 178 G HA3 -0.387 nan 3.960 nan 0.000 0.259 178 G C -2.327 172.529 174.900 -0.074 0.000 1.263 178 G CA 0.533 45.624 45.100 -0.016 0.000 0.928 178 G HN 0.736 9.018 8.290 -0.014 0.000 0.572 179 K N -1.901 118.432 120.400 -0.111 0.000 2.533 179 K HA 0.613 nan 4.320 nan 0.000 0.284 179 K C -1.561 174.816 176.600 -0.370 0.000 1.025 179 K CA -1.617 54.511 56.287 -0.266 0.000 0.900 179 K CB 2.908 35.196 32.500 -0.353 0.000 1.519 179 K HN -0.207 8.025 8.250 -0.030 0.000 0.432 180 T N -2.195 112.103 114.554 -0.427 0.000 2.934 180 T HA 0.423 nan 4.350 nan 0.000 0.283 180 T C -0.483 173.893 174.700 -0.541 0.000 1.005 180 T CA -1.622 60.286 62.100 -0.321 0.000 1.041 180 T CB 1.396 70.178 68.868 -0.144 0.000 1.042 180 T HN 0.373 8.364 8.240 -0.416 0.000 0.505 181 H N 0.854 119.902 119.070 -0.037 0.000 2.823 181 H HA 0.350 nan 4.556 nan 0.000 0.332 181 H C -0.050 175.269 175.328 -0.016 0.000 0.980 181 H CA -1.073 54.949 56.048 -0.043 0.000 1.286 181 H CB 1.630 31.368 29.762 -0.040 0.000 1.541 181 H HN 0.437 8.767 8.280 0.084 0.000 0.521 182 L N 5.383 126.633 121.223 0.045 0.000 2.043 182 L HA -0.406 nan 4.340 nan 0.000 0.212 182 L C 0.949 177.836 176.870 0.029 0.000 1.075 182 L CA 3.823 58.676 54.840 0.021 0.000 0.752 182 L CB 0.296 42.361 42.059 0.011 0.000 0.891 182 L HN 0.126 8.692 8.230 0.005 -0.333 0.432 183 K N -2.570 117.858 120.400 0.047 0.000 2.442 183 K HA -0.265 nan 4.320 nan 0.000 0.198 183 K C 0.932 177.555 176.600 0.038 0.000 1.042 183 K CA 2.448 58.755 56.287 0.034 0.000 0.958 183 K CB -0.451 32.066 32.500 0.029 0.000 0.766 183 K HN 0.241 8.526 8.250 0.059 0.000 0.474 184 N N -1.924 116.817 118.700 0.068 0.000 2.349 184 N HA 0.017 nan 4.740 nan 0.000 0.180 184 N C 0.806 176.362 175.510 0.077 0.000 1.024 184 N CA 2.034 55.121 53.050 0.063 0.000 0.869 184 N CB 0.726 39.259 38.487 0.076 0.000 1.022 184 N HN -0.163 8.132 8.380 0.107 0.149 0.433 185 S N -3.898 111.865 115.700 0.104 0.000 2.632 185 S HA 0.152 nan 4.470 nan 0.000 0.237 185 S C 0.416 175.035 174.600 0.032 0.000 1.037 185 S CA -0.436 57.844 58.200 0.133 0.000 1.009 185 S CB 2.253 65.607 63.200 0.256 0.000 0.974 185 S HN -0.416 7.966 8.310 0.120 0.000 0.544 186 G N 1.003 109.766 108.800 -0.061 0.000 2.147 186 G HA2 -0.375 nan 3.960 nan 0.000 0.244 186 G HA3 -0.375 nan 3.960 nan 0.000 0.244 186 G C -1.343 173.240 174.900 -0.529 0.000 1.005 186 G CA 0.822 45.772 45.100 -0.251 0.000 0.713 186 G HN -0.231 8.057 8.290 -0.004 0.000 0.515 187 Y N -2.703 117.589 120.300 -0.013 0.000 2.570 187 Y HA 0.325 nan 4.550 nan 0.000 0.345 187 Y C -1.656 174.195 175.900 -0.081 0.000 1.014 187 Y CA -1.772 56.306 58.100 -0.036 0.000 1.063 187 Y CB 2.687 41.114 38.460 -0.054 0.000 1.272 187 Y HN -0.854 7.408 8.280 0.042 0.043 0.477 188 E N 0.282 120.510 120.200 0.047 0.000 2.366 188 E HA 0.202 nan 4.350 nan 0.000 0.278 188 E C -1.516 174.728 176.600 -0.594 0.000 0.923 188 E CA -1.934 54.369 56.400 -0.161 0.000 0.761 188 E CB 3.935 33.630 29.700 -0.008 0.000 1.231 188 E HN 0.306 9.067 8.360 0.134 -0.321 0.443 189 G N 1.752 110.007 108.800 -0.909 0.000 2.462 189 G HA2 -0.217 nan 3.960 nan 0.000 0.685 189 G HA3 -0.217 nan 3.960 nan 0.000 0.685 189 G C -3.225 171.268 174.900 -0.678 0.000 1.295 189 G CA -0.787 43.456 45.100 -1.428 0.000 0.941 189 G HN -0.137 7.769 8.290 -0.639 0.000 0.554 190 P HA 0.116 nan 4.420 nan 0.000 0.270 190 P C -1.189 175.902 177.300 -0.347 0.000 1.223 190 P CA 0.152 63.056 63.100 -0.326 0.000 0.785 190 P CB 0.475 32.182 31.700 0.012 0.000 0.923 191 W N 1.532 122.828 121.300 -0.006 0.000 2.318 191 W HA -0.034 nan 4.660 nan 0.000 0.315 191 W C -0.269 176.222 176.519 -0.047 0.000 1.033 191 W CA -0.385 56.942 57.345 -0.029 0.000 1.275 191 W CB 0.361 29.803 29.460 -0.030 0.000 1.250 191 W HN 0.525 8.824 8.180 0.392 0.115 0.421 192 G N 4.048 112.932 108.800 0.140 0.000 3.396 192 G HA2 -0.328 nan 3.960 nan 0.000 0.682 192 G HA3 -0.328 nan 3.960 nan 0.000 0.682 192 G C -0.598 174.327 174.900 0.041 0.000 0.924 192 G CA -0.793 44.351 45.100 0.073 0.000 0.770 192 G HN -0.153 8.204 8.290 0.110 0.000 0.484 193 A N 1.066 123.906 122.820 0.034 0.000 1.616 193 A HA -0.316 nan 4.320 nan 0.000 0.208 193 A C -1.270 176.343 177.584 0.049 0.000 1.293 193 A CA 0.624 52.684 52.037 0.039 0.000 0.657 193 A CB -0.262 18.762 19.000 0.040 0.000 1.154 193 A HN 0.378 8.549 8.150 0.035 0.000 0.202 194 A N 2.095 124.931 122.820 0.026 0.000 2.306 194 A HA 0.306 nan 4.320 nan 0.000 0.330 194 A C -1.366 176.233 177.584 0.025 0.000 1.146 194 A CA -1.247 50.797 52.037 0.013 0.000 0.827 194 A CB 1.595 20.573 19.000 -0.037 0.000 1.178 194 A HN -0.099 8.063 8.150 0.020 0.000 0.490 195 N N -0.505 118.205 118.700 0.017 0.000 2.430 195 N HA 0.064 nan 4.740 nan 0.000 0.292 195 N C -0.711 174.804 175.510 0.008 0.000 1.051 195 N CA -0.409 52.651 53.050 0.016 0.000 0.917 195 N CB 1.704 40.194 38.487 0.005 0.000 1.164 195 N HN 0.336 8.720 8.380 0.007 0.000 0.484 196 N N 1.240 119.955 118.700 0.025 0.000 2.377 196 N HA 0.079 nan 4.740 nan 0.000 0.259 196 N C -1.527 174.013 175.510 0.050 0.000 1.332 196 N CA -0.219 52.852 53.050 0.034 0.000 0.877 196 N CB 0.198 38.710 38.487 0.042 0.000 1.299 196 N HN 0.450 8.851 8.380 0.034 0.000 0.501 197 V N -0.268 119.677 119.914 0.052 0.000 2.513 197 V HA 0.314 nan 4.120 nan 0.000 0.299 197 V C -1.470 174.688 176.094 0.106 0.000 1.035 197 V CA -1.354 60.997 62.300 0.085 0.000 0.889 197 V CB 1.747 33.618 31.823 0.081 0.000 0.988 197 V HN -0.977 7.393 8.190 0.035 -0.159 0.440 198 F N 8.710 128.647 119.950 -0.021 0.000 2.438 198 F HA 0.131 nan 4.527 nan 0.000 0.360 198 F C -0.928 174.948 175.800 0.125 0.000 1.118 198 F CA 0.412 58.374 58.000 -0.063 0.000 1.164 198 F CB 0.484 39.329 39.000 -0.258 0.000 1.131 198 F HN 0.633 9.079 8.300 0.243 0.000 0.527 199 T N 2.840 117.411 114.554 0.029 0.000 2.812 199 T HA 0.244 nan 4.350 nan 0.000 0.294 199 T C -0.865 173.948 174.700 0.189 0.000 1.159 199 T CA -2.054 60.188 62.100 0.236 0.000 1.008 199 T CB 2.768 71.701 68.868 0.109 0.000 1.289 199 T HN -0.239 7.855 8.240 -0.243 0.000 0.514 200 N N -1.936 116.920 118.700 0.261 0.000 2.434 200 N HA -0.087 nan 4.740 nan 0.000 0.196 200 N C 1.058 176.520 175.510 -0.080 0.000 1.183 200 N CA 0.341 53.447 53.050 0.094 0.000 0.849 200 N CB -1.400 37.225 38.487 0.230 0.000 0.992 200 N HN 0.357 8.888 8.380 0.252 0.000 0.460 201 E N 1.839 121.972 120.200 -0.112 0.000 2.233 201 E HA -0.345 nan 4.350 nan 0.000 0.199 201 E C 1.138 177.586 176.600 -0.253 0.000 1.004 201 E CA 2.969 59.281 56.400 -0.147 0.000 0.819 201 E CB -0.333 29.288 29.700 -0.132 0.000 0.738 201 E HN -0.580 7.647 8.360 -0.064 0.094 0.478 202 G N -2.142 106.405 108.800 -0.423 0.000 2.432 202 G HA2 -0.245 nan 3.960 nan 0.000 0.219 202 G HA3 -0.245 nan 3.960 nan 0.000 0.219 202 G C 1.530 176.175 174.900 -0.425 0.000 1.135 202 G CA 1.974 46.783 45.100 -0.485 0.000 0.767 202 G HN 0.234 8.209 8.290 -0.478 0.028 0.550 203 Y N 1.422 121.600 120.300 -0.203 0.000 2.286 203 Y HA -0.136 nan 4.550 nan 0.000 0.293 203 Y C 2.117 177.959 175.900 -0.096 0.000 1.124 203 Y CA 2.324 60.328 58.100 -0.161 0.000 1.178 203 Y CB -0.305 38.048 38.460 -0.178 0.000 1.010 203 Y HN -0.570 7.364 8.280 -0.532 0.027 0.536 204 L N -0.854 120.402 121.223 0.056 0.000 2.012 204 L HA -0.569 nan 4.340 nan 0.000 0.210 204 L C 2.045 178.923 176.870 0.014 0.000 1.073 204 L CA 3.237 58.091 54.840 0.023 0.000 0.748 204 L CB -0.569 41.490 42.059 0.001 0.000 0.891 204 L HN -0.737 7.517 8.230 0.041 0.000 0.431 205 N N -1.034 117.647 118.700 -0.030 0.000 2.120 205 N HA -0.295 nan 4.740 nan 0.000 0.188 205 N C 2.490 178.168 175.510 0.280 0.000 1.024 205 N CA 2.881 55.944 53.050 0.022 0.000 0.852 205 N CB -0.580 37.834 38.487 -0.121 0.000 1.003 205 N HN -0.209 8.115 8.380 -0.093 0.000 0.424 206 L N 0.006 121.351 121.223 0.204 0.000 2.079 206 L HA -0.255 nan 4.340 nan 0.000 0.210 206 L C 2.169 179.181 176.870 0.238 0.000 1.081 206 L CA 3.238 58.206 54.840 0.212 0.000 0.752 206 L CB -0.114 41.918 42.059 -0.045 0.000 0.896 206 L HN -0.128 8.134 8.230 0.054 0.000 0.433 207 L N -2.932 118.366 121.223 0.126 0.000 2.375 207 L HA -0.236 nan 4.340 nan 0.000 0.215 207 L C 1.226 178.142 176.870 0.077 0.000 1.108 207 L CA 2.145 57.032 54.840 0.078 0.000 0.830 207 L CB -0.093 41.987 42.059 0.034 0.000 0.959 207 L HN -0.349 7.939 8.230 0.097 0.000 0.457 208 N N -3.625 115.119 118.700 0.072 0.000 2.294 208 N HA 0.041 nan 4.740 nan 0.000 0.186 208 N C -0.145 175.347 175.510 -0.031 0.000 1.107 208 N CA 0.321 53.386 53.050 0.024 0.000 0.884 208 N CB 1.448 39.943 38.487 0.014 0.000 1.030 208 N HN -0.287 8.147 8.380 0.090 0.000 0.482 209 E N 0.386 120.531 120.200 -0.093 0.000 2.373 209 E HA -0.025 nan 4.350 nan 0.000 0.263 209 E C -0.668 175.666 176.600 -0.443 0.000 1.073 209 E CA -0.184 55.977 56.400 -0.398 0.000 0.894 209 E CB 0.714 29.827 29.700 -0.978 0.000 1.008 209 E HN -0.461 7.926 8.360 0.044 0.000 0.420 210 D N 2.553 122.726 120.400 -0.380 0.000 2.365 210 D HA 0.035 nan 4.640 nan 0.000 0.237 210 D C -1.106 175.068 176.300 -0.210 0.000 1.190 210 D CA -0.862 53.026 54.000 -0.185 0.000 0.867 210 D CB 0.003 40.746 40.800 -0.095 0.000 1.050 210 D HN 0.142 8.310 8.370 -0.336 0.000 0.491 211 W N 1.873 123.299 121.300 0.210 0.000 2.449 211 W HA 0.233 nan 4.660 nan 0.000 0.331 211 W C -0.411 176.321 176.519 0.355 0.000 1.119 211 W CA -1.301 56.228 57.345 0.307 0.000 1.240 211 W CB 1.855 31.536 29.460 0.368 0.000 1.251 211 W HN -0.136 8.208 8.180 0.273 0.000 0.576 212 K N 1.069 121.815 120.400 0.578 0.000 2.502 212 K HA 0.277 nan 4.320 nan 0.000 0.254 212 K C -1.312 175.275 176.600 -0.021 0.000 0.947 212 K CA -1.225 55.218 56.287 0.261 0.000 0.834 212 K CB 2.962 35.536 32.500 0.123 0.000 1.112 212 K HN 0.693 9.234 8.250 0.662 0.106 0.427 213 L N 6.353 127.303 121.223 -0.455 0.000 2.515 213 L HA 0.063 nan 4.340 nan 0.000 0.281 213 L C -0.659 175.955 176.870 -0.427 0.000 1.131 213 L CA 0.378 54.656 54.840 -0.937 0.000 0.905 213 L CB -0.104 41.206 42.059 -1.249 0.000 1.246 213 L HN 0.431 8.493 8.230 -0.279 0.000 0.463 214 E N 7.085 127.102 120.200 -0.305 0.000 2.299 214 E HA 0.393 nan 4.350 nan 0.000 0.260 214 E C -2.111 174.416 176.600 -0.122 0.000 0.944 214 E CA -1.963 54.343 56.400 -0.156 0.000 0.815 214 E CB 3.353 33.009 29.700 -0.072 0.000 1.252 214 E HN 0.676 8.835 8.360 -0.336 0.000 0.418 215 K N 0.282 120.635 120.400 -0.078 0.000 2.244 215 K HA 0.323 nan 4.320 nan 0.000 0.260 215 K C -1.072 175.514 176.600 -0.023 0.000 0.951 215 K CA -1.113 55.141 56.287 -0.056 0.000 0.826 215 K CB 1.555 34.019 32.500 -0.059 0.000 1.108 215 K HN 0.047 8.252 8.250 -0.075 0.000 0.433 216 N N 6.051 124.745 118.700 -0.010 0.000 2.448 216 N HA 0.158 nan 4.740 nan 0.000 0.274 216 N C 0.630 176.136 175.510 -0.007 0.000 1.239 216 N CA -0.878 52.184 53.050 0.020 0.000 0.982 216 N CB 0.491 39.011 38.487 0.055 0.000 1.199 216 N HN 0.364 8.617 8.380 -0.027 0.111 0.576 217 D N -1.459 118.948 120.400 0.012 0.000 2.351 217 D HA -0.193 nan 4.640 nan 0.000 0.216 217 D C -0.120 176.162 176.300 -0.031 0.000 0.968 217 D CA 2.744 56.741 54.000 -0.005 0.000 0.899 217 D CB -0.308 40.501 40.800 0.014 0.000 0.907 217 D HN 0.500 8.899 8.370 0.049 0.000 0.514 218 A N -2.468 120.316 122.820 -0.061 0.000 2.379 218 A HA 0.058 nan 4.320 nan 0.000 0.236 218 A C -0.359 177.163 177.584 -0.102 0.000 1.272 218 A CA -0.461 51.521 52.037 -0.090 0.000 0.886 218 A CB -0.111 18.804 19.000 -0.141 0.000 0.962 218 A HN -0.336 7.975 8.150 -0.065 -0.201 0.504 219 N N -3.517 115.135 118.700 -0.080 0.000 2.741 219 N HA -0.467 nan 4.740 nan 0.000 0.251 219 N C -1.604 173.853 175.510 -0.088 0.000 1.112 219 N CA 1.410 54.417 53.050 -0.071 0.000 0.750 219 N CB -0.750 37.703 38.487 -0.057 0.000 1.119 219 N HN 0.084 8.229 8.380 -0.064 0.197 0.561 220 N N -1.063 117.560 118.700 -0.129 0.000 2.456 220 N HA 0.206 nan 4.740 nan 0.000 0.296 220 N C -1.342 174.136 175.510 -0.053 0.000 1.102 220 N CA -0.448 52.521 53.050 -0.135 0.000 0.924 220 N CB 2.281 40.555 38.487 -0.356 0.000 1.186 220 N HN -0.416 8.113 8.380 -0.146 -0.237 0.492 221 E N 1.578 121.773 120.200 -0.007 0.000 2.301 221 E HA 0.180 nan 4.350 nan 0.000 0.275 221 E C -0.871 175.754 176.600 0.041 0.000 1.030 221 E CA 0.156 56.534 56.400 -0.037 0.000 0.852 221 E CB 1.004 30.636 29.700 -0.113 0.000 1.060 221 E HN 0.355 8.715 8.360 -0.000 0.000 0.401 222 Q N -1.223 118.541 119.800 -0.061 0.000 2.511 222 Q HA 0.508 nan 4.340 nan 0.000 0.289 222 Q C -1.681 174.193 176.000 -0.211 0.000 1.021 222 Q CA -2.131 53.657 55.803 -0.026 0.000 0.785 222 Q CB 2.904 31.756 28.738 0.190 0.000 1.472 222 Q HN 0.513 8.708 8.270 -0.126 0.000 0.411 223 W N -0.187 121.114 121.300 0.002 0.000 2.331 223 W HA 0.111 nan 4.660 nan 0.000 0.306 223 W C -0.759 175.946 176.519 0.309 0.000 1.162 223 W CA 0.009 57.376 57.345 0.037 0.000 1.232 223 W CB 0.678 29.999 29.460 -0.232 0.000 1.235 223 W HN 0.397 8.722 8.180 0.242 0.000 0.479 224 D N 4.085 124.830 120.400 0.575 0.000 2.252 224 D HA 0.780 nan 4.640 nan 0.000 0.245 224 D C -1.177 175.432 176.300 0.516 0.000 1.009 224 D CA -1.042 53.306 54.000 0.580 0.000 0.870 224 D CB 3.975 44.964 40.800 0.316 0.000 1.251 224 D HN 0.543 9.044 8.370 0.402 0.110 0.460 225 S N -0.165 115.717 115.700 0.303 0.000 2.566 225 S HA 0.618 nan 4.470 nan 0.000 0.298 225 S C 1.125 175.691 174.600 -0.057 0.000 1.083 225 S CA -1.906 56.245 58.200 -0.081 0.000 0.978 225 S CB 2.796 65.706 63.200 -0.483 0.000 1.073 225 S HN 0.336 8.901 8.310 0.424 0.000 0.491 226 K N 4.577 124.912 120.400 -0.108 0.000 2.074 226 K HA -0.298 nan 4.320 nan 0.000 0.209 226 K C 1.256 177.775 176.600 -0.133 0.000 1.048 226 K CA 2.867 59.091 56.287 -0.105 0.000 0.926 226 K CB -0.438 32.005 32.500 -0.096 0.000 0.713 226 K HN 0.856 9.029 8.250 -0.128 0.000 0.444 227 S N -2.762 112.829 115.700 -0.181 0.000 2.595 227 S HA -0.111 nan 4.470 nan 0.000 0.235 227 S C 0.765 175.134 174.600 -0.385 0.000 0.974 227 S CA 0.789 58.810 58.200 -0.298 0.000 0.942 227 S CB -0.176 62.771 63.200 -0.423 0.000 0.766 227 S HN -0.270 7.933 8.310 -0.174 0.004 0.536 228 G N -0.549 108.150 108.800 -0.170 0.000 2.175 228 G HA2 -0.382 nan 3.960 nan 0.000 0.244 228 G HA3 -0.382 nan 3.960 nan 0.000 0.244 228 G C -1.154 173.868 174.900 0.203 0.000 0.982 228 G CA 0.005 45.127 45.100 0.038 0.000 0.641 228 G HN -0.091 7.983 8.290 -0.094 0.159 0.527 229 Y N 1.019 121.474 120.300 0.259 0.000 2.309 229 Y HA 0.146 nan 4.550 nan 0.000 0.327 229 Y C -1.340 174.873 175.900 0.522 0.000 1.172 229 Y CA -0.989 57.298 58.100 0.312 0.000 1.280 229 Y CB 0.456 39.093 38.460 0.296 0.000 1.234 229 Y HN -0.707 7.444 8.280 -0.102 0.067 0.512 230 M N -0.436 119.494 119.600 0.549 0.000 2.796 230 M HA 0.756 nan 4.480 nan 0.000 0.303 230 M C -1.557 174.837 176.300 0.156 0.000 1.240 230 M CA -1.751 53.809 55.300 0.434 0.000 0.831 230 M CB 4.237 36.943 32.600 0.176 0.000 1.750 230 M HN -0.132 8.392 8.290 0.390 0.000 0.484 231 M N -2.587 117.026 119.600 0.022 0.000 2.465 231 M HA 0.418 nan 4.480 nan 0.000 0.284 231 M C -1.780 174.502 176.300 -0.030 0.000 1.212 231 M CA -1.128 54.087 55.300 -0.143 0.000 0.910 231 M CB 4.658 37.018 32.600 -0.401 0.000 1.725 231 M HN 0.554 8.939 8.290 0.158 0.000 0.477 232 L N 1.563 122.709 121.223 -0.128 0.000 2.436 232 L HA 0.270 nan 4.340 nan 0.000 0.265 232 L C -0.830 176.075 176.870 0.058 0.000 1.168 232 L CA -1.676 53.064 54.840 -0.166 0.000 0.815 232 L CB -0.998 40.876 42.059 -0.308 0.000 1.109 232 L HN 0.106 8.518 8.230 -0.178 -0.289 0.462 233 P HA -0.328 nan 4.420 nan 0.000 0.217 233 P C 1.203 178.602 177.300 0.165 0.000 1.158 233 P CA 3.156 66.401 63.100 0.242 0.000 0.887 233 P CB -0.048 31.759 31.700 0.179 0.000 0.792 234 T N -6.635 107.976 114.554 0.095 0.000 2.881 234 T HA -0.294 nan 4.350 nan 0.000 0.270 234 T C 1.391 176.136 174.700 0.076 0.000 1.068 234 T CA 3.430 65.602 62.100 0.119 0.000 1.131 234 T CB -0.872 68.079 68.868 0.139 0.000 0.871 234 T HN -0.220 8.047 8.240 0.045 0.000 0.479 235 D N 1.101 121.515 120.400 0.022 0.000 2.123 235 D HA -0.125 nan 4.640 nan 0.000 0.200 235 D C 1.920 178.138 176.300 -0.136 0.000 0.976 235 D CA 2.790 56.758 54.000 -0.052 0.000 0.831 235 D CB -0.151 40.590 40.800 -0.098 0.000 0.974 235 D HN -0.566 7.686 8.370 0.014 0.127 0.469 236 Y N 1.981 122.113 120.300 -0.280 0.000 2.352 236 Y HA -0.376 nan 4.550 nan 0.000 0.292 236 Y C 1.655 177.397 175.900 -0.264 0.000 1.136 236 Y CA 2.908 60.728 58.100 -0.467 0.000 1.227 236 Y CB 0.245 38.213 38.460 -0.819 0.000 0.991 236 Y HN -0.071 8.226 8.280 0.029 0.000 0.545 237 S N 0.043 115.731 115.700 -0.019 0.000 2.413 237 S HA -0.418 nan 4.470 nan 0.000 0.237 237 S C 1.696 176.312 174.600 0.027 0.000 1.044 237 S CA 4.081 62.309 58.200 0.046 0.000 1.024 237 S CB -0.655 62.645 63.200 0.167 0.000 0.829 237 S HN 0.023 8.374 8.310 0.074 0.004 0.475 238 L N -2.743 118.430 121.223 -0.083 0.000 2.275 238 L HA -0.223 nan 4.340 nan 0.000 0.215 238 L C 0.739 177.551 176.870 -0.096 0.000 1.119 238 L CA 2.208 57.004 54.840 -0.073 0.000 0.790 238 L CB -0.165 41.787 42.059 -0.177 0.000 0.919 238 L HN -0.765 7.344 8.230 -0.141 0.036 0.443 239 I N -8.634 111.770 120.570 -0.276 0.000 3.645 239 I HA -0.079 nan 4.170 nan 0.000 0.300 239 I C 1.138 177.126 176.117 -0.214 0.000 1.260 239 I CA 0.990 62.127 61.300 -0.271 0.000 1.365 239 I CB 0.440 38.193 38.000 -0.411 0.000 1.077 239 I HN -0.380 7.557 8.210 -0.433 0.013 0.439 240 Q N 0.128 119.806 119.800 -0.203 0.000 2.172 240 Q HA -0.203 nan 4.340 nan 0.000 0.200 240 Q C 0.339 176.325 176.000 -0.023 0.000 0.964 240 Q CA 1.970 57.724 55.803 -0.082 0.000 0.855 240 Q CB 0.539 29.267 28.738 -0.016 0.000 0.918 240 Q HN -0.488 7.530 8.270 -0.262 0.095 0.444 241 D N -0.927 119.478 120.400 0.008 0.000 2.225 241 D HA 0.343 nan 4.640 nan 0.000 0.248 241 D C -0.933 175.344 176.300 -0.038 0.000 1.096 241 D CA -2.971 51.009 54.000 -0.033 0.000 0.863 241 D CB 1.764 42.495 40.800 -0.115 0.000 1.156 241 D HN -0.649 7.751 8.370 0.048 0.000 0.450 242 P HA -0.196 nan 4.420 nan 0.000 0.216 242 P C 1.380 178.649 177.300 -0.051 0.000 1.153 242 P CA 2.387 65.458 63.100 -0.049 0.000 0.848 242 P CB 0.482 32.154 31.700 -0.047 0.000 0.787 243 K N -1.391 118.956 120.400 -0.088 0.000 2.025 243 K HA -0.258 nan 4.320 nan 0.000 0.207 243 K C 2.896 179.520 176.600 0.039 0.000 1.049 243 K CA 3.050 59.299 56.287 -0.064 0.000 0.933 243 K CB -0.319 32.107 32.500 -0.123 0.000 0.714 243 K HN -0.663 7.599 8.250 -0.133 -0.093 0.438 244 Y N -1.040 119.219 120.300 -0.068 0.000 2.070 244 Y HA -0.320 nan 4.550 nan 0.000 0.280 244 Y C 2.407 178.234 175.900 -0.121 0.000 1.148 244 Y CA 0.826 58.874 58.100 -0.087 0.000 1.125 244 Y CB -0.645 37.776 38.460 -0.065 0.000 0.975 244 Y HN -0.472 8.065 8.280 -0.092 -0.312 0.492 245 L N -1.534 119.726 121.223 0.061 0.000 2.089 245 L HA -0.455 nan 4.340 nan 0.000 0.213 245 L C 1.742 178.565 176.870 -0.078 0.000 1.079 245 L CA 3.091 57.910 54.840 -0.036 0.000 0.758 245 L CB -0.434 41.598 42.059 -0.046 0.000 0.891 245 L HN 0.272 8.555 8.230 0.087 0.000 0.433 246 S N -0.785 114.872 115.700 -0.071 0.000 2.402 246 S HA -0.318 nan 4.470 nan 0.000 0.229 246 S C 2.381 176.875 174.600 -0.177 0.000 1.021 246 S CA 3.266 61.405 58.200 -0.102 0.000 0.974 246 S CB -0.419 62.735 63.200 -0.078 0.000 0.800 246 S HN -0.490 7.780 8.310 -0.043 0.015 0.484 247 I N 2.463 122.903 120.570 -0.217 0.000 2.286 247 I HA -0.378 nan 4.170 nan 0.000 0.245 247 I C 1.362 177.109 176.117 -0.617 0.000 1.104 247 I CA 3.556 64.594 61.300 -0.436 0.000 1.397 247 I CB -0.232 37.553 38.000 -0.358 0.000 1.072 247 I HN -0.617 7.513 8.210 -0.133 0.000 0.417 248 V N 0.691 120.365 119.914 -0.400 0.000 2.324 248 V HA -0.580 nan 4.120 nan 0.000 0.250 248 V C 2.005 177.924 176.094 -0.291 0.000 1.060 248 V CA 4.941 67.024 62.300 -0.363 0.000 1.042 248 V CB -1.249 30.499 31.823 -0.125 0.000 0.650 248 V HN -0.176 7.858 8.190 -0.260 0.000 0.450 249 K N -1.983 118.290 120.400 -0.212 0.000 2.097 249 K HA -0.369 nan 4.320 nan 0.000 0.205 249 K C 2.122 178.623 176.600 -0.164 0.000 1.050 249 K CA 3.506 59.706 56.287 -0.145 0.000 0.938 249 K CB -0.392 32.045 32.500 -0.106 0.000 0.718 249 K HN -0.099 8.034 8.250 -0.195 0.000 0.442 250 E N -0.071 119.976 120.200 -0.254 0.000 2.058 250 E HA -0.328 nan 4.350 nan 0.000 0.194 250 E C 2.246 178.771 176.600 -0.125 0.000 0.997 250 E CA 3.029 59.291 56.400 -0.231 0.000 0.801 250 E CB 0.034 29.519 29.700 -0.358 0.000 0.746 250 E HN -0.664 7.450 8.360 -0.297 0.067 0.450 251 Y N -3.534 116.606 120.300 -0.267 0.000 2.314 251 Y HA -0.170 nan 4.550 nan 0.000 0.293 251 Y C 2.536 178.314 175.900 -0.203 0.000 1.129 251 Y CA 0.364 58.273 58.100 -0.320 0.000 1.201 251 Y CB -0.356 37.582 38.460 -0.870 0.000 0.999 251 Y HN -0.346 7.551 8.280 -0.639 0.000 0.541 252 A N -0.910 121.894 122.820 -0.027 0.000 2.015 252 A HA -0.185 nan 4.320 nan 0.000 0.219 252 A C 1.014 178.616 177.584 0.030 0.000 1.163 252 A CA 2.368 54.430 52.037 0.043 0.000 0.646 252 A CB -0.480 18.538 19.000 0.031 0.000 0.806 252 A HN -0.206 7.863 8.150 -0.134 0.000 0.448 253 N N -3.496 115.211 118.700 0.012 0.000 2.280 253 N HA 0.050 nan 4.740 nan 0.000 0.192 253 N C -1.327 174.201 175.510 0.029 0.000 1.109 253 N CA 0.772 53.830 53.050 0.013 0.000 0.855 253 N CB 1.168 39.650 38.487 -0.007 0.000 0.974 253 N HN -0.679 7.677 8.380 -0.011 0.017 0.482 254 D N -0.049 120.390 120.400 0.064 0.000 2.411 254 D HA 0.287 nan 4.640 nan 0.000 0.239 254 D C -0.491 175.869 176.300 0.099 0.000 1.307 254 D CA -0.230 53.813 54.000 0.071 0.000 0.930 254 D CB 0.444 41.297 40.800 0.087 0.000 1.395 254 D HN -0.883 7.410 8.370 0.086 0.128 0.536 255 Q N 3.362 123.183 119.800 0.034 0.000 2.170 255 Q HA -0.419 nan 4.340 nan 0.000 0.203 255 Q C 1.190 177.107 176.000 -0.138 0.000 0.976 255 Q CA 3.306 59.101 55.803 -0.014 0.000 0.858 255 Q CB -0.231 28.418 28.738 -0.149 0.000 0.907 255 Q HN 0.369 8.646 8.270 0.011 0.000 0.433 256 D N 0.745 121.075 120.400 -0.116 0.000 2.117 256 D HA -0.275 nan 4.640 nan 0.000 0.197 256 D C 1.923 178.255 176.300 0.054 0.000 0.987 256 D CA 3.362 57.321 54.000 -0.068 0.000 0.829 256 D CB -0.082 40.696 40.800 -0.038 0.000 0.961 256 D HN 0.076 8.392 8.370 -0.090 0.000 0.460 257 K N -0.317 120.142 120.400 0.100 0.000 2.097 257 K HA -0.236 nan 4.320 nan 0.000 0.206 257 K C 1.944 178.642 176.600 0.163 0.000 1.049 257 K CA 2.113 58.495 56.287 0.157 0.000 0.933 257 K CB -0.476 32.147 32.500 0.204 0.000 0.717 257 K HN -0.572 8.049 8.250 0.090 -0.317 0.442 258 F N 1.481 121.389 119.950 -0.070 0.000 2.051 258 F HA -0.348 nan 4.527 nan 0.000 0.296 258 F C 1.657 177.502 175.800 0.074 0.000 1.122 258 F CA 2.110 59.884 58.000 -0.377 0.000 1.201 258 F CB -0.357 38.492 39.000 -0.251 0.000 0.978 258 F HN -0.531 7.908 8.300 0.231 0.000 0.472 259 F N -1.279 118.437 119.950 -0.390 0.000 2.063 259 F HA -0.559 nan 4.527 nan 0.000 0.298 259 F C 2.186 177.890 175.800 -0.160 0.000 1.109 259 F CA 3.228 61.018 58.000 -0.349 0.000 1.212 259 F CB -0.984 37.914 39.000 -0.170 0.000 0.973 259 F HN 0.010 8.478 8.300 0.280 0.000 0.480 260 K N -1.587 118.886 120.400 0.122 0.000 2.032 260 K HA -0.389 nan 4.320 nan 0.000 0.209 260 K C 2.437 179.072 176.600 0.057 0.000 1.048 260 K CA 3.497 59.830 56.287 0.075 0.000 0.927 260 K CB -0.469 32.079 32.500 0.081 0.000 0.712 260 K HN -0.436 7.907 8.250 0.155 0.000 0.441 261 D N -0.468 119.975 120.400 0.072 0.000 2.183 261 D HA -0.167 nan 4.640 nan 0.000 0.203 261 D C 2.268 178.617 176.300 0.082 0.000 0.969 261 D CA 2.917 56.974 54.000 0.095 0.000 0.842 261 D CB -0.262 40.645 40.800 0.178 0.000 0.957 261 D HN -0.367 8.047 8.370 0.073 0.000 0.484 262 F N 1.237 121.122 119.950 -0.108 0.000 2.146 262 F HA -0.335 nan 4.527 nan 0.000 0.298 262 F C 1.322 177.094 175.800 -0.046 0.000 1.096 262 F CA 3.347 61.287 58.000 -0.100 0.000 1.275 262 F CB 0.497 39.311 39.000 -0.311 0.000 1.008 262 F HN 0.056 8.383 8.300 0.046 0.000 0.480 263 S N -0.819 114.889 115.700 0.014 0.000 2.368 263 S HA -0.400 nan 4.470 nan 0.000 0.225 263 S C 2.159 176.734 174.600 -0.042 0.000 1.030 263 S CA 3.942 62.133 58.200 -0.015 0.000 0.999 263 S CB -0.230 62.974 63.200 0.006 0.000 0.844 263 S HN -0.281 8.073 8.310 0.074 0.000 0.459 264 K N 0.815 121.195 120.400 -0.033 0.000 2.057 264 K HA -0.289 nan 4.320 nan 0.000 0.206 264 K C 2.154 178.720 176.600 -0.057 0.000 1.050 264 K CA 3.205 59.471 56.287 -0.035 0.000 0.935 264 K CB -0.024 32.470 32.500 -0.010 0.000 0.715 264 K HN -0.638 7.606 8.250 -0.010 0.000 0.439 265 A N -1.034 121.738 122.820 -0.080 0.000 2.016 265 A HA -0.088 nan 4.320 nan 0.000 0.217 265 A C 2.035 179.557 177.584 -0.103 0.000 1.162 265 A CA 2.708 54.696 52.037 -0.082 0.000 0.662 265 A CB -0.678 18.278 19.000 -0.074 0.000 0.812 265 A HN -0.336 7.767 8.150 -0.078 0.000 0.450 266 F N -0.163 119.528 119.950 -0.431 0.000 2.187 266 F HA -0.241 nan 4.527 nan 0.000 0.295 266 F C 1.251 176.953 175.800 -0.165 0.000 1.091 266 F CA 2.310 60.062 58.000 -0.413 0.000 1.308 266 F CB 0.657 39.205 39.000 -0.752 0.000 1.030 266 F HN 0.341 8.467 8.300 -0.251 0.024 0.487 267 E N -0.146 119.997 120.200 -0.094 0.000 2.072 267 E HA -0.474 nan 4.350 nan 0.000 0.191 267 E C 1.899 178.414 176.600 -0.142 0.000 0.985 267 E CA 3.214 59.543 56.400 -0.119 0.000 0.801 267 E CB -0.157 29.504 29.700 -0.065 0.000 0.750 267 E HN -0.313 8.025 8.360 -0.036 0.000 0.452 268 K N -0.764 119.569 120.400 -0.111 0.000 2.103 268 K HA -0.313 nan 4.320 nan 0.000 0.207 268 K C 2.324 178.849 176.600 -0.125 0.000 1.048 268 K CA 3.008 59.233 56.287 -0.102 0.000 0.930 268 K CB -0.034 32.431 32.500 -0.058 0.000 0.716 268 K HN -0.406 7.789 8.250 -0.092 0.000 0.444 269 L N -1.692 119.466 121.223 -0.109 0.000 2.083 269 L HA -0.292 nan 4.340 nan 0.000 0.209 269 L C 1.012 177.799 176.870 -0.139 0.000 1.083 269 L CA 2.859 57.656 54.840 -0.072 0.000 0.752 269 L CB -0.017 42.054 42.059 0.019 0.000 0.899 269 L HN -0.443 7.725 8.230 -0.103 0.000 0.433 270 L N -5.629 115.463 121.223 -0.218 0.000 2.341 270 L HA -0.163 nan 4.340 nan 0.000 0.214 270 L C 2.842 179.644 176.870 -0.113 0.000 1.115 270 L CA 2.163 56.901 54.840 -0.170 0.000 0.820 270 L CB -0.069 41.869 42.059 -0.201 0.000 0.944 270 L HN -0.719 7.345 8.230 -0.275 0.000 0.452 271 E N -1.173 118.952 120.200 -0.125 0.000 2.472 271 E HA -0.066 nan 4.350 nan 0.000 0.196 271 E C -0.051 176.447 176.600 -0.170 0.000 1.033 271 E CA 0.448 56.817 56.400 -0.052 0.000 0.886 271 E CB 0.308 30.009 29.700 0.002 0.000 0.944 271 E HN -0.369 7.867 8.360 -0.151 0.034 0.492 272 N N 0.338 118.804 118.700 -0.390 0.000 2.458 272 N HA -0.194 nan 4.740 nan 0.000 0.258 272 N C 0.213 175.161 175.510 -0.937 0.000 1.219 272 N CA 1.734 54.273 53.050 -0.851 0.000 0.902 272 N CB -0.000 37.668 38.487 -1.365 0.000 1.076 272 N HN -0.734 7.447 8.380 -0.331 0.000 0.455 273 G N 0.194 108.564 108.800 -0.718 0.000 2.195 273 G HA2 -0.368 nan 3.960 nan 0.000 0.246 273 G HA3 -0.368 nan 3.960 nan 0.000 0.246 273 G C -0.921 173.927 174.900 -0.087 0.000 0.984 273 G CA 0.444 45.444 45.100 -0.167 0.000 0.633 273 G HN 0.303 8.230 8.290 -0.605 0.000 0.525 274 I N 1.099 121.548 120.570 -0.201 0.000 2.392 274 I HA 0.172 nan 4.170 nan 0.000 0.295 274 I C -0.942 174.940 176.117 -0.392 0.000 0.985 274 I CA -0.868 60.224 61.300 -0.348 0.000 1.221 274 I CB 0.858 38.581 38.000 -0.462 0.000 1.366 274 I HN -0.659 7.352 8.210 -0.216 0.069 0.467 275 T N 8.396 122.707 114.554 -0.404 0.000 2.749 275 T HA 0.362 nan 4.350 nan 0.000 0.287 275 T C -1.201 173.273 174.700 -0.377 0.000 0.970 275 T CA -0.500 61.444 62.100 -0.259 0.000 0.980 275 T CB 0.648 69.427 68.868 -0.148 0.000 0.924 275 T HN 0.920 8.811 8.240 -0.401 0.109 0.456 276 F N 6.623 126.539 119.950 -0.057 0.000 2.391 276 F HA 0.286 nan 4.527 nan 0.000 0.359 276 F C -1.366 174.405 175.800 -0.048 0.000 1.122 276 F CA -3.170 54.792 58.000 -0.062 0.000 1.120 276 F CB 0.042 38.984 39.000 -0.097 0.000 1.142 276 F HN 0.230 8.644 8.300 0.190 0.000 0.483 277 P HA 0.017 nan 4.420 nan 0.000 0.265 277 P C 0.314 177.645 177.300 0.052 0.000 1.193 277 P CA -0.589 62.541 63.100 0.050 0.000 0.765 277 P CB 0.673 32.394 31.700 0.036 0.000 0.823 278 K N 2.802 123.220 120.400 0.029 0.000 2.360 278 K HA -0.173 nan 4.320 nan 0.000 0.201 278 K C 0.326 176.930 176.600 0.007 0.000 1.046 278 K CA 2.077 58.373 56.287 0.015 0.000 0.945 278 K CB -0.260 32.244 32.500 0.006 0.000 0.750 278 K HN 0.465 8.729 8.250 0.024 0.000 0.464 279 D N -3.104 117.304 120.400 0.014 0.000 2.349 279 D HA -0.062 nan 4.640 nan 0.000 0.224 279 D C 0.109 176.416 176.300 0.013 0.000 1.029 279 D CA -0.288 53.719 54.000 0.011 0.000 0.879 279 D CB -0.722 40.088 40.800 0.016 0.000 0.906 279 D HN -0.412 7.936 8.370 0.019 0.034 0.528 280 A N 2.901 125.732 122.820 0.019 0.000 2.507 280 A HA 0.026 nan 4.320 nan 0.000 0.235 280 A C -1.631 175.929 177.584 -0.040 0.000 1.070 280 A CA -0.627 51.419 52.037 0.016 0.000 0.768 280 A CB -0.460 18.578 19.000 0.063 0.000 1.011 280 A HN -0.199 7.788 8.150 0.027 0.178 0.502 281 P HA -0.001 nan 4.420 nan 0.000 0.269 281 P C -0.475 176.673 177.300 -0.255 0.000 1.209 281 P CA -0.342 62.688 63.100 -0.117 0.000 0.776 281 P CB 0.505 32.163 31.700 -0.071 0.000 0.876 282 S N 2.589 118.158 115.700 -0.218 0.000 2.569 282 S HA -0.019 nan 4.470 nan 0.000 0.274 282 S C -1.149 173.187 174.600 -0.441 0.000 1.353 282 S CA 0.088 58.128 58.200 -0.266 0.000 1.023 282 S CB -0.588 62.510 63.200 -0.170 0.000 0.876 282 S HN 0.034 8.264 8.310 -0.133 0.000 0.540 283 P HA -0.013 nan 4.420 nan 0.000 0.265 283 P C -1.161 175.932 177.300 -0.345 0.000 1.193 283 P CA 0.393 63.228 63.100 -0.442 0.000 0.765 283 P CB 0.319 31.838 31.700 -0.302 0.000 0.823 284 F N 3.414 123.275 119.950 -0.149 0.000 2.396 284 F HA 0.130 nan 4.527 nan 0.000 0.343 284 F C -0.128 175.422 175.800 -0.417 0.000 1.104 284 F CA -0.990 56.847 58.000 -0.270 0.000 1.161 284 F CB 1.148 39.935 39.000 -0.355 0.000 1.146 284 F HN 0.606 8.650 8.300 -0.427 0.000 0.522 285 I N 2.882 123.352 120.570 -0.167 0.000 2.330 285 I HA 0.170 nan 4.170 nan 0.000 0.286 285 I C -1.060 174.955 176.117 -0.169 0.000 1.025 285 I CA -0.990 60.211 61.300 -0.166 0.000 1.197 285 I CB -0.120 37.831 38.000 -0.082 0.000 1.358 285 I HN 0.509 8.655 8.210 -0.105 0.000 0.467 286 F N 6.627 126.609 119.950 0.053 0.000 2.396 286 F HA 0.141 nan 4.527 nan 0.000 0.343 286 F C -0.164 175.455 175.800 -0.301 0.000 1.104 286 F CA -1.207 56.677 58.000 -0.194 0.000 1.161 286 F CB 0.392 38.979 39.000 -0.689 0.000 1.146 286 F HN 0.441 8.635 8.300 -0.176 0.000 0.522 287 K N 4.411 124.789 120.400 -0.038 0.000 2.382 287 K HA -0.045 nan 4.320 nan 0.000 0.275 287 K C 0.148 176.659 176.600 -0.149 0.000 1.009 287 K CA 0.714 56.966 56.287 -0.060 0.000 0.970 287 K CB 0.100 32.609 32.500 0.015 0.000 0.934 287 K HN 0.054 8.367 8.250 0.104 0.000 0.479 288 T N -2.431 112.133 114.554 0.017 0.000 2.849 288 T HA 0.237 nan 4.350 nan 0.000 0.284 288 T C 1.354 176.146 174.700 0.154 0.000 1.004 288 T CA -1.399 60.798 62.100 0.161 0.000 1.021 288 T CB 1.697 70.650 68.868 0.142 0.000 1.013 288 T HN 0.154 8.780 8.240 0.030 -0.368 0.527 289 L N 1.116 122.450 121.223 0.185 0.000 2.013 289 L HA -0.444 nan 4.340 nan 0.000 0.212 289 L C 1.921 178.839 176.870 0.080 0.000 1.073 289 L CA 3.808 58.717 54.840 0.115 0.000 0.753 289 L CB -0.488 41.629 42.059 0.096 0.000 0.890 289 L HN -0.099 8.484 8.230 0.246 -0.205 0.432 290 E N -0.773 119.473 120.200 0.076 0.000 2.070 290 E HA -0.406 nan 4.350 nan 0.000 0.197 290 E C 2.816 179.448 176.600 0.053 0.000 1.004 290 E CA 3.056 59.492 56.400 0.060 0.000 0.805 290 E CB -0.440 29.296 29.700 0.060 0.000 0.744 290 E HN 0.153 8.565 8.360 0.087 0.000 0.451 291 E N -2.636 117.597 120.200 0.054 0.000 2.338 291 E HA -0.204 nan 4.350 nan 0.000 0.197 291 E C 1.688 178.313 176.600 0.041 0.000 1.007 291 E CA 1.857 58.283 56.400 0.044 0.000 0.849 291 E CB -0.198 29.526 29.700 0.040 0.000 0.774 291 E HN -0.514 7.884 8.360 0.063 0.000 0.506 292 Q N -3.016 116.812 119.800 0.047 0.000 2.319 292 Q HA 0.036 nan 4.340 nan 0.000 0.202 292 Q C 0.703 176.727 176.000 0.040 0.000 0.896 292 Q CA -0.339 55.490 55.803 0.044 0.000 0.942 292 Q CB 0.706 29.474 28.738 0.049 0.000 1.083 292 Q HN -0.409 7.738 8.270 0.056 0.156 0.510 293 G N -1.249 107.575 108.800 0.040 0.000 2.166 293 G HA2 -0.417 nan 3.960 nan 0.000 0.260 293 G HA3 -0.417 nan 3.960 nan 0.000 0.260 293 G C -0.436 174.485 174.900 0.035 0.000 0.986 293 G CA 0.761 45.882 45.100 0.035 0.000 0.683 293 G HN -0.485 7.661 8.290 0.043 0.169 0.527 294 L N 0.000 121.248 121.223 0.042 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.864 54.840 0.040 0.000 0.813 294 L CB 0.000 42.087 42.059 0.046 0.000 0.961 294 L HN 0.000 8.216 8.230 0.047 0.043 0.502