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 1p2o_1_C DATA FIRST_RESID 1 DATA SEQUENCE cGVPAIQPVL XXXXXIVNGE 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 0.000 174.169 174.090 0.132 0.000 1.270 1 c CA 0.000 56.413 56.329 0.140 0.000 1.963 1 c CB 0.000 42.566 42.510 0.093 0.000 2.134 2 G N 0.641 109.529 108.800 0.147 0.000 2.189 2 G HA2 -0.099 3.866 3.960 0.007 0.000 0.267 2 G HA3 -0.099 3.866 3.960 0.007 0.000 0.267 2 G C -0.149 175.020 174.900 0.449 0.000 0.975 2 G CA 0.493 45.713 45.100 0.200 0.000 0.644 2 G HN 2.055 nan 8.290 nan 0.000 0.537 3 V N 1.910 122.046 119.914 0.371 0.000 2.289 3 V HA 0.397 4.522 4.120 0.007 0.000 0.272 3 V C -1.723 174.506 176.094 0.225 0.000 1.026 3 V CA -1.528 60.949 62.300 0.295 0.000 0.807 3 V CB 1.346 33.265 31.823 0.161 0.000 1.044 3 V HN 0.159 nan 8.190 nan 0.000 0.443 4 P HA 0.203 nan 4.420 nan 0.000 0.266 4 P C 0.902 178.171 177.300 -0.052 0.000 1.195 4 P CA 0.021 63.097 63.100 -0.040 0.000 0.768 4 P CB 1.133 32.674 31.700 -0.264 0.000 0.838 5 A N 3.677 126.448 122.820 -0.081 0.000 1.969 5 A HA -0.023 4.302 4.320 0.007 0.000 0.218 5 A C 0.985 178.509 177.584 -0.100 0.000 1.169 5 A CA 0.974 52.972 52.037 -0.065 0.000 0.635 5 A CB -0.609 18.355 19.000 -0.059 0.000 0.810 5 A HN 0.561 nan 8.150 nan 0.000 0.445 6 I N 0.762 121.233 120.570 -0.164 0.000 2.337 6 I HA 0.121 4.295 4.170 0.007 0.000 0.285 6 I C 0.173 176.138 176.117 -0.253 0.000 1.041 6 I CA -0.359 60.822 61.300 -0.198 0.000 1.199 6 I CB 1.146 39.003 38.000 -0.238 0.000 1.370 6 I HN 0.344 nan 8.210 nan 0.000 0.470 7 Q N 8.838 128.529 119.800 -0.182 0.000 2.263 7 Q HA 0.104 4.449 4.340 0.007 0.000 0.289 7 Q C -2.084 173.753 176.000 -0.273 0.000 1.061 7 Q CA -1.180 54.519 55.803 -0.173 0.000 0.927 7 Q CB 0.716 29.404 28.738 -0.082 0.000 1.154 7 Q HN 0.325 nan 8.270 nan 0.000 0.378 8 P HA 0.038 nan 4.420 nan 0.000 0.275 8 P C -1.127 176.055 177.300 -0.196 0.000 1.227 8 P CA -0.131 62.643 63.100 -0.544 0.000 0.781 8 P CB 0.978 32.003 31.700 -1.125 0.000 0.906 9 V N 4.600 124.435 119.914 -0.131 0.000 2.376 9 V HA 0.306 4.431 4.120 0.007 0.000 0.287 9 V C 0.624 176.743 176.094 0.041 0.000 1.015 9 V CA -0.447 61.838 62.300 -0.025 0.000 0.834 9 V CB 1.108 32.906 31.823 -0.042 0.000 1.001 9 V HN 0.435 nan 8.190 nan 0.000 0.428 17 V N 5.896 125.818 119.914 0.015 0.000 2.498 17 V HA 0.304 4.428 4.120 0.007 0.000 0.279 17 V C 0.956 177.056 176.094 0.010 0.000 1.048 17 V CA 0.010 62.323 62.300 0.022 0.000 0.967 17 V CB 1.017 32.861 31.823 0.036 0.000 0.988 17 V HN 0.999 nan 8.190 nan 0.000 0.473 18 N N 2.190 120.896 118.700 0.010 0.000 2.747 18 N HA -0.158 4.586 4.740 0.007 0.000 0.249 18 N C 0.614 176.125 175.510 0.001 0.000 1.107 18 N CA 0.320 53.374 53.050 0.007 0.000 0.707 18 N CB -0.524 37.968 38.487 0.008 0.000 1.054 18 N HN 0.893 nan 8.380 nan 0.000 0.555 19 G N 0.485 109.281 108.800 -0.006 0.000 2.641 19 G HA2 0.587 4.551 3.960 0.007 0.000 0.239 19 G HA3 0.587 4.551 3.960 0.007 0.000 0.239 19 G C -0.261 174.635 174.900 -0.007 0.000 1.402 19 G CA -0.093 44.998 45.100 -0.015 0.000 1.046 19 G HN 0.372 nan 8.290 nan 0.000 0.565 20 E N -1.367 118.829 120.200 -0.007 0.000 2.429 20 E HA 0.392 4.746 4.350 0.007 0.000 0.276 20 E C -1.153 175.456 176.600 0.016 0.000 0.953 20 E CA -0.793 55.614 56.400 0.010 0.000 0.787 20 E CB 1.842 31.557 29.700 0.025 0.000 1.307 20 E HN 0.390 nan 8.360 nan 0.000 0.458 21 E N 0.803 121.026 120.200 0.038 0.000 2.344 21 E HA 0.328 4.682 4.350 0.007 0.000 0.270 21 E C -0.638 176.034 176.600 0.120 0.000 1.021 21 E CA -0.192 56.254 56.400 0.076 0.000 0.887 21 E CB 0.798 30.563 29.700 0.107 0.000 0.997 21 E HN 0.548 nan 8.360 nan 0.000 0.429 22 A N 3.599 126.527 122.820 0.180 0.000 2.287 22 A HA 0.288 4.612 4.320 0.007 0.000 0.273 22 A C -0.323 177.314 177.584 0.089 0.000 1.091 22 A CA -0.661 51.489 52.037 0.189 0.000 0.817 22 A CB 0.858 20.040 19.000 0.303 0.000 1.069 22 A HN 0.513 nan 8.150 nan 0.000 0.492 23 V N 2.466 122.327 119.914 -0.089 0.000 2.572 23 V HA 0.147 4.272 4.120 0.007 0.000 0.291 23 V C -2.053 173.799 176.094 -0.404 0.000 1.039 23 V CA -0.833 61.322 62.300 -0.243 0.000 1.055 23 V CB 0.653 32.319 31.823 -0.261 0.000 0.969 23 V HN 0.723 nan 8.190 nan 0.000 0.482 24 P HA 0.118 nan 4.420 nan 0.000 0.260 24 P C 0.908 177.936 177.300 -0.453 0.000 1.185 24 P CA 1.499 64.010 63.100 -0.981 0.000 0.763 24 P CB 0.236 31.291 31.700 -1.074 0.000 0.776 25 G N 3.119 111.755 108.800 -0.273 0.000 2.162 25 G HA2 -0.311 3.654 3.960 0.007 0.000 0.260 25 G HA3 -0.311 3.654 3.960 0.007 0.000 0.260 25 G C 1.022 175.711 174.900 -0.351 0.000 0.976 25 G CA 0.524 45.491 45.100 -0.223 0.000 0.655 25 G HN 0.585 nan 8.290 nan 0.000 0.533 26 S N -1.786 113.620 115.700 -0.489 0.000 2.607 26 S HA 0.209 4.683 4.470 0.007 0.000 0.224 26 S C 0.562 174.422 174.600 -1.233 0.000 0.969 26 S CA 0.512 58.234 58.200 -0.797 0.000 0.927 26 S CB -0.261 62.412 63.200 -0.878 0.000 0.772 26 S HN 0.642 nan 8.310 nan 0.000 0.533 27 W N 2.043 122.984 121.300 -0.599 0.000 1.890 27 W HA 0.407 5.072 4.660 0.008 0.000 0.293 27 W C -2.105 173.831 176.519 -0.972 0.000 0.895 27 W CA -2.079 54.663 57.345 -1.005 0.000 1.968 27 W CB 1.139 30.161 29.460 -0.729 0.000 2.198 27 W HN 0.053 nan 8.180 nan 0.000 0.401 28 P HA -0.211 nan 4.420 nan 0.000 0.221 28 P C 0.878 178.018 177.300 -0.266 0.000 1.145 28 P CA 1.779 64.620 63.100 -0.432 0.000 0.795 28 P CB 0.072 31.562 31.700 -0.350 0.000 0.775 29 W N -0.179 121.127 121.300 0.009 0.000 2.863 29 W HA 0.326 4.990 4.660 0.007 0.000 0.258 29 W C 0.793 177.345 176.519 0.055 0.000 1.298 29 W CA -0.480 56.871 57.345 0.011 0.000 1.451 29 W CB -1.581 27.895 29.460 0.027 0.000 1.107 29 W HN -0.136 nan 8.180 nan 0.000 0.641 30 Q N 2.952 122.754 119.800 0.003 0.000 2.271 30 Q HA 0.299 4.644 4.340 0.007 0.000 0.273 30 Q C -0.221 175.901 176.000 0.202 0.000 1.051 30 Q CA -0.072 55.795 55.803 0.106 0.000 0.901 30 Q CB 0.859 29.550 28.738 -0.079 0.000 1.174 30 Q HN 0.248 nan 8.270 nan 0.000 0.385 31 V N 0.910 120.974 119.914 0.249 0.000 3.046 31 V HA 0.818 4.943 4.120 0.007 0.000 0.316 31 V C -0.593 175.673 176.094 0.286 0.000 1.104 31 V CA -0.822 61.623 62.300 0.242 0.000 1.006 31 V CB 2.038 33.949 31.823 0.146 0.000 1.058 31 V HN 0.695 nan 8.190 nan 0.000 0.440 32 S N 2.528 118.311 115.700 0.140 0.000 2.437 32 S HA 0.689 5.164 4.470 0.007 0.000 0.305 32 S C -0.657 173.849 174.600 -0.158 0.000 1.109 32 S CA -0.720 57.496 58.200 0.026 0.000 1.099 32 S CB 0.430 63.492 63.200 -0.229 0.000 1.004 32 S HN 0.754 nan 8.310 nan 0.000 0.475 33 L N 5.171 126.148 121.223 -0.408 0.000 2.264 33 L HA 0.496 4.841 4.340 0.007 0.000 0.289 33 L C 0.164 176.580 176.870 -0.756 0.000 1.044 33 L CA -0.398 54.095 54.840 -0.578 0.000 0.807 33 L CB 1.065 42.630 42.059 -0.823 0.000 1.192 33 L HN 0.667 nan 8.230 nan 0.000 0.425 34 Q N 1.364 121.031 119.800 -0.223 0.000 2.433 34 Q HA 0.339 4.683 4.340 0.007 0.000 0.279 34 Q C -1.124 175.085 176.000 0.348 0.000 1.105 34 Q CA -1.089 54.752 55.803 0.064 0.000 0.815 34 Q CB 2.633 31.372 28.738 0.003 0.000 1.403 34 Q HN 0.617 nan 8.270 nan 0.000 0.435 35 D N -0.089 120.548 120.400 0.396 0.000 2.447 35 D HA -0.008 4.636 4.640 0.007 0.000 0.265 35 D C 0.631 177.015 176.300 0.141 0.000 1.250 35 D CA -0.451 53.693 54.000 0.240 0.000 1.046 35 D CB 0.542 41.433 40.800 0.152 0.000 1.095 35 D HN 0.608 nan 8.370 nan 0.000 0.555 36 K N -1.676 118.772 120.400 0.081 0.000 2.442 36 K HA -0.149 4.175 4.320 0.007 0.000 0.199 36 K C 1.275 177.906 176.600 0.051 0.000 1.044 36 K CA 1.589 57.907 56.287 0.052 0.000 0.941 36 K CB -0.704 31.811 32.500 0.025 0.000 0.759 36 K HN 0.529 nan 8.250 nan 0.000 0.472 37 T N -3.969 110.629 114.554 0.073 0.000 3.060 37 T HA 0.298 4.652 4.350 0.007 0.000 0.249 37 T C 1.328 176.080 174.700 0.087 0.000 1.079 37 T CA 0.195 62.337 62.100 0.069 0.000 1.013 37 T CB 0.486 69.395 68.868 0.068 0.000 0.975 37 T HN 0.452 nan 8.240 nan 0.000 0.518 38 G N 1.020 109.883 108.800 0.105 0.000 2.159 38 G HA2 -0.183 3.782 3.960 0.007 0.000 0.227 38 G HA3 -0.183 3.782 3.960 0.007 0.000 0.227 38 G C -0.229 174.731 174.900 0.100 0.000 0.986 38 G CA -0.238 44.904 45.100 0.070 0.000 0.651 38 G HN 0.610 nan 8.290 nan 0.000 0.523 39 F N 2.845 122.826 119.950 0.052 0.000 2.471 39 F HA 0.589 5.119 4.527 0.006 0.000 0.365 39 F C 0.893 176.779 175.800 0.143 0.000 1.095 39 F CA -0.907 57.143 58.000 0.084 0.000 1.174 39 F CB 0.339 39.389 39.000 0.084 0.000 1.105 39 F HN 0.297 nan 8.300 nan 0.000 0.535 40 H N 7.034 125.735 119.070 -0.615 0.000 2.899 40 H HA 0.164 4.725 4.556 0.007 0.000 0.303 40 H C 0.120 175.217 175.328 -0.384 0.000 1.042 40 H CA 0.305 56.065 56.048 -0.480 0.000 1.479 40 H CB 0.310 29.766 29.762 -0.510 0.000 1.493 40 H HN 0.619 nan 8.280 nan 0.000 0.534 41 F N 1.197 120.837 119.950 -0.517 0.000 2.784 41 F HA 0.442 4.973 4.527 0.007 0.000 0.323 41 F C -0.405 175.232 175.800 -0.272 0.000 1.085 41 F CA -0.708 57.172 58.000 -0.199 0.000 1.196 41 F CB -0.043 38.995 39.000 0.063 0.000 1.053 41 F HN 0.431 nan 8.300 nan 0.000 0.578 42 c N 0.297 118.277 118.600 -1.034 0.000 3.292 42 c HA 0.739 5.313 4.570 0.007 0.000 0.338 42 c C 0.493 174.282 174.090 -0.501 0.000 1.323 42 c CA -0.583 55.408 56.329 -0.564 0.000 1.232 42 c CB 1.187 43.466 42.510 -0.386 0.000 1.517 42 c HN 0.689 nan 8.230 nan 0.000 0.470 43 G N -0.140 108.593 108.800 -0.111 0.000 2.521 43 G HA2 0.833 4.798 3.960 0.007 0.000 0.323 43 G HA3 0.833 4.798 3.960 0.007 0.000 0.323 43 G C -0.355 174.553 174.900 0.013 0.000 1.211 43 G CA 0.188 45.328 45.100 0.066 0.000 0.979 43 G HN 1.437 nan 8.290 nan 0.000 0.490 44 G N -1.716 107.137 108.800 0.087 0.000 2.608 44 G HA2 0.542 4.506 3.960 0.007 0.000 0.291 44 G HA3 0.542 4.506 3.960 0.007 0.000 0.291 44 G C -1.431 173.562 174.900 0.155 0.000 1.425 44 G CA -0.306 44.849 45.100 0.091 0.000 0.787 44 G HN 0.869 nan 8.290 nan 0.000 0.484 45 S N -0.425 115.375 115.700 0.166 0.000 2.614 45 S HA 0.500 4.974 4.470 0.007 0.000 0.288 45 S C -0.360 174.370 174.600 0.216 0.000 1.137 45 S CA -0.492 57.843 58.200 0.225 0.000 0.992 45 S CB 1.422 64.719 63.200 0.162 0.000 1.026 45 S HN 0.560 nan 8.310 nan 0.000 0.486 46 L N 3.966 125.350 121.223 0.269 0.000 2.410 46 L HA 0.340 4.684 4.340 0.007 0.000 0.273 46 L C 1.237 178.253 176.870 0.244 0.000 1.152 46 L CA 0.013 55.012 54.840 0.264 0.000 0.855 46 L CB 0.403 42.623 42.059 0.268 0.000 1.129 46 L HN 0.781 nan 8.230 nan 0.000 0.463 47 I N -0.491 120.225 120.570 0.244 0.000 4.181 47 I HA 0.306 4.480 4.170 0.007 0.000 0.331 47 I C 0.037 176.298 176.117 0.239 0.000 1.312 47 I CA -0.203 61.206 61.300 0.182 0.000 1.146 47 I CB 0.298 38.367 38.000 0.115 0.000 1.074 47 I HN 0.733 nan 8.210 nan 0.000 0.402 48 N N 0.098 119.006 118.700 0.346 0.000 3.356 48 N HA 0.018 4.763 4.740 0.007 0.000 0.246 48 N C 0.360 176.085 175.510 0.358 0.000 1.480 48 N CA -0.182 53.081 53.050 0.355 0.000 0.877 48 N CB 0.329 38.929 38.487 0.187 0.000 1.431 48 N HN -0.010 nan 8.380 nan 0.000 0.500 49 E N -0.218 119.989 120.200 0.012 0.000 2.265 49 E HA -0.145 4.209 4.350 0.007 0.000 0.196 49 E C -0.295 176.346 176.600 0.069 0.000 0.996 49 E CA 1.335 57.691 56.400 -0.074 0.000 0.832 49 E CB -0.507 28.952 29.700 -0.401 0.000 0.756 49 E HN 0.616 nan 8.360 nan 0.000 0.491 50 N N -0.837 117.939 118.700 0.126 0.000 2.184 50 N HA 0.073 4.817 4.740 0.007 0.000 0.206 50 N C -0.801 174.613 175.510 -0.160 0.000 1.151 50 N CA 0.069 53.123 53.050 0.006 0.000 0.878 50 N CB 0.423 38.912 38.487 0.004 0.000 1.014 50 N HN 0.090 nan 8.380 nan 0.000 0.512 51 W N 0.614 121.948 121.300 0.058 0.000 2.883 51 W HA 0.550 5.214 4.660 0.007 0.000 0.335 51 W C -0.610 175.963 176.519 0.089 0.000 1.083 51 W CA -0.533 56.844 57.345 0.053 0.000 1.233 51 W CB 1.253 30.712 29.460 -0.003 0.000 1.412 51 W HN -0.435 nan 8.180 nan 0.000 0.490 52 V N 3.394 123.486 119.914 0.298 0.000 2.604 52 V HA 0.566 4.690 4.120 0.007 0.000 0.305 52 V C -0.905 175.334 176.094 0.242 0.000 1.043 52 V CA -1.190 61.248 62.300 0.231 0.000 0.888 52 V CB 1.909 33.826 31.823 0.158 0.000 0.995 52 V HN 0.331 nan 8.190 nan 0.000 0.429 53 V N 4.566 124.602 119.914 0.203 0.000 2.435 53 V HA 0.831 4.956 4.120 0.007 0.000 0.290 53 V C 0.011 176.190 176.094 0.143 0.000 1.030 53 V CA 0.524 62.941 62.300 0.195 0.000 0.881 53 V CB 1.926 33.852 31.823 0.173 0.000 0.983 53 V HN 1.104 nan 8.190 nan 0.000 0.445 54 T N 4.417 119.048 114.554 0.128 0.000 2.618 54 T HA 0.777 5.131 4.350 0.007 0.000 0.286 54 T C -0.562 174.150 174.700 0.020 0.000 1.027 54 T CA 0.124 62.260 62.100 0.059 0.000 1.063 54 T CB 1.559 70.442 68.868 0.025 0.000 1.440 54 T HN 1.200 nan 8.240 nan 0.000 0.505 55 A N 0.277 123.052 122.820 -0.074 0.000 2.304 55 A HA 0.747 5.071 4.320 0.007 0.000 0.301 55 A C 1.411 178.843 177.584 -0.254 0.000 1.132 55 A CA 0.220 52.162 52.037 -0.158 0.000 0.819 55 A CB 0.379 19.201 19.000 -0.296 0.000 1.094 55 A HN 1.159 nan 8.150 nan 0.000 0.492 56 A N 0.840 123.473 122.820 -0.311 0.000 1.969 56 A HA -0.110 4.214 4.320 0.007 0.000 0.218 56 A C 1.740 178.996 177.584 -0.547 0.000 1.169 56 A CA 1.646 53.382 52.037 -0.502 0.000 0.635 56 A CB -0.949 17.512 19.000 -0.898 0.000 0.810 56 A HN 1.064 nan 8.150 nan 0.000 0.445 57 H N -1.837 116.983 119.070 -0.417 0.000 2.545 57 H HA -0.040 4.520 4.556 0.008 0.000 0.282 57 H C 1.679 176.987 175.328 -0.034 0.000 1.020 57 H CA 1.221 57.166 56.048 -0.172 0.000 1.243 57 H CB -0.841 28.927 29.762 0.009 0.000 1.377 57 H HN 0.402 nan 8.280 nan 0.000 0.581 58 c N 1.107 119.475 118.600 -0.386 0.000 2.437 58 c HA 0.116 4.690 4.570 0.007 0.000 0.283 58 c C 2.026 176.144 174.090 0.046 0.000 1.424 58 c CA 0.912 57.190 56.329 -0.084 0.000 1.782 58 c CB -1.243 41.242 42.510 -0.042 0.000 1.833 58 c HN 0.915 nan 8.230 nan 0.000 0.532 59 G N 1.053 109.833 108.800 -0.032 0.000 2.305 59 G HA2 -0.223 3.741 3.960 0.007 0.000 0.287 59 G HA3 -0.223 3.741 3.960 0.007 0.000 0.287 59 G C 0.082 174.970 174.900 -0.022 0.000 1.036 59 G CA 0.360 45.439 45.100 -0.035 0.000 0.887 59 G HN 0.437 nan 8.290 nan 0.000 0.505 60 V N 0.673 120.631 119.914 0.073 0.000 2.763 60 V HA 0.523 4.648 4.120 0.007 0.000 0.306 60 V C 1.214 177.334 176.094 0.044 0.000 1.059 60 V CA 0.865 63.244 62.300 0.132 0.000 1.138 60 V CB 1.074 33.009 31.823 0.186 0.000 0.940 60 V HN 0.997 nan 8.190 nan 0.000 0.489 61 T N -0.516 114.057 114.554 0.032 0.000 2.864 61 T HA 0.326 4.680 4.350 0.007 0.000 0.289 61 T C 0.946 175.654 174.700 0.014 0.000 1.082 61 T CA 0.090 62.190 62.100 -0.001 0.000 1.009 61 T CB 1.592 70.441 68.868 -0.032 0.000 1.234 61 T HN 0.743 nan 8.240 nan 0.000 0.526 62 T N -1.204 113.345 114.554 -0.008 0.000 3.113 62 T HA 0.028 4.382 4.350 0.007 0.000 0.263 62 T C 1.672 176.374 174.700 0.002 0.000 1.143 62 T CA 0.840 62.936 62.100 -0.007 0.000 1.090 62 T CB -0.612 68.241 68.868 -0.025 0.000 0.922 62 T HN 0.469 nan 8.240 nan 0.000 0.521 63 S N 1.098 116.800 115.700 0.003 0.000 2.528 63 S HA 0.104 4.578 4.470 0.007 0.000 0.219 63 S C 0.512 175.132 174.600 0.033 0.000 0.985 63 S CA -0.128 58.076 58.200 0.006 0.000 0.914 63 S CB -0.047 63.147 63.200 -0.010 0.000 0.776 63 S HN 0.581 nan 8.310 nan 0.000 0.526 64 D N 1.496 121.933 120.400 0.062 0.000 2.387 64 D HA 0.439 5.083 4.640 0.007 0.000 0.251 64 D C 0.119 176.479 176.300 0.099 0.000 1.141 64 D CA -0.154 53.927 54.000 0.135 0.000 0.987 64 D CB 1.500 42.462 40.800 0.270 0.000 1.116 64 D HN 0.145 nan 8.370 nan 0.000 0.491 65 V N -2.479 117.495 119.914 0.099 0.000 2.962 65 V HA 0.590 4.714 4.120 0.007 0.000 0.313 65 V C -0.473 175.632 176.094 0.018 0.000 1.099 65 V CA -0.932 61.396 62.300 0.047 0.000 0.971 65 V CB 1.824 33.667 31.823 0.033 0.000 1.028 65 V HN 0.198 nan 8.190 nan 0.000 0.430 66 V N 3.539 123.460 119.914 0.012 0.000 2.364 66 V HA 0.436 4.560 4.120 0.007 0.000 0.272 66 V C -0.007 176.092 176.094 0.008 0.000 1.036 66 V CA -0.311 61.993 62.300 0.006 0.000 0.880 66 V CB 1.420 33.260 31.823 0.030 0.000 0.991 66 V HN 0.759 nan 8.190 nan 0.000 0.460 67 V N 5.257 125.165 119.914 -0.010 0.000 2.347 67 V HA 0.757 4.882 4.120 0.007 0.000 0.280 67 V C 0.467 176.579 176.094 0.030 0.000 1.021 67 V CA -0.318 61.975 62.300 -0.011 0.000 0.847 67 V CB 1.282 33.063 31.823 -0.071 0.000 0.990 67 V HN 0.955 nan 8.190 nan 0.000 0.444 68 A N 3.384 126.236 122.820 0.053 0.000 2.330 68 A HA 0.817 5.141 4.320 0.007 0.000 0.329 68 A C 1.054 178.685 177.584 0.078 0.000 1.135 68 A CA -0.052 52.035 52.037 0.085 0.000 0.817 68 A CB 1.181 20.238 19.000 0.095 0.000 1.269 68 A HN 1.996 nan 8.150 nan 0.000 0.469 69 G N -0.202 108.650 108.800 0.086 0.000 2.198 69 G HA2 -0.207 3.758 3.960 0.007 0.000 0.260 69 G HA3 -0.207 3.758 3.960 0.007 0.000 0.260 69 G C 0.043 175.011 174.900 0.114 0.000 1.025 69 G CA 0.776 45.920 45.100 0.073 0.000 0.769 69 G HN 1.054 nan 8.290 nan 0.000 0.507 70 E N -1.430 118.878 120.200 0.180 0.000 2.214 70 E HA 0.726 5.081 4.350 0.007 0.000 0.274 70 E C 0.547 177.425 176.600 0.464 0.000 0.977 70 E CA -1.003 55.528 56.400 0.219 0.000 0.827 70 E CB 0.684 30.410 29.700 0.043 0.000 1.130 70 E HN 0.224 nan 8.360 nan 0.000 0.394 71 F N 2.237 122.337 119.950 0.249 0.000 2.268 71 F HA 0.265 4.797 4.527 0.008 0.000 0.262 71 F C -0.125 175.878 175.800 0.340 0.000 0.910 71 F CA -0.088 58.081 58.000 0.281 0.000 1.142 71 F CB 0.526 39.589 39.000 0.105 0.000 1.229 71 F HN 0.405 nan 8.300 nan 0.000 0.781 72 D N 1.578 121.940 120.400 -0.064 0.000 2.412 72 D HA 0.165 4.809 4.640 0.007 0.000 0.224 72 D C 0.292 176.514 176.300 -0.129 0.000 1.093 72 D CA 0.045 53.926 54.000 -0.199 0.000 0.850 72 D CB 1.489 42.254 40.800 -0.058 0.000 1.046 72 D HN 0.454 nan 8.370 nan 0.000 0.507 73 Q N 1.808 121.468 119.800 -0.234 0.000 2.488 73 Q HA 0.027 4.371 4.340 0.007 0.000 0.211 73 Q C 1.553 177.441 176.000 -0.187 0.000 0.967 73 Q CA 0.494 56.112 55.803 -0.310 0.000 0.926 73 Q CB 0.474 28.883 28.738 -0.549 0.000 0.992 73 Q HN 0.531 nan 8.270 nan 0.000 0.506 74 G N 0.124 108.845 108.800 -0.132 0.000 2.939 74 G HA2 -0.030 3.934 3.960 0.007 0.000 0.210 74 G HA3 -0.030 3.934 3.960 0.007 0.000 0.210 74 G C 0.335 175.205 174.900 -0.050 0.000 1.160 74 G CA -0.166 44.884 45.100 -0.083 0.000 0.770 74 G HN 0.138 nan 8.290 nan 0.000 0.543 75 S N -0.116 115.559 115.700 -0.042 0.000 2.499 75 S HA 0.458 4.932 4.470 0.007 0.000 0.279 75 S C 1.271 175.862 174.600 -0.016 0.000 1.219 75 S CA -0.349 57.845 58.200 -0.010 0.000 1.062 75 S CB 1.482 64.696 63.200 0.023 0.000 0.978 75 S HN 0.064 nan 8.310 nan 0.000 0.489 76 S N 2.938 118.633 115.700 -0.009 0.000 2.470 76 S HA -0.023 4.451 4.470 0.007 0.000 0.222 76 S C 1.935 176.534 174.600 -0.001 0.000 1.024 76 S CA 0.686 58.880 58.200 -0.009 0.000 0.931 76 S CB -0.005 63.190 63.200 -0.008 0.000 0.791 76 S HN 0.905 nan 8.310 nan 0.000 0.513 77 S N 1.136 116.840 115.700 0.007 0.000 2.527 77 S HA 0.095 4.570 4.470 0.007 0.000 0.222 77 S C 0.457 175.067 174.600 0.017 0.000 0.985 77 S CA -0.091 58.116 58.200 0.011 0.000 0.921 77 S CB -0.305 62.902 63.200 0.012 0.000 0.772 77 S HN 0.512 nan 8.310 nan 0.000 0.529 78 E N 2.137 122.351 120.200 0.023 0.000 2.415 78 E HA 0.039 4.394 4.350 0.007 0.000 0.263 78 E C -0.694 175.923 176.600 0.027 0.000 0.995 78 E CA 0.031 56.453 56.400 0.037 0.000 0.915 78 E CB 0.416 30.151 29.700 0.057 0.000 0.951 78 E HN 0.353 nan 8.360 nan 0.000 0.449 79 K N 5.508 125.925 120.400 0.029 0.000 2.349 79 K HA 0.271 4.596 4.320 0.007 0.000 0.288 79 K C 0.095 176.713 176.600 0.030 0.000 1.058 79 K CA 0.039 56.340 56.287 0.024 0.000 0.953 79 K CB 0.302 32.814 32.500 0.020 0.000 0.997 79 K HN 0.425 nan 8.250 nan 0.000 0.477 80 I N -1.225 119.360 120.570 0.024 0.000 3.279 80 I HA 0.325 4.500 4.170 0.007 0.000 0.315 80 I C -1.360 174.773 176.117 0.026 0.000 1.187 80 I CA -1.328 59.989 61.300 0.027 0.000 0.953 80 I CB 2.183 40.192 38.000 0.014 0.000 1.279 80 I HN 0.381 nan 8.210 nan 0.000 0.465 81 Q N 2.296 122.116 119.800 0.033 0.000 2.357 81 Q HA 0.366 4.710 4.340 0.007 0.000 0.266 81 Q C -1.131 174.885 176.000 0.028 0.000 1.021 81 Q CA -0.703 55.122 55.803 0.036 0.000 0.784 81 Q CB 2.553 31.325 28.738 0.056 0.000 1.243 81 Q HN 0.423 nan 8.270 nan 0.000 0.465 82 K N 4.728 125.138 120.400 0.018 0.000 2.263 82 K HA 0.331 4.655 4.320 0.007 0.000 0.282 82 K C -1.161 175.449 176.600 0.017 0.000 1.089 82 K CA -0.236 56.058 56.287 0.012 0.000 0.907 82 K CB 0.284 32.788 32.500 0.005 0.000 1.148 82 K HN 0.547 nan 8.250 nan 0.000 0.470 83 L N 4.635 125.870 121.223 0.020 0.000 2.296 83 L HA 0.415 4.759 4.340 0.007 0.000 0.286 83 L C 0.085 176.961 176.870 0.010 0.000 1.023 83 L CA -0.927 53.924 54.840 0.018 0.000 0.812 83 L CB 1.514 43.589 42.059 0.028 0.000 1.223 83 L HN 0.457 nan 8.230 nan 0.000 0.421 84 K N 3.029 123.431 120.400 0.003 0.000 2.202 84 K HA 0.462 4.786 4.320 0.007 0.000 0.264 84 K C -0.592 176.001 176.600 -0.013 0.000 1.010 84 K CA -0.276 56.010 56.287 -0.001 0.000 0.940 84 K CB 1.179 33.676 32.500 -0.004 0.000 0.983 84 K HN 0.446 nan 8.250 nan 0.000 0.475 85 I N 2.323 122.887 120.570 -0.010 0.000 2.321 85 I HA 0.083 4.257 4.170 0.007 0.000 0.291 85 I C 0.921 177.016 176.117 -0.037 0.000 0.998 85 I CA -0.150 61.135 61.300 -0.025 0.000 1.227 85 I CB 1.718 39.718 38.000 0.000 0.000 1.368 85 I HN 0.787 nan 8.210 nan 0.000 0.466 86 A N 6.235 129.017 122.820 -0.064 0.000 1.874 86 A HA 0.056 4.381 4.320 0.007 0.000 0.214 86 A C 0.958 178.510 177.584 -0.054 0.000 1.189 86 A CA 1.167 53.170 52.037 -0.057 0.000 0.615 86 A CB 0.180 19.137 19.000 -0.071 0.000 0.830 86 A HN 0.702 nan 8.150 nan 0.000 0.443 87 K N -1.327 119.039 120.400 -0.057 0.000 2.546 87 K HA 0.546 4.870 4.320 0.007 0.000 0.264 87 K C -2.058 174.493 176.600 -0.082 0.000 0.937 87 K CA -0.578 55.646 56.287 -0.104 0.000 0.833 87 K CB 2.292 34.711 32.500 -0.135 0.000 1.378 87 K HN -0.028 nan 8.250 nan 0.000 0.432 88 V N 3.907 123.709 119.914 -0.187 0.000 2.398 88 V HA 0.476 4.600 4.120 0.007 0.000 0.286 88 V C -1.070 174.918 176.094 -0.177 0.000 1.026 88 V CA -0.543 61.730 62.300 -0.046 0.000 0.868 88 V CB 0.968 32.782 31.823 -0.013 0.000 0.982 88 V HN 0.571 nan 8.190 nan 0.000 0.443 89 F N 3.971 124.043 119.950 0.204 0.000 2.363 89 F HA 0.440 4.971 4.527 0.007 0.000 0.366 89 F C 0.417 176.450 175.800 0.388 0.000 1.083 89 F CA -0.614 57.565 58.000 0.297 0.000 1.176 89 F CB 1.031 40.240 39.000 0.349 0.000 1.432 89 F HN 0.326 nan 8.300 nan 0.000 0.482 90 K N 2.423 123.031 120.400 0.346 0.000 2.276 90 K HA 0.131 4.456 4.320 0.007 0.000 0.283 90 K C 0.277 177.005 176.600 0.213 0.000 1.044 90 K CA -0.569 55.848 56.287 0.216 0.000 0.944 90 K CB 0.576 33.123 32.500 0.078 0.000 1.012 90 K HN 0.394 nan 8.250 nan 0.000 0.472 91 N N 2.345 120.984 118.700 -0.102 0.000 2.440 91 N HA -0.089 4.655 4.740 0.007 0.000 0.265 91 N C 0.703 176.148 175.510 -0.109 0.000 1.239 91 N CA 0.396 53.172 53.050 -0.455 0.000 0.909 91 N CB 0.917 38.742 38.487 -1.104 0.000 1.066 91 N HN 0.715 nan 8.380 nan 0.000 0.474 92 S N 3.481 119.190 115.700 0.015 0.000 2.500 92 S HA -0.075 4.400 4.470 0.007 0.000 0.239 92 S C 1.135 175.745 174.600 0.017 0.000 0.989 92 S CA 0.835 59.070 58.200 0.057 0.000 0.951 92 S CB -0.015 63.243 63.200 0.098 0.000 0.759 92 S HN 0.626 nan 8.310 nan 0.000 0.523 93 K N 0.016 120.385 120.400 -0.050 0.000 2.459 93 K HA 0.100 4.424 4.320 0.007 0.000 0.193 93 K C 0.016 176.603 176.600 -0.022 0.000 1.030 93 K CA -0.193 56.065 56.287 -0.048 0.000 1.026 93 K CB -0.130 32.319 32.500 -0.086 0.000 0.809 93 K HN 0.522 nan 8.250 nan 0.000 0.504 94 Y N 3.049 123.277 120.300 -0.120 0.000 2.729 94 Y HA -0.094 4.460 4.550 0.007 0.000 0.331 94 Y C 0.022 175.889 175.900 -0.054 0.000 1.208 94 Y CA -0.406 57.643 58.100 -0.085 0.000 1.521 94 Y CB -0.010 38.408 38.460 -0.071 0.000 1.233 94 Y HN -0.041 nan 8.280 nan 0.000 0.539 95 N N 4.014 122.329 118.700 -0.642 0.000 2.462 95 N HA 0.018 4.763 4.740 0.007 0.000 0.242 95 N C 0.478 175.432 175.510 -0.927 0.000 1.010 95 N CA 0.434 53.142 53.050 -0.571 0.000 0.939 95 N CB 1.055 39.354 38.487 -0.314 0.000 1.127 95 N HN 0.789 nan 8.380 nan 0.000 0.509 96 S N 3.122 118.384 115.700 -0.729 0.000 2.547 96 S HA -0.016 4.458 4.470 0.007 0.000 0.235 96 S C 1.599 176.019 174.600 -0.299 0.000 0.980 96 S CA 0.409 58.309 58.200 -0.500 0.000 0.941 96 S CB -0.044 63.061 63.200 -0.159 0.000 0.763 96 S HN 0.592 nan 8.310 nan 0.000 0.532 97 L N 1.036 122.085 121.223 -0.290 0.000 2.362 97 L HA 0.123 4.468 4.340 0.007 0.000 0.204 97 L C 2.884 179.601 176.870 -0.255 0.000 1.060 97 L CA 1.158 55.867 54.840 -0.218 0.000 0.827 97 L CB -0.726 41.235 42.059 -0.162 0.000 1.027 97 L HN 0.495 nan 8.230 nan 0.000 0.474 98 T N -3.162 111.232 114.554 -0.267 0.000 3.057 98 T HA 0.181 4.536 4.350 0.007 0.000 0.254 98 T C 1.201 175.714 174.700 -0.311 0.000 1.094 98 T CA 0.214 62.160 62.100 -0.258 0.000 1.088 98 T CB 0.188 68.956 68.868 -0.167 0.000 0.934 98 T HN 0.242 nan 8.240 nan 0.000 0.497 99 I N -0.339 120.035 120.570 -0.327 0.000 5.538 99 I HA -0.225 3.949 4.170 0.007 0.000 0.130 99 I C 0.105 176.226 176.117 0.007 0.000 1.814 99 I CA 0.097 61.277 61.300 -0.201 0.000 2.037 99 I CB -2.610 35.202 38.000 -0.315 0.000 3.356 99 I HN 0.309 nan 8.210 nan 0.000 0.169 100 N N 2.678 121.341 118.700 -0.062 0.000 2.503 100 N HA 0.239 4.983 4.740 0.007 0.000 0.267 100 N C 0.576 176.128 175.510 0.069 0.000 1.214 100 N CA 0.564 53.636 53.050 0.035 0.000 0.959 100 N CB 0.374 38.860 38.487 -0.002 0.000 1.142 100 N HN 0.253 nan 8.380 nan 0.000 0.455 101 N N 0.730 119.486 118.700 0.093 0.000 2.758 101 N HA -0.212 4.532 4.740 0.007 0.000 0.248 101 N C -1.323 174.283 175.510 0.160 0.000 1.076 101 N CA 0.434 53.519 53.050 0.058 0.000 0.696 101 N CB -1.218 37.261 38.487 -0.013 0.000 0.979 101 N HN 0.642 nan 8.380 nan 0.000 0.550 102 D N 1.292 121.825 120.400 0.221 0.000 2.608 102 D HA 0.379 5.023 4.640 0.007 0.000 0.224 102 D C 0.035 176.347 176.300 0.019 0.000 1.123 102 D CA 0.092 54.217 54.000 0.208 0.000 1.030 102 D CB -0.251 40.743 40.800 0.324 0.000 1.093 102 D HN 0.510 nan 8.370 nan 0.000 0.497 103 I N 0.568 121.080 120.570 -0.097 0.000 2.722 103 I HA 0.400 4.574 4.170 0.007 0.000 0.295 103 I C -1.214 174.843 176.117 -0.100 0.000 1.161 103 I CA -0.317 60.934 61.300 -0.080 0.000 1.032 103 I CB 2.209 40.182 38.000 -0.045 0.000 1.244 103 I HN -0.083 nan 8.210 nan 0.000 0.421 104 T N 6.949 121.560 114.554 0.094 0.000 2.933 104 T HA 0.551 4.906 4.350 0.007 0.000 0.305 104 T C -1.001 173.936 174.700 0.393 0.000 1.092 104 T CA -0.459 61.788 62.100 0.246 0.000 1.008 104 T CB 1.789 70.721 68.868 0.106 0.000 1.102 104 T HN 0.340 nan 8.240 nan 0.000 0.469 105 L N 3.027 124.586 121.223 0.560 0.000 2.334 105 L HA 0.659 5.004 4.340 0.007 0.000 0.276 105 L C -0.907 176.258 176.870 0.492 0.000 1.014 105 L CA -0.972 54.172 54.840 0.507 0.000 0.815 105 L CB 1.425 43.762 42.059 0.464 0.000 1.268 105 L HN 0.376 nan 8.230 nan 0.000 0.428 106 L N 3.457 124.893 121.223 0.355 0.000 2.325 106 L HA 0.489 4.833 4.340 0.007 0.000 0.281 106 L C -0.311 176.502 176.870 -0.094 0.000 1.004 106 L CA -0.546 54.398 54.840 0.174 0.000 0.823 106 L CB 1.746 43.872 42.059 0.112 0.000 1.236 106 L HN 0.498 nan 8.230 nan 0.000 0.415 107 K N 4.466 124.668 120.400 -0.329 0.000 2.234 107 K HA 0.514 4.839 4.320 0.007 0.000 0.277 107 K C -0.662 175.693 176.600 -0.409 0.000 1.038 107 K CA -0.569 55.187 56.287 -0.884 0.000 0.888 107 K CB 0.862 32.786 32.500 -0.960 0.000 1.091 107 K HN 0.541 nan 8.250 nan 0.000 0.467 108 L N 3.052 124.056 121.223 -0.365 0.000 2.439 108 L HA 0.070 4.415 4.340 0.007 0.000 0.269 108 L C 1.425 178.210 176.870 -0.142 0.000 1.179 108 L CA -0.300 54.437 54.840 -0.173 0.000 0.828 108 L CB 1.359 43.356 42.059 -0.103 0.000 1.106 108 L HN 0.792 nan 8.230 nan 0.000 0.467 109 S N -0.016 115.636 115.700 -0.080 0.000 2.371 109 S HA -0.047 4.428 4.470 0.007 0.000 0.224 109 S C 0.608 175.182 174.600 -0.044 0.000 1.029 109 S CA 0.934 59.100 58.200 -0.056 0.000 0.978 109 S CB 0.099 63.279 63.200 -0.033 0.000 0.833 109 S HN 0.758 nan 8.310 nan 0.000 0.466 110 T N 1.704 116.237 114.554 -0.034 0.000 2.861 110 T HA 0.676 5.030 4.350 0.007 0.000 0.287 110 T C -0.276 174.414 174.700 -0.018 0.000 1.003 110 T CA -0.629 61.459 62.100 -0.021 0.000 0.977 110 T CB 1.765 70.629 68.868 -0.007 0.000 0.996 110 T HN 0.285 nan 8.240 nan 0.000 0.448 111 A N 2.229 125.038 122.820 -0.018 0.000 2.448 111 A HA 0.666 4.991 4.320 0.007 0.000 0.239 111 A C 0.692 178.290 177.584 0.024 0.000 1.080 111 A CA -0.434 51.597 52.037 -0.011 0.000 0.779 111 A CB -0.148 18.830 19.000 -0.036 0.000 1.026 111 A HN 1.079 nan 8.150 nan 0.000 0.499 112 A N 1.142 124.004 122.820 0.070 0.000 2.354 112 A HA 0.521 4.846 4.320 0.007 0.000 0.269 112 A C 0.623 178.303 177.584 0.161 0.000 1.109 112 A CA 0.240 52.368 52.037 0.152 0.000 0.800 112 A CB 0.210 19.378 19.000 0.279 0.000 1.045 112 A HN 1.347 nan 8.150 nan 0.000 0.489 113 S N 2.762 118.564 115.700 0.169 0.000 2.409 113 S HA 0.479 4.953 4.470 0.007 0.000 0.308 113 S C -0.350 174.437 174.600 0.311 0.000 1.080 113 S CA -0.573 57.724 58.200 0.161 0.000 1.081 113 S CB -0.847 62.412 63.200 0.098 0.000 1.009 113 S HN 0.359 nan 8.310 nan 0.000 0.502 114 F N 3.866 123.845 119.950 0.047 0.000 2.602 114 F HA 0.322 4.854 4.527 0.008 0.000 0.367 114 F C 1.425 177.248 175.800 0.038 0.000 1.126 114 F CA -0.251 57.780 58.000 0.052 0.000 1.321 114 F CB 0.347 39.385 39.000 0.062 0.000 1.094 114 F HN 0.733 nan 8.300 nan 0.000 0.594 115 S N 1.483 117.270 115.700 0.146 0.000 2.755 115 S HA 0.201 4.675 4.470 0.007 0.000 0.286 115 S C 0.526 175.129 174.600 0.005 0.000 1.207 115 S CA -0.680 57.564 58.200 0.073 0.000 0.892 115 S CB 1.423 64.657 63.200 0.058 0.000 1.240 115 S HN 0.557 nan 8.310 nan 0.000 0.525 116 Q N 0.480 120.274 119.800 -0.009 0.000 2.135 116 Q HA -0.131 4.213 4.340 0.007 0.000 0.204 116 Q C 1.435 177.384 176.000 -0.085 0.000 0.981 116 Q CA 2.294 58.071 55.803 -0.044 0.000 0.856 116 Q CB -0.479 28.233 28.738 -0.044 0.000 0.902 116 Q HN 0.918 nan 8.270 nan 0.000 0.425 117 T N -3.517 110.993 114.554 -0.073 0.000 3.092 117 T HA 0.350 4.705 4.350 0.007 0.000 0.258 117 T C -0.109 174.533 174.700 -0.097 0.000 1.031 117 T CA -0.388 61.654 62.100 -0.096 0.000 0.925 117 T CB 0.842 69.675 68.868 -0.058 0.000 1.036 117 T HN -0.037 nan 8.240 nan 0.000 0.544 118 V N 2.382 122.233 119.914 -0.105 0.000 2.532 118 V HA 0.731 4.855 4.120 0.007 0.000 0.294 118 V C -0.564 175.288 176.094 -0.403 0.000 1.036 118 V CA -0.500 61.715 62.300 -0.142 0.000 0.876 118 V CB 1.385 33.203 31.823 -0.008 0.000 1.012 118 V HN 0.695 nan 8.190 nan 0.000 0.432 119 S N 3.234 118.599 115.700 -0.558 0.000 2.672 119 S HA 0.946 5.420 4.470 0.007 0.000 0.271 119 S C -0.524 173.775 174.600 -0.501 0.000 1.171 119 S CA -0.322 57.241 58.200 -1.062 0.000 0.817 119 S CB 1.852 64.777 63.200 -0.459 0.000 1.150 119 S HN 1.363 nan 8.310 nan 0.000 0.478 120 A N 0.130 122.777 122.820 -0.289 0.000 2.282 120 A HA 0.844 5.168 4.320 0.007 0.000 0.319 120 A C -0.178 177.542 177.584 0.226 0.000 1.121 120 A CA -0.776 51.355 52.037 0.158 0.000 0.836 120 A CB 1.084 20.269 19.000 0.307 0.000 1.146 120 A HN 1.423 nan 8.150 nan 0.000 0.494 121 V N 0.650 120.565 119.914 0.001 0.000 2.716 121 V HA 0.420 4.544 4.120 0.007 0.000 0.304 121 V C 0.135 176.095 176.094 -0.223 0.000 1.053 121 V CA -0.661 61.326 62.300 -0.522 0.000 0.984 121 V CB 1.070 32.257 31.823 -1.060 0.000 1.021 121 V HN 1.049 nan 8.190 nan 0.000 0.467 122 c N 5.761 124.237 118.600 -0.207 0.000 2.520 122 c HA 0.497 5.072 4.570 0.007 0.000 0.376 122 c C 0.209 174.252 174.090 -0.079 0.000 1.268 122 c CA -0.727 55.556 56.329 -0.077 0.000 2.414 122 c CB 0.003 42.495 42.510 -0.030 0.000 2.521 122 c HN 0.742 nan 8.230 nan 0.000 0.618 123 L N 3.901 125.106 121.223 -0.030 0.000 2.331 123 L HA 0.507 4.851 4.340 0.007 0.000 0.275 123 L C -1.757 175.128 176.870 0.024 0.000 1.022 123 L CA -1.212 53.619 54.840 -0.014 0.000 0.812 123 L CB 1.522 43.573 42.059 -0.013 0.000 1.257 123 L HN 0.522 nan 8.230 nan 0.000 0.435 124 P HA 0.283 nan 4.420 nan 0.000 0.284 124 P C -1.022 176.328 177.300 0.083 0.000 1.292 124 P CA -0.542 62.634 63.100 0.126 0.000 0.800 124 P CB 1.314 33.168 31.700 0.258 0.000 1.188 125 S N -0.609 115.136 115.700 0.076 0.000 2.578 125 S HA 0.393 4.867 4.470 0.007 0.000 0.283 125 S C 1.447 176.080 174.600 0.055 0.000 1.195 125 S CA -0.136 58.088 58.200 0.041 0.000 1.050 125 S CB 1.191 64.398 63.200 0.011 0.000 1.012 125 S HN 0.572 nan 8.310 nan 0.000 0.511 126 A N 2.157 125.004 122.820 0.045 0.000 2.032 126 A HA -0.131 4.194 4.320 0.007 0.000 0.221 126 A C 2.075 179.684 177.584 0.042 0.000 1.165 126 A CA 2.037 54.106 52.037 0.053 0.000 0.645 126 A CB -0.784 18.243 19.000 0.045 0.000 0.807 126 A HN 0.856 nan 8.150 nan 0.000 0.453 127 S N -0.713 114.998 115.700 0.018 0.000 2.524 127 S HA 0.054 4.528 4.470 0.007 0.000 0.216 127 S C 0.191 174.771 174.600 -0.034 0.000 0.987 127 S CA -0.217 57.981 58.200 -0.003 0.000 0.909 127 S CB -0.228 62.963 63.200 -0.014 0.000 0.781 127 S HN 0.438 nan 8.310 nan 0.000 0.521 128 D N 2.882 123.258 120.400 -0.040 0.000 2.478 128 D HA 0.197 4.842 4.640 0.007 0.000 0.234 128 D C -0.629 175.552 176.300 -0.200 0.000 1.154 128 D CA 0.897 54.797 54.000 -0.165 0.000 0.874 128 D CB 0.672 41.380 40.800 -0.154 0.000 1.198 128 D HN 0.448 nan 8.370 nan 0.000 0.455 129 D N 0.965 121.138 120.400 -0.378 0.000 2.505 129 D HA 0.235 4.880 4.640 0.007 0.000 0.250 129 D C -1.388 174.661 176.300 -0.417 0.000 1.164 129 D CA -0.561 53.287 54.000 -0.253 0.000 0.870 129 D CB 0.226 40.943 40.800 -0.138 0.000 1.160 129 D HN 0.038 nan 8.370 nan 0.000 0.549 130 F N 2.882 122.822 119.950 -0.017 0.000 2.313 130 F HA 0.546 5.077 4.527 0.008 0.000 0.369 130 F C 1.001 176.790 175.800 -0.019 0.000 1.109 130 F CA -0.903 57.084 58.000 -0.022 0.000 1.132 130 F CB 1.160 40.144 39.000 -0.027 0.000 1.291 130 F HN 0.395 nan 8.300 nan 0.000 0.496 131 A N 2.434 125.303 122.820 0.080 0.000 2.520 131 A HA 0.542 4.866 4.320 0.007 0.000 0.235 131 A C 0.531 178.151 177.584 0.061 0.000 1.065 131 A CA -0.127 51.940 52.037 0.051 0.000 0.764 131 A CB -0.035 18.974 19.000 0.016 0.000 1.002 131 A HN 0.880 nan 8.150 nan 0.000 0.502 132 A N 0.620 123.465 122.820 0.042 0.000 2.483 132 A HA 0.503 4.827 4.320 0.007 0.000 0.238 132 A C 1.668 179.268 177.584 0.027 0.000 1.070 132 A CA 0.786 52.843 52.037 0.033 0.000 0.770 132 A CB -0.531 18.485 19.000 0.028 0.000 1.008 132 A HN 2.768 nan 8.150 nan 0.000 0.497 133 G N 0.886 109.698 108.800 0.021 0.000 2.241 133 G HA2 -0.225 3.739 3.960 0.007 0.000 0.244 133 G HA3 -0.225 3.739 3.960 0.007 0.000 0.244 133 G C 0.545 175.458 174.900 0.021 0.000 0.998 133 G CA 0.488 45.598 45.100 0.017 0.000 0.621 133 G HN 1.291 nan 8.290 nan 0.000 0.519 134 T N 2.751 117.325 114.554 0.032 0.000 2.871 134 T HA 0.416 4.770 4.350 0.007 0.000 0.296 134 T C 0.645 175.364 174.700 0.031 0.000 0.998 134 T CA 1.058 63.184 62.100 0.042 0.000 1.162 134 T CB 0.912 69.829 68.868 0.082 0.000 0.947 134 T HN 0.280 nan 8.240 nan 0.000 0.536 135 T N 4.551 119.128 114.554 0.037 0.000 2.737 135 T HA 0.318 4.673 4.350 0.007 0.000 0.296 135 T C 0.411 175.154 174.700 0.073 0.000 0.922 135 T CA -0.507 61.620 62.100 0.046 0.000 1.079 135 T CB -0.228 68.674 68.868 0.057 0.000 0.892 135 T HN 0.693 nan 8.240 nan 0.000 0.514 136 c N 2.953 121.584 118.600 0.051 0.000 2.803 136 c HA 0.879 5.454 4.570 0.007 0.000 0.389 136 c C -0.015 174.120 174.090 0.075 0.000 1.433 136 c CA -0.681 55.699 56.329 0.085 0.000 1.714 136 c CB 1.571 44.057 42.510 -0.040 0.000 2.106 136 c HN 0.590 nan 8.230 nan 0.000 0.480 137 V N 0.392 120.327 119.914 0.036 0.000 2.760 137 V HA 0.674 4.798 4.120 0.007 0.000 0.309 137 V C -0.279 175.645 176.094 -0.284 0.000 1.077 137 V CA -0.123 62.098 62.300 -0.131 0.000 0.910 137 V CB 1.924 33.612 31.823 -0.224 0.000 1.008 137 V HN 0.973 nan 8.190 nan 0.000 0.424 138 T N 2.565 116.951 114.554 -0.280 0.000 2.908 138 T HA 0.836 5.190 4.350 0.007 0.000 0.290 138 T C -0.429 174.044 174.700 -0.378 0.000 1.034 138 T CA 0.032 61.976 62.100 -0.260 0.000 1.010 138 T CB 1.640 70.469 68.868 -0.065 0.000 1.068 138 T HN 1.074 nan 8.240 nan 0.000 0.481 139 T N 0.068 114.384 114.554 -0.396 0.000 2.883 139 T HA 0.914 5.269 4.350 0.007 0.000 0.296 139 T C -0.063 174.433 174.700 -0.339 0.000 1.117 139 T CA -0.295 61.513 62.100 -0.486 0.000 1.006 139 T CB 1.599 69.973 68.868 -0.823 0.000 1.191 139 T HN 1.243 nan 8.240 nan 0.000 0.508 140 G N -0.572 107.976 108.800 -0.421 0.000 2.321 140 G HA2 0.350 4.315 3.960 0.007 0.000 0.298 140 G HA3 0.350 4.315 3.960 0.007 0.000 0.298 140 G C -1.382 173.281 174.900 -0.395 0.000 1.385 140 G CA -0.827 44.073 45.100 -0.333 0.000 0.856 140 G HN 0.694 nan 8.290 nan 0.000 0.584 141 W N 1.273 122.474 121.300 -0.166 0.000 3.015 141 W HA 0.414 5.077 4.660 0.006 0.000 0.429 141 W C 1.054 177.450 176.519 -0.205 0.000 0.976 141 W CA -0.169 57.010 57.345 -0.277 0.000 2.086 141 W CB 0.926 30.045 29.460 -0.567 0.000 1.125 141 W HN 0.825 nan 8.180 nan 0.000 0.721 142 G N 0.804 109.650 108.800 0.077 0.000 2.634 142 G HA2 0.336 4.301 3.960 0.007 0.000 0.255 142 G HA3 0.336 4.301 3.960 0.007 0.000 0.255 142 G C 0.090 175.022 174.900 0.054 0.000 1.205 142 G CA -0.683 44.469 45.100 0.088 0.000 0.884 142 G HN -0.018 nan 8.290 nan 0.000 0.549 143 L N -0.174 121.091 121.223 0.070 0.000 2.554 143 L HA 0.011 4.355 4.340 0.007 0.000 0.293 143 L C 1.958 178.857 176.870 0.048 0.000 1.252 143 L CA 0.614 55.490 54.840 0.059 0.000 0.862 143 L CB 0.476 42.585 42.059 0.084 0.000 1.113 143 L HN 0.798 nan 8.230 nan 0.000 0.510 144 T N -1.113 113.462 114.554 0.035 0.000 3.069 144 T HA 0.150 4.505 4.350 0.007 0.000 0.252 144 T C 0.391 175.118 174.700 0.045 0.000 1.053 144 T CA -0.405 61.712 62.100 0.028 0.000 0.964 144 T CB 0.037 68.911 68.868 0.011 0.000 1.005 144 T HN 0.731 nan 8.240 nan 0.000 0.532 145 R N -0.420 120.116 120.500 0.060 0.000 2.515 145 R HA 0.489 4.834 4.340 0.007 0.000 0.278 145 R C -1.309 175.057 176.300 0.110 0.000 1.107 145 R CA -1.019 55.129 56.100 0.080 0.000 0.945 145 R CB 0.599 30.928 30.300 0.048 0.000 1.219 145 R HN 0.078 nan 8.270 nan 0.000 0.434 150 N N 0.525 119.231 118.700 0.010 0.000 2.459 150 N HA 0.745 5.490 4.740 0.007 0.000 0.288 150 N C 0.394 175.909 175.510 0.007 0.000 1.186 150 N CA 0.560 53.621 53.050 0.019 0.000 0.917 150 N CB 1.525 40.022 38.487 0.016 0.000 1.219 150 N HN 0.908 nan 8.380 nan 0.000 0.525 151 T N -0.436 114.115 114.554 -0.005 0.000 2.898 151 T HA 0.357 4.711 4.350 0.007 0.000 0.301 151 T C -2.264 172.421 174.700 -0.024 0.000 1.049 151 T CA -1.098 60.992 62.100 -0.016 0.000 1.095 151 T CB 0.621 69.454 68.868 -0.059 0.000 0.976 151 T HN 0.424 nan 8.240 nan 0.000 0.539 152 P HA 0.277 nan 4.420 nan 0.000 0.275 152 P C -0.063 177.237 177.300 -0.000 0.000 1.228 152 P CA -0.343 62.752 63.100 -0.008 0.000 0.786 152 P CB 0.827 32.521 31.700 -0.010 0.000 0.927 153 D N 1.271 121.645 120.400 -0.043 0.000 2.144 153 D HA -0.047 4.597 4.640 0.007 0.000 0.200 153 D C 0.728 176.988 176.300 -0.067 0.000 0.978 153 D CA 1.338 55.288 54.000 -0.083 0.000 0.833 153 D CB 0.125 40.867 40.800 -0.096 0.000 0.961 153 D HN 0.397 nan 8.370 nan 0.000 0.470 154 R N 0.402 120.818 120.500 -0.140 0.000 2.428 154 R HA 0.337 4.682 4.340 0.007 0.000 0.294 154 R C -0.364 175.739 176.300 -0.327 0.000 1.000 154 R CA -1.094 54.752 56.100 -0.424 0.000 0.960 154 R CB 1.464 31.390 30.300 -0.623 0.000 1.076 154 R HN -0.036 nan 8.270 nan 0.000 0.475 155 L N 2.806 123.718 121.223 -0.519 0.000 2.578 155 L HA -0.095 4.249 4.340 0.007 0.000 0.279 155 L C -0.341 176.296 176.870 -0.389 0.000 1.227 155 L CA 1.165 55.513 54.840 -0.820 0.000 0.900 155 L CB 0.267 41.960 42.059 -0.610 0.000 1.144 155 L HN 0.465 nan 8.230 nan 0.000 0.496 156 Q N 4.502 124.047 119.800 -0.425 0.000 2.248 156 Q HA 0.509 4.854 4.340 0.007 0.000 0.263 156 Q C -0.997 174.860 176.000 -0.238 0.000 1.007 156 Q CA -0.572 55.099 55.803 -0.219 0.000 0.877 156 Q CB 1.996 30.631 28.738 -0.171 0.000 1.315 156 Q HN 0.772 nan 8.270 nan 0.000 0.454 157 Q N -1.013 118.703 119.800 -0.141 0.000 2.456 157 Q HA 0.900 5.245 4.340 0.007 0.000 0.284 157 Q C -1.737 174.201 176.000 -0.104 0.000 1.061 157 Q CA -1.223 54.471 55.803 -0.182 0.000 0.799 157 Q CB 2.268 30.977 28.738 -0.047 0.000 1.445 157 Q HN 0.542 nan 8.270 nan 0.000 0.411 158 A N 1.052 123.796 122.820 -0.126 0.000 2.513 158 A HA 0.644 4.969 4.320 0.007 0.000 0.296 158 A C -1.171 176.382 177.584 -0.050 0.000 1.052 158 A CA -0.689 51.312 52.037 -0.060 0.000 0.714 158 A CB 2.136 21.106 19.000 -0.049 0.000 1.279 158 A HN 0.580 nan 8.150 nan 0.000 0.397 159 S N 1.307 117.007 115.700 -0.001 0.000 2.554 159 S HA 0.804 5.278 4.470 0.007 0.000 0.278 159 S C -0.227 174.377 174.600 0.007 0.000 1.242 159 S CA -0.384 57.830 58.200 0.024 0.000 1.051 159 S CB 0.612 63.850 63.200 0.064 0.000 0.986 159 S HN 1.272 nan 8.310 nan 0.000 0.502 160 L N 0.069 121.292 121.223 -0.001 0.000 2.653 160 L HA 0.753 5.097 4.340 0.007 0.000 0.257 160 L C -3.225 173.633 176.870 -0.019 0.000 0.969 160 L CA -2.306 52.528 54.840 -0.011 0.000 0.869 160 L CB 2.252 44.298 42.059 -0.021 0.000 1.439 160 L HN 0.329 nan 8.230 nan 0.000 0.414 161 P HA 0.364 nan 4.420 nan 0.000 0.286 161 P C -0.902 176.378 177.300 -0.033 0.000 1.261 161 P CA -0.413 62.679 63.100 -0.014 0.000 0.821 161 P CB 1.755 33.455 31.700 -0.001 0.000 1.013 162 L N 2.788 123.992 121.223 -0.032 0.000 2.397 162 L HA 0.314 4.658 4.340 0.007 0.000 0.271 162 L C 0.697 177.562 176.870 -0.008 0.000 1.148 162 L CA -0.522 54.292 54.840 -0.043 0.000 0.825 162 L CB 0.047 42.090 42.059 -0.027 0.000 1.117 162 L HN 0.233 nan 8.230 nan 0.000 0.456 163 L N 1.645 122.867 121.223 -0.001 0.000 2.334 163 L HA 0.427 4.771 4.340 0.007 0.000 0.272 163 L C 0.418 177.307 176.870 0.032 0.000 1.020 163 L CA -0.655 54.197 54.840 0.020 0.000 0.812 163 L CB 1.951 44.028 42.059 0.031 0.000 1.264 163 L HN 0.678 nan 8.230 nan 0.000 0.439 164 S N -0.001 115.721 115.700 0.036 0.000 2.585 164 S HA 0.145 4.620 4.470 0.007 0.000 0.273 164 S C 0.762 175.393 174.600 0.053 0.000 1.339 164 S CA -0.763 57.462 58.200 0.041 0.000 1.028 164 S CB 0.866 64.088 63.200 0.036 0.000 0.906 164 S HN 0.603 nan 8.310 nan 0.000 0.528 165 N N 1.944 120.677 118.700 0.056 0.000 2.104 165 N HA -0.117 4.627 4.740 0.007 0.000 0.190 165 N C 1.640 177.195 175.510 0.075 0.000 1.024 165 N CA 1.830 54.921 53.050 0.069 0.000 0.853 165 N CB -1.020 37.505 38.487 0.064 0.000 1.008 165 N HN 0.744 nan 8.380 nan 0.000 0.424 166 T N 1.097 115.686 114.554 0.059 0.000 2.684 166 T HA -0.140 4.215 4.350 0.007 0.000 0.267 166 T C 1.726 176.462 174.700 0.061 0.000 1.036 166 T CA 1.134 63.268 62.100 0.056 0.000 1.148 166 T CB -0.348 68.544 68.868 0.041 0.000 0.863 166 T HN 0.448 nan 8.240 nan 0.000 0.436 167 N N -0.406 118.328 118.700 0.057 0.000 2.188 167 N HA -0.126 4.618 4.740 0.007 0.000 0.184 167 N C 2.262 177.821 175.510 0.082 0.000 1.018 167 N CA 1.044 54.127 53.050 0.056 0.000 0.858 167 N CB -0.224 38.288 38.487 0.042 0.000 0.989 167 N HN 0.355 nan 8.380 nan 0.000 0.426 168 c N 1.582 120.244 118.600 0.104 0.000 2.436 168 c HA -0.027 4.548 4.570 0.007 0.000 0.277 168 c C 2.320 176.540 174.090 0.216 0.000 1.241 168 c CA 0.920 57.348 56.329 0.166 0.000 1.721 168 c CB -0.941 41.671 42.510 0.170 0.000 2.043 168 c HN 0.443 nan 8.230 nan 0.000 0.472 169 K N 0.320 120.826 120.400 0.177 0.000 2.281 169 K HA -0.145 4.179 4.320 0.007 0.000 0.203 169 K C 1.959 178.631 176.600 0.121 0.000 1.046 169 K CA 1.114 57.505 56.287 0.174 0.000 0.938 169 K CB -0.184 32.393 32.500 0.127 0.000 0.737 169 K HN 0.592 nan 8.250 nan 0.000 0.458 170 K N -0.360 120.097 120.400 0.095 0.000 2.211 170 K HA -0.197 4.127 4.320 0.007 0.000 0.204 170 K C 1.639 178.259 176.600 0.033 0.000 1.047 170 K CA 1.378 57.698 56.287 0.054 0.000 0.935 170 K CB -0.045 32.486 32.500 0.051 0.000 0.728 170 K HN 0.245 nan 8.250 nan 0.000 0.452 171 Y N -1.349 118.897 120.300 -0.089 0.000 2.447 171 Y HA -0.004 4.550 4.550 0.006 0.000 0.286 171 Y C 1.295 177.044 175.900 -0.252 0.000 1.153 171 Y CA 0.437 58.383 58.100 -0.257 0.000 1.241 171 Y CB 0.000 38.188 38.460 -0.453 0.000 1.284 171 Y HN -0.024 nan 8.280 nan 0.000 0.520 172 W N 1.362 122.811 121.300 0.248 0.000 2.905 172 W HA 0.260 4.924 4.660 0.006 0.000 0.251 172 W C 1.764 178.352 176.519 0.116 0.000 1.305 172 W CA 0.828 58.300 57.345 0.211 0.000 1.465 172 W CB -0.392 29.248 29.460 0.301 0.000 1.122 172 W HN 0.459 nan 8.180 nan 0.000 0.659 173 G N 1.424 110.370 108.800 0.242 0.000 2.634 173 G HA2 -0.519 3.445 3.960 0.007 0.000 0.309 173 G HA3 -0.519 3.445 3.960 0.007 0.000 0.309 173 G C 1.055 176.062 174.900 0.177 0.000 1.265 173 G CA 2.033 47.227 45.100 0.157 0.000 0.998 173 G HN 0.307 nan 8.290 nan 0.000 0.551 174 T N -0.827 113.805 114.554 0.129 0.000 3.098 174 T HA 0.089 4.444 4.350 0.007 0.000 0.266 174 T C 1.866 176.640 174.700 0.125 0.000 1.145 174 T CA 1.808 63.972 62.100 0.105 0.000 1.092 174 T CB -0.048 68.858 68.868 0.063 0.000 0.908 174 T HN 0.488 nan 8.240 nan 0.000 0.526 175 K N 0.737 121.253 120.400 0.194 0.000 2.365 175 K HA 0.183 4.507 4.320 0.007 0.000 0.199 175 K C 0.696 177.451 176.600 0.257 0.000 1.045 175 K CA 0.105 56.504 56.287 0.188 0.000 0.962 175 K CB -0.141 32.512 32.500 0.256 0.000 0.759 175 K HN 0.425 nan 8.250 nan 0.000 0.469 176 I N 3.040 123.772 120.570 0.271 0.000 2.396 176 I HA 0.027 4.201 4.170 0.007 0.000 0.289 176 I C 0.614 176.822 176.117 0.153 0.000 1.056 176 I CA -0.190 61.247 61.300 0.229 0.000 1.365 176 I CB 0.330 38.448 38.000 0.197 0.000 1.407 176 I HN -0.161 nan 8.210 nan 0.000 0.509 177 K N 4.541 125.025 120.400 0.141 0.000 2.245 177 K HA 0.237 4.561 4.320 0.007 0.000 0.234 177 K C 0.813 177.461 176.600 0.081 0.000 1.021 177 K CA -0.578 55.764 56.287 0.092 0.000 0.898 177 K CB 0.716 33.259 32.500 0.072 0.000 1.163 177 K HN 0.462 nan 8.250 nan 0.000 0.459 178 D N -0.452 119.985 120.400 0.061 0.000 2.263 178 D HA -0.118 4.526 4.640 0.007 0.000 0.208 178 D C 0.747 177.083 176.300 0.060 0.000 0.971 178 D CA 1.022 55.056 54.000 0.056 0.000 0.867 178 D CB -0.042 40.784 40.800 0.044 0.000 0.929 178 D HN 0.394 nan 8.370 nan 0.000 0.492 179 A N -0.514 122.345 122.820 0.065 0.000 2.577 179 A HA 0.436 4.761 4.320 0.007 0.000 0.280 179 A C 0.322 177.957 177.584 0.086 0.000 1.331 179 A CA -0.485 51.593 52.037 0.069 0.000 0.935 179 A CB -0.413 18.621 19.000 0.057 0.000 1.082 179 A HN 0.168 nan 8.150 nan 0.000 0.525 180 M N -0.270 119.382 119.600 0.087 0.000 2.602 180 M HA 0.637 5.121 4.480 0.007 0.000 0.312 180 M C -0.865 175.472 176.300 0.061 0.000 1.181 180 M CA -0.476 54.874 55.300 0.083 0.000 0.910 180 M CB 2.444 35.103 32.600 0.098 0.000 1.723 180 M HN 0.247 nan 8.290 nan 0.000 0.459 181 I N 0.726 121.327 120.570 0.053 0.000 2.656 181 I HA 0.538 4.712 4.170 0.007 0.000 0.292 181 I C -1.540 174.610 176.117 0.054 0.000 1.144 181 I CA -0.465 60.860 61.300 0.041 0.000 1.038 181 I CB 1.563 39.573 38.000 0.018 0.000 1.244 181 I HN 0.796 nan 8.210 nan 0.000 0.420 182 c N 5.706 124.329 118.600 0.038 0.000 2.470 182 c HA 1.026 5.600 4.570 0.007 0.000 0.341 182 c C 0.197 174.300 174.090 0.022 0.000 1.190 182 c CA -0.312 56.056 56.329 0.065 0.000 1.904 182 c CB 0.779 43.324 42.510 0.058 0.000 2.354 182 c HN 0.874 nan 8.230 nan 0.000 0.509 183 A N 0.937 123.793 122.820 0.060 0.000 2.604 183 A HA 0.939 5.264 4.320 0.007 0.000 0.295 183 A C -0.114 177.501 177.584 0.053 0.000 1.067 183 A CA 0.441 52.463 52.037 -0.025 0.000 0.683 183 A CB 0.857 19.710 19.000 -0.245 0.000 1.281 183 A HN 2.625 nan 8.150 nan 0.000 0.407 184 G N -0.082 108.724 108.800 0.011 0.000 2.501 184 G HA2 0.496 4.460 3.960 0.007 0.000 0.213 184 G HA3 0.496 4.460 3.960 0.007 0.000 0.213 184 G C 0.853 175.751 174.900 -0.003 0.000 1.158 184 G CA 1.614 46.725 45.100 0.018 0.000 1.079 184 G HN 2.693 nan 8.290 nan 0.000 0.586 185 A N -1.950 120.859 122.820 -0.019 0.000 2.860 185 A HA 0.119 4.443 4.320 0.007 0.000 0.267 185 A C 1.545 179.107 177.584 -0.036 0.000 1.421 185 A CA 2.641 54.646 52.037 -0.053 0.000 0.831 185 A CB -2.150 16.806 19.000 -0.073 0.000 1.041 185 A HN 2.632 nan 8.150 nan 0.000 0.623 186 S N -2.450 113.238 115.700 -0.020 0.000 2.754 186 S HA 0.522 4.997 4.470 0.007 0.000 0.247 186 S C 1.595 176.190 174.600 -0.009 0.000 1.031 186 S CA 0.983 59.176 58.200 -0.013 0.000 1.014 186 S CB 0.351 63.547 63.200 -0.005 0.000 0.918 186 S HN 2.441 nan 8.310 nan 0.000 0.519 187 G N 0.434 109.226 108.800 -0.013 0.000 2.184 187 G HA2 -0.172 3.793 3.960 0.007 0.000 0.206 187 G HA3 -0.172 3.793 3.960 0.007 0.000 0.206 187 G C -0.003 174.895 174.900 -0.004 0.000 0.995 187 G CA -0.021 45.075 45.100 -0.008 0.000 0.651 187 G HN 1.603 nan 8.290 nan 0.000 0.511 188 V N -2.536 117.376 119.914 -0.003 0.000 3.102 188 V HA 0.985 5.110 4.120 0.007 0.000 0.312 188 V C -0.249 175.847 176.094 0.004 0.000 1.135 188 V CA -0.185 62.116 62.300 0.001 0.000 1.022 188 V CB 1.921 33.745 31.823 0.001 0.000 1.056 188 V HN 1.453 nan 8.190 nan 0.000 0.436 189 S N 0.865 116.570 115.700 0.008 0.000 2.535 189 S HA 0.627 5.101 4.470 0.007 0.000 0.272 189 S C -0.497 174.110 174.600 0.012 0.000 1.149 189 S CA -0.313 57.894 58.200 0.010 0.000 0.888 189 S CB 1.980 65.181 63.200 0.001 0.000 1.110 189 S HN 1.215 nan 8.310 nan 0.000 0.463 190 S N 1.875 117.576 115.700 0.002 0.000 2.603 190 S HA 0.677 5.152 4.470 0.007 0.000 0.268 190 S C -0.253 174.355 174.600 0.014 0.000 1.317 190 S CA -0.362 57.834 58.200 -0.006 0.000 1.012 190 S CB 0.951 64.110 63.200 -0.068 0.000 0.926 190 S HN 0.856 nan 8.310 nan 0.000 0.539 191 c N 1.798 120.423 118.600 0.042 0.000 3.321 191 c HA 0.467 5.042 4.570 0.007 0.000 0.329 191 c C -1.102 173.054 174.090 0.110 0.000 1.394 191 c CA -0.906 55.475 56.329 0.086 0.000 1.291 191 c CB 0.810 43.384 42.510 0.107 0.000 1.606 191 c HN 0.864 nan 8.230 nan 0.000 0.463 192 M N 2.802 122.489 119.600 0.144 0.000 2.356 192 M HA 0.241 4.726 4.480 0.007 0.000 0.467 192 M C 1.305 177.702 176.300 0.161 0.000 1.544 192 M CA 1.957 57.352 55.300 0.158 0.000 0.831 192 M CB -0.946 31.753 32.600 0.164 0.000 2.044 192 M HN 1.242 nan 8.290 nan 0.000 0.522 193 G N 2.036 110.948 108.800 0.186 0.000 2.253 193 G HA2 -0.194 3.771 3.960 0.007 0.000 0.209 193 G HA3 -0.194 3.771 3.960 0.007 0.000 0.209 193 G C 0.747 175.807 174.900 0.267 0.000 0.997 193 G CA 0.070 45.319 45.100 0.249 0.000 0.640 193 G HN 0.589 nan 8.290 nan 0.000 0.496 194 D N 1.060 121.558 120.400 0.164 0.000 2.289 194 D HA 0.168 4.813 4.640 0.007 0.000 0.207 194 D C 1.503 177.860 176.300 0.095 0.000 0.966 194 D CA 0.806 54.876 54.000 0.115 0.000 0.868 194 D CB 0.010 40.841 40.800 0.051 0.000 0.943 194 D HN 0.344 nan 8.370 nan 0.000 0.514 195 S N -0.706 115.062 115.700 0.114 0.000 2.571 195 S HA 0.222 4.697 4.470 0.007 0.000 0.298 195 S C 1.555 176.175 174.600 0.032 0.000 1.280 195 S CA 0.985 59.257 58.200 0.120 0.000 1.052 195 S CB 0.731 64.096 63.200 0.276 0.000 0.799 195 S HN 0.493 nan 8.310 nan 0.000 0.501 196 G N 2.036 110.844 108.800 0.014 0.000 2.234 196 G HA2 -0.216 3.749 3.960 0.007 0.000 0.260 196 G HA3 -0.216 3.749 3.960 0.007 0.000 0.260 196 G C 0.479 175.403 174.900 0.040 0.000 0.987 196 G CA 0.185 45.279 45.100 -0.009 0.000 0.625 196 G HN 1.147 nan 8.290 nan 0.000 0.532 197 G N 0.809 109.643 108.800 0.056 0.000 2.651 197 G HA2 0.584 4.549 3.960 0.007 0.000 0.260 197 G HA3 0.584 4.549 3.960 0.007 0.000 0.260 197 G C -1.831 173.111 174.900 0.069 0.000 1.216 197 G CA -0.123 45.015 45.100 0.063 0.000 0.913 197 G HN 0.409 nan 8.290 nan 0.000 0.535 198 P HA 0.359 nan 4.420 nan 0.000 0.282 198 P C -1.192 176.085 177.300 -0.037 0.000 1.259 198 P CA -0.589 62.520 63.100 0.015 0.000 0.826 198 P CB 2.066 33.788 31.700 0.038 0.000 1.064 199 L N 3.591 124.763 121.223 -0.086 0.000 2.427 199 L HA 0.379 4.724 4.340 0.007 0.000 0.264 199 L C -0.825 175.928 176.870 -0.195 0.000 0.989 199 L CA -0.824 53.891 54.840 -0.209 0.000 0.865 199 L CB 0.974 42.779 42.059 -0.422 0.000 1.209 199 L HN 0.204 nan 8.230 nan 0.000 0.430 200 V N 1.279 121.117 119.914 -0.126 0.000 2.815 200 V HA 0.891 5.015 4.120 0.007 0.000 0.314 200 V C -0.239 175.975 176.094 0.200 0.000 1.064 200 V CA -0.595 61.710 62.300 0.009 0.000 0.952 200 V CB 1.375 33.275 31.823 0.127 0.000 1.020 200 V HN 0.808 nan 8.190 nan 0.000 0.439 201 c N 2.124 120.813 118.600 0.148 0.000 2.994 201 c HA 0.615 5.189 4.570 0.007 0.000 0.304 201 c C -0.068 174.021 174.090 -0.002 0.000 1.273 201 c CA -1.092 55.306 56.329 0.114 0.000 1.537 201 c CB 1.780 44.264 42.510 -0.043 0.000 2.001 201 c HN 1.007 nan 8.230 nan 0.000 0.471 202 K N 1.186 121.436 120.400 -0.249 0.000 2.237 202 K HA 0.376 4.701 4.320 0.007 0.000 0.270 202 K C -0.324 176.220 176.600 -0.093 0.000 1.015 202 K CA -0.004 56.051 56.287 -0.386 0.000 0.949 202 K CB 0.690 32.846 32.500 -0.574 0.000 0.976 202 K HN 0.586 nan 8.250 nan 0.000 0.472 203 K N 3.172 123.525 120.400 -0.079 0.000 2.723 203 K HA 0.081 4.405 4.320 0.007 0.000 0.229 203 K C -1.062 175.506 176.600 -0.053 0.000 1.022 203 K CA -0.297 55.987 56.287 -0.004 0.000 1.045 203 K CB 0.219 32.773 32.500 0.090 0.000 1.227 203 K HN 0.618 nan 8.250 nan 0.000 0.516 204 N N 2.525 121.183 118.700 -0.071 0.000 2.783 204 N HA -0.187 4.557 4.740 0.007 0.000 0.247 204 N C 0.524 175.987 175.510 -0.078 0.000 1.089 204 N CA 1.467 54.478 53.050 -0.065 0.000 0.690 204 N CB -1.321 37.140 38.487 -0.044 0.000 0.991 204 N HN 1.070 nan 8.380 nan 0.000 0.552 205 G N -1.880 106.843 108.800 -0.129 0.000 2.284 205 G HA2 -0.167 3.797 3.960 0.007 0.000 0.247 205 G HA3 -0.167 3.797 3.960 0.007 0.000 0.247 205 G C 0.192 174.983 174.900 -0.181 0.000 1.012 205 G CA 0.755 45.766 45.100 -0.148 0.000 0.618 205 G HN 1.293 nan 8.290 nan 0.000 0.521 206 A N -0.257 122.482 122.820 -0.134 0.000 2.301 206 A HA 0.629 4.953 4.320 0.007 0.000 0.312 206 A C -0.207 177.309 177.584 -0.112 0.000 1.182 206 A CA -0.455 51.543 52.037 -0.066 0.000 0.826 206 A CB 0.431 19.434 19.000 0.005 0.000 1.134 206 A HN 0.583 nan 8.150 nan 0.000 0.501 207 W N 1.735 123.056 121.300 0.034 0.000 2.304 207 W HA 0.423 5.087 4.660 0.008 0.000 0.313 207 W C 0.057 176.456 176.519 -0.199 0.000 1.323 207 W CA 0.464 57.794 57.345 -0.025 0.000 1.223 207 W CB 1.151 30.666 29.460 0.093 0.000 1.237 207 W HN 0.580 nan 8.180 nan 0.000 0.535 208 T N 4.605 119.189 114.554 0.050 0.000 2.807 208 T HA 0.269 4.624 4.350 0.007 0.000 0.279 208 T C -0.758 173.847 174.700 -0.158 0.000 0.993 208 T CA -0.860 61.203 62.100 -0.061 0.000 0.970 208 T CB 1.216 70.109 68.868 0.040 0.000 0.950 208 T HN 0.165 nan 8.240 nan 0.000 0.441 209 L N 4.862 125.968 121.223 -0.196 0.000 2.565 209 L HA 0.177 4.521 4.340 0.007 0.000 0.275 209 L C 0.826 177.567 176.870 -0.217 0.000 1.137 209 L CA 0.606 55.327 54.840 -0.198 0.000 0.915 209 L CB 0.002 41.968 42.059 -0.154 0.000 1.232 209 L HN 0.611 nan 8.230 nan 0.000 0.473 210 V N 4.278 124.006 119.914 -0.309 0.000 2.949 210 V HA 0.422 4.546 4.120 0.007 0.000 0.245 210 V C 1.039 176.998 176.094 -0.226 0.000 1.086 210 V CA 0.845 62.895 62.300 -0.417 0.000 1.097 210 V CB 0.136 31.537 31.823 -0.704 0.000 0.762 210 V HN 0.862 nan 8.190 nan 0.000 0.470 211 G N -0.653 108.043 108.800 -0.173 0.000 2.690 211 G HA2 0.697 4.661 3.960 0.007 0.000 0.291 211 G HA3 0.697 4.661 3.960 0.007 0.000 0.291 211 G C -1.612 173.332 174.900 0.074 0.000 1.403 211 G CA -0.551 44.520 45.100 -0.048 0.000 0.864 211 G HN 0.024 nan 8.290 nan 0.000 0.480 212 I N 1.100 121.782 120.570 0.186 0.000 2.418 212 I HA 0.233 4.408 4.170 0.007 0.000 0.287 212 I C 0.113 176.354 176.117 0.206 0.000 1.008 212 I CA -1.018 60.386 61.300 0.173 0.000 1.104 212 I CB 2.140 40.207 38.000 0.113 0.000 1.264 212 I HN 0.128 nan 8.210 nan 0.000 0.438 213 V N 5.314 125.323 119.914 0.159 0.000 2.539 213 V HA -0.080 4.045 4.120 0.007 0.000 0.300 213 V C 0.901 176.969 176.094 -0.043 0.000 1.019 213 V CA 0.868 63.093 62.300 -0.126 0.000 1.160 213 V CB 0.699 32.490 31.823 -0.052 0.000 0.901 213 V HN 0.986 nan 8.190 nan 0.000 0.481 214 S N 4.881 120.477 115.700 -0.174 0.000 3.334 214 S HA 0.364 4.838 4.470 0.007 0.000 0.224 214 S C -0.081 174.552 174.600 0.056 0.000 0.959 214 S CA 0.074 58.331 58.200 0.096 0.000 0.815 214 S CB 0.574 63.851 63.200 0.128 0.000 0.861 214 S HN 0.893 nan 8.310 nan 0.000 0.596 215 W N -0.231 120.897 121.300 -0.286 0.000 2.923 215 W HA 0.629 5.292 4.660 0.006 0.000 0.373 215 W C -0.212 176.118 176.519 -0.315 0.000 1.205 215 W CA -0.404 56.760 57.345 -0.302 0.000 1.180 215 W CB 0.231 29.492 29.460 -0.331 0.000 1.477 215 W HN 0.603 nan 8.180 nan 0.000 0.581 216 G N 0.298 109.134 108.800 0.060 0.000 2.392 216 G HA2 0.304 4.268 3.960 0.007 0.000 0.260 216 G HA3 0.304 4.268 3.960 0.007 0.000 0.260 216 G C -1.052 174.022 174.900 0.289 0.000 1.226 216 G CA -0.175 44.903 45.100 -0.037 0.000 0.913 216 G HN 0.843 nan 8.290 nan 0.000 0.483 217 S N -0.194 115.733 115.700 0.379 0.000 2.558 217 S HA 0.252 4.726 4.470 0.007 0.000 0.293 217 S C 1.569 176.256 174.600 0.146 0.000 1.292 217 S CA 0.821 59.217 58.200 0.325 0.000 1.063 217 S CB 0.561 63.833 63.200 0.120 0.000 0.831 217 S HN 0.915 nan 8.310 nan 0.000 0.499 218 S N 2.711 118.488 115.700 0.129 0.000 2.515 218 S HA -0.021 4.454 4.470 0.007 0.000 0.231 218 S C 1.456 175.922 174.600 -0.223 0.000 0.987 218 S CA 1.037 59.255 58.200 0.028 0.000 0.936 218 S CB -0.179 63.064 63.200 0.071 0.000 0.766 218 S HN 0.974 nan 8.310 nan 0.000 0.528 219 T N -2.780 111.549 114.554 -0.375 0.000 3.252 219 T HA 0.225 4.579 4.350 0.007 0.000 0.286 219 T C 0.483 174.815 174.700 -0.613 0.000 1.013 219 T CA -0.254 61.252 62.100 -0.991 0.000 0.914 219 T CB -0.951 67.526 68.868 -0.653 0.000 1.131 219 T HN 0.207 nan 8.240 nan 0.000 0.529 220 c N 1.892 120.338 118.600 -0.257 0.000 4.235 220 c HA -0.149 4.426 4.570 0.007 0.000 0.301 220 c C 1.090 175.141 174.090 -0.065 0.000 1.409 220 c CA 0.434 56.716 56.329 -0.079 0.000 2.024 220 c CB -3.272 39.250 42.510 0.020 0.000 1.286 220 c HN 0.929 nan 8.230 nan 0.000 0.746 221 S N 0.736 116.387 115.700 -0.081 0.000 2.549 221 S HA 0.333 4.807 4.470 0.007 0.000 0.286 221 S C 1.435 176.001 174.600 -0.056 0.000 1.314 221 S CA 0.645 58.803 58.200 -0.070 0.000 1.062 221 S CB 0.854 64.001 63.200 -0.089 0.000 0.865 221 S HN 0.956 nan 8.310 nan 0.000 0.498 222 T N 0.704 115.232 114.554 -0.044 0.000 3.129 222 T HA 0.080 4.434 4.350 0.007 0.000 0.251 222 T C 1.179 175.845 174.700 -0.057 0.000 1.117 222 T CA 0.490 62.568 62.100 -0.037 0.000 1.034 222 T CB -0.309 68.549 68.868 -0.017 0.000 0.968 222 T HN 0.605 nan 8.240 nan 0.000 0.526 223 S N 0.804 116.452 115.700 -0.088 0.000 2.554 223 S HA 0.235 4.710 4.470 0.007 0.000 0.226 223 S C 0.744 175.220 174.600 -0.206 0.000 0.980 223 S CA -0.324 57.810 58.200 -0.111 0.000 0.939 223 S CB -0.220 62.927 63.200 -0.088 0.000 0.832 223 S HN 0.700 nan 8.310 nan 0.000 0.486 224 T N -0.213 114.185 114.554 -0.258 0.000 2.912 224 T HA 0.671 5.026 4.350 0.007 0.000 0.288 224 T C -3.471 171.100 174.700 -0.216 0.000 1.030 224 T CA -2.535 59.282 62.100 -0.471 0.000 1.020 224 T CB 1.277 69.716 68.868 -0.715 0.000 1.056 224 T HN -0.157 nan 8.240 nan 0.000 0.480 225 P HA 0.353 nan 4.420 nan 0.000 0.271 225 P C 0.214 177.601 177.300 0.144 0.000 1.216 225 P CA -0.009 63.127 63.100 0.059 0.000 0.771 225 P CB 0.330 32.117 31.700 0.144 0.000 0.864 226 G N 1.973 110.810 108.800 0.061 0.000 2.377 226 G HA2 0.489 4.454 3.960 0.007 0.000 0.299 226 G HA3 0.489 4.454 3.960 0.007 0.000 0.299 226 G C -0.821 173.964 174.900 -0.192 0.000 1.150 226 G CA -0.393 44.661 45.100 -0.077 0.000 0.847 226 G HN 0.337 nan 8.290 nan 0.000 0.501 227 V N 1.691 121.205 119.914 -0.667 0.000 2.483 227 V HA 0.541 4.665 4.120 0.007 0.000 0.295 227 V C -0.882 174.816 176.094 -0.660 0.000 1.035 227 V CA -0.657 61.189 62.300 -0.756 0.000 0.896 227 V CB 0.918 31.676 31.823 -1.776 0.000 0.986 227 V HN 0.639 nan 8.190 nan 0.000 0.447 228 Y N 1.066 121.203 120.300 -0.272 0.000 2.576 228 Y HA 0.732 5.287 4.550 0.008 0.000 0.346 228 Y C 0.409 176.279 175.900 -0.050 0.000 1.018 228 Y CA -1.070 56.957 58.100 -0.122 0.000 1.050 228 Y CB 1.776 40.178 38.460 -0.097 0.000 1.280 228 Y HN 0.716 nan 8.280 nan 0.000 0.474 229 A N 2.096 125.013 122.820 0.162 0.000 2.409 229 A HA 0.345 4.669 4.320 0.007 0.000 0.267 229 A C 0.229 177.876 177.584 0.106 0.000 1.127 229 A CA -0.535 51.579 52.037 0.129 0.000 0.795 229 A CB -0.045 19.027 19.000 0.120 0.000 1.061 229 A HN 0.766 nan 8.150 nan 0.000 0.502 230 R N 3.636 124.187 120.500 0.085 0.000 2.309 230 R HA 0.240 4.584 4.340 0.007 0.000 0.331 230 R C 0.426 176.764 176.300 0.064 0.000 1.116 230 R CA -0.292 55.845 56.100 0.061 0.000 0.970 230 R CB 0.127 30.466 30.300 0.065 0.000 1.024 230 R HN 0.570 nan 8.270 nan 0.000 0.472 231 V N 3.345 123.287 119.914 0.045 0.000 2.392 231 V HA -0.297 3.827 4.120 0.007 0.000 0.249 231 V C 2.455 178.598 176.094 0.082 0.000 1.059 231 V CA 2.396 64.732 62.300 0.060 0.000 1.051 231 V CB -0.791 31.046 31.823 0.023 0.000 0.658 231 V HN 0.938 nan 8.190 nan 0.000 0.455 232 T N -0.498 114.110 114.554 0.091 0.000 2.737 232 T HA -0.207 4.148 4.350 0.007 0.000 0.269 232 T C 1.785 176.542 174.700 0.094 0.000 1.040 232 T CA 1.629 63.796 62.100 0.112 0.000 1.142 232 T CB -0.520 68.435 68.868 0.146 0.000 0.861 232 T HN 0.523 nan 8.240 nan 0.000 0.456 233 A N 0.536 123.409 122.820 0.088 0.000 2.167 233 A HA 0.468 4.793 4.320 0.007 0.000 0.214 233 A C 2.067 179.708 177.584 0.095 0.000 1.151 233 A CA 0.515 52.601 52.037 0.081 0.000 0.735 233 A CB -0.435 18.607 19.000 0.070 0.000 0.802 233 A HN 0.595 nan 8.150 nan 0.000 0.467 234 L N -2.027 119.266 121.223 0.117 0.000 2.920 234 L HA 0.167 4.512 4.340 0.007 0.000 0.257 234 L C 1.849 178.868 176.870 0.248 0.000 1.150 234 L CA 0.029 54.973 54.840 0.174 0.000 0.959 234 L CB 0.482 42.627 42.059 0.142 0.000 1.321 234 L HN 0.137 nan 8.230 nan 0.000 0.555 235 V N 0.892 120.901 119.914 0.158 0.000 2.594 235 V HA -0.203 3.921 4.120 0.007 0.000 0.253 235 V C 2.091 178.233 176.094 0.081 0.000 1.069 235 V CA 1.859 64.228 62.300 0.114 0.000 1.082 235 V CB -0.227 31.637 31.823 0.069 0.000 0.680 235 V HN 0.521 nan 8.190 nan 0.000 0.469 236 N N -0.645 118.117 118.700 0.103 0.000 2.188 236 N HA -0.199 4.545 4.740 0.007 0.000 0.184 236 N C 1.411 176.964 175.510 0.072 0.000 1.018 236 N CA 1.870 54.959 53.050 0.065 0.000 0.858 236 N CB -0.488 38.044 38.487 0.076 0.000 0.989 236 N HN 0.830 nan 8.380 nan 0.000 0.426 237 W N 1.956 123.249 121.300 -0.012 0.000 2.388 237 W HA -0.078 4.587 4.660 0.008 0.000 0.294 237 W C 1.792 178.282 176.519 -0.048 0.000 1.212 237 W CA 0.756 58.095 57.345 -0.011 0.000 1.271 237 W CB -0.339 29.133 29.460 0.020 0.000 1.126 237 W HN -0.249 nan 8.180 nan 0.000 0.535 238 V N 1.381 121.192 119.914 -0.172 0.000 2.261 238 V HA -0.342 3.783 4.120 0.007 0.000 0.246 238 V C 2.667 178.462 176.094 -0.499 0.000 1.047 238 V CA 2.244 64.266 62.300 -0.463 0.000 1.015 238 V CB -1.135 30.618 31.823 -0.116 0.000 0.642 238 V HN 0.172 nan 8.190 nan 0.000 0.446 239 Q N -0.032 119.592 119.800 -0.294 0.000 2.077 239 Q HA -0.286 4.059 4.340 0.007 0.000 0.206 239 Q C 2.251 178.053 176.000 -0.329 0.000 0.989 239 Q CA 2.000 57.636 55.803 -0.279 0.000 0.853 239 Q CB -0.542 28.101 28.738 -0.158 0.000 0.907 239 Q HN 0.724 nan 8.270 nan 0.000 0.418 240 Q N -0.383 119.236 119.800 -0.301 0.000 2.124 240 Q HA -0.109 4.235 4.340 0.007 0.000 0.202 240 Q C 2.115 177.882 176.000 -0.389 0.000 0.977 240 Q CA 1.679 57.317 55.803 -0.275 0.000 0.850 240 Q CB -0.145 28.482 28.738 -0.185 0.000 0.901 240 Q HN 0.374 nan 8.270 nan 0.000 0.429 241 T N 1.108 115.288 114.554 -0.624 0.000 2.737 241 T HA -0.115 4.240 4.350 0.007 0.000 0.265 241 T C 1.722 175.951 174.700 -0.785 0.000 1.038 241 T CA 0.879 62.540 62.100 -0.732 0.000 1.144 241 T CB -0.140 68.079 68.868 -1.081 0.000 0.866 241 T HN 0.035 nan 8.240 nan 0.000 0.434 242 L N 1.355 122.030 121.223 -0.913 0.000 2.017 242 L HA 0.016 4.361 4.340 0.007 0.000 0.208 242 L C 2.847 179.411 176.870 -0.509 0.000 1.073 242 L CA 1.702 55.949 54.840 -0.988 0.000 0.745 242 L CB -1.306 40.214 42.059 -0.898 0.000 0.894 242 L HN 0.241 nan 8.230 nan 0.000 0.432 243 A N -0.857 121.741 122.820 -0.370 0.000 1.978 243 A HA -0.098 4.227 4.320 0.007 0.000 0.220 243 A C 2.290 179.780 177.584 -0.158 0.000 1.170 243 A CA 1.664 53.571 52.037 -0.217 0.000 0.636 243 A CB -0.753 18.142 19.000 -0.174 0.000 0.810 243 A HN 0.380 nan 8.150 nan 0.000 0.448 244 A N -1.246 121.465 122.820 -0.182 0.000 2.251 244 A HA 0.239 4.563 4.320 0.007 0.000 0.209 244 A C 0.727 178.288 177.584 -0.038 0.000 1.187 244 A CA 0.047 52.028 52.037 -0.092 0.000 0.823 244 A CB -0.095 18.858 19.000 -0.078 0.000 0.846 244 A HN 0.548 nan 8.150 nan 0.000 0.486 245 N N 0.000 118.664 118.700 -0.060 0.000 1.763 245 N HA 0.000 4.744 4.740 0.007 0.000 0.220 245 N CA 0.000 53.106 53.050 0.094 0.000 0.885 245 N CB 0.000 38.580 38.487 0.154 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667