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 3fcp_1_A DATA FIRST_RESID 3 DATA SEQUENCE LTATVEQIES WIVDVPTIXX XXXXXXXXXC QSLVIVRLTR SDGICGIGEA DATA SEQUENCE TTIGGLSYGV ESPEAISSAI THYLTPLLKG QPADNLNALT ARMNGAIKGN DATA SEQUENCE TFAKSAIETA LLDAQGKALG LPVSALLGGA LQTALPVLWT LASGDTAKDI DATA SEQUENCE AEGEKLLAXX XXRAFKLKIG ARELATDLRH TRAIVEALGD RASIRVDVNQ DATA SEQUENCE AWDAATGAKG CRELAAMGVD LIEQPVSAHD NAALVRLSQQ IETAILADEA DATA SEQUENCE VATAYDGYQL AQQGFTGAYA LKIAKAGGPN SVLALARVAQ AAGIGLYGGT DATA SEQUENCE MLEGTVGTVA SLHAWSTLPL QWGTEMFGPL LLKDDIVSVP LTFADGQVAL DATA SEQUENCE PQTPGLGVEL DEDKLHFYTR Q 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.866 176.870 -0.007 0.000 1.165 3 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 3 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 4 T N 0.191 114.741 114.554 -0.006 0.000 2.900 4 T HA 0.874 5.196 4.350 -0.048 0.000 0.295 4 T C -1.332 173.366 174.700 -0.004 0.000 1.044 4 T CA 0.328 62.425 62.100 -0.005 0.000 0.995 4 T CB 2.160 71.025 68.868 -0.004 0.000 1.072 4 T HN 0.318 nan 8.240 nan 0.000 0.473 5 A N 2.126 124.944 122.820 -0.004 0.000 2.566 5 A HA 0.799 5.090 4.320 -0.048 0.000 0.290 5 A C -0.286 177.296 177.584 -0.004 0.000 1.071 5 A CA -0.580 51.455 52.037 -0.004 0.000 0.658 5 A CB 1.001 19.999 19.000 -0.004 0.000 1.285 5 A HN 1.080 nan 8.150 nan 0.000 0.427 6 T N -1.731 112.821 114.554 -0.004 0.000 2.940 6 T HA 0.659 4.980 4.350 -0.048 0.000 0.288 6 T C -0.006 174.692 174.700 -0.005 0.000 1.033 6 T CA -0.090 62.008 62.100 -0.004 0.000 1.033 6 T CB 1.237 70.103 68.868 -0.004 0.000 1.079 6 T HN 2.099 nan 8.240 nan 0.000 0.496 7 V N 1.662 121.572 119.914 -0.006 0.000 2.470 7 V HA 0.321 4.412 4.120 -0.048 0.000 0.276 7 V C 0.805 176.894 176.094 -0.009 0.000 1.040 7 V CA 0.210 62.506 62.300 -0.007 0.000 1.008 7 V CB 0.166 31.984 31.823 -0.008 0.000 0.990 7 V HN 1.016 nan 8.190 nan 0.000 0.477 8 E N 3.545 123.740 120.200 -0.008 0.000 2.201 8 E HA 0.120 4.441 4.350 -0.048 0.000 0.193 8 E C 0.328 176.918 176.600 -0.016 0.000 0.957 8 E CA 0.242 56.636 56.400 -0.010 0.000 0.858 8 E CB 0.609 30.306 29.700 -0.005 0.000 0.816 8 E HN 0.809 nan 8.360 nan 0.000 0.475 9 Q N -0.005 119.784 119.800 -0.017 0.000 2.435 9 Q HA 0.459 4.770 4.340 -0.048 0.000 0.282 9 Q C -1.960 174.016 176.000 -0.039 0.000 1.020 9 Q CA -0.341 55.444 55.803 -0.030 0.000 0.820 9 Q CB 1.895 30.620 28.738 -0.023 0.000 1.436 9 Q HN -0.006 nan 8.270 nan 0.000 0.395 10 I N 2.299 122.829 120.570 -0.067 0.000 2.512 10 I HA 0.426 4.567 4.170 -0.048 0.000 0.287 10 I C -0.738 175.279 176.117 -0.165 0.000 1.069 10 I CA -0.517 60.729 61.300 -0.090 0.000 1.056 10 I CB 2.187 40.143 38.000 -0.074 0.000 1.229 10 I HN 0.578 nan 8.210 nan 0.000 0.429 11 E N 4.077 124.130 120.200 -0.245 0.000 2.263 11 E HA 0.745 5.066 4.350 -0.048 0.000 0.264 11 E C -1.039 175.149 176.600 -0.687 0.000 0.923 11 E CA -0.779 55.315 56.400 -0.511 0.000 0.802 11 E CB 2.493 31.822 29.700 -0.618 0.000 1.228 11 E HN 0.604 nan 8.360 nan 0.000 0.417 12 S N 0.773 115.917 115.700 -0.927 0.000 2.537 12 S HA 0.619 5.060 4.470 -0.048 0.000 0.270 12 S C -1.587 172.623 174.600 -0.649 0.000 1.142 12 S CA -1.016 56.814 58.200 -0.616 0.000 0.870 12 S CB 1.163 64.229 63.200 -0.223 0.000 1.112 12 S HN 0.541 nan 8.310 nan 0.000 0.466 13 W N 1.110 122.432 121.300 0.038 0.000 3.127 13 W HA 0.500 5.169 4.660 0.015 0.000 0.330 13 W C -1.143 175.403 176.519 0.046 0.000 1.187 13 W CA -1.058 56.314 57.345 0.045 0.000 1.198 13 W CB 1.705 31.194 29.460 0.049 0.000 1.408 13 W HN 0.598 nan 8.180 nan 0.000 0.529 14 I N 2.767 123.502 120.570 0.275 0.000 2.315 14 I HA 0.252 4.394 4.170 -0.048 0.000 0.291 14 I C -0.192 176.031 176.117 0.177 0.000 1.006 14 I CA -0.690 60.717 61.300 0.180 0.000 1.265 14 I CB 1.119 39.193 38.000 0.123 0.000 1.387 14 I HN -0.107 nan 8.210 nan 0.000 0.475 15 V N 5.583 125.584 119.914 0.146 0.000 2.417 15 V HA 0.309 4.400 4.120 -0.048 0.000 0.291 15 V C -0.530 175.611 176.094 0.078 0.000 1.024 15 V CA -0.756 61.615 62.300 0.119 0.000 0.861 15 V CB 1.869 33.754 31.823 0.103 0.000 0.985 15 V HN 0.568 nan 8.190 nan 0.000 0.436 16 D N 4.032 124.482 120.400 0.082 0.000 2.427 16 D HA 0.404 5.015 4.640 -0.048 0.000 0.226 16 D C -0.195 176.099 176.300 -0.009 0.000 1.076 16 D CA 0.019 54.045 54.000 0.043 0.000 0.849 16 D CB 2.095 42.927 40.800 0.054 0.000 1.052 16 D HN 0.466 nan 8.370 nan 0.000 0.515 17 V N 0.590 120.431 119.914 -0.122 0.000 2.547 17 V HA 0.652 4.743 4.120 -0.048 0.000 0.299 17 V C -2.523 173.467 176.094 -0.174 0.000 1.040 17 V CA -2.277 59.821 62.300 -0.337 0.000 0.913 17 V CB 1.864 33.464 31.823 -0.371 0.000 0.992 17 V HN 0.216 nan 8.190 nan 0.000 0.449 18 P HA 0.253 nan 4.420 nan 0.000 0.275 18 P C -0.058 177.223 177.300 -0.032 0.000 1.227 18 P CA 0.319 63.397 63.100 -0.037 0.000 0.781 18 P CB 1.079 32.796 31.700 0.029 0.000 0.906 19 T N 0.385 114.940 114.554 0.001 0.000 2.944 19 T HA 0.595 4.917 4.350 -0.048 0.000 0.284 19 T C 1.009 175.727 174.700 0.030 0.000 1.010 19 T CA -0.960 61.149 62.100 0.015 0.000 1.025 19 T CB 0.576 69.458 68.868 0.023 0.000 1.079 19 T HN 0.418 nan 8.240 nan 0.000 0.516 33 Q N 1.320 121.119 119.800 -0.003 0.000 2.322 33 Q HA 0.683 4.995 4.340 -0.048 0.000 0.265 33 Q C -0.884 175.121 176.000 0.008 0.000 0.985 33 Q CA 0.197 56.003 55.803 0.005 0.000 0.849 33 Q CB 1.523 30.259 28.738 -0.003 0.000 1.274 33 Q HN 0.737 nan 8.270 nan 0.000 0.449 34 S N 4.775 120.492 115.700 0.028 0.000 2.422 34 S HA 0.544 4.985 4.470 -0.048 0.000 0.298 34 S C -0.517 174.116 174.600 0.054 0.000 1.118 34 S CA -0.613 57.612 58.200 0.042 0.000 1.083 34 S CB 0.079 63.308 63.200 0.048 0.000 0.971 34 S HN 0.593 nan 8.310 nan 0.000 0.478 35 L N 2.844 124.103 121.223 0.059 0.000 2.325 35 L HA 0.635 4.946 4.340 -0.048 0.000 0.278 35 L C -0.599 176.333 176.870 0.104 0.000 1.023 35 L CA -1.099 53.785 54.840 0.073 0.000 0.811 35 L CB 1.343 43.435 42.059 0.055 0.000 1.249 35 L HN 0.259 nan 8.230 nan 0.000 0.431 36 V N 4.300 124.283 119.914 0.115 0.000 2.328 36 V HA 0.357 4.448 4.120 -0.048 0.000 0.278 36 V C 0.187 176.367 176.094 0.145 0.000 1.021 36 V CA -0.341 62.039 62.300 0.134 0.000 0.838 36 V CB 1.333 33.227 31.823 0.117 0.000 0.999 36 V HN 0.417 nan 8.190 nan 0.000 0.447 37 I N 5.336 126.033 120.570 0.211 0.000 2.437 37 I HA 0.523 4.664 4.170 -0.048 0.000 0.298 37 I C -0.031 176.262 176.117 0.293 0.000 0.984 37 I CA -0.392 61.057 61.300 0.249 0.000 1.214 37 I CB 1.793 39.962 38.000 0.283 0.000 1.365 37 I HN 0.369 nan 8.210 nan 0.000 0.469 38 V N 7.335 127.373 119.914 0.206 0.000 2.823 38 V HA 0.630 4.721 4.120 -0.048 0.000 0.312 38 V C -0.765 175.429 176.094 0.166 0.000 1.072 38 V CA -0.726 61.643 62.300 0.114 0.000 0.937 38 V CB 2.601 34.445 31.823 0.035 0.000 1.013 38 V HN 0.893 nan 8.190 nan 0.000 0.430 39 R N 5.147 125.715 120.500 0.113 0.000 2.476 39 R HA 0.617 4.928 4.340 -0.048 0.000 0.305 39 R C -1.939 174.385 176.300 0.040 0.000 0.965 39 R CA -0.608 55.580 56.100 0.145 0.000 0.867 39 R CB 1.711 32.198 30.300 0.311 0.000 1.176 39 R HN 0.837 nan 8.270 nan 0.000 0.447 40 L N 3.880 125.123 121.223 0.033 0.000 2.296 40 L HA 0.529 4.840 4.340 -0.048 0.000 0.286 40 L C -1.050 175.830 176.870 0.016 0.000 1.023 40 L CA -0.264 54.581 54.840 0.008 0.000 0.812 40 L CB 2.098 44.157 42.059 0.001 0.000 1.223 40 L HN 0.658 nan 8.230 nan 0.000 0.421 41 T N 4.691 119.250 114.554 0.010 0.000 2.771 41 T HA 0.510 4.831 4.350 -0.048 0.000 0.281 41 T C -0.094 174.608 174.700 0.005 0.000 0.982 41 T CA -0.490 61.618 62.100 0.014 0.000 0.978 41 T CB 1.153 70.032 68.868 0.019 0.000 0.930 41 T HN 0.582 nan 8.240 nan 0.000 0.447 42 R N 1.006 121.509 120.500 0.005 0.000 2.607 42 R HA 0.382 4.693 4.340 -0.048 0.000 0.261 42 R C 1.693 177.994 176.300 0.002 0.000 1.051 42 R CA -0.522 55.579 56.100 0.001 0.000 1.110 42 R CB 0.548 30.848 30.300 -0.001 0.000 1.158 42 R HN 0.727 nan 8.270 nan 0.000 0.543 43 S N -0.279 115.420 115.700 -0.000 0.000 2.474 43 S HA -0.130 4.311 4.470 -0.048 0.000 0.235 43 S C 0.920 175.520 174.600 0.001 0.000 0.997 43 S CA 1.218 59.418 58.200 0.000 0.000 0.949 43 S CB -0.234 62.965 63.200 -0.001 0.000 0.766 43 S HN 0.753 nan 8.310 nan 0.000 0.517 44 D N 0.153 120.553 120.400 0.001 0.000 2.339 44 D HA 0.274 4.885 4.640 -0.048 0.000 0.217 44 D C 1.421 177.723 176.300 0.003 0.000 1.050 44 D CA 0.540 54.541 54.000 0.001 0.000 0.856 44 D CB -0.577 40.222 40.800 -0.001 0.000 0.922 44 D HN 0.533 nan 8.370 nan 0.000 0.518 45 G N 0.320 109.123 108.800 0.006 0.000 2.195 45 G HA2 -0.268 3.663 3.960 -0.048 0.000 0.246 45 G HA3 -0.268 3.663 3.960 -0.048 0.000 0.246 45 G C 0.191 175.097 174.900 0.011 0.000 0.984 45 G CA 0.077 45.183 45.100 0.009 0.000 0.633 45 G HN 0.425 nan 8.290 nan 0.000 0.525 46 I N 1.253 121.827 120.570 0.007 0.000 2.529 46 I HA 0.344 4.485 4.170 -0.048 0.000 0.284 46 I C 0.775 176.898 176.117 0.010 0.000 1.082 46 I CA -0.489 60.815 61.300 0.006 0.000 1.406 46 I CB 0.901 38.901 38.000 -0.000 0.000 1.405 46 I HN 0.152 nan 8.210 nan 0.000 0.548 47 C N 4.469 123.779 119.300 0.015 0.000 2.435 47 C HA 0.827 5.258 4.460 -0.048 0.000 0.333 47 C C 0.584 175.584 174.990 0.018 0.000 1.202 47 C CA -0.441 58.592 59.018 0.024 0.000 1.830 47 C CB 1.117 28.882 27.740 0.042 0.000 2.326 47 C HN 0.926 nan 8.230 nan 0.000 0.507 48 G N 1.386 110.199 108.800 0.021 0.000 2.571 48 G HA2 0.782 4.714 3.960 -0.048 0.000 0.304 48 G HA3 0.782 4.714 3.960 -0.048 0.000 0.304 48 G C -1.050 173.868 174.900 0.031 0.000 1.314 48 G CA -0.489 44.619 45.100 0.012 0.000 0.975 48 G HN 0.920 nan 8.290 nan 0.000 0.485 49 I N -0.609 119.979 120.570 0.029 0.000 2.846 49 I HA 1.012 5.153 4.170 -0.048 0.000 0.307 49 I C 0.203 176.340 176.117 0.033 0.000 1.053 49 I CA -1.239 60.092 61.300 0.053 0.000 1.050 49 I CB 2.577 40.616 38.000 0.064 0.000 1.239 49 I HN 0.734 nan 8.210 nan 0.000 0.439 50 G N 2.010 110.840 108.800 0.050 0.000 2.684 50 G HA2 0.572 4.504 3.960 -0.048 0.000 0.290 50 G HA3 0.572 4.504 3.960 -0.048 0.000 0.290 50 G C -2.212 172.716 174.900 0.047 0.000 1.425 50 G CA -0.539 44.578 45.100 0.028 0.000 0.822 50 G HN 0.880 nan 8.290 nan 0.000 0.482 51 E N -0.768 119.448 120.200 0.025 0.000 2.308 51 E HA 0.616 4.937 4.350 -0.048 0.000 0.275 51 E C -1.189 175.428 176.600 0.029 0.000 0.890 51 E CA -1.025 55.399 56.400 0.039 0.000 0.754 51 E CB 2.103 31.819 29.700 0.027 0.000 1.207 51 E HN 0.847 nan 8.360 nan 0.000 0.426 52 A N 3.217 126.079 122.820 0.070 0.000 2.340 52 A HA 0.633 4.924 4.320 -0.048 0.000 0.297 52 A C -0.867 176.814 177.584 0.162 0.000 1.195 52 A CA -0.410 51.692 52.037 0.109 0.000 0.769 52 A CB 1.683 20.779 19.000 0.159 0.000 1.163 52 A HN 0.467 nan 8.150 nan 0.000 0.472 53 T N 1.031 115.688 114.554 0.172 0.000 2.906 53 T HA 0.783 5.105 4.350 -0.048 0.000 0.295 53 T C -0.171 174.707 174.700 0.297 0.000 1.061 53 T CA -0.315 61.892 62.100 0.177 0.000 1.000 53 T CB 1.955 70.873 68.868 0.084 0.000 1.103 53 T HN 0.770 nan 8.240 nan 0.000 0.486 54 T N 0.699 115.386 114.554 0.222 0.000 2.716 54 T HA 0.780 5.102 4.350 -0.048 0.000 0.286 54 T C -1.506 173.258 174.700 0.108 0.000 1.052 54 T CA -0.652 61.586 62.100 0.230 0.000 1.024 54 T CB 0.811 69.737 68.868 0.096 0.000 1.349 54 T HN 0.466 nan 8.240 nan 0.000 0.525 55 I N 1.346 121.972 120.570 0.094 0.000 2.406 55 I HA 0.521 4.662 4.170 -0.048 0.000 0.290 55 I C 1.037 177.290 176.117 0.226 0.000 0.999 55 I CA -0.546 60.782 61.300 0.046 0.000 1.124 55 I CB 1.677 39.549 38.000 -0.212 0.000 1.289 55 I HN 0.972 nan 8.210 nan 0.000 0.441 56 G N 4.475 113.386 108.800 0.185 0.000 2.338 56 G HA2 -0.059 3.872 3.960 -0.048 0.000 0.296 56 G HA3 -0.059 3.872 3.960 -0.048 0.000 0.296 56 G C 0.893 175.863 174.900 0.117 0.000 1.040 56 G CA 0.634 45.859 45.100 0.208 0.000 1.004 56 G HN 1.475 nan 8.290 nan 0.000 0.509 57 G N -0.573 108.268 108.800 0.068 0.000 2.815 57 G HA2 -0.332 3.599 3.960 -0.048 0.000 0.326 57 G HA3 -0.332 3.599 3.960 -0.048 0.000 0.326 57 G C 0.959 175.853 174.900 -0.010 0.000 1.191 57 G CA 0.911 46.023 45.100 0.020 0.000 0.965 57 G HN 1.405 nan 8.290 nan 0.000 0.564 58 L N 1.190 122.394 121.223 -0.031 0.000 2.959 58 L HA 0.316 4.627 4.340 -0.048 0.000 0.259 58 L C 2.199 179.013 176.870 -0.094 0.000 1.185 58 L CA 0.642 55.444 54.840 -0.063 0.000 0.998 58 L CB 0.948 42.969 42.059 -0.064 0.000 1.337 58 L HN 0.381 nan 8.230 nan 0.000 0.555 59 S N -0.660 114.967 115.700 -0.122 0.000 2.461 59 S HA -0.009 4.432 4.470 -0.048 0.000 0.228 59 S C 1.263 175.542 174.600 -0.535 0.000 1.005 59 S CA 1.018 59.023 58.200 -0.324 0.000 0.942 59 S CB 0.030 62.982 63.200 -0.413 0.000 0.776 59 S HN 0.435 nan 8.310 nan 0.000 0.514 60 Y N 0.332 120.606 120.300 -0.043 0.000 2.467 60 Y HA 0.455 4.976 4.550 -0.049 0.000 0.259 60 Y C 1.254 177.126 175.900 -0.045 0.000 1.084 60 Y CA -0.168 57.910 58.100 -0.037 0.000 1.275 60 Y CB 0.494 38.946 38.460 -0.013 0.000 1.208 60 Y HN 0.225 nan 8.280 nan 0.000 0.511 61 G N -0.702 108.117 108.800 0.031 0.000 2.695 61 G HA2 0.416 4.347 3.960 -0.048 0.000 0.290 61 G HA3 0.416 4.347 3.960 -0.048 0.000 0.290 61 G C -0.003 174.820 174.900 -0.129 0.000 1.410 61 G CA -0.104 44.961 45.100 -0.058 0.000 0.844 61 G HN -0.010 nan 8.290 nan 0.000 0.478 62 V N -2.696 117.131 119.914 -0.145 0.000 3.461 62 V HA 0.328 4.420 4.120 -0.048 0.000 0.267 62 V C 0.373 176.359 176.094 -0.180 0.000 1.186 62 V CA 0.687 62.911 62.300 -0.128 0.000 1.154 62 V CB -0.698 31.078 31.823 -0.078 0.000 0.802 62 V HN 0.510 nan 8.190 nan 0.000 0.474 63 E N 2.243 122.245 120.200 -0.330 0.000 2.092 63 E HA 0.483 4.805 4.350 -0.048 0.000 0.271 63 E C -0.065 176.338 176.600 -0.328 0.000 0.919 63 E CA -0.058 56.127 56.400 -0.359 0.000 0.760 63 E CB 1.583 30.957 29.700 -0.543 0.000 1.106 63 E HN 0.668 nan 8.360 nan 0.000 0.408 64 S N 2.224 117.825 115.700 -0.164 0.000 2.693 64 S HA 0.315 4.757 4.470 -0.048 0.000 0.276 64 S C -1.948 172.622 174.600 -0.049 0.000 1.192 64 S CA -1.328 56.815 58.200 -0.095 0.000 0.994 64 S CB 1.535 64.703 63.200 -0.053 0.000 1.012 64 S HN 0.129 nan 8.310 nan 0.000 0.550 65 P HA -0.121 nan 4.420 nan 0.000 0.216 65 P C 1.394 178.717 177.300 0.038 0.000 1.150 65 P CA 1.159 64.279 63.100 0.034 0.000 0.837 65 P CB 0.003 31.731 31.700 0.047 0.000 0.786 66 E N -0.174 120.041 120.200 0.026 0.000 2.152 66 E HA -0.075 4.246 4.350 -0.048 0.000 0.192 66 E C 1.944 178.563 176.600 0.032 0.000 0.983 66 E CA 1.372 57.791 56.400 0.033 0.000 0.818 66 E CB -1.302 28.413 29.700 0.025 0.000 0.758 66 E HN 0.164 nan 8.360 nan 0.000 0.467 67 A N 1.602 124.428 122.820 0.012 0.000 1.968 67 A HA 0.014 4.305 4.320 -0.048 0.000 0.217 67 A C 2.363 179.969 177.584 0.036 0.000 1.169 67 A CA 0.703 52.747 52.037 0.012 0.000 0.638 67 A CB -0.584 18.403 19.000 -0.022 0.000 0.812 67 A HN 0.168 nan 8.150 nan 0.000 0.446 68 I N -0.743 119.847 120.570 0.033 0.000 2.179 68 I HA -0.216 3.925 4.170 -0.048 0.000 0.242 68 I C 2.851 179.018 176.117 0.083 0.000 1.088 68 I CA 1.523 62.863 61.300 0.067 0.000 1.357 68 I CB -0.226 37.826 38.000 0.087 0.000 1.051 68 I HN 0.414 nan 8.210 nan 0.000 0.409 69 S N -0.124 115.621 115.700 0.074 0.000 2.368 69 S HA -0.240 4.201 4.470 -0.048 0.000 0.225 69 S C 2.289 176.947 174.600 0.097 0.000 1.030 69 S CA 2.069 60.311 58.200 0.070 0.000 0.999 69 S CB -0.349 62.889 63.200 0.063 0.000 0.844 69 S HN 0.477 nan 8.310 nan 0.000 0.459 70 S N 0.823 116.597 115.700 0.122 0.000 2.356 70 S HA -0.048 4.393 4.470 -0.048 0.000 0.223 70 S C 2.115 176.874 174.600 0.265 0.000 1.032 70 S CA 1.556 59.878 58.200 0.203 0.000 1.005 70 S CB -0.889 62.374 63.200 0.105 0.000 0.867 70 S HN 0.715 nan 8.310 nan 0.000 0.449 71 A N 1.331 124.276 122.820 0.208 0.000 1.908 71 A HA -0.015 4.276 4.320 -0.048 0.000 0.218 71 A C 2.163 179.878 177.584 0.218 0.000 1.181 71 A CA 1.646 53.836 52.037 0.255 0.000 0.627 71 A CB -0.809 18.275 19.000 0.140 0.000 0.818 71 A HN 0.645 nan 8.150 nan 0.000 0.445 72 I N -0.765 119.882 120.570 0.127 0.000 2.163 72 I HA -0.211 3.930 4.170 -0.048 0.000 0.240 72 I C 2.654 178.782 176.117 0.017 0.000 1.081 72 I CA 1.776 63.114 61.300 0.064 0.000 1.353 72 I CB -0.689 37.326 38.000 0.024 0.000 1.054 72 I HN 0.263 nan 8.210 nan 0.000 0.407 73 T N -0.746 113.808 114.554 -0.000 0.000 2.668 73 T HA -0.200 4.121 4.350 -0.048 0.000 0.262 73 T C 1.808 176.369 174.700 -0.232 0.000 1.045 73 T CA 1.707 63.728 62.100 -0.131 0.000 1.152 73 T CB -0.406 68.356 68.868 -0.177 0.000 0.864 73 T HN 0.383 nan 8.240 nan 0.000 0.419 74 H N -0.999 117.979 119.070 -0.154 0.000 2.482 74 H HA 0.180 4.707 4.556 -0.047 0.000 0.286 74 H C 1.254 176.203 175.328 -0.633 0.000 1.017 74 H CA 0.909 56.715 56.048 -0.403 0.000 1.322 74 H CB 0.085 29.517 29.762 -0.549 0.000 1.426 74 H HN 0.418 nan 8.280 nan 0.000 0.546 75 Y N -1.338 119.019 120.300 0.094 0.000 2.697 75 Y HA 0.169 4.687 4.550 -0.054 0.000 0.268 75 Y C 1.988 177.901 175.900 0.023 0.000 1.092 75 Y CA -0.113 58.018 58.100 0.052 0.000 1.304 75 Y CB -0.165 38.325 38.460 0.050 0.000 1.446 75 Y HN -0.075 nan 8.280 nan 0.000 0.491 76 L N -0.336 120.990 121.223 0.172 0.000 2.083 76 L HA -0.184 4.128 4.340 -0.048 0.000 0.209 76 L C 2.137 179.027 176.870 0.033 0.000 1.083 76 L CA 1.752 56.646 54.840 0.090 0.000 0.752 76 L CB -0.692 41.412 42.059 0.074 0.000 0.899 76 L HN 0.275 nan 8.230 nan 0.000 0.433 77 T N 0.289 114.842 114.554 -0.001 0.000 2.674 77 T HA -0.087 4.234 4.350 -0.048 0.000 0.265 77 T C -0.539 174.140 174.700 -0.035 0.000 1.039 77 T CA 1.635 63.712 62.100 -0.038 0.000 1.150 77 T CB -1.108 67.712 68.868 -0.081 0.000 0.864 77 T HN 0.301 nan 8.240 nan 0.000 0.427 78 P HA 0.023 nan 4.420 nan 0.000 0.223 78 P C 1.665 178.961 177.300 -0.006 0.000 1.151 78 P CA 0.601 63.679 63.100 -0.036 0.000 0.787 78 P CB -0.133 31.533 31.700 -0.056 0.000 0.788 79 L N -0.507 120.725 121.223 0.016 0.000 2.131 79 L HA 0.001 4.312 4.340 -0.048 0.000 0.206 79 L C 2.042 178.923 176.870 0.017 0.000 1.087 79 L CA 1.537 56.395 54.840 0.030 0.000 0.767 79 L CB -1.071 41.022 42.059 0.057 0.000 0.917 79 L HN -0.046 nan 8.230 nan 0.000 0.441 80 L N -0.458 120.771 121.223 0.010 0.000 2.416 80 L HA 0.053 4.365 4.340 -0.048 0.000 0.216 80 L C 0.872 177.740 176.870 -0.004 0.000 1.098 80 L CA -0.048 54.795 54.840 0.004 0.000 0.840 80 L CB -0.066 41.995 42.059 0.004 0.000 0.981 80 L HN 0.046 nan 8.230 nan 0.000 0.462 81 K N 0.924 121.318 120.400 -0.011 0.000 2.447 81 K HA 0.226 4.517 4.320 -0.048 0.000 0.281 81 K C 0.984 177.578 176.600 -0.010 0.000 1.031 81 K CA 0.806 57.085 56.287 -0.015 0.000 1.019 81 K CB 0.436 32.921 32.500 -0.024 0.000 0.918 81 K HN 0.254 nan 8.250 nan 0.000 0.476 82 G N 1.812 110.607 108.800 -0.008 0.000 2.213 82 G HA2 -0.208 3.723 3.960 -0.048 0.000 0.226 82 G HA3 -0.208 3.723 3.960 -0.048 0.000 0.226 82 G C -0.086 174.812 174.900 -0.003 0.000 0.992 82 G CA -0.464 44.633 45.100 -0.006 0.000 0.632 82 G HN 0.498 nan 8.290 nan 0.000 0.511 83 Q N 0.900 120.699 119.800 -0.002 0.000 2.260 83 Q HA 0.417 4.728 4.340 -0.048 0.000 0.242 83 Q C -2.536 173.463 176.000 -0.002 0.000 0.932 83 Q CA -1.822 53.981 55.803 -0.001 0.000 0.891 83 Q CB 0.906 29.645 28.738 0.002 0.000 1.222 83 Q HN 0.180 nan 8.270 nan 0.000 0.453 84 P HA -0.001 nan 4.420 nan 0.000 0.266 84 P C -0.358 176.940 177.300 -0.003 0.000 1.215 84 P CA 0.376 63.475 63.100 -0.002 0.000 0.763 84 P CB 0.550 32.248 31.700 -0.002 0.000 0.806 85 A N 3.940 126.757 122.820 -0.005 0.000 2.208 85 A HA -0.073 4.218 4.320 -0.048 0.000 0.209 85 A C 1.456 179.035 177.584 -0.009 0.000 1.161 85 A CA 0.802 52.835 52.037 -0.006 0.000 0.782 85 A CB -0.519 18.477 19.000 -0.007 0.000 0.816 85 A HN 0.563 nan 8.150 nan 0.000 0.477 86 D N -1.128 119.267 120.400 -0.008 0.000 2.354 86 D HA -0.055 4.556 4.640 -0.048 0.000 0.209 86 D C 0.157 176.451 176.300 -0.010 0.000 1.015 86 D CA 0.019 54.013 54.000 -0.010 0.000 0.867 86 D CB -0.334 40.461 40.800 -0.009 0.000 0.933 86 D HN 0.207 nan 8.370 nan 0.000 0.520 87 N N 1.348 120.043 118.700 -0.007 0.000 2.918 87 N HA 0.037 4.749 4.740 -0.048 0.000 0.247 87 N C 0.915 176.422 175.510 -0.005 0.000 1.117 87 N CA -0.329 52.718 53.050 -0.005 0.000 1.005 87 N CB 0.835 39.320 38.487 -0.003 0.000 1.297 87 N HN 0.022 nan 8.380 nan 0.000 0.513 88 L N 3.616 124.834 121.223 -0.008 0.000 2.079 88 L HA -0.087 4.224 4.340 -0.048 0.000 0.210 88 L C 1.553 178.421 176.870 -0.003 0.000 1.081 88 L CA 1.647 56.483 54.840 -0.008 0.000 0.752 88 L CB -0.463 41.588 42.059 -0.013 0.000 0.896 88 L HN 0.427 nan 8.230 nan 0.000 0.433 89 N N 0.007 118.706 118.700 -0.002 0.000 2.084 89 N HA -0.131 4.580 4.740 -0.048 0.000 0.190 89 N C 1.830 177.343 175.510 0.004 0.000 1.030 89 N CA 1.633 54.684 53.050 0.001 0.000 0.849 89 N CB -0.457 38.031 38.487 0.000 0.000 1.012 89 N HN 0.497 nan 8.380 nan 0.000 0.423 90 A N 1.271 124.093 122.820 0.004 0.000 1.902 90 A HA -0.038 4.253 4.320 -0.048 0.000 0.217 90 A C 2.423 180.012 177.584 0.008 0.000 1.181 90 A CA 0.913 52.953 52.037 0.006 0.000 0.623 90 A CB -0.744 18.258 19.000 0.004 0.000 0.818 90 A HN 0.204 nan 8.150 nan 0.000 0.443 91 L N -0.786 120.440 121.223 0.006 0.000 2.093 91 L HA -0.150 4.161 4.340 -0.048 0.000 0.208 91 L C 2.771 179.649 176.870 0.012 0.000 1.085 91 L CA 1.704 56.549 54.840 0.008 0.000 0.755 91 L CB -0.798 41.263 42.059 0.004 0.000 0.904 91 L HN 0.340 nan 8.230 nan 0.000 0.435 92 T N -0.186 114.374 114.554 0.011 0.000 2.777 92 T HA -0.145 4.177 4.350 -0.048 0.000 0.266 92 T C 2.012 176.726 174.700 0.022 0.000 1.040 92 T CA 1.280 63.389 62.100 0.016 0.000 1.141 92 T CB -0.213 68.662 68.868 0.012 0.000 0.868 92 T HN 0.437 nan 8.240 nan 0.000 0.444 93 A N 1.539 124.371 122.820 0.020 0.000 1.933 93 A HA -0.089 4.202 4.320 -0.048 0.000 0.218 93 A C 2.288 179.886 177.584 0.023 0.000 1.175 93 A CA 1.697 53.748 52.037 0.024 0.000 0.628 93 A CB -0.536 18.476 19.000 0.019 0.000 0.814 93 A HN 0.419 nan 8.150 nan 0.000 0.444 94 R N -0.860 119.652 120.500 0.020 0.000 2.075 94 R HA -0.052 4.259 4.340 -0.048 0.000 0.232 94 R C 2.148 178.464 176.300 0.026 0.000 1.126 94 R CA 1.694 57.807 56.100 0.021 0.000 0.963 94 R CB -0.306 30.005 30.300 0.019 0.000 0.858 94 R HN 0.550 nan 8.270 nan 0.000 0.435 95 M N 0.562 120.178 119.600 0.027 0.000 2.086 95 M HA -0.152 4.299 4.480 -0.048 0.000 0.261 95 M C 1.712 178.030 176.300 0.031 0.000 1.067 95 M CA 1.543 56.862 55.300 0.032 0.000 1.116 95 M CB -0.314 32.305 32.600 0.031 0.000 1.348 95 M HN 0.141 nan 8.290 nan 0.000 0.407 96 N N 0.325 119.045 118.700 0.034 0.000 2.270 96 N HA -0.043 4.668 4.740 -0.048 0.000 0.181 96 N C 1.795 177.322 175.510 0.028 0.000 1.016 96 N CA 1.437 54.509 53.050 0.038 0.000 0.870 96 N CB -0.584 37.936 38.487 0.056 0.000 0.979 96 N HN 0.439 nan 8.380 nan 0.000 0.431 97 G N 0.086 108.901 108.800 0.025 0.000 2.422 97 G HA2 -0.044 3.887 3.960 -0.048 0.000 0.218 97 G HA3 -0.044 3.887 3.960 -0.048 0.000 0.218 97 G C 1.366 176.273 174.900 0.013 0.000 1.140 97 G CA 0.915 46.026 45.100 0.018 0.000 0.775 97 G HN 0.428 nan 8.290 nan 0.000 0.545 98 A N -0.606 122.224 122.820 0.017 0.000 2.197 98 A HA 0.524 4.815 4.320 -0.048 0.000 0.210 98 A C 0.400 177.983 177.584 -0.001 0.000 1.180 98 A CA 0.178 52.225 52.037 0.017 0.000 0.846 98 A CB 0.456 19.478 19.000 0.036 0.000 0.884 98 A HN 0.179 nan 8.150 nan 0.000 0.487 99 I N 1.334 121.901 120.570 -0.004 0.000 2.439 99 I HA 0.328 4.469 4.170 -0.048 0.000 0.285 99 I C -0.984 175.119 176.117 -0.024 0.000 1.021 99 I CA -0.818 60.464 61.300 -0.030 0.000 1.091 99 I CB 1.422 39.419 38.000 -0.005 0.000 1.242 99 I HN -0.023 nan 8.210 nan 0.000 0.439 100 K N 3.687 124.059 120.400 -0.048 0.000 2.218 100 K HA 0.529 4.820 4.320 -0.048 0.000 0.276 100 K C 0.929 177.516 176.600 -0.021 0.000 1.022 100 K CA 0.189 56.456 56.287 -0.032 0.000 0.946 100 K CB 1.191 33.663 32.500 -0.048 0.000 1.000 100 K HN 0.869 nan 8.250 nan 0.000 0.468 101 G N 3.111 111.915 108.800 0.006 0.000 2.614 101 G HA2 -0.409 3.523 3.960 -0.048 0.000 0.303 101 G HA3 -0.409 3.523 3.960 -0.048 0.000 0.303 101 G C -0.080 174.846 174.900 0.043 0.000 1.270 101 G CA 0.422 45.538 45.100 0.028 0.000 0.988 101 G HN 0.847 nan 8.290 nan 0.000 0.551 102 N N -0.077 118.654 118.700 0.051 0.000 2.727 102 N HA -0.245 4.466 4.740 -0.048 0.000 0.249 102 N C 1.539 177.128 175.510 0.132 0.000 1.048 102 N CA 1.893 54.989 53.050 0.077 0.000 0.714 102 N CB -1.320 37.189 38.487 0.036 0.000 0.959 102 N HN 1.474 nan 8.380 nan 0.000 0.544 103 T N -3.703 110.958 114.554 0.179 0.000 2.915 103 T HA -0.085 4.237 4.350 -0.048 0.000 0.269 103 T C 1.570 176.372 174.700 0.169 0.000 1.071 103 T CA 0.831 63.026 62.100 0.157 0.000 1.132 103 T CB -0.343 68.608 68.868 0.139 0.000 0.878 103 T HN 0.340 nan 8.240 nan 0.000 0.479 104 F N 2.039 122.001 119.950 0.019 0.000 2.113 104 F HA 0.121 4.613 4.527 -0.058 0.000 0.297 104 F C 3.061 178.873 175.800 0.020 0.000 1.103 104 F CA 0.840 58.852 58.000 0.019 0.000 1.248 104 F CB -0.558 38.455 39.000 0.021 0.000 0.999 104 F HN 0.238 nan 8.300 nan 0.000 0.475 105 A N 0.198 123.153 122.820 0.224 0.000 1.877 105 A HA -0.215 4.076 4.320 -0.048 0.000 0.216 105 A C 2.100 179.735 177.584 0.084 0.000 1.186 105 A CA 1.753 53.869 52.037 0.131 0.000 0.620 105 A CB -0.630 18.438 19.000 0.113 0.000 0.822 105 A HN 0.319 nan 8.150 nan 0.000 0.443 106 K N -0.358 120.088 120.400 0.077 0.000 2.097 106 K HA -0.116 4.175 4.320 -0.048 0.000 0.206 106 K C 2.415 179.026 176.600 0.018 0.000 1.049 106 K CA 1.364 57.678 56.287 0.045 0.000 0.933 106 K CB -0.220 32.307 32.500 0.045 0.000 0.717 106 K HN 0.464 nan 8.250 nan 0.000 0.442 107 S N 0.680 116.382 115.700 0.002 0.000 2.382 107 S HA -0.140 4.301 4.470 -0.048 0.000 0.228 107 S C 2.072 176.653 174.600 -0.032 0.000 1.027 107 S CA 1.184 59.359 58.200 -0.043 0.000 0.991 107 S CB -0.170 62.963 63.200 -0.111 0.000 0.823 107 S HN 0.364 nan 8.310 nan 0.000 0.469 108 A N 1.861 124.680 122.820 -0.001 0.000 1.902 108 A HA 0.023 4.314 4.320 -0.048 0.000 0.217 108 A C 2.110 179.698 177.584 0.007 0.000 1.181 108 A CA 1.452 53.495 52.037 0.010 0.000 0.623 108 A CB -0.648 18.378 19.000 0.042 0.000 0.818 108 A HN 0.568 nan 8.150 nan 0.000 0.443 109 I N -0.112 120.464 120.570 0.011 0.000 2.202 109 I HA -0.194 3.948 4.170 -0.048 0.000 0.242 109 I C 2.419 178.533 176.117 -0.006 0.000 1.091 109 I CA 1.773 63.077 61.300 0.006 0.000 1.368 109 I CB -1.422 36.586 38.000 0.013 0.000 1.058 109 I HN 0.565 nan 8.210 nan 0.000 0.410 110 E N 0.592 120.785 120.200 -0.011 0.000 2.110 110 E HA -0.196 4.125 4.350 -0.048 0.000 0.193 110 E C 2.041 178.619 176.600 -0.036 0.000 0.988 110 E CA 1.828 58.215 56.400 -0.023 0.000 0.804 110 E CB 0.165 29.849 29.700 -0.026 0.000 0.745 110 E HN 0.392 nan 8.360 nan 0.000 0.458 111 T N 0.476 115.005 114.554 -0.041 0.000 2.708 111 T HA -0.141 4.180 4.350 -0.048 0.000 0.266 111 T C 1.854 176.529 174.700 -0.041 0.000 1.037 111 T CA 1.355 63.423 62.100 -0.053 0.000 1.146 111 T CB -0.303 68.534 68.868 -0.051 0.000 0.865 111 T HN 0.332 nan 8.240 nan 0.000 0.435 112 A N 1.107 123.915 122.820 -0.020 0.000 1.902 112 A HA 0.023 4.314 4.320 -0.048 0.000 0.217 112 A C 2.317 179.890 177.584 -0.019 0.000 1.181 112 A CA 1.168 53.199 52.037 -0.010 0.000 0.623 112 A CB -0.860 18.144 19.000 0.006 0.000 0.818 112 A HN 0.467 nan 8.150 nan 0.000 0.443 113 L N -0.779 120.431 121.223 -0.021 0.000 2.046 113 L HA -0.189 4.122 4.340 -0.048 0.000 0.208 113 L C 2.570 179.419 176.870 -0.035 0.000 1.077 113 L CA 1.157 55.983 54.840 -0.023 0.000 0.747 113 L CB -0.484 41.563 42.059 -0.019 0.000 0.896 113 L HN 0.377 nan 8.230 nan 0.000 0.432 114 L N -0.601 120.593 121.223 -0.049 0.000 2.093 114 L HA -0.218 4.093 4.340 -0.048 0.000 0.208 114 L C 2.271 179.090 176.870 -0.085 0.000 1.085 114 L CA 1.099 55.897 54.840 -0.070 0.000 0.755 114 L CB -0.497 41.508 42.059 -0.089 0.000 0.904 114 L HN 0.293 nan 8.230 nan 0.000 0.435 115 D N 0.227 120.581 120.400 -0.077 0.000 2.104 115 D HA -0.198 4.413 4.640 -0.048 0.000 0.194 115 D C 2.143 178.410 176.300 -0.054 0.000 0.994 115 D CA 1.584 55.538 54.000 -0.075 0.000 0.830 115 D CB 0.142 40.913 40.800 -0.047 0.000 0.959 115 D HN 0.235 nan 8.370 nan 0.000 0.452 116 A N -0.208 122.590 122.820 -0.036 0.000 1.898 116 A HA -0.176 4.115 4.320 -0.048 0.000 0.216 116 A C 2.206 179.773 177.584 -0.029 0.000 1.181 116 A CA 1.869 53.892 52.037 -0.024 0.000 0.620 116 A CB -0.814 18.178 19.000 -0.014 0.000 0.819 116 A HN 0.296 nan 8.150 nan 0.000 0.442 117 Q N -0.051 119.728 119.800 -0.035 0.000 2.230 117 Q HA 0.032 4.343 4.340 -0.048 0.000 0.202 117 Q C 1.834 177.809 176.000 -0.041 0.000 0.963 117 Q CA 1.633 57.416 55.803 -0.033 0.000 0.866 117 Q CB -0.815 27.903 28.738 -0.033 0.000 0.931 117 Q HN 0.513 nan 8.270 nan 0.000 0.452 118 G N 0.352 109.117 108.800 -0.058 0.000 2.404 118 G HA2 -0.236 3.695 3.960 -0.048 0.000 0.215 118 G HA3 -0.236 3.695 3.960 -0.048 0.000 0.215 118 G C 1.257 176.127 174.900 -0.049 0.000 1.174 118 G CA 0.668 45.727 45.100 -0.069 0.000 0.780 118 G HN 0.351 nan 8.290 nan 0.000 0.537 119 K N 0.664 121.038 120.400 -0.042 0.000 2.147 119 K HA 0.054 4.345 4.320 -0.048 0.000 0.205 119 K C 2.795 179.382 176.600 -0.021 0.000 1.049 119 K CA 0.913 57.184 56.287 -0.028 0.000 0.936 119 K CB -0.157 32.331 32.500 -0.021 0.000 0.722 119 K HN 0.276 nan 8.250 nan 0.000 0.446 120 A N 0.845 123.652 122.820 -0.021 0.000 2.067 120 A HA -0.040 4.251 4.320 -0.048 0.000 0.219 120 A C 1.780 179.355 177.584 -0.016 0.000 1.158 120 A CA 1.038 53.066 52.037 -0.016 0.000 0.661 120 A CB -0.196 18.794 19.000 -0.015 0.000 0.801 120 A HN 0.177 nan 8.150 nan 0.000 0.452 121 L N -1.587 119.624 121.223 -0.020 0.000 2.693 121 L HA 0.277 4.588 4.340 -0.048 0.000 0.235 121 L C 1.390 178.249 176.870 -0.017 0.000 1.127 121 L CA 0.345 55.174 54.840 -0.018 0.000 0.914 121 L CB 0.051 42.098 42.059 -0.021 0.000 1.193 121 L HN 0.483 nan 8.230 nan 0.000 0.502 122 G N 1.560 110.349 108.800 -0.019 0.000 2.273 122 G HA2 -0.273 3.658 3.960 -0.048 0.000 0.280 122 G HA3 -0.273 3.658 3.960 -0.048 0.000 0.280 122 G C -0.209 174.681 174.900 -0.018 0.000 1.047 122 G CA 0.273 45.363 45.100 -0.016 0.000 0.869 122 G HN 0.265 nan 8.290 nan 0.000 0.502 123 L N 0.201 121.408 121.223 -0.027 0.000 2.388 123 L HA 0.580 4.892 4.340 -0.048 0.000 0.264 123 L C -2.038 174.801 176.870 -0.052 0.000 0.998 123 L CA -2.625 52.197 54.840 -0.030 0.000 0.817 123 L CB 2.901 44.943 42.059 -0.028 0.000 1.338 123 L HN -0.091 nan 8.230 nan 0.000 0.414 124 P HA 0.075 nan 4.420 nan 0.000 0.274 124 P C 0.824 178.008 177.300 -0.195 0.000 1.237 124 P CA -0.347 62.700 63.100 -0.090 0.000 0.793 124 P CB 1.463 33.197 31.700 0.056 0.000 0.977 125 V N 1.739 121.357 119.914 -0.494 0.000 2.380 125 V HA -0.278 3.813 4.120 -0.048 0.000 0.251 125 V C 2.754 178.736 176.094 -0.188 0.000 1.063 125 V CA 2.932 64.978 62.300 -0.423 0.000 1.055 125 V CB -1.768 29.670 31.823 -0.641 0.000 0.657 125 V HN 0.738 nan 8.190 nan 0.000 0.455 126 S N 1.227 116.921 115.700 -0.010 0.000 2.383 126 S HA -0.228 4.213 4.470 -0.048 0.000 0.229 126 S C 2.081 176.706 174.600 0.042 0.000 1.030 126 S CA 1.507 59.785 58.200 0.129 0.000 1.002 126 S CB -0.639 62.707 63.200 0.244 0.000 0.829 126 S HN 0.628 nan 8.310 nan 0.000 0.467 127 A N 1.988 124.817 122.820 0.015 0.000 1.930 127 A HA 0.231 4.522 4.320 -0.048 0.000 0.217 127 A C 2.310 179.887 177.584 -0.012 0.000 1.175 127 A CA 1.206 53.245 52.037 0.003 0.000 0.627 127 A CB -0.767 18.231 19.000 -0.004 0.000 0.815 127 A HN 0.549 nan 8.150 nan 0.000 0.443 128 L N -0.658 120.544 121.223 -0.034 0.000 2.275 128 L HA -0.053 4.258 4.340 -0.048 0.000 0.215 128 L C 1.475 178.331 176.870 -0.023 0.000 1.119 128 L CA 0.632 55.450 54.840 -0.036 0.000 0.790 128 L CB -0.422 41.602 42.059 -0.059 0.000 0.919 128 L HN 0.344 nan 8.230 nan 0.000 0.443 129 L N -0.369 120.844 121.223 -0.015 0.000 2.653 129 L HA 0.223 4.534 4.340 -0.048 0.000 0.232 129 L C 1.329 178.207 176.870 0.013 0.000 1.169 129 L CA 0.463 55.303 54.840 -0.000 0.000 0.951 129 L CB -0.173 41.891 42.059 0.007 0.000 1.181 129 L HN 0.439 nan 8.230 nan 0.000 0.460 130 G N -0.564 108.241 108.800 0.009 0.000 2.218 130 G HA2 -0.074 3.857 3.960 -0.048 0.000 0.216 130 G HA3 -0.074 3.857 3.960 -0.048 0.000 0.216 130 G C 0.516 175.426 174.900 0.017 0.000 0.994 130 G CA -0.276 44.832 45.100 0.013 0.000 0.637 130 G HN 0.841 nan 8.290 nan 0.000 0.505 131 G N -0.980 107.833 108.800 0.022 0.000 2.742 131 G HA2 0.537 4.468 3.960 -0.048 0.000 0.686 131 G HA3 0.537 4.468 3.960 -0.048 0.000 0.686 131 G C -0.093 174.827 174.900 0.033 0.000 1.220 131 G CA 0.795 45.909 45.100 0.025 0.000 0.783 131 G HN 2.118 nan 8.290 nan 0.000 0.646 132 A N 1.047 123.887 122.820 0.034 0.000 2.366 132 A HA 0.704 4.996 4.320 -0.048 0.000 0.272 132 A C 1.230 178.829 177.584 0.024 0.000 1.135 132 A CA -0.183 51.874 52.037 0.034 0.000 0.804 132 A CB 0.782 19.799 19.000 0.028 0.000 1.064 132 A HN 1.301 nan 8.150 nan 0.000 0.499 133 L N 0.538 121.777 121.223 0.027 0.000 2.341 133 L HA 0.175 4.486 4.340 -0.048 0.000 0.214 133 L C 1.131 178.008 176.870 0.011 0.000 1.115 133 L CA 1.557 56.408 54.840 0.018 0.000 0.820 133 L CB -0.628 41.445 42.059 0.022 0.000 0.944 133 L HN 0.828 nan 8.230 nan 0.000 0.452 134 Q N -2.203 117.604 119.800 0.012 0.000 2.309 134 Q HA 0.187 4.498 4.340 -0.048 0.000 0.273 134 Q C -0.234 175.761 176.000 -0.008 0.000 1.040 134 Q CA -0.061 55.744 55.803 0.002 0.000 0.834 134 Q CB 2.040 30.782 28.738 0.006 0.000 1.345 134 Q HN -0.123 nan 8.270 nan 0.000 0.414 135 T N 0.573 115.115 114.554 -0.019 0.000 3.092 135 T HA 0.528 4.850 4.350 -0.048 0.000 0.258 135 T C -0.777 173.890 174.700 -0.054 0.000 1.031 135 T CA 0.561 62.638 62.100 -0.038 0.000 0.925 135 T CB 0.182 69.032 68.868 -0.030 0.000 1.036 135 T HN 0.488 nan 8.240 nan 0.000 0.544 136 A N 1.516 124.311 122.820 -0.041 0.000 2.385 136 A HA 0.723 5.014 4.320 -0.048 0.000 0.290 136 A C -1.426 176.142 177.584 -0.027 0.000 1.094 136 A CA -0.566 51.443 52.037 -0.046 0.000 0.729 136 A CB 0.784 19.763 19.000 -0.035 0.000 1.194 136 A HN 0.322 nan 8.150 nan 0.000 0.442 137 L N 3.975 125.181 121.223 -0.028 0.000 2.334 137 L HA 0.625 4.936 4.340 -0.048 0.000 0.276 137 L C -2.115 174.773 176.870 0.029 0.000 1.014 137 L CA -1.726 53.120 54.840 0.009 0.000 0.815 137 L CB 1.763 43.844 42.059 0.036 0.000 1.268 137 L HN 0.464 nan 8.230 nan 0.000 0.428 138 P HA 0.192 nan 4.420 nan 0.000 0.275 138 P C -1.176 176.188 177.300 0.106 0.000 1.227 138 P CA -0.193 62.944 63.100 0.062 0.000 0.781 138 P CB 1.443 33.169 31.700 0.043 0.000 0.906 139 V N 3.922 123.927 119.914 0.151 0.000 2.524 139 V HA 0.175 4.266 4.120 -0.048 0.000 0.297 139 V C 0.520 176.754 176.094 0.232 0.000 1.035 139 V CA -0.767 61.676 62.300 0.239 0.000 0.867 139 V CB 1.355 33.404 31.823 0.376 0.000 1.004 139 V HN 0.436 nan 8.190 nan 0.000 0.426 140 L N 1.612 122.982 121.223 0.244 0.000 2.490 140 L HA 0.676 4.987 4.340 -0.048 0.000 0.245 140 L C -0.272 176.759 176.870 0.269 0.000 1.185 140 L CA -0.388 54.554 54.840 0.170 0.000 0.813 140 L CB 0.541 42.693 42.059 0.154 0.000 1.233 140 L HN 0.736 nan 8.230 nan 0.000 0.489 141 W N -0.143 121.092 121.300 -0.108 0.000 2.736 141 W HA 0.531 5.162 4.660 -0.049 0.000 0.335 141 W C -1.326 175.109 176.519 -0.140 0.000 1.059 141 W CA -0.665 56.542 57.345 -0.230 0.000 1.226 141 W CB 2.249 31.662 29.460 -0.080 0.000 1.416 141 W HN 0.545 nan 8.180 nan 0.000 0.505 142 T N 5.829 119.645 114.554 -1.230 0.000 2.837 142 T HA 0.447 4.769 4.350 -0.048 0.000 0.285 142 T C -0.169 174.135 174.700 -0.660 0.000 0.984 142 T CA -0.368 61.313 62.100 -0.698 0.000 1.049 142 T CB 0.932 69.472 68.868 -0.546 0.000 0.947 142 T HN 0.225 nan 8.240 nan 0.000 0.472 143 L N 2.948 124.045 121.223 -0.209 0.000 2.277 143 L HA 0.649 4.960 4.340 -0.048 0.000 0.284 143 L C 0.437 177.280 176.870 -0.045 0.000 1.028 143 L CA -0.663 54.129 54.840 -0.081 0.000 0.835 143 L CB 1.007 43.066 42.059 0.001 0.000 1.215 143 L HN 0.800 nan 8.230 nan 0.000 0.425 144 A N 1.004 123.784 122.820 -0.066 0.000 2.709 144 A HA 0.180 4.471 4.320 -0.048 0.000 0.241 144 A C 1.054 178.621 177.584 -0.029 0.000 0.879 144 A CA 0.076 52.089 52.037 -0.041 0.000 1.120 144 A CB 0.165 19.120 19.000 -0.074 0.000 1.226 144 A HN 0.637 nan 8.150 nan 0.000 0.468 145 S N -1.197 114.503 115.700 -0.000 0.000 2.522 145 S HA 0.322 4.763 4.470 -0.048 0.000 0.227 145 S C 1.635 176.229 174.600 -0.010 0.000 0.986 145 S CA 1.229 59.434 58.200 0.007 0.000 0.929 145 S CB -0.145 63.075 63.200 0.032 0.000 0.769 145 S HN 2.125 nan 8.310 nan 0.000 0.529 146 G N 0.622 109.399 108.800 -0.039 0.000 2.179 146 G HA2 -0.265 3.666 3.960 -0.048 0.000 0.260 146 G HA3 -0.265 3.666 3.960 -0.048 0.000 0.260 146 G C -0.253 174.599 174.900 -0.080 0.000 0.977 146 G CA 0.239 45.286 45.100 -0.088 0.000 0.641 146 G HN 0.745 nan 8.290 nan 0.000 0.533 147 D N -0.713 119.682 120.400 -0.009 0.000 2.481 147 D HA 0.642 5.253 4.640 -0.048 0.000 0.246 147 D C 1.581 177.951 176.300 0.117 0.000 1.109 147 D CA 0.331 54.350 54.000 0.031 0.000 0.845 147 D CB 0.980 41.797 40.800 0.027 0.000 1.160 147 D HN -0.074 nan 8.370 nan 0.000 0.534 148 T N 2.189 116.855 114.554 0.186 0.000 2.635 148 T HA -0.220 4.102 4.350 -0.048 0.000 0.267 148 T C 1.921 176.668 174.700 0.077 0.000 1.040 148 T CA 1.713 63.949 62.100 0.227 0.000 1.156 148 T CB -0.285 68.708 68.868 0.209 0.000 0.863 148 T HN 0.568 nan 8.240 nan 0.000 0.430 149 A N 1.780 124.632 122.820 0.052 0.000 1.883 149 A HA -0.185 4.106 4.320 -0.048 0.000 0.217 149 A C 2.280 179.873 177.584 0.016 0.000 1.186 149 A CA 1.883 53.933 52.037 0.021 0.000 0.624 149 A CB -0.530 18.481 19.000 0.019 0.000 0.822 149 A HN 0.503 nan 8.150 nan 0.000 0.444 150 K N -0.494 119.923 120.400 0.029 0.000 2.032 150 K HA -0.161 4.131 4.320 -0.048 0.000 0.209 150 K C 1.646 178.262 176.600 0.027 0.000 1.048 150 K CA 1.498 57.801 56.287 0.028 0.000 0.927 150 K CB -0.313 32.208 32.500 0.035 0.000 0.712 150 K HN 0.433 nan 8.250 nan 0.000 0.441 151 D N 1.043 121.466 120.400 0.039 0.000 2.104 151 D HA -0.145 4.467 4.640 -0.048 0.000 0.194 151 D C 1.946 178.210 176.300 -0.060 0.000 0.994 151 D CA 1.084 55.094 54.000 0.017 0.000 0.830 151 D CB -0.248 40.583 40.800 0.051 0.000 0.959 151 D HN 0.175 nan 8.370 nan 0.000 0.452 152 I N 1.198 121.724 120.570 -0.073 0.000 2.226 152 I HA -0.276 3.865 4.170 -0.048 0.000 0.245 152 I C 2.493 178.552 176.117 -0.096 0.000 1.100 152 I CA 0.995 62.226 61.300 -0.116 0.000 1.374 152 I CB -0.206 37.743 38.000 -0.085 0.000 1.057 152 I HN -0.072 nan 8.210 nan 0.000 0.413 153 A N 0.355 123.145 122.820 -0.050 0.000 1.851 153 A HA -0.292 3.999 4.320 -0.048 0.000 0.216 153 A C 2.283 179.844 177.584 -0.038 0.000 1.195 153 A CA 2.068 54.084 52.037 -0.035 0.000 0.622 153 A CB -0.790 18.202 19.000 -0.014 0.000 0.831 153 A HN 0.448 nan 8.150 nan 0.000 0.444 154 E N -0.918 119.270 120.200 -0.019 0.000 2.049 154 E HA -0.179 4.142 4.350 -0.048 0.000 0.198 154 E C 2.077 178.663 176.600 -0.025 0.000 1.007 154 E CA 1.215 57.617 56.400 0.004 0.000 0.809 154 E CB -0.437 29.322 29.700 0.097 0.000 0.749 154 E HN 0.554 nan 8.360 nan 0.000 0.450 155 G N 0.242 108.967 108.800 -0.124 0.000 2.432 155 G HA2 -0.296 3.635 3.960 -0.048 0.000 0.219 155 G HA3 -0.296 3.635 3.960 -0.048 0.000 0.219 155 G C 1.469 176.276 174.900 -0.155 0.000 1.135 155 G CA 0.886 45.772 45.100 -0.357 0.000 0.767 155 G HN 0.214 nan 8.290 nan 0.000 0.550 156 E N 0.582 120.715 120.200 -0.111 0.000 2.077 156 E HA -0.082 4.240 4.350 -0.048 0.000 0.193 156 E C 2.311 178.909 176.600 -0.004 0.000 0.989 156 E CA 1.127 57.500 56.400 -0.045 0.000 0.800 156 E CB -0.208 29.465 29.700 -0.045 0.000 0.746 156 E HN 0.489 nan 8.360 nan 0.000 0.452 157 K N -0.275 120.117 120.400 -0.014 0.000 2.032 157 K HA -0.125 4.166 4.320 -0.048 0.000 0.209 157 K C 1.837 178.440 176.600 0.005 0.000 1.048 157 K CA 1.212 57.490 56.287 -0.015 0.000 0.927 157 K CB -0.103 32.371 32.500 -0.043 0.000 0.712 157 K HN 0.151 nan 8.250 nan 0.000 0.441 158 L N 1.088 122.339 121.223 0.046 0.000 2.201 158 L HA -0.111 4.200 4.340 -0.048 0.000 0.212 158 L C 2.061 179.006 176.870 0.125 0.000 1.105 158 L CA 1.295 56.188 54.840 0.087 0.000 0.775 158 L CB -0.726 41.456 42.059 0.205 0.000 0.913 158 L HN 0.315 nan 8.230 nan 0.000 0.440 159 L N -0.645 120.673 121.223 0.157 0.000 2.610 159 L HA 0.061 4.372 4.340 -0.048 0.000 0.232 159 L C 1.558 178.467 176.870 0.065 0.000 1.149 159 L CA -0.413 54.506 54.840 0.133 0.000 0.872 159 L CB -0.429 41.715 42.059 0.142 0.000 0.992 159 L HN 0.118 nan 8.230 nan 0.000 0.447 166 A N 1.265 123.783 122.820 -0.504 0.000 2.371 166 A HA 0.833 5.124 4.320 -0.048 0.000 0.311 166 A C -1.254 175.974 177.584 -0.595 0.000 1.068 166 A CA -0.335 51.508 52.037 -0.324 0.000 0.744 166 A CB 0.941 19.902 19.000 -0.065 0.000 1.239 166 A HN 0.075 nan 8.150 nan 0.000 0.435 167 F N 0.705 120.724 119.950 0.115 0.000 2.565 167 F HA 0.580 5.078 4.527 -0.048 0.000 0.313 167 F C 0.195 176.033 175.800 0.063 0.000 1.091 167 F CA -0.563 57.493 58.000 0.094 0.000 0.915 167 F CB 2.583 41.629 39.000 0.077 0.000 1.208 167 F HN 0.550 nan 8.300 nan 0.000 0.453 168 K N 4.444 124.968 120.400 0.208 0.000 2.339 168 K HA 0.648 4.939 4.320 -0.048 0.000 0.264 168 K C -1.711 174.928 176.600 0.065 0.000 0.986 168 K CA -0.404 55.952 56.287 0.114 0.000 0.866 168 K CB 0.790 33.363 32.500 0.121 0.000 1.103 168 K HN 0.724 nan 8.250 nan 0.000 0.441 169 L N 4.354 125.610 121.223 0.055 0.000 2.295 169 L HA 0.453 4.764 4.340 -0.048 0.000 0.285 169 L C 0.001 176.886 176.870 0.024 0.000 1.035 169 L CA -0.935 53.935 54.840 0.049 0.000 0.806 169 L CB 1.268 43.364 42.059 0.061 0.000 1.214 169 L HN 0.468 nan 8.230 nan 0.000 0.426 170 K N 5.346 125.757 120.400 0.018 0.000 2.183 170 K HA 0.673 4.964 4.320 -0.048 0.000 0.274 170 K C -0.477 176.116 176.600 -0.011 0.000 1.009 170 K CA -0.374 55.901 56.287 -0.020 0.000 0.888 170 K CB 2.023 34.502 32.500 -0.035 0.000 1.078 170 K HN 0.597 nan 8.250 nan 0.000 0.459 171 I N -3.320 117.216 120.570 -0.056 0.000 3.467 171 I HA 0.674 4.815 4.170 -0.048 0.000 0.314 171 I C 0.518 176.560 176.117 -0.125 0.000 1.177 171 I CA -0.866 60.406 61.300 -0.046 0.000 0.943 171 I CB 2.079 40.094 38.000 0.024 0.000 1.338 171 I HN 0.669 nan 8.210 nan 0.000 0.482 172 G N 0.424 109.188 108.800 -0.059 0.000 2.179 172 G HA2 -0.154 3.777 3.960 -0.048 0.000 0.220 172 G HA3 -0.154 3.777 3.960 -0.048 0.000 0.220 172 G C 0.628 175.543 174.900 0.026 0.000 0.990 172 G CA 0.418 45.468 45.100 -0.083 0.000 0.646 172 G HN 1.357 nan 8.290 nan 0.000 0.517 173 A N -0.408 122.425 122.820 0.022 0.000 2.220 173 A HA 0.660 4.951 4.320 -0.048 0.000 0.211 173 A C 1.366 178.972 177.584 0.037 0.000 1.176 173 A CA 1.059 53.110 52.037 0.023 0.000 0.834 173 A CB 0.189 19.189 19.000 0.000 0.000 0.868 173 A HN 0.468 nan 8.150 nan 0.000 0.488 174 R N -0.283 120.253 120.500 0.060 0.000 2.960 174 R HA 0.431 4.742 4.340 -0.048 0.000 0.249 174 R C -0.808 175.549 176.300 0.096 0.000 1.192 174 R CA -1.055 55.078 56.100 0.056 0.000 1.035 174 R CB 0.484 30.799 30.300 0.025 0.000 1.234 174 R HN 0.142 nan 8.270 nan 0.000 0.493 175 E N 1.351 121.590 120.200 0.065 0.000 2.415 175 E HA -0.081 4.241 4.350 -0.048 0.000 0.262 175 E C 0.973 177.616 176.600 0.072 0.000 1.038 175 E CA 0.057 56.490 56.400 0.055 0.000 0.921 175 E CB 0.625 30.340 29.700 0.025 0.000 0.950 175 E HN 0.335 nan 8.360 nan 0.000 0.438 176 L N 3.538 124.778 121.223 0.028 0.000 1.990 176 L HA -0.265 4.047 4.340 -0.048 0.000 0.213 176 L C 2.048 178.928 176.870 0.016 0.000 1.072 176 L CA 2.753 57.585 54.840 -0.013 0.000 0.755 176 L CB -1.019 40.913 42.059 -0.212 0.000 0.889 176 L HN 0.683 nan 8.230 nan 0.000 0.432 177 A N -1.261 121.556 122.820 -0.005 0.000 1.917 177 A HA -0.291 4.000 4.320 -0.048 0.000 0.219 177 A C 2.391 180.000 177.584 0.041 0.000 1.182 177 A CA 2.951 54.993 52.037 0.008 0.000 0.633 177 A CB -1.476 17.523 19.000 -0.002 0.000 0.819 177 A HN 0.681 nan 8.150 nan 0.000 0.448 178 T N -2.556 112.028 114.554 0.050 0.000 2.737 178 T HA -0.157 4.165 4.350 -0.048 0.000 0.265 178 T C 1.490 176.254 174.700 0.106 0.000 1.038 178 T CA 1.565 63.703 62.100 0.063 0.000 1.144 178 T CB -0.527 68.367 68.868 0.042 0.000 0.866 178 T HN 0.351 nan 8.240 nan 0.000 0.434 179 D N 1.273 121.751 120.400 0.129 0.000 2.144 179 D HA 0.024 4.635 4.640 -0.048 0.000 0.199 179 D C 2.149 178.581 176.300 0.220 0.000 0.984 179 D CA 0.742 54.858 54.000 0.192 0.000 0.834 179 D CB -0.248 40.705 40.800 0.254 0.000 0.955 179 D HN 0.397 nan 8.370 nan 0.000 0.465 180 L N 0.187 121.507 121.223 0.163 0.000 2.109 180 L HA -0.064 4.247 4.340 -0.048 0.000 0.207 180 L C 2.536 179.463 176.870 0.094 0.000 1.086 180 L CA 0.825 55.740 54.840 0.125 0.000 0.760 180 L CB -0.142 41.960 42.059 0.071 0.000 0.910 180 L HN -0.081 nan 8.230 nan 0.000 0.437 181 R N -1.125 119.430 120.500 0.092 0.000 2.090 181 R HA -0.175 4.136 4.340 -0.048 0.000 0.228 181 R C 2.279 178.631 176.300 0.087 0.000 1.110 181 R CA 1.214 57.356 56.100 0.070 0.000 0.973 181 R CB -0.439 29.898 30.300 0.062 0.000 0.869 181 R HN 0.357 nan 8.270 nan 0.000 0.440 182 H N 0.276 119.364 119.070 0.031 0.000 2.293 182 H HA -0.104 4.423 4.556 -0.048 0.000 0.300 182 H C 2.176 177.517 175.328 0.021 0.000 1.082 182 H CA 2.287 58.349 56.048 0.023 0.000 1.308 182 H CB -0.351 29.428 29.762 0.029 0.000 1.375 182 H HN 0.031 nan 8.280 nan 0.000 0.495 183 T N -0.474 114.049 114.554 -0.052 0.000 2.777 183 T HA -0.167 4.154 4.350 -0.048 0.000 0.266 183 T C 2.220 176.870 174.700 -0.082 0.000 1.040 183 T CA 1.581 63.614 62.100 -0.110 0.000 1.141 183 T CB -0.380 68.512 68.868 0.039 0.000 0.868 183 T HN 0.422 nan 8.240 nan 0.000 0.444 184 R N 0.103 120.588 120.500 -0.025 0.000 2.091 184 R HA -0.033 4.278 4.340 -0.048 0.000 0.238 184 R C 2.610 178.885 176.300 -0.042 0.000 1.136 184 R CA 1.513 57.603 56.100 -0.017 0.000 0.959 184 R CB -0.677 29.626 30.300 0.005 0.000 0.856 184 R HN 0.469 nan 8.270 nan 0.000 0.437 185 A N 1.047 123.831 122.820 -0.060 0.000 1.908 185 A HA -0.154 4.137 4.320 -0.048 0.000 0.218 185 A C 2.153 179.678 177.584 -0.098 0.000 1.181 185 A CA 1.526 53.523 52.037 -0.066 0.000 0.627 185 A CB -0.496 18.469 19.000 -0.058 0.000 0.818 185 A HN 0.374 nan 8.150 nan 0.000 0.445 186 I N -0.541 119.930 120.570 -0.165 0.000 2.315 186 I HA -0.189 3.952 4.170 -0.048 0.000 0.248 186 I C 2.306 178.360 176.117 -0.104 0.000 1.117 186 I CA 0.921 62.117 61.300 -0.173 0.000 1.404 186 I CB -0.318 37.529 38.000 -0.255 0.000 1.071 186 I HN 0.144 nan 8.210 nan 0.000 0.419 187 V N 1.037 120.910 119.914 -0.069 0.000 2.343 187 V HA -0.269 3.823 4.120 -0.048 0.000 0.247 187 V C 2.362 178.446 176.094 -0.016 0.000 1.051 187 V CA 1.950 64.236 62.300 -0.022 0.000 1.036 187 V CB -0.687 31.133 31.823 -0.004 0.000 0.654 187 V HN 0.462 nan 8.190 nan 0.000 0.451 188 E N 0.478 120.663 120.200 -0.024 0.000 2.051 188 E HA -0.185 4.136 4.350 -0.048 0.000 0.192 188 E C 2.335 178.923 176.600 -0.019 0.000 0.991 188 E CA 1.351 57.742 56.400 -0.016 0.000 0.799 188 E CB -0.367 29.323 29.700 -0.016 0.000 0.748 188 E HN 0.602 nan 8.360 nan 0.000 0.449 189 A N 1.253 124.050 122.820 -0.038 0.000 1.855 189 A HA -0.118 4.174 4.320 -0.048 0.000 0.215 189 A C 1.768 179.328 177.584 -0.040 0.000 1.191 189 A CA 1.116 53.127 52.037 -0.043 0.000 0.613 189 A CB -0.310 18.651 19.000 -0.066 0.000 0.829 189 A HN 0.104 nan 8.150 nan 0.000 0.442 190 L N 0.685 121.875 121.223 -0.055 0.000 2.805 190 L HA 0.264 4.575 4.340 -0.048 0.000 0.237 190 L C 1.870 178.762 176.870 0.037 0.000 1.252 190 L CA 0.355 55.178 54.840 -0.028 0.000 1.064 190 L CB -1.153 40.838 42.059 -0.114 0.000 1.361 190 L HN 0.370 nan 8.230 nan 0.000 0.474 191 G N 0.106 108.919 108.800 0.022 0.000 3.035 191 G HA2 -0.403 3.529 3.960 -0.048 0.000 0.201 191 G HA3 -0.403 3.529 3.960 -0.048 0.000 0.201 191 G C 1.173 176.104 174.900 0.052 0.000 1.154 191 G CA 1.031 46.151 45.100 0.033 0.000 0.836 191 G HN 0.381 nan 8.290 nan 0.000 0.935 192 D N 0.666 121.091 120.400 0.042 0.000 2.177 192 D HA -0.190 4.421 4.640 -0.048 0.000 0.189 192 D C 2.310 178.643 176.300 0.054 0.000 1.002 192 D CA 1.698 55.723 54.000 0.042 0.000 0.845 192 D CB -0.202 40.617 40.800 0.031 0.000 0.960 192 D HN 0.389 nan 8.370 nan 0.000 0.447 193 R N 0.552 121.090 120.500 0.063 0.000 2.535 193 R HA 0.367 4.679 4.340 -0.048 0.000 0.233 193 R C -0.691 175.673 176.300 0.108 0.000 1.202 193 R CA 0.042 56.185 56.100 0.072 0.000 1.205 193 R CB -0.875 29.464 30.300 0.065 0.000 1.153 193 R HN 0.085 nan 8.270 nan 0.000 0.512 194 A N 0.102 123.001 122.820 0.132 0.000 2.488 194 A HA 0.417 4.708 4.320 -0.048 0.000 0.298 194 A C -0.974 176.710 177.584 0.165 0.000 1.044 194 A CA -0.583 51.570 52.037 0.193 0.000 0.693 194 A CB 1.798 21.048 19.000 0.416 0.000 1.272 194 A HN 0.220 nan 8.150 nan 0.000 0.402 195 S N 2.637 118.414 115.700 0.129 0.000 2.465 195 S HA 0.524 4.965 4.470 -0.048 0.000 0.279 195 S C -0.164 174.543 174.600 0.177 0.000 1.201 195 S CA -0.417 57.861 58.200 0.131 0.000 1.053 195 S CB -0.382 62.884 63.200 0.110 0.000 0.953 195 S HN 0.454 nan 8.310 nan 0.000 0.488 196 I N 5.529 126.197 120.570 0.164 0.000 2.321 196 I HA 0.468 4.609 4.170 -0.048 0.000 0.291 196 I C 0.206 176.387 176.117 0.107 0.000 0.998 196 I CA -0.504 60.891 61.300 0.158 0.000 1.227 196 I CB 1.172 39.241 38.000 0.115 0.000 1.368 196 I HN 0.625 nan 8.210 nan 0.000 0.466 197 R N 4.374 124.931 120.500 0.094 0.000 2.803 197 R HA 0.803 5.114 4.340 -0.048 0.000 0.276 197 R C -0.687 175.617 176.300 0.008 0.000 0.978 197 R CA -0.772 55.340 56.100 0.019 0.000 0.939 197 R CB 2.377 32.665 30.300 -0.020 0.000 1.179 197 R HN 0.494 nan 8.270 nan 0.000 0.472 198 V N -1.952 117.939 119.914 -0.038 0.000 2.914 198 V HA 0.729 4.820 4.120 -0.048 0.000 0.314 198 V C -1.213 174.820 176.094 -0.100 0.000 1.084 198 V CA -0.762 61.513 62.300 -0.043 0.000 0.963 198 V CB 2.290 34.097 31.823 -0.025 0.000 1.025 198 V HN 0.709 nan 8.190 nan 0.000 0.432 199 D N 1.744 122.079 120.400 -0.109 0.000 2.620 199 D HA 0.532 5.143 4.640 -0.048 0.000 0.252 199 D C 0.229 176.406 176.300 -0.205 0.000 1.207 199 D CA -0.302 53.614 54.000 -0.141 0.000 0.884 199 D CB 2.104 42.854 40.800 -0.084 0.000 1.262 199 D HN 0.374 nan 8.370 nan 0.000 0.552 200 V N 3.111 122.833 119.914 -0.320 0.000 3.608 200 V HA 0.072 4.163 4.120 -0.048 0.000 0.269 200 V C 0.997 176.905 176.094 -0.310 0.000 1.245 200 V CA 0.118 62.124 62.300 -0.491 0.000 1.138 200 V CB -1.433 29.817 31.823 -0.954 0.000 0.841 200 V HN 0.809 nan 8.190 nan 0.000 0.451 201 N N 1.674 120.262 118.700 -0.188 0.000 2.689 201 N HA -0.309 4.402 4.740 -0.048 0.000 0.263 201 N C 0.702 176.157 175.510 -0.091 0.000 0.987 201 N CA 1.177 54.172 53.050 -0.091 0.000 0.782 201 N CB -1.026 37.458 38.487 -0.006 0.000 0.903 201 N HN 0.736 nan 8.380 nan 0.000 0.547 202 Q N -3.572 116.154 119.800 -0.123 0.000 2.324 202 Q HA -0.339 3.973 4.340 -0.048 0.000 0.200 202 Q C 1.191 177.145 176.000 -0.076 0.000 0.645 202 Q CA 1.344 57.091 55.803 -0.094 0.000 1.377 202 Q CB -1.759 26.926 28.738 -0.088 0.000 1.486 202 Q HN 0.682 nan 8.270 nan 0.000 0.796 203 A N -0.093 122.647 122.820 -0.134 0.000 1.978 203 A HA -0.125 4.167 4.320 -0.048 0.000 0.220 203 A C 0.405 178.064 177.584 0.125 0.000 1.170 203 A CA 0.987 52.985 52.037 -0.065 0.000 0.636 203 A CB -0.172 18.743 19.000 -0.142 0.000 0.810 203 A HN 0.388 nan 8.150 nan 0.000 0.448 204 W N 1.923 123.223 121.300 0.001 0.000 2.376 204 W HA 0.369 5.002 4.660 -0.046 0.000 0.322 204 W C -0.073 176.449 176.519 0.005 0.000 1.160 204 W CA -1.761 55.586 57.345 0.003 0.000 1.218 204 W CB 0.149 29.612 29.460 0.006 0.000 1.205 204 W HN 0.410 nan 8.180 nan 0.000 0.559 205 D N 0.462 121.000 120.400 0.230 0.000 2.377 205 D HA 0.256 4.868 4.640 -0.048 0.000 0.245 205 D C 1.030 177.395 176.300 0.108 0.000 1.196 205 D CA -0.253 53.821 54.000 0.123 0.000 0.962 205 D CB 0.997 41.838 40.800 0.067 0.000 1.127 205 D HN 0.300 nan 8.370 nan 0.000 0.471 206 A N 0.892 123.756 122.820 0.074 0.000 1.908 206 A HA -0.109 4.183 4.320 -0.048 0.000 0.218 206 A C 2.238 179.836 177.584 0.022 0.000 1.181 206 A CA 2.678 54.750 52.037 0.058 0.000 0.627 206 A CB -1.109 17.918 19.000 0.045 0.000 0.818 206 A HN 0.725 nan 8.150 nan 0.000 0.445 207 A N -1.330 121.487 122.820 -0.005 0.000 1.873 207 A HA -0.046 4.245 4.320 -0.048 0.000 0.215 207 A C 2.310 179.833 177.584 -0.103 0.000 1.186 207 A CA 2.200 54.212 52.037 -0.041 0.000 0.616 207 A CB -1.228 17.748 19.000 -0.039 0.000 0.823 207 A HN 0.425 nan 8.150 nan 0.000 0.442 208 T N -0.194 114.274 114.554 -0.143 0.000 2.788 208 T HA -0.029 4.292 4.350 -0.048 0.000 0.268 208 T C 1.939 176.359 174.700 -0.467 0.000 1.044 208 T CA 1.375 63.267 62.100 -0.347 0.000 1.139 208 T CB -0.556 68.070 68.868 -0.403 0.000 0.867 208 T HN 0.578 nan 8.240 nan 0.000 0.454 209 G N 1.124 109.842 108.800 -0.136 0.000 2.418 209 G HA2 -0.045 3.886 3.960 -0.048 0.000 0.217 209 G HA3 -0.045 3.886 3.960 -0.048 0.000 0.217 209 G C 1.829 176.739 174.900 0.017 0.000 1.158 209 G CA 0.892 46.053 45.100 0.101 0.000 0.771 209 G HN 0.569 nan 8.290 nan 0.000 0.545 210 A N 0.746 123.554 122.820 -0.020 0.000 1.877 210 A HA -0.040 4.251 4.320 -0.048 0.000 0.216 210 A C 2.223 179.771 177.584 -0.061 0.000 1.186 210 A CA 2.194 54.221 52.037 -0.017 0.000 0.620 210 A CB -0.474 18.515 19.000 -0.018 0.000 0.822 210 A HN 0.399 nan 8.150 nan 0.000 0.443 211 K N -0.785 119.539 120.400 -0.127 0.000 2.026 211 K HA -0.096 4.195 4.320 -0.048 0.000 0.208 211 K C 2.087 178.578 176.600 -0.182 0.000 1.048 211 K CA 1.441 57.641 56.287 -0.146 0.000 0.929 211 K CB -0.580 31.814 32.500 -0.178 0.000 0.713 211 K HN 0.374 nan 8.250 nan 0.000 0.439 212 G N 0.776 109.359 108.800 -0.362 0.000 2.421 212 G HA2 -0.273 3.658 3.960 -0.048 0.000 0.216 212 G HA3 -0.273 3.658 3.960 -0.048 0.000 0.216 212 G C 1.664 176.564 174.900 0.001 0.000 1.171 212 G CA 1.057 45.915 45.100 -0.404 0.000 0.775 212 G HN 0.444 nan 8.290 nan 0.000 0.543 213 C N 0.020 119.381 119.300 0.101 0.000 2.425 213 C HA 0.052 4.483 4.460 -0.048 0.000 0.277 213 C C 2.981 178.013 174.990 0.070 0.000 1.280 213 C CA 0.622 59.733 59.018 0.155 0.000 1.744 213 C CB -0.836 26.994 27.740 0.151 0.000 1.989 213 C HN 0.446 nan 8.230 nan 0.000 0.491 214 R N 0.536 121.052 120.500 0.025 0.000 2.081 214 R HA -0.109 4.202 4.340 -0.048 0.000 0.235 214 R C 2.231 178.540 176.300 0.015 0.000 1.131 214 R CA 1.134 57.241 56.100 0.012 0.000 0.960 214 R CB -0.274 30.021 30.300 -0.007 0.000 0.856 214 R HN 0.573 nan 8.270 nan 0.000 0.436 215 E N 0.844 121.048 120.200 0.008 0.000 2.077 215 E HA -0.166 4.156 4.350 -0.048 0.000 0.193 215 E C 2.167 178.791 176.600 0.039 0.000 0.989 215 E CA 1.013 57.421 56.400 0.014 0.000 0.800 215 E CB -0.185 29.515 29.700 -0.000 0.000 0.746 215 E HN 0.331 nan 8.360 nan 0.000 0.452 216 L N 0.492 121.757 121.223 0.069 0.000 2.046 216 L HA -0.176 4.135 4.340 -0.048 0.000 0.208 216 L C 2.582 179.484 176.870 0.054 0.000 1.077 216 L CA 1.260 56.149 54.840 0.080 0.000 0.747 216 L CB -0.551 41.582 42.059 0.123 0.000 0.896 216 L HN 0.063 nan 8.230 nan 0.000 0.432 217 A N -0.038 122.811 122.820 0.047 0.000 1.902 217 A HA -0.165 4.126 4.320 -0.048 0.000 0.217 217 A C 2.522 180.124 177.584 0.029 0.000 1.181 217 A CA 1.711 53.768 52.037 0.035 0.000 0.623 217 A CB -0.710 18.307 19.000 0.027 0.000 0.818 217 A HN 0.406 nan 8.150 nan 0.000 0.443 218 A N 0.496 123.331 122.820 0.025 0.000 1.933 218 A HA -0.108 4.184 4.320 -0.048 0.000 0.218 218 A C 2.194 179.791 177.584 0.021 0.000 1.175 218 A CA 1.791 53.840 52.037 0.019 0.000 0.628 218 A CB -0.702 18.306 19.000 0.013 0.000 0.814 218 A HN 0.821 nan 8.150 nan 0.000 0.444 219 M N -2.727 116.888 119.600 0.026 0.000 2.618 219 M HA 0.397 4.848 4.480 -0.048 0.000 0.240 219 M C 1.111 177.428 176.300 0.028 0.000 1.123 219 M CA 1.026 56.340 55.300 0.024 0.000 1.060 219 M CB 0.025 32.640 32.600 0.025 0.000 1.535 219 M HN 0.647 nan 8.290 nan 0.000 0.507 220 G N 0.813 109.633 108.800 0.033 0.000 2.159 220 G HA2 -0.170 3.761 3.960 -0.048 0.000 0.227 220 G HA3 -0.170 3.761 3.960 -0.048 0.000 0.227 220 G C -0.088 174.842 174.900 0.050 0.000 0.986 220 G CA -0.128 44.996 45.100 0.040 0.000 0.651 220 G HN 0.368 nan 8.290 nan 0.000 0.523 221 V N 1.534 121.477 119.914 0.048 0.000 2.599 221 V HA 0.155 4.246 4.120 -0.048 0.000 0.300 221 V C 1.370 177.497 176.094 0.055 0.000 1.034 221 V CA 0.811 63.141 62.300 0.050 0.000 1.115 221 V CB 1.128 32.976 31.823 0.042 0.000 0.934 221 V HN 0.303 nan 8.190 nan 0.000 0.485 222 D N 2.746 123.193 120.400 0.079 0.000 2.249 222 D HA 0.125 4.736 4.640 -0.048 0.000 0.205 222 D C 0.132 176.455 176.300 0.039 0.000 0.962 222 D CA 0.839 54.918 54.000 0.131 0.000 0.860 222 D CB 0.523 41.467 40.800 0.241 0.000 0.955 222 D HN 0.311 nan 8.370 nan 0.000 0.505 223 L N 0.301 121.476 121.223 -0.080 0.000 2.513 223 L HA 0.381 4.692 4.340 -0.048 0.000 0.261 223 L C -1.831 174.920 176.870 -0.199 0.000 0.945 223 L CA -0.464 54.202 54.840 -0.290 0.000 0.848 223 L CB 2.281 43.996 42.059 -0.573 0.000 1.334 223 L HN -0.243 nan 8.230 nan 0.000 0.407 224 I N 3.515 123.971 120.570 -0.191 0.000 2.382 224 I HA 0.412 4.553 4.170 -0.048 0.000 0.286 224 I C -0.331 175.693 176.117 -0.156 0.000 1.002 224 I CA -0.491 60.734 61.300 -0.125 0.000 1.135 224 I CB 1.784 39.761 38.000 -0.039 0.000 1.288 224 I HN 0.609 nan 8.210 nan 0.000 0.448 225 E N 5.595 125.690 120.200 -0.175 0.000 2.227 225 E HA 0.115 4.436 4.350 -0.048 0.000 0.282 225 E C -0.157 176.360 176.600 -0.139 0.000 1.015 225 E CA -0.690 55.608 56.400 -0.169 0.000 0.823 225 E CB 0.855 30.446 29.700 -0.181 0.000 1.081 225 E HN 0.458 nan 8.360 nan 0.000 0.396 226 Q N 3.977 123.716 119.800 -0.102 0.000 2.398 226 Q HA -0.177 4.134 4.340 -0.048 0.000 0.367 226 Q C -1.924 174.008 176.000 -0.114 0.000 1.337 226 Q CA 0.667 56.416 55.803 -0.090 0.000 1.130 226 Q CB -0.264 28.418 28.738 -0.093 0.000 1.320 226 Q HN 0.492 nan 8.270 nan 0.000 0.352 227 P HA -0.133 nan 4.420 nan 0.000 0.217 227 P C 0.548 177.848 177.300 0.001 0.000 1.150 227 P CA 1.720 64.765 63.100 -0.092 0.000 0.832 227 P CB 0.023 31.780 31.700 0.095 0.000 0.787 228 V N -3.633 116.308 119.914 0.044 0.000 3.234 228 V HA 0.617 4.708 4.120 -0.048 0.000 0.317 228 V C 0.451 176.547 176.094 0.003 0.000 1.147 228 V CA -1.217 61.124 62.300 0.068 0.000 1.037 228 V CB 0.872 32.753 31.823 0.096 0.000 1.148 228 V HN -0.009 nan 8.190 nan 0.000 0.455 229 S N 0.257 115.962 115.700 0.009 0.000 2.572 229 S HA 0.455 4.897 4.470 -0.048 0.000 0.279 229 S C 1.277 175.840 174.600 -0.062 0.000 1.341 229 S CA 0.078 58.246 58.200 -0.053 0.000 1.043 229 S CB 0.927 64.107 63.200 -0.033 0.000 0.887 229 S HN 1.675 nan 8.310 nan 0.000 0.516 230 A N 3.022 125.758 122.820 -0.140 0.000 2.209 230 A HA 0.058 4.349 4.320 -0.048 0.000 0.212 230 A C 1.447 179.023 177.584 -0.012 0.000 1.158 230 A CA 0.947 52.925 52.037 -0.099 0.000 0.742 230 A CB -0.837 18.088 19.000 -0.125 0.000 0.790 230 A HN 1.015 nan 8.150 nan 0.000 0.472 231 H N -1.882 117.181 119.070 -0.012 0.000 2.548 231 H HA 0.024 4.551 4.556 -0.048 0.000 0.268 231 H C -0.029 175.298 175.328 -0.003 0.000 0.975 231 H CA 0.471 56.514 56.048 -0.009 0.000 1.195 231 H CB 0.457 30.216 29.762 -0.005 0.000 1.397 231 H HN 0.330 nan 8.280 nan 0.000 0.572 232 D N -0.485 119.982 120.400 0.110 0.000 2.749 232 D HA 0.070 4.681 4.640 -0.048 0.000 0.338 232 D C 0.102 176.430 176.300 0.045 0.000 1.236 232 D CA -0.163 53.880 54.000 0.072 0.000 0.845 232 D CB -0.414 40.430 40.800 0.074 0.000 1.080 232 D HN 0.220 nan 8.370 nan 0.000 0.497 233 N N 0.072 118.790 118.700 0.030 0.000 2.289 233 N HA -0.153 4.558 4.740 -0.048 0.000 0.184 233 N C 1.748 177.282 175.510 0.041 0.000 1.016 233 N CA 0.792 53.849 53.050 0.012 0.000 0.872 233 N CB 0.380 38.861 38.487 -0.010 0.000 0.973 233 N HN 0.279 nan 8.380 nan 0.000 0.433 234 A N 1.351 124.197 122.820 0.043 0.000 1.908 234 A HA -0.083 4.208 4.320 -0.048 0.000 0.218 234 A C 2.349 179.970 177.584 0.060 0.000 1.181 234 A CA 1.745 53.811 52.037 0.049 0.000 0.627 234 A CB -0.750 18.273 19.000 0.039 0.000 0.818 234 A HN 0.347 nan 8.150 nan 0.000 0.445 235 A N -0.715 122.142 122.820 0.061 0.000 1.898 235 A HA 0.014 4.305 4.320 -0.048 0.000 0.216 235 A C 2.123 179.761 177.584 0.090 0.000 1.181 235 A CA 1.625 53.703 52.037 0.069 0.000 0.620 235 A CB -0.599 18.442 19.000 0.069 0.000 0.819 235 A HN 0.631 nan 8.150 nan 0.000 0.442 236 L N -0.012 121.268 121.223 0.096 0.000 2.012 236 L HA -0.137 4.175 4.340 -0.048 0.000 0.210 236 L C 2.413 179.422 176.870 0.232 0.000 1.073 236 L CA 1.945 56.870 54.840 0.141 0.000 0.748 236 L CB -0.477 41.629 42.059 0.078 0.000 0.891 236 L HN 0.166 nan 8.230 nan 0.000 0.431 237 V N -0.121 119.919 119.914 0.211 0.000 2.295 237 V HA -0.303 3.788 4.120 -0.048 0.000 0.246 237 V C 2.757 178.922 176.094 0.118 0.000 1.049 237 V CA 2.155 64.590 62.300 0.224 0.000 1.024 237 V CB -0.760 31.158 31.823 0.158 0.000 0.648 237 V HN 0.534 nan 8.190 nan 0.000 0.447 238 R N -0.169 120.383 120.500 0.087 0.000 2.073 238 R HA -0.149 4.163 4.340 -0.048 0.000 0.234 238 R C 2.303 178.631 176.300 0.046 0.000 1.134 238 R CA 1.703 57.835 56.100 0.053 0.000 0.952 238 R CB -0.322 30.006 30.300 0.046 0.000 0.850 238 R HN 0.451 nan 8.270 nan 0.000 0.433 239 L N 0.659 121.923 121.223 0.067 0.000 2.046 239 L HA -0.175 4.136 4.340 -0.048 0.000 0.208 239 L C 2.677 179.565 176.870 0.030 0.000 1.077 239 L CA 1.678 56.553 54.840 0.060 0.000 0.747 239 L CB -0.535 41.578 42.059 0.091 0.000 0.896 239 L HN 0.376 nan 8.230 nan 0.000 0.432 240 S N -0.887 114.830 115.700 0.027 0.000 2.442 240 S HA -0.225 4.216 4.470 -0.048 0.000 0.236 240 S C 1.798 176.331 174.600 -0.112 0.000 1.007 240 S CA 1.019 59.159 58.200 -0.101 0.000 0.965 240 S CB -0.244 62.769 63.200 -0.312 0.000 0.773 240 S HN 0.520 nan 8.310 nan 0.000 0.504 241 Q N 0.493 120.260 119.800 -0.054 0.000 2.402 241 Q HA 0.073 4.385 4.340 -0.048 0.000 0.206 241 Q C 2.294 178.277 176.000 -0.027 0.000 0.919 241 Q CA 0.928 56.704 55.803 -0.046 0.000 0.923 241 Q CB 0.077 28.801 28.738 -0.023 0.000 1.048 241 Q HN 0.964 nan 8.270 nan 0.000 0.515 242 Q N -0.816 118.975 119.800 -0.014 0.000 2.353 242 Q HA 0.145 4.456 4.340 -0.048 0.000 0.240 242 Q C 0.321 176.319 176.000 -0.004 0.000 0.868 242 Q CA -0.147 55.652 55.803 -0.006 0.000 0.944 242 Q CB 0.575 29.315 28.738 0.002 0.000 1.104 242 Q HN 0.083 nan 8.270 nan 0.000 0.531 243 I N 3.263 123.831 120.570 -0.003 0.000 2.496 243 I HA 0.039 4.180 4.170 -0.048 0.000 0.285 243 I C 0.416 176.529 176.117 -0.005 0.000 1.080 243 I CA 0.147 61.449 61.300 0.003 0.000 1.404 243 I CB 1.000 39.009 38.000 0.015 0.000 1.403 243 I HN 0.292 nan 8.210 nan 0.000 0.539 244 E N 3.855 124.057 120.200 0.003 0.000 2.545 244 E HA 0.125 4.446 4.350 -0.048 0.000 0.271 244 E C 0.107 176.714 176.600 0.011 0.000 1.508 244 E CA 0.011 56.414 56.400 0.004 0.000 1.774 244 E CB 0.237 29.941 29.700 0.007 0.000 1.460 244 E HN 0.585 nan 8.360 nan 0.000 0.449 245 T N -0.854 113.703 114.554 0.004 0.000 2.733 245 T HA 0.455 4.776 4.350 -0.048 0.000 0.312 245 T C -1.522 173.164 174.700 -0.023 0.000 1.590 245 T CA -0.513 61.593 62.100 0.011 0.000 1.005 245 T CB 1.163 70.041 68.868 0.016 0.000 1.528 245 T HN 0.132 nan 8.240 nan 0.000 0.496 246 A N 2.430 125.227 122.820 -0.038 0.000 2.425 246 A HA 0.630 4.922 4.320 -0.048 0.000 0.249 246 A C -0.200 177.258 177.584 -0.211 0.000 1.084 246 A CA -0.291 51.664 52.037 -0.136 0.000 0.781 246 A CB -0.109 18.773 19.000 -0.196 0.000 1.019 246 A HN 0.602 nan 8.150 nan 0.000 0.490 247 I N 2.387 122.845 120.570 -0.187 0.000 2.404 247 I HA 0.324 4.465 4.170 -0.048 0.000 0.293 247 I C -0.197 175.895 176.117 -0.041 0.000 0.992 247 I CA -0.452 60.799 61.300 -0.083 0.000 1.149 247 I CB 1.278 39.313 38.000 0.058 0.000 1.315 247 I HN 0.549 nan 8.210 nan 0.000 0.446 248 L N 5.453 126.617 121.223 -0.099 0.000 2.305 248 L HA 0.624 4.935 4.340 -0.048 0.000 0.284 248 L C -0.000 176.862 176.870 -0.013 0.000 1.013 248 L CA -0.545 54.221 54.840 -0.123 0.000 0.819 248 L CB 1.610 43.443 42.059 -0.377 0.000 1.227 248 L HN 0.742 nan 8.230 nan 0.000 0.417 249 A N 3.304 126.152 122.820 0.048 0.000 2.328 249 A HA 0.365 4.656 4.320 -0.048 0.000 0.284 249 A C -0.263 177.259 177.584 -0.104 0.000 1.160 249 A CA -0.391 51.569 52.037 -0.129 0.000 0.818 249 A CB 1.085 19.844 19.000 -0.401 0.000 1.087 249 A HN 0.831 nan 8.150 nan 0.000 0.504 250 D N 0.771 121.103 120.400 -0.113 0.000 3.040 250 D HA 0.052 4.663 4.640 -0.048 0.000 0.221 250 D C 1.248 177.495 176.300 -0.088 0.000 1.515 250 D CA 0.343 54.300 54.000 -0.071 0.000 1.379 250 D CB -0.157 40.622 40.800 -0.035 0.000 0.992 250 D HN 0.398 nan 8.370 nan 0.000 0.234 251 E N 0.346 120.505 120.200 -0.068 0.000 2.267 251 E HA -0.009 4.312 4.350 -0.048 0.000 0.197 251 E C 1.672 178.214 176.600 -0.097 0.000 0.998 251 E CA 1.114 57.478 56.400 -0.060 0.000 0.830 251 E CB -0.347 29.320 29.700 -0.054 0.000 0.751 251 E HN 0.351 nan 8.360 nan 0.000 0.491 252 A N 0.054 122.788 122.820 -0.145 0.000 2.119 252 A HA 0.042 4.333 4.320 -0.048 0.000 0.217 252 A C 0.852 178.297 177.584 -0.231 0.000 1.153 252 A CA 0.518 52.448 52.037 -0.178 0.000 0.692 252 A CB 0.404 19.267 19.000 -0.229 0.000 0.799 252 A HN 0.117 nan 8.150 nan 0.000 0.458 253 V N -1.450 118.304 119.914 -0.266 0.000 2.524 253 V HA 0.662 4.753 4.120 -0.048 0.000 0.297 253 V C 0.208 176.183 176.094 -0.198 0.000 1.035 253 V CA 0.048 62.148 62.300 -0.332 0.000 0.867 253 V CB 1.347 32.724 31.823 -0.744 0.000 1.004 253 V HN 0.388 nan 8.190 nan 0.000 0.426 254 A N 4.812 127.568 122.820 -0.106 0.000 1.995 254 A HA 0.506 4.797 4.320 -0.048 0.000 0.200 254 A C 1.046 178.625 177.584 -0.008 0.000 1.566 254 A CA 0.942 52.961 52.037 -0.030 0.000 0.895 254 A CB 0.113 19.128 19.000 0.024 0.000 1.046 254 A HN 1.095 nan 8.150 nan 0.000 0.523 255 T N -4.122 110.442 114.554 0.018 0.000 2.937 255 T HA 0.641 4.962 4.350 -0.048 0.000 0.283 255 T C 1.152 175.859 174.700 0.012 0.000 1.012 255 T CA 0.108 62.234 62.100 0.044 0.000 0.997 255 T CB 1.499 70.458 68.868 0.152 0.000 1.136 255 T HN 0.717 nan 8.240 nan 0.000 0.551 256 A N -0.191 122.596 122.820 -0.055 0.000 1.978 256 A HA 0.016 4.307 4.320 -0.048 0.000 0.220 256 A C 1.959 179.526 177.584 -0.028 0.000 1.170 256 A CA 1.249 53.239 52.037 -0.078 0.000 0.636 256 A CB -1.441 17.442 19.000 -0.195 0.000 0.810 256 A HN 0.901 nan 8.150 nan 0.000 0.448 257 Y N 0.536 120.880 120.300 0.074 0.000 2.145 257 Y HA -0.218 4.303 4.550 -0.050 0.000 0.286 257 Y C 2.357 178.318 175.900 0.102 0.000 1.145 257 Y CA 1.260 59.419 58.100 0.099 0.000 1.148 257 Y CB -0.268 38.229 38.460 0.061 0.000 0.981 257 Y HN 0.285 nan 8.280 nan 0.000 0.507 258 D N -0.456 120.060 120.400 0.194 0.000 2.117 258 D HA -0.148 4.463 4.640 -0.048 0.000 0.197 258 D C 2.363 178.657 176.300 -0.011 0.000 0.987 258 D CA 1.457 55.489 54.000 0.053 0.000 0.829 258 D CB -0.858 39.920 40.800 -0.036 0.000 0.961 258 D HN 0.458 nan 8.370 nan 0.000 0.460 259 G N -0.033 108.760 108.800 -0.013 0.000 2.440 259 G HA2 -0.321 3.610 3.960 -0.048 0.000 0.218 259 G HA3 -0.321 3.610 3.960 -0.048 0.000 0.218 259 G C 1.600 176.643 174.900 0.237 0.000 1.154 259 G CA 0.789 45.914 45.100 0.042 0.000 0.767 259 G HN 0.311 nan 8.290 nan 0.000 0.552 260 Y N 1.185 121.562 120.300 0.129 0.000 2.163 260 Y HA -0.091 4.430 4.550 -0.049 0.000 0.288 260 Y C 3.015 178.990 175.900 0.126 0.000 1.136 260 Y CA 2.107 60.285 58.100 0.129 0.000 1.147 260 Y CB -0.383 38.137 38.460 0.100 0.000 0.987 260 Y HN 0.304 nan 8.280 nan 0.000 0.509 261 Q N 0.117 119.886 119.800 -0.052 0.000 2.061 261 Q HA -0.227 4.085 4.340 -0.048 0.000 0.204 261 Q C 2.435 178.365 176.000 -0.118 0.000 0.984 261 Q CA 2.078 57.808 55.803 -0.122 0.000 0.846 261 Q CB -0.404 28.359 28.738 0.041 0.000 0.902 261 Q HN 0.531 nan 8.270 nan 0.000 0.421 262 L N 0.003 121.205 121.223 -0.035 0.000 2.017 262 L HA -0.218 4.093 4.340 -0.048 0.000 0.208 262 L C 2.366 179.303 176.870 0.112 0.000 1.073 262 L CA 1.227 56.078 54.840 0.019 0.000 0.745 262 L CB -0.516 41.519 42.059 -0.039 0.000 0.894 262 L HN 0.280 nan 8.230 nan 0.000 0.432 263 A N -0.940 121.959 122.820 0.132 0.000 1.877 263 A HA -0.284 4.007 4.320 -0.048 0.000 0.216 263 A C 2.172 179.739 177.584 -0.029 0.000 1.186 263 A CA 1.737 53.840 52.037 0.110 0.000 0.620 263 A CB -0.687 18.370 19.000 0.094 0.000 0.822 263 A HN 0.512 nan 8.150 nan 0.000 0.443 264 Q N -0.206 119.462 119.800 -0.220 0.000 2.170 264 Q HA -0.236 4.075 4.340 -0.048 0.000 0.203 264 Q C 1.997 177.944 176.000 -0.089 0.000 0.976 264 Q CA 2.118 57.778 55.803 -0.238 0.000 0.858 264 Q CB -0.314 28.107 28.738 -0.528 0.000 0.907 264 Q HN 0.818 nan 8.270 nan 0.000 0.433 265 Q N -1.286 118.482 119.800 -0.052 0.000 2.364 265 Q HA -0.049 4.263 4.340 -0.048 0.000 0.207 265 Q C 0.485 176.509 176.000 0.040 0.000 0.970 265 Q CA 0.947 56.753 55.803 0.005 0.000 0.888 265 Q CB 0.094 28.846 28.738 0.024 0.000 0.951 265 Q HN 0.640 nan 8.270 nan 0.000 0.469 266 G N -0.159 108.673 108.800 0.053 0.000 2.175 266 G HA2 -0.260 3.671 3.960 -0.048 0.000 0.182 266 G HA3 -0.260 3.671 3.960 -0.048 0.000 0.182 266 G C -0.262 174.684 174.900 0.076 0.000 1.003 266 G CA -0.176 44.953 45.100 0.049 0.000 0.666 266 G HN 0.353 nan 8.290 nan 0.000 0.506 267 F N 2.466 122.419 119.950 0.004 0.000 2.572 267 F HA 0.579 5.078 4.527 -0.047 0.000 0.370 267 F C 0.511 176.307 175.800 -0.007 0.000 1.103 267 F CA 1.079 59.090 58.000 0.019 0.000 1.286 267 F CB 1.334 40.377 39.000 0.071 0.000 1.105 267 F HN 0.079 nan 8.300 nan 0.000 0.583 268 T N 4.527 118.512 114.554 -0.949 0.000 2.881 268 T HA 0.715 5.036 4.350 -0.048 0.000 0.290 268 T C -0.206 173.883 174.700 -1.018 0.000 1.000 268 T CA 0.259 61.933 62.100 -0.710 0.000 0.978 268 T CB 0.823 69.490 68.868 -0.335 0.000 0.997 268 T HN 1.229 nan 8.240 nan 0.000 0.443 269 G N 2.739 111.172 108.800 -0.611 0.000 2.451 269 G HA2 0.534 4.465 3.960 -0.048 0.000 0.083 269 G HA3 0.534 4.465 3.960 -0.048 0.000 0.083 269 G C -1.014 173.845 174.900 -0.069 0.000 1.107 269 G CA 0.123 45.017 45.100 -0.343 0.000 1.117 269 G HN 1.318 nan 8.290 nan 0.000 0.454 270 A N -1.410 121.449 122.820 0.064 0.000 2.527 270 A HA 0.834 5.125 4.320 -0.048 0.000 0.293 270 A C -1.901 175.836 177.584 0.256 0.000 1.117 270 A CA -0.538 51.544 52.037 0.074 0.000 0.723 270 A CB 1.456 20.406 19.000 -0.084 0.000 1.313 270 A HN 1.090 nan 8.150 nan 0.000 0.411 271 Y N -0.110 120.249 120.300 0.098 0.000 2.377 271 Y HA 0.618 5.139 4.550 -0.047 0.000 0.339 271 Y C 0.618 176.541 175.900 0.038 0.000 1.011 271 Y CA -1.438 56.682 58.100 0.034 0.000 1.093 271 Y CB 1.874 40.354 38.460 0.032 0.000 1.201 271 Y HN 0.805 nan 8.280 nan 0.000 0.455 272 A N 5.550 128.478 122.820 0.179 0.000 2.527 272 A HA 0.474 4.765 4.320 -0.048 0.000 0.313 272 A C -0.274 177.353 177.584 0.071 0.000 1.410 272 A CA -0.486 51.667 52.037 0.194 0.000 1.060 272 A CB -0.990 18.120 19.000 0.183 0.000 1.137 272 A HN 0.761 nan 8.150 nan 0.000 0.542 273 L N 2.261 123.464 121.223 -0.033 0.000 2.416 273 L HA 0.273 4.585 4.340 -0.048 0.000 0.272 273 L C 0.361 177.290 176.870 0.098 0.000 1.161 273 L CA 0.434 55.251 54.840 -0.039 0.000 0.845 273 L CB 0.436 42.348 42.059 -0.245 0.000 1.119 273 L HN 0.587 nan 8.230 nan 0.000 0.464 274 K N 3.511 124.053 120.400 0.237 0.000 2.535 274 K HA 0.262 4.553 4.320 -0.048 0.000 0.250 274 K C 0.815 177.492 176.600 0.129 0.000 0.948 274 K CA -0.574 55.857 56.287 0.240 0.000 0.796 274 K CB 2.481 35.017 32.500 0.060 0.000 1.216 274 K HN 0.581 nan 8.250 nan 0.000 0.432 275 I N -0.450 120.145 120.570 0.041 0.000 2.361 275 I HA -0.191 3.950 4.170 -0.048 0.000 0.251 275 I C 1.830 177.839 176.117 -0.180 0.000 1.133 275 I CA 1.578 62.821 61.300 -0.094 0.000 1.413 275 I CB -0.204 37.672 38.000 -0.207 0.000 1.073 275 I HN 0.589 nan 8.210 nan 0.000 0.424 276 A N 1.830 124.452 122.820 -0.330 0.000 1.933 276 A HA -0.162 4.129 4.320 -0.048 0.000 0.218 276 A C 2.388 179.616 177.584 -0.593 0.000 1.175 276 A CA 1.772 53.377 52.037 -0.720 0.000 0.628 276 A CB -0.513 17.677 19.000 -1.350 0.000 0.814 276 A HN 0.520 nan 8.150 nan 0.000 0.444 277 K N -0.677 119.552 120.400 -0.286 0.000 2.155 277 K HA 0.080 4.372 4.320 -0.048 0.000 0.203 277 K C 2.029 178.630 176.600 0.002 0.000 1.052 277 K CA 0.973 57.231 56.287 -0.048 0.000 0.948 277 K CB -0.135 32.368 32.500 0.005 0.000 0.728 277 K HN 0.434 nan 8.250 nan 0.000 0.448 278 A N 0.089 122.899 122.820 -0.017 0.000 2.095 278 A HA 0.235 4.526 4.320 -0.048 0.000 0.212 278 A C 1.343 178.933 177.584 0.011 0.000 1.162 278 A CA 0.924 52.970 52.037 0.014 0.000 0.753 278 A CB 0.239 19.256 19.000 0.029 0.000 0.840 278 A HN 0.364 nan 8.150 nan 0.000 0.468 279 G N -2.593 106.194 108.800 -0.021 0.000 2.148 279 G HA2 0.432 4.364 3.960 -0.048 0.000 0.157 279 G HA3 0.432 4.364 3.960 -0.048 0.000 0.157 279 G C 0.886 175.768 174.900 -0.030 0.000 1.012 279 G CA 0.209 45.303 45.100 -0.010 0.000 0.677 279 G HN 2.298 nan 8.290 nan 0.000 0.506 280 G N -1.560 107.204 108.800 -0.060 0.000 2.355 280 G HA2 0.421 4.352 3.960 -0.048 0.000 0.619 280 G HA3 0.421 4.352 3.960 -0.048 0.000 0.619 280 G C -1.603 173.246 174.900 -0.085 0.000 1.337 280 G CA 0.176 45.232 45.100 -0.074 0.000 0.993 280 G HN 0.279 nan 8.290 nan 0.000 0.599 281 P HA -0.068 nan 4.420 nan 0.000 0.218 281 P C 1.449 178.708 177.300 -0.068 0.000 1.148 281 P CA 1.563 64.579 63.100 -0.141 0.000 0.822 281 P CB 0.155 31.766 31.700 -0.148 0.000 0.784 282 N N -1.414 117.260 118.700 -0.044 0.000 2.305 282 N HA -0.049 4.662 4.740 -0.048 0.000 0.179 282 N C 1.590 177.099 175.510 -0.001 0.000 1.019 282 N CA 0.688 53.727 53.050 -0.018 0.000 0.869 282 N CB 0.021 38.496 38.487 -0.021 0.000 1.000 282 N HN -0.076 nan 8.380 nan 0.000 0.431 283 S N 0.578 116.275 115.700 -0.006 0.000 2.383 283 S HA -0.106 4.335 4.470 -0.048 0.000 0.229 283 S C 1.898 176.510 174.600 0.020 0.000 1.030 283 S CA 0.696 58.897 58.200 0.001 0.000 1.002 283 S CB -0.350 62.850 63.200 0.001 0.000 0.829 283 S HN 0.259 nan 8.310 nan 0.000 0.467 284 V N 2.070 122.008 119.914 0.040 0.000 2.759 284 V HA -0.062 4.029 4.120 -0.048 0.000 0.256 284 V C 1.702 177.871 176.094 0.124 0.000 1.080 284 V CA 1.233 63.594 62.300 0.101 0.000 1.101 284 V CB -0.504 31.427 31.823 0.179 0.000 0.698 284 V HN 0.474 nan 8.190 nan 0.000 0.477 285 L N -0.016 121.264 121.223 0.096 0.000 2.191 285 L HA -0.088 4.223 4.340 -0.048 0.000 0.212 285 L C 2.725 179.634 176.870 0.065 0.000 1.103 285 L CA 1.346 56.243 54.840 0.095 0.000 0.769 285 L CB -0.851 41.249 42.059 0.068 0.000 0.908 285 L HN 0.426 nan 8.230 nan 0.000 0.438 286 A N 0.100 122.941 122.820 0.034 0.000 1.898 286 A HA -0.178 4.114 4.320 -0.048 0.000 0.216 286 A C 2.313 179.915 177.584 0.029 0.000 1.181 286 A CA 1.220 53.261 52.037 0.006 0.000 0.620 286 A CB -0.591 18.382 19.000 -0.046 0.000 0.819 286 A HN 0.363 nan 8.150 nan 0.000 0.442 287 L N -0.680 120.571 121.223 0.048 0.000 2.046 287 L HA -0.185 4.126 4.340 -0.048 0.000 0.208 287 L C 2.894 179.851 176.870 0.146 0.000 1.077 287 L CA 1.536 56.430 54.840 0.091 0.000 0.747 287 L CB -0.542 41.567 42.059 0.083 0.000 0.896 287 L HN 0.444 nan 8.230 nan 0.000 0.432 288 A N -0.119 122.780 122.820 0.131 0.000 1.908 288 A HA -0.222 4.070 4.320 -0.048 0.000 0.218 288 A C 2.173 179.817 177.584 0.100 0.000 1.181 288 A CA 1.340 53.453 52.037 0.127 0.000 0.627 288 A CB -0.449 18.626 19.000 0.125 0.000 0.818 288 A HN 0.368 nan 8.150 nan 0.000 0.445 289 R N -0.450 120.099 120.500 0.081 0.000 2.092 289 R HA -0.041 4.271 4.340 -0.048 0.000 0.231 289 R C 2.098 178.441 176.300 0.073 0.000 1.119 289 R CA 1.266 57.404 56.100 0.063 0.000 0.970 289 R CB -1.414 28.913 30.300 0.044 0.000 0.864 289 R HN 0.437 nan 8.270 nan 0.000 0.440 290 V N 1.393 121.365 119.914 0.096 0.000 2.295 290 V HA -0.231 3.860 4.120 -0.048 0.000 0.246 290 V C 2.550 178.726 176.094 0.136 0.000 1.049 290 V CA 1.910 64.290 62.300 0.133 0.000 1.024 290 V CB -0.895 31.035 31.823 0.178 0.000 0.648 290 V HN 0.312 nan 8.190 nan 0.000 0.447 291 A N -0.788 122.117 122.820 0.141 0.000 1.883 291 A HA -0.314 3.977 4.320 -0.048 0.000 0.217 291 A C 2.166 179.751 177.584 0.001 0.000 1.186 291 A CA 2.144 54.199 52.037 0.030 0.000 0.624 291 A CB -0.545 18.470 19.000 0.025 0.000 0.822 291 A HN 0.643 nan 8.150 nan 0.000 0.444 292 Q N -0.790 119.029 119.800 0.032 0.000 2.084 292 Q HA -0.115 4.196 4.340 -0.048 0.000 0.202 292 Q C 2.413 178.428 176.000 0.024 0.000 0.978 292 Q CA 1.371 57.188 55.803 0.022 0.000 0.844 292 Q CB -0.400 28.356 28.738 0.031 0.000 0.898 292 Q HN 0.693 nan 8.270 nan 0.000 0.426 293 A N 0.977 123.823 122.820 0.042 0.000 1.972 293 A HA -0.053 4.238 4.320 -0.048 0.000 0.219 293 A C 2.126 179.738 177.584 0.046 0.000 1.169 293 A CA 1.519 53.584 52.037 0.047 0.000 0.635 293 A CB -0.449 18.589 19.000 0.064 0.000 0.810 293 A HN 0.370 nan 8.150 nan 0.000 0.446 294 A N -1.937 120.910 122.820 0.046 0.000 2.251 294 A HA 0.430 4.721 4.320 -0.048 0.000 0.209 294 A C 1.685 179.266 177.584 -0.005 0.000 1.187 294 A CA 1.104 53.161 52.037 0.033 0.000 0.823 294 A CB -0.826 18.202 19.000 0.047 0.000 0.846 294 A HN 1.866 nan 8.150 nan 0.000 0.486 295 G N -0.772 108.020 108.800 -0.014 0.000 2.137 295 G HA2 -0.216 3.715 3.960 -0.048 0.000 0.237 295 G HA3 -0.216 3.715 3.960 -0.048 0.000 0.237 295 G C 0.014 174.882 174.900 -0.053 0.000 1.002 295 G CA 0.309 45.393 45.100 -0.027 0.000 0.702 295 G HN 0.455 nan 8.290 nan 0.000 0.515 296 I N 1.463 121.978 120.570 -0.092 0.000 2.353 296 I HA 0.514 4.655 4.170 -0.048 0.000 0.293 296 I C 1.403 177.468 176.117 -0.088 0.000 0.992 296 I CA -0.267 60.934 61.300 -0.164 0.000 1.268 296 I CB 1.378 39.120 38.000 -0.430 0.000 1.387 296 I HN 0.152 nan 8.210 nan 0.000 0.478 297 G N 6.519 115.332 108.800 0.021 0.000 2.636 297 G HA2 0.476 4.407 3.960 -0.048 0.000 0.246 297 G HA3 0.476 4.407 3.960 -0.048 0.000 0.246 297 G C -0.510 174.492 174.900 0.171 0.000 1.216 297 G CA -0.481 44.711 45.100 0.154 0.000 0.854 297 G HN 0.466 nan 8.290 nan 0.000 0.572 298 L N -0.227 121.123 121.223 0.212 0.000 2.342 298 L HA 0.545 4.856 4.340 -0.048 0.000 0.271 298 L C -1.050 175.977 176.870 0.262 0.000 1.008 298 L CA -1.046 53.894 54.840 0.166 0.000 0.818 298 L CB 2.235 44.323 42.059 0.048 0.000 1.296 298 L HN 0.569 nan 8.230 nan 0.000 0.427 299 Y N 0.277 120.550 120.300 -0.046 0.000 2.470 299 Y HA 0.597 5.119 4.550 -0.046 0.000 0.341 299 Y C 0.034 175.668 175.900 -0.444 0.000 1.021 299 Y CA -0.969 57.066 58.100 -0.108 0.000 1.025 299 Y CB 2.226 40.677 38.460 -0.015 0.000 1.266 299 Y HN 0.533 nan 8.280 nan 0.000 0.448 300 G N 3.511 111.696 108.800 -1.024 0.000 2.530 300 G HA2 0.457 4.388 3.960 -0.048 0.000 0.313 300 G HA3 0.457 4.388 3.960 -0.048 0.000 0.313 300 G C 0.134 174.490 174.900 -0.905 0.000 0.971 300 G CA 0.045 44.197 45.100 -1.581 0.000 1.237 300 G HN 0.966 nan 8.290 nan 0.000 0.446 301 G N 0.439 108.949 108.800 -0.484 0.000 2.528 301 G HA2 0.572 4.503 3.960 -0.048 0.000 0.289 301 G HA3 0.572 4.503 3.960 -0.048 0.000 0.289 301 G C -0.403 174.527 174.900 0.050 0.000 1.192 301 G CA -0.225 44.776 45.100 -0.164 0.000 0.921 301 G HN 0.649 nan 8.290 nan 0.000 0.512 302 T N -0.555 113.978 114.554 -0.036 0.000 2.883 302 T HA 0.470 4.792 4.350 -0.048 0.000 0.296 302 T C 0.156 174.807 174.700 -0.081 0.000 1.117 302 T CA -0.693 61.364 62.100 -0.072 0.000 1.006 302 T CB 1.437 70.177 68.868 -0.214 0.000 1.191 302 T HN 0.190 nan 8.240 nan 0.000 0.508 303 M N 3.085 122.638 119.600 -0.078 0.000 2.589 303 M HA 0.410 4.861 4.480 -0.048 0.000 0.344 303 M C 0.232 176.497 176.300 -0.059 0.000 1.168 303 M CA 0.097 55.377 55.300 -0.033 0.000 0.956 303 M CB -0.843 31.776 32.600 0.032 0.000 1.370 303 M HN 0.681 nan 8.290 nan 0.000 0.518 304 L N 0.743 121.885 121.223 -0.134 0.000 3.512 304 L HA -0.245 4.066 4.340 -0.048 0.000 0.446 304 L C -0.288 176.537 176.870 -0.075 0.000 1.290 304 L CA 0.147 54.899 54.840 -0.146 0.000 0.871 304 L CB -1.707 40.289 42.059 -0.105 0.000 1.767 304 L HN 0.282 nan 8.230 nan 0.000 0.855 305 E N 0.220 120.377 120.200 -0.071 0.000 2.408 305 E HA 0.431 4.753 4.350 -0.048 0.000 0.259 305 E C 1.027 177.616 176.600 -0.019 0.000 1.110 305 E CA 0.743 57.123 56.400 -0.034 0.000 0.929 305 E CB 0.509 30.182 29.700 -0.045 0.000 0.971 305 E HN 0.291 nan 8.360 nan 0.000 0.438 306 G N -0.015 108.784 108.800 -0.001 0.000 2.485 306 G HA2 0.007 3.939 3.960 -0.048 0.000 0.260 306 G HA3 0.007 3.939 3.960 -0.048 0.000 0.260 306 G C 0.736 175.653 174.900 0.028 0.000 1.459 306 G CA -0.008 45.099 45.100 0.012 0.000 1.060 306 G HN 0.491 nan 8.290 nan 0.000 0.546 307 T N -0.411 114.168 114.554 0.042 0.000 2.746 307 T HA -0.131 4.190 4.350 -0.048 0.000 0.267 307 T C 2.562 177.276 174.700 0.024 0.000 1.039 307 T CA 1.332 63.464 62.100 0.053 0.000 1.142 307 T CB -0.232 68.671 68.868 0.058 0.000 0.866 307 T HN 0.126 nan 8.240 nan 0.000 0.444 308 V N 1.426 121.350 119.914 0.016 0.000 2.237 308 V HA -0.107 3.985 4.120 -0.048 0.000 0.245 308 V C 2.908 178.994 176.094 -0.014 0.000 1.046 308 V CA 2.122 64.427 62.300 0.008 0.000 1.007 308 V CB -1.372 30.461 31.823 0.017 0.000 0.638 308 V HN 0.580 nan 8.190 nan 0.000 0.445 309 G N -0.988 107.799 108.800 -0.021 0.000 2.432 309 G HA2 -0.215 3.716 3.960 -0.048 0.000 0.219 309 G HA3 -0.215 3.716 3.960 -0.048 0.000 0.219 309 G C 1.681 176.529 174.900 -0.087 0.000 1.135 309 G CA 1.477 46.544 45.100 -0.056 0.000 0.767 309 G HN 0.474 nan 8.290 nan 0.000 0.550 310 T N 0.189 114.710 114.554 -0.054 0.000 2.737 310 T HA -0.100 4.221 4.350 -0.048 0.000 0.265 310 T C 2.365 177.003 174.700 -0.102 0.000 1.038 310 T CA 1.171 63.237 62.100 -0.057 0.000 1.144 310 T CB -0.315 68.569 68.868 0.026 0.000 0.866 310 T HN 0.054 nan 8.240 nan 0.000 0.434 311 V N 1.383 121.254 119.914 -0.072 0.000 2.515 311 V HA -0.053 4.038 4.120 -0.048 0.000 0.250 311 V C 2.621 178.672 176.094 -0.073 0.000 1.058 311 V CA 1.729 63.970 62.300 -0.099 0.000 1.064 311 V CB -0.945 30.855 31.823 -0.038 0.000 0.675 311 V HN 0.504 nan 8.190 nan 0.000 0.461 312 A N -0.549 122.234 122.820 -0.062 0.000 1.883 312 A HA -0.206 4.086 4.320 -0.048 0.000 0.217 312 A C 2.453 179.876 177.584 -0.267 0.000 1.186 312 A CA 2.499 54.485 52.037 -0.085 0.000 0.624 312 A CB -0.871 18.063 19.000 -0.110 0.000 0.822 312 A HN 0.596 nan 8.150 nan 0.000 0.444 313 S N -0.053 115.392 115.700 -0.425 0.000 2.368 313 S HA -0.083 4.358 4.470 -0.048 0.000 0.225 313 S C 1.774 175.677 174.600 -1.161 0.000 1.030 313 S CA 1.249 58.894 58.200 -0.925 0.000 0.999 313 S CB -0.327 62.424 63.200 -0.748 0.000 0.844 313 S HN 0.383 nan 8.310 nan 0.000 0.459 314 L N 1.640 122.498 121.223 -0.607 0.000 2.079 314 L HA -0.111 4.200 4.340 -0.048 0.000 0.210 314 L C 2.308 179.000 176.870 -0.296 0.000 1.081 314 L CA 1.780 56.393 54.840 -0.377 0.000 0.752 314 L CB -1.754 40.148 42.059 -0.260 0.000 0.896 314 L HN 0.427 nan 8.230 nan 0.000 0.433 315 H N -0.554 118.373 119.070 -0.239 0.000 2.387 315 H HA -0.074 4.453 4.556 -0.049 0.000 0.299 315 H C 2.082 177.333 175.328 -0.129 0.000 1.090 315 H CA 1.538 57.497 56.048 -0.149 0.000 1.332 315 H CB 0.199 29.877 29.762 -0.140 0.000 1.386 315 H HN 0.309 nan 8.280 nan 0.000 0.516 316 A N 0.572 123.311 122.820 -0.133 0.000 1.872 316 A HA -0.136 4.155 4.320 -0.048 0.000 0.214 316 A C 2.407 180.106 177.584 0.193 0.000 1.187 316 A CA 0.868 52.860 52.037 -0.074 0.000 0.614 316 A CB -1.233 17.588 19.000 -0.299 0.000 0.826 316 A HN 0.509 nan 8.150 nan 0.000 0.442 317 W N 0.990 122.283 121.300 -0.010 0.000 2.350 317 W HA -0.202 4.435 4.660 -0.039 0.000 0.289 317 W C 2.794 179.302 176.519 -0.018 0.000 1.215 317 W CA 0.879 58.212 57.345 -0.021 0.000 1.236 317 W CB -0.209 29.223 29.460 -0.048 0.000 1.130 317 W HN 0.537 nan 8.180 nan 0.000 0.541 318 S N 0.087 115.903 115.700 0.194 0.000 2.419 318 S HA -0.205 4.236 4.470 -0.048 0.000 0.233 318 S C 1.618 176.271 174.600 0.089 0.000 1.016 318 S CA 1.651 59.909 58.200 0.097 0.000 0.974 318 S CB -1.078 62.139 63.200 0.028 0.000 0.786 318 S HN 0.299 nan 8.310 nan 0.000 0.492 319 T N -0.597 114.023 114.554 0.109 0.000 3.129 319 T HA 0.421 4.742 4.350 -0.048 0.000 0.251 319 T C 0.350 175.102 174.700 0.086 0.000 1.117 319 T CA -0.305 61.846 62.100 0.085 0.000 1.034 319 T CB -0.517 68.399 68.868 0.081 0.000 0.968 319 T HN 0.378 nan 8.240 nan 0.000 0.526 320 L N 0.564 121.851 121.223 0.107 0.000 2.323 320 L HA 0.583 4.894 4.340 -0.048 0.000 0.265 320 L C -2.836 174.064 176.870 0.050 0.000 1.012 320 L CA -2.997 51.892 54.840 0.082 0.000 0.820 320 L CB 2.033 44.156 42.059 0.107 0.000 1.334 320 L HN -0.234 nan 8.230 nan 0.000 0.427 321 P HA 0.287 nan 4.420 nan 0.000 0.284 321 P C -1.050 176.246 177.300 -0.008 0.000 1.343 321 P CA -0.006 63.095 63.100 0.002 0.000 0.826 321 P CB 0.357 32.053 31.700 -0.006 0.000 0.956 322 L N 3.575 124.787 121.223 -0.018 0.000 2.287 322 L HA 0.288 4.599 4.340 -0.048 0.000 0.280 322 L C 1.849 178.691 176.870 -0.047 0.000 1.055 322 L CA -0.309 54.518 54.840 -0.022 0.000 0.863 322 L CB 1.016 43.043 42.059 -0.054 0.000 1.245 322 L HN 0.419 nan 8.230 nan 0.000 0.432 323 Q N 2.648 122.387 119.800 -0.102 0.000 2.135 323 Q HA -0.177 4.135 4.340 -0.048 0.000 0.204 323 Q C 0.804 176.526 176.000 -0.464 0.000 0.981 323 Q CA 2.143 57.743 55.803 -0.338 0.000 0.856 323 Q CB 0.090 28.528 28.738 -0.500 0.000 0.902 323 Q HN 0.713 nan 8.270 nan 0.000 0.425 324 W N 0.454 121.791 121.300 0.061 0.000 3.330 324 W HA 0.373 5.003 4.660 -0.049 0.000 0.348 324 W C 1.029 177.685 176.519 0.228 0.000 1.205 324 W CA 0.209 57.627 57.345 0.122 0.000 1.841 324 W CB 0.060 29.573 29.460 0.090 0.000 1.084 324 W HN 0.429 nan 8.180 nan 0.000 0.665 325 G N 1.100 110.028 108.800 0.213 0.000 2.569 325 G HA2 -0.153 3.778 3.960 -0.048 0.000 0.259 325 G HA3 -0.153 3.778 3.960 -0.048 0.000 0.259 325 G C 0.034 174.930 174.900 -0.007 0.000 1.263 325 G CA 0.298 45.470 45.100 0.120 0.000 0.928 325 G HN 0.436 nan 8.290 nan 0.000 0.572 326 T N -2.676 111.841 114.554 -0.062 0.000 2.865 326 T HA 0.717 5.039 4.350 -0.048 0.000 0.294 326 T C 0.034 174.663 174.700 -0.119 0.000 1.119 326 T CA 0.442 62.366 62.100 -0.295 0.000 1.007 326 T CB 2.070 70.882 68.868 -0.093 0.000 1.225 326 T HN 1.485 nan 8.240 nan 0.000 0.515 327 E N 0.888 120.968 120.200 -0.200 0.000 3.167 327 E HA 0.324 4.645 4.350 -0.048 0.000 0.210 327 E C -0.415 176.104 176.600 -0.135 0.000 1.004 327 E CA -0.701 55.719 56.400 0.033 0.000 1.256 327 E CB 0.064 29.801 29.700 0.062 0.000 1.193 327 E HN 0.329 nan 8.360 nan 0.000 0.448 328 M N 1.922 121.546 119.600 0.039 0.000 3.690 328 M HA 0.192 4.644 4.480 -0.048 0.000 0.209 328 M C -0.369 176.051 176.300 0.200 0.000 1.403 328 M CA -0.466 54.861 55.300 0.046 0.000 1.621 328 M CB -0.752 31.939 32.600 0.153 0.000 1.056 328 M HN 0.430 nan 8.290 nan 0.000 0.593 329 F N -3.313 116.735 119.950 0.162 0.000 2.653 329 F HA 0.524 5.024 4.527 -0.044 0.000 0.304 329 F C 1.428 177.241 175.800 0.021 0.000 1.092 329 F CA -0.515 57.538 58.000 0.088 0.000 1.279 329 F CB -1.299 37.812 39.000 0.185 0.000 1.044 329 F HN 0.260 nan 8.300 nan 0.000 0.564 330 G N 2.253 110.947 108.800 -0.176 0.000 2.556 330 G HA2 -0.260 3.671 3.960 -0.048 0.000 0.220 330 G HA3 -0.260 3.671 3.960 -0.048 0.000 0.220 330 G C -0.640 174.288 174.900 0.046 0.000 1.156 330 G CA 1.256 46.308 45.100 -0.080 0.000 0.766 330 G HN 0.324 nan 8.290 nan 0.000 0.583 331 P HA -0.008 nan 4.420 nan 0.000 0.218 331 P C 1.849 179.159 177.300 0.016 0.000 1.149 331 P CA 0.605 63.742 63.100 0.063 0.000 0.817 331 P CB -0.112 31.689 31.700 0.168 0.000 0.785 332 L N -1.662 119.536 121.223 -0.041 0.000 2.465 332 L HA -0.057 4.254 4.340 -0.048 0.000 0.224 332 L C 1.853 178.799 176.870 0.128 0.000 1.145 332 L CA 0.749 55.572 54.840 -0.028 0.000 0.834 332 L CB -0.609 41.392 42.059 -0.096 0.000 0.944 332 L HN 0.029 nan 8.230 nan 0.000 0.451 333 L N -0.462 120.859 121.223 0.163 0.000 2.567 333 L HA 0.139 4.451 4.340 -0.048 0.000 0.225 333 L C 0.491 177.408 176.870 0.078 0.000 1.119 333 L CA -0.004 54.929 54.840 0.155 0.000 0.871 333 L CB 0.090 42.242 42.059 0.154 0.000 1.036 333 L HN 0.171 nan 8.230 nan 0.000 0.459 334 L N -0.456 120.794 121.223 0.046 0.000 2.334 334 L HA 0.288 4.599 4.340 -0.048 0.000 0.275 334 L C 1.066 177.940 176.870 0.006 0.000 1.036 334 L CA -0.480 54.365 54.840 0.009 0.000 0.807 334 L CB 1.475 43.522 42.059 -0.019 0.000 1.231 334 L HN -0.056 nan 8.230 nan 0.000 0.438 335 K N 0.234 120.632 120.400 -0.004 0.000 2.361 335 K HA 0.105 4.397 4.320 -0.048 0.000 0.196 335 K C -0.386 176.219 176.600 0.009 0.000 1.039 335 K CA 0.493 56.787 56.287 0.012 0.000 1.001 335 K CB 0.198 32.715 32.500 0.029 0.000 0.795 335 K HN 0.543 nan 8.250 nan 0.000 0.495 336 D N -0.577 119.799 120.400 -0.039 0.000 2.623 336 D HA 0.231 4.842 4.640 -0.048 0.000 0.241 336 D C -1.811 174.417 176.300 -0.119 0.000 1.241 336 D CA -0.462 53.514 54.000 -0.040 0.000 0.788 336 D CB 1.877 42.691 40.800 0.024 0.000 1.413 336 D HN -0.208 nan 8.370 nan 0.000 0.429 337 D N -0.238 120.132 120.400 -0.050 0.000 2.732 337 D HA 0.345 4.956 4.640 -0.048 0.000 0.292 337 D C 0.288 176.598 176.300 0.017 0.000 1.135 337 D CA -0.428 53.542 54.000 -0.049 0.000 1.071 337 D CB 1.420 42.220 40.800 -0.001 0.000 1.457 337 D HN 0.296 nan 8.370 nan 0.000 0.547 338 I N -0.528 120.053 120.570 0.017 0.000 3.891 338 I HA 0.230 4.371 4.170 -0.048 0.000 0.331 338 I C 0.339 176.458 176.117 0.004 0.000 1.406 338 I CA -0.506 60.815 61.300 0.035 0.000 1.139 338 I CB -0.189 37.815 38.000 0.005 0.000 1.056 338 I HN 0.101 nan 8.210 nan 0.000 0.399 339 V N -1.416 118.506 119.914 0.014 0.000 2.834 339 V HA 0.651 4.742 4.120 -0.048 0.000 0.313 339 V C 1.421 177.522 176.094 0.011 0.000 1.060 339 V CA 0.135 62.440 62.300 0.009 0.000 0.989 339 V CB 1.288 33.121 31.823 0.017 0.000 1.041 339 V HN 0.312 nan 8.190 nan 0.000 0.459 340 S N 1.861 117.564 115.700 0.004 0.000 2.387 340 S HA 0.087 4.528 4.470 -0.048 0.000 0.226 340 S C 0.611 175.218 174.600 0.011 0.000 1.026 340 S CA 0.806 59.008 58.200 0.004 0.000 0.972 340 S CB -0.202 62.997 63.200 -0.001 0.000 0.814 340 S HN 0.932 nan 8.310 nan 0.000 0.477 341 V N 4.142 124.065 119.914 0.014 0.000 2.525 341 V HA 0.495 4.586 4.120 -0.048 0.000 0.299 341 V C -2.349 173.761 176.094 0.027 0.000 1.034 341 V CA -1.939 60.372 62.300 0.018 0.000 0.863 341 V CB 1.864 33.694 31.823 0.011 0.000 0.999 341 V HN 0.320 nan 8.190 nan 0.000 0.423 342 P HA 0.382 nan 4.420 nan 0.000 0.276 342 P C -0.506 176.830 177.300 0.060 0.000 1.261 342 P CA -0.452 62.690 63.100 0.069 0.000 0.800 342 P CB 1.267 33.025 31.700 0.096 0.000 1.066 343 L N 0.389 121.657 121.223 0.076 0.000 2.464 343 L HA 0.251 4.562 4.340 -0.048 0.000 0.264 343 L C 1.240 178.099 176.870 -0.019 0.000 1.199 343 L CA -0.224 54.590 54.840 -0.045 0.000 0.818 343 L CB 0.177 42.122 42.059 -0.190 0.000 1.102 343 L HN 0.482 nan 8.230 nan 0.000 0.473 344 T N -0.959 113.516 114.554 -0.132 0.000 2.749 344 T HA 0.549 4.870 4.350 -0.048 0.000 0.287 344 T C -0.604 174.001 174.700 -0.158 0.000 0.970 344 T CA -0.490 61.584 62.100 -0.044 0.000 0.980 344 T CB 0.195 69.042 68.868 -0.035 0.000 0.924 344 T HN 0.173 nan 8.240 nan 0.000 0.456 345 F N 2.014 121.969 119.950 0.009 0.000 2.458 345 F HA 0.789 5.286 4.527 -0.051 0.000 0.330 345 F C 0.580 176.379 175.800 -0.002 0.000 1.082 345 F CA -0.601 57.407 58.000 0.013 0.000 0.995 345 F CB 2.095 41.113 39.000 0.029 0.000 1.170 345 F HN 1.036 nan 8.300 nan 0.000 0.478 346 A N 1.756 124.677 122.820 0.169 0.000 2.586 346 A HA 0.441 4.732 4.320 -0.048 0.000 0.296 346 A C -0.765 176.854 177.584 0.059 0.000 1.040 346 A CA -0.837 51.251 52.037 0.085 0.000 0.701 346 A CB 0.560 19.587 19.000 0.046 0.000 1.277 346 A HN 0.838 nan 8.150 nan 0.000 0.413 347 D N 0.957 121.377 120.400 0.035 0.000 2.740 347 D HA 0.095 4.707 4.640 -0.048 0.000 0.231 347 D C 1.293 177.610 176.300 0.028 0.000 1.194 347 D CA 2.944 56.956 54.000 0.020 0.000 0.673 347 D CB -0.914 39.893 40.800 0.012 0.000 0.995 347 D HN 2.531 nan 8.370 nan 0.000 0.411 348 G N 0.249 109.073 108.800 0.040 0.000 2.258 348 G HA2 -0.331 3.600 3.960 -0.048 0.000 0.274 348 G HA3 -0.331 3.600 3.960 -0.048 0.000 0.274 348 G C 0.213 175.164 174.900 0.085 0.000 1.021 348 G CA 0.958 46.089 45.100 0.052 0.000 0.798 348 G HN 0.680 nan 8.290 nan 0.000 0.507 349 Q N -2.093 117.768 119.800 0.102 0.000 2.553 349 Q HA 0.727 5.038 4.340 -0.048 0.000 0.293 349 Q C -1.176 174.851 176.000 0.045 0.000 1.038 349 Q CA -0.898 54.949 55.803 0.073 0.000 0.777 349 Q CB 3.037 31.787 28.738 0.020 0.000 1.487 349 Q HN 0.489 nan 8.270 nan 0.000 0.426 350 V N 0.133 119.998 119.914 -0.081 0.000 2.709 350 V HA 0.828 4.919 4.120 -0.048 0.000 0.308 350 V C -1.448 174.492 176.094 -0.257 0.000 1.062 350 V CA -0.436 61.649 62.300 -0.358 0.000 0.901 350 V CB 1.744 33.194 31.823 -0.622 0.000 1.003 350 V HN 0.873 nan 8.190 nan 0.000 0.425 351 A N 5.975 128.630 122.820 -0.275 0.000 2.328 351 A HA 0.698 4.989 4.320 -0.048 0.000 0.284 351 A C -0.685 176.776 177.584 -0.205 0.000 1.160 351 A CA -0.380 51.548 52.037 -0.182 0.000 0.818 351 A CB 0.765 19.685 19.000 -0.133 0.000 1.087 351 A HN 1.139 nan 8.150 nan 0.000 0.504 352 L N 5.122 126.240 121.223 -0.174 0.000 2.281 352 L HA 0.491 4.803 4.340 -0.048 0.000 0.285 352 L C -2.261 174.513 176.870 -0.160 0.000 1.074 352 L CA -1.604 53.102 54.840 -0.222 0.000 0.817 352 L CB 0.665 42.584 42.059 -0.233 0.000 1.168 352 L HN 0.399 nan 8.230 nan 0.000 0.434 353 P HA 0.127 nan 4.420 nan 0.000 0.269 353 P C -0.756 176.562 177.300 0.030 0.000 1.209 353 P CA -0.075 63.002 63.100 -0.039 0.000 0.776 353 P CB 0.474 32.176 31.700 0.003 0.000 0.876 354 Q N -0.020 119.801 119.800 0.034 0.000 2.110 354 Q HA 0.124 4.436 4.340 -0.048 0.000 0.232 354 Q C 0.285 176.308 176.000 0.038 0.000 0.810 354 Q CA 0.128 55.964 55.803 0.054 0.000 1.083 354 Q CB 0.237 28.989 28.738 0.024 0.000 1.193 354 Q HN 0.576 nan 8.270 nan 0.000 0.471 355 T N -2.046 112.530 114.554 0.036 0.000 2.810 355 T HA 0.512 4.833 4.350 -0.048 0.000 0.277 355 T C -2.530 172.174 174.700 0.007 0.000 0.973 355 T CA -1.951 60.158 62.100 0.016 0.000 0.949 355 T CB 0.846 69.721 68.868 0.011 0.000 1.075 355 T HN -0.165 nan 8.240 nan 0.000 0.537 356 P HA 0.373 nan 4.420 nan 0.000 0.265 356 P C 0.947 178.221 177.300 -0.044 0.000 1.193 356 P CA 1.403 64.488 63.100 -0.026 0.000 0.765 356 P CB -0.004 31.684 31.700 -0.020 0.000 0.823 357 G N 2.015 110.765 108.800 -0.085 0.000 2.525 357 G HA2 -0.301 3.630 3.960 -0.048 0.000 0.248 357 G HA3 -0.301 3.630 3.960 -0.048 0.000 0.248 357 G C 0.727 175.509 174.900 -0.195 0.000 1.238 357 G CA -0.002 45.024 45.100 -0.123 0.000 0.926 357 G HN 0.444 nan 8.290 nan 0.000 0.574 358 L N 1.425 122.567 121.223 -0.135 0.000 2.141 358 L HA 0.290 4.602 4.340 -0.048 0.000 0.209 358 L C 2.622 179.576 176.870 0.140 0.000 1.094 358 L CA 1.705 56.511 54.840 -0.057 0.000 0.763 358 L CB -0.563 41.494 42.059 -0.003 0.000 0.908 358 L HN 2.221 nan 8.230 nan 0.000 0.437 359 G N 0.019 108.851 108.800 0.053 0.000 2.159 359 G HA2 -0.212 3.719 3.960 -0.048 0.000 0.227 359 G HA3 -0.212 3.719 3.960 -0.048 0.000 0.227 359 G C 0.133 175.053 174.900 0.033 0.000 0.986 359 G CA 0.034 45.169 45.100 0.057 0.000 0.651 359 G HN 0.292 nan 8.290 nan 0.000 0.523 360 V N -2.801 117.129 119.914 0.027 0.000 2.823 360 V HA 0.962 5.053 4.120 -0.048 0.000 0.312 360 V C -0.537 175.564 176.094 0.011 0.000 1.072 360 V CA -1.345 60.965 62.300 0.017 0.000 0.937 360 V CB 2.196 34.031 31.823 0.020 0.000 1.013 360 V HN 0.272 nan 8.190 nan 0.000 0.430 361 E N 1.773 121.977 120.200 0.007 0.000 2.256 361 E HA 0.667 4.988 4.350 -0.048 0.000 0.267 361 E C -1.223 175.375 176.600 -0.004 0.000 0.892 361 E CA -0.818 55.584 56.400 0.003 0.000 0.775 361 E CB 1.932 31.633 29.700 0.001 0.000 1.207 361 E HN 0.881 nan 8.360 nan 0.000 0.420 362 L N 2.999 124.215 121.223 -0.012 0.000 2.367 362 L HA 0.231 4.542 4.340 -0.048 0.000 0.275 362 L C -0.464 176.373 176.870 -0.055 0.000 1.129 362 L CA 0.417 55.233 54.840 -0.039 0.000 0.839 362 L CB 0.769 42.796 42.059 -0.053 0.000 1.133 362 L HN 0.444 nan 8.230 nan 0.000 0.453 363 D N 4.096 124.457 120.400 -0.065 0.000 2.479 363 D HA 0.074 4.685 4.640 -0.048 0.000 0.218 363 D C 0.837 177.063 176.300 -0.124 0.000 1.131 363 D CA -0.038 53.926 54.000 -0.061 0.000 0.916 363 D CB 0.672 41.456 40.800 -0.026 0.000 1.022 363 D HN 0.658 nan 8.370 nan 0.000 0.515 364 E N 1.868 121.981 120.200 -0.144 0.000 2.130 364 E HA -0.198 4.123 4.350 -0.048 0.000 0.196 364 E C 0.809 177.285 176.600 -0.207 0.000 0.998 364 E CA 1.062 57.306 56.400 -0.261 0.000 0.806 364 E CB 0.354 29.991 29.700 -0.106 0.000 0.738 364 E HN 0.545 nan 8.360 nan 0.000 0.459 365 D N 0.516 120.886 120.400 -0.049 0.000 2.097 365 D HA -0.142 4.470 4.640 -0.048 0.000 0.195 365 D C 1.803 178.091 176.300 -0.020 0.000 0.989 365 D CA 1.134 55.138 54.000 0.006 0.000 0.827 365 D CB -0.079 40.708 40.800 -0.022 0.000 0.966 365 D HN 0.131 nan 8.370 nan 0.000 0.456 366 K N 0.085 120.462 120.400 -0.039 0.000 2.057 366 K HA -0.091 4.200 4.320 -0.048 0.000 0.206 366 K C 2.116 178.750 176.600 0.057 0.000 1.050 366 K CA 0.175 56.487 56.287 0.043 0.000 0.935 366 K CB -0.201 32.385 32.500 0.142 0.000 0.715 366 K HN 0.004 nan 8.250 nan 0.000 0.439 367 L N 1.454 122.591 121.223 -0.143 0.000 1.990 367 L HA -0.247 4.064 4.340 -0.048 0.000 0.213 367 L C 2.193 178.870 176.870 -0.321 0.000 1.072 367 L CA 1.986 56.627 54.840 -0.332 0.000 0.755 367 L CB -0.643 40.981 42.059 -0.724 0.000 0.889 367 L HN 0.279 nan 8.230 nan 0.000 0.432 368 H N -1.647 117.324 119.070 -0.164 0.000 2.389 368 H HA -0.158 4.371 4.556 -0.045 0.000 0.299 368 H C 2.100 177.397 175.328 -0.053 0.000 1.081 368 H CA 1.763 57.740 56.048 -0.118 0.000 1.345 368 H CB -0.679 29.037 29.762 -0.077 0.000 1.393 368 H HN 0.458 nan 8.280 nan 0.000 0.520 369 F N 1.172 121.057 119.950 -0.107 0.000 2.102 369 F HA -0.249 4.247 4.527 -0.052 0.000 0.298 369 F C 1.644 177.269 175.800 -0.293 0.000 1.105 369 F CA 1.285 59.127 58.000 -0.263 0.000 1.239 369 F CB -0.386 38.324 39.000 -0.484 0.000 0.991 369 F HN -0.007 nan 8.300 nan 0.000 0.474 370 Y N -0.008 120.303 120.300 0.020 0.000 2.490 370 Y HA 0.154 4.672 4.550 -0.054 0.000 0.281 370 Y C 1.104 176.969 175.900 -0.058 0.000 1.174 370 Y CA -0.040 58.022 58.100 -0.062 0.000 1.295 370 Y CB -1.244 37.240 38.460 0.040 0.000 1.062 370 Y HN -0.253 nan 8.280 nan 0.000 0.522 371 T N 1.290 115.881 114.554 0.062 0.000 2.902 371 T HA -0.028 4.294 4.350 -0.048 0.000 0.301 371 T C 1.538 176.280 174.700 0.069 0.000 1.012 371 T CA -0.123 62.028 62.100 0.084 0.000 1.151 371 T CB 0.922 69.849 68.868 0.097 0.000 0.946 371 T HN 0.354 nan 8.240 nan 0.000 0.542 372 R N 2.136 122.692 120.500 0.094 0.000 2.083 372 R HA -0.062 4.249 4.340 -0.048 0.000 0.237 372 R C 0.995 177.327 176.300 0.054 0.000 1.137 372 R CA 1.477 57.616 56.100 0.064 0.000 0.951 372 R CB 0.162 30.507 30.300 0.075 0.000 0.851 372 R HN 0.790 nan 8.270 nan 0.000 0.434 373 Q N 0.000 119.852 119.800 0.086 0.000 2.315 373 Q HA 0.000 4.311 4.340 -0.048 0.000 0.214 373 Q CA 0.000 55.848 55.803 0.076 0.000 1.022 373 Q CB 0.000 28.771 28.738 0.056 0.000 1.108 373 Q HN 0.000 nan 8.270 nan 0.000 0.481