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 1p2q_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 0.000 174.164 174.090 0.123 0.000 1.270 1 c CA 0.000 56.409 56.329 0.133 0.000 1.963 1 c CB 0.000 42.559 42.510 0.082 0.000 2.134 2 G N 0.137 109.007 108.800 0.116 0.000 2.186 2 G HA2 -0.099 3.865 3.960 0.007 0.000 0.266 2 G HA3 -0.099 3.865 3.960 0.007 0.000 0.266 2 G C -0.129 175.029 174.900 0.430 0.000 0.982 2 G CA 0.596 45.802 45.100 0.176 0.000 0.670 2 G HN 2.036 nan 8.290 nan 0.000 0.533 3 V N 1.479 121.614 119.914 0.368 0.000 2.327 3 V HA 0.362 4.486 4.120 0.007 0.000 0.272 3 V C -1.727 174.505 176.094 0.230 0.000 1.019 3 V CA -1.538 60.940 62.300 0.296 0.000 0.814 3 V CB 1.446 33.367 31.823 0.163 0.000 1.040 3 V HN 0.141 nan 8.190 nan 0.000 0.440 4 P HA 0.191 nan 4.420 nan 0.000 0.266 4 P C 0.919 178.192 177.300 -0.044 0.000 1.195 4 P CA 0.062 63.146 63.100 -0.026 0.000 0.768 4 P CB 1.127 32.675 31.700 -0.254 0.000 0.838 5 A N 3.655 126.431 122.820 -0.073 0.000 1.969 5 A HA -0.025 4.299 4.320 0.007 0.000 0.218 5 A C 0.967 178.494 177.584 -0.096 0.000 1.169 5 A CA 1.004 53.006 52.037 -0.059 0.000 0.635 5 A CB -0.617 18.350 19.000 -0.054 0.000 0.810 5 A HN 0.558 nan 8.150 nan 0.000 0.445 6 I N 0.648 121.121 120.570 -0.161 0.000 2.330 6 I HA 0.133 4.307 4.170 0.007 0.000 0.286 6 I C 0.146 176.109 176.117 -0.258 0.000 1.025 6 I CA -0.354 60.828 61.300 -0.198 0.000 1.197 6 I CB 1.241 39.097 38.000 -0.239 0.000 1.358 6 I HN 0.327 nan 8.210 nan 0.000 0.467 7 Q N 8.711 128.399 119.800 -0.187 0.000 2.274 7 Q HA 0.148 4.493 4.340 0.007 0.000 0.280 7 Q C -2.113 173.713 176.000 -0.290 0.000 1.047 7 Q CA -1.265 54.428 55.803 -0.183 0.000 0.907 7 Q CB 0.794 29.482 28.738 -0.082 0.000 1.171 7 Q HN 0.322 nan 8.270 nan 0.000 0.381 8 P HA 0.058 nan 4.420 nan 0.000 0.275 8 P C -1.140 176.036 177.300 -0.208 0.000 1.228 8 P CA -0.204 62.559 63.100 -0.562 0.000 0.786 8 P CB 1.000 31.967 31.700 -1.222 0.000 0.927 9 V N 3.991 123.825 119.914 -0.134 0.000 2.407 9 V HA 0.318 4.442 4.120 0.007 0.000 0.291 9 V C 0.234 176.351 176.094 0.038 0.000 1.018 9 V CA -0.501 61.782 62.300 -0.028 0.000 0.842 9 V CB 1.202 32.999 31.823 -0.043 0.000 0.996 9 V HN 0.372 nan 8.190 nan 0.000 0.426 10 L N 4.779 126.053 121.223 0.086 0.000 2.305 10 L HA 0.534 4.878 4.340 0.007 0.000 0.284 10 L C 0.874 177.790 176.870 0.076 0.000 1.013 10 L CA -0.221 54.685 54.840 0.110 0.000 0.819 10 L CB 2.056 44.219 42.059 0.173 0.000 1.227 10 L HN 0.801 nan 8.230 nan 0.000 0.417 17 V N 5.997 125.923 119.914 0.020 0.000 2.498 17 V HA 0.290 4.414 4.120 0.007 0.000 0.279 17 V C 1.095 177.197 176.094 0.013 0.000 1.048 17 V CA 0.172 62.488 62.300 0.026 0.000 0.967 17 V CB 1.108 32.956 31.823 0.041 0.000 0.988 17 V HN 1.031 nan 8.190 nan 0.000 0.473 18 N N 2.133 120.840 118.700 0.012 0.000 2.776 18 N HA -0.152 4.592 4.740 0.007 0.000 0.250 18 N C 0.633 176.143 175.510 0.001 0.000 1.112 18 N CA 0.325 53.380 53.050 0.008 0.000 0.733 18 N CB -0.549 37.944 38.487 0.009 0.000 1.097 18 N HN 0.923 nan 8.380 nan 0.000 0.558 19 G N 0.080 108.876 108.800 -0.007 0.000 2.574 19 G HA2 0.544 4.508 3.960 0.007 0.000 0.248 19 G HA3 0.544 4.508 3.960 0.007 0.000 0.248 19 G C -0.418 174.477 174.900 -0.009 0.000 1.422 19 G CA 0.157 45.247 45.100 -0.017 0.000 1.051 19 G HN 0.500 nan 8.290 nan 0.000 0.560 20 E N -1.396 118.798 120.200 -0.010 0.000 2.433 20 E HA 0.383 4.737 4.350 0.007 0.000 0.278 20 E C -1.123 175.485 176.600 0.014 0.000 0.976 20 E CA -0.795 55.610 56.400 0.008 0.000 0.793 20 E CB 1.773 31.486 29.700 0.022 0.000 1.311 20 E HN 0.399 nan 8.360 nan 0.000 0.460 21 E N 0.880 121.102 120.200 0.036 0.000 2.376 21 E HA 0.313 4.667 4.350 0.007 0.000 0.266 21 E C -0.684 175.986 176.600 0.117 0.000 1.009 21 E CA -0.174 56.272 56.400 0.076 0.000 0.902 21 E CB 0.764 30.530 29.700 0.110 0.000 0.972 21 E HN 0.548 nan 8.360 nan 0.000 0.439 22 A N 3.682 126.607 122.820 0.176 0.000 2.304 22 A HA 0.277 4.601 4.320 0.007 0.000 0.271 22 A C -0.313 177.312 177.584 0.069 0.000 1.091 22 A CA -0.672 51.473 52.037 0.179 0.000 0.812 22 A CB 0.909 20.083 19.000 0.290 0.000 1.056 22 A HN 0.520 nan 8.150 nan 0.000 0.489 23 V N 3.081 122.931 119.914 -0.107 0.000 2.585 23 V HA 0.115 4.240 4.120 0.007 0.000 0.296 23 V C -2.004 173.828 176.094 -0.436 0.000 1.035 23 V CA -0.698 61.444 62.300 -0.263 0.000 1.084 23 V CB 0.537 32.197 31.823 -0.271 0.000 0.953 23 V HN 0.736 nan 8.190 nan 0.000 0.483 24 P HA 0.120 nan 4.420 nan 0.000 0.261 24 P C 0.937 177.952 177.300 -0.476 0.000 1.183 24 P CA 1.498 63.979 63.100 -1.031 0.000 0.761 24 P CB 0.333 31.332 31.700 -1.169 0.000 0.785 25 G N 3.005 111.630 108.800 -0.292 0.000 2.184 25 G HA2 -0.320 3.644 3.960 0.007 0.000 0.264 25 G HA3 -0.320 3.644 3.960 0.007 0.000 0.264 25 G C 1.062 175.745 174.900 -0.362 0.000 0.975 25 G CA 0.582 45.540 45.100 -0.237 0.000 0.642 25 G HN 0.605 nan 8.290 nan 0.000 0.536 26 S N -1.757 113.641 115.700 -0.504 0.000 2.607 26 S HA 0.197 4.671 4.470 0.007 0.000 0.224 26 S C 0.627 174.478 174.600 -1.249 0.000 0.969 26 S CA 0.598 58.314 58.200 -0.808 0.000 0.927 26 S CB -0.276 62.389 63.200 -0.891 0.000 0.772 26 S HN 0.649 nan 8.310 nan 0.000 0.533 27 W N 2.042 122.960 121.300 -0.636 0.000 1.683 27 W HA 0.410 5.074 4.660 0.007 0.000 0.295 27 W C -2.066 173.842 176.519 -1.020 0.000 0.865 27 W CA -2.111 54.582 57.345 -1.087 0.000 2.079 27 W CB 1.055 30.022 29.460 -0.821 0.000 2.263 27 W HN 0.068 nan 8.180 nan 0.000 0.427 28 P HA -0.225 nan 4.420 nan 0.000 0.222 28 P C 0.844 178.012 177.300 -0.221 0.000 1.142 28 P CA 1.813 64.681 63.100 -0.386 0.000 0.788 28 P CB 0.037 31.559 31.700 -0.298 0.000 0.767 29 W N -0.253 121.045 121.300 -0.003 0.000 3.003 29 W HA 0.336 5.000 4.660 0.007 0.000 0.257 29 W C 0.772 177.318 176.519 0.045 0.000 1.308 29 W CA -0.492 56.853 57.345 0.000 0.000 1.529 29 W CB -1.506 27.966 29.460 0.020 0.000 1.115 29 W HN -0.142 nan 8.180 nan 0.000 0.659 30 Q N 3.008 122.795 119.800 -0.022 0.000 2.271 30 Q HA 0.302 4.647 4.340 0.007 0.000 0.273 30 Q C -0.198 175.913 176.000 0.184 0.000 1.051 30 Q CA -0.095 55.755 55.803 0.078 0.000 0.901 30 Q CB 0.883 29.555 28.738 -0.110 0.000 1.174 30 Q HN 0.251 nan 8.270 nan 0.000 0.385 31 V N 0.912 120.967 119.914 0.236 0.000 3.046 31 V HA 0.821 4.945 4.120 0.007 0.000 0.316 31 V C -0.565 175.707 176.094 0.297 0.000 1.104 31 V CA -0.836 61.606 62.300 0.237 0.000 1.006 31 V CB 2.013 33.924 31.823 0.148 0.000 1.058 31 V HN 0.696 nan 8.190 nan 0.000 0.440 32 S N 2.220 118.017 115.700 0.161 0.000 2.449 32 S HA 0.692 5.166 4.470 0.007 0.000 0.310 32 S C -0.700 173.823 174.600 -0.128 0.000 1.096 32 S CA -0.715 57.522 58.200 0.062 0.000 1.095 32 S CB 0.448 63.515 63.200 -0.222 0.000 1.007 32 S HN 0.748 nan 8.310 nan 0.000 0.474 33 L N 5.111 126.111 121.223 -0.372 0.000 2.264 33 L HA 0.507 4.851 4.340 0.007 0.000 0.289 33 L C 0.147 176.565 176.870 -0.752 0.000 1.044 33 L CA -0.394 54.104 54.840 -0.570 0.000 0.807 33 L CB 1.121 42.680 42.059 -0.834 0.000 1.192 33 L HN 0.660 nan 8.230 nan 0.000 0.425 34 Q N 1.412 121.080 119.800 -0.220 0.000 2.433 34 Q HA 0.329 4.674 4.340 0.007 0.000 0.279 34 Q C -1.147 175.057 176.000 0.341 0.000 1.105 34 Q CA -1.074 54.769 55.803 0.067 0.000 0.815 34 Q CB 2.750 31.491 28.738 0.006 0.000 1.403 34 Q HN 0.624 nan 8.270 nan 0.000 0.435 35 D N -0.060 120.576 120.400 0.393 0.000 2.433 35 D HA -0.001 4.643 4.640 0.007 0.000 0.255 35 D C 0.646 177.032 176.300 0.144 0.000 1.226 35 D CA -0.456 53.689 54.000 0.241 0.000 1.015 35 D CB 0.578 41.473 40.800 0.158 0.000 1.091 35 D HN 0.603 nan 8.370 nan 0.000 0.527 36 K N -1.621 118.829 120.400 0.084 0.000 2.360 36 K HA -0.165 4.159 4.320 0.007 0.000 0.201 36 K C 1.347 177.979 176.600 0.054 0.000 1.046 36 K CA 1.651 57.971 56.287 0.055 0.000 0.940 36 K CB -0.735 31.782 32.500 0.028 0.000 0.748 36 K HN 0.534 nan 8.250 nan 0.000 0.465 37 T N -3.776 110.823 114.554 0.075 0.000 3.081 37 T HA 0.273 4.627 4.350 0.007 0.000 0.250 37 T C 1.349 176.101 174.700 0.087 0.000 1.100 37 T CA 0.249 62.391 62.100 0.071 0.000 1.038 37 T CB 0.381 69.292 68.868 0.072 0.000 0.962 37 T HN 0.471 nan 8.240 nan 0.000 0.516 38 G N 0.945 109.808 108.800 0.105 0.000 2.148 38 G HA2 -0.172 3.792 3.960 0.007 0.000 0.203 38 G HA3 -0.172 3.792 3.960 0.007 0.000 0.203 38 G C -0.242 174.716 174.900 0.097 0.000 0.993 38 G CA -0.242 44.899 45.100 0.068 0.000 0.661 38 G HN 0.610 nan 8.290 nan 0.000 0.518 39 F N 2.801 122.780 119.950 0.049 0.000 2.444 39 F HA 0.594 5.124 4.527 0.006 0.000 0.360 39 F C 0.879 176.758 175.800 0.132 0.000 1.106 39 F CA -0.967 57.080 58.000 0.079 0.000 1.170 39 F CB 0.366 39.416 39.000 0.082 0.000 1.113 39 F HN 0.301 nan 8.300 nan 0.000 0.521 40 H N 7.032 125.747 119.070 -0.592 0.000 2.899 40 H HA 0.163 4.723 4.556 0.006 0.000 0.303 40 H C 0.114 175.220 175.328 -0.369 0.000 1.042 40 H CA 0.242 56.011 56.048 -0.465 0.000 1.479 40 H CB 0.313 29.773 29.762 -0.505 0.000 1.493 40 H HN 0.620 nan 8.280 nan 0.000 0.534 41 F N 1.289 120.909 119.950 -0.549 0.000 2.784 41 F HA 0.440 4.971 4.527 0.006 0.000 0.323 41 F C -0.375 175.240 175.800 -0.307 0.000 1.085 41 F CA -0.723 57.141 58.000 -0.228 0.000 1.196 41 F CB -0.034 39.001 39.000 0.058 0.000 1.053 41 F HN 0.429 nan 8.300 nan 0.000 0.578 42 c N 0.301 118.258 118.600 -1.071 0.000 3.312 42 c HA 0.753 5.327 4.570 0.007 0.000 0.332 42 c C 0.544 174.352 174.090 -0.470 0.000 1.340 42 c CA -0.567 55.424 56.329 -0.563 0.000 1.265 42 c CB 1.193 43.480 42.510 -0.371 0.000 1.563 42 c HN 0.685 nan 8.230 nan 0.000 0.471 43 G N -0.214 108.538 108.800 -0.081 0.000 2.601 43 G HA2 0.844 4.808 3.960 0.007 0.000 0.317 43 G HA3 0.844 4.808 3.960 0.007 0.000 0.317 43 G C -0.368 174.550 174.900 0.029 0.000 1.246 43 G CA 0.147 45.304 45.100 0.095 0.000 1.012 43 G HN 1.458 nan 8.290 nan 0.000 0.494 44 G N -1.811 107.047 108.800 0.097 0.000 2.559 44 G HA2 0.530 4.494 3.960 0.007 0.000 0.291 44 G HA3 0.530 4.494 3.960 0.007 0.000 0.291 44 G C -1.433 173.562 174.900 0.159 0.000 1.424 44 G CA -0.297 44.862 45.100 0.098 0.000 0.786 44 G HN 0.886 nan 8.290 nan 0.000 0.485 45 S N -0.364 115.438 115.700 0.170 0.000 2.594 45 S HA 0.520 4.994 4.470 0.007 0.000 0.296 45 S C -0.301 174.429 174.600 0.216 0.000 1.124 45 S CA -0.508 57.831 58.200 0.231 0.000 1.011 45 S CB 1.439 64.741 63.200 0.170 0.000 1.016 45 S HN 0.567 nan 8.310 nan 0.000 0.485 46 L N 3.852 125.233 121.223 0.264 0.000 2.410 46 L HA 0.333 4.677 4.340 0.007 0.000 0.273 46 L C 1.248 178.260 176.870 0.237 0.000 1.152 46 L CA -0.005 54.991 54.840 0.259 0.000 0.855 46 L CB 0.388 42.604 42.059 0.261 0.000 1.129 46 L HN 0.782 nan 8.230 nan 0.000 0.463 47 I N -0.559 120.156 120.570 0.241 0.000 4.070 47 I HA 0.299 4.473 4.170 0.007 0.000 0.328 47 I C 0.098 176.356 176.117 0.234 0.000 1.298 47 I CA -0.184 61.222 61.300 0.176 0.000 1.173 47 I CB 0.242 38.308 38.000 0.110 0.000 1.051 47 I HN 0.743 nan 8.210 nan 0.000 0.409 48 N N 0.131 119.039 118.700 0.348 0.000 3.373 48 N HA 0.019 4.763 4.740 0.007 0.000 0.275 48 N C 0.383 176.115 175.510 0.369 0.000 1.489 48 N CA -0.147 53.116 53.050 0.354 0.000 0.872 48 N CB 0.277 38.874 38.487 0.185 0.000 1.555 48 N HN -0.018 nan 8.380 nan 0.000 0.500 49 E N -0.288 119.907 120.200 -0.009 0.000 2.268 49 E HA -0.116 4.238 4.350 0.007 0.000 0.195 49 E C -0.300 176.343 176.600 0.071 0.000 0.995 49 E CA 1.328 57.670 56.400 -0.095 0.000 0.836 49 E CB -0.504 28.946 29.700 -0.416 0.000 0.763 49 E HN 0.608 nan 8.360 nan 0.000 0.491 50 N N -0.836 117.937 118.700 0.122 0.000 2.171 50 N HA 0.079 4.823 4.740 0.007 0.000 0.212 50 N C -0.813 174.602 175.510 -0.158 0.000 1.184 50 N CA 0.054 53.101 53.050 -0.004 0.000 0.888 50 N CB 0.431 38.900 38.487 -0.032 0.000 1.038 50 N HN 0.084 nan 8.380 nan 0.000 0.517 51 W N 0.591 121.930 121.300 0.064 0.000 2.915 51 W HA 0.568 5.232 4.660 0.007 0.000 0.337 51 W C -0.576 176.000 176.519 0.095 0.000 1.102 51 W CA -0.561 56.821 57.345 0.060 0.000 1.224 51 W CB 1.310 30.773 29.460 0.005 0.000 1.416 51 W HN -0.436 nan 8.180 nan 0.000 0.503 52 V N 3.275 123.382 119.914 0.322 0.000 2.656 52 V HA 0.549 4.673 4.120 0.007 0.000 0.307 52 V C -0.901 175.343 176.094 0.251 0.000 1.051 52 V CA -1.187 61.258 62.300 0.243 0.000 0.893 52 V CB 1.845 33.768 31.823 0.168 0.000 0.999 52 V HN 0.338 nan 8.190 nan 0.000 0.426 53 V N 4.509 124.546 119.914 0.205 0.000 2.483 53 V HA 0.851 4.975 4.120 0.007 0.000 0.295 53 V C -0.008 176.173 176.094 0.144 0.000 1.035 53 V CA 0.531 62.947 62.300 0.194 0.000 0.896 53 V CB 1.923 33.845 31.823 0.164 0.000 0.986 53 V HN 1.106 nan 8.190 nan 0.000 0.447 54 T N 4.319 118.950 114.554 0.130 0.000 2.647 54 T HA 0.761 5.115 4.350 0.007 0.000 0.295 54 T C -0.664 174.049 174.700 0.021 0.000 1.126 54 T CA 0.116 62.254 62.100 0.062 0.000 1.040 54 T CB 1.552 70.441 68.868 0.035 0.000 1.472 54 T HN 1.235 nan 8.240 nan 0.000 0.500 55 A N 0.357 123.134 122.820 -0.072 0.000 2.304 55 A HA 0.746 5.070 4.320 0.007 0.000 0.301 55 A C 1.419 178.847 177.584 -0.260 0.000 1.132 55 A CA 0.234 52.174 52.037 -0.162 0.000 0.819 55 A CB 0.368 19.195 19.000 -0.289 0.000 1.094 55 A HN 1.179 nan 8.150 nan 0.000 0.492 56 A N 0.848 123.468 122.820 -0.333 0.000 1.969 56 A HA -0.108 4.216 4.320 0.007 0.000 0.218 56 A C 1.734 179.002 177.584 -0.527 0.000 1.169 56 A CA 1.625 53.361 52.037 -0.503 0.000 0.635 56 A CB -0.941 17.507 19.000 -0.919 0.000 0.810 56 A HN 1.064 nan 8.150 nan 0.000 0.445 57 H N -1.883 116.932 119.070 -0.425 0.000 2.546 57 H HA -0.039 4.522 4.556 0.007 0.000 0.277 57 H C 1.641 176.953 175.328 -0.027 0.000 1.004 57 H CA 1.208 57.156 56.048 -0.166 0.000 1.231 57 H CB -0.803 28.962 29.762 0.004 0.000 1.382 57 H HN 0.400 nan 8.280 nan 0.000 0.580 58 c N 1.128 119.498 118.600 -0.382 0.000 2.437 58 c HA 0.116 4.690 4.570 0.007 0.000 0.283 58 c C 2.026 176.142 174.090 0.043 0.000 1.424 58 c CA 0.895 57.177 56.329 -0.079 0.000 1.782 58 c CB -1.257 41.239 42.510 -0.024 0.000 1.833 58 c HN 0.915 nan 8.230 nan 0.000 0.532 59 G N 1.079 109.862 108.800 -0.028 0.000 2.305 59 G HA2 -0.225 3.739 3.960 0.007 0.000 0.287 59 G HA3 -0.225 3.739 3.960 0.007 0.000 0.287 59 G C 0.086 174.968 174.900 -0.030 0.000 1.036 59 G CA 0.371 45.450 45.100 -0.035 0.000 0.887 59 G HN 0.439 nan 8.290 nan 0.000 0.505 60 V N 0.728 120.684 119.914 0.069 0.000 2.763 60 V HA 0.520 4.644 4.120 0.007 0.000 0.306 60 V C 1.204 177.327 176.094 0.048 0.000 1.059 60 V CA 0.845 63.224 62.300 0.132 0.000 1.138 60 V CB 1.059 33.002 31.823 0.199 0.000 0.940 60 V HN 0.974 nan 8.190 nan 0.000 0.489 61 T N -0.489 114.086 114.554 0.036 0.000 2.888 61 T HA 0.328 4.682 4.350 0.007 0.000 0.288 61 T C 0.967 175.678 174.700 0.019 0.000 1.063 61 T CA 0.086 62.189 62.100 0.005 0.000 1.010 61 T CB 1.603 70.455 68.868 -0.027 0.000 1.214 61 T HN 0.763 nan 8.240 nan 0.000 0.533 62 T N -1.257 113.295 114.554 -0.003 0.000 3.098 62 T HA 0.012 4.366 4.350 0.007 0.000 0.266 62 T C 1.666 176.370 174.700 0.006 0.000 1.145 62 T CA 0.888 62.986 62.100 -0.003 0.000 1.092 62 T CB -0.663 68.191 68.868 -0.022 0.000 0.908 62 T HN 0.471 nan 8.240 nan 0.000 0.526 63 S N 1.103 116.807 115.700 0.007 0.000 2.501 63 S HA 0.097 4.571 4.470 0.007 0.000 0.220 63 S C 0.547 175.169 174.600 0.037 0.000 0.997 63 S CA -0.094 58.111 58.200 0.010 0.000 0.919 63 S CB -0.061 63.135 63.200 -0.007 0.000 0.778 63 S HN 0.596 nan 8.310 nan 0.000 0.523 64 D N 0.855 121.295 120.400 0.067 0.000 2.387 64 D HA 0.416 5.060 4.640 0.007 0.000 0.251 64 D C -0.346 176.015 176.300 0.102 0.000 1.141 64 D CA -0.125 53.957 54.000 0.138 0.000 0.987 64 D CB 1.479 42.442 40.800 0.271 0.000 1.116 64 D HN 0.000 nan 8.370 nan 0.000 0.491 65 V N 0.261 120.236 119.914 0.102 0.000 2.914 65 V HA 0.383 4.507 4.120 0.007 0.000 0.314 65 V C -1.020 175.087 176.094 0.023 0.000 1.084 65 V CA -0.607 61.723 62.300 0.050 0.000 0.963 65 V CB 2.221 34.065 31.823 0.036 0.000 1.025 65 V HN 0.241 nan 8.190 nan 0.000 0.432 66 V N 6.123 126.047 119.914 0.017 0.000 2.370 66 V HA 0.453 4.577 4.120 0.007 0.000 0.279 66 V C -0.237 175.865 176.094 0.013 0.000 1.029 66 V CA -0.366 61.941 62.300 0.012 0.000 0.870 66 V CB 1.626 33.471 31.823 0.036 0.000 0.984 66 V HN 0.653 nan 8.190 nan 0.000 0.451 67 V N 5.166 125.079 119.914 -0.002 0.000 2.334 67 V HA 0.749 4.873 4.120 0.007 0.000 0.281 67 V C 0.431 176.547 176.094 0.036 0.000 1.016 67 V CA -0.353 61.944 62.300 -0.005 0.000 0.832 67 V CB 1.318 33.101 31.823 -0.065 0.000 0.999 67 V HN 0.967 nan 8.190 nan 0.000 0.439 68 A N 3.383 126.237 122.820 0.057 0.000 2.311 68 A HA 0.810 5.134 4.320 0.007 0.000 0.334 68 A C 1.102 178.731 177.584 0.076 0.000 1.139 68 A CA 0.007 52.095 52.037 0.084 0.000 0.830 68 A CB 1.115 20.171 19.000 0.092 0.000 1.234 68 A HN 1.998 nan 8.150 nan 0.000 0.483 69 G N -0.218 108.631 108.800 0.082 0.000 2.160 69 G HA2 -0.212 3.752 3.960 0.007 0.000 0.251 69 G HA3 -0.212 3.752 3.960 0.007 0.000 0.251 69 G C 0.061 175.028 174.900 0.112 0.000 1.008 69 G CA 0.764 45.905 45.100 0.069 0.000 0.724 69 G HN 1.069 nan 8.290 nan 0.000 0.514 70 E N -1.375 118.932 120.200 0.177 0.000 2.242 70 E HA 0.721 5.075 4.350 0.007 0.000 0.275 70 E C 0.582 177.458 176.600 0.460 0.000 1.002 70 E CA -0.968 55.562 56.400 0.217 0.000 0.841 70 E CB 0.614 30.341 29.700 0.045 0.000 1.109 70 E HN 0.248 nan 8.360 nan 0.000 0.394 71 F N 2.174 122.269 119.950 0.242 0.000 2.212 71 F HA 0.280 4.811 4.527 0.008 0.000 0.262 71 F C -0.216 175.780 175.800 0.327 0.000 0.906 71 F CA -0.124 58.041 58.000 0.275 0.000 1.127 71 F CB 0.565 39.625 39.000 0.100 0.000 1.178 71 F HN 0.413 nan 8.300 nan 0.000 0.779 72 D N 1.508 121.868 120.400 -0.067 0.000 2.443 72 D HA 0.190 4.834 4.640 0.007 0.000 0.221 72 D C 0.380 176.594 176.300 -0.145 0.000 1.097 72 D CA 0.041 53.915 54.000 -0.210 0.000 0.865 72 D CB 1.397 42.153 40.800 -0.074 0.000 1.034 72 D HN 0.422 nan 8.370 nan 0.000 0.511 73 Q N 1.780 121.428 119.800 -0.254 0.000 2.488 73 Q HA 0.024 4.368 4.340 0.007 0.000 0.211 73 Q C 1.497 177.377 176.000 -0.200 0.000 0.967 73 Q CA 0.562 56.166 55.803 -0.331 0.000 0.926 73 Q CB 0.472 28.861 28.738 -0.581 0.000 0.992 73 Q HN 0.516 nan 8.270 nan 0.000 0.506 74 G N 0.126 108.840 108.800 -0.143 0.000 3.042 74 G HA2 -0.027 3.937 3.960 0.007 0.000 0.212 74 G HA3 -0.027 3.937 3.960 0.007 0.000 0.212 74 G C 0.270 175.136 174.900 -0.057 0.000 1.166 74 G CA -0.179 44.866 45.100 -0.091 0.000 0.767 74 G HN 0.118 nan 8.290 nan 0.000 0.546 75 S N 0.132 115.802 115.700 -0.050 0.000 2.422 75 S HA 0.401 4.875 4.470 0.007 0.000 0.298 75 S C 1.322 175.909 174.600 -0.021 0.000 1.118 75 S CA -0.075 58.114 58.200 -0.017 0.000 1.083 75 S CB 1.331 64.541 63.200 0.016 0.000 0.971 75 S HN 0.097 nan 8.310 nan 0.000 0.478 76 S N 3.518 119.208 115.700 -0.016 0.000 2.470 76 S HA -0.044 4.431 4.470 0.007 0.000 0.225 76 S C 1.862 176.459 174.600 -0.005 0.000 1.006 76 S CA 1.228 59.419 58.200 -0.015 0.000 0.934 76 S CB -0.254 62.939 63.200 -0.012 0.000 0.778 76 S HN 0.871 nan 8.310 nan 0.000 0.517 77 S N 0.208 115.909 115.700 0.003 0.000 2.501 77 S HA 0.165 4.640 4.470 0.007 0.000 0.220 77 S C 0.576 175.184 174.600 0.014 0.000 0.997 77 S CA -0.209 57.995 58.200 0.008 0.000 0.919 77 S CB -0.458 62.748 63.200 0.010 0.000 0.778 77 S HN 0.626 nan 8.310 nan 0.000 0.523 78 E N 2.192 122.405 120.200 0.020 0.000 2.529 78 E HA -0.006 4.349 4.350 0.007 0.000 0.259 78 E C -0.727 175.889 176.600 0.025 0.000 0.966 78 E CA 0.184 56.605 56.400 0.034 0.000 0.937 78 E CB 0.390 30.122 29.700 0.053 0.000 0.923 78 E HN 0.364 nan 8.360 nan 0.000 0.468 79 K N 5.588 126.005 120.400 0.028 0.000 2.349 79 K HA 0.250 4.574 4.320 0.007 0.000 0.288 79 K C 0.108 176.725 176.600 0.028 0.000 1.058 79 K CA 0.057 56.358 56.287 0.023 0.000 0.953 79 K CB 0.208 32.720 32.500 0.020 0.000 0.997 79 K HN 0.409 nan 8.250 nan 0.000 0.477 80 I N -1.186 119.398 120.570 0.023 0.000 3.279 80 I HA 0.337 4.511 4.170 0.007 0.000 0.315 80 I C -1.281 174.852 176.117 0.025 0.000 1.187 80 I CA -1.339 59.977 61.300 0.026 0.000 0.953 80 I CB 2.170 40.177 38.000 0.011 0.000 1.279 80 I HN 0.375 nan 8.210 nan 0.000 0.465 81 Q N 2.099 121.919 119.800 0.032 0.000 2.357 81 Q HA 0.431 4.775 4.340 0.007 0.000 0.266 81 Q C -1.412 174.606 176.000 0.029 0.000 1.021 81 Q CA -0.716 55.108 55.803 0.036 0.000 0.784 81 Q CB 2.367 31.139 28.738 0.056 0.000 1.243 81 Q HN 0.428 nan 8.270 nan 0.000 0.465 82 K N 3.540 123.952 120.400 0.019 0.000 2.263 82 K HA 0.365 4.689 4.320 0.007 0.000 0.282 82 K C -0.747 175.864 176.600 0.019 0.000 1.089 82 K CA -0.144 56.151 56.287 0.013 0.000 0.907 82 K CB 0.672 33.176 32.500 0.007 0.000 1.148 82 K HN 0.378 nan 8.250 nan 0.000 0.470 83 L N 3.691 124.928 121.223 0.023 0.000 2.296 83 L HA 0.365 4.709 4.340 0.007 0.000 0.286 83 L C 0.144 177.022 176.870 0.013 0.000 1.023 83 L CA -0.864 53.988 54.840 0.021 0.000 0.812 83 L CB 1.214 43.292 42.059 0.032 0.000 1.223 83 L HN 0.369 nan 8.230 nan 0.000 0.421 84 K N 3.219 123.622 120.400 0.005 0.000 2.258 84 K HA 0.448 4.772 4.320 0.007 0.000 0.264 84 K C -0.561 176.033 176.600 -0.011 0.000 1.007 84 K CA -0.286 56.002 56.287 0.001 0.000 0.941 84 K CB 1.212 33.710 32.500 -0.003 0.000 0.966 84 K HN 0.444 nan 8.250 nan 0.000 0.480 85 I N 2.239 122.804 120.570 -0.007 0.000 2.315 85 I HA 0.070 4.245 4.170 0.007 0.000 0.291 85 I C 0.922 177.018 176.117 -0.035 0.000 1.006 85 I CA -0.091 61.196 61.300 -0.021 0.000 1.265 85 I CB 1.697 39.700 38.000 0.006 0.000 1.387 85 I HN 0.788 nan 8.210 nan 0.000 0.475 86 A N 6.235 129.017 122.820 -0.063 0.000 1.878 86 A HA 0.094 4.418 4.320 0.007 0.000 0.213 86 A C 0.928 178.477 177.584 -0.059 0.000 1.192 86 A CA 1.064 53.065 52.037 -0.060 0.000 0.619 86 A CB 0.214 19.168 19.000 -0.076 0.000 0.837 86 A HN 0.694 nan 8.150 nan 0.000 0.446 87 K N -1.104 119.257 120.400 -0.064 0.000 2.546 87 K HA 0.538 4.862 4.320 0.007 0.000 0.264 87 K C -2.072 174.481 176.600 -0.079 0.000 0.937 87 K CA -0.548 55.672 56.287 -0.110 0.000 0.833 87 K CB 2.300 34.716 32.500 -0.140 0.000 1.378 87 K HN -0.030 nan 8.250 nan 0.000 0.432 88 V N 4.024 123.833 119.914 -0.175 0.000 2.398 88 V HA 0.485 4.609 4.120 0.007 0.000 0.286 88 V C -1.050 174.955 176.094 -0.148 0.000 1.026 88 V CA -0.560 61.724 62.300 -0.028 0.000 0.868 88 V CB 0.960 32.783 31.823 -0.000 0.000 0.982 88 V HN 0.565 nan 8.190 nan 0.000 0.443 89 F N 3.887 123.966 119.950 0.216 0.000 2.359 89 F HA 0.447 4.978 4.527 0.007 0.000 0.370 89 F C 0.397 176.439 175.800 0.402 0.000 1.077 89 F CA -0.630 57.551 58.000 0.303 0.000 1.136 89 F CB 1.082 40.282 39.000 0.334 0.000 1.387 89 F HN 0.332 nan 8.300 nan 0.000 0.468 90 K N 2.461 123.084 120.400 0.371 0.000 2.249 90 K HA 0.130 4.454 4.320 0.007 0.000 0.280 90 K C 0.294 177.044 176.600 0.250 0.000 1.033 90 K CA -0.571 55.861 56.287 0.241 0.000 0.946 90 K CB 0.588 33.150 32.500 0.104 0.000 1.005 90 K HN 0.426 nan 8.250 nan 0.000 0.469 91 N N 2.222 120.872 118.700 -0.083 0.000 2.440 91 N HA -0.089 4.656 4.740 0.007 0.000 0.265 91 N C 0.711 176.167 175.510 -0.091 0.000 1.239 91 N CA 0.398 53.172 53.050 -0.460 0.000 0.909 91 N CB 0.949 38.801 38.487 -1.057 0.000 1.066 91 N HN 0.719 nan 8.380 nan 0.000 0.474 92 S N 3.500 119.219 115.700 0.031 0.000 2.469 92 S HA -0.069 4.405 4.470 0.007 0.000 0.238 92 S C 1.110 175.723 174.600 0.022 0.000 0.998 92 S CA 0.867 59.109 58.200 0.070 0.000 0.957 92 S CB 0.007 63.274 63.200 0.113 0.000 0.764 92 S HN 0.629 nan 8.310 nan 0.000 0.514 93 K N 0.084 120.456 120.400 -0.047 0.000 2.444 93 K HA 0.137 4.461 4.320 0.007 0.000 0.193 93 K C -0.063 176.520 176.600 -0.027 0.000 1.024 93 K CA -0.316 55.943 56.287 -0.047 0.000 1.077 93 K CB -0.068 32.386 32.500 -0.077 0.000 0.833 93 K HN 0.517 nan 8.250 nan 0.000 0.517 94 Y N 2.808 123.036 120.300 -0.121 0.000 2.721 94 Y HA -0.078 4.476 4.550 0.006 0.000 0.329 94 Y C -0.010 175.858 175.900 -0.054 0.000 1.211 94 Y CA -0.451 57.597 58.100 -0.087 0.000 1.512 94 Y CB 0.091 38.509 38.460 -0.070 0.000 1.249 94 Y HN -0.043 nan 8.280 nan 0.000 0.549 95 N N 3.956 122.249 118.700 -0.678 0.000 2.485 95 N HA 0.033 4.778 4.740 0.007 0.000 0.243 95 N C 0.387 175.335 175.510 -0.936 0.000 0.987 95 N CA 0.381 53.077 53.050 -0.591 0.000 0.940 95 N CB 1.055 39.352 38.487 -0.317 0.000 1.122 95 N HN 0.781 nan 8.380 nan 0.000 0.509 96 S N 3.122 118.370 115.700 -0.753 0.000 2.547 96 S HA -0.016 4.458 4.470 0.007 0.000 0.235 96 S C 1.582 176.004 174.600 -0.298 0.000 0.980 96 S CA 0.405 58.299 58.200 -0.510 0.000 0.941 96 S CB -0.064 63.030 63.200 -0.175 0.000 0.763 96 S HN 0.588 nan 8.310 nan 0.000 0.532 97 L N 1.052 122.102 121.223 -0.288 0.000 2.349 97 L HA 0.111 4.455 4.340 0.007 0.000 0.200 97 L C 2.886 179.604 176.870 -0.253 0.000 1.064 97 L CA 1.195 55.906 54.840 -0.217 0.000 0.821 97 L CB -0.873 41.089 42.059 -0.162 0.000 1.027 97 L HN 0.488 nan 8.230 nan 0.000 0.476 98 T N -3.247 111.150 114.554 -0.261 0.000 3.057 98 T HA 0.101 4.455 4.350 0.007 0.000 0.254 98 T C 1.182 175.702 174.700 -0.301 0.000 1.094 98 T CA -0.042 61.905 62.100 -0.255 0.000 1.088 98 T CB 0.300 69.069 68.868 -0.164 0.000 0.934 98 T HN 0.119 nan 8.240 nan 0.000 0.497 99 I N 0.053 120.438 120.570 -0.309 0.000 5.620 99 I HA -0.180 3.994 4.170 0.007 0.000 0.127 99 I C 0.083 176.225 176.117 0.042 0.000 1.815 99 I CA -0.029 61.176 61.300 -0.159 0.000 2.038 99 I CB -3.298 34.531 38.000 -0.286 0.000 3.367 99 I HN 0.424 nan 8.210 nan 0.000 0.169 100 N N 3.008 121.680 118.700 -0.047 0.000 2.503 100 N HA 0.237 4.981 4.740 0.007 0.000 0.267 100 N C 0.767 176.332 175.510 0.091 0.000 1.214 100 N CA 0.567 53.644 53.050 0.044 0.000 0.959 100 N CB 0.367 38.851 38.487 -0.004 0.000 1.142 100 N HN 0.230 nan 8.380 nan 0.000 0.455 101 N N 0.624 119.385 118.700 0.102 0.000 2.758 101 N HA -0.217 4.527 4.740 0.007 0.000 0.248 101 N C -1.312 174.294 175.510 0.159 0.000 1.076 101 N CA 0.460 53.548 53.050 0.064 0.000 0.696 101 N CB -1.220 37.260 38.487 -0.012 0.000 0.979 101 N HN 0.630 nan 8.380 nan 0.000 0.550 102 D N 1.245 121.772 120.400 0.212 0.000 2.608 102 D HA 0.397 5.041 4.640 0.007 0.000 0.224 102 D C 0.028 176.325 176.300 -0.005 0.000 1.123 102 D CA 0.098 54.194 54.000 0.159 0.000 1.030 102 D CB -0.242 40.731 40.800 0.288 0.000 1.093 102 D HN 0.506 nan 8.370 nan 0.000 0.497 103 I N 0.758 121.260 120.570 -0.113 0.000 2.752 103 I HA 0.376 4.550 4.170 0.007 0.000 0.295 103 I C -1.283 174.780 176.117 -0.089 0.000 1.219 103 I CA -0.293 60.960 61.300 -0.079 0.000 1.030 103 I CB 2.200 40.175 38.000 -0.041 0.000 1.259 103 I HN -0.071 nan 8.210 nan 0.000 0.423 104 T N 7.011 121.626 114.554 0.101 0.000 2.933 104 T HA 0.555 4.909 4.350 0.007 0.000 0.305 104 T C -1.004 173.931 174.700 0.392 0.000 1.092 104 T CA -0.452 61.802 62.100 0.256 0.000 1.008 104 T CB 1.785 70.724 68.868 0.118 0.000 1.102 104 T HN 0.342 nan 8.240 nan 0.000 0.469 105 L N 3.119 124.676 121.223 0.556 0.000 2.334 105 L HA 0.659 5.003 4.340 0.007 0.000 0.276 105 L C -0.894 176.282 176.870 0.510 0.000 1.014 105 L CA -0.963 54.182 54.840 0.508 0.000 0.815 105 L CB 1.381 43.706 42.059 0.442 0.000 1.268 105 L HN 0.379 nan 8.230 nan 0.000 0.428 106 L N 3.514 124.967 121.223 0.384 0.000 2.325 106 L HA 0.489 4.833 4.340 0.007 0.000 0.281 106 L C -0.323 176.506 176.870 -0.068 0.000 1.004 106 L CA -0.546 54.411 54.840 0.196 0.000 0.823 106 L CB 1.724 43.859 42.059 0.127 0.000 1.236 106 L HN 0.498 nan 8.230 nan 0.000 0.415 107 K N 4.396 124.597 120.400 -0.333 0.000 2.234 107 K HA 0.523 4.847 4.320 0.007 0.000 0.277 107 K C -0.706 175.645 176.600 -0.416 0.000 1.038 107 K CA -0.572 55.166 56.287 -0.916 0.000 0.888 107 K CB 0.907 32.779 32.500 -1.046 0.000 1.091 107 K HN 0.544 nan 8.250 nan 0.000 0.467 108 L N 3.218 124.220 121.223 -0.369 0.000 2.397 108 L HA 0.085 4.429 4.340 0.007 0.000 0.271 108 L C 1.406 178.190 176.870 -0.143 0.000 1.148 108 L CA -0.333 54.403 54.840 -0.173 0.000 0.825 108 L CB 1.445 43.444 42.059 -0.100 0.000 1.117 108 L HN 0.802 nan 8.230 nan 0.000 0.456 109 S N 0.218 115.869 115.700 -0.082 0.000 2.368 109 S HA -0.057 4.417 4.470 0.007 0.000 0.224 109 S C 0.647 175.220 174.600 -0.045 0.000 1.029 109 S CA 0.987 59.153 58.200 -0.058 0.000 0.988 109 S CB 0.072 63.252 63.200 -0.034 0.000 0.838 109 S HN 0.753 nan 8.310 nan 0.000 0.462 110 T N 1.724 116.258 114.554 -0.034 0.000 2.841 110 T HA 0.669 5.023 4.350 0.007 0.000 0.283 110 T C -0.270 174.421 174.700 -0.015 0.000 1.000 110 T CA -0.617 61.471 62.100 -0.020 0.000 0.977 110 T CB 1.731 70.596 68.868 -0.005 0.000 0.979 110 T HN 0.285 nan 8.240 nan 0.000 0.446 111 A N 2.297 125.108 122.820 -0.015 0.000 2.466 111 A HA 0.657 4.981 4.320 0.007 0.000 0.238 111 A C 0.740 178.344 177.584 0.033 0.000 1.074 111 A CA -0.392 51.642 52.037 -0.006 0.000 0.774 111 A CB -0.159 18.823 19.000 -0.030 0.000 1.015 111 A HN 1.076 nan 8.150 nan 0.000 0.498 112 A N 1.178 124.048 122.820 0.084 0.000 2.322 112 A HA 0.531 4.855 4.320 0.007 0.000 0.269 112 A C 0.645 178.338 177.584 0.183 0.000 1.094 112 A CA 0.302 52.439 52.037 0.167 0.000 0.807 112 A CB 0.258 19.435 19.000 0.295 0.000 1.047 112 A HN 1.400 nan 8.150 nan 0.000 0.487 113 S N 1.780 117.598 115.700 0.197 0.000 2.415 113 S HA 0.515 4.989 4.470 0.007 0.000 0.313 113 S C -0.571 174.227 174.600 0.330 0.000 1.067 113 S CA -0.583 57.728 58.200 0.186 0.000 1.099 113 S CB -0.772 62.494 63.200 0.110 0.000 0.991 113 S HN 0.358 nan 8.310 nan 0.000 0.491 114 F N 3.924 123.903 119.950 0.049 0.000 2.572 114 F HA 0.356 4.888 4.527 0.007 0.000 0.370 114 F C 1.398 177.222 175.800 0.041 0.000 1.103 114 F CA -0.227 57.806 58.000 0.055 0.000 1.286 114 F CB 0.453 39.492 39.000 0.064 0.000 1.105 114 F HN 0.727 nan 8.300 nan 0.000 0.583 115 S N 1.790 117.573 115.700 0.137 0.000 2.755 115 S HA 0.203 4.677 4.470 0.007 0.000 0.286 115 S C 0.560 175.163 174.600 0.005 0.000 1.207 115 S CA -0.664 57.579 58.200 0.071 0.000 0.892 115 S CB 1.327 64.561 63.200 0.056 0.000 1.240 115 S HN 0.558 nan 8.310 nan 0.000 0.525 116 Q N 0.435 120.230 119.800 -0.008 0.000 2.152 116 Q HA -0.140 4.204 4.340 0.007 0.000 0.206 116 Q C 1.464 177.414 176.000 -0.082 0.000 0.985 116 Q CA 2.374 58.152 55.803 -0.042 0.000 0.863 116 Q CB -0.501 28.211 28.738 -0.042 0.000 0.904 116 Q HN 0.922 nan 8.270 nan 0.000 0.422 117 T N -3.670 110.840 114.554 -0.072 0.000 3.054 117 T HA 0.339 4.694 4.350 0.007 0.000 0.255 117 T C -0.053 174.588 174.700 -0.098 0.000 1.035 117 T CA -0.369 61.673 62.100 -0.095 0.000 0.941 117 T CB 0.865 69.697 68.868 -0.059 0.000 1.026 117 T HN -0.033 nan 8.240 nan 0.000 0.533 118 V N 2.544 122.395 119.914 -0.105 0.000 2.488 118 V HA 0.739 4.863 4.120 0.007 0.000 0.293 118 V C -0.536 175.305 176.094 -0.423 0.000 1.027 118 V CA -0.486 61.721 62.300 -0.154 0.000 0.862 118 V CB 1.324 33.131 31.823 -0.027 0.000 1.008 118 V HN 0.699 nan 8.190 nan 0.000 0.428 119 S N 3.300 118.660 115.700 -0.567 0.000 2.672 119 S HA 0.943 5.417 4.470 0.007 0.000 0.271 119 S C -0.536 173.767 174.600 -0.496 0.000 1.171 119 S CA -0.344 57.236 58.200 -1.034 0.000 0.817 119 S CB 1.873 64.833 63.200 -0.400 0.000 1.150 119 S HN 1.314 nan 8.310 nan 0.000 0.478 120 A N 0.187 122.850 122.820 -0.261 0.000 2.282 120 A HA 0.839 5.163 4.320 0.007 0.000 0.319 120 A C -0.105 177.583 177.584 0.173 0.000 1.121 120 A CA -0.767 51.362 52.037 0.154 0.000 0.836 120 A CB 1.077 20.275 19.000 0.329 0.000 1.146 120 A HN 1.408 nan 8.150 nan 0.000 0.494 121 V N 0.687 120.569 119.914 -0.054 0.000 2.837 121 V HA 0.425 4.549 4.120 0.007 0.000 0.310 121 V C 0.104 176.050 176.094 -0.247 0.000 1.059 121 V CA -0.636 61.319 62.300 -0.575 0.000 1.004 121 V CB 1.169 32.323 31.823 -1.115 0.000 1.045 121 V HN 1.033 nan 8.190 nan 0.000 0.465 122 c N 5.453 123.913 118.600 -0.233 0.000 2.459 122 c HA 0.515 5.089 4.570 0.007 0.000 0.374 122 c C 0.176 174.213 174.090 -0.087 0.000 1.241 122 c CA -0.781 55.492 56.329 -0.092 0.000 2.352 122 c CB 0.063 42.547 42.510 -0.043 0.000 2.490 122 c HN 0.739 nan 8.230 nan 0.000 0.583 123 L N 4.442 125.644 121.223 -0.035 0.000 2.322 123 L HA 0.481 4.825 4.340 0.007 0.000 0.279 123 L C -1.699 175.186 176.870 0.025 0.000 1.036 123 L CA -1.192 53.638 54.840 -0.016 0.000 0.807 123 L CB 1.449 43.499 42.059 -0.014 0.000 1.226 123 L HN 0.517 nan 8.230 nan 0.000 0.433 124 P HA 0.244 nan 4.420 nan 0.000 0.279 124 P C -0.962 176.391 177.300 0.089 0.000 1.276 124 P CA -0.535 62.649 63.100 0.141 0.000 0.801 124 P CB 1.211 33.089 31.700 0.296 0.000 1.127 125 S N -0.514 115.230 115.700 0.075 0.000 2.578 125 S HA 0.376 4.850 4.470 0.007 0.000 0.283 125 S C 1.483 176.112 174.600 0.049 0.000 1.195 125 S CA -0.130 58.092 58.200 0.036 0.000 1.050 125 S CB 1.143 64.346 63.200 0.004 0.000 1.012 125 S HN 0.572 nan 8.310 nan 0.000 0.511 126 A N 2.218 125.063 122.820 0.041 0.000 2.032 126 A HA -0.130 4.194 4.320 0.007 0.000 0.221 126 A C 2.053 179.657 177.584 0.034 0.000 1.165 126 A CA 2.012 54.079 52.037 0.049 0.000 0.645 126 A CB -0.766 18.259 19.000 0.042 0.000 0.807 126 A HN 0.855 nan 8.150 nan 0.000 0.453 127 S N -0.648 115.056 115.700 0.008 0.000 2.548 127 S HA 0.073 4.547 4.470 0.007 0.000 0.215 127 S C 0.003 174.569 174.600 -0.058 0.000 0.976 127 S CA -0.247 57.943 58.200 -0.017 0.000 0.908 127 S CB -0.220 62.966 63.200 -0.023 0.000 0.781 127 S HN 0.409 nan 8.310 nan 0.000 0.519 128 D N 2.979 123.335 120.400 -0.074 0.000 2.472 128 D HA 0.272 4.916 4.640 0.007 0.000 0.237 128 D C -0.579 175.531 176.300 -0.316 0.000 1.141 128 D CA 0.664 54.524 54.000 -0.234 0.000 0.875 128 D CB 0.688 41.334 40.800 -0.258 0.000 1.192 128 D HN 0.412 nan 8.370 nan 0.000 0.450 129 D N 0.769 120.883 120.400 -0.477 0.000 2.408 129 D HA 0.268 4.912 4.640 0.007 0.000 0.243 129 D C -1.390 174.582 176.300 -0.546 0.000 1.075 129 D CA -0.583 53.209 54.000 -0.348 0.000 0.832 129 D CB 0.317 41.008 40.800 -0.182 0.000 1.162 129 D HN 0.043 nan 8.370 nan 0.000 0.515 130 F N 2.938 122.880 119.950 -0.014 0.000 2.311 130 F HA 0.527 5.058 4.527 0.007 0.000 0.371 130 F C 0.868 176.659 175.800 -0.016 0.000 1.083 130 F CA -1.024 56.965 58.000 -0.019 0.000 1.113 130 F CB 1.103 40.089 39.000 -0.023 0.000 1.349 130 F HN 0.415 nan 8.300 nan 0.000 0.470 131 A N 2.247 125.117 122.820 0.084 0.000 2.561 131 A HA 0.449 4.773 4.320 0.007 0.000 0.234 131 A C 0.621 178.243 177.584 0.064 0.000 1.055 131 A CA 0.028 52.097 52.037 0.053 0.000 0.756 131 A CB -0.128 18.885 19.000 0.022 0.000 0.986 131 A HN 0.892 nan 8.150 nan 0.000 0.505 132 A N 1.300 124.148 122.820 0.046 0.000 2.498 132 A HA 0.514 4.839 4.320 0.007 0.000 0.239 132 A C 1.654 179.255 177.584 0.029 0.000 1.068 132 A CA 0.767 52.826 52.037 0.038 0.000 0.766 132 A CB -0.476 18.544 19.000 0.033 0.000 1.003 132 A HN 2.780 nan 8.150 nan 0.000 0.497 133 G N 1.424 110.238 108.800 0.023 0.000 2.213 133 G HA2 -0.209 3.756 3.960 0.007 0.000 0.236 133 G HA3 -0.209 3.756 3.960 0.007 0.000 0.236 133 G C 0.512 175.424 174.900 0.021 0.000 0.991 133 G CA 0.370 45.481 45.100 0.019 0.000 0.629 133 G HN 1.211 nan 8.290 nan 0.000 0.517 134 T N 2.552 117.124 114.554 0.030 0.000 2.928 134 T HA 0.433 4.787 4.350 0.007 0.000 0.305 134 T C 0.610 175.325 174.700 0.025 0.000 1.035 134 T CA 1.029 63.151 62.100 0.037 0.000 1.145 134 T CB 1.016 69.926 68.868 0.070 0.000 0.963 134 T HN 0.247 nan 8.240 nan 0.000 0.545 135 T N 4.279 118.851 114.554 0.031 0.000 2.737 135 T HA 0.349 4.703 4.350 0.007 0.000 0.296 135 T C 0.323 175.059 174.700 0.061 0.000 0.922 135 T CA -0.534 61.589 62.100 0.037 0.000 1.079 135 T CB -0.266 68.632 68.868 0.049 0.000 0.892 135 T HN 0.683 nan 8.240 nan 0.000 0.514 136 c N 2.925 121.548 118.600 0.038 0.000 3.017 136 c HA 0.889 5.463 4.570 0.007 0.000 0.380 136 c C 0.005 174.127 174.090 0.053 0.000 1.583 136 c CA -0.669 55.701 56.329 0.069 0.000 1.616 136 c CB 1.542 44.025 42.510 -0.045 0.000 2.145 136 c HN 0.594 nan 8.230 nan 0.000 0.466 137 V N 0.219 120.140 119.914 0.012 0.000 2.841 137 V HA 0.723 4.847 4.120 0.007 0.000 0.310 137 V C -0.350 175.561 176.094 -0.305 0.000 1.090 137 V CA -0.172 62.035 62.300 -0.155 0.000 0.930 137 V CB 1.948 33.621 31.823 -0.249 0.000 1.014 137 V HN 0.966 nan 8.190 nan 0.000 0.425 138 T N 2.176 116.537 114.554 -0.321 0.000 2.893 138 T HA 0.822 5.176 4.350 0.007 0.000 0.291 138 T C -0.514 173.944 174.700 -0.402 0.000 1.028 138 T CA 0.050 61.971 62.100 -0.299 0.000 0.995 138 T CB 1.679 70.472 68.868 -0.125 0.000 1.051 138 T HN 1.107 nan 8.240 nan 0.000 0.470 139 T N 0.202 114.505 114.554 -0.419 0.000 2.883 139 T HA 0.934 5.288 4.350 0.007 0.000 0.296 139 T C 0.007 174.495 174.700 -0.353 0.000 1.117 139 T CA -0.283 61.516 62.100 -0.501 0.000 1.006 139 T CB 1.609 69.977 68.868 -0.834 0.000 1.191 139 T HN 1.284 nan 8.240 nan 0.000 0.508 140 G N -0.638 107.897 108.800 -0.443 0.000 2.336 140 G HA2 0.333 4.297 3.960 0.007 0.000 0.300 140 G HA3 0.333 4.297 3.960 0.007 0.000 0.300 140 G C -1.313 173.323 174.900 -0.441 0.000 1.375 140 G CA -0.822 44.057 45.100 -0.370 0.000 0.885 140 G HN 0.691 nan 8.290 nan 0.000 0.599 141 W N 1.267 122.463 121.300 -0.173 0.000 3.067 141 W HA 0.399 5.063 4.660 0.006 0.000 0.417 141 W C 1.151 177.556 176.519 -0.190 0.000 1.029 141 W CA -0.146 57.032 57.345 -0.279 0.000 1.992 141 W CB 0.789 29.901 29.460 -0.579 0.000 1.122 141 W HN 0.838 nan 8.180 nan 0.000 0.681 142 G N 0.937 109.787 108.800 0.083 0.000 2.667 142 G HA2 0.278 4.242 3.960 0.007 0.000 0.250 142 G HA3 0.278 4.242 3.960 0.007 0.000 0.250 142 G C 0.091 175.030 174.900 0.065 0.000 1.212 142 G CA -0.635 44.525 45.100 0.100 0.000 0.874 142 G HN -0.016 nan 8.290 nan 0.000 0.561 143 L N -0.142 121.131 121.223 0.084 0.000 2.543 143 L HA 0.047 4.391 4.340 0.007 0.000 0.285 143 L C 1.987 178.892 176.870 0.058 0.000 1.236 143 L CA 0.510 55.393 54.840 0.071 0.000 0.871 143 L CB 0.546 42.665 42.059 0.100 0.000 1.121 143 L HN 0.798 nan 8.230 nan 0.000 0.501 144 T N -1.486 113.093 114.554 0.041 0.000 3.040 144 T HA 0.120 4.475 4.350 0.007 0.000 0.250 144 T C 0.397 175.125 174.700 0.047 0.000 1.058 144 T CA -0.373 61.746 62.100 0.031 0.000 0.988 144 T CB 0.091 68.966 68.868 0.013 0.000 0.993 144 T HN 0.649 nan 8.240 nan 0.000 0.519 145 R N -0.045 120.492 120.500 0.063 0.000 2.515 145 R HA 0.396 4.740 4.340 0.007 0.000 0.278 145 R C -1.808 174.557 176.300 0.108 0.000 1.107 145 R CA -0.959 55.188 56.100 0.079 0.000 0.945 145 R CB 0.342 30.669 30.300 0.046 0.000 1.219 145 R HN 0.201 nan 8.270 nan 0.000 0.434 150 N N 0.364 119.068 118.700 0.008 0.000 2.459 150 N HA 0.744 5.488 4.740 0.007 0.000 0.288 150 N C 0.380 175.896 175.510 0.009 0.000 1.186 150 N CA 0.554 53.615 53.050 0.018 0.000 0.917 150 N CB 1.517 40.013 38.487 0.014 0.000 1.219 150 N HN 0.925 nan 8.380 nan 0.000 0.525 151 T N -0.492 114.062 114.554 0.000 0.000 2.898 151 T HA 0.355 4.709 4.350 0.007 0.000 0.301 151 T C -2.278 172.411 174.700 -0.018 0.000 1.049 151 T CA -1.102 60.994 62.100 -0.007 0.000 1.095 151 T CB 0.620 69.462 68.868 -0.042 0.000 0.976 151 T HN 0.422 nan 8.240 nan 0.000 0.539 152 P HA 0.268 nan 4.420 nan 0.000 0.275 152 P C -0.035 177.268 177.300 0.005 0.000 1.228 152 P CA -0.338 62.760 63.100 -0.003 0.000 0.786 152 P CB 0.813 32.509 31.700 -0.006 0.000 0.927 153 D N 1.233 121.609 120.400 -0.040 0.000 2.149 153 D HA -0.033 4.611 4.640 0.007 0.000 0.201 153 D C 0.750 177.013 176.300 -0.061 0.000 0.972 153 D CA 1.292 55.241 54.000 -0.085 0.000 0.835 153 D CB 0.128 40.867 40.800 -0.102 0.000 0.966 153 D HN 0.386 nan 8.370 nan 0.000 0.476 154 R N 0.478 120.894 120.500 -0.139 0.000 2.404 154 R HA 0.320 4.665 4.340 0.007 0.000 0.291 154 R C -0.278 175.834 176.300 -0.314 0.000 1.025 154 R CA -1.011 54.837 56.100 -0.420 0.000 0.991 154 R CB 1.358 31.301 30.300 -0.595 0.000 1.053 154 R HN -0.027 nan 8.270 nan 0.000 0.479 155 L N 2.758 123.681 121.223 -0.500 0.000 2.578 155 L HA -0.084 4.260 4.340 0.007 0.000 0.279 155 L C -0.359 176.285 176.870 -0.376 0.000 1.227 155 L CA 1.138 55.492 54.840 -0.810 0.000 0.900 155 L CB 0.326 42.002 42.059 -0.638 0.000 1.144 155 L HN 0.467 nan 8.230 nan 0.000 0.496 156 Q N 4.405 123.954 119.800 -0.419 0.000 2.297 156 Q HA 0.521 4.865 4.340 0.007 0.000 0.269 156 Q C -1.061 174.793 176.000 -0.242 0.000 1.051 156 Q CA -0.591 55.082 55.803 -0.218 0.000 0.869 156 Q CB 2.006 30.642 28.738 -0.170 0.000 1.346 156 Q HN 0.777 nan 8.270 nan 0.000 0.457 157 Q N -1.096 118.614 119.800 -0.151 0.000 2.462 157 Q HA 0.898 5.242 4.340 0.007 0.000 0.285 157 Q C -1.777 174.154 176.000 -0.116 0.000 1.035 157 Q CA -1.204 54.479 55.803 -0.200 0.000 0.799 157 Q CB 2.226 30.910 28.738 -0.089 0.000 1.452 157 Q HN 0.552 nan 8.270 nan 0.000 0.404 158 A N 0.967 123.704 122.820 -0.138 0.000 2.540 158 A HA 0.665 4.989 4.320 0.007 0.000 0.297 158 A C -1.201 176.344 177.584 -0.065 0.000 1.056 158 A CA -0.680 51.315 52.037 -0.070 0.000 0.700 158 A CB 2.206 21.172 19.000 -0.057 0.000 1.280 158 A HN 0.572 nan 8.150 nan 0.000 0.398 159 S N 1.043 116.735 115.700 -0.014 0.000 2.554 159 S HA 0.796 5.270 4.470 0.007 0.000 0.278 159 S C -0.299 174.296 174.600 -0.008 0.000 1.242 159 S CA -0.403 57.802 58.200 0.009 0.000 1.051 159 S CB 0.586 63.816 63.200 0.050 0.000 0.986 159 S HN 1.241 nan 8.310 nan 0.000 0.502 160 L N 0.374 121.586 121.223 -0.018 0.000 2.582 160 L HA 0.760 5.104 4.340 0.007 0.000 0.257 160 L C -3.197 173.654 176.870 -0.032 0.000 0.974 160 L CA -2.303 52.521 54.840 -0.026 0.000 0.851 160 L CB 2.356 44.390 42.059 -0.041 0.000 1.424 160 L HN 0.332 nan 8.230 nan 0.000 0.412 161 P HA 0.356 nan 4.420 nan 0.000 0.282 161 P C -0.846 176.434 177.300 -0.034 0.000 1.249 161 P CA -0.422 62.668 63.100 -0.017 0.000 0.806 161 P CB 1.774 33.472 31.700 -0.002 0.000 0.984 162 L N 2.584 123.788 121.223 -0.031 0.000 2.417 162 L HA 0.312 4.656 4.340 0.007 0.000 0.268 162 L C 0.676 177.546 176.870 -0.001 0.000 1.158 162 L CA -0.522 54.297 54.840 -0.035 0.000 0.819 162 L CB 0.035 42.083 42.059 -0.017 0.000 1.112 162 L HN 0.237 nan 8.230 nan 0.000 0.458 163 L N 1.511 122.740 121.223 0.010 0.000 2.334 163 L HA 0.427 4.771 4.340 0.007 0.000 0.273 163 L C 0.371 177.265 176.870 0.040 0.000 1.013 163 L CA -0.637 54.221 54.840 0.029 0.000 0.816 163 L CB 1.977 44.060 42.059 0.041 0.000 1.278 163 L HN 0.680 nan 8.230 nan 0.000 0.431 164 S N 0.081 115.806 115.700 0.043 0.000 2.585 164 S HA 0.154 4.628 4.470 0.007 0.000 0.273 164 S C 0.754 175.390 174.600 0.059 0.000 1.339 164 S CA -0.737 57.491 58.200 0.047 0.000 1.028 164 S CB 0.884 64.108 63.200 0.041 0.000 0.906 164 S HN 0.610 nan 8.310 nan 0.000 0.528 165 N N 1.855 120.592 118.700 0.062 0.000 2.149 165 N HA -0.106 4.638 4.740 0.007 0.000 0.188 165 N C 1.618 177.176 175.510 0.081 0.000 1.019 165 N CA 1.756 54.851 53.050 0.075 0.000 0.857 165 N CB -1.026 37.502 38.487 0.069 0.000 0.997 165 N HN 0.750 nan 8.380 nan 0.000 0.426 166 T N 0.936 115.529 114.554 0.065 0.000 2.746 166 T HA -0.118 4.236 4.350 0.007 0.000 0.267 166 T C 1.714 176.454 174.700 0.066 0.000 1.039 166 T CA 1.016 63.153 62.100 0.061 0.000 1.142 166 T CB -0.283 68.612 68.868 0.045 0.000 0.866 166 T HN 0.447 nan 8.240 nan 0.000 0.444 167 N N -0.412 118.325 118.700 0.063 0.000 2.188 167 N HA -0.115 4.630 4.740 0.007 0.000 0.184 167 N C 2.231 177.794 175.510 0.089 0.000 1.018 167 N CA 0.952 54.039 53.050 0.062 0.000 0.858 167 N CB -0.201 38.315 38.487 0.048 0.000 0.989 167 N HN 0.339 nan 8.380 nan 0.000 0.426 168 c N 1.458 120.126 118.600 0.113 0.000 2.453 168 c HA 0.025 4.599 4.570 0.007 0.000 0.277 168 c C 2.330 176.561 174.090 0.235 0.000 1.262 168 c CA 0.799 57.237 56.329 0.181 0.000 1.718 168 c CB -0.914 41.707 42.510 0.184 0.000 2.031 168 c HN 0.421 nan 8.230 nan 0.000 0.480 169 K N 0.320 120.832 120.400 0.187 0.000 2.360 169 K HA -0.132 4.192 4.320 0.007 0.000 0.201 169 K C 1.956 178.635 176.600 0.131 0.000 1.046 169 K CA 1.050 57.447 56.287 0.184 0.000 0.945 169 K CB -0.154 32.425 32.500 0.132 0.000 0.750 169 K HN 0.577 nan 8.250 nan 0.000 0.464 170 K N -0.489 119.974 120.400 0.105 0.000 2.281 170 K HA -0.196 4.128 4.320 0.007 0.000 0.203 170 K C 1.572 178.200 176.600 0.047 0.000 1.046 170 K CA 1.337 57.662 56.287 0.064 0.000 0.938 170 K CB -0.017 32.519 32.500 0.059 0.000 0.737 170 K HN 0.238 nan 8.250 nan 0.000 0.458 171 Y N -1.522 118.731 120.300 -0.078 0.000 2.569 171 Y HA 0.010 4.563 4.550 0.006 0.000 0.278 171 Y C 1.188 176.946 175.900 -0.237 0.000 1.130 171 Y CA 0.331 58.283 58.100 -0.247 0.000 1.280 171 Y CB 0.037 38.230 38.460 -0.445 0.000 1.379 171 Y HN -0.025 nan 8.280 nan 0.000 0.508 172 W N 1.483 122.941 121.300 0.263 0.000 3.047 172 W HA 0.286 4.949 4.660 0.006 0.000 0.250 172 W C 1.696 178.288 176.519 0.122 0.000 1.314 172 W CA 0.821 58.299 57.345 0.221 0.000 1.540 172 W CB -0.368 29.282 29.460 0.317 0.000 1.127 172 W HN 0.453 nan 8.180 nan 0.000 0.679 173 G N 1.326 110.279 108.800 0.255 0.000 2.614 173 G HA2 -0.490 3.474 3.960 0.007 0.000 0.303 173 G HA3 -0.490 3.474 3.960 0.007 0.000 0.303 173 G C 0.971 175.980 174.900 0.182 0.000 1.270 173 G CA 1.711 46.910 45.100 0.164 0.000 0.988 173 G HN 0.302 nan 8.290 nan 0.000 0.551 174 T N -0.863 113.769 114.554 0.129 0.000 3.163 174 T HA 0.150 4.504 4.350 0.007 0.000 0.260 174 T C 1.776 176.547 174.700 0.119 0.000 1.156 174 T CA 1.658 63.821 62.100 0.105 0.000 1.072 174 T CB 0.016 68.921 68.868 0.062 0.000 0.937 174 T HN 0.481 nan 8.240 nan 0.000 0.528 175 K N 0.793 121.303 120.400 0.185 0.000 2.366 175 K HA 0.184 4.509 4.320 0.007 0.000 0.198 175 K C 0.634 177.375 176.600 0.236 0.000 1.044 175 K CA 0.102 56.488 56.287 0.165 0.000 0.973 175 K CB -0.064 32.571 32.500 0.224 0.000 0.767 175 K HN 0.431 nan 8.250 nan 0.000 0.475 176 I N 3.064 123.787 120.570 0.254 0.000 2.379 176 I HA 0.040 4.214 4.170 0.007 0.000 0.290 176 I C 0.581 176.786 176.117 0.145 0.000 1.063 176 I CA -0.228 61.204 61.300 0.219 0.000 1.351 176 I CB 0.380 38.496 38.000 0.193 0.000 1.410 176 I HN -0.177 nan 8.210 nan 0.000 0.505 177 K N 4.570 125.051 120.400 0.135 0.000 2.210 177 K HA 0.230 4.555 4.320 0.007 0.000 0.236 177 K C 0.830 177.477 176.600 0.079 0.000 1.016 177 K CA -0.575 55.764 56.287 0.088 0.000 0.913 177 K CB 0.796 33.336 32.500 0.067 0.000 1.141 177 K HN 0.451 nan 8.250 nan 0.000 0.462 178 D N -0.475 119.960 120.400 0.059 0.000 2.309 178 D HA -0.105 4.540 4.640 0.007 0.000 0.212 178 D C 0.697 177.032 176.300 0.059 0.000 0.968 178 D CA 0.856 54.890 54.000 0.055 0.000 0.882 178 D CB -0.051 40.775 40.800 0.043 0.000 0.918 178 D HN 0.385 nan 8.370 nan 0.000 0.503 179 A N -0.447 122.411 122.820 0.064 0.000 2.610 179 A HA 0.461 4.786 4.320 0.007 0.000 0.286 179 A C 0.287 177.921 177.584 0.084 0.000 1.306 179 A CA -0.518 51.560 52.037 0.067 0.000 0.942 179 A CB -0.388 18.645 19.000 0.055 0.000 1.112 179 A HN 0.166 nan 8.150 nan 0.000 0.527 180 M N -0.117 119.534 119.600 0.084 0.000 2.535 180 M HA 0.611 5.095 4.480 0.007 0.000 0.314 180 M C -0.924 175.411 176.300 0.058 0.000 1.153 180 M CA -0.417 54.928 55.300 0.076 0.000 0.924 180 M CB 2.557 35.209 32.600 0.087 0.000 1.710 180 M HN 0.260 nan 8.290 nan 0.000 0.451 181 I N 1.061 121.663 120.570 0.052 0.000 2.569 181 I HA 0.524 4.698 4.170 0.007 0.000 0.290 181 I C -1.389 174.767 176.117 0.066 0.000 1.088 181 I CA -0.487 60.844 61.300 0.051 0.000 1.047 181 I CB 1.376 39.399 38.000 0.038 0.000 1.237 181 I HN 0.779 nan 8.210 nan 0.000 0.421 182 c N 5.936 124.566 118.600 0.050 0.000 2.365 182 c HA 0.999 5.573 4.570 0.007 0.000 0.349 182 c C 0.320 174.442 174.090 0.053 0.000 1.191 182 c CA -0.228 56.145 56.329 0.074 0.000 2.114 182 c CB 0.699 43.245 42.510 0.061 0.000 2.367 182 c HN 0.863 nan 8.230 nan 0.000 0.530 183 A N 1.067 123.945 122.820 0.097 0.000 2.604 183 A HA 0.914 5.238 4.320 0.007 0.000 0.295 183 A C -0.129 177.497 177.584 0.071 0.000 1.067 183 A CA 0.432 52.466 52.037 -0.005 0.000 0.683 183 A CB 0.827 19.677 19.000 -0.250 0.000 1.281 183 A HN 2.550 nan 8.150 nan 0.000 0.407 184 G N -0.023 108.787 108.800 0.017 0.000 2.501 184 G HA2 0.498 4.462 3.960 0.007 0.000 0.213 184 G HA3 0.498 4.462 3.960 0.007 0.000 0.213 184 G C 0.883 175.783 174.900 0.001 0.000 1.158 184 G CA 1.589 46.703 45.100 0.023 0.000 1.079 184 G HN 2.660 nan 8.290 nan 0.000 0.586 185 A N -1.866 120.944 122.820 -0.016 0.000 2.816 185 A HA 0.075 4.399 4.320 0.007 0.000 0.270 185 A C 1.624 179.187 177.584 -0.035 0.000 1.413 185 A CA 2.770 54.775 52.037 -0.053 0.000 0.866 185 A CB -2.157 16.800 19.000 -0.072 0.000 1.032 185 A HN 2.628 nan 8.150 nan 0.000 0.642 186 S N -2.508 113.180 115.700 -0.019 0.000 2.663 186 S HA 0.515 4.989 4.470 0.007 0.000 0.243 186 S C 1.611 176.206 174.600 -0.009 0.000 1.009 186 S CA 0.988 59.181 58.200 -0.012 0.000 0.988 186 S CB 0.340 63.536 63.200 -0.006 0.000 0.896 186 S HN 2.437 nan 8.310 nan 0.000 0.502 187 G N 0.385 109.177 108.800 -0.013 0.000 2.184 187 G HA2 -0.177 3.787 3.960 0.007 0.000 0.206 187 G HA3 -0.177 3.787 3.960 0.007 0.000 0.206 187 G C 0.014 174.912 174.900 -0.003 0.000 0.995 187 G CA 0.012 45.108 45.100 -0.007 0.000 0.651 187 G HN 1.604 nan 8.290 nan 0.000 0.511 188 V N -2.665 117.247 119.914 -0.003 0.000 3.141 188 V HA 0.987 5.112 4.120 0.007 0.000 0.312 188 V C -0.282 175.816 176.094 0.006 0.000 1.157 188 V CA -0.174 62.127 62.300 0.001 0.000 1.041 188 V CB 1.870 33.692 31.823 -0.002 0.000 1.071 188 V HN 1.559 nan 8.190 nan 0.000 0.441 189 S N 0.581 116.289 115.700 0.012 0.000 2.548 189 S HA 0.599 5.073 4.470 0.007 0.000 0.278 189 S C -0.492 174.123 174.600 0.025 0.000 1.150 189 S CA -0.258 57.953 58.200 0.019 0.000 0.907 189 S CB 1.873 65.076 63.200 0.006 0.000 1.108 189 S HN 1.262 nan 8.310 nan 0.000 0.459 190 S N 1.969 117.687 115.700 0.030 0.000 2.600 190 S HA 0.642 5.116 4.470 0.007 0.000 0.265 190 S C -0.057 174.556 174.600 0.020 0.000 1.325 190 S CA -0.308 57.904 58.200 0.021 0.000 1.002 190 S CB 0.939 64.131 63.200 -0.013 0.000 0.921 190 S HN 0.885 nan 8.310 nan 0.000 0.554 191 c N 1.653 120.281 118.600 0.047 0.000 3.314 191 c HA 0.502 5.076 4.570 0.007 0.000 0.344 191 c C -0.338 173.824 174.090 0.119 0.000 1.461 191 c CA -1.032 55.349 56.329 0.087 0.000 1.249 191 c CB 1.143 43.719 42.510 0.110 0.000 1.632 191 c HN 0.983 nan 8.230 nan 0.000 0.452 192 M N 2.244 121.941 119.600 0.161 0.000 2.487 192 M HA 0.286 4.770 4.480 0.007 0.000 0.398 192 M C 1.155 177.561 176.300 0.177 0.000 1.685 192 M CA 2.470 57.877 55.300 0.178 0.000 0.988 192 M CB -0.473 32.245 32.600 0.196 0.000 2.129 192 M HN 1.367 nan 8.290 nan 0.000 0.485 193 G N 3.444 112.363 108.800 0.199 0.000 2.253 193 G HA2 -0.200 3.764 3.960 0.007 0.000 0.209 193 G HA3 -0.200 3.764 3.960 0.007 0.000 0.209 193 G C 0.359 175.428 174.900 0.283 0.000 0.997 193 G CA 0.153 45.407 45.100 0.256 0.000 0.640 193 G HN 0.714 nan 8.290 nan 0.000 0.496 194 D N 0.970 121.478 120.400 0.180 0.000 2.305 194 D HA 0.176 4.820 4.640 0.007 0.000 0.206 194 D C 1.456 177.825 176.300 0.115 0.000 0.974 194 D CA 0.742 54.822 54.000 0.133 0.000 0.871 194 D CB 0.058 40.900 40.800 0.070 0.000 0.947 194 D HN 0.331 nan 8.370 nan 0.000 0.516 195 S N -0.617 115.163 115.700 0.133 0.000 2.571 195 S HA 0.215 4.689 4.470 0.007 0.000 0.298 195 S C 1.547 176.175 174.600 0.046 0.000 1.280 195 S CA 1.009 59.292 58.200 0.139 0.000 1.052 195 S CB 0.702 64.084 63.200 0.304 0.000 0.799 195 S HN 0.499 nan 8.310 nan 0.000 0.501 196 G N 2.182 110.999 108.800 0.029 0.000 2.267 196 G HA2 -0.216 3.748 3.960 0.007 0.000 0.257 196 G HA3 -0.216 3.748 3.960 0.007 0.000 0.257 196 G C 0.491 175.421 174.900 0.049 0.000 0.998 196 G CA 0.191 45.291 45.100 0.000 0.000 0.620 196 G HN 1.147 nan 8.290 nan 0.000 0.529 197 G N 0.837 109.677 108.800 0.067 0.000 2.653 197 G HA2 0.579 4.543 3.960 0.007 0.000 0.265 197 G HA3 0.579 4.543 3.960 0.007 0.000 0.265 197 G C -1.864 173.080 174.900 0.073 0.000 1.237 197 G CA -0.089 45.054 45.100 0.071 0.000 0.946 197 G HN 0.425 nan 8.290 nan 0.000 0.522 198 P HA 0.377 nan 4.420 nan 0.000 0.285 198 P C -1.241 176.027 177.300 -0.052 0.000 1.269 198 P CA -0.605 62.507 63.100 0.020 0.000 0.844 198 P CB 2.116 33.862 31.700 0.076 0.000 1.094 199 L N 3.504 124.666 121.223 -0.101 0.000 2.427 199 L HA 0.386 4.730 4.340 0.007 0.000 0.264 199 L C -0.873 175.880 176.870 -0.196 0.000 0.989 199 L CA -0.827 53.874 54.840 -0.232 0.000 0.865 199 L CB 1.004 42.806 42.059 -0.428 0.000 1.209 199 L HN 0.200 nan 8.230 nan 0.000 0.430 200 V N 1.296 121.134 119.914 -0.128 0.000 2.715 200 V HA 0.877 5.001 4.120 0.007 0.000 0.310 200 V C -0.254 175.953 176.094 0.188 0.000 1.054 200 V CA -0.594 61.715 62.300 0.014 0.000 0.928 200 V CB 1.354 33.277 31.823 0.165 0.000 1.007 200 V HN 0.808 nan 8.190 nan 0.000 0.437 201 c N 2.392 121.067 118.600 0.125 0.000 2.898 201 c HA 0.600 5.174 4.570 0.007 0.000 0.304 201 c C -0.023 174.054 174.090 -0.021 0.000 1.237 201 c CA -1.054 55.326 56.329 0.085 0.000 1.529 201 c CB 1.759 44.221 42.510 -0.080 0.000 2.021 201 c HN 0.999 nan 8.230 nan 0.000 0.474 202 K N 1.360 121.599 120.400 -0.267 0.000 2.270 202 K HA 0.326 4.650 4.320 0.007 0.000 0.276 202 K C -0.264 176.265 176.600 -0.118 0.000 1.023 202 K CA 0.038 56.081 56.287 -0.408 0.000 0.955 202 K CB 0.698 32.821 32.500 -0.628 0.000 0.975 202 K HN 0.600 nan 8.250 nan 0.000 0.471 203 K N 3.509 123.856 120.400 -0.088 0.000 2.701 203 K HA 0.080 4.404 4.320 0.007 0.000 0.212 203 K C -1.069 175.503 176.600 -0.047 0.000 1.035 203 K CA -0.286 56.001 56.287 -0.000 0.000 1.048 203 K CB 0.175 32.733 32.500 0.097 0.000 1.234 203 K HN 0.619 nan 8.250 nan 0.000 0.540 204 N N 2.610 121.270 118.700 -0.066 0.000 2.771 204 N HA -0.162 4.582 4.740 0.007 0.000 0.249 204 N C 0.413 175.879 175.510 -0.073 0.000 1.069 204 N CA 1.310 54.324 53.050 -0.061 0.000 0.688 204 N CB -1.226 37.238 38.487 -0.039 0.000 0.928 204 N HN 1.073 nan 8.380 nan 0.000 0.551 205 G N -2.048 106.682 108.800 -0.118 0.000 2.184 205 G HA2 -0.100 3.864 3.960 0.007 0.000 0.264 205 G HA3 -0.100 3.864 3.960 0.007 0.000 0.264 205 G C 0.144 174.960 174.900 -0.140 0.000 0.975 205 G CA 0.908 45.933 45.100 -0.125 0.000 0.642 205 G HN 1.318 nan 8.290 nan 0.000 0.536 206 A N -0.983 121.746 122.820 -0.152 0.000 2.401 206 A HA 0.715 5.039 4.320 0.007 0.000 0.310 206 A C -0.581 176.905 177.584 -0.163 0.000 1.075 206 A CA -0.742 51.242 52.037 -0.088 0.000 0.746 206 A CB 0.937 19.937 19.000 -0.001 0.000 1.277 206 A HN 0.627 nan 8.150 nan 0.000 0.425 207 W N 1.190 122.508 121.300 0.030 0.000 2.311 207 W HA 0.511 5.176 4.660 0.007 0.000 0.310 207 W C 0.054 176.445 176.519 -0.214 0.000 1.274 207 W CA 0.438 57.766 57.345 -0.029 0.000 1.215 207 W CB 1.596 31.121 29.460 0.108 0.000 1.227 207 W HN 0.569 nan 8.180 nan 0.000 0.523 208 T N 4.296 118.870 114.554 0.033 0.000 2.841 208 T HA 0.297 4.651 4.350 0.007 0.000 0.283 208 T C -0.933 173.666 174.700 -0.169 0.000 1.000 208 T CA -0.827 61.225 62.100 -0.081 0.000 0.977 208 T CB 1.266 70.138 68.868 0.007 0.000 0.979 208 T HN 0.154 nan 8.240 nan 0.000 0.446 209 L N 4.680 125.782 121.223 -0.202 0.000 2.485 209 L HA 0.232 4.576 4.340 0.007 0.000 0.279 209 L C 0.795 177.531 176.870 -0.222 0.000 1.124 209 L CA 0.553 55.273 54.840 -0.199 0.000 0.888 209 L CB 0.072 42.038 42.059 -0.153 0.000 1.217 209 L HN 0.600 nan 8.230 nan 0.000 0.464 210 V N 4.202 123.927 119.914 -0.316 0.000 3.125 210 V HA 0.435 4.559 4.120 0.007 0.000 0.249 210 V C 1.032 177.000 176.094 -0.210 0.000 1.113 210 V CA 0.817 62.864 62.300 -0.422 0.000 1.106 210 V CB 0.047 31.453 31.823 -0.695 0.000 0.768 210 V HN 0.855 nan 8.190 nan 0.000 0.468 211 G N -0.673 108.032 108.800 -0.158 0.000 2.692 211 G HA2 0.699 4.663 3.960 0.007 0.000 0.291 211 G HA3 0.699 4.663 3.960 0.007 0.000 0.291 211 G C -1.692 173.242 174.900 0.057 0.000 1.423 211 G CA -0.556 44.523 45.100 -0.034 0.000 0.843 211 G HN 0.017 nan 8.290 nan 0.000 0.486 212 I N 0.883 121.550 120.570 0.161 0.000 2.436 212 I HA 0.256 4.430 4.170 0.007 0.000 0.289 212 I C 0.122 176.368 176.117 0.215 0.000 1.010 212 I CA -1.065 60.330 61.300 0.159 0.000 1.098 212 I CB 2.232 40.295 38.000 0.105 0.000 1.266 212 I HN 0.157 nan 8.210 nan 0.000 0.434 213 V N 5.207 125.242 119.914 0.201 0.000 2.584 213 V HA -0.062 4.062 4.120 0.007 0.000 0.303 213 V C 0.821 176.918 176.094 0.005 0.000 1.035 213 V CA 0.842 63.142 62.300 0.001 0.000 1.172 213 V CB 0.671 32.518 31.823 0.040 0.000 0.896 213 V HN 0.987 nan 8.190 nan 0.000 0.486 214 S N 4.779 120.386 115.700 -0.155 0.000 3.393 214 S HA 0.389 4.863 4.470 0.007 0.000 0.209 214 S C -0.121 174.495 174.600 0.026 0.000 0.897 214 S CA 0.042 58.294 58.200 0.088 0.000 0.825 214 S CB 0.593 63.854 63.200 0.102 0.000 0.898 214 S HN 0.888 nan 8.310 nan 0.000 0.615 215 W N -0.060 121.055 121.300 -0.309 0.000 2.961 215 W HA 0.647 5.310 4.660 0.005 0.000 0.368 215 W C -0.124 176.187 176.519 -0.346 0.000 1.213 215 W CA -0.379 56.774 57.345 -0.320 0.000 1.173 215 W CB 0.259 29.515 29.460 -0.339 0.000 1.487 215 W HN 0.672 nan 8.180 nan 0.000 0.585 216 G N 0.339 109.163 108.800 0.041 0.000 2.512 216 G HA2 0.249 4.213 3.960 0.007 0.000 0.181 216 G HA3 0.249 4.213 3.960 0.007 0.000 0.181 216 G C -1.066 174.026 174.900 0.319 0.000 1.173 216 G CA -0.179 44.883 45.100 -0.064 0.000 0.988 216 G HN 0.796 nan 8.290 nan 0.000 0.485 217 S N -0.017 115.903 115.700 0.367 0.000 2.563 217 S HA 0.297 4.771 4.470 0.007 0.000 0.294 217 S C 1.489 176.158 174.600 0.114 0.000 1.279 217 S CA 0.805 59.180 58.200 0.292 0.000 1.069 217 S CB 0.604 63.855 63.200 0.086 0.000 0.828 217 S HN 0.850 nan 8.310 nan 0.000 0.497 218 S N 2.825 118.583 115.700 0.098 0.000 2.555 218 S HA -0.008 4.466 4.470 0.007 0.000 0.230 218 S C 1.486 175.874 174.600 -0.354 0.000 0.978 218 S CA 0.965 59.151 58.200 -0.022 0.000 0.934 218 S CB -0.126 63.104 63.200 0.049 0.000 0.766 218 S HN 0.968 nan 8.310 nan 0.000 0.533 219 T N -2.988 111.285 114.554 -0.468 0.000 3.145 219 T HA 0.194 4.548 4.350 0.007 0.000 0.281 219 T C 0.541 174.880 174.700 -0.601 0.000 1.003 219 T CA -0.151 61.323 62.100 -1.044 0.000 0.901 219 T CB -0.884 67.672 68.868 -0.520 0.000 1.112 219 T HN 0.210 nan 8.240 nan 0.000 0.535 220 c N 1.877 120.304 118.600 -0.289 0.000 4.235 220 c HA -0.145 4.430 4.570 0.007 0.000 0.301 220 c C 0.999 175.054 174.090 -0.059 0.000 1.409 220 c CA 0.353 56.627 56.329 -0.092 0.000 2.024 220 c CB -3.301 39.211 42.510 0.003 0.000 1.286 220 c HN 0.896 nan 8.230 nan 0.000 0.746 221 S N 0.784 116.439 115.700 -0.075 0.000 2.533 221 S HA 0.331 4.805 4.470 0.007 0.000 0.282 221 S C 1.503 176.070 174.600 -0.055 0.000 1.304 221 S CA 0.576 58.739 58.200 -0.061 0.000 1.063 221 S CB 0.848 64.000 63.200 -0.080 0.000 0.881 221 S HN 0.935 nan 8.310 nan 0.000 0.493 222 T N 1.249 115.781 114.554 -0.037 0.000 3.118 222 T HA -0.018 4.336 4.350 0.007 0.000 0.260 222 T C 1.288 175.956 174.700 -0.053 0.000 1.139 222 T CA 0.785 62.866 62.100 -0.032 0.000 1.085 222 T CB -0.383 68.477 68.868 -0.014 0.000 0.934 222 T HN 0.636 nan 8.240 nan 0.000 0.518 223 S N -0.272 115.379 115.700 -0.081 0.000 2.572 223 S HA 0.274 4.748 4.470 0.007 0.000 0.228 223 S C 0.333 174.812 174.600 -0.202 0.000 0.963 223 S CA -0.680 57.458 58.200 -0.104 0.000 0.939 223 S CB -0.017 63.135 63.200 -0.080 0.000 0.804 223 S HN 0.365 nan 8.310 nan 0.000 0.480 224 T N 4.267 118.676 114.554 -0.241 0.000 2.856 224 T HA 0.552 4.906 4.350 0.007 0.000 0.283 224 T C -3.050 171.528 174.700 -0.204 0.000 1.008 224 T CA -1.647 60.188 62.100 -0.441 0.000 0.997 224 T CB 1.661 70.230 68.868 -0.498 0.000 0.992 224 T HN -0.009 nan 8.240 nan 0.000 0.454 225 P HA 0.297 nan 4.420 nan 0.000 0.271 225 P C -0.021 177.365 177.300 0.144 0.000 1.220 225 P CA -0.170 62.972 63.100 0.069 0.000 0.768 225 P CB 0.413 32.212 31.700 0.165 0.000 0.848 226 G N 2.132 110.965 108.800 0.054 0.000 2.395 226 G HA2 0.472 4.437 3.960 0.007 0.000 0.283 226 G HA3 0.472 4.437 3.960 0.007 0.000 0.283 226 G C -0.862 173.870 174.900 -0.280 0.000 1.178 226 G CA -0.370 44.660 45.100 -0.117 0.000 0.837 226 G HN 0.337 nan 8.290 nan 0.000 0.518 227 V N 2.082 121.510 119.914 -0.811 0.000 2.417 227 V HA 0.449 4.573 4.120 0.007 0.000 0.291 227 V C -0.971 174.627 176.094 -0.827 0.000 1.024 227 V CA -0.712 61.053 62.300 -0.893 0.000 0.861 227 V CB 0.698 31.403 31.823 -1.863 0.000 0.985 227 V HN 0.621 nan 8.190 nan 0.000 0.436 228 Y N 1.667 121.790 120.300 -0.295 0.000 2.524 228 Y HA 0.742 5.296 4.550 0.007 0.000 0.344 228 Y C 0.537 176.397 175.900 -0.067 0.000 1.012 228 Y CA -1.091 56.923 58.100 -0.143 0.000 1.068 228 Y CB 1.640 40.035 38.460 -0.108 0.000 1.249 228 Y HN 0.706 nan 8.280 nan 0.000 0.468 229 A N 2.459 125.359 122.820 0.134 0.000 2.454 229 A HA 0.299 4.624 4.320 0.007 0.000 0.260 229 A C 0.287 177.931 177.584 0.100 0.000 1.106 229 A CA -0.524 51.582 52.037 0.115 0.000 0.780 229 A CB -0.062 19.005 19.000 0.111 0.000 1.044 229 A HN 0.797 nan 8.150 nan 0.000 0.498 230 R N 3.491 124.041 120.500 0.083 0.000 2.291 230 R HA 0.251 4.596 4.340 0.007 0.000 0.333 230 R C 0.476 176.817 176.300 0.069 0.000 1.082 230 R CA -0.304 55.837 56.100 0.068 0.000 0.948 230 R CB 0.212 30.555 30.300 0.072 0.000 1.009 230 R HN 0.578 nan 8.270 nan 0.000 0.460 231 V N 3.276 123.221 119.914 0.052 0.000 2.392 231 V HA -0.280 3.844 4.120 0.007 0.000 0.249 231 V C 2.406 178.554 176.094 0.089 0.000 1.059 231 V CA 2.379 64.718 62.300 0.065 0.000 1.051 231 V CB -0.690 31.149 31.823 0.027 0.000 0.658 231 V HN 0.932 nan 8.190 nan 0.000 0.455 232 T N -0.750 113.868 114.554 0.107 0.000 2.803 232 T HA -0.158 4.196 4.350 0.007 0.000 0.269 232 T C 1.761 176.520 174.700 0.098 0.000 1.052 232 T CA 1.497 63.672 62.100 0.124 0.000 1.136 232 T CB -0.443 68.523 68.868 0.162 0.000 0.864 232 T HN 0.503 nan 8.240 nan 0.000 0.467 233 A N 0.478 123.352 122.820 0.090 0.000 2.208 233 A HA 0.496 4.821 4.320 0.007 0.000 0.209 233 A C 2.026 179.663 177.584 0.089 0.000 1.161 233 A CA 0.384 52.468 52.037 0.080 0.000 0.782 233 A CB -0.396 18.645 19.000 0.068 0.000 0.816 233 A HN 0.581 nan 8.150 nan 0.000 0.477 234 L N -1.962 119.326 121.223 0.110 0.000 2.920 234 L HA 0.163 4.507 4.340 0.007 0.000 0.257 234 L C 1.856 178.865 176.870 0.231 0.000 1.150 234 L CA 0.031 54.966 54.840 0.158 0.000 0.959 234 L CB 0.537 42.669 42.059 0.121 0.000 1.321 234 L HN 0.151 nan 8.230 nan 0.000 0.555 235 V N 0.887 120.892 119.914 0.152 0.000 2.626 235 V HA -0.205 3.919 4.120 0.007 0.000 0.252 235 V C 2.100 178.245 176.094 0.085 0.000 1.067 235 V CA 1.891 64.259 62.300 0.113 0.000 1.081 235 V CB -0.192 31.673 31.823 0.071 0.000 0.686 235 V HN 0.520 nan 8.190 nan 0.000 0.468 236 N N -0.661 118.100 118.700 0.102 0.000 2.188 236 N HA -0.207 4.537 4.740 0.007 0.000 0.184 236 N C 1.392 176.950 175.510 0.080 0.000 1.018 236 N CA 1.892 54.982 53.050 0.067 0.000 0.858 236 N CB -0.519 38.012 38.487 0.074 0.000 0.989 236 N HN 0.825 nan 8.380 nan 0.000 0.426 237 W N 1.827 123.116 121.300 -0.018 0.000 2.388 237 W HA -0.071 4.593 4.660 0.007 0.000 0.294 237 W C 1.807 178.290 176.519 -0.061 0.000 1.212 237 W CA 0.746 58.079 57.345 -0.019 0.000 1.271 237 W CB -0.315 29.153 29.460 0.014 0.000 1.126 237 W HN -0.244 nan 8.180 nan 0.000 0.535 238 V N 1.347 121.216 119.914 -0.074 0.000 2.261 238 V HA -0.348 3.776 4.120 0.007 0.000 0.246 238 V C 2.633 178.443 176.094 -0.474 0.000 1.047 238 V CA 2.235 64.314 62.300 -0.370 0.000 1.015 238 V CB -1.078 30.702 31.823 -0.072 0.000 0.642 238 V HN 0.193 nan 8.190 nan 0.000 0.446 239 Q N -0.182 119.448 119.800 -0.284 0.000 2.096 239 Q HA -0.249 4.095 4.340 0.007 0.000 0.204 239 Q C 2.261 178.063 176.000 -0.329 0.000 0.982 239 Q CA 1.776 57.411 55.803 -0.279 0.000 0.850 239 Q CB -0.447 28.196 28.738 -0.158 0.000 0.901 239 Q HN 0.720 nan 8.270 nan 0.000 0.422 240 Q N -0.332 119.284 119.800 -0.307 0.000 2.084 240 Q HA -0.102 4.242 4.340 0.007 0.000 0.202 240 Q C 2.097 177.853 176.000 -0.406 0.000 0.978 240 Q CA 1.673 57.307 55.803 -0.283 0.000 0.844 240 Q CB -0.135 28.485 28.738 -0.196 0.000 0.898 240 Q HN 0.372 nan 8.270 nan 0.000 0.426 241 T N 1.280 115.443 114.554 -0.651 0.000 2.746 241 T HA -0.124 4.230 4.350 0.007 0.000 0.267 241 T C 1.767 175.976 174.700 -0.818 0.000 1.039 241 T CA 0.903 62.535 62.100 -0.781 0.000 1.142 241 T CB -0.149 68.020 68.868 -1.166 0.000 0.866 241 T HN 0.032 nan 8.240 nan 0.000 0.444 242 L N 1.236 121.905 121.223 -0.923 0.000 2.017 242 L HA 0.057 4.401 4.340 0.007 0.000 0.208 242 L C 2.850 179.423 176.870 -0.495 0.000 1.073 242 L CA 1.656 55.904 54.840 -0.987 0.000 0.745 242 L CB -1.224 40.278 42.059 -0.928 0.000 0.894 242 L HN 0.238 nan 8.230 nan 0.000 0.432 243 A N -0.795 121.805 122.820 -0.366 0.000 1.978 243 A HA -0.128 4.196 4.320 0.007 0.000 0.220 243 A C 2.281 179.773 177.584 -0.154 0.000 1.170 243 A CA 1.748 53.657 52.037 -0.213 0.000 0.636 243 A CB -0.799 18.096 19.000 -0.175 0.000 0.810 243 A HN 0.382 nan 8.150 nan 0.000 0.448 244 A N -1.256 121.456 122.820 -0.179 0.000 2.251 244 A HA 0.233 4.557 4.320 0.007 0.000 0.209 244 A C 0.731 178.292 177.584 -0.038 0.000 1.187 244 A CA 0.023 52.004 52.037 -0.093 0.000 0.823 244 A CB -0.113 18.837 19.000 -0.083 0.000 0.846 244 A HN 0.550 nan 8.150 nan 0.000 0.486 245 N N 0.000 118.665 118.700 -0.058 0.000 1.763 245 N HA 0.000 4.744 4.740 0.007 0.000 0.220 245 N CA 0.000 53.108 53.050 0.097 0.000 0.885 245 N CB 0.000 38.571 38.487 0.140 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667