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 1t8o_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 0.000 174.156 174.090 0.110 0.000 1.270 1 c CA 0.000 56.400 56.329 0.118 0.000 1.963 1 c CB 0.000 42.550 42.510 0.067 0.000 2.134 2 G N 0.193 109.052 108.800 0.098 0.000 2.175 2 G HA2 -0.098 3.866 3.960 0.007 0.000 0.265 2 G HA3 -0.098 3.866 3.960 0.007 0.000 0.265 2 G C -0.130 175.017 174.900 0.413 0.000 0.979 2 G CA 0.595 45.788 45.100 0.155 0.000 0.663 2 G HN 2.045 nan 8.290 nan 0.000 0.533 3 V N 1.429 121.559 119.914 0.359 0.000 2.327 3 V HA 0.366 4.490 4.120 0.007 0.000 0.272 3 V C -1.750 174.484 176.094 0.233 0.000 1.019 3 V CA -1.553 60.923 62.300 0.294 0.000 0.814 3 V CB 1.463 33.381 31.823 0.158 0.000 1.040 3 V HN 0.139 nan 8.190 nan 0.000 0.440 4 P HA 0.187 nan 4.420 nan 0.000 0.265 4 P C 0.929 178.207 177.300 -0.038 0.000 1.193 4 P CA 0.091 63.182 63.100 -0.016 0.000 0.765 4 P CB 1.145 32.700 31.700 -0.242 0.000 0.823 5 A N 3.861 126.643 122.820 -0.064 0.000 1.930 5 A HA -0.039 4.285 4.320 0.007 0.000 0.217 5 A C 0.989 178.519 177.584 -0.090 0.000 1.175 5 A CA 1.006 53.011 52.037 -0.053 0.000 0.627 5 A CB -0.639 18.331 19.000 -0.048 0.000 0.815 5 A HN 0.562 nan 8.150 nan 0.000 0.443 6 I N 0.750 121.229 120.570 -0.152 0.000 2.306 6 I HA 0.124 4.298 4.170 0.007 0.000 0.288 6 I C 0.199 176.168 176.117 -0.245 0.000 1.036 6 I CA -0.327 60.859 61.300 -0.189 0.000 1.221 6 I CB 1.123 38.986 38.000 -0.230 0.000 1.385 6 I HN 0.351 nan 8.210 nan 0.000 0.472 7 Q N 8.851 128.544 119.800 -0.179 0.000 2.300 7 Q HA 0.157 4.501 4.340 0.007 0.000 0.280 7 Q C -2.111 173.721 176.000 -0.280 0.000 1.033 7 Q CA -1.268 54.429 55.803 -0.176 0.000 0.903 7 Q CB 0.796 29.486 28.738 -0.079 0.000 1.195 7 Q HN 0.326 nan 8.270 nan 0.000 0.386 8 P HA 0.046 nan 4.420 nan 0.000 0.274 8 P C -1.124 176.057 177.300 -0.199 0.000 1.231 8 P CA -0.209 62.566 63.100 -0.542 0.000 0.790 8 P CB 0.964 31.966 31.700 -1.164 0.000 0.951 9 V N 3.905 123.743 119.914 -0.127 0.000 2.350 9 V HA 0.270 4.394 4.120 0.007 0.000 0.285 9 V C 0.736 176.856 176.094 0.044 0.000 1.014 9 V CA -0.442 61.843 62.300 -0.025 0.000 0.831 9 V CB 0.891 32.690 31.823 -0.039 0.000 1.000 9 V HN 0.410 nan 8.190 nan 0.000 0.433 10 L N 2.721 123.998 121.223 0.091 0.000 2.635 10 L HA 0.717 5.061 4.340 0.007 0.000 0.250 10 L C 0.504 177.422 176.870 0.079 0.000 1.117 10 L CA -0.410 54.501 54.840 0.119 0.000 0.834 10 L CB 1.440 43.608 42.059 0.180 0.000 1.544 10 L HN 0.561 nan 8.230 nan 0.000 0.511 17 V N 5.682 125.605 119.914 0.014 0.000 2.465 17 V HA 0.287 4.411 4.120 0.007 0.000 0.279 17 V C 0.882 176.981 176.094 0.009 0.000 1.045 17 V CA 0.003 62.316 62.300 0.022 0.000 0.938 17 V CB 1.210 33.056 31.823 0.037 0.000 0.986 17 V HN 0.973 nan 8.190 nan 0.000 0.467 18 N N 2.833 121.538 118.700 0.008 0.000 2.741 18 N HA -0.150 4.594 4.740 0.007 0.000 0.250 18 N C 0.341 175.849 175.510 -0.002 0.000 1.115 18 N CA 1.069 54.122 53.050 0.005 0.000 0.724 18 N CB -0.871 37.620 38.487 0.006 0.000 1.090 18 N HN 0.991 nan 8.380 nan 0.000 0.558 19 G N -0.653 108.140 108.800 -0.011 0.000 2.695 19 G HA2 0.588 4.552 3.960 0.007 0.000 0.213 19 G HA3 0.588 4.552 3.960 0.007 0.000 0.213 19 G C -0.420 174.473 174.900 -0.012 0.000 1.406 19 G CA 0.155 45.243 45.100 -0.020 0.000 1.049 19 G HN 0.445 nan 8.290 nan 0.000 0.573 20 E N -0.567 119.626 120.200 -0.013 0.000 2.408 20 E HA 0.300 4.654 4.350 0.007 0.000 0.275 20 E C -1.212 175.394 176.600 0.009 0.000 0.935 20 E CA -0.786 55.617 56.400 0.005 0.000 0.775 20 E CB 1.714 31.426 29.700 0.020 0.000 1.277 20 E HN 0.471 nan 8.360 nan 0.000 0.455 21 E N 0.799 121.018 120.200 0.031 0.000 2.376 21 E HA 0.361 4.715 4.350 0.007 0.000 0.266 21 E C -0.528 176.138 176.600 0.110 0.000 1.009 21 E CA -0.198 56.242 56.400 0.067 0.000 0.902 21 E CB 0.729 30.490 29.700 0.101 0.000 0.972 21 E HN 0.555 nan 8.360 nan 0.000 0.439 22 A N 3.683 126.600 122.820 0.162 0.000 2.332 22 A HA 0.264 4.588 4.320 0.007 0.000 0.258 22 A C -0.277 177.359 177.584 0.086 0.000 1.087 22 A CA -0.648 51.496 52.037 0.178 0.000 0.802 22 A CB 0.866 20.038 19.000 0.288 0.000 1.042 22 A HN 0.520 nan 8.150 nan 0.000 0.489 23 V N 2.863 122.724 119.914 -0.089 0.000 2.572 23 V HA 0.137 4.261 4.120 0.007 0.000 0.291 23 V C -2.013 173.844 176.094 -0.395 0.000 1.039 23 V CA -0.793 61.363 62.300 -0.240 0.000 1.055 23 V CB 0.664 32.334 31.823 -0.255 0.000 0.969 23 V HN 0.734 nan 8.190 nan 0.000 0.482 24 P HA 0.122 nan 4.420 nan 0.000 0.260 24 P C 0.914 177.951 177.300 -0.439 0.000 1.185 24 P CA 1.488 64.019 63.100 -0.947 0.000 0.763 24 P CB 0.306 31.342 31.700 -1.107 0.000 0.776 25 G N 3.031 111.672 108.800 -0.264 0.000 2.162 25 G HA2 -0.317 3.647 3.960 0.007 0.000 0.260 25 G HA3 -0.317 3.647 3.960 0.007 0.000 0.260 25 G C 1.068 175.764 174.900 -0.341 0.000 0.976 25 G CA 0.570 45.538 45.100 -0.220 0.000 0.655 25 G HN 0.595 nan 8.290 nan 0.000 0.533 26 S N -1.801 113.614 115.700 -0.475 0.000 2.561 26 S HA 0.189 4.663 4.470 0.007 0.000 0.225 26 S C 0.648 174.532 174.600 -1.193 0.000 0.977 26 S CA 0.599 58.336 58.200 -0.773 0.000 0.926 26 S CB -0.245 62.440 63.200 -0.859 0.000 0.769 26 S HN 0.639 nan 8.310 nan 0.000 0.533 27 W N 2.195 123.130 121.300 -0.609 0.000 1.950 27 W HA 0.416 5.081 4.660 0.007 0.000 0.289 27 W C -2.070 173.851 176.519 -0.997 0.000 0.883 27 W CA -2.137 54.580 57.345 -1.047 0.000 2.031 27 W CB 1.079 30.065 29.460 -0.790 0.000 2.266 27 W HN 0.074 nan 8.180 nan 0.000 0.400 28 P HA -0.219 nan 4.420 nan 0.000 0.222 28 P C 0.821 177.991 177.300 -0.216 0.000 1.142 28 P CA 1.770 64.640 63.100 -0.383 0.000 0.788 28 P CB 0.041 31.568 31.700 -0.288 0.000 0.767 29 W N -0.292 121.012 121.300 0.007 0.000 3.077 29 W HA 0.348 5.012 4.660 0.006 0.000 0.266 29 W C 0.755 177.305 176.519 0.052 0.000 1.300 29 W CA -0.500 56.849 57.345 0.007 0.000 1.586 29 W CB -1.486 27.988 29.460 0.023 0.000 1.103 29 W HN -0.147 nan 8.180 nan 0.000 0.652 30 Q N 3.054 122.842 119.800 -0.020 0.000 2.271 30 Q HA 0.302 4.646 4.340 0.007 0.000 0.273 30 Q C -0.191 175.925 176.000 0.195 0.000 1.051 30 Q CA -0.080 55.776 55.803 0.089 0.000 0.901 30 Q CB 0.889 29.572 28.738 -0.092 0.000 1.174 30 Q HN 0.254 nan 8.270 nan 0.000 0.385 31 V N 0.909 120.967 119.914 0.241 0.000 3.046 31 V HA 0.824 4.948 4.120 0.007 0.000 0.316 31 V C -0.565 175.695 176.094 0.277 0.000 1.104 31 V CA -0.825 61.613 62.300 0.230 0.000 1.006 31 V CB 2.006 33.913 31.823 0.140 0.000 1.058 31 V HN 0.701 nan 8.190 nan 0.000 0.440 32 S N 2.122 117.899 115.700 0.128 0.000 2.449 32 S HA 0.695 5.169 4.470 0.007 0.000 0.310 32 S C -0.710 173.794 174.600 -0.159 0.000 1.096 32 S CA -0.719 57.492 58.200 0.018 0.000 1.095 32 S CB 0.473 63.529 63.200 -0.240 0.000 1.007 32 S HN 0.749 nan 8.310 nan 0.000 0.474 33 L N 5.039 126.019 121.223 -0.405 0.000 2.264 33 L HA 0.512 4.856 4.340 0.007 0.000 0.289 33 L C 0.147 176.565 176.870 -0.754 0.000 1.044 33 L CA -0.407 54.081 54.840 -0.586 0.000 0.807 33 L CB 1.134 42.683 42.059 -0.850 0.000 1.192 33 L HN 0.660 nan 8.230 nan 0.000 0.425 34 Q N 1.384 121.046 119.800 -0.230 0.000 2.433 34 Q HA 0.329 4.672 4.340 0.007 0.000 0.279 34 Q C -1.145 175.058 176.000 0.338 0.000 1.105 34 Q CA -1.063 54.779 55.803 0.065 0.000 0.815 34 Q CB 2.743 31.483 28.738 0.004 0.000 1.403 34 Q HN 0.629 nan 8.270 nan 0.000 0.435 35 D N -0.117 120.516 120.400 0.387 0.000 2.433 35 D HA 0.005 4.649 4.640 0.007 0.000 0.255 35 D C 0.614 176.998 176.300 0.141 0.000 1.226 35 D CA -0.470 53.672 54.000 0.236 0.000 1.015 35 D CB 0.569 41.458 40.800 0.149 0.000 1.091 35 D HN 0.599 nan 8.370 nan 0.000 0.527 36 K N -1.616 118.833 120.400 0.082 0.000 2.360 36 K HA -0.160 4.164 4.320 0.007 0.000 0.201 36 K C 1.302 177.933 176.600 0.052 0.000 1.046 36 K CA 1.625 57.944 56.287 0.053 0.000 0.940 36 K CB -0.733 31.784 32.500 0.027 0.000 0.748 36 K HN 0.534 nan 8.250 nan 0.000 0.465 37 T N -3.846 110.752 114.554 0.073 0.000 3.060 37 T HA 0.285 4.639 4.350 0.007 0.000 0.249 37 T C 1.335 176.087 174.700 0.087 0.000 1.079 37 T CA 0.230 62.372 62.100 0.070 0.000 1.013 37 T CB 0.432 69.342 68.868 0.070 0.000 0.975 37 T HN 0.462 nan 8.240 nan 0.000 0.518 38 G N 0.964 109.826 108.800 0.104 0.000 2.148 38 G HA2 -0.177 3.787 3.960 0.007 0.000 0.203 38 G HA3 -0.177 3.787 3.960 0.007 0.000 0.203 38 G C -0.236 174.725 174.900 0.100 0.000 0.993 38 G CA -0.241 44.900 45.100 0.069 0.000 0.661 38 G HN 0.605 nan 8.290 nan 0.000 0.518 39 F N 2.865 122.845 119.950 0.051 0.000 2.471 39 F HA 0.587 5.117 4.527 0.005 0.000 0.365 39 F C 0.909 176.792 175.800 0.138 0.000 1.095 39 F CA -0.925 57.125 58.000 0.082 0.000 1.174 39 F CB 0.328 39.378 39.000 0.083 0.000 1.105 39 F HN 0.304 nan 8.300 nan 0.000 0.535 40 H N 6.997 125.729 119.070 -0.563 0.000 2.899 40 H HA 0.153 4.713 4.556 0.006 0.000 0.303 40 H C 0.132 175.261 175.328 -0.332 0.000 1.042 40 H CA 0.323 56.106 56.048 -0.442 0.000 1.479 40 H CB 0.313 29.778 29.762 -0.495 0.000 1.493 40 H HN 0.621 nan 8.280 nan 0.000 0.534 41 F N 1.234 120.869 119.950 -0.526 0.000 2.784 41 F HA 0.441 4.971 4.527 0.006 0.000 0.323 41 F C -0.356 175.276 175.800 -0.281 0.000 1.085 41 F CA -0.696 57.181 58.000 -0.204 0.000 1.196 41 F CB -0.026 39.012 39.000 0.063 0.000 1.053 41 F HN 0.436 nan 8.300 nan 0.000 0.578 42 c N 0.220 118.214 118.600 -1.010 0.000 3.306 42 c HA 0.751 5.325 4.570 0.007 0.000 0.335 42 c C 0.484 174.290 174.090 -0.474 0.000 1.382 42 c CA -0.558 55.449 56.329 -0.537 0.000 1.254 42 c CB 1.204 43.493 42.510 -0.368 0.000 1.555 42 c HN 0.681 nan 8.230 nan 0.000 0.463 43 G N -0.289 108.456 108.800 -0.092 0.000 2.601 43 G HA2 0.845 4.809 3.960 0.007 0.000 0.317 43 G HA3 0.845 4.809 3.960 0.007 0.000 0.317 43 G C -0.414 174.497 174.900 0.019 0.000 1.246 43 G CA 0.152 45.299 45.100 0.078 0.000 1.012 43 G HN 1.452 nan 8.290 nan 0.000 0.494 44 G N -1.696 107.157 108.800 0.089 0.000 2.559 44 G HA2 0.543 4.507 3.960 0.007 0.000 0.291 44 G HA3 0.543 4.507 3.960 0.007 0.000 0.291 44 G C -1.419 173.575 174.900 0.157 0.000 1.424 44 G CA -0.305 44.850 45.100 0.092 0.000 0.786 44 G HN 0.888 nan 8.290 nan 0.000 0.485 45 S N -0.454 115.348 115.700 0.169 0.000 2.571 45 S HA 0.522 4.996 4.470 0.007 0.000 0.284 45 S C -0.362 174.367 174.600 0.215 0.000 1.128 45 S CA -0.509 57.831 58.200 0.232 0.000 0.970 45 S CB 1.490 64.798 63.200 0.179 0.000 1.039 45 S HN 0.565 nan 8.310 nan 0.000 0.485 46 L N 3.763 125.143 121.223 0.262 0.000 2.410 46 L HA 0.341 4.685 4.340 0.007 0.000 0.273 46 L C 1.220 178.228 176.870 0.229 0.000 1.152 46 L CA -0.018 54.975 54.840 0.254 0.000 0.855 46 L CB 0.391 42.602 42.059 0.253 0.000 1.129 46 L HN 0.784 nan 8.230 nan 0.000 0.463 47 I N -0.491 120.219 120.570 0.234 0.000 4.070 47 I HA 0.301 4.475 4.170 0.007 0.000 0.328 47 I C 0.085 176.339 176.117 0.228 0.000 1.298 47 I CA -0.192 61.209 61.300 0.168 0.000 1.173 47 I CB 0.241 38.303 38.000 0.102 0.000 1.051 47 I HN 0.739 nan 8.210 nan 0.000 0.409 48 N N 0.105 119.012 118.700 0.344 0.000 3.373 48 N HA 0.009 4.753 4.740 0.007 0.000 0.275 48 N C 0.347 176.091 175.510 0.389 0.000 1.489 48 N CA -0.201 53.067 53.050 0.363 0.000 0.872 48 N CB 0.254 38.858 38.487 0.195 0.000 1.555 48 N HN 0.035 nan 8.380 nan 0.000 0.500 49 E N -0.418 119.793 120.200 0.019 0.000 2.338 49 E HA -0.130 4.224 4.350 0.007 0.000 0.197 49 E C -0.401 176.240 176.600 0.069 0.000 1.007 49 E CA 1.202 57.548 56.400 -0.090 0.000 0.849 49 E CB -0.410 29.021 29.700 -0.448 0.000 0.774 49 E HN 0.579 nan 8.360 nan 0.000 0.506 50 N N -0.766 118.007 118.700 0.123 0.000 2.171 50 N HA 0.088 4.832 4.740 0.007 0.000 0.212 50 N C -0.941 174.455 175.510 -0.191 0.000 1.184 50 N CA 0.063 53.102 53.050 -0.018 0.000 0.888 50 N CB 0.422 38.884 38.487 -0.042 0.000 1.038 50 N HN 0.091 nan 8.380 nan 0.000 0.517 51 W N 0.523 121.861 121.300 0.062 0.000 3.022 51 W HA 0.561 5.224 4.660 0.006 0.000 0.335 51 W C -0.636 175.937 176.519 0.090 0.000 1.133 51 W CA -0.567 56.811 57.345 0.055 0.000 1.219 51 W CB 1.321 30.780 29.460 -0.000 0.000 1.409 51 W HN -0.432 nan 8.180 nan 0.000 0.507 52 V N 3.372 123.473 119.914 0.312 0.000 2.656 52 V HA 0.553 4.677 4.120 0.007 0.000 0.307 52 V C -0.895 175.345 176.094 0.244 0.000 1.051 52 V CA -1.181 61.261 62.300 0.236 0.000 0.893 52 V CB 1.842 33.761 31.823 0.160 0.000 0.999 52 V HN 0.338 nan 8.190 nan 0.000 0.426 53 V N 4.575 124.609 119.914 0.201 0.000 2.483 53 V HA 0.841 4.965 4.120 0.007 0.000 0.295 53 V C -0.005 176.174 176.094 0.141 0.000 1.035 53 V CA 0.538 62.952 62.300 0.190 0.000 0.896 53 V CB 1.895 33.815 31.823 0.162 0.000 0.986 53 V HN 1.102 nan 8.190 nan 0.000 0.447 54 T N 4.376 119.006 114.554 0.127 0.000 2.618 54 T HA 0.771 5.125 4.350 0.007 0.000 0.293 54 T C -0.624 174.089 174.700 0.022 0.000 1.093 54 T CA 0.111 62.247 62.100 0.060 0.000 1.061 54 T CB 1.577 70.463 68.868 0.029 0.000 1.498 54 T HN 1.228 nan 8.240 nan 0.000 0.494 55 A N 0.326 123.104 122.820 -0.069 0.000 2.304 55 A HA 0.746 5.070 4.320 0.007 0.000 0.301 55 A C 1.403 178.837 177.584 -0.249 0.000 1.132 55 A CA 0.221 52.168 52.037 -0.151 0.000 0.819 55 A CB 0.394 19.233 19.000 -0.269 0.000 1.094 55 A HN 1.160 nan 8.150 nan 0.000 0.492 56 A N 0.852 123.478 122.820 -0.323 0.000 1.969 56 A HA -0.109 4.215 4.320 0.007 0.000 0.218 56 A C 1.736 179.012 177.584 -0.513 0.000 1.169 56 A CA 1.634 53.369 52.037 -0.504 0.000 0.635 56 A CB -0.942 17.485 19.000 -0.954 0.000 0.810 56 A HN 1.066 nan 8.150 nan 0.000 0.445 57 H N -1.828 117.004 119.070 -0.397 0.000 2.545 57 H HA -0.041 4.519 4.556 0.007 0.000 0.282 57 H C 1.640 176.959 175.328 -0.015 0.000 1.020 57 H CA 1.225 57.188 56.048 -0.143 0.000 1.243 57 H CB -0.817 28.959 29.762 0.023 0.000 1.377 57 H HN 0.402 nan 8.280 nan 0.000 0.581 58 c N 1.110 119.486 118.600 -0.374 0.000 2.437 58 c HA 0.122 4.696 4.570 0.007 0.000 0.283 58 c C 2.011 176.137 174.090 0.060 0.000 1.424 58 c CA 0.881 57.165 56.329 -0.074 0.000 1.782 58 c CB -1.243 41.249 42.510 -0.029 0.000 1.833 58 c HN 0.912 nan 8.230 nan 0.000 0.532 59 G N 1.119 109.909 108.800 -0.017 0.000 2.323 59 G HA2 -0.222 3.742 3.960 0.007 0.000 0.292 59 G HA3 -0.222 3.742 3.960 0.007 0.000 0.292 59 G C 0.074 174.967 174.900 -0.011 0.000 1.040 59 G CA 0.361 45.447 45.100 -0.023 0.000 0.942 59 G HN 0.439 nan 8.290 nan 0.000 0.506 60 V N 0.680 120.646 119.914 0.087 0.000 2.763 60 V HA 0.529 4.653 4.120 0.007 0.000 0.306 60 V C 1.200 177.328 176.094 0.057 0.000 1.059 60 V CA 0.823 63.212 62.300 0.148 0.000 1.138 60 V CB 1.068 33.010 31.823 0.199 0.000 0.940 60 V HN 0.986 nan 8.190 nan 0.000 0.489 61 T N -0.570 114.011 114.554 0.045 0.000 2.888 61 T HA 0.329 4.683 4.350 0.007 0.000 0.288 61 T C 0.910 175.624 174.700 0.023 0.000 1.063 61 T CA 0.087 62.193 62.100 0.010 0.000 1.010 61 T CB 1.599 70.453 68.868 -0.023 0.000 1.214 61 T HN 0.761 nan 8.240 nan 0.000 0.533 62 T N -1.298 113.256 114.554 0.000 0.000 3.163 62 T HA 0.040 4.394 4.350 0.007 0.000 0.260 62 T C 1.599 176.303 174.700 0.007 0.000 1.156 62 T CA 0.736 62.836 62.100 -0.001 0.000 1.072 62 T CB -0.612 68.245 68.868 -0.019 0.000 0.937 62 T HN 0.457 nan 8.240 nan 0.000 0.528 63 S N 1.006 116.711 115.700 0.009 0.000 2.503 63 S HA 0.111 4.585 4.470 0.007 0.000 0.217 63 S C 0.545 175.168 174.600 0.038 0.000 0.999 63 S CA -0.179 58.028 58.200 0.011 0.000 0.914 63 S CB -0.008 63.188 63.200 -0.006 0.000 0.782 63 S HN 0.591 nan 8.310 nan 0.000 0.520 64 D N 1.461 121.903 120.400 0.069 0.000 2.387 64 D HA 0.426 5.069 4.640 0.007 0.000 0.251 64 D C 0.130 176.491 176.300 0.101 0.000 1.141 64 D CA -0.139 53.946 54.000 0.141 0.000 0.987 64 D CB 1.433 42.404 40.800 0.284 0.000 1.116 64 D HN 0.151 nan 8.370 nan 0.000 0.491 65 V N -2.514 117.459 119.914 0.099 0.000 2.962 65 V HA 0.614 4.738 4.120 0.007 0.000 0.313 65 V C -0.506 175.596 176.094 0.014 0.000 1.099 65 V CA -0.899 61.429 62.300 0.046 0.000 0.971 65 V CB 1.848 33.690 31.823 0.032 0.000 1.028 65 V HN 0.201 nan 8.190 nan 0.000 0.430 66 V N 3.409 123.329 119.914 0.010 0.000 2.370 66 V HA 0.472 4.596 4.120 0.007 0.000 0.279 66 V C -0.084 176.013 176.094 0.005 0.000 1.029 66 V CA -0.347 61.954 62.300 0.003 0.000 0.870 66 V CB 1.530 33.370 31.823 0.028 0.000 0.984 66 V HN 0.768 nan 8.190 nan 0.000 0.451 67 V N 5.242 125.149 119.914 -0.013 0.000 2.328 67 V HA 0.741 4.865 4.120 0.007 0.000 0.278 67 V C 0.445 176.555 176.094 0.027 0.000 1.021 67 V CA -0.342 61.950 62.300 -0.013 0.000 0.838 67 V CB 1.331 33.111 31.823 -0.073 0.000 0.999 67 V HN 0.964 nan 8.190 nan 0.000 0.447 68 A N 3.435 126.286 122.820 0.051 0.000 2.311 68 A HA 0.803 5.127 4.320 0.007 0.000 0.334 68 A C 1.104 178.733 177.584 0.073 0.000 1.139 68 A CA 0.025 52.110 52.037 0.080 0.000 0.830 68 A CB 1.119 20.172 19.000 0.089 0.000 1.234 68 A HN 1.983 nan 8.150 nan 0.000 0.483 69 G N -0.167 108.682 108.800 0.082 0.000 2.160 69 G HA2 -0.213 3.750 3.960 0.007 0.000 0.251 69 G HA3 -0.213 3.750 3.960 0.007 0.000 0.251 69 G C 0.070 175.038 174.900 0.113 0.000 1.008 69 G CA 0.753 45.895 45.100 0.071 0.000 0.724 69 G HN 1.069 nan 8.290 nan 0.000 0.514 70 E N -1.338 118.966 120.200 0.174 0.000 2.242 70 E HA 0.713 5.067 4.350 0.007 0.000 0.275 70 E C 0.598 177.472 176.600 0.456 0.000 1.002 70 E CA -0.946 55.580 56.400 0.210 0.000 0.841 70 E CB 0.588 30.305 29.700 0.030 0.000 1.109 70 E HN 0.246 nan 8.360 nan 0.000 0.394 71 F N 2.232 122.327 119.950 0.242 0.000 2.347 71 F HA 0.276 4.808 4.527 0.007 0.000 0.266 71 F C -0.179 175.820 175.800 0.333 0.000 0.884 71 F CA -0.120 58.047 58.000 0.280 0.000 1.123 71 F CB 0.586 39.649 39.000 0.104 0.000 1.098 71 F HN 0.407 nan 8.300 nan 0.000 0.803 72 D N 1.524 121.892 120.400 -0.052 0.000 2.454 72 D HA 0.182 4.826 4.640 0.007 0.000 0.225 72 D C 0.360 176.581 176.300 -0.132 0.000 1.081 72 D CA 0.011 53.894 54.000 -0.195 0.000 0.864 72 D CB 1.412 42.178 40.800 -0.057 0.000 1.040 72 D HN 0.437 nan 8.370 nan 0.000 0.517 73 Q N 1.804 121.459 119.800 -0.241 0.000 2.500 73 Q HA 0.009 4.352 4.340 0.007 0.000 0.213 73 Q C 1.528 177.417 176.000 -0.186 0.000 0.974 73 Q CA 0.606 56.223 55.803 -0.311 0.000 0.918 73 Q CB 0.434 28.849 28.738 -0.539 0.000 0.980 73 Q HN 0.504 nan 8.270 nan 0.000 0.505 74 G N 0.368 109.088 108.800 -0.132 0.000 2.838 74 G HA2 -0.047 3.917 3.960 0.007 0.000 0.210 74 G HA3 -0.047 3.917 3.960 0.007 0.000 0.210 74 G C 0.380 175.250 174.900 -0.050 0.000 1.153 74 G CA -0.176 44.874 45.100 -0.083 0.000 0.778 74 G HN 0.147 nan 8.290 nan 0.000 0.539 75 S N 0.599 116.275 115.700 -0.041 0.000 2.430 75 S HA 0.360 4.834 4.470 0.007 0.000 0.289 75 S C 1.673 176.265 174.600 -0.015 0.000 1.143 75 S CA 0.172 58.367 58.200 -0.010 0.000 1.067 75 S CB 1.077 64.292 63.200 0.025 0.000 0.964 75 S HN 0.309 nan 8.310 nan 0.000 0.485 76 S N 3.391 119.084 115.700 -0.010 0.000 2.470 76 S HA -0.056 4.418 4.470 0.007 0.000 0.225 76 S C 1.689 176.288 174.600 -0.002 0.000 1.006 76 S CA 0.714 58.907 58.200 -0.011 0.000 0.934 76 S CB -0.354 62.841 63.200 -0.009 0.000 0.778 76 S HN 0.812 nan 8.310 nan 0.000 0.517 77 S N 0.551 116.254 115.700 0.006 0.000 2.528 77 S HA 0.149 4.623 4.470 0.007 0.000 0.219 77 S C 0.511 175.120 174.600 0.016 0.000 0.985 77 S CA -0.357 57.849 58.200 0.010 0.000 0.914 77 S CB -0.533 62.674 63.200 0.012 0.000 0.776 77 S HN 0.640 nan 8.310 nan 0.000 0.526 78 E N 2.235 122.449 120.200 0.023 0.000 2.452 78 E HA 0.022 4.376 4.350 0.007 0.000 0.261 78 E C -0.587 176.029 176.600 0.027 0.000 0.987 78 E CA -0.097 56.325 56.400 0.037 0.000 0.926 78 E CB 0.422 30.156 29.700 0.057 0.000 0.934 78 E HN 0.086 nan 8.360 nan 0.000 0.452 79 K N 5.333 125.751 120.400 0.029 0.000 2.349 79 K HA 0.275 4.599 4.320 0.007 0.000 0.288 79 K C 0.172 176.790 176.600 0.030 0.000 1.058 79 K CA -0.020 56.282 56.287 0.024 0.000 0.953 79 K CB 0.094 32.606 32.500 0.021 0.000 0.997 79 K HN 0.473 nan 8.250 nan 0.000 0.477 80 I N -1.489 119.096 120.570 0.024 0.000 3.279 80 I HA 0.365 4.539 4.170 0.007 0.000 0.315 80 I C -0.989 175.143 176.117 0.026 0.000 1.187 80 I CA -1.216 60.100 61.300 0.026 0.000 0.953 80 I CB 2.170 40.176 38.000 0.011 0.000 1.279 80 I HN 0.259 nan 8.210 nan 0.000 0.465 81 Q N 2.034 121.853 119.800 0.032 0.000 2.357 81 Q HA 0.437 4.781 4.340 0.007 0.000 0.266 81 Q C -1.425 174.592 176.000 0.027 0.000 1.021 81 Q CA -0.729 55.096 55.803 0.036 0.000 0.784 81 Q CB 2.420 31.192 28.738 0.056 0.000 1.243 81 Q HN 0.431 nan 8.270 nan 0.000 0.465 82 K N 3.618 124.029 120.400 0.018 0.000 2.268 82 K HA 0.382 4.706 4.320 0.007 0.000 0.276 82 K C -0.775 175.836 176.600 0.017 0.000 1.080 82 K CA -0.173 56.121 56.287 0.012 0.000 0.910 82 K CB 0.697 33.201 32.500 0.006 0.000 1.163 82 K HN 0.378 nan 8.250 nan 0.000 0.465 83 L N 3.535 124.770 121.223 0.020 0.000 2.296 83 L HA 0.385 4.729 4.340 0.007 0.000 0.286 83 L C 0.145 177.021 176.870 0.011 0.000 1.023 83 L CA -0.900 53.951 54.840 0.018 0.000 0.812 83 L CB 1.255 43.332 42.059 0.029 0.000 1.223 83 L HN 0.356 nan 8.230 nan 0.000 0.421 84 K N 3.125 123.527 120.400 0.003 0.000 2.202 84 K HA 0.477 4.801 4.320 0.007 0.000 0.264 84 K C -0.614 175.978 176.600 -0.013 0.000 1.010 84 K CA -0.332 55.955 56.287 -0.000 0.000 0.940 84 K CB 1.242 33.740 32.500 -0.004 0.000 0.983 84 K HN 0.440 nan 8.250 nan 0.000 0.475 85 I N 2.168 122.732 120.570 -0.009 0.000 2.321 85 I HA 0.085 4.259 4.170 0.007 0.000 0.291 85 I C 0.915 177.012 176.117 -0.034 0.000 0.998 85 I CA -0.142 61.145 61.300 -0.022 0.000 1.227 85 I CB 1.699 39.702 38.000 0.005 0.000 1.368 85 I HN 0.778 nan 8.210 nan 0.000 0.466 86 A N 6.127 128.911 122.820 -0.061 0.000 1.898 86 A HA 0.079 4.403 4.320 0.007 0.000 0.214 86 A C 0.945 178.499 177.584 -0.051 0.000 1.183 86 A CA 1.136 53.140 52.037 -0.055 0.000 0.622 86 A CB 0.189 19.146 19.000 -0.072 0.000 0.824 86 A HN 0.699 nan 8.150 nan 0.000 0.444 87 K N -1.292 119.078 120.400 -0.051 0.000 2.546 87 K HA 0.538 4.862 4.320 0.007 0.000 0.264 87 K C -2.068 174.507 176.600 -0.043 0.000 0.937 87 K CA -0.554 55.682 56.287 -0.085 0.000 0.833 87 K CB 2.286 34.724 32.500 -0.105 0.000 1.378 87 K HN -0.034 nan 8.250 nan 0.000 0.432 88 V N 3.826 123.655 119.914 -0.142 0.000 2.417 88 V HA 0.496 4.620 4.120 0.007 0.000 0.291 88 V C -1.071 174.954 176.094 -0.116 0.000 1.024 88 V CA -0.586 61.715 62.300 0.001 0.000 0.861 88 V CB 1.041 32.873 31.823 0.014 0.000 0.985 88 V HN 0.568 nan 8.190 nan 0.000 0.436 89 F N 3.768 123.846 119.950 0.212 0.000 2.359 89 F HA 0.444 4.975 4.527 0.006 0.000 0.370 89 F C 0.409 176.445 175.800 0.394 0.000 1.077 89 F CA -0.638 57.541 58.000 0.299 0.000 1.136 89 F CB 1.083 40.282 39.000 0.333 0.000 1.387 89 F HN 0.333 nan 8.300 nan 0.000 0.468 90 K N 2.483 123.097 120.400 0.358 0.000 2.276 90 K HA 0.122 4.446 4.320 0.007 0.000 0.283 90 K C 0.328 177.068 176.600 0.234 0.000 1.044 90 K CA -0.555 55.871 56.287 0.231 0.000 0.944 90 K CB 0.554 33.111 32.500 0.095 0.000 1.012 90 K HN 0.408 nan 8.250 nan 0.000 0.472 91 N N 2.395 121.045 118.700 -0.082 0.000 2.411 91 N HA -0.093 4.651 4.740 0.007 0.000 0.265 91 N C 0.720 176.167 175.510 -0.105 0.000 1.266 91 N CA 0.425 53.191 53.050 -0.473 0.000 0.889 91 N CB 0.868 38.703 38.487 -1.086 0.000 1.069 91 N HN 0.720 nan 8.380 nan 0.000 0.476 92 S N 3.548 119.261 115.700 0.022 0.000 2.469 92 S HA -0.091 4.383 4.470 0.007 0.000 0.238 92 S C 1.130 175.740 174.600 0.017 0.000 0.998 92 S CA 0.914 59.152 58.200 0.064 0.000 0.957 92 S CB 0.000 63.265 63.200 0.108 0.000 0.764 92 S HN 0.627 nan 8.310 nan 0.000 0.514 93 K N 0.102 120.470 120.400 -0.053 0.000 2.444 93 K HA 0.137 4.461 4.320 0.007 0.000 0.193 93 K C -0.080 176.502 176.600 -0.030 0.000 1.024 93 K CA -0.326 55.931 56.287 -0.050 0.000 1.077 93 K CB -0.059 32.393 32.500 -0.079 0.000 0.833 93 K HN 0.524 nan 8.250 nan 0.000 0.517 94 Y N 2.776 123.001 120.300 -0.124 0.000 2.721 94 Y HA -0.071 4.483 4.550 0.006 0.000 0.329 94 Y C -0.006 175.861 175.900 -0.056 0.000 1.211 94 Y CA -0.467 57.579 58.100 -0.090 0.000 1.512 94 Y CB 0.101 38.517 38.460 -0.073 0.000 1.249 94 Y HN -0.043 nan 8.280 nan 0.000 0.549 95 N N 3.951 122.252 118.700 -0.664 0.000 2.485 95 N HA 0.034 4.777 4.740 0.007 0.000 0.243 95 N C 0.363 175.315 175.510 -0.931 0.000 0.987 95 N CA 0.369 53.070 53.050 -0.583 0.000 0.940 95 N CB 1.075 39.373 38.487 -0.315 0.000 1.122 95 N HN 0.782 nan 8.380 nan 0.000 0.509 96 S N 3.136 118.388 115.700 -0.747 0.000 2.547 96 S HA -0.013 4.461 4.470 0.007 0.000 0.235 96 S C 1.585 176.006 174.600 -0.299 0.000 0.980 96 S CA 0.384 58.278 58.200 -0.509 0.000 0.941 96 S CB -0.068 63.027 63.200 -0.176 0.000 0.763 96 S HN 0.592 nan 8.310 nan 0.000 0.532 97 L N 1.064 122.113 121.223 -0.290 0.000 2.349 97 L HA 0.117 4.461 4.340 0.007 0.000 0.200 97 L C 2.854 179.571 176.870 -0.254 0.000 1.064 97 L CA 1.185 55.894 54.840 -0.218 0.000 0.821 97 L CB -0.778 41.183 42.059 -0.164 0.000 1.027 97 L HN 0.489 nan 8.230 nan 0.000 0.476 98 T N -3.203 111.193 114.554 -0.264 0.000 3.057 98 T HA 0.195 4.549 4.350 0.007 0.000 0.254 98 T C 1.182 175.700 174.700 -0.302 0.000 1.094 98 T CA 0.102 62.047 62.100 -0.257 0.000 1.088 98 T CB 0.158 68.927 68.868 -0.166 0.000 0.934 98 T HN 0.252 nan 8.240 nan 0.000 0.497 99 I N -0.444 119.940 120.570 -0.310 0.000 5.582 99 I HA -0.230 3.944 4.170 0.007 0.000 0.139 99 I C 0.125 176.263 176.117 0.036 0.000 1.814 99 I CA 0.076 61.278 61.300 -0.162 0.000 2.037 99 I CB -2.592 35.228 38.000 -0.300 0.000 3.362 99 I HN 0.302 nan 8.210 nan 0.000 0.169 100 N N 2.642 121.311 118.700 -0.052 0.000 2.503 100 N HA 0.227 4.971 4.740 0.007 0.000 0.267 100 N C 0.592 176.152 175.510 0.084 0.000 1.214 100 N CA 0.555 53.628 53.050 0.039 0.000 0.959 100 N CB 0.362 38.845 38.487 -0.007 0.000 1.142 100 N HN 0.247 nan 8.380 nan 0.000 0.455 101 N N 0.682 119.441 118.700 0.099 0.000 2.758 101 N HA -0.218 4.526 4.740 0.007 0.000 0.248 101 N C -1.293 174.316 175.510 0.165 0.000 1.076 101 N CA 0.463 53.552 53.050 0.064 0.000 0.696 101 N CB -1.207 37.272 38.487 -0.014 0.000 0.979 101 N HN 0.633 nan 8.380 nan 0.000 0.550 102 D N 1.229 121.761 120.400 0.219 0.000 2.608 102 D HA 0.382 5.025 4.640 0.007 0.000 0.224 102 D C 0.032 176.334 176.300 0.002 0.000 1.123 102 D CA 0.098 54.204 54.000 0.177 0.000 1.030 102 D CB -0.256 40.726 40.800 0.302 0.000 1.093 102 D HN 0.509 nan 8.370 nan 0.000 0.497 103 I N 0.648 121.155 120.570 -0.105 0.000 2.722 103 I HA 0.387 4.561 4.170 0.007 0.000 0.295 103 I C -1.240 174.828 176.117 -0.080 0.000 1.161 103 I CA -0.313 60.945 61.300 -0.071 0.000 1.032 103 I CB 2.210 40.192 38.000 -0.030 0.000 1.244 103 I HN -0.081 nan 8.210 nan 0.000 0.421 104 T N 6.983 121.601 114.554 0.106 0.000 2.933 104 T HA 0.538 4.892 4.350 0.007 0.000 0.305 104 T C -0.994 173.938 174.700 0.388 0.000 1.092 104 T CA -0.442 61.812 62.100 0.257 0.000 1.008 104 T CB 1.761 70.698 68.868 0.114 0.000 1.102 104 T HN 0.339 nan 8.240 nan 0.000 0.469 105 L N 3.183 124.737 121.223 0.550 0.000 2.325 105 L HA 0.647 4.991 4.340 0.007 0.000 0.278 105 L C -0.848 176.321 176.870 0.499 0.000 1.023 105 L CA -0.940 54.199 54.840 0.499 0.000 0.811 105 L CB 1.310 43.628 42.059 0.431 0.000 1.249 105 L HN 0.382 nan 8.230 nan 0.000 0.431 106 L N 3.697 125.142 121.223 0.370 0.000 2.325 106 L HA 0.481 4.825 4.340 0.007 0.000 0.281 106 L C -0.293 176.526 176.870 -0.085 0.000 1.004 106 L CA -0.551 54.400 54.840 0.184 0.000 0.823 106 L CB 1.690 43.820 42.059 0.118 0.000 1.236 106 L HN 0.499 nan 8.230 nan 0.000 0.415 107 K N 4.571 124.772 120.400 -0.332 0.000 2.253 107 K HA 0.511 4.835 4.320 0.007 0.000 0.277 107 K C -0.677 175.673 176.600 -0.418 0.000 1.053 107 K CA -0.577 55.166 56.287 -0.907 0.000 0.892 107 K CB 0.854 32.754 32.500 -0.999 0.000 1.102 107 K HN 0.538 nan 8.250 nan 0.000 0.469 108 L N 3.173 124.171 121.223 -0.375 0.000 2.439 108 L HA 0.076 4.420 4.340 0.007 0.000 0.269 108 L C 1.378 178.159 176.870 -0.149 0.000 1.179 108 L CA -0.321 54.413 54.840 -0.178 0.000 0.828 108 L CB 1.353 43.349 42.059 -0.106 0.000 1.106 108 L HN 0.781 nan 8.230 nan 0.000 0.467 109 S N 0.035 115.684 115.700 -0.084 0.000 2.387 109 S HA -0.044 4.430 4.470 0.007 0.000 0.226 109 S C 0.631 175.203 174.600 -0.047 0.000 1.026 109 S CA 0.888 59.052 58.200 -0.060 0.000 0.972 109 S CB 0.086 63.264 63.200 -0.036 0.000 0.814 109 S HN 0.758 nan 8.310 nan 0.000 0.477 110 T N 1.728 116.259 114.554 -0.037 0.000 2.861 110 T HA 0.656 5.010 4.350 0.007 0.000 0.287 110 T C -0.330 174.359 174.700 -0.018 0.000 1.003 110 T CA -0.640 61.447 62.100 -0.022 0.000 0.977 110 T CB 1.743 70.607 68.868 -0.007 0.000 0.996 110 T HN 0.262 nan 8.240 nan 0.000 0.448 111 A N 2.297 125.106 122.820 -0.019 0.000 2.483 111 A HA 0.634 4.958 4.320 0.007 0.000 0.238 111 A C 0.757 178.357 177.584 0.027 0.000 1.070 111 A CA -0.364 51.665 52.037 -0.013 0.000 0.770 111 A CB -0.173 18.804 19.000 -0.039 0.000 1.008 111 A HN 1.086 nan 8.150 nan 0.000 0.497 112 A N 1.642 124.508 122.820 0.077 0.000 2.371 112 A HA 0.516 4.840 4.320 0.007 0.000 0.257 112 A C 0.691 178.383 177.584 0.179 0.000 1.089 112 A CA 0.310 52.446 52.037 0.166 0.000 0.794 112 A CB 0.218 19.399 19.000 0.302 0.000 1.029 112 A HN 1.380 nan 8.150 nan 0.000 0.488 113 S N 2.073 117.889 115.700 0.193 0.000 2.415 113 S HA 0.502 4.976 4.470 0.007 0.000 0.313 113 S C -0.537 174.262 174.600 0.331 0.000 1.067 113 S CA -0.577 57.733 58.200 0.183 0.000 1.099 113 S CB -0.802 62.463 63.200 0.108 0.000 0.991 113 S HN 0.359 nan 8.310 nan 0.000 0.491 114 F N 3.981 123.960 119.950 0.048 0.000 2.572 114 F HA 0.352 4.883 4.527 0.007 0.000 0.370 114 F C 1.386 177.211 175.800 0.042 0.000 1.103 114 F CA -0.296 57.737 58.000 0.055 0.000 1.286 114 F CB 0.391 39.430 39.000 0.064 0.000 1.105 114 F HN 0.713 nan 8.300 nan 0.000 0.583 115 S N 1.862 117.649 115.700 0.144 0.000 2.800 115 S HA 0.213 4.687 4.470 0.007 0.000 0.293 115 S C 0.606 175.212 174.600 0.009 0.000 1.209 115 S CA -0.611 57.634 58.200 0.075 0.000 0.884 115 S CB 1.375 64.611 63.200 0.060 0.000 1.244 115 S HN 0.561 nan 8.310 nan 0.000 0.540 116 Q N 0.506 120.303 119.800 -0.004 0.000 2.112 116 Q HA -0.162 4.182 4.340 0.007 0.000 0.206 116 Q C 1.506 177.461 176.000 -0.076 0.000 0.987 116 Q CA 2.527 58.307 55.803 -0.038 0.000 0.858 116 Q CB -0.597 28.117 28.738 -0.039 0.000 0.905 116 Q HN 0.928 nan 8.270 nan 0.000 0.420 117 T N -3.372 111.142 114.554 -0.066 0.000 3.069 117 T HA 0.332 4.686 4.350 0.007 0.000 0.252 117 T C -0.029 174.618 174.700 -0.090 0.000 1.053 117 T CA -0.335 61.712 62.100 -0.088 0.000 0.964 117 T CB 0.842 69.678 68.868 -0.053 0.000 1.005 117 T HN -0.007 nan 8.240 nan 0.000 0.532 118 V N 2.500 122.356 119.914 -0.097 0.000 2.488 118 V HA 0.722 4.846 4.120 0.007 0.000 0.293 118 V C -0.528 175.324 176.094 -0.403 0.000 1.027 118 V CA -0.513 61.701 62.300 -0.143 0.000 0.862 118 V CB 1.278 33.089 31.823 -0.021 0.000 1.008 118 V HN 0.693 nan 8.190 nan 0.000 0.428 119 S N 3.264 118.647 115.700 -0.530 0.000 2.672 119 S HA 0.941 5.415 4.470 0.007 0.000 0.271 119 S C -0.497 173.834 174.600 -0.448 0.000 1.171 119 S CA -0.344 57.282 58.200 -0.956 0.000 0.817 119 S CB 1.870 64.848 63.200 -0.371 0.000 1.150 119 S HN 1.304 nan 8.310 nan 0.000 0.478 120 A N 0.197 122.865 122.820 -0.253 0.000 2.279 120 A HA 0.824 5.148 4.320 0.007 0.000 0.303 120 A C -0.076 177.600 177.584 0.154 0.000 1.108 120 A CA -0.742 51.375 52.037 0.134 0.000 0.830 120 A CB 0.975 20.145 19.000 0.284 0.000 1.106 120 A HN 1.403 nan 8.150 nan 0.000 0.493 121 V N 0.742 120.607 119.914 -0.083 0.000 2.837 121 V HA 0.423 4.547 4.120 0.007 0.000 0.310 121 V C 0.164 176.093 176.094 -0.275 0.000 1.059 121 V CA -0.664 61.260 62.300 -0.625 0.000 1.004 121 V CB 1.166 32.278 31.823 -1.185 0.000 1.045 121 V HN 1.050 nan 8.190 nan 0.000 0.465 122 c N 5.371 123.819 118.600 -0.253 0.000 2.520 122 c HA 0.510 5.084 4.570 0.007 0.000 0.376 122 c C 0.168 174.202 174.090 -0.094 0.000 1.268 122 c CA -0.730 55.537 56.329 -0.103 0.000 2.414 122 c CB 0.060 42.540 42.510 -0.049 0.000 2.521 122 c HN 0.739 nan 8.230 nan 0.000 0.618 123 L N 4.002 125.201 121.223 -0.040 0.000 2.325 123 L HA 0.488 4.832 4.340 0.007 0.000 0.278 123 L C -1.740 175.143 176.870 0.021 0.000 1.023 123 L CA -1.221 53.606 54.840 -0.020 0.000 0.811 123 L CB 1.625 43.673 42.059 -0.019 0.000 1.249 123 L HN 0.523 nan 8.230 nan 0.000 0.431 124 P HA 0.248 nan 4.420 nan 0.000 0.282 124 P C -0.923 176.427 177.300 0.083 0.000 1.287 124 P CA -0.513 62.665 63.100 0.130 0.000 0.792 124 P CB 1.180 33.038 31.700 0.263 0.000 1.163 125 S N -0.651 115.094 115.700 0.075 0.000 2.617 125 S HA 0.389 4.863 4.470 0.007 0.000 0.283 125 S C 1.466 176.098 174.600 0.053 0.000 1.189 125 S CA -0.135 58.088 58.200 0.038 0.000 1.036 125 S CB 1.174 64.379 63.200 0.009 0.000 1.014 125 S HN 0.573 nan 8.310 nan 0.000 0.522 126 A N 1.929 124.775 122.820 0.042 0.000 2.024 126 A HA -0.107 4.217 4.320 0.007 0.000 0.220 126 A C 2.046 179.653 177.584 0.039 0.000 1.164 126 A CA 1.903 53.971 52.037 0.051 0.000 0.643 126 A CB -0.750 18.276 19.000 0.043 0.000 0.806 126 A HN 0.845 nan 8.150 nan 0.000 0.451 127 S N -0.643 115.066 115.700 0.015 0.000 2.548 127 S HA 0.070 4.544 4.470 0.007 0.000 0.215 127 S C 0.038 174.613 174.600 -0.042 0.000 0.976 127 S CA -0.281 57.915 58.200 -0.007 0.000 0.908 127 S CB -0.225 62.965 63.200 -0.016 0.000 0.781 127 S HN 0.405 nan 8.310 nan 0.000 0.519 128 D N 2.834 123.203 120.400 -0.051 0.000 2.449 128 D HA 0.249 4.893 4.640 0.007 0.000 0.236 128 D C -0.655 175.498 176.300 -0.245 0.000 1.149 128 D CA 0.761 54.648 54.000 -0.188 0.000 0.878 128 D CB 0.674 41.360 40.800 -0.190 0.000 1.198 128 D HN 0.388 nan 8.370 nan 0.000 0.446 129 D N 0.738 120.885 120.400 -0.421 0.000 2.481 129 D HA 0.263 4.907 4.640 0.007 0.000 0.246 129 D C -1.353 174.650 176.300 -0.495 0.000 1.109 129 D CA -0.556 53.263 54.000 -0.301 0.000 0.845 129 D CB 0.331 41.035 40.800 -0.160 0.000 1.160 129 D HN 0.043 nan 8.370 nan 0.000 0.534 130 F N 2.866 122.809 119.950 -0.012 0.000 2.311 130 F HA 0.535 5.066 4.527 0.007 0.000 0.371 130 F C 0.914 176.706 175.800 -0.013 0.000 1.083 130 F CA -0.965 57.025 58.000 -0.017 0.000 1.113 130 F CB 1.116 40.104 39.000 -0.020 0.000 1.349 130 F HN 0.380 nan 8.300 nan 0.000 0.470 131 A N 2.278 125.146 122.820 0.080 0.000 2.555 131 A HA 0.492 4.816 4.320 0.007 0.000 0.233 131 A C 0.572 178.195 177.584 0.065 0.000 1.060 131 A CA -0.029 52.039 52.037 0.052 0.000 0.759 131 A CB -0.073 18.939 19.000 0.019 0.000 0.995 131 A HN 0.879 nan 8.150 nan 0.000 0.506 132 A N 0.834 123.681 122.820 0.046 0.000 2.445 132 A HA 0.516 4.840 4.320 0.007 0.000 0.242 132 A C 1.646 179.248 177.584 0.030 0.000 1.075 132 A CA 0.747 52.807 52.037 0.038 0.000 0.777 132 A CB -0.478 18.541 19.000 0.033 0.000 1.013 132 A HN 2.772 nan 8.150 nan 0.000 0.493 133 G N 1.176 109.991 108.800 0.025 0.000 2.217 133 G HA2 -0.216 3.748 3.960 0.007 0.000 0.246 133 G HA3 -0.216 3.748 3.960 0.007 0.000 0.246 133 G C 0.514 175.428 174.900 0.023 0.000 0.990 133 G CA 0.420 45.532 45.100 0.020 0.000 0.627 133 G HN 1.239 nan 8.290 nan 0.000 0.522 134 T N 2.708 117.282 114.554 0.034 0.000 2.867 134 T HA 0.432 4.786 4.350 0.007 0.000 0.297 134 T C 0.619 175.339 174.700 0.033 0.000 0.989 134 T CA 1.000 63.127 62.100 0.044 0.000 1.159 134 T CB 0.990 69.907 68.868 0.082 0.000 0.928 134 T HN 0.264 nan 8.240 nan 0.000 0.538 135 T N 4.461 119.038 114.554 0.039 0.000 2.737 135 T HA 0.334 4.688 4.350 0.007 0.000 0.296 135 T C 0.371 175.115 174.700 0.073 0.000 0.922 135 T CA -0.527 61.600 62.100 0.045 0.000 1.079 135 T CB -0.226 68.675 68.868 0.055 0.000 0.892 135 T HN 0.691 nan 8.240 nan 0.000 0.514 136 c N 2.905 121.534 118.600 0.049 0.000 3.017 136 c HA 0.887 5.461 4.570 0.007 0.000 0.380 136 c C -0.026 174.098 174.090 0.057 0.000 1.583 136 c CA -0.666 55.716 56.329 0.087 0.000 1.616 136 c CB 1.561 44.053 42.510 -0.031 0.000 2.145 136 c HN 0.598 nan 8.230 nan 0.000 0.466 137 V N 0.248 120.163 119.914 0.001 0.000 2.841 137 V HA 0.706 4.830 4.120 0.007 0.000 0.310 137 V C -0.344 175.549 176.094 -0.335 0.000 1.090 137 V CA -0.155 62.035 62.300 -0.183 0.000 0.930 137 V CB 1.947 33.587 31.823 -0.305 0.000 1.014 137 V HN 0.964 nan 8.190 nan 0.000 0.425 138 T N 2.288 116.640 114.554 -0.338 0.000 2.907 138 T HA 0.829 5.183 4.350 0.007 0.000 0.292 138 T C -0.466 173.985 174.700 -0.415 0.000 1.043 138 T CA 0.051 61.963 62.100 -0.313 0.000 1.003 138 T CB 1.668 70.457 68.868 -0.133 0.000 1.084 138 T HN 1.098 nan 8.240 nan 0.000 0.483 139 T N 0.080 114.379 114.554 -0.426 0.000 2.883 139 T HA 0.934 5.288 4.350 0.007 0.000 0.296 139 T C 0.003 174.492 174.700 -0.352 0.000 1.117 139 T CA -0.268 61.529 62.100 -0.505 0.000 1.006 139 T CB 1.599 69.968 68.868 -0.831 0.000 1.191 139 T HN 1.272 nan 8.240 nan 0.000 0.508 140 G N -0.723 107.809 108.800 -0.446 0.000 2.337 140 G HA2 0.326 4.290 3.960 0.007 0.000 0.298 140 G HA3 0.326 4.290 3.960 0.007 0.000 0.298 140 G C -1.375 173.260 174.900 -0.442 0.000 1.335 140 G CA -0.815 44.068 45.100 -0.363 0.000 0.875 140 G HN 0.698 nan 8.290 nan 0.000 0.579 141 W N 1.288 122.484 121.300 -0.173 0.000 3.067 141 W HA 0.412 5.076 4.660 0.005 0.000 0.417 141 W C 1.106 177.502 176.519 -0.204 0.000 1.029 141 W CA -0.166 57.009 57.345 -0.285 0.000 1.992 141 W CB 0.868 29.978 29.460 -0.584 0.000 1.122 141 W HN 0.839 nan 8.180 nan 0.000 0.681 142 G N 0.894 109.739 108.800 0.075 0.000 2.667 142 G HA2 0.306 4.270 3.960 0.007 0.000 0.250 142 G HA3 0.306 4.270 3.960 0.007 0.000 0.250 142 G C 0.088 175.024 174.900 0.060 0.000 1.212 142 G CA -0.649 44.508 45.100 0.094 0.000 0.874 142 G HN -0.011 nan 8.290 nan 0.000 0.561 143 L N -0.184 121.089 121.223 0.082 0.000 2.543 143 L HA 0.044 4.388 4.340 0.007 0.000 0.285 143 L C 1.985 178.889 176.870 0.057 0.000 1.236 143 L CA 0.551 55.434 54.840 0.071 0.000 0.871 143 L CB 0.517 42.640 42.059 0.106 0.000 1.121 143 L HN 0.799 nan 8.230 nan 0.000 0.501 144 T N -0.887 113.691 114.554 0.039 0.000 3.040 144 T HA 0.133 4.487 4.350 0.007 0.000 0.250 144 T C 0.550 175.277 174.700 0.046 0.000 1.058 144 T CA -0.254 61.863 62.100 0.029 0.000 0.988 144 T CB 0.201 69.075 68.868 0.009 0.000 0.993 144 T HN 0.601 nan 8.240 nan 0.000 0.519 145 R N -0.199 120.338 120.500 0.062 0.000 2.522 145 R HA 0.466 4.810 4.340 0.007 0.000 0.283 145 R C -1.819 174.545 176.300 0.106 0.000 1.074 145 R CA -0.827 55.319 56.100 0.077 0.000 0.925 145 R CB 1.441 31.766 30.300 0.043 0.000 1.205 145 R HN 0.236 nan 8.270 nan 0.000 0.436 150 N N 1.034 119.739 118.700 0.008 0.000 2.443 150 N HA 0.569 5.313 4.740 0.007 0.000 0.293 150 N C 0.227 175.742 175.510 0.008 0.000 1.159 150 N CA 0.714 53.775 53.050 0.018 0.000 0.904 150 N CB 1.425 39.920 38.487 0.014 0.000 1.214 150 N HN 0.295 nan 8.380 nan 0.000 0.513 151 T N -0.256 114.295 114.554 -0.005 0.000 2.898 151 T HA 0.359 4.713 4.350 0.007 0.000 0.301 151 T C -2.297 172.389 174.700 -0.023 0.000 1.049 151 T CA -1.159 60.931 62.100 -0.015 0.000 1.095 151 T CB 0.697 69.528 68.868 -0.061 0.000 0.976 151 T HN 0.422 nan 8.240 nan 0.000 0.539 152 P HA 0.256 nan 4.420 nan 0.000 0.275 152 P C -0.009 177.295 177.300 0.007 0.000 1.227 152 P CA -0.331 62.766 63.100 -0.006 0.000 0.781 152 P CB 0.824 32.517 31.700 -0.012 0.000 0.906 153 D N 1.593 121.970 120.400 -0.039 0.000 2.117 153 D HA -0.052 4.592 4.640 0.007 0.000 0.198 153 D C 0.752 177.018 176.300 -0.057 0.000 0.982 153 D CA 1.340 55.293 54.000 -0.079 0.000 0.828 153 D CB 0.134 40.877 40.800 -0.096 0.000 0.967 153 D HN 0.408 nan 8.370 nan 0.000 0.464 154 R N 0.493 120.906 120.500 -0.145 0.000 2.404 154 R HA 0.321 4.665 4.340 0.007 0.000 0.291 154 R C -0.243 175.852 176.300 -0.341 0.000 1.025 154 R CA -1.024 54.813 56.100 -0.437 0.000 0.991 154 R CB 1.349 31.286 30.300 -0.605 0.000 1.053 154 R HN -0.025 nan 8.270 nan 0.000 0.479 155 L N 2.793 123.692 121.223 -0.539 0.000 2.578 155 L HA -0.086 4.258 4.340 0.007 0.000 0.279 155 L C -0.321 176.302 176.870 -0.412 0.000 1.227 155 L CA 1.138 55.459 54.840 -0.864 0.000 0.900 155 L CB 0.316 41.957 42.059 -0.696 0.000 1.144 155 L HN 0.467 nan 8.230 nan 0.000 0.496 156 Q N 4.393 123.926 119.800 -0.445 0.000 2.241 156 Q HA 0.518 4.861 4.340 0.007 0.000 0.262 156 Q C -1.029 174.818 176.000 -0.255 0.000 1.014 156 Q CA -0.592 55.071 55.803 -0.233 0.000 0.885 156 Q CB 2.004 30.634 28.738 -0.179 0.000 1.311 156 Q HN 0.780 nan 8.270 nan 0.000 0.461 157 Q N -1.137 118.566 119.800 -0.162 0.000 2.511 157 Q HA 0.898 5.242 4.340 0.007 0.000 0.289 157 Q C -1.778 174.145 176.000 -0.130 0.000 1.021 157 Q CA -1.220 54.453 55.803 -0.216 0.000 0.785 157 Q CB 2.224 30.901 28.738 -0.101 0.000 1.472 157 Q HN 0.551 nan 8.270 nan 0.000 0.411 158 A N 0.918 123.647 122.820 -0.153 0.000 2.540 158 A HA 0.629 4.953 4.320 0.007 0.000 0.297 158 A C -1.225 176.314 177.584 -0.076 0.000 1.056 158 A CA -0.677 51.311 52.037 -0.081 0.000 0.700 158 A CB 2.141 21.102 19.000 -0.066 0.000 1.280 158 A HN 0.557 nan 8.150 nan 0.000 0.398 159 S N 1.289 116.976 115.700 -0.021 0.000 2.525 159 S HA 0.772 5.246 4.470 0.007 0.000 0.278 159 S C -0.204 174.390 174.600 -0.011 0.000 1.234 159 S CA -0.371 57.831 58.200 0.004 0.000 1.058 159 S CB 0.482 63.712 63.200 0.050 0.000 0.983 159 S HN 1.210 nan 8.310 nan 0.000 0.495 160 L N 0.675 121.885 121.223 -0.022 0.000 2.518 160 L HA 0.798 5.142 4.340 0.007 0.000 0.257 160 L C -3.181 173.669 176.870 -0.033 0.000 0.980 160 L CA -2.407 52.415 54.840 -0.030 0.000 0.837 160 L CB 2.399 44.430 42.059 -0.046 0.000 1.410 160 L HN 0.323 nan 8.230 nan 0.000 0.410 161 P HA 0.377 nan 4.420 nan 0.000 0.286 161 P C -0.930 176.349 177.300 -0.035 0.000 1.261 161 P CA -0.479 62.610 63.100 -0.018 0.000 0.821 161 P CB 1.880 33.578 31.700 -0.002 0.000 1.013 162 L N 2.648 123.854 121.223 -0.030 0.000 2.397 162 L HA 0.315 4.659 4.340 0.007 0.000 0.271 162 L C 0.653 177.524 176.870 0.000 0.000 1.148 162 L CA -0.504 54.316 54.840 -0.033 0.000 0.825 162 L CB 0.035 42.086 42.059 -0.013 0.000 1.117 162 L HN 0.235 nan 8.230 nan 0.000 0.456 163 L N 1.669 122.899 121.223 0.011 0.000 2.334 163 L HA 0.428 4.772 4.340 0.007 0.000 0.272 163 L C 0.399 177.293 176.870 0.040 0.000 1.020 163 L CA -0.642 54.215 54.840 0.029 0.000 0.812 163 L CB 1.957 44.040 42.059 0.039 0.000 1.264 163 L HN 0.674 nan 8.230 nan 0.000 0.439 164 S N 0.028 115.753 115.700 0.043 0.000 2.585 164 S HA 0.147 4.621 4.470 0.007 0.000 0.273 164 S C 0.759 175.395 174.600 0.059 0.000 1.339 164 S CA -0.735 57.493 58.200 0.047 0.000 1.028 164 S CB 0.871 64.095 63.200 0.041 0.000 0.906 164 S HN 0.610 nan 8.310 nan 0.000 0.528 165 N N 1.930 120.667 118.700 0.062 0.000 2.149 165 N HA -0.109 4.635 4.740 0.007 0.000 0.188 165 N C 1.622 177.180 175.510 0.081 0.000 1.019 165 N CA 1.760 54.855 53.050 0.076 0.000 0.857 165 N CB -1.004 37.525 38.487 0.070 0.000 0.997 165 N HN 0.750 nan 8.380 nan 0.000 0.426 166 T N 1.821 116.414 114.554 0.064 0.000 2.708 166 T HA -0.050 4.304 4.350 0.007 0.000 0.266 166 T C 1.606 176.346 174.700 0.066 0.000 1.037 166 T CA 0.916 63.052 62.100 0.060 0.000 1.146 166 T CB -0.127 68.768 68.868 0.045 0.000 0.865 166 T HN 0.281 nan 8.240 nan 0.000 0.435 167 N N 0.478 119.215 118.700 0.062 0.000 2.270 167 N HA -0.049 4.695 4.740 0.007 0.000 0.181 167 N C 2.124 177.686 175.510 0.087 0.000 1.016 167 N CA 0.591 53.677 53.050 0.061 0.000 0.870 167 N CB -0.690 37.824 38.487 0.046 0.000 0.979 167 N HN 0.363 nan 8.380 nan 0.000 0.431 168 c N 1.791 120.458 118.600 0.111 0.000 2.453 168 c HA 0.005 4.579 4.570 0.007 0.000 0.277 168 c C 2.324 176.554 174.090 0.234 0.000 1.262 168 c CA 0.722 57.157 56.329 0.178 0.000 1.718 168 c CB -0.688 41.931 42.510 0.183 0.000 2.031 168 c HN 0.388 nan 8.230 nan 0.000 0.480 169 K N 0.346 120.859 120.400 0.188 0.000 2.360 169 K HA -0.118 4.206 4.320 0.007 0.000 0.201 169 K C 1.949 178.629 176.600 0.133 0.000 1.046 169 K CA 1.017 57.416 56.287 0.186 0.000 0.945 169 K CB -0.140 32.441 32.500 0.135 0.000 0.750 169 K HN 0.573 nan 8.250 nan 0.000 0.464 170 K N -0.415 120.048 120.400 0.105 0.000 2.281 170 K HA -0.194 4.130 4.320 0.007 0.000 0.203 170 K C 1.558 178.188 176.600 0.050 0.000 1.046 170 K CA 1.325 57.651 56.287 0.065 0.000 0.938 170 K CB -0.019 32.515 32.500 0.057 0.000 0.737 170 K HN 0.242 nan 8.250 nan 0.000 0.458 171 Y N -1.512 118.739 120.300 -0.082 0.000 2.472 171 Y HA 0.011 4.564 4.550 0.005 0.000 0.288 171 Y C 1.147 176.902 175.900 -0.242 0.000 1.154 171 Y CA 0.340 58.290 58.100 -0.250 0.000 1.238 171 Y CB 0.087 38.276 38.460 -0.453 0.000 1.287 171 Y HN -0.022 nan 8.280 nan 0.000 0.524 172 W N 1.434 122.889 121.300 0.258 0.000 3.047 172 W HA 0.296 4.959 4.660 0.006 0.000 0.250 172 W C 1.706 178.296 176.519 0.118 0.000 1.314 172 W CA 0.760 58.233 57.345 0.214 0.000 1.540 172 W CB -0.322 29.328 29.460 0.315 0.000 1.127 172 W HN 0.444 nan 8.180 nan 0.000 0.679 173 G N 1.392 110.344 108.800 0.252 0.000 2.614 173 G HA2 -0.494 3.470 3.960 0.007 0.000 0.303 173 G HA3 -0.494 3.470 3.960 0.007 0.000 0.303 173 G C 0.985 175.993 174.900 0.180 0.000 1.270 173 G CA 1.773 46.971 45.100 0.162 0.000 0.988 173 G HN 0.302 nan 8.290 nan 0.000 0.551 174 T N -0.888 113.743 114.554 0.128 0.000 3.163 174 T HA 0.190 4.544 4.350 0.007 0.000 0.260 174 T C 1.750 176.520 174.700 0.116 0.000 1.156 174 T CA 1.602 63.764 62.100 0.104 0.000 1.072 174 T CB 0.055 68.959 68.868 0.060 0.000 0.937 174 T HN 0.465 nan 8.240 nan 0.000 0.528 175 K N 0.827 121.335 120.400 0.181 0.000 2.366 175 K HA 0.194 4.518 4.320 0.007 0.000 0.198 175 K C 0.604 177.341 176.600 0.229 0.000 1.044 175 K CA 0.081 56.463 56.287 0.158 0.000 0.973 175 K CB -0.043 32.582 32.500 0.209 0.000 0.767 175 K HN 0.427 nan 8.250 nan 0.000 0.475 176 I N 3.019 123.739 120.570 0.250 0.000 2.379 176 I HA 0.046 4.220 4.170 0.007 0.000 0.290 176 I C 0.590 176.793 176.117 0.143 0.000 1.063 176 I CA -0.268 61.162 61.300 0.216 0.000 1.351 176 I CB 0.386 38.503 38.000 0.194 0.000 1.410 176 I HN -0.182 nan 8.210 nan 0.000 0.505 177 K N 4.603 125.082 120.400 0.132 0.000 2.210 177 K HA 0.227 4.551 4.320 0.007 0.000 0.236 177 K C 0.873 177.519 176.600 0.078 0.000 1.016 177 K CA -0.568 55.771 56.287 0.086 0.000 0.913 177 K CB 0.790 33.329 32.500 0.064 0.000 1.141 177 K HN 0.453 nan 8.250 nan 0.000 0.462 178 D N -0.441 119.994 120.400 0.058 0.000 2.309 178 D HA -0.102 4.542 4.640 0.007 0.000 0.212 178 D C 0.695 177.030 176.300 0.059 0.000 0.968 178 D CA 0.844 54.876 54.000 0.055 0.000 0.882 178 D CB -0.056 40.770 40.800 0.043 0.000 0.918 178 D HN 0.375 nan 8.370 nan 0.000 0.503 179 A N -0.384 122.474 122.820 0.063 0.000 2.610 179 A HA 0.452 4.776 4.320 0.007 0.000 0.286 179 A C 0.333 177.967 177.584 0.084 0.000 1.306 179 A CA -0.513 51.564 52.037 0.067 0.000 0.942 179 A CB -0.400 18.633 19.000 0.055 0.000 1.112 179 A HN 0.162 nan 8.150 nan 0.000 0.527 180 M N -0.091 119.560 119.600 0.085 0.000 2.535 180 M HA 0.606 5.090 4.480 0.007 0.000 0.314 180 M C -0.948 175.389 176.300 0.062 0.000 1.153 180 M CA -0.403 54.945 55.300 0.080 0.000 0.924 180 M CB 2.524 35.180 32.600 0.094 0.000 1.710 180 M HN 0.262 nan 8.290 nan 0.000 0.451 181 I N 1.188 121.792 120.570 0.057 0.000 2.619 181 I HA 0.530 4.704 4.170 0.007 0.000 0.292 181 I C -1.331 174.829 176.117 0.072 0.000 1.100 181 I CA -0.471 60.861 61.300 0.054 0.000 1.043 181 I CB 1.374 39.397 38.000 0.039 0.000 1.239 181 I HN 0.786 nan 8.210 nan 0.000 0.420 182 c N 5.854 124.487 118.600 0.054 0.000 2.358 182 c HA 1.006 5.580 4.570 0.007 0.000 0.354 182 c C 0.296 174.417 174.090 0.053 0.000 1.183 182 c CA -0.255 56.121 56.329 0.079 0.000 2.150 182 c CB 0.715 43.264 42.510 0.065 0.000 2.361 182 c HN 0.869 nan 8.230 nan 0.000 0.535 183 A N 0.907 123.782 122.820 0.093 0.000 2.605 183 A HA 0.908 5.232 4.320 0.007 0.000 0.294 183 A C -0.142 177.478 177.584 0.060 0.000 1.062 183 A CA 0.437 52.467 52.037 -0.011 0.000 0.682 183 A CB 0.788 19.634 19.000 -0.256 0.000 1.278 183 A HN 2.589 nan 8.150 nan 0.000 0.410 184 G N -0.045 108.761 108.800 0.010 0.000 2.443 184 G HA2 0.500 4.464 3.960 0.007 0.000 0.209 184 G HA3 0.500 4.464 3.960 0.007 0.000 0.209 184 G C 0.864 175.762 174.900 -0.004 0.000 1.176 184 G CA 1.609 46.719 45.100 0.016 0.000 1.074 184 G HN 2.680 nan 8.290 nan 0.000 0.577 185 A N -1.935 120.873 122.820 -0.020 0.000 2.816 185 A HA 0.074 4.398 4.320 0.007 0.000 0.270 185 A C 1.665 179.227 177.584 -0.037 0.000 1.413 185 A CA 2.772 54.776 52.037 -0.055 0.000 0.866 185 A CB -2.166 16.790 19.000 -0.073 0.000 1.032 185 A HN 2.632 nan 8.150 nan 0.000 0.642 186 S N -2.453 113.234 115.700 -0.022 0.000 2.663 186 S HA 0.511 4.985 4.470 0.007 0.000 0.243 186 S C 1.642 176.235 174.600 -0.011 0.000 1.009 186 S CA 1.004 59.196 58.200 -0.015 0.000 0.988 186 S CB 0.394 63.589 63.200 -0.009 0.000 0.896 186 S HN 2.443 nan 8.310 nan 0.000 0.502 187 G N 0.386 109.177 108.800 -0.015 0.000 2.184 187 G HA2 -0.161 3.803 3.960 0.007 0.000 0.206 187 G HA3 -0.161 3.803 3.960 0.007 0.000 0.206 187 G C -0.003 174.894 174.900 -0.006 0.000 0.995 187 G CA 0.004 45.098 45.100 -0.009 0.000 0.651 187 G HN 1.597 nan 8.290 nan 0.000 0.511 188 V N -2.750 117.161 119.914 -0.006 0.000 3.160 188 V HA 0.988 5.112 4.120 0.007 0.000 0.310 188 V C -0.326 175.769 176.094 0.002 0.000 1.181 188 V CA -0.163 62.136 62.300 -0.002 0.000 1.047 188 V CB 1.866 33.685 31.823 -0.006 0.000 1.068 188 V HN 1.562 nan 8.190 nan 0.000 0.441 189 S N 0.611 116.316 115.700 0.009 0.000 2.548 189 S HA 0.608 5.082 4.470 0.007 0.000 0.278 189 S C -0.488 174.124 174.600 0.021 0.000 1.150 189 S CA -0.237 57.972 58.200 0.016 0.000 0.907 189 S CB 1.890 65.091 63.200 0.002 0.000 1.108 189 S HN 1.273 nan 8.310 nan 0.000 0.459 190 S N 1.911 117.629 115.700 0.029 0.000 2.600 190 S HA 0.655 5.129 4.470 0.007 0.000 0.265 190 S C -0.051 174.558 174.600 0.015 0.000 1.325 190 S CA -0.298 57.914 58.200 0.020 0.000 1.002 190 S CB 0.965 64.163 63.200 -0.003 0.000 0.921 190 S HN 0.887 nan 8.310 nan 0.000 0.554 191 c N 1.496 120.121 118.600 0.041 0.000 3.293 191 c HA 0.504 5.078 4.570 0.007 0.000 0.362 191 c C -0.385 173.774 174.090 0.115 0.000 1.539 191 c CA -1.029 55.347 56.329 0.079 0.000 1.201 191 c CB 1.092 43.664 42.510 0.104 0.000 1.770 191 c HN 0.977 nan 8.230 nan 0.000 0.440 192 M N 2.172 121.867 119.600 0.159 0.000 2.487 192 M HA 0.300 4.784 4.480 0.007 0.000 0.398 192 M C 1.150 177.556 176.300 0.178 0.000 1.685 192 M CA 2.471 57.879 55.300 0.180 0.000 0.988 192 M CB -0.429 32.294 32.600 0.206 0.000 2.129 192 M HN 1.380 nan 8.290 nan 0.000 0.485 193 G N 3.486 112.407 108.800 0.201 0.000 2.238 193 G HA2 -0.200 3.764 3.960 0.007 0.000 0.217 193 G HA3 -0.200 3.764 3.960 0.007 0.000 0.217 193 G C 0.354 175.425 174.900 0.284 0.000 0.996 193 G CA 0.159 45.415 45.100 0.261 0.000 0.632 193 G HN 0.718 nan 8.290 nan 0.000 0.503 194 D N 0.953 121.460 120.400 0.179 0.000 2.305 194 D HA 0.180 4.824 4.640 0.007 0.000 0.206 194 D C 1.448 177.815 176.300 0.113 0.000 0.974 194 D CA 0.727 54.806 54.000 0.132 0.000 0.871 194 D CB 0.074 40.915 40.800 0.068 0.000 0.947 194 D HN 0.332 nan 8.370 nan 0.000 0.516 195 S N -0.628 115.151 115.700 0.131 0.000 2.561 195 S HA 0.232 4.706 4.470 0.007 0.000 0.294 195 S C 1.542 176.166 174.600 0.040 0.000 1.294 195 S CA 0.998 59.278 58.200 0.134 0.000 1.055 195 S CB 0.766 64.146 63.200 0.301 0.000 0.819 195 S HN 0.496 nan 8.310 nan 0.000 0.503 196 G N 2.122 110.935 108.800 0.022 0.000 2.253 196 G HA2 -0.208 3.756 3.960 0.007 0.000 0.251 196 G HA3 -0.208 3.756 3.960 0.007 0.000 0.251 196 G C 0.480 175.408 174.900 0.047 0.000 0.998 196 G CA 0.137 45.234 45.100 -0.006 0.000 0.621 196 G HN 1.143 nan 8.290 nan 0.000 0.524 197 G N 0.910 109.750 108.800 0.067 0.000 2.653 197 G HA2 0.577 4.541 3.960 0.007 0.000 0.265 197 G HA3 0.577 4.541 3.960 0.007 0.000 0.265 197 G C -1.891 173.055 174.900 0.077 0.000 1.237 197 G CA -0.105 45.039 45.100 0.074 0.000 0.946 197 G HN 0.415 nan 8.290 nan 0.000 0.522 198 P HA 0.350 nan 4.420 nan 0.000 0.284 198 P C -1.188 176.081 177.300 -0.051 0.000 1.258 198 P CA -0.570 62.545 63.100 0.025 0.000 0.824 198 P CB 2.056 33.812 31.700 0.093 0.000 1.038 199 L N 4.090 125.255 121.223 -0.097 0.000 2.388 199 L HA 0.390 4.734 4.340 0.007 0.000 0.267 199 L C -0.822 175.932 176.870 -0.194 0.000 0.995 199 L CA -0.826 53.877 54.840 -0.229 0.000 0.864 199 L CB 1.051 42.859 42.059 -0.418 0.000 1.216 199 L HN 0.206 nan 8.230 nan 0.000 0.430 200 V N 1.344 121.179 119.914 -0.132 0.000 2.815 200 V HA 0.864 4.988 4.120 0.007 0.000 0.314 200 V C -0.275 175.935 176.094 0.193 0.000 1.064 200 V CA -0.602 61.705 62.300 0.012 0.000 0.952 200 V CB 1.375 33.291 31.823 0.155 0.000 1.020 200 V HN 0.810 nan 8.190 nan 0.000 0.439 201 c N 2.390 121.075 118.600 0.142 0.000 2.898 201 c HA 0.596 5.170 4.570 0.007 0.000 0.304 201 c C -0.004 174.096 174.090 0.017 0.000 1.237 201 c CA -1.040 55.356 56.329 0.111 0.000 1.529 201 c CB 1.771 44.230 42.510 -0.085 0.000 2.021 201 c HN 1.001 nan 8.230 nan 0.000 0.474 202 K N 1.455 121.713 120.400 -0.236 0.000 2.270 202 K HA 0.337 4.660 4.320 0.007 0.000 0.276 202 K C -0.281 176.261 176.600 -0.095 0.000 1.023 202 K CA 0.073 56.123 56.287 -0.397 0.000 0.955 202 K CB 0.681 32.812 32.500 -0.614 0.000 0.975 202 K HN 0.577 nan 8.250 nan 0.000 0.471 203 K N 3.420 123.776 120.400 -0.073 0.000 2.664 203 K HA 0.084 4.408 4.320 0.007 0.000 0.234 203 K C -1.003 175.570 176.600 -0.045 0.000 0.980 203 K CA -0.320 55.973 56.287 0.009 0.000 0.996 203 K CB 0.306 32.873 32.500 0.112 0.000 1.190 203 K HN 0.617 nan 8.250 nan 0.000 0.479 204 N N 2.786 121.448 118.700 -0.063 0.000 2.783 204 N HA -0.187 4.557 4.740 0.007 0.000 0.247 204 N C 0.502 175.968 175.510 -0.074 0.000 1.089 204 N CA 1.418 54.432 53.050 -0.060 0.000 0.690 204 N CB -1.256 37.207 38.487 -0.040 0.000 0.991 204 N HN 1.090 nan 8.380 nan 0.000 0.552 205 G N -1.992 106.736 108.800 -0.121 0.000 2.225 205 G HA2 -0.141 3.823 3.960 0.007 0.000 0.254 205 G HA3 -0.141 3.823 3.960 0.007 0.000 0.254 205 G C 0.149 174.945 174.900 -0.173 0.000 0.988 205 G CA 0.780 45.796 45.100 -0.140 0.000 0.625 205 G HN 1.262 nan 8.290 nan 0.000 0.527 206 A N -0.520 122.213 122.820 -0.144 0.000 2.324 206 A HA 0.672 4.996 4.320 0.007 0.000 0.330 206 A C -0.327 177.174 177.584 -0.139 0.000 1.165 206 A CA -0.591 51.394 52.037 -0.086 0.000 0.813 206 A CB 0.671 19.671 19.000 -0.001 0.000 1.197 206 A HN 0.599 nan 8.150 nan 0.000 0.484 207 W N 1.388 122.710 121.300 0.036 0.000 2.266 207 W HA 0.456 5.120 4.660 0.007 0.000 0.317 207 W C 0.118 176.517 176.519 -0.199 0.000 1.310 207 W CA 0.538 57.873 57.345 -0.016 0.000 1.207 207 W CB 1.240 30.777 29.460 0.129 0.000 1.199 207 W HN 0.570 nan 8.180 nan 0.000 0.544 208 T N 4.356 118.938 114.554 0.047 0.000 2.841 208 T HA 0.289 4.643 4.350 0.007 0.000 0.283 208 T C -0.910 173.693 174.700 -0.162 0.000 1.000 208 T CA -0.854 61.203 62.100 -0.073 0.000 0.977 208 T CB 1.282 70.163 68.868 0.021 0.000 0.979 208 T HN 0.153 nan 8.240 nan 0.000 0.446 209 L N 4.638 125.744 121.223 -0.195 0.000 2.485 209 L HA 0.220 4.564 4.340 0.007 0.000 0.279 209 L C 0.779 177.524 176.870 -0.208 0.000 1.124 209 L CA 0.583 55.308 54.840 -0.191 0.000 0.888 209 L CB 0.043 42.014 42.059 -0.148 0.000 1.217 209 L HN 0.607 nan 8.230 nan 0.000 0.464 210 V N 4.183 123.918 119.914 -0.298 0.000 3.085 210 V HA 0.434 4.558 4.120 0.007 0.000 0.245 210 V C 1.022 176.998 176.094 -0.196 0.000 1.114 210 V CA 0.799 62.864 62.300 -0.391 0.000 1.108 210 V CB 0.121 31.537 31.823 -0.678 0.000 0.798 210 V HN 0.847 nan 8.190 nan 0.000 0.471 211 G N -0.646 108.063 108.800 -0.152 0.000 2.690 211 G HA2 0.709 4.673 3.960 0.007 0.000 0.291 211 G HA3 0.709 4.673 3.960 0.007 0.000 0.291 211 G C -1.668 173.270 174.900 0.064 0.000 1.403 211 G CA -0.542 44.540 45.100 -0.030 0.000 0.864 211 G HN 0.028 nan 8.290 nan 0.000 0.480 212 I N 0.937 121.608 120.570 0.167 0.000 2.436 212 I HA 0.244 4.418 4.170 0.007 0.000 0.289 212 I C 0.112 176.358 176.117 0.215 0.000 1.010 212 I CA -1.037 60.360 61.300 0.162 0.000 1.098 212 I CB 2.248 40.312 38.000 0.107 0.000 1.266 212 I HN 0.154 nan 8.210 nan 0.000 0.434 213 V N 5.268 125.301 119.914 0.199 0.000 2.584 213 V HA -0.062 4.062 4.120 0.007 0.000 0.303 213 V C 0.822 176.907 176.094 -0.014 0.000 1.035 213 V CA 0.832 63.121 62.300 -0.019 0.000 1.172 213 V CB 0.690 32.530 31.823 0.029 0.000 0.896 213 V HN 0.981 nan 8.190 nan 0.000 0.486 214 S N 4.695 120.283 115.700 -0.187 0.000 3.393 214 S HA 0.388 4.862 4.470 0.007 0.000 0.209 214 S C -0.174 174.436 174.600 0.017 0.000 0.897 214 S CA 0.073 58.315 58.200 0.069 0.000 0.825 214 S CB 0.611 63.864 63.200 0.087 0.000 0.898 214 S HN 0.900 nan 8.310 nan 0.000 0.615 215 W N -0.249 120.861 121.300 -0.316 0.000 2.959 215 W HA 0.614 5.277 4.660 0.005 0.000 0.358 215 W C -0.229 176.084 176.519 -0.343 0.000 1.228 215 W CA -0.393 56.759 57.345 -0.321 0.000 1.183 215 W CB 0.225 29.478 29.460 -0.345 0.000 1.467 215 W HN 0.626 nan 8.180 nan 0.000 0.578 216 G N 0.379 109.194 108.800 0.025 0.000 2.498 216 G HA2 0.277 4.241 3.960 0.007 0.000 0.181 216 G HA3 0.277 4.241 3.960 0.007 0.000 0.181 216 G C -1.031 174.063 174.900 0.323 0.000 1.169 216 G CA -0.136 44.925 45.100 -0.064 0.000 0.992 216 G HN 0.831 nan 8.290 nan 0.000 0.490 217 S N 0.057 115.982 115.700 0.376 0.000 2.563 217 S HA 0.284 4.758 4.470 0.007 0.000 0.294 217 S C 1.450 176.114 174.600 0.107 0.000 1.279 217 S CA 0.786 59.161 58.200 0.293 0.000 1.069 217 S CB 0.583 63.835 63.200 0.087 0.000 0.828 217 S HN 0.805 nan 8.310 nan 0.000 0.497 218 S N 2.954 118.710 115.700 0.094 0.000 2.603 218 S HA -0.006 4.468 4.470 0.007 0.000 0.229 218 S C 1.472 175.853 174.600 -0.365 0.000 0.972 218 S CA 0.937 59.118 58.200 -0.031 0.000 0.935 218 S CB -0.159 63.069 63.200 0.046 0.000 0.769 218 S HN 0.970 nan 8.310 nan 0.000 0.536 219 T N -3.101 111.173 114.554 -0.467 0.000 3.145 219 T HA 0.188 4.542 4.350 0.007 0.000 0.281 219 T C 0.527 174.868 174.700 -0.598 0.000 1.003 219 T CA -0.143 61.349 62.100 -1.014 0.000 0.901 219 T CB -0.878 67.712 68.868 -0.463 0.000 1.112 219 T HN 0.208 nan 8.240 nan 0.000 0.535 220 c N 1.892 120.309 118.600 -0.305 0.000 4.235 220 c HA -0.141 4.433 4.570 0.007 0.000 0.301 220 c C 0.987 175.038 174.090 -0.065 0.000 1.409 220 c CA 0.330 56.594 56.329 -0.108 0.000 2.024 220 c CB -3.304 39.192 42.510 -0.024 0.000 1.286 220 c HN 0.896 nan 8.230 nan 0.000 0.746 221 S N 0.782 116.437 115.700 -0.075 0.000 2.533 221 S HA 0.334 4.807 4.470 0.007 0.000 0.282 221 S C 1.489 176.055 174.600 -0.057 0.000 1.304 221 S CA 0.591 58.754 58.200 -0.061 0.000 1.063 221 S CB 0.832 63.984 63.200 -0.081 0.000 0.881 221 S HN 0.944 nan 8.310 nan 0.000 0.493 222 T N 1.137 115.667 114.554 -0.040 0.000 3.160 222 T HA 0.009 4.363 4.350 0.007 0.000 0.257 222 T C 1.260 175.927 174.700 -0.055 0.000 1.147 222 T CA 0.687 62.767 62.100 -0.035 0.000 1.064 222 T CB -0.351 68.508 68.868 -0.016 0.000 0.949 222 T HN 0.619 nan 8.240 nan 0.000 0.526 223 S N -0.329 115.320 115.700 -0.085 0.000 2.554 223 S HA 0.265 4.739 4.470 0.007 0.000 0.226 223 S C 0.379 174.855 174.600 -0.205 0.000 0.980 223 S CA -0.653 57.482 58.200 -0.108 0.000 0.939 223 S CB 0.024 63.173 63.200 -0.085 0.000 0.832 223 S HN 0.362 nan 8.310 nan 0.000 0.486 224 T N 4.322 118.727 114.554 -0.249 0.000 2.855 224 T HA 0.550 4.904 4.350 0.007 0.000 0.281 224 T C -3.031 171.539 174.700 -0.217 0.000 1.007 224 T CA -1.638 60.189 62.100 -0.455 0.000 1.009 224 T CB 1.602 70.156 68.868 -0.525 0.000 0.983 224 T HN -0.010 nan 8.240 nan 0.000 0.455 225 P HA 0.294 nan 4.420 nan 0.000 0.271 225 P C -0.008 177.380 177.300 0.146 0.000 1.220 225 P CA -0.150 62.984 63.100 0.057 0.000 0.768 225 P CB 0.417 32.204 31.700 0.145 0.000 0.848 226 G N 2.105 110.943 108.800 0.064 0.000 2.420 226 G HA2 0.482 4.446 3.960 0.007 0.000 0.284 226 G HA3 0.482 4.446 3.960 0.007 0.000 0.284 226 G C -0.873 173.887 174.900 -0.233 0.000 1.177 226 G CA -0.370 44.680 45.100 -0.083 0.000 0.841 226 G HN 0.338 nan 8.290 nan 0.000 0.527 227 V N 1.631 121.088 119.914 -0.763 0.000 2.459 227 V HA 0.508 4.632 4.120 0.007 0.000 0.295 227 V C -1.019 174.582 176.094 -0.821 0.000 1.029 227 V CA -0.695 61.095 62.300 -0.851 0.000 0.874 227 V CB 0.908 31.640 31.823 -1.818 0.000 0.985 227 V HN 0.633 nan 8.190 nan 0.000 0.438 228 Y N 1.399 121.532 120.300 -0.280 0.000 2.536 228 Y HA 0.739 5.293 4.550 0.007 0.000 0.347 228 Y C 0.469 176.335 175.900 -0.056 0.000 1.000 228 Y CA -1.044 56.978 58.100 -0.131 0.000 1.051 228 Y CB 1.772 40.171 38.460 -0.102 0.000 1.259 228 Y HN 0.730 nan 8.280 nan 0.000 0.468 229 A N 2.435 125.339 122.820 0.140 0.000 2.450 229 A HA 0.308 4.632 4.320 0.007 0.000 0.255 229 A C 0.281 177.927 177.584 0.103 0.000 1.096 229 A CA -0.498 51.611 52.037 0.119 0.000 0.778 229 A CB -0.019 19.049 19.000 0.114 0.000 1.031 229 A HN 0.792 nan 8.150 nan 0.000 0.494 230 R N 3.536 124.087 120.500 0.086 0.000 2.272 230 R HA 0.263 4.606 4.340 0.007 0.000 0.334 230 R C 0.448 176.789 176.300 0.068 0.000 1.117 230 R CA -0.327 55.814 56.100 0.068 0.000 0.966 230 R CB 0.162 30.505 30.300 0.071 0.000 1.049 230 R HN 0.569 nan 8.270 nan 0.000 0.477 231 V N 3.245 123.190 119.914 0.052 0.000 2.392 231 V HA -0.290 3.834 4.120 0.007 0.000 0.249 231 V C 2.402 178.547 176.094 0.084 0.000 1.059 231 V CA 2.421 64.758 62.300 0.062 0.000 1.051 231 V CB -0.720 31.117 31.823 0.023 0.000 0.658 231 V HN 0.931 nan 8.190 nan 0.000 0.455 232 T N -0.914 113.700 114.554 0.099 0.000 2.833 232 T HA -0.124 4.230 4.350 0.007 0.000 0.269 232 T C 1.728 176.485 174.700 0.095 0.000 1.054 232 T CA 1.429 63.599 62.100 0.116 0.000 1.135 232 T CB -0.399 68.561 68.868 0.153 0.000 0.869 232 T HN 0.504 nan 8.240 nan 0.000 0.466 233 A N 0.432 123.305 122.820 0.088 0.000 2.208 233 A HA 0.520 4.844 4.320 0.007 0.000 0.209 233 A C 1.981 179.618 177.584 0.088 0.000 1.161 233 A CA 0.296 52.381 52.037 0.078 0.000 0.782 233 A CB -0.367 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 -1.981 119.308 121.223 0.109 0.000 2.920 234 L HA 0.167 4.511 4.340 0.007 0.000 0.257 234 L C 1.844 178.852 176.870 0.230 0.000 1.150 234 L CA 0.038 54.972 54.840 0.157 0.000 0.959 234 L CB 0.547 42.680 42.059 0.124 0.000 1.321 234 L HN 0.145 nan 8.230 nan 0.000 0.555 235 V N 0.860 120.864 119.914 0.150 0.000 2.594 235 V HA -0.207 3.917 4.120 0.007 0.000 0.253 235 V C 2.104 178.247 176.094 0.082 0.000 1.069 235 V CA 1.907 64.273 62.300 0.110 0.000 1.082 235 V CB -0.189 31.675 31.823 0.069 0.000 0.680 235 V HN 0.518 nan 8.190 nan 0.000 0.469 236 N N -0.676 118.085 118.700 0.101 0.000 2.188 236 N HA -0.202 4.542 4.740 0.007 0.000 0.184 236 N C 1.382 176.939 175.510 0.077 0.000 1.018 236 N CA 1.867 54.957 53.050 0.066 0.000 0.858 236 N CB -0.523 38.008 38.487 0.074 0.000 0.989 236 N HN 0.821 nan 8.380 nan 0.000 0.426 237 W N 1.844 123.133 121.300 -0.018 0.000 2.363 237 W HA -0.091 4.573 4.660 0.007 0.000 0.296 237 W C 1.820 178.303 176.519 -0.060 0.000 1.212 237 W CA 0.822 58.156 57.345 -0.018 0.000 1.260 237 W CB -0.349 29.120 29.460 0.014 0.000 1.131 237 W HN -0.239 nan 8.180 nan 0.000 0.530 238 V N 1.320 121.180 119.914 -0.090 0.000 2.261 238 V HA -0.351 3.773 4.120 0.007 0.000 0.246 238 V C 2.638 178.447 176.094 -0.475 0.000 1.047 238 V CA 2.253 64.325 62.300 -0.381 0.000 1.015 238 V CB -1.081 30.691 31.823 -0.084 0.000 0.642 238 V HN 0.197 nan 8.190 nan 0.000 0.446 239 Q N -0.176 119.454 119.800 -0.284 0.000 2.096 239 Q HA -0.251 4.093 4.340 0.007 0.000 0.204 239 Q C 2.258 178.064 176.000 -0.323 0.000 0.982 239 Q CA 1.792 57.429 55.803 -0.277 0.000 0.850 239 Q CB -0.453 28.191 28.738 -0.156 0.000 0.901 239 Q HN 0.723 nan 8.270 nan 0.000 0.422 240 Q N -0.332 119.289 119.800 -0.299 0.000 2.084 240 Q HA -0.101 4.243 4.340 0.007 0.000 0.202 240 Q C 2.091 177.855 176.000 -0.393 0.000 0.978 240 Q CA 1.661 57.300 55.803 -0.273 0.000 0.844 240 Q CB -0.126 28.502 28.738 -0.184 0.000 0.898 240 Q HN 0.362 nan 8.270 nan 0.000 0.426 241 T N 1.189 115.361 114.554 -0.637 0.000 2.746 241 T HA -0.114 4.240 4.350 0.007 0.000 0.267 241 T C 1.749 175.973 174.700 -0.794 0.000 1.039 241 T CA 0.875 62.518 62.100 -0.761 0.000 1.142 241 T CB -0.135 68.040 68.868 -1.155 0.000 0.866 241 T HN 0.034 nan 8.240 nan 0.000 0.444 242 L N 1.240 121.923 121.223 -0.901 0.000 2.017 242 L HA 0.056 4.400 4.340 0.007 0.000 0.208 242 L C 2.828 179.405 176.870 -0.488 0.000 1.073 242 L CA 1.599 55.861 54.840 -0.964 0.000 0.745 242 L CB -1.153 40.359 42.059 -0.912 0.000 0.894 242 L HN 0.234 nan 8.230 nan 0.000 0.432 243 A N -0.860 121.743 122.820 -0.361 0.000 1.972 243 A HA -0.089 4.235 4.320 0.007 0.000 0.219 243 A C 2.277 179.771 177.584 -0.150 0.000 1.169 243 A CA 1.668 53.579 52.037 -0.210 0.000 0.635 243 A CB -0.730 18.167 19.000 -0.172 0.000 0.810 243 A HN 0.375 nan 8.150 nan 0.000 0.446 244 A N -1.299 121.417 122.820 -0.173 0.000 2.275 244 A HA 0.258 4.582 4.320 0.007 0.000 0.212 244 A C 0.714 178.277 177.584 -0.034 0.000 1.201 244 A CA -0.045 51.940 52.037 -0.087 0.000 0.843 244 A CB -0.054 18.901 19.000 -0.074 0.000 0.873 244 A HN 0.519 nan 8.150 nan 0.000 0.492 245 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 38.559 38.487 0.121 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667