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 1t8l_1_C DATA FIRST_RESID 1 DATA SEQUENCE cGVPAIQPVL SXXXXIVNGE EAVPGSWPWQ VSLQDKTGFH FcGGSLINEN DATA SEQUENCE WVVTAAHcGV TTSDVVVAGE FDQGSSSEKI QKLKIAKVFK NSKYNSLTIN DATA SEQUENCE NDITLLKLST AASFSQTVSA VcLPSASDDF AAGTTcVTTG WGLTRYXXAN DATA SEQUENCE TPDRLQQASL PLLSNTNcKK YWGTKIKDAM IcAGASGVSS cMGDSGGPLV DATA SEQUENCE cKKNGAWTLV GIVSWGSSTc STSTPGVYAR VTALVNWVQQ TLAAN 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 1 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.162 174.090 0.121 0.000 1.270 1 c CA 0.000 56.407 56.329 0.131 0.000 1.963 1 c CB 0.000 42.558 42.510 0.079 0.000 2.134 2 G N 0.083 108.950 108.800 0.111 0.000 2.205 2 G HA2 -0.115 3.849 3.960 0.006 0.000 0.269 2 G HA3 -0.115 3.849 3.960 0.006 0.000 0.269 2 G C -0.112 175.047 174.900 0.433 0.000 0.977 2 G CA 0.616 45.814 45.100 0.164 0.000 0.652 2 G HN 2.024 nan 8.290 nan 0.000 0.539 3 V N 1.640 121.771 119.914 0.362 0.000 2.289 3 V HA 0.376 4.500 4.120 0.006 0.000 0.272 3 V C -1.700 174.535 176.094 0.236 0.000 1.026 3 V CA -1.574 60.905 62.300 0.298 0.000 0.807 3 V CB 1.390 33.310 31.823 0.162 0.000 1.044 3 V HN 0.132 nan 8.190 nan 0.000 0.443 4 P HA 0.176 nan 4.420 nan 0.000 0.265 4 P C 0.912 178.187 177.300 -0.043 0.000 1.193 4 P CA 0.070 63.157 63.100 -0.022 0.000 0.765 4 P CB 1.127 32.678 31.700 -0.249 0.000 0.823 5 A N 3.856 126.634 122.820 -0.070 0.000 1.969 5 A HA -0.036 4.288 4.320 0.006 0.000 0.218 5 A C 0.966 178.493 177.584 -0.095 0.000 1.169 5 A CA 1.017 53.020 52.037 -0.057 0.000 0.635 5 A CB -0.615 18.353 19.000 -0.053 0.000 0.810 5 A HN 0.559 nan 8.150 nan 0.000 0.445 6 I N 0.586 121.061 120.570 -0.159 0.000 2.330 6 I HA 0.129 4.302 4.170 0.006 0.000 0.286 6 I C 0.137 176.101 176.117 -0.255 0.000 1.025 6 I CA -0.346 60.836 61.300 -0.196 0.000 1.197 6 I CB 1.270 39.127 38.000 -0.238 0.000 1.358 6 I HN 0.318 nan 8.210 nan 0.000 0.467 7 Q N 8.709 128.399 119.800 -0.184 0.000 2.274 7 Q HA 0.146 4.490 4.340 0.006 0.000 0.280 7 Q C -2.091 173.738 176.000 -0.284 0.000 1.047 7 Q CA -1.293 54.403 55.803 -0.180 0.000 0.907 7 Q CB 0.768 29.458 28.738 -0.080 0.000 1.171 7 Q HN 0.317 nan 8.270 nan 0.000 0.381 8 P HA 0.035 nan 4.420 nan 0.000 0.272 8 P C -1.115 176.061 177.300 -0.206 0.000 1.223 8 P CA -0.160 62.607 63.100 -0.555 0.000 0.784 8 P CB 0.930 31.912 31.700 -1.197 0.000 0.923 9 V N 3.847 123.680 119.914 -0.135 0.000 2.407 9 V HA 0.324 4.448 4.120 0.006 0.000 0.291 9 V C 0.226 176.339 176.094 0.033 0.000 1.018 9 V CA -0.487 61.794 62.300 -0.031 0.000 0.842 9 V CB 1.218 33.014 31.823 -0.046 0.000 0.996 9 V HN 0.369 nan 8.190 nan 0.000 0.426 10 L N 3.614 124.886 121.223 0.081 0.000 2.322 10 L HA 0.555 4.899 4.340 0.006 0.000 0.281 10 L C 0.689 177.603 176.870 0.074 0.000 1.014 10 L CA -0.052 54.852 54.840 0.105 0.000 0.815 10 L CB 2.070 44.230 42.059 0.168 0.000 1.247 10 L HN 0.589 nan 8.230 nan 0.000 0.421 17 V N 6.377 126.300 119.914 0.015 0.000 2.498 17 V HA 0.339 4.462 4.120 0.006 0.000 0.279 17 V C 1.006 177.106 176.094 0.011 0.000 1.048 17 V CA -0.091 62.223 62.300 0.023 0.000 0.967 17 V CB 1.158 33.003 31.823 0.037 0.000 0.988 17 V HN 0.975 nan 8.190 nan 0.000 0.473 18 N N 2.625 121.331 118.700 0.010 0.000 2.782 18 N HA -0.144 4.600 4.740 0.006 0.000 0.251 18 N C 0.487 175.997 175.510 -0.000 0.000 1.101 18 N CA 1.039 54.093 53.050 0.006 0.000 0.764 18 N CB -0.601 37.890 38.487 0.007 0.000 1.122 18 N HN 0.942 nan 8.380 nan 0.000 0.561 19 G N -0.045 108.750 108.800 -0.008 0.000 2.574 19 G HA2 0.562 4.525 3.960 0.006 0.000 0.248 19 G HA3 0.562 4.525 3.960 0.006 0.000 0.248 19 G C -0.142 174.753 174.900 -0.008 0.000 1.422 19 G CA 0.223 45.313 45.100 -0.017 0.000 1.051 19 G HN 0.422 nan 8.290 nan 0.000 0.560 20 E N -1.449 118.746 120.200 -0.009 0.000 2.433 20 E HA 0.375 4.729 4.350 0.006 0.000 0.278 20 E C -1.143 175.465 176.600 0.014 0.000 0.976 20 E CA -0.797 55.608 56.400 0.008 0.000 0.793 20 E CB 1.714 31.427 29.700 0.021 0.000 1.311 20 E HN 0.394 nan 8.360 nan 0.000 0.460 21 E N 0.879 121.101 120.200 0.036 0.000 2.376 21 E HA 0.312 4.666 4.350 0.006 0.000 0.266 21 E C -0.643 176.026 176.600 0.115 0.000 1.009 21 E CA -0.153 56.294 56.400 0.078 0.000 0.902 21 E CB 0.757 30.524 29.700 0.112 0.000 0.972 21 E HN 0.547 nan 8.360 nan 0.000 0.439 22 A N 3.663 126.584 122.820 0.169 0.000 2.304 22 A HA 0.270 4.594 4.320 0.006 0.000 0.271 22 A C -0.300 177.313 177.584 0.048 0.000 1.091 22 A CA -0.662 51.474 52.037 0.165 0.000 0.812 22 A CB 0.877 20.043 19.000 0.276 0.000 1.056 22 A HN 0.518 nan 8.150 nan 0.000 0.489 23 V N 2.923 122.766 119.914 -0.118 0.000 2.585 23 V HA 0.123 4.246 4.120 0.006 0.000 0.296 23 V C -2.016 173.812 176.094 -0.443 0.000 1.035 23 V CA -0.739 61.400 62.300 -0.269 0.000 1.084 23 V CB 0.558 32.218 31.823 -0.272 0.000 0.953 23 V HN 0.734 nan 8.190 nan 0.000 0.483 24 P HA 0.108 nan 4.420 nan 0.000 0.258 24 P C 0.932 177.945 177.300 -0.478 0.000 1.172 24 P CA 1.521 64.005 63.100 -1.027 0.000 0.762 24 P CB 0.267 31.296 31.700 -1.117 0.000 0.764 25 G N 3.075 111.695 108.800 -0.300 0.000 2.162 25 G HA2 -0.318 3.646 3.960 0.006 0.000 0.260 25 G HA3 -0.318 3.646 3.960 0.006 0.000 0.260 25 G C 1.044 175.732 174.900 -0.354 0.000 0.976 25 G CA 0.564 45.523 45.100 -0.234 0.000 0.655 25 G HN 0.600 nan 8.290 nan 0.000 0.533 26 S N -1.790 113.615 115.700 -0.492 0.000 2.607 26 S HA 0.205 4.679 4.470 0.006 0.000 0.224 26 S C 0.604 174.476 174.600 -1.214 0.000 0.969 26 S CA 0.548 58.277 58.200 -0.785 0.000 0.927 26 S CB -0.263 62.419 63.200 -0.864 0.000 0.772 26 S HN 0.641 nan 8.310 nan 0.000 0.533 27 W N 2.064 122.991 121.300 -0.623 0.000 1.890 27 W HA 0.408 5.072 4.660 0.006 0.000 0.293 27 W C -2.070 173.845 176.519 -1.007 0.000 0.895 27 W CA -2.096 54.617 57.345 -1.054 0.000 1.968 27 W CB 1.105 30.089 29.460 -0.795 0.000 2.198 27 W HN 0.068 nan 8.180 nan 0.000 0.401 28 P HA -0.221 nan 4.420 nan 0.000 0.222 28 P C 0.854 178.017 177.300 -0.229 0.000 1.142 28 P CA 1.797 64.660 63.100 -0.395 0.000 0.788 28 P CB 0.046 31.564 31.700 -0.304 0.000 0.767 29 W N -0.176 121.123 121.300 -0.002 0.000 3.003 29 W HA 0.327 4.991 4.660 0.006 0.000 0.257 29 W C 0.793 177.341 176.519 0.047 0.000 1.308 29 W CA -0.475 56.871 57.345 0.002 0.000 1.529 29 W CB -1.525 27.950 29.460 0.024 0.000 1.115 29 W HN -0.137 nan 8.180 nan 0.000 0.659 30 Q N 3.014 122.798 119.800 -0.027 0.000 2.271 30 Q HA 0.301 4.645 4.340 0.006 0.000 0.273 30 Q C -0.200 175.909 176.000 0.181 0.000 1.051 30 Q CA -0.079 55.771 55.803 0.078 0.000 0.901 30 Q CB 0.885 29.561 28.738 -0.105 0.000 1.174 30 Q HN 0.249 nan 8.270 nan 0.000 0.385 31 V N 0.911 120.964 119.914 0.233 0.000 3.046 31 V HA 0.821 4.944 4.120 0.006 0.000 0.316 31 V C -0.552 175.716 176.094 0.290 0.000 1.104 31 V CA -0.831 61.609 62.300 0.234 0.000 1.006 31 V CB 1.982 33.892 31.823 0.145 0.000 1.058 31 V HN 0.705 nan 8.190 nan 0.000 0.440 32 S N 2.101 117.895 115.700 0.157 0.000 2.449 32 S HA 0.699 5.173 4.470 0.006 0.000 0.310 32 S C -0.716 173.798 174.600 -0.144 0.000 1.096 32 S CA -0.714 57.517 58.200 0.051 0.000 1.095 32 S CB 0.506 63.582 63.200 -0.207 0.000 1.007 32 S HN 0.748 nan 8.310 nan 0.000 0.474 33 L N 5.041 126.024 121.223 -0.400 0.000 2.264 33 L HA 0.513 4.856 4.340 0.006 0.000 0.289 33 L C 0.107 176.529 176.870 -0.747 0.000 1.044 33 L CA -0.410 54.083 54.840 -0.579 0.000 0.807 33 L CB 1.182 42.738 42.059 -0.840 0.000 1.192 33 L HN 0.673 nan 8.230 nan 0.000 0.425 34 Q N 1.340 121.014 119.800 -0.210 0.000 2.433 34 Q HA 0.331 4.675 4.340 0.006 0.000 0.279 34 Q C -1.146 175.065 176.000 0.351 0.000 1.105 34 Q CA -1.073 54.779 55.803 0.082 0.000 0.815 34 Q CB 2.714 31.457 28.738 0.009 0.000 1.403 34 Q HN 0.625 nan 8.270 nan 0.000 0.435 35 D N -0.063 120.571 120.400 0.390 0.000 2.447 35 D HA -0.002 4.641 4.640 0.006 0.000 0.265 35 D C 0.621 177.005 176.300 0.141 0.000 1.250 35 D CA -0.441 53.698 54.000 0.232 0.000 1.046 35 D CB 0.535 41.422 40.800 0.146 0.000 1.095 35 D HN 0.595 nan 8.370 nan 0.000 0.555 36 K N -1.664 118.785 120.400 0.082 0.000 2.442 36 K HA -0.139 4.184 4.320 0.006 0.000 0.198 36 K C 1.325 177.957 176.600 0.053 0.000 1.044 36 K CA 1.548 57.867 56.287 0.053 0.000 0.948 36 K CB -0.709 31.807 32.500 0.027 0.000 0.762 36 K HN 0.537 nan 8.250 nan 0.000 0.472 37 T N -3.766 110.833 114.554 0.074 0.000 3.044 37 T HA 0.279 4.633 4.350 0.006 0.000 0.250 37 T C 1.343 176.095 174.700 0.086 0.000 1.081 37 T CA 0.260 62.403 62.100 0.071 0.000 1.040 37 T CB 0.436 69.347 68.868 0.071 0.000 0.962 37 T HN 0.449 nan 8.240 nan 0.000 0.506 38 G N 0.960 109.823 108.800 0.105 0.000 2.148 38 G HA2 -0.169 3.795 3.960 0.006 0.000 0.203 38 G HA3 -0.169 3.795 3.960 0.006 0.000 0.203 38 G C -0.242 174.716 174.900 0.098 0.000 0.993 38 G CA -0.255 44.886 45.100 0.068 0.000 0.661 38 G HN 0.602 nan 8.290 nan 0.000 0.518 39 F N 2.818 122.799 119.950 0.052 0.000 2.471 39 F HA 0.589 5.119 4.527 0.005 0.000 0.365 39 F C 0.881 176.766 175.800 0.142 0.000 1.095 39 F CA -0.922 57.128 58.000 0.084 0.000 1.174 39 F CB 0.358 39.409 39.000 0.085 0.000 1.105 39 F HN 0.298 nan 8.300 nan 0.000 0.535 40 H N 7.061 125.767 119.070 -0.608 0.000 2.899 40 H HA 0.170 4.730 4.556 0.006 0.000 0.303 40 H C 0.124 175.224 175.328 -0.380 0.000 1.042 40 H CA 0.211 55.977 56.048 -0.469 0.000 1.479 40 H CB 0.305 29.766 29.762 -0.502 0.000 1.493 40 H HN 0.619 nan 8.280 nan 0.000 0.534 41 F N 1.295 120.933 119.950 -0.519 0.000 2.784 41 F HA 0.442 4.972 4.527 0.005 0.000 0.323 41 F C -0.382 175.251 175.800 -0.279 0.000 1.085 41 F CA -0.704 57.173 58.000 -0.205 0.000 1.196 41 F CB -0.031 39.006 39.000 0.062 0.000 1.053 41 F HN 0.425 nan 8.300 nan 0.000 0.578 42 c N 0.256 118.218 118.600 -1.062 0.000 3.306 42 c HA 0.748 5.321 4.570 0.006 0.000 0.335 42 c C 0.534 174.319 174.090 -0.510 0.000 1.382 42 c CA -0.560 55.421 56.329 -0.579 0.000 1.254 42 c CB 1.190 43.458 42.510 -0.403 0.000 1.555 42 c HN 0.684 nan 8.230 nan 0.000 0.463 43 G N -0.243 108.493 108.800 -0.108 0.000 2.705 43 G HA2 0.855 4.818 3.960 0.006 0.000 0.299 43 G HA3 0.855 4.818 3.960 0.006 0.000 0.299 43 G C -0.366 174.542 174.900 0.014 0.000 1.315 43 G CA 0.134 45.277 45.100 0.072 0.000 1.045 43 G HN 1.494 nan 8.290 nan 0.000 0.517 44 G N -1.842 107.010 108.800 0.087 0.000 2.506 44 G HA2 0.526 4.490 3.960 0.006 0.000 0.292 44 G HA3 0.526 4.490 3.960 0.006 0.000 0.292 44 G C -1.437 173.556 174.900 0.156 0.000 1.425 44 G CA -0.289 44.866 45.100 0.092 0.000 0.788 44 G HN 0.905 nan 8.290 nan 0.000 0.490 45 S N -0.400 115.402 115.700 0.170 0.000 2.557 45 S HA 0.537 5.010 4.470 0.006 0.000 0.291 45 S C -0.304 174.428 174.600 0.220 0.000 1.116 45 S CA -0.516 57.824 58.200 0.233 0.000 0.992 45 S CB 1.472 64.779 63.200 0.179 0.000 1.028 45 S HN 0.572 nan 8.310 nan 0.000 0.484 46 L N 3.779 125.163 121.223 0.269 0.000 2.410 46 L HA 0.336 4.680 4.340 0.006 0.000 0.273 46 L C 1.219 178.236 176.870 0.245 0.000 1.152 46 L CA -0.017 54.984 54.840 0.267 0.000 0.855 46 L CB 0.386 42.610 42.059 0.275 0.000 1.129 46 L HN 0.782 nan 8.230 nan 0.000 0.463 47 I N -0.507 120.208 120.570 0.242 0.000 4.070 47 I HA 0.303 4.476 4.170 0.006 0.000 0.328 47 I C 0.075 176.329 176.117 0.228 0.000 1.298 47 I CA -0.195 61.209 61.300 0.174 0.000 1.173 47 I CB 0.218 38.280 38.000 0.103 0.000 1.051 47 I HN 0.738 nan 8.210 nan 0.000 0.409 48 N N 0.103 119.006 118.700 0.338 0.000 3.373 48 N HA 0.004 4.747 4.740 0.006 0.000 0.275 48 N C 0.357 176.069 175.510 0.338 0.000 1.489 48 N CA -0.194 53.053 53.050 0.329 0.000 0.872 48 N CB 0.263 38.854 38.487 0.173 0.000 1.555 48 N HN 0.031 nan 8.380 nan 0.000 0.500 49 E N -0.374 119.805 120.200 -0.035 0.000 2.338 49 E HA -0.125 4.228 4.350 0.006 0.000 0.197 49 E C -0.375 176.263 176.600 0.062 0.000 1.007 49 E CA 1.205 57.539 56.400 -0.109 0.000 0.849 49 E CB -0.388 29.049 29.700 -0.438 0.000 0.774 49 E HN 0.578 nan 8.360 nan 0.000 0.506 50 N N -0.743 118.027 118.700 0.117 0.000 2.184 50 N HA 0.077 4.821 4.740 0.006 0.000 0.206 50 N C -0.834 174.581 175.510 -0.159 0.000 1.151 50 N CA 0.101 53.147 53.050 -0.007 0.000 0.878 50 N CB 0.412 38.885 38.487 -0.023 0.000 1.014 50 N HN 0.095 nan 8.380 nan 0.000 0.512 51 W N 0.528 121.864 121.300 0.060 0.000 2.915 51 W HA 0.561 5.225 4.660 0.006 0.000 0.337 51 W C -0.606 175.969 176.519 0.093 0.000 1.102 51 W CA -0.557 56.822 57.345 0.057 0.000 1.224 51 W CB 1.265 30.727 29.460 0.003 0.000 1.416 51 W HN -0.440 nan 8.180 nan 0.000 0.503 52 V N 3.258 123.364 119.914 0.319 0.000 2.656 52 V HA 0.557 4.681 4.120 0.006 0.000 0.307 52 V C -0.911 175.332 176.094 0.248 0.000 1.051 52 V CA -1.183 61.262 62.300 0.241 0.000 0.893 52 V CB 1.842 33.764 31.823 0.166 0.000 0.999 52 V HN 0.340 nan 8.190 nan 0.000 0.426 53 V N 4.514 124.550 119.914 0.203 0.000 2.483 53 V HA 0.842 4.966 4.120 0.006 0.000 0.295 53 V C 0.003 176.182 176.094 0.141 0.000 1.035 53 V CA 0.513 62.928 62.300 0.191 0.000 0.896 53 V CB 1.954 33.876 31.823 0.165 0.000 0.986 53 V HN 1.103 nan 8.190 nan 0.000 0.447 54 T N 4.329 118.958 114.554 0.125 0.000 2.618 54 T HA 0.772 5.126 4.350 0.006 0.000 0.293 54 T C -0.636 174.075 174.700 0.019 0.000 1.093 54 T CA 0.127 62.261 62.100 0.057 0.000 1.061 54 T CB 1.566 70.450 68.868 0.026 0.000 1.498 54 T HN 1.206 nan 8.240 nan 0.000 0.494 55 A N 0.294 123.070 122.820 -0.075 0.000 2.304 55 A HA 0.751 5.074 4.320 0.006 0.000 0.301 55 A C 1.400 178.830 177.584 -0.258 0.000 1.132 55 A CA 0.219 52.161 52.037 -0.158 0.000 0.819 55 A CB 0.410 19.248 19.000 -0.270 0.000 1.094 55 A HN 1.160 nan 8.150 nan 0.000 0.492 56 A N 0.800 123.424 122.820 -0.328 0.000 1.969 56 A HA -0.109 4.215 4.320 0.006 0.000 0.218 56 A C 1.732 179.000 177.584 -0.526 0.000 1.169 56 A CA 1.636 53.370 52.037 -0.504 0.000 0.635 56 A CB -0.947 17.500 19.000 -0.922 0.000 0.810 56 A HN 1.063 nan 8.150 nan 0.000 0.445 57 H N -1.867 116.955 119.070 -0.413 0.000 2.545 57 H HA -0.041 4.518 4.556 0.006 0.000 0.282 57 H C 1.660 176.978 175.328 -0.018 0.000 1.020 57 H CA 1.214 57.170 56.048 -0.153 0.000 1.243 57 H CB -0.817 28.956 29.762 0.018 0.000 1.377 57 H HN 0.401 nan 8.280 nan 0.000 0.581 58 c N 1.117 119.493 118.600 -0.374 0.000 2.437 58 c HA 0.110 4.684 4.570 0.006 0.000 0.283 58 c C 2.029 176.157 174.090 0.064 0.000 1.424 58 c CA 0.924 57.211 56.329 -0.070 0.000 1.782 58 c CB -1.254 41.237 42.510 -0.031 0.000 1.833 58 c HN 0.917 nan 8.230 nan 0.000 0.532 59 G N 1.020 109.812 108.800 -0.013 0.000 2.305 59 G HA2 -0.224 3.740 3.960 0.006 0.000 0.287 59 G HA3 -0.224 3.740 3.960 0.006 0.000 0.287 59 G C 0.079 174.971 174.900 -0.013 0.000 1.036 59 G CA 0.357 45.445 45.100 -0.021 0.000 0.887 59 G HN 0.440 nan 8.290 nan 0.000 0.505 60 V N 0.739 120.703 119.914 0.083 0.000 2.763 60 V HA 0.514 4.638 4.120 0.006 0.000 0.306 60 V C 1.197 177.323 176.094 0.054 0.000 1.059 60 V CA 0.866 63.252 62.300 0.143 0.000 1.138 60 V CB 1.034 32.975 31.823 0.195 0.000 0.940 60 V HN 0.991 nan 8.190 nan 0.000 0.489 61 T N -0.561 114.017 114.554 0.040 0.000 2.887 61 T HA 0.332 4.685 4.350 0.006 0.000 0.292 61 T C 0.920 175.632 174.700 0.020 0.000 1.087 61 T CA 0.072 62.176 62.100 0.007 0.000 1.009 61 T CB 1.607 70.460 68.868 -0.026 0.000 1.203 61 T HN 0.767 nan 8.240 nan 0.000 0.518 62 T N -1.243 113.309 114.554 -0.002 0.000 3.155 62 T HA 0.015 4.369 4.350 0.006 0.000 0.264 62 T C 1.622 176.325 174.700 0.005 0.000 1.160 62 T CA 0.830 62.928 62.100 -0.003 0.000 1.075 62 T CB -0.632 68.223 68.868 -0.022 0.000 0.921 62 T HN 0.466 nan 8.240 nan 0.000 0.533 63 S N 1.007 116.710 115.700 0.006 0.000 2.501 63 S HA 0.106 4.580 4.470 0.006 0.000 0.220 63 S C 0.541 175.162 174.600 0.035 0.000 0.997 63 S CA -0.155 58.050 58.200 0.008 0.000 0.919 63 S CB -0.027 63.168 63.200 -0.008 0.000 0.778 63 S HN 0.593 nan 8.310 nan 0.000 0.523 64 D N 1.455 121.893 120.400 0.064 0.000 2.387 64 D HA 0.421 5.065 4.640 0.006 0.000 0.251 64 D C 0.126 176.487 176.300 0.102 0.000 1.141 64 D CA -0.145 53.936 54.000 0.135 0.000 0.987 64 D CB 1.447 42.407 40.800 0.267 0.000 1.116 64 D HN 0.146 nan 8.370 nan 0.000 0.491 65 V N -2.423 117.553 119.914 0.103 0.000 2.914 65 V HA 0.618 4.742 4.120 0.006 0.000 0.314 65 V C -0.461 175.647 176.094 0.023 0.000 1.084 65 V CA -0.903 61.428 62.300 0.051 0.000 0.963 65 V CB 1.845 33.690 31.823 0.036 0.000 1.025 65 V HN 0.199 nan 8.190 nan 0.000 0.432 66 V N 3.492 123.416 119.914 0.017 0.000 2.370 66 V HA 0.461 4.584 4.120 0.006 0.000 0.279 66 V C -0.066 176.035 176.094 0.012 0.000 1.029 66 V CA -0.352 61.954 62.300 0.010 0.000 0.870 66 V CB 1.508 33.351 31.823 0.034 0.000 0.984 66 V HN 0.767 nan 8.190 nan 0.000 0.451 67 V N 5.218 125.129 119.914 -0.005 0.000 2.347 67 V HA 0.751 4.874 4.120 0.006 0.000 0.280 67 V C 0.458 176.573 176.094 0.035 0.000 1.021 67 V CA -0.322 61.974 62.300 -0.006 0.000 0.847 67 V CB 1.298 33.082 31.823 -0.066 0.000 0.990 67 V HN 0.963 nan 8.190 nan 0.000 0.444 68 A N 3.423 126.277 122.820 0.056 0.000 2.311 68 A HA 0.814 5.138 4.320 0.006 0.000 0.334 68 A C 1.115 178.745 177.584 0.076 0.000 1.139 68 A CA 0.010 52.098 52.037 0.084 0.000 0.830 68 A CB 1.146 20.201 19.000 0.093 0.000 1.234 68 A HN 1.973 nan 8.150 nan 0.000 0.483 69 G N -0.290 108.559 108.800 0.081 0.000 2.153 69 G HA2 -0.219 3.745 3.960 0.006 0.000 0.252 69 G HA3 -0.219 3.745 3.960 0.006 0.000 0.252 69 G C 0.100 175.069 174.900 0.114 0.000 0.994 69 G CA 0.768 45.909 45.100 0.069 0.000 0.698 69 G HN 1.070 nan 8.290 nan 0.000 0.521 70 E N -1.273 119.035 120.200 0.179 0.000 2.277 70 E HA 0.703 5.056 4.350 0.006 0.000 0.274 70 E C 0.626 177.510 176.600 0.474 0.000 1.022 70 E CA -0.883 55.652 56.400 0.225 0.000 0.853 70 E CB 0.524 30.254 29.700 0.050 0.000 1.086 70 E HN 0.261 nan 8.360 nan 0.000 0.397 71 F N 2.157 122.260 119.950 0.255 0.000 2.212 71 F HA 0.276 4.807 4.527 0.007 0.000 0.262 71 F C -0.250 175.752 175.800 0.337 0.000 0.906 71 F CA -0.143 58.029 58.000 0.286 0.000 1.127 71 F CB 0.527 39.590 39.000 0.105 0.000 1.178 71 F HN 0.413 nan 8.300 nan 0.000 0.779 72 D N 1.534 121.884 120.400 -0.082 0.000 2.412 72 D HA 0.194 4.837 4.640 0.006 0.000 0.224 72 D C 0.361 176.574 176.300 -0.146 0.000 1.093 72 D CA 0.030 53.894 54.000 -0.226 0.000 0.850 72 D CB 1.409 42.151 40.800 -0.095 0.000 1.046 72 D HN 0.433 nan 8.370 nan 0.000 0.507 73 Q N 1.828 121.479 119.800 -0.248 0.000 2.488 73 Q HA 0.034 4.378 4.340 0.006 0.000 0.211 73 Q C 1.502 177.385 176.000 -0.194 0.000 0.967 73 Q CA 0.525 56.135 55.803 -0.321 0.000 0.926 73 Q CB 0.492 28.896 28.738 -0.557 0.000 0.992 73 Q HN 0.507 nan 8.270 nan 0.000 0.506 74 G N 0.313 109.029 108.800 -0.140 0.000 2.939 74 G HA2 -0.035 3.929 3.960 0.006 0.000 0.210 74 G HA3 -0.035 3.929 3.960 0.006 0.000 0.210 74 G C 0.314 175.181 174.900 -0.056 0.000 1.160 74 G CA -0.179 44.868 45.100 -0.089 0.000 0.770 74 G HN 0.129 nan 8.290 nan 0.000 0.543 75 S N 0.593 116.262 115.700 -0.050 0.000 2.422 75 S HA 0.370 4.844 4.470 0.006 0.000 0.298 75 S C 1.679 176.267 174.600 -0.020 0.000 1.118 75 S CA 0.151 58.341 58.200 -0.017 0.000 1.083 75 S CB 1.079 64.288 63.200 0.015 0.000 0.971 75 S HN 0.304 nan 8.310 nan 0.000 0.478 76 S N 3.491 119.182 115.700 -0.015 0.000 2.470 76 S HA -0.070 4.403 4.470 0.006 0.000 0.225 76 S C 1.766 176.363 174.600 -0.004 0.000 1.006 76 S CA 0.797 58.989 58.200 -0.014 0.000 0.934 76 S CB -0.441 62.752 63.200 -0.011 0.000 0.778 76 S HN 0.824 nan 8.310 nan 0.000 0.517 77 S N 0.732 116.434 115.700 0.003 0.000 2.496 77 S HA 0.115 4.589 4.470 0.006 0.000 0.224 77 S C 0.553 175.162 174.600 0.015 0.000 0.996 77 S CA -0.267 57.938 58.200 0.009 0.000 0.927 77 S CB -0.585 62.622 63.200 0.011 0.000 0.774 77 S HN 0.652 nan 8.310 nan 0.000 0.524 78 E N 2.255 122.468 120.200 0.021 0.000 2.465 78 E HA 0.013 4.367 4.350 0.006 0.000 0.260 78 E C -0.584 176.032 176.600 0.027 0.000 0.980 78 E CA -0.113 56.308 56.400 0.035 0.000 0.927 78 E CB 0.417 30.149 29.700 0.054 0.000 0.934 78 E HN 0.089 nan 8.360 nan 0.000 0.459 79 K N 5.384 125.801 120.400 0.029 0.000 2.349 79 K HA 0.260 4.584 4.320 0.006 0.000 0.288 79 K C 0.186 176.804 176.600 0.030 0.000 1.058 79 K CA 0.044 56.345 56.287 0.024 0.000 0.953 79 K CB 0.007 32.520 32.500 0.021 0.000 0.997 79 K HN 0.472 nan 8.250 nan 0.000 0.477 80 I N -1.487 119.097 120.570 0.024 0.000 3.279 80 I HA 0.355 4.529 4.170 0.006 0.000 0.315 80 I C -1.010 175.123 176.117 0.026 0.000 1.187 80 I CA -1.229 60.087 61.300 0.027 0.000 0.953 80 I CB 2.156 40.164 38.000 0.013 0.000 1.279 80 I HN 0.255 nan 8.210 nan 0.000 0.465 81 Q N 2.056 121.876 119.800 0.033 0.000 2.357 81 Q HA 0.440 4.784 4.340 0.006 0.000 0.266 81 Q C -1.416 174.602 176.000 0.029 0.000 1.021 81 Q CA -0.740 55.086 55.803 0.037 0.000 0.784 81 Q CB 2.426 31.198 28.738 0.057 0.000 1.243 81 Q HN 0.423 nan 8.270 nan 0.000 0.465 82 K N 3.614 124.026 120.400 0.020 0.000 2.267 82 K HA 0.381 4.704 4.320 0.006 0.000 0.282 82 K C -0.761 175.851 176.600 0.019 0.000 1.078 82 K CA -0.169 56.126 56.287 0.014 0.000 0.903 82 K CB 0.705 33.209 32.500 0.008 0.000 1.111 82 K HN 0.386 nan 8.250 nan 0.000 0.475 83 L N 3.567 124.804 121.223 0.023 0.000 2.296 83 L HA 0.387 4.731 4.340 0.006 0.000 0.286 83 L C 0.129 177.007 176.870 0.013 0.000 1.023 83 L CA -0.902 53.950 54.840 0.021 0.000 0.812 83 L CB 1.294 43.372 42.059 0.031 0.000 1.223 83 L HN 0.364 nan 8.230 nan 0.000 0.421 84 K N 3.088 123.491 120.400 0.005 0.000 2.202 84 K HA 0.483 4.807 4.320 0.006 0.000 0.264 84 K C -0.606 175.987 176.600 -0.011 0.000 1.010 84 K CA -0.338 55.949 56.287 0.001 0.000 0.940 84 K CB 1.276 33.774 32.500 -0.003 0.000 0.983 84 K HN 0.442 nan 8.250 nan 0.000 0.475 85 I N 2.198 122.763 120.570 -0.008 0.000 2.321 85 I HA 0.083 4.257 4.170 0.006 0.000 0.291 85 I C 0.902 176.998 176.117 -0.036 0.000 0.998 85 I CA -0.132 61.155 61.300 -0.022 0.000 1.227 85 I CB 1.707 39.711 38.000 0.006 0.000 1.368 85 I HN 0.786 nan 8.210 nan 0.000 0.466 86 A N 6.170 128.952 122.820 -0.064 0.000 1.903 86 A HA 0.086 4.410 4.320 0.006 0.000 0.213 86 A C 0.929 178.478 177.584 -0.059 0.000 1.185 86 A CA 1.095 53.096 52.037 -0.060 0.000 0.628 86 A CB 0.208 19.162 19.000 -0.076 0.000 0.830 86 A HN 0.699 nan 8.150 nan 0.000 0.446 87 K N -1.117 119.246 120.400 -0.062 0.000 2.542 87 K HA 0.524 4.848 4.320 0.006 0.000 0.259 87 K C -2.069 174.487 176.600 -0.074 0.000 0.932 87 K CA -0.546 55.675 56.287 -0.110 0.000 0.820 87 K CB 2.252 34.658 32.500 -0.157 0.000 1.345 87 K HN -0.036 nan 8.250 nan 0.000 0.432 88 V N 4.079 123.897 119.914 -0.161 0.000 2.398 88 V HA 0.477 4.601 4.120 0.006 0.000 0.286 88 V C -0.993 175.028 176.094 -0.122 0.000 1.026 88 V CA -0.539 61.753 62.300 -0.013 0.000 0.868 88 V CB 0.913 32.741 31.823 0.008 0.000 0.982 88 V HN 0.563 nan 8.190 nan 0.000 0.443 89 F N 3.875 123.951 119.950 0.211 0.000 2.363 89 F HA 0.433 4.963 4.527 0.006 0.000 0.366 89 F C 0.450 176.485 175.800 0.391 0.000 1.083 89 F CA -0.636 57.540 58.000 0.294 0.000 1.176 89 F CB 1.009 40.204 39.000 0.325 0.000 1.432 89 F HN 0.339 nan 8.300 nan 0.000 0.482 90 K N 2.421 123.040 120.400 0.364 0.000 2.276 90 K HA 0.105 4.429 4.320 0.006 0.000 0.283 90 K C 0.332 177.084 176.600 0.252 0.000 1.044 90 K CA -0.529 55.902 56.287 0.240 0.000 0.944 90 K CB 0.548 33.110 32.500 0.104 0.000 1.012 90 K HN 0.404 nan 8.250 nan 0.000 0.472 91 N N 2.366 121.031 118.700 -0.059 0.000 2.440 91 N HA -0.092 4.652 4.740 0.006 0.000 0.265 91 N C 0.745 176.203 175.510 -0.088 0.000 1.239 91 N CA 0.423 53.211 53.050 -0.436 0.000 0.909 91 N CB 0.912 38.753 38.487 -1.077 0.000 1.066 91 N HN 0.720 nan 8.380 nan 0.000 0.474 92 S N 3.548 119.270 115.700 0.037 0.000 2.469 92 S HA -0.088 4.386 4.470 0.006 0.000 0.238 92 S C 1.112 175.726 174.600 0.023 0.000 0.998 92 S CA 0.913 59.156 58.200 0.072 0.000 0.957 92 S CB -0.010 63.258 63.200 0.114 0.000 0.764 92 S HN 0.632 nan 8.310 nan 0.000 0.514 93 K N 0.088 120.460 120.400 -0.046 0.000 2.444 93 K HA 0.133 4.457 4.320 0.006 0.000 0.193 93 K C -0.076 176.510 176.600 -0.024 0.000 1.024 93 K CA -0.316 55.943 56.287 -0.046 0.000 1.077 93 K CB -0.068 32.385 32.500 -0.078 0.000 0.833 93 K HN 0.525 nan 8.250 nan 0.000 0.517 94 Y N 2.828 123.057 120.300 -0.119 0.000 2.721 94 Y HA -0.073 4.480 4.550 0.006 0.000 0.329 94 Y C 0.002 175.871 175.900 -0.053 0.000 1.211 94 Y CA -0.498 57.551 58.100 -0.085 0.000 1.512 94 Y CB 0.072 38.491 38.460 -0.067 0.000 1.249 94 Y HN -0.042 nan 8.280 nan 0.000 0.549 95 N N 4.048 122.362 118.700 -0.643 0.000 2.485 95 N HA 0.022 4.766 4.740 0.006 0.000 0.243 95 N C 0.452 175.405 175.510 -0.928 0.000 0.987 95 N CA 0.418 53.120 53.050 -0.579 0.000 0.940 95 N CB 1.006 39.306 38.487 -0.311 0.000 1.122 95 N HN 0.791 nan 8.380 nan 0.000 0.509 96 S N 3.173 118.411 115.700 -0.769 0.000 2.547 96 S HA -0.030 4.443 4.470 0.006 0.000 0.235 96 S C 1.602 176.018 174.600 -0.306 0.000 0.980 96 S CA 0.433 58.316 58.200 -0.528 0.000 0.941 96 S CB -0.069 63.020 63.200 -0.186 0.000 0.763 96 S HN 0.586 nan 8.310 nan 0.000 0.532 97 L N 1.069 122.116 121.223 -0.294 0.000 2.269 97 L HA 0.108 4.451 4.340 0.006 0.000 0.200 97 L C 2.898 179.614 176.870 -0.255 0.000 1.069 97 L CA 1.224 55.932 54.840 -0.220 0.000 0.804 97 L CB -0.904 41.055 42.059 -0.166 0.000 0.987 97 L HN 0.492 nan 8.230 nan 0.000 0.468 98 T N -3.275 111.122 114.554 -0.262 0.000 3.065 98 T HA 0.111 4.465 4.350 0.006 0.000 0.252 98 T C 1.181 175.702 174.700 -0.298 0.000 1.099 98 T CA -0.051 61.895 62.100 -0.256 0.000 1.063 98 T CB 0.306 69.075 68.868 -0.166 0.000 0.948 98 T HN 0.129 nan 8.240 nan 0.000 0.506 99 I N -0.169 120.220 120.570 -0.303 0.000 5.582 99 I HA -0.185 3.988 4.170 0.006 0.000 0.139 99 I C 0.094 176.239 176.117 0.047 0.000 1.814 99 I CA -0.013 61.197 61.300 -0.150 0.000 2.037 99 I CB -3.303 34.533 38.000 -0.273 0.000 3.362 99 I HN 0.426 nan 8.210 nan 0.000 0.169 100 N N 3.075 121.751 118.700 -0.039 0.000 2.503 100 N HA 0.221 4.965 4.740 0.006 0.000 0.267 100 N C 0.754 176.319 175.510 0.093 0.000 1.214 100 N CA 0.610 53.689 53.050 0.048 0.000 0.959 100 N CB 0.348 38.835 38.487 -0.000 0.000 1.142 100 N HN 0.232 nan 8.380 nan 0.000 0.455 101 N N 0.669 119.430 118.700 0.102 0.000 2.756 101 N HA -0.216 4.528 4.740 0.006 0.000 0.248 101 N C -1.306 174.298 175.510 0.157 0.000 1.062 101 N CA 0.462 53.550 53.050 0.064 0.000 0.696 101 N CB -1.224 37.256 38.487 -0.013 0.000 0.946 101 N HN 0.632 nan 8.380 nan 0.000 0.548 102 D N 1.229 121.755 120.400 0.209 0.000 2.608 102 D HA 0.381 5.025 4.640 0.006 0.000 0.224 102 D C 0.029 176.325 176.300 -0.006 0.000 1.123 102 D CA 0.086 54.182 54.000 0.160 0.000 1.030 102 D CB -0.257 40.717 40.800 0.290 0.000 1.093 102 D HN 0.510 nan 8.370 nan 0.000 0.497 103 I N 0.663 121.167 120.570 -0.111 0.000 2.722 103 I HA 0.381 4.555 4.170 0.006 0.000 0.295 103 I C -1.227 174.841 176.117 -0.082 0.000 1.161 103 I CA -0.310 60.944 61.300 -0.076 0.000 1.032 103 I CB 2.199 40.175 38.000 -0.039 0.000 1.244 103 I HN -0.080 nan 8.210 nan 0.000 0.421 104 T N 6.990 121.607 114.554 0.104 0.000 2.933 104 T HA 0.550 4.903 4.350 0.006 0.000 0.305 104 T C -0.997 173.934 174.700 0.386 0.000 1.092 104 T CA -0.454 61.801 62.100 0.257 0.000 1.008 104 T CB 1.808 70.748 68.868 0.119 0.000 1.102 104 T HN 0.340 nan 8.240 nan 0.000 0.469 105 L N 3.045 124.592 121.223 0.541 0.000 2.334 105 L HA 0.653 4.996 4.340 0.006 0.000 0.276 105 L C -0.908 176.265 176.870 0.505 0.000 1.014 105 L CA -0.954 54.183 54.840 0.495 0.000 0.815 105 L CB 1.385 43.697 42.059 0.423 0.000 1.268 105 L HN 0.383 nan 8.230 nan 0.000 0.428 106 L N 3.614 125.065 121.223 0.381 0.000 2.325 106 L HA 0.482 4.825 4.340 0.006 0.000 0.281 106 L C -0.302 176.528 176.870 -0.068 0.000 1.004 106 L CA -0.543 54.415 54.840 0.196 0.000 0.823 106 L CB 1.681 43.815 42.059 0.125 0.000 1.236 106 L HN 0.495 nan 8.230 nan 0.000 0.415 107 K N 4.513 124.712 120.400 -0.335 0.000 2.234 107 K HA 0.511 4.835 4.320 0.006 0.000 0.277 107 K C -0.702 175.641 176.600 -0.429 0.000 1.038 107 K CA -0.562 55.160 56.287 -0.942 0.000 0.888 107 K CB 0.848 32.718 32.500 -1.049 0.000 1.091 107 K HN 0.544 nan 8.250 nan 0.000 0.467 108 L N 3.508 124.502 121.223 -0.382 0.000 2.397 108 L HA 0.062 4.405 4.340 0.006 0.000 0.271 108 L C 1.700 178.480 176.870 -0.150 0.000 1.148 108 L CA -0.312 54.420 54.840 -0.179 0.000 0.825 108 L CB 1.396 43.392 42.059 -0.104 0.000 1.117 108 L HN 0.845 nan 8.230 nan 0.000 0.456 109 S N 0.056 115.704 115.700 -0.086 0.000 2.406 109 S HA -0.028 4.446 4.470 0.006 0.000 0.228 109 S C 0.784 175.356 174.600 -0.046 0.000 1.020 109 S CA 0.325 58.488 58.200 -0.061 0.000 0.965 109 S CB -0.036 63.141 63.200 -0.038 0.000 0.798 109 S HN 0.696 nan 8.310 nan 0.000 0.488 110 T N 2.260 116.792 114.554 -0.036 0.000 2.812 110 T HA 0.747 5.101 4.350 0.006 0.000 0.282 110 T C -0.217 174.473 174.700 -0.016 0.000 0.990 110 T CA -0.365 61.723 62.100 -0.020 0.000 0.960 110 T CB 1.592 70.457 68.868 -0.005 0.000 0.948 110 T HN 0.514 nan 8.240 nan 0.000 0.438 111 A N 2.533 125.343 122.820 -0.016 0.000 2.483 111 A HA 0.662 4.986 4.320 0.006 0.000 0.238 111 A C 0.790 178.393 177.584 0.032 0.000 1.070 111 A CA -0.439 51.593 52.037 -0.008 0.000 0.770 111 A CB -0.128 18.853 19.000 -0.031 0.000 1.008 111 A HN 1.080 nan 8.150 nan 0.000 0.497 112 A N 1.507 124.375 122.820 0.081 0.000 2.351 112 A HA 0.511 4.834 4.320 0.006 0.000 0.257 112 A C 0.701 178.391 177.584 0.178 0.000 1.087 112 A CA 0.379 52.517 52.037 0.169 0.000 0.798 112 A CB 0.189 19.377 19.000 0.314 0.000 1.033 112 A HN 1.430 nan 8.150 nan 0.000 0.488 113 S N 1.829 117.650 115.700 0.201 0.000 2.434 113 S HA 0.519 4.992 4.470 0.006 0.000 0.318 113 S C -0.560 174.240 174.600 0.333 0.000 1.062 113 S CA -0.602 57.710 58.200 0.187 0.000 1.116 113 S CB -0.776 62.491 63.200 0.111 0.000 0.977 113 S HN 0.363 nan 8.310 nan 0.000 0.480 114 F N 3.828 123.808 119.950 0.049 0.000 2.563 114 F HA 0.371 4.901 4.527 0.006 0.000 0.363 114 F C 1.406 177.231 175.800 0.042 0.000 1.123 114 F CA -0.225 57.809 58.000 0.056 0.000 1.307 114 F CB 0.512 39.551 39.000 0.065 0.000 1.115 114 F HN 0.731 nan 8.300 nan 0.000 0.592 115 S N 1.651 117.434 115.700 0.137 0.000 2.755 115 S HA 0.192 4.666 4.470 0.006 0.000 0.286 115 S C 0.554 175.156 174.600 0.004 0.000 1.207 115 S CA -0.589 57.654 58.200 0.071 0.000 0.892 115 S CB 1.299 64.533 63.200 0.056 0.000 1.240 115 S HN 0.565 nan 8.310 nan 0.000 0.525 116 Q N 0.486 120.281 119.800 -0.008 0.000 2.152 116 Q HA -0.145 4.199 4.340 0.006 0.000 0.206 116 Q C 1.470 177.420 176.000 -0.083 0.000 0.985 116 Q CA 2.431 58.209 55.803 -0.042 0.000 0.863 116 Q CB -0.539 28.174 28.738 -0.042 0.000 0.904 116 Q HN 0.924 nan 8.270 nan 0.000 0.422 117 T N -3.490 111.020 114.554 -0.073 0.000 3.054 117 T HA 0.337 4.691 4.350 0.006 0.000 0.255 117 T C -0.028 174.611 174.700 -0.102 0.000 1.035 117 T CA -0.352 61.690 62.100 -0.097 0.000 0.941 117 T CB 0.865 69.697 68.868 -0.060 0.000 1.026 117 T HN -0.020 nan 8.240 nan 0.000 0.533 118 V N 2.590 122.437 119.914 -0.110 0.000 2.488 118 V HA 0.733 4.857 4.120 0.006 0.000 0.293 118 V C -0.519 175.305 176.094 -0.451 0.000 1.027 118 V CA -0.489 61.713 62.300 -0.163 0.000 0.862 118 V CB 1.242 33.047 31.823 -0.030 0.000 1.008 118 V HN 0.699 nan 8.190 nan 0.000 0.428 119 S N 3.292 118.641 115.700 -0.586 0.000 2.672 119 S HA 0.938 5.411 4.470 0.006 0.000 0.271 119 S C -0.527 173.794 174.600 -0.465 0.000 1.171 119 S CA -0.357 57.218 58.200 -1.041 0.000 0.817 119 S CB 1.868 64.828 63.200 -0.400 0.000 1.150 119 S HN 1.291 nan 8.310 nan 0.000 0.478 120 A N 0.235 122.927 122.820 -0.213 0.000 2.295 120 A HA 0.821 5.145 4.320 0.006 0.000 0.318 120 A C -0.078 177.611 177.584 0.175 0.000 1.134 120 A CA -0.757 51.388 52.037 0.180 0.000 0.827 120 A CB 1.015 20.217 19.000 0.338 0.000 1.136 120 A HN 1.374 nan 8.150 nan 0.000 0.493 121 V N 0.969 120.835 119.914 -0.079 0.000 2.863 121 V HA 0.409 4.533 4.120 0.006 0.000 0.307 121 V C 0.162 176.090 176.094 -0.277 0.000 1.061 121 V CA -0.621 61.286 62.300 -0.654 0.000 1.024 121 V CB 1.125 32.227 31.823 -1.202 0.000 1.049 121 V HN 1.041 nan 8.190 nan 0.000 0.471 122 c N 5.448 123.896 118.600 -0.253 0.000 2.459 122 c HA 0.523 5.096 4.570 0.006 0.000 0.374 122 c C 0.173 174.207 174.090 -0.093 0.000 1.241 122 c CA -0.769 55.499 56.329 -0.101 0.000 2.352 122 c CB 0.131 42.612 42.510 -0.048 0.000 2.490 122 c HN 0.741 nan 8.230 nan 0.000 0.583 123 L N 3.978 125.178 121.223 -0.039 0.000 2.331 123 L HA 0.508 4.851 4.340 0.006 0.000 0.275 123 L C -1.777 175.108 176.870 0.025 0.000 1.022 123 L CA -1.225 53.605 54.840 -0.017 0.000 0.812 123 L CB 1.534 43.583 42.059 -0.016 0.000 1.257 123 L HN 0.512 nan 8.230 nan 0.000 0.435 124 P HA 0.267 nan 4.420 nan 0.000 0.281 124 P C -0.948 176.402 177.300 0.083 0.000 1.281 124 P CA -0.528 62.654 63.100 0.135 0.000 0.811 124 P CB 1.352 33.226 31.700 0.290 0.000 1.154 125 S N -0.485 115.255 115.700 0.066 0.000 2.616 125 S HA 0.371 4.844 4.470 0.006 0.000 0.277 125 S C 1.508 176.134 174.600 0.044 0.000 1.234 125 S CA -0.124 58.095 58.200 0.031 0.000 1.028 125 S CB 1.058 64.259 63.200 0.001 0.000 0.988 125 S HN 0.571 nan 8.310 nan 0.000 0.522 126 A N 1.822 124.664 122.820 0.036 0.000 2.076 126 A HA -0.094 4.230 4.320 0.006 0.000 0.220 126 A C 2.029 179.630 177.584 0.029 0.000 1.160 126 A CA 1.798 53.862 52.037 0.045 0.000 0.653 126 A CB -0.710 18.314 19.000 0.039 0.000 0.801 126 A HN 0.824 nan 8.150 nan 0.000 0.455 127 S N -0.610 115.092 115.700 0.004 0.000 2.548 127 S HA 0.068 4.542 4.470 0.006 0.000 0.215 127 S C 0.018 174.581 174.600 -0.061 0.000 0.976 127 S CA -0.295 57.893 58.200 -0.020 0.000 0.908 127 S CB -0.211 62.974 63.200 -0.025 0.000 0.781 127 S HN 0.400 nan 8.310 nan 0.000 0.519 128 D N 2.915 123.268 120.400 -0.079 0.000 2.472 128 D HA 0.255 4.899 4.640 0.006 0.000 0.237 128 D C -0.624 175.491 176.300 -0.308 0.000 1.141 128 D CA 0.735 54.595 54.000 -0.233 0.000 0.875 128 D CB 0.669 41.311 40.800 -0.264 0.000 1.192 128 D HN 0.405 nan 8.370 nan 0.000 0.450 129 D N 0.746 120.869 120.400 -0.462 0.000 2.408 129 D HA 0.273 4.916 4.640 0.006 0.000 0.243 129 D C -1.357 174.624 176.300 -0.532 0.000 1.075 129 D CA -0.570 53.227 54.000 -0.338 0.000 0.832 129 D CB 0.367 41.061 40.800 -0.176 0.000 1.162 129 D HN 0.039 nan 8.370 nan 0.000 0.515 130 F N 2.891 122.832 119.950 -0.015 0.000 2.325 130 F HA 0.529 5.060 4.527 0.007 0.000 0.369 130 F C 0.855 176.645 175.800 -0.017 0.000 1.095 130 F CA -0.983 57.005 58.000 -0.021 0.000 1.082 130 F CB 1.146 40.131 39.000 -0.025 0.000 1.289 130 F HN 0.391 nan 8.300 nan 0.000 0.462 131 A N 2.276 125.145 122.820 0.082 0.000 2.520 131 A HA 0.502 4.826 4.320 0.006 0.000 0.235 131 A C 0.564 178.186 177.584 0.062 0.000 1.065 131 A CA -0.044 52.024 52.037 0.051 0.000 0.764 131 A CB -0.075 18.936 19.000 0.020 0.000 1.002 131 A HN 0.887 nan 8.150 nan 0.000 0.502 132 A N 0.979 123.826 122.820 0.044 0.000 2.498 132 A HA 0.513 4.836 4.320 0.006 0.000 0.239 132 A C 1.631 179.232 177.584 0.029 0.000 1.068 132 A CA 0.777 52.836 52.037 0.036 0.000 0.766 132 A CB -0.475 18.544 19.000 0.031 0.000 1.003 132 A HN 2.761 nan 8.150 nan 0.000 0.497 133 G N 1.311 110.125 108.800 0.023 0.000 2.234 133 G HA2 -0.209 3.754 3.960 0.006 0.000 0.235 133 G HA3 -0.209 3.754 3.960 0.006 0.000 0.235 133 G C 0.536 175.449 174.900 0.022 0.000 0.997 133 G CA 0.338 45.450 45.100 0.019 0.000 0.623 133 G HN 1.235 nan 8.290 nan 0.000 0.514 134 T N 2.717 117.290 114.554 0.032 0.000 2.902 134 T HA 0.427 4.781 4.350 0.006 0.000 0.301 134 T C 0.586 175.303 174.700 0.028 0.000 1.012 134 T CA 1.082 63.206 62.100 0.039 0.000 1.151 134 T CB 0.988 69.900 68.868 0.074 0.000 0.946 134 T HN 0.275 nan 8.240 nan 0.000 0.542 135 T N 4.300 118.875 114.554 0.034 0.000 2.729 135 T HA 0.357 4.711 4.350 0.006 0.000 0.296 135 T C 0.336 175.076 174.700 0.065 0.000 0.928 135 T CA -0.557 61.568 62.100 0.041 0.000 1.045 135 T CB -0.209 68.691 68.868 0.053 0.000 0.902 135 T HN 0.687 nan 8.240 nan 0.000 0.500 136 c N 2.882 121.508 118.600 0.043 0.000 2.967 136 c HA 0.882 5.456 4.570 0.006 0.000 0.372 136 c C 0.030 174.157 174.090 0.062 0.000 1.455 136 c CA -0.674 55.700 56.329 0.076 0.000 1.638 136 c CB 1.557 44.042 42.510 -0.042 0.000 2.096 136 c HN 0.597 nan 8.230 nan 0.000 0.466 137 V N 0.254 120.183 119.914 0.025 0.000 2.841 137 V HA 0.729 4.853 4.120 0.006 0.000 0.310 137 V C -0.309 175.609 176.094 -0.294 0.000 1.090 137 V CA -0.156 62.057 62.300 -0.145 0.000 0.930 137 V CB 1.979 33.650 31.823 -0.253 0.000 1.014 137 V HN 0.968 nan 8.190 nan 0.000 0.425 138 T N 2.235 116.605 114.554 -0.306 0.000 2.893 138 T HA 0.822 5.175 4.350 0.006 0.000 0.291 138 T C -0.531 173.933 174.700 -0.393 0.000 1.028 138 T CA 0.027 61.959 62.100 -0.280 0.000 0.995 138 T CB 1.672 70.488 68.868 -0.087 0.000 1.051 138 T HN 1.093 nan 8.240 nan 0.000 0.470 139 T N 0.165 114.472 114.554 -0.412 0.000 2.883 139 T HA 0.933 5.287 4.350 0.006 0.000 0.296 139 T C -0.009 174.483 174.700 -0.348 0.000 1.117 139 T CA -0.293 61.512 62.100 -0.493 0.000 1.006 139 T CB 1.604 69.977 68.868 -0.825 0.000 1.191 139 T HN 1.280 nan 8.240 nan 0.000 0.508 140 G N -0.687 107.852 108.800 -0.435 0.000 2.336 140 G HA2 0.338 4.302 3.960 0.006 0.000 0.300 140 G HA3 0.338 4.302 3.960 0.006 0.000 0.300 140 G C -1.363 173.275 174.900 -0.436 0.000 1.375 140 G CA -0.819 44.065 45.100 -0.359 0.000 0.885 140 G HN 0.692 nan 8.290 nan 0.000 0.599 141 W N 1.253 122.451 121.300 -0.171 0.000 3.067 141 W HA 0.404 5.067 4.660 0.005 0.000 0.417 141 W C 1.121 177.516 176.519 -0.207 0.000 1.029 141 W CA -0.152 57.022 57.345 -0.285 0.000 1.992 141 W CB 0.851 29.958 29.460 -0.589 0.000 1.122 141 W HN 0.835 nan 8.180 nan 0.000 0.681 142 G N 0.924 109.769 108.800 0.075 0.000 2.667 142 G HA2 0.299 4.263 3.960 0.006 0.000 0.250 142 G HA3 0.299 4.263 3.960 0.006 0.000 0.250 142 G C 0.109 175.044 174.900 0.059 0.000 1.212 142 G CA -0.646 44.510 45.100 0.092 0.000 0.874 142 G HN -0.013 nan 8.290 nan 0.000 0.561 143 L N -0.156 121.114 121.223 0.079 0.000 2.543 143 L HA 0.030 4.374 4.340 0.006 0.000 0.285 143 L C 1.983 178.886 176.870 0.055 0.000 1.236 143 L CA 0.592 55.474 54.840 0.069 0.000 0.871 143 L CB 0.445 42.565 42.059 0.101 0.000 1.121 143 L HN 0.796 nan 8.230 nan 0.000 0.501 144 T N -0.871 113.707 114.554 0.040 0.000 3.040 144 T HA 0.139 4.493 4.350 0.006 0.000 0.250 144 T C 0.524 175.252 174.700 0.047 0.000 1.058 144 T CA -0.276 61.843 62.100 0.030 0.000 0.988 144 T CB 0.184 69.059 68.868 0.012 0.000 0.993 144 T HN 0.611 nan 8.240 nan 0.000 0.519 145 R N -0.142 120.396 120.500 0.063 0.000 2.522 145 R HA 0.460 4.804 4.340 0.006 0.000 0.283 145 R C -1.735 174.631 176.300 0.110 0.000 1.074 145 R CA -0.855 55.292 56.100 0.079 0.000 0.925 145 R CB 1.409 31.736 30.300 0.044 0.000 1.205 145 R HN 0.236 nan 8.270 nan 0.000 0.436 150 N N 1.429 120.138 118.700 0.016 0.000 2.430 150 N HA 0.527 5.271 4.740 0.006 0.000 0.298 150 N C 0.150 175.668 175.510 0.013 0.000 1.130 150 N CA 0.831 53.895 53.050 0.024 0.000 0.894 150 N CB 1.673 40.170 38.487 0.016 0.000 1.209 150 N HN 0.371 nan 8.380 nan 0.000 0.503 151 T N -0.211 114.344 114.554 0.000 0.000 2.860 151 T HA 0.359 4.712 4.350 0.006 0.000 0.299 151 T C -2.276 172.413 174.700 -0.019 0.000 1.045 151 T CA -1.100 60.993 62.100 -0.011 0.000 1.071 151 T CB 0.651 69.484 68.868 -0.058 0.000 0.985 151 T HN 0.390 nan 8.240 nan 0.000 0.537 152 P HA 0.266 nan 4.420 nan 0.000 0.275 152 P C -0.050 177.256 177.300 0.010 0.000 1.227 152 P CA -0.332 62.767 63.100 -0.001 0.000 0.781 152 P CB 0.840 32.537 31.700 -0.005 0.000 0.906 153 D N 1.606 121.983 120.400 -0.038 0.000 2.144 153 D HA -0.048 4.596 4.640 0.006 0.000 0.200 153 D C 0.721 176.984 176.300 -0.061 0.000 0.978 153 D CA 1.337 55.288 54.000 -0.082 0.000 0.833 153 D CB 0.135 40.874 40.800 -0.102 0.000 0.961 153 D HN 0.412 nan 8.370 nan 0.000 0.470 154 R N 0.448 120.862 120.500 -0.143 0.000 2.368 154 R HA 0.333 4.677 4.340 0.006 0.000 0.302 154 R C -0.299 175.815 176.300 -0.310 0.000 1.002 154 R CA -1.031 54.814 56.100 -0.425 0.000 0.929 154 R CB 1.384 31.321 30.300 -0.604 0.000 1.073 154 R HN -0.039 nan 8.270 nan 0.000 0.464 155 L N 2.798 123.736 121.223 -0.475 0.000 2.578 155 L HA -0.090 4.254 4.340 0.006 0.000 0.279 155 L C -0.342 176.317 176.870 -0.351 0.000 1.227 155 L CA 1.143 55.524 54.840 -0.764 0.000 0.900 155 L CB 0.284 41.988 42.059 -0.591 0.000 1.144 155 L HN 0.473 nan 8.230 nan 0.000 0.496 156 Q N 4.531 124.089 119.800 -0.404 0.000 2.241 156 Q HA 0.513 4.857 4.340 0.006 0.000 0.262 156 Q C -1.005 174.856 176.000 -0.231 0.000 1.014 156 Q CA -0.577 55.100 55.803 -0.210 0.000 0.885 156 Q CB 1.975 30.613 28.738 -0.165 0.000 1.311 156 Q HN 0.775 nan 8.270 nan 0.000 0.461 157 Q N -1.106 118.610 119.800 -0.141 0.000 2.462 157 Q HA 0.896 5.240 4.340 0.006 0.000 0.285 157 Q C -1.770 174.166 176.000 -0.107 0.000 1.035 157 Q CA -1.219 54.473 55.803 -0.184 0.000 0.799 157 Q CB 2.240 30.941 28.738 -0.062 0.000 1.452 157 Q HN 0.549 nan 8.270 nan 0.000 0.404 158 A N 0.915 123.659 122.820 -0.127 0.000 2.540 158 A HA 0.633 4.957 4.320 0.006 0.000 0.297 158 A C -0.944 176.606 177.584 -0.056 0.000 1.056 158 A CA -0.437 51.562 52.037 -0.062 0.000 0.700 158 A CB 1.816 20.786 19.000 -0.051 0.000 1.280 158 A HN 0.890 nan 8.150 nan 0.000 0.398 159 S N 1.715 117.411 115.700 -0.006 0.000 2.554 159 S HA 0.857 5.331 4.470 0.006 0.000 0.278 159 S C -0.160 174.441 174.600 0.001 0.000 1.242 159 S CA -0.317 57.892 58.200 0.016 0.000 1.051 159 S CB 0.780 64.016 63.200 0.060 0.000 0.986 159 S HN 1.930 nan 8.310 nan 0.000 0.502 160 L N -1.640 119.579 121.223 -0.008 0.000 2.582 160 L HA 0.777 5.120 4.340 0.006 0.000 0.257 160 L C -3.282 173.574 176.870 -0.022 0.000 0.974 160 L CA -2.337 52.493 54.840 -0.016 0.000 0.851 160 L CB 2.196 44.239 42.059 -0.027 0.000 1.424 160 L HN 0.395 nan 8.230 nan 0.000 0.412 161 P HA 0.360 nan 4.420 nan 0.000 0.288 161 P C -0.856 176.427 177.300 -0.029 0.000 1.267 161 P CA -0.424 62.668 63.100 -0.013 0.000 0.815 161 P CB 1.779 33.479 31.700 -0.001 0.000 0.989 162 L N 2.786 123.992 121.223 -0.028 0.000 2.417 162 L HA 0.304 4.648 4.340 0.006 0.000 0.268 162 L C 0.675 177.545 176.870 -0.001 0.000 1.158 162 L CA -0.483 54.337 54.840 -0.034 0.000 0.819 162 L CB 0.011 42.061 42.059 -0.015 0.000 1.112 162 L HN 0.246 nan 8.230 nan 0.000 0.458 163 L N 1.540 122.769 121.223 0.009 0.000 2.334 163 L HA 0.415 4.758 4.340 0.006 0.000 0.273 163 L C 0.375 177.268 176.870 0.040 0.000 1.013 163 L CA -0.610 54.247 54.840 0.028 0.000 0.816 163 L CB 1.998 44.081 42.059 0.040 0.000 1.278 163 L HN 0.685 nan 8.230 nan 0.000 0.431 164 S N 0.182 115.907 115.700 0.042 0.000 2.585 164 S HA 0.151 4.625 4.470 0.006 0.000 0.273 164 S C 0.746 175.382 174.600 0.060 0.000 1.339 164 S CA -0.711 57.517 58.200 0.046 0.000 1.028 164 S CB 0.850 64.074 63.200 0.040 0.000 0.906 164 S HN 0.614 nan 8.310 nan 0.000 0.528 165 N N 1.707 120.445 118.700 0.062 0.000 2.166 165 N HA -0.097 4.646 4.740 0.006 0.000 0.186 165 N C 1.648 177.207 175.510 0.082 0.000 1.019 165 N CA 1.684 54.780 53.050 0.077 0.000 0.856 165 N CB -1.043 37.486 38.487 0.071 0.000 0.993 165 N HN 0.748 nan 8.380 nan 0.000 0.426 166 T N 1.891 116.484 114.554 0.064 0.000 2.708 166 T HA -0.061 4.292 4.350 0.006 0.000 0.266 166 T C 1.615 176.354 174.700 0.066 0.000 1.037 166 T CA 0.964 63.100 62.100 0.060 0.000 1.146 166 T CB -0.148 68.747 68.868 0.044 0.000 0.865 166 T HN 0.279 nan 8.240 nan 0.000 0.435 167 N N 0.473 119.210 118.700 0.061 0.000 2.244 167 N HA -0.056 4.688 4.740 0.006 0.000 0.183 167 N C 2.134 177.696 175.510 0.087 0.000 1.016 167 N CA 0.633 53.719 53.050 0.060 0.000 0.866 167 N CB -0.704 37.809 38.487 0.044 0.000 0.980 167 N HN 0.365 nan 8.380 nan 0.000 0.430 168 c N 1.730 120.398 118.600 0.113 0.000 2.446 168 c HA 0.002 4.576 4.570 0.006 0.000 0.277 168 c C 2.318 176.551 174.090 0.238 0.000 1.275 168 c CA 0.724 57.163 56.329 0.183 0.000 1.727 168 c CB -0.690 41.933 42.510 0.190 0.000 2.010 168 c HN 0.385 nan 8.230 nan 0.000 0.486 169 K N 0.300 120.811 120.400 0.185 0.000 2.362 169 K HA -0.088 4.236 4.320 0.006 0.000 0.200 169 K C 1.942 178.618 176.600 0.127 0.000 1.046 169 K CA 0.938 57.333 56.287 0.180 0.000 0.952 169 K CB -0.104 32.475 32.500 0.132 0.000 0.753 169 K HN 0.557 nan 8.250 nan 0.000 0.466 170 K N -0.462 120.000 120.400 0.104 0.000 2.360 170 K HA -0.187 4.137 4.320 0.006 0.000 0.201 170 K C 1.448 178.085 176.600 0.061 0.000 1.046 170 K CA 1.258 57.585 56.287 0.067 0.000 0.945 170 K CB 0.015 32.550 32.500 0.058 0.000 0.750 170 K HN 0.257 nan 8.250 nan 0.000 0.464 171 Y N -1.575 118.678 120.300 -0.078 0.000 2.569 171 Y HA 0.004 4.557 4.550 0.005 0.000 0.278 171 Y C 1.144 176.912 175.900 -0.219 0.000 1.130 171 Y CA 0.252 58.207 58.100 -0.242 0.000 1.280 171 Y CB 0.131 38.318 38.460 -0.455 0.000 1.379 171 Y HN -0.027 nan 8.280 nan 0.000 0.508 172 W N 1.571 122.967 121.300 0.160 0.000 3.047 172 W HA 0.280 4.943 4.660 0.005 0.000 0.250 172 W C 1.702 178.266 176.519 0.075 0.000 1.314 172 W CA 0.764 58.187 57.345 0.129 0.000 1.540 172 W CB -0.334 29.298 29.460 0.286 0.000 1.127 172 W HN 0.465 nan 8.180 nan 0.000 0.679 173 G N 1.394 110.328 108.800 0.223 0.000 2.634 173 G HA2 -0.497 3.466 3.960 0.006 0.000 0.309 173 G HA3 -0.497 3.466 3.960 0.006 0.000 0.309 173 G C 0.988 175.988 174.900 0.167 0.000 1.265 173 G CA 1.806 46.993 45.100 0.145 0.000 0.998 173 G HN 0.303 nan 8.290 nan 0.000 0.551 174 T N -0.894 113.730 114.554 0.117 0.000 3.163 174 T HA 0.188 4.542 4.350 0.006 0.000 0.260 174 T C 1.758 176.523 174.700 0.107 0.000 1.156 174 T CA 1.605 63.763 62.100 0.096 0.000 1.072 174 T CB 0.053 68.954 68.868 0.054 0.000 0.937 174 T HN 0.464 nan 8.240 nan 0.000 0.528 175 K N 0.849 121.349 120.400 0.167 0.000 2.432 175 K HA 0.191 4.515 4.320 0.006 0.000 0.196 175 K C 0.610 177.345 176.600 0.224 0.000 1.038 175 K CA 0.092 56.465 56.287 0.142 0.000 0.986 175 K CB -0.050 32.559 32.500 0.180 0.000 0.782 175 K HN 0.432 nan 8.250 nan 0.000 0.485 176 I N 3.021 123.741 120.570 0.251 0.000 2.337 176 I HA 0.048 4.222 4.170 0.006 0.000 0.291 176 I C 0.587 176.792 176.117 0.147 0.000 1.046 176 I CA -0.287 61.148 61.300 0.224 0.000 1.324 176 I CB 0.408 38.527 38.000 0.200 0.000 1.409 176 I HN -0.187 nan 8.210 nan 0.000 0.494 177 K N 4.588 125.070 120.400 0.137 0.000 2.210 177 K HA 0.217 4.540 4.320 0.006 0.000 0.236 177 K C 0.890 177.538 176.600 0.081 0.000 1.016 177 K CA -0.563 55.777 56.287 0.089 0.000 0.913 177 K CB 0.803 33.343 32.500 0.067 0.000 1.141 177 K HN 0.462 nan 8.250 nan 0.000 0.462 178 D N -0.481 119.955 120.400 0.060 0.000 2.309 178 D HA -0.098 4.546 4.640 0.006 0.000 0.212 178 D C 0.659 176.995 176.300 0.060 0.000 0.968 178 D CA 0.798 54.831 54.000 0.056 0.000 0.882 178 D CB -0.033 40.793 40.800 0.043 0.000 0.918 178 D HN 0.368 nan 8.370 nan 0.000 0.503 179 A N -0.366 122.493 122.820 0.065 0.000 2.610 179 A HA 0.461 4.785 4.320 0.006 0.000 0.286 179 A C 0.321 177.957 177.584 0.087 0.000 1.306 179 A CA -0.522 51.556 52.037 0.068 0.000 0.942 179 A CB -0.381 18.652 19.000 0.055 0.000 1.112 179 A HN 0.163 nan 8.150 nan 0.000 0.527 180 M N -0.056 119.598 119.600 0.089 0.000 2.535 180 M HA 0.609 5.093 4.480 0.006 0.000 0.314 180 M C -0.920 175.421 176.300 0.067 0.000 1.153 180 M CA -0.413 54.939 55.300 0.087 0.000 0.924 180 M CB 2.539 35.201 32.600 0.103 0.000 1.710 180 M HN 0.282 nan 8.290 nan 0.000 0.451 181 I N 1.028 121.635 120.570 0.061 0.000 2.619 181 I HA 0.569 4.743 4.170 0.006 0.000 0.292 181 I C -1.418 174.738 176.117 0.064 0.000 1.100 181 I CA -0.468 60.863 61.300 0.051 0.000 1.043 181 I CB 1.474 39.492 38.000 0.031 0.000 1.239 181 I HN 0.784 nan 8.210 nan 0.000 0.420 182 c N 5.778 124.408 118.600 0.049 0.000 2.399 182 c HA 1.016 5.589 4.570 0.006 0.000 0.348 182 c C 0.224 174.339 174.090 0.042 0.000 1.183 182 c CA -0.267 56.108 56.329 0.075 0.000 2.023 182 c CB 0.786 43.340 42.510 0.074 0.000 2.361 182 c HN 0.878 nan 8.230 nan 0.000 0.521 183 A N 0.895 123.764 122.820 0.082 0.000 2.604 183 A HA 0.919 5.243 4.320 0.006 0.000 0.295 183 A C -0.132 177.493 177.584 0.068 0.000 1.067 183 A CA 0.440 52.474 52.037 -0.005 0.000 0.683 183 A CB 0.811 19.679 19.000 -0.220 0.000 1.281 183 A HN 2.584 nan 8.150 nan 0.000 0.407 184 G N -0.060 108.752 108.800 0.021 0.000 2.501 184 G HA2 0.497 4.461 3.960 0.006 0.000 0.213 184 G HA3 0.497 4.461 3.960 0.006 0.000 0.213 184 G C 0.881 175.781 174.900 0.000 0.000 1.158 184 G CA 1.628 46.743 45.100 0.024 0.000 1.079 184 G HN 2.669 nan 8.290 nan 0.000 0.586 185 A N -1.853 120.956 122.820 -0.017 0.000 2.816 185 A HA 0.080 4.404 4.320 0.006 0.000 0.270 185 A C 1.631 179.190 177.584 -0.042 0.000 1.413 185 A CA 2.779 54.781 52.037 -0.058 0.000 0.866 185 A CB -2.155 16.799 19.000 -0.077 0.000 1.032 185 A HN 2.628 nan 8.150 nan 0.000 0.642 186 S N -2.556 113.130 115.700 -0.024 0.000 2.663 186 S HA 0.515 4.988 4.470 0.006 0.000 0.243 186 S C 1.612 176.204 174.600 -0.013 0.000 1.009 186 S CA 0.994 59.185 58.200 -0.016 0.000 0.988 186 S CB 0.402 63.597 63.200 -0.008 0.000 0.896 186 S HN 2.438 nan 8.310 nan 0.000 0.502 187 G N 0.425 109.215 108.800 -0.016 0.000 2.184 187 G HA2 -0.159 3.805 3.960 0.006 0.000 0.206 187 G HA3 -0.159 3.805 3.960 0.006 0.000 0.206 187 G C -0.012 174.885 174.900 -0.005 0.000 0.995 187 G CA -0.013 45.081 45.100 -0.011 0.000 0.651 187 G HN 1.586 nan 8.290 nan 0.000 0.511 188 V N -2.727 117.185 119.914 -0.005 0.000 3.160 188 V HA 0.988 5.112 4.120 0.006 0.000 0.310 188 V C -0.284 175.813 176.094 0.005 0.000 1.181 188 V CA -0.203 62.097 62.300 0.001 0.000 1.047 188 V CB 1.858 33.680 31.823 -0.000 0.000 1.068 188 V HN 1.509 nan 8.190 nan 0.000 0.441 189 S N 0.564 116.270 115.700 0.010 0.000 2.542 189 S HA 0.613 5.086 4.470 0.006 0.000 0.276 189 S C -0.513 174.096 174.600 0.016 0.000 1.148 189 S CA -0.272 57.936 58.200 0.014 0.000 0.886 189 S CB 1.942 65.144 63.200 0.004 0.000 1.109 189 S HN 1.240 nan 8.310 nan 0.000 0.458 190 S N 1.891 117.597 115.700 0.010 0.000 2.593 190 S HA 0.643 5.117 4.470 0.006 0.000 0.269 190 S C -0.146 174.460 174.600 0.010 0.000 1.334 190 S CA -0.318 57.881 58.200 -0.002 0.000 1.015 190 S CB 0.921 64.085 63.200 -0.059 0.000 0.912 190 S HN 0.849 nan 8.310 nan 0.000 0.541 191 c N 2.145 120.768 118.600 0.038 0.000 3.332 191 c HA 0.454 5.028 4.570 0.006 0.000 0.329 191 c C -1.035 173.120 174.090 0.108 0.000 1.434 191 c CA -1.023 55.353 56.329 0.078 0.000 1.314 191 c CB 1.081 43.651 42.510 0.100 0.000 1.664 191 c HN 0.807 nan 8.230 nan 0.000 0.457 192 M N 2.492 122.180 119.600 0.147 0.000 2.394 192 M HA 0.201 4.685 4.480 0.006 0.000 0.394 192 M C 1.338 177.741 176.300 0.172 0.000 1.611 192 M CA 1.625 57.026 55.300 0.168 0.000 0.941 192 M CB -1.439 31.274 32.600 0.188 0.000 2.094 192 M HN 1.267 nan 8.290 nan 0.000 0.485 193 G N 2.978 111.896 108.800 0.196 0.000 2.231 193 G HA2 -0.180 3.784 3.960 0.006 0.000 0.206 193 G HA3 -0.180 3.784 3.960 0.006 0.000 0.206 193 G C 0.569 175.638 174.900 0.281 0.000 0.996 193 G CA 0.056 45.312 45.100 0.260 0.000 0.645 193 G HN 0.584 nan 8.290 nan 0.000 0.498 194 D N 0.938 121.441 120.400 0.171 0.000 2.305 194 D HA 0.179 4.823 4.640 0.006 0.000 0.206 194 D C 1.463 177.823 176.300 0.100 0.000 0.974 194 D CA 0.736 54.808 54.000 0.120 0.000 0.871 194 D CB 0.059 40.892 40.800 0.055 0.000 0.947 194 D HN 0.327 nan 8.370 nan 0.000 0.516 195 S N -0.625 115.146 115.700 0.119 0.000 2.571 195 S HA 0.226 4.699 4.470 0.006 0.000 0.298 195 S C 1.544 176.164 174.600 0.034 0.000 1.280 195 S CA 1.006 59.281 58.200 0.124 0.000 1.052 195 S CB 0.726 64.100 63.200 0.289 0.000 0.799 195 S HN 0.497 nan 8.310 nan 0.000 0.501 196 G N 2.202 111.012 108.800 0.017 0.000 2.253 196 G HA2 -0.214 3.750 3.960 0.006 0.000 0.251 196 G HA3 -0.214 3.750 3.960 0.006 0.000 0.251 196 G C 0.488 175.414 174.900 0.044 0.000 0.998 196 G CA 0.156 45.251 45.100 -0.007 0.000 0.621 196 G HN 1.153 nan 8.290 nan 0.000 0.524 197 G N 0.980 109.816 108.800 0.061 0.000 2.651 197 G HA2 0.560 4.524 3.960 0.006 0.000 0.260 197 G HA3 0.560 4.524 3.960 0.006 0.000 0.260 197 G C -1.811 173.135 174.900 0.076 0.000 1.216 197 G CA -0.050 45.090 45.100 0.068 0.000 0.913 197 G HN 0.428 nan 8.290 nan 0.000 0.535 198 P HA 0.354 nan 4.420 nan 0.000 0.282 198 P C -1.181 176.097 177.300 -0.036 0.000 1.259 198 P CA -0.594 62.524 63.100 0.030 0.000 0.826 198 P CB 2.060 33.810 31.700 0.084 0.000 1.064 199 L N 3.754 124.925 121.223 -0.087 0.000 2.388 199 L HA 0.392 4.736 4.340 0.006 0.000 0.267 199 L C -0.833 175.921 176.870 -0.193 0.000 0.995 199 L CA -0.817 53.890 54.840 -0.222 0.000 0.864 199 L CB 1.044 42.832 42.059 -0.453 0.000 1.216 199 L HN 0.202 nan 8.230 nan 0.000 0.430 200 V N 1.346 121.187 119.914 -0.123 0.000 2.815 200 V HA 0.870 4.993 4.120 0.006 0.000 0.314 200 V C -0.286 175.920 176.094 0.186 0.000 1.064 200 V CA -0.613 61.697 62.300 0.018 0.000 0.952 200 V CB 1.359 33.290 31.823 0.180 0.000 1.020 200 V HN 0.816 nan 8.190 nan 0.000 0.439 201 c N 2.362 121.031 118.600 0.115 0.000 2.898 201 c HA 0.598 5.171 4.570 0.006 0.000 0.304 201 c C -0.032 174.044 174.090 -0.024 0.000 1.237 201 c CA -1.061 55.312 56.329 0.072 0.000 1.529 201 c CB 1.738 44.187 42.510 -0.102 0.000 2.021 201 c HN 1.001 nan 8.230 nan 0.000 0.474 202 K N 1.458 121.704 120.400 -0.256 0.000 2.270 202 K HA 0.359 4.682 4.320 0.006 0.000 0.276 202 K C -0.308 176.230 176.600 -0.103 0.000 1.023 202 K CA 0.056 56.109 56.287 -0.390 0.000 0.955 202 K CB 0.707 32.842 32.500 -0.609 0.000 0.975 202 K HN 0.586 nan 8.250 nan 0.000 0.471 203 K N 3.332 123.687 120.400 -0.074 0.000 2.656 203 K HA 0.087 4.410 4.320 0.006 0.000 0.241 203 K C -1.024 175.550 176.600 -0.042 0.000 0.967 203 K CA -0.362 55.931 56.287 0.009 0.000 0.946 203 K CB 0.423 32.991 32.500 0.114 0.000 1.164 203 K HN 0.611 nan 8.250 nan 0.000 0.459 204 N N 2.924 121.590 118.700 -0.057 0.000 2.758 204 N HA -0.191 4.553 4.740 0.006 0.000 0.248 204 N C 0.483 175.952 175.510 -0.068 0.000 1.076 204 N CA 1.465 54.483 53.050 -0.054 0.000 0.696 204 N CB -1.255 37.211 38.487 -0.036 0.000 0.979 204 N HN 1.117 nan 8.380 nan 0.000 0.550 205 G N -2.251 106.483 108.800 -0.111 0.000 2.179 205 G HA2 -0.108 3.856 3.960 0.006 0.000 0.260 205 G HA3 -0.108 3.856 3.960 0.006 0.000 0.260 205 G C 0.136 174.945 174.900 -0.152 0.000 0.977 205 G CA 0.856 45.879 45.100 -0.128 0.000 0.641 205 G HN 1.287 nan 8.290 nan 0.000 0.533 206 A N -0.819 121.913 122.820 -0.145 0.000 2.374 206 A HA 0.696 5.020 4.320 0.006 0.000 0.317 206 A C -0.444 177.052 177.584 -0.147 0.000 1.094 206 A CA -0.722 51.261 52.037 -0.090 0.000 0.765 206 A CB 0.849 19.848 19.000 -0.001 0.000 1.268 206 A HN 0.623 nan 8.150 nan 0.000 0.438 207 W N 1.384 122.703 121.300 0.032 0.000 2.304 207 W HA 0.466 5.130 4.660 0.007 0.000 0.313 207 W C 0.092 176.486 176.519 -0.209 0.000 1.323 207 W CA 0.573 57.905 57.345 -0.022 0.000 1.223 207 W CB 1.291 30.829 29.460 0.129 0.000 1.237 207 W HN 0.565 nan 8.180 nan 0.000 0.535 208 T N 4.477 119.053 114.554 0.035 0.000 2.841 208 T HA 0.295 4.649 4.350 0.006 0.000 0.283 208 T C -0.907 173.694 174.700 -0.165 0.000 1.000 208 T CA -0.840 61.213 62.100 -0.078 0.000 0.977 208 T CB 1.266 70.143 68.868 0.015 0.000 0.979 208 T HN 0.150 nan 8.240 nan 0.000 0.446 209 L N 4.692 125.797 121.223 -0.196 0.000 2.456 209 L HA 0.237 4.580 4.340 0.006 0.000 0.277 209 L C 0.755 177.494 176.870 -0.218 0.000 1.124 209 L CA 0.564 55.288 54.840 -0.194 0.000 0.880 209 L CB 0.132 42.102 42.059 -0.149 0.000 1.192 209 L HN 0.603 nan 8.230 nan 0.000 0.463 210 V N 4.196 123.921 119.914 -0.315 0.000 3.263 210 V HA 0.446 4.569 4.120 0.006 0.000 0.248 210 V C 1.002 176.971 176.094 -0.208 0.000 1.145 210 V CA 0.746 62.799 62.300 -0.410 0.000 1.107 210 V CB 0.082 31.474 31.823 -0.717 0.000 0.797 210 V HN 0.848 nan 8.190 nan 0.000 0.467 211 G N -0.584 108.116 108.800 -0.167 0.000 2.690 211 G HA2 0.716 4.680 3.960 0.006 0.000 0.291 211 G HA3 0.716 4.680 3.960 0.006 0.000 0.291 211 G C -1.667 173.273 174.900 0.068 0.000 1.403 211 G CA -0.541 44.533 45.100 -0.044 0.000 0.864 211 G HN 0.025 nan 8.290 nan 0.000 0.480 212 I N 0.950 121.631 120.570 0.185 0.000 2.466 212 I HA 0.242 4.415 4.170 0.006 0.000 0.289 212 I C 0.096 176.347 176.117 0.223 0.000 1.026 212 I CA -1.039 60.367 61.300 0.175 0.000 1.078 212 I CB 2.243 40.310 38.000 0.111 0.000 1.249 212 I HN 0.151 nan 8.210 nan 0.000 0.429 213 V N 5.249 125.273 119.914 0.183 0.000 2.584 213 V HA -0.064 4.060 4.120 0.006 0.000 0.303 213 V C 0.831 176.905 176.094 -0.033 0.000 1.035 213 V CA 0.856 63.104 62.300 -0.088 0.000 1.172 213 V CB 0.730 32.536 31.823 -0.029 0.000 0.896 213 V HN 0.983 nan 8.190 nan 0.000 0.486 214 S N 4.762 120.354 115.700 -0.180 0.000 3.393 214 S HA 0.387 4.861 4.470 0.006 0.000 0.209 214 S C -0.133 174.491 174.600 0.039 0.000 0.897 214 S CA 0.045 58.297 58.200 0.086 0.000 0.825 214 S CB 0.587 63.852 63.200 0.109 0.000 0.898 214 S HN 0.889 nan 8.310 nan 0.000 0.615 215 W N -0.130 120.998 121.300 -0.286 0.000 2.988 215 W HA 0.637 5.300 4.660 0.005 0.000 0.355 215 W C -0.160 176.168 176.519 -0.318 0.000 1.233 215 W CA -0.386 56.778 57.345 -0.302 0.000 1.176 215 W CB 0.257 29.521 29.460 -0.327 0.000 1.477 215 W HN 0.653 nan 8.180 nan 0.000 0.582 216 G N 0.348 109.183 108.800 0.058 0.000 2.498 216 G HA2 0.256 4.219 3.960 0.006 0.000 0.181 216 G HA3 0.256 4.219 3.960 0.006 0.000 0.181 216 G C -1.054 174.049 174.900 0.338 0.000 1.169 216 G CA -0.171 44.903 45.100 -0.042 0.000 0.992 216 G HN 0.810 nan 8.290 nan 0.000 0.490 217 S N 0.021 115.966 115.700 0.408 0.000 2.563 217 S HA 0.286 4.760 4.470 0.006 0.000 0.294 217 S C 1.490 176.174 174.600 0.140 0.000 1.279 217 S CA 0.812 59.212 58.200 0.332 0.000 1.069 217 S CB 0.595 63.869 63.200 0.123 0.000 0.828 217 S HN 0.830 nan 8.310 nan 0.000 0.497 218 S N 2.852 118.624 115.700 0.120 0.000 2.555 218 S HA -0.010 4.464 4.470 0.006 0.000 0.230 218 S C 1.462 175.885 174.600 -0.296 0.000 0.978 218 S CA 0.999 59.198 58.200 -0.002 0.000 0.934 218 S CB -0.133 63.100 63.200 0.056 0.000 0.766 218 S HN 0.970 nan 8.310 nan 0.000 0.533 219 T N -2.908 111.392 114.554 -0.424 0.000 3.200 219 T HA 0.201 4.555 4.350 0.006 0.000 0.284 219 T C 0.525 174.868 174.700 -0.596 0.000 1.009 219 T CA -0.194 61.287 62.100 -1.032 0.000 0.907 219 T CB -0.917 67.596 68.868 -0.592 0.000 1.120 219 T HN 0.208 nan 8.240 nan 0.000 0.534 220 c N 1.827 120.265 118.600 -0.270 0.000 4.235 220 c HA -0.147 4.427 4.570 0.006 0.000 0.301 220 c C 1.048 175.105 174.090 -0.054 0.000 1.409 220 c CA 0.379 56.657 56.329 -0.084 0.000 2.024 220 c CB -3.303 39.208 42.510 0.002 0.000 1.286 220 c HN 0.910 nan 8.230 nan 0.000 0.746 221 S N 0.776 116.435 115.700 -0.068 0.000 2.549 221 S HA 0.343 4.817 4.470 0.006 0.000 0.283 221 S C 1.451 176.020 174.600 -0.051 0.000 1.320 221 S CA 0.593 58.758 58.200 -0.058 0.000 1.058 221 S CB 0.849 64.002 63.200 -0.079 0.000 0.882 221 S HN 0.938 nan 8.310 nan 0.000 0.498 222 T N 0.979 115.509 114.554 -0.040 0.000 3.148 222 T HA 0.040 4.394 4.350 0.006 0.000 0.253 222 T C 1.276 175.940 174.700 -0.060 0.000 1.134 222 T CA 0.591 62.669 62.100 -0.036 0.000 1.051 222 T CB -0.341 68.516 68.868 -0.018 0.000 0.959 222 T HN 0.619 nan 8.240 nan 0.000 0.525 223 S N 0.639 116.282 115.700 -0.096 0.000 2.539 223 S HA 0.218 4.691 4.470 0.006 0.000 0.221 223 S C 0.770 175.231 174.600 -0.232 0.000 0.987 223 S CA -0.300 57.824 58.200 -0.128 0.000 0.929 223 S CB -0.227 62.907 63.200 -0.110 0.000 0.832 223 S HN 0.692 nan 8.310 nan 0.000 0.492 224 T N -0.129 114.260 114.554 -0.276 0.000 2.918 224 T HA 0.672 5.026 4.350 0.006 0.000 0.286 224 T C -3.462 171.115 174.700 -0.206 0.000 1.026 224 T CA -2.543 59.264 62.100 -0.488 0.000 1.031 224 T CB 1.209 69.628 68.868 -0.749 0.000 1.046 224 T HN -0.151 nan 8.240 nan 0.000 0.479 225 P HA 0.346 nan 4.420 nan 0.000 0.271 225 P C 0.235 177.655 177.300 0.200 0.000 1.220 225 P CA 0.004 63.166 63.100 0.103 0.000 0.768 225 P CB 0.314 32.136 31.700 0.202 0.000 0.848 226 G N 2.160 111.013 108.800 0.088 0.000 2.420 226 G HA2 0.478 4.442 3.960 0.006 0.000 0.284 226 G HA3 0.478 4.442 3.960 0.006 0.000 0.284 226 G C -0.831 173.950 174.900 -0.198 0.000 1.177 226 G CA -0.368 44.696 45.100 -0.059 0.000 0.841 226 G HN 0.338 nan 8.290 nan 0.000 0.527 227 V N 1.783 121.279 119.914 -0.697 0.000 2.513 227 V HA 0.518 4.642 4.120 0.006 0.000 0.299 227 V C -0.948 174.707 176.094 -0.731 0.000 1.035 227 V CA -0.673 61.142 62.300 -0.808 0.000 0.889 227 V CB 0.901 31.617 31.823 -1.845 0.000 0.988 227 V HN 0.636 nan 8.190 nan 0.000 0.440 228 Y N 1.297 121.428 120.300 -0.282 0.000 2.570 228 Y HA 0.739 5.293 4.550 0.007 0.000 0.345 228 Y C 0.442 176.311 175.900 -0.053 0.000 1.014 228 Y CA -1.072 56.952 58.100 -0.128 0.000 1.063 228 Y CB 1.765 40.167 38.460 -0.097 0.000 1.272 228 Y HN 0.718 nan 8.280 nan 0.000 0.477 229 A N 2.236 125.150 122.820 0.157 0.000 2.454 229 A HA 0.340 4.663 4.320 0.006 0.000 0.260 229 A C 0.238 177.886 177.584 0.108 0.000 1.106 229 A CA -0.528 51.586 52.037 0.127 0.000 0.780 229 A CB -0.027 19.043 19.000 0.117 0.000 1.044 229 A HN 0.784 nan 8.150 nan 0.000 0.498 230 R N 3.496 124.049 120.500 0.088 0.000 2.291 230 R HA 0.252 4.595 4.340 0.006 0.000 0.333 230 R C 0.442 176.785 176.300 0.071 0.000 1.082 230 R CA -0.307 55.835 56.100 0.070 0.000 0.948 230 R CB 0.183 30.527 30.300 0.073 0.000 1.009 230 R HN 0.569 nan 8.270 nan 0.000 0.460 231 V N 3.270 123.217 119.914 0.055 0.000 2.392 231 V HA -0.279 3.845 4.120 0.006 0.000 0.249 231 V C 2.376 178.524 176.094 0.090 0.000 1.059 231 V CA 2.381 64.721 62.300 0.067 0.000 1.051 231 V CB -0.691 31.150 31.823 0.030 0.000 0.658 231 V HN 0.933 nan 8.190 nan 0.000 0.455 232 T N -0.895 113.722 114.554 0.106 0.000 2.833 232 T HA -0.125 4.229 4.350 0.006 0.000 0.269 232 T C 1.743 176.500 174.700 0.095 0.000 1.054 232 T CA 1.419 63.591 62.100 0.120 0.000 1.135 232 T CB -0.397 68.563 68.868 0.154 0.000 0.869 232 T HN 0.500 nan 8.240 nan 0.000 0.466 233 A N 0.469 123.342 122.820 0.089 0.000 2.208 233 A HA 0.514 4.838 4.320 0.006 0.000 0.209 233 A C 1.984 179.620 177.584 0.088 0.000 1.161 233 A CA 0.314 52.398 52.037 0.078 0.000 0.782 233 A CB -0.366 18.674 19.000 0.068 0.000 0.816 233 A HN 0.573 nan 8.150 nan 0.000 0.477 234 L N -1.978 119.311 121.223 0.109 0.000 2.920 234 L HA 0.170 4.514 4.340 0.006 0.000 0.257 234 L C 1.828 178.838 176.870 0.233 0.000 1.150 234 L CA 0.029 54.963 54.840 0.157 0.000 0.959 234 L CB 0.560 42.691 42.059 0.120 0.000 1.321 234 L HN 0.143 nan 8.230 nan 0.000 0.555 235 V N 0.856 120.861 119.914 0.153 0.000 2.626 235 V HA -0.199 3.925 4.120 0.006 0.000 0.252 235 V C 2.110 178.255 176.094 0.084 0.000 1.067 235 V CA 1.879 64.247 62.300 0.113 0.000 1.081 235 V CB -0.182 31.683 31.823 0.070 0.000 0.686 235 V HN 0.516 nan 8.190 nan 0.000 0.468 236 N N -0.622 118.139 118.700 0.102 0.000 2.166 236 N HA -0.212 4.532 4.740 0.006 0.000 0.186 236 N C 1.399 176.956 175.510 0.077 0.000 1.019 236 N CA 1.924 55.014 53.050 0.066 0.000 0.856 236 N CB -0.535 37.997 38.487 0.075 0.000 0.993 236 N HN 0.819 nan 8.380 nan 0.000 0.426 237 W N 1.871 123.160 121.300 -0.019 0.000 2.363 237 W HA -0.088 4.576 4.660 0.006 0.000 0.296 237 W C 1.820 178.302 176.519 -0.062 0.000 1.212 237 W CA 0.804 58.137 57.345 -0.020 0.000 1.260 237 W CB -0.326 29.142 29.460 0.012 0.000 1.131 237 W HN -0.239 nan 8.180 nan 0.000 0.530 238 V N 1.277 121.144 119.914 -0.078 0.000 2.261 238 V HA -0.348 3.776 4.120 0.006 0.000 0.246 238 V C 2.631 178.442 176.094 -0.472 0.000 1.047 238 V CA 2.222 64.300 62.300 -0.370 0.000 1.015 238 V CB -1.097 30.681 31.823 -0.074 0.000 0.642 238 V HN 0.184 nan 8.190 nan 0.000 0.446 239 Q N -0.165 119.466 119.800 -0.282 0.000 2.096 239 Q HA -0.252 4.092 4.340 0.006 0.000 0.204 239 Q C 2.261 178.065 176.000 -0.325 0.000 0.982 239 Q CA 1.814 57.452 55.803 -0.276 0.000 0.850 239 Q CB -0.457 28.188 28.738 -0.155 0.000 0.901 239 Q HN 0.723 nan 8.270 nan 0.000 0.422 240 Q N -0.421 119.196 119.800 -0.305 0.000 2.084 240 Q HA -0.102 4.241 4.340 0.006 0.000 0.202 240 Q C 2.118 177.876 176.000 -0.404 0.000 0.978 240 Q CA 1.713 57.347 55.803 -0.281 0.000 0.844 240 Q CB -0.124 28.496 28.738 -0.196 0.000 0.898 240 Q HN 0.358 nan 8.270 nan 0.000 0.426 241 T N 1.168 115.332 114.554 -0.649 0.000 2.746 241 T HA -0.128 4.226 4.350 0.006 0.000 0.267 241 T C 1.724 175.945 174.700 -0.797 0.000 1.039 241 T CA 0.929 62.566 62.100 -0.771 0.000 1.142 241 T CB -0.150 68.023 68.868 -1.159 0.000 0.866 241 T HN 0.034 nan 8.240 nan 0.000 0.444 242 L N 1.220 121.903 121.223 -0.899 0.000 2.017 242 L HA 0.054 4.398 4.340 0.006 0.000 0.208 242 L C 2.844 179.425 176.870 -0.481 0.000 1.073 242 L CA 1.642 55.909 54.840 -0.954 0.000 0.745 242 L CB -1.237 40.283 42.059 -0.900 0.000 0.894 242 L HN 0.234 nan 8.230 nan 0.000 0.432 243 A N -0.768 121.837 122.820 -0.357 0.000 1.940 243 A HA -0.127 4.196 4.320 0.006 0.000 0.219 243 A C 2.266 179.762 177.584 -0.147 0.000 1.176 243 A CA 1.766 53.678 52.037 -0.208 0.000 0.631 243 A CB -0.792 18.105 19.000 -0.171 0.000 0.814 243 A HN 0.380 nan 8.150 nan 0.000 0.446 244 A N -1.300 121.419 122.820 -0.168 0.000 2.251 244 A HA 0.254 4.577 4.320 0.006 0.000 0.209 244 A C 0.699 178.265 177.584 -0.030 0.000 1.187 244 A CA -0.047 51.941 52.037 -0.083 0.000 0.823 244 A CB -0.110 18.848 19.000 -0.070 0.000 0.846 244 A HN 0.538 nan 8.150 nan 0.000 0.486 245 N N 0.000 118.671 118.700 -0.049 0.000 1.763 245 N HA 0.000 4.744 4.740 0.006 0.000 0.220 245 N CA 0.000 53.111 53.050 0.101 0.000 0.885 245 N CB 0.000 38.568 38.487 0.136 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667