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_H 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 42.056 42.059 -0.006 0.000 0.961 4 T N -0.629 113.922 114.554 -0.005 0.000 2.863 4 T HA 0.898 5.248 4.350 0.000 0.000 0.285 4 T C -0.564 174.134 174.700 -0.004 0.000 1.009 4 T CA 0.081 62.178 62.100 -0.005 0.000 0.989 4 T CB 2.924 71.790 68.868 -0.004 0.000 1.004 4 T HN 0.343 nan 8.240 nan 0.000 0.455 5 A N 1.996 124.814 122.820 -0.004 0.000 2.566 5 A HA 0.855 5.175 4.320 0.000 0.000 0.290 5 A C -0.119 177.463 177.584 -0.003 0.000 1.071 5 A CA -0.677 51.358 52.037 -0.003 0.000 0.658 5 A CB 0.995 19.993 19.000 -0.003 0.000 1.285 5 A HN 1.522 nan 8.150 nan 0.000 0.427 6 T N -1.718 112.835 114.554 -0.003 0.000 2.918 6 T HA 0.638 4.988 4.350 0.000 0.000 0.286 6 T C -0.045 174.653 174.700 -0.004 0.000 1.026 6 T CA -0.127 61.971 62.100 -0.003 0.000 1.031 6 T CB 1.278 70.144 68.868 -0.003 0.000 1.046 6 T HN 2.074 nan 8.240 nan 0.000 0.479 7 V N 2.061 121.972 119.914 -0.004 0.000 2.446 7 V HA 0.264 4.384 4.120 0.000 0.000 0.276 7 V C 1.073 177.162 176.094 -0.007 0.000 1.030 7 V CA 0.265 62.561 62.300 -0.006 0.000 1.033 7 V CB 0.195 32.014 31.823 -0.006 0.000 0.993 7 V HN 1.128 nan 8.190 nan 0.000 0.477 8 E N 4.188 124.385 120.200 -0.006 0.000 2.166 8 E HA 0.115 4.466 4.350 0.000 0.000 0.192 8 E C 0.631 177.223 176.600 -0.013 0.000 0.967 8 E CA 0.191 56.586 56.400 -0.008 0.000 0.840 8 E CB 0.443 30.141 29.700 -0.003 0.000 0.795 8 E HN 0.812 nan 8.360 nan 0.000 0.470 9 Q N -0.008 119.784 119.800 -0.013 0.000 2.435 9 Q HA 0.488 4.828 4.340 0.000 0.000 0.282 9 Q C -1.932 174.050 176.000 -0.031 0.000 1.020 9 Q CA -0.497 55.291 55.803 -0.024 0.000 0.820 9 Q CB 1.844 30.572 28.738 -0.016 0.000 1.436 9 Q HN 0.152 nan 8.270 nan 0.000 0.395 10 I N 2.102 122.637 120.570 -0.058 0.000 2.534 10 I HA 0.450 4.620 4.170 0.000 0.000 0.288 10 I C -0.781 175.246 176.117 -0.149 0.000 1.077 10 I CA -0.556 60.697 61.300 -0.078 0.000 1.051 10 I CB 2.305 40.266 38.000 -0.065 0.000 1.234 10 I HN 0.575 nan 8.210 nan 0.000 0.425 11 E N 4.005 124.073 120.200 -0.220 0.000 2.277 11 E HA 0.721 5.071 4.350 0.000 0.000 0.266 11 E C -1.152 175.046 176.600 -0.670 0.000 0.901 11 E CA -0.775 55.332 56.400 -0.488 0.000 0.782 11 E CB 2.544 31.901 29.700 -0.572 0.000 1.228 11 E HN 0.614 nan 8.360 nan 0.000 0.424 12 S N 1.006 116.165 115.700 -0.903 0.000 2.537 12 S HA 0.637 5.107 4.470 0.000 0.000 0.270 12 S C -1.465 172.725 174.600 -0.682 0.000 1.142 12 S CA -1.011 56.829 58.200 -0.600 0.000 0.870 12 S CB 1.240 64.308 63.200 -0.219 0.000 1.112 12 S HN 0.529 nan 8.310 nan 0.000 0.466 13 W N 1.065 122.385 121.300 0.034 0.000 3.032 13 W HA 0.505 5.165 4.660 0.000 0.000 0.335 13 W C -1.143 175.401 176.519 0.041 0.000 1.154 13 W CA -1.057 56.312 57.345 0.039 0.000 1.204 13 W CB 1.731 31.214 29.460 0.039 0.000 1.416 13 W HN 0.585 nan 8.180 nan 0.000 0.521 14 I N 2.733 123.462 120.570 0.264 0.000 2.315 14 I HA 0.248 4.418 4.170 0.000 0.000 0.291 14 I C -0.184 176.039 176.117 0.177 0.000 1.006 14 I CA -0.696 60.709 61.300 0.173 0.000 1.265 14 I CB 1.125 39.195 38.000 0.117 0.000 1.387 14 I HN -0.117 nan 8.210 nan 0.000 0.475 15 V N 5.589 125.591 119.914 0.146 0.000 2.417 15 V HA 0.294 4.414 4.120 0.000 0.000 0.291 15 V C -0.468 175.673 176.094 0.080 0.000 1.024 15 V CA -0.742 61.631 62.300 0.121 0.000 0.861 15 V CB 1.872 33.756 31.823 0.102 0.000 0.985 15 V HN 0.569 nan 8.190 nan 0.000 0.436 16 D N 4.051 124.505 120.400 0.089 0.000 2.454 16 D HA 0.363 5.003 4.640 0.000 0.000 0.225 16 D C -0.160 176.145 176.300 0.008 0.000 1.081 16 D CA 0.032 54.064 54.000 0.053 0.000 0.864 16 D CB 1.982 42.821 40.800 0.065 0.000 1.040 16 D HN 0.456 nan 8.370 nan 0.000 0.517 17 V N 0.709 120.557 119.914 -0.110 0.000 2.532 17 V HA 0.622 4.742 4.120 0.000 0.000 0.295 17 V C -2.470 173.535 176.094 -0.149 0.000 1.041 17 V CA -2.219 59.895 62.300 -0.310 0.000 0.926 17 V CB 1.740 33.356 31.823 -0.346 0.000 0.992 17 V HN 0.204 nan 8.190 nan 0.000 0.457 18 P HA 0.258 nan 4.420 nan 0.000 0.275 18 P C -0.026 177.263 177.300 -0.018 0.000 1.227 18 P CA 0.299 63.389 63.100 -0.015 0.000 0.781 18 P CB 1.131 32.863 31.700 0.054 0.000 0.906 19 T N 0.493 115.053 114.554 0.009 0.000 2.923 19 T HA 0.647 4.997 4.350 0.000 0.000 0.281 19 T C 0.919 175.639 174.700 0.034 0.000 0.995 19 T CA -0.906 61.206 62.100 0.019 0.000 0.985 19 T CB 0.596 69.477 68.868 0.023 0.000 1.114 19 T HN 0.424 nan 8.240 nan 0.000 0.548 33 Q N 1.114 120.911 119.800 -0.005 0.000 2.330 33 Q HA 0.690 5.030 4.340 0.000 0.000 0.269 33 Q C -1.050 174.952 176.000 0.002 0.000 1.022 33 Q CA 0.161 55.962 55.803 -0.003 0.000 0.796 33 Q CB 1.695 30.426 28.738 -0.012 0.000 1.271 33 Q HN 0.748 nan 8.270 nan 0.000 0.450 34 S N 4.564 120.276 115.700 0.019 0.000 2.438 34 S HA 0.612 5.082 4.470 0.000 0.000 0.293 34 S C -0.562 174.065 174.600 0.045 0.000 1.141 34 S CA -0.613 57.608 58.200 0.035 0.000 1.080 34 S CB 0.151 63.377 63.200 0.042 0.000 0.978 34 S HN 0.585 nan 8.310 nan 0.000 0.479 35 L N 2.626 123.881 121.223 0.053 0.000 2.346 35 L HA 0.657 4.997 4.340 0.000 0.000 0.274 35 L C -0.705 176.223 176.870 0.098 0.000 1.007 35 L CA -1.147 53.733 54.840 0.067 0.000 0.818 35 L CB 1.480 43.568 42.059 0.048 0.000 1.284 35 L HN 0.262 nan 8.230 nan 0.000 0.424 36 V N 4.172 124.151 119.914 0.109 0.000 2.333 36 V HA 0.371 4.491 4.120 0.000 0.000 0.274 36 V C 0.164 176.343 176.094 0.141 0.000 1.028 36 V CA -0.333 62.044 62.300 0.128 0.000 0.851 36 V CB 1.432 33.322 31.823 0.111 0.000 1.000 36 V HN 0.415 nan 8.190 nan 0.000 0.456 37 I N 5.405 126.100 120.570 0.209 0.000 2.437 37 I HA 0.505 4.675 4.170 0.000 0.000 0.298 37 I C -0.049 176.246 176.117 0.297 0.000 0.984 37 I CA -0.395 61.054 61.300 0.248 0.000 1.214 37 I CB 1.794 39.962 38.000 0.279 0.000 1.365 37 I HN 0.357 nan 8.210 nan 0.000 0.469 38 V N 7.443 127.483 119.914 0.211 0.000 2.680 38 V HA 0.609 4.729 4.120 0.000 0.000 0.309 38 V C -0.668 175.538 176.094 0.187 0.000 1.052 38 V CA -0.716 61.664 62.300 0.132 0.000 0.908 38 V CB 2.545 34.396 31.823 0.048 0.000 1.001 38 V HN 0.882 nan 8.190 nan 0.000 0.431 39 R N 5.288 125.879 120.500 0.153 0.000 2.451 39 R HA 0.597 4.937 4.340 0.000 0.000 0.307 39 R C -1.870 174.467 176.300 0.062 0.000 0.965 39 R CA -0.597 55.606 56.100 0.171 0.000 0.865 39 R CB 1.650 32.156 30.300 0.344 0.000 1.174 39 R HN 0.819 nan 8.270 nan 0.000 0.455 40 L N 3.971 125.220 121.223 0.044 0.000 2.296 40 L HA 0.524 4.864 4.340 0.000 0.000 0.286 40 L C -1.054 175.829 176.870 0.022 0.000 1.023 40 L CA -0.240 54.610 54.840 0.016 0.000 0.812 40 L CB 2.047 44.110 42.059 0.006 0.000 1.223 40 L HN 0.647 nan 8.230 nan 0.000 0.421 41 T N 4.630 119.193 114.554 0.016 0.000 2.794 41 T HA 0.519 4.869 4.350 0.000 0.000 0.280 41 T C -0.102 174.602 174.700 0.008 0.000 0.987 41 T CA -0.509 61.602 62.100 0.018 0.000 0.993 41 T CB 1.200 70.083 68.868 0.024 0.000 0.939 41 T HN 0.580 nan 8.240 nan 0.000 0.449 42 R N 0.972 121.476 120.500 0.007 0.000 2.607 42 R HA 0.397 4.737 4.340 0.000 0.000 0.261 42 R C 1.731 178.032 176.300 0.003 0.000 1.051 42 R CA -0.533 55.568 56.100 0.002 0.000 1.110 42 R CB 0.522 30.822 30.300 0.000 0.000 1.158 42 R HN 0.726 nan 8.270 nan 0.000 0.543 43 S N -0.233 115.467 115.700 0.001 0.000 2.474 43 S HA -0.141 4.329 4.470 0.000 0.000 0.235 43 S C 0.957 175.558 174.600 0.002 0.000 0.997 43 S CA 1.298 59.499 58.200 0.001 0.000 0.949 43 S CB -0.271 62.929 63.200 -0.001 0.000 0.766 43 S HN 0.761 nan 8.310 nan 0.000 0.517 44 D N 0.268 120.668 120.400 0.001 0.000 2.340 44 D HA 0.273 4.913 4.640 0.000 0.000 0.220 44 D C 1.417 177.719 176.300 0.003 0.000 1.039 44 D CA 0.537 54.538 54.000 0.001 0.000 0.866 44 D CB -0.635 40.165 40.800 -0.000 0.000 0.913 44 D HN 0.543 nan 8.370 nan 0.000 0.523 45 G N 0.261 109.064 108.800 0.006 0.000 2.199 45 G HA2 -0.275 3.685 3.960 0.000 0.000 0.254 45 G HA3 -0.275 3.685 3.960 0.000 0.000 0.254 45 G C 0.200 175.107 174.900 0.010 0.000 0.982 45 G CA 0.103 45.209 45.100 0.009 0.000 0.632 45 G HN 0.434 nan 8.290 nan 0.000 0.529 46 I N 1.099 121.673 120.570 0.007 0.000 2.529 46 I HA 0.355 4.525 4.170 0.000 0.000 0.284 46 I C 0.766 176.889 176.117 0.010 0.000 1.082 46 I CA -0.508 60.796 61.300 0.006 0.000 1.406 46 I CB 0.972 38.972 38.000 -0.001 0.000 1.405 46 I HN 0.148 nan 8.210 nan 0.000 0.548 47 C N 4.378 123.686 119.300 0.014 0.000 2.493 47 C HA 0.822 5.282 4.460 0.000 0.000 0.326 47 C C 0.553 175.552 174.990 0.016 0.000 1.200 47 C CA -0.418 58.614 59.018 0.023 0.000 1.739 47 C CB 1.112 28.875 27.740 0.039 0.000 2.300 47 C HN 0.927 nan 8.230 nan 0.000 0.500 48 G N 1.613 110.425 108.800 0.019 0.000 2.591 48 G HA2 0.762 4.722 3.960 0.000 0.000 0.306 48 G HA3 0.762 4.722 3.960 0.000 0.000 0.306 48 G C -1.050 173.867 174.900 0.028 0.000 1.334 48 G CA -0.459 44.646 45.100 0.009 0.000 0.981 48 G HN 0.935 nan 8.290 nan 0.000 0.491 49 I N -0.377 120.207 120.570 0.024 0.000 2.797 49 I HA 1.012 5.182 4.170 0.000 0.000 0.307 49 I C 0.177 176.311 176.117 0.028 0.000 1.033 49 I CA -1.199 60.130 61.300 0.048 0.000 1.071 49 I CB 2.606 40.640 38.000 0.056 0.000 1.255 49 I HN 0.712 nan 8.210 nan 0.000 0.445 50 G N 2.300 111.128 108.800 0.046 0.000 2.695 50 G HA2 0.564 4.524 3.960 0.000 0.000 0.290 50 G HA3 0.564 4.524 3.960 0.000 0.000 0.290 50 G C -2.194 172.732 174.900 0.044 0.000 1.410 50 G CA -0.543 44.572 45.100 0.025 0.000 0.844 50 G HN 0.869 nan 8.290 nan 0.000 0.478 51 E N -0.767 119.447 120.200 0.023 0.000 2.308 51 E HA 0.626 4.976 4.350 0.000 0.000 0.275 51 E C -1.220 175.397 176.600 0.028 0.000 0.890 51 E CA -1.048 55.374 56.400 0.037 0.000 0.754 51 E CB 2.177 31.892 29.700 0.024 0.000 1.207 51 E HN 0.834 nan 8.360 nan 0.000 0.426 52 A N 3.027 125.888 122.820 0.068 0.000 2.375 52 A HA 0.627 4.947 4.320 0.000 0.000 0.291 52 A C -0.960 176.720 177.584 0.161 0.000 1.160 52 A CA -0.428 51.675 52.037 0.110 0.000 0.747 52 A CB 1.693 20.786 19.000 0.155 0.000 1.170 52 A HN 0.451 nan 8.150 nan 0.000 0.458 53 T N 1.146 115.807 114.554 0.178 0.000 2.909 53 T HA 0.755 5.105 4.350 0.000 0.000 0.299 53 T C -0.164 174.708 174.700 0.286 0.000 1.073 53 T CA -0.319 61.886 62.100 0.174 0.000 0.999 53 T CB 1.935 70.851 68.868 0.079 0.000 1.098 53 T HN 0.770 nan 8.240 nan 0.000 0.477 54 T N 0.955 115.629 114.554 0.200 0.000 2.693 54 T HA 0.815 5.165 4.350 0.000 0.000 0.278 54 T C -1.390 173.347 174.700 0.062 0.000 0.994 54 T CA -0.668 61.546 62.100 0.189 0.000 1.033 54 T CB 0.783 69.674 68.868 0.039 0.000 1.342 54 T HN 0.470 nan 8.240 nan 0.000 0.538 55 I N 0.919 121.503 120.570 0.022 0.000 2.474 55 I HA 0.523 4.693 4.170 0.000 0.000 0.294 55 I C 1.075 177.261 176.117 0.115 0.000 1.005 55 I CA -0.591 60.662 61.300 -0.078 0.000 1.113 55 I CB 1.797 39.533 38.000 -0.440 0.000 1.289 55 I HN 0.955 nan 8.210 nan 0.000 0.436 56 G N 4.307 113.182 108.800 0.125 0.000 2.356 56 G HA2 -0.073 3.887 3.960 0.000 0.000 0.296 56 G HA3 -0.073 3.887 3.960 0.000 0.000 0.296 56 G C 0.916 175.901 174.900 0.142 0.000 1.022 56 G CA 0.767 45.998 45.100 0.219 0.000 0.961 56 G HN 1.513 nan 8.290 nan 0.000 0.510 57 G N -0.648 108.197 108.800 0.075 0.000 2.815 57 G HA2 -0.332 3.628 3.960 0.000 0.000 0.326 57 G HA3 -0.332 3.628 3.960 0.000 0.000 0.326 57 G C 0.918 175.820 174.900 0.003 0.000 1.191 57 G CA 0.866 45.982 45.100 0.028 0.000 0.965 57 G HN 1.387 nan 8.290 nan 0.000 0.564 58 L N 1.222 122.438 121.223 -0.011 0.000 2.959 58 L HA 0.330 4.670 4.340 0.000 0.000 0.259 58 L C 2.109 178.941 176.870 -0.064 0.000 1.185 58 L CA 0.624 55.437 54.840 -0.044 0.000 0.998 58 L CB 1.014 43.041 42.059 -0.052 0.000 1.337 58 L HN 0.370 nan 8.230 nan 0.000 0.555 59 S N -0.777 114.886 115.700 -0.062 0.000 2.489 59 S HA 0.015 4.485 4.470 0.000 0.000 0.228 59 S C 1.302 175.611 174.600 -0.484 0.000 0.995 59 S CA 0.922 58.974 58.200 -0.245 0.000 0.934 59 S CB 0.051 63.085 63.200 -0.278 0.000 0.771 59 S HN 0.435 nan 8.310 nan 0.000 0.522 60 Y N 0.526 120.796 120.300 -0.049 0.000 2.607 60 Y HA 0.442 4.992 4.550 0.000 0.000 0.276 60 Y C 1.403 177.270 175.900 -0.055 0.000 1.117 60 Y CA -0.057 58.017 58.100 -0.043 0.000 1.273 60 Y CB 0.240 38.688 38.460 -0.020 0.000 1.282 60 Y HN 0.238 nan 8.280 nan 0.000 0.514 61 G N -0.675 108.146 108.800 0.036 0.000 2.733 61 G HA2 0.418 4.378 3.960 0.000 0.000 0.288 61 G HA3 0.418 4.378 3.960 0.000 0.000 0.288 61 G C 0.067 174.890 174.900 -0.128 0.000 1.373 61 G CA -0.081 44.981 45.100 -0.062 0.000 0.895 61 G HN 0.009 nan 8.290 nan 0.000 0.479 62 V N -2.673 117.157 119.914 -0.139 0.000 3.461 62 V HA 0.315 4.435 4.120 0.000 0.000 0.267 62 V C 0.366 176.359 176.094 -0.168 0.000 1.186 62 V CA 0.654 62.882 62.300 -0.121 0.000 1.154 62 V CB -0.764 31.015 31.823 -0.073 0.000 0.802 62 V HN 0.510 nan 8.190 nan 0.000 0.474 63 E N 2.218 122.232 120.200 -0.310 0.000 2.092 63 E HA 0.480 4.830 4.350 0.000 0.000 0.271 63 E C -0.051 176.356 176.600 -0.321 0.000 0.919 63 E CA -0.053 56.145 56.400 -0.338 0.000 0.760 63 E CB 1.578 30.976 29.700 -0.503 0.000 1.106 63 E HN 0.670 nan 8.360 nan 0.000 0.408 64 S N 2.240 117.843 115.700 -0.162 0.000 2.693 64 S HA 0.317 4.787 4.470 0.000 0.000 0.276 64 S C -1.945 172.622 174.600 -0.055 0.000 1.192 64 S CA -1.324 56.817 58.200 -0.098 0.000 0.994 64 S CB 1.551 64.719 63.200 -0.053 0.000 1.012 64 S HN 0.123 nan 8.310 nan 0.000 0.550 65 P HA -0.126 nan 4.420 nan 0.000 0.216 65 P C 1.410 178.727 177.300 0.029 0.000 1.150 65 P CA 1.191 64.305 63.100 0.025 0.000 0.837 65 P CB -0.006 31.717 31.700 0.038 0.000 0.786 66 E N -0.137 120.073 120.200 0.017 0.000 2.152 66 E HA -0.084 4.266 4.350 0.000 0.000 0.192 66 E C 1.939 178.550 176.600 0.017 0.000 0.983 66 E CA 1.393 57.806 56.400 0.021 0.000 0.818 66 E CB -1.315 28.393 29.700 0.014 0.000 0.758 66 E HN 0.168 nan 8.360 nan 0.000 0.467 67 A N 1.627 124.448 122.820 0.001 0.000 1.929 67 A HA 0.004 4.324 4.320 0.000 0.000 0.216 67 A C 2.371 179.971 177.584 0.027 0.000 1.176 67 A CA 0.765 52.803 52.037 0.002 0.000 0.628 67 A CB -0.580 18.404 19.000 -0.027 0.000 0.816 67 A HN 0.172 nan 8.150 nan 0.000 0.444 68 I N -0.727 119.859 120.570 0.027 0.000 2.179 68 I HA -0.221 3.949 4.170 0.000 0.000 0.242 68 I C 2.868 179.028 176.117 0.072 0.000 1.088 68 I CA 1.525 62.862 61.300 0.062 0.000 1.357 68 I CB -0.279 37.771 38.000 0.083 0.000 1.051 68 I HN 0.425 nan 8.210 nan 0.000 0.409 69 S N 0.017 115.754 115.700 0.061 0.000 2.359 69 S HA -0.267 4.203 4.470 0.000 0.000 0.224 69 S C 2.303 176.947 174.600 0.072 0.000 1.035 69 S CA 2.202 60.434 58.200 0.055 0.000 1.018 69 S CB -0.418 62.811 63.200 0.049 0.000 0.876 69 S HN 0.493 nan 8.310 nan 0.000 0.448 70 S N 0.861 116.611 115.700 0.082 0.000 2.359 70 S HA -0.061 4.409 4.470 0.000 0.000 0.224 70 S C 2.116 176.830 174.600 0.190 0.000 1.035 70 S CA 1.620 59.892 58.200 0.120 0.000 1.018 70 S CB -0.943 62.284 63.200 0.045 0.000 0.876 70 S HN 0.742 nan 8.310 nan 0.000 0.448 71 A N 1.388 124.314 122.820 0.177 0.000 1.908 71 A HA -0.009 4.311 4.320 0.000 0.000 0.218 71 A C 2.172 179.878 177.584 0.202 0.000 1.181 71 A CA 1.651 53.834 52.037 0.242 0.000 0.627 71 A CB -0.846 18.240 19.000 0.142 0.000 0.818 71 A HN 0.645 nan 8.150 nan 0.000 0.445 72 I N -0.656 119.984 120.570 0.117 0.000 2.142 72 I HA -0.235 3.936 4.170 0.000 0.000 0.240 72 I C 2.687 178.819 176.117 0.024 0.000 1.078 72 I CA 1.861 63.198 61.300 0.061 0.000 1.343 72 I CB -0.790 37.224 38.000 0.023 0.000 1.046 72 I HN 0.270 nan 8.210 nan 0.000 0.405 73 T N -0.855 113.708 114.554 0.014 0.000 2.643 73 T HA -0.222 4.128 4.350 0.000 0.000 0.264 73 T C 1.854 176.459 174.700 -0.157 0.000 1.045 73 T CA 1.761 63.819 62.100 -0.070 0.000 1.155 73 T CB -0.444 68.393 68.868 -0.051 0.000 0.863 73 T HN 0.365 nan 8.240 nan 0.000 0.420 74 H N -0.963 118.000 119.070 -0.177 0.000 2.470 74 H HA 0.163 4.719 4.556 0.000 0.000 0.289 74 H C 1.260 176.188 175.328 -0.667 0.000 1.033 74 H CA 0.973 56.760 56.048 -0.434 0.000 1.331 74 H CB 0.101 29.509 29.762 -0.590 0.000 1.414 74 H HN 0.424 nan 8.280 nan 0.000 0.545 75 Y N -1.592 118.764 120.300 0.092 0.000 2.769 75 Y HA 0.164 4.714 4.550 0.000 0.000 0.266 75 Y C 1.971 177.884 175.900 0.022 0.000 1.091 75 Y CA -0.108 58.023 58.100 0.051 0.000 1.272 75 Y CB -0.167 38.323 38.460 0.050 0.000 1.469 75 Y HN -0.075 nan 8.280 nan 0.000 0.475 76 L N -0.372 120.953 121.223 0.171 0.000 2.093 76 L HA -0.175 4.165 4.340 0.000 0.000 0.208 76 L C 2.129 179.020 176.870 0.035 0.000 1.085 76 L CA 1.722 56.616 54.840 0.091 0.000 0.755 76 L CB -0.681 41.423 42.059 0.075 0.000 0.904 76 L HN 0.268 nan 8.230 nan 0.000 0.435 77 T N 0.361 114.916 114.554 0.002 0.000 2.643 77 T HA -0.093 4.257 4.350 0.000 0.000 0.264 77 T C -0.499 174.182 174.700 -0.033 0.000 1.045 77 T CA 1.704 63.784 62.100 -0.033 0.000 1.155 77 T CB -1.124 67.699 68.868 -0.074 0.000 0.863 77 T HN 0.298 nan 8.240 nan 0.000 0.420 78 P HA -0.001 nan 4.420 nan 0.000 0.221 78 P C 1.720 179.017 177.300 -0.005 0.000 1.150 78 P CA 0.669 63.748 63.100 -0.036 0.000 0.800 78 P CB -0.159 31.506 31.700 -0.058 0.000 0.787 79 L N -0.522 120.712 121.223 0.019 0.000 2.156 79 L HA -0.028 4.312 4.340 0.000 0.000 0.208 79 L C 2.090 178.971 176.870 0.018 0.000 1.095 79 L CA 1.594 56.453 54.840 0.031 0.000 0.770 79 L CB -1.077 41.017 42.059 0.058 0.000 0.914 79 L HN -0.037 nan 8.230 nan 0.000 0.439 80 L N -0.576 120.654 121.223 0.011 0.000 2.408 80 L HA 0.053 4.393 4.340 0.000 0.000 0.215 80 L C 1.002 177.870 176.870 -0.003 0.000 1.081 80 L CA -0.071 54.772 54.840 0.005 0.000 0.840 80 L CB -0.113 41.950 42.059 0.006 0.000 1.002 80 L HN 0.047 nan 8.230 nan 0.000 0.468 81 K N 1.107 121.501 120.400 -0.010 0.000 2.484 81 K HA 0.126 4.446 4.320 0.000 0.000 0.280 81 K C 1.043 177.637 176.600 -0.009 0.000 1.013 81 K CA 0.871 57.150 56.287 -0.014 0.000 1.029 81 K CB 0.339 32.825 32.500 -0.022 0.000 0.902 81 K HN 0.303 nan 8.250 nan 0.000 0.481 82 G N 1.826 110.622 108.800 -0.008 0.000 2.217 82 G HA2 -0.219 3.741 3.960 0.000 0.000 0.246 82 G HA3 -0.219 3.741 3.960 0.000 0.000 0.246 82 G C -0.003 174.895 174.900 -0.003 0.000 0.990 82 G CA -0.300 44.797 45.100 -0.006 0.000 0.627 82 G HN 0.522 nan 8.290 nan 0.000 0.522 83 Q N 0.767 120.566 119.800 -0.002 0.000 2.260 83 Q HA 0.403 4.743 4.340 0.000 0.000 0.242 83 Q C -2.548 173.451 176.000 -0.001 0.000 0.932 83 Q CA -1.855 53.947 55.803 -0.000 0.000 0.891 83 Q CB 0.914 29.654 28.738 0.002 0.000 1.222 83 Q HN 0.159 nan 8.270 nan 0.000 0.453 84 P HA -0.002 nan 4.420 nan 0.000 0.264 84 P C -0.285 177.013 177.300 -0.003 0.000 1.229 84 P CA 0.373 63.472 63.100 -0.002 0.000 0.780 84 P CB 0.383 32.083 31.700 -0.002 0.000 0.808 85 A N 4.128 126.945 122.820 -0.004 0.000 2.209 85 A HA -0.109 4.211 4.320 0.000 0.000 0.212 85 A C 1.494 179.073 177.584 -0.008 0.000 1.158 85 A CA 1.058 53.092 52.037 -0.006 0.000 0.742 85 A CB -0.558 18.438 19.000 -0.006 0.000 0.790 85 A HN 0.544 nan 8.150 nan 0.000 0.472 86 D N -1.421 118.974 120.400 -0.008 0.000 2.360 86 D HA -0.043 4.597 4.640 0.000 0.000 0.210 86 D C 0.107 176.401 176.300 -0.009 0.000 1.047 86 D CA -0.061 53.933 54.000 -0.010 0.000 0.854 86 D CB -0.292 40.503 40.800 -0.009 0.000 0.936 86 D HN 0.210 nan 8.370 nan 0.000 0.514 87 N N 1.412 120.108 118.700 -0.007 0.000 2.949 87 N HA 0.047 4.788 4.740 0.000 0.000 0.243 87 N C 0.862 176.369 175.510 -0.005 0.000 1.113 87 N CA -0.357 52.690 53.050 -0.005 0.000 0.980 87 N CB 0.921 39.407 38.487 -0.003 0.000 1.256 87 N HN 0.014 nan 8.380 nan 0.000 0.508 88 L N 3.571 124.789 121.223 -0.008 0.000 2.079 88 L HA -0.079 4.262 4.340 0.000 0.000 0.210 88 L C 1.594 178.462 176.870 -0.003 0.000 1.081 88 L CA 1.632 56.467 54.840 -0.008 0.000 0.752 88 L CB -0.469 41.582 42.059 -0.013 0.000 0.896 88 L HN 0.436 nan 8.230 nan 0.000 0.433 89 N N -0.045 118.654 118.700 -0.003 0.000 2.084 89 N HA -0.142 4.598 4.740 0.000 0.000 0.190 89 N C 1.819 177.331 175.510 0.004 0.000 1.030 89 N CA 1.646 54.697 53.050 0.001 0.000 0.849 89 N CB -0.451 38.036 38.487 -0.000 0.000 1.012 89 N HN 0.494 nan 8.380 nan 0.000 0.423 90 A N 1.178 124.000 122.820 0.003 0.000 1.898 90 A HA -0.026 4.294 4.320 0.000 0.000 0.216 90 A C 2.421 180.009 177.584 0.007 0.000 1.181 90 A CA 0.861 52.901 52.037 0.005 0.000 0.620 90 A CB -0.694 18.308 19.000 0.004 0.000 0.819 90 A HN 0.204 nan 8.150 nan 0.000 0.442 91 L N -0.778 120.448 121.223 0.005 0.000 2.093 91 L HA -0.144 4.197 4.340 0.000 0.000 0.208 91 L C 2.756 179.633 176.870 0.011 0.000 1.085 91 L CA 1.695 56.539 54.840 0.007 0.000 0.755 91 L CB -0.758 41.303 42.059 0.003 0.000 0.904 91 L HN 0.342 nan 8.230 nan 0.000 0.435 92 T N -0.209 114.351 114.554 0.010 0.000 2.777 92 T HA -0.127 4.223 4.350 0.000 0.000 0.266 92 T C 2.026 176.739 174.700 0.021 0.000 1.040 92 T CA 1.215 63.324 62.100 0.015 0.000 1.141 92 T CB -0.204 68.671 68.868 0.011 0.000 0.868 92 T HN 0.428 nan 8.240 nan 0.000 0.444 93 A N 1.708 124.540 122.820 0.019 0.000 1.902 93 A HA -0.120 4.200 4.320 0.000 0.000 0.217 93 A C 2.297 179.895 177.584 0.023 0.000 1.181 93 A CA 1.810 53.861 52.037 0.023 0.000 0.623 93 A CB -0.581 18.430 19.000 0.018 0.000 0.818 93 A HN 0.418 nan 8.150 nan 0.000 0.443 94 R N -0.906 119.606 120.500 0.019 0.000 2.081 94 R HA -0.086 4.254 4.340 0.000 0.000 0.235 94 R C 2.179 178.494 176.300 0.025 0.000 1.131 94 R CA 1.812 57.924 56.100 0.020 0.000 0.960 94 R CB -0.313 29.997 30.300 0.018 0.000 0.856 94 R HN 0.565 nan 8.270 nan 0.000 0.436 95 M N 0.479 120.094 119.600 0.026 0.000 2.086 95 M HA -0.156 4.324 4.480 0.000 0.000 0.261 95 M C 1.754 178.072 176.300 0.030 0.000 1.067 95 M CA 1.548 56.866 55.300 0.030 0.000 1.116 95 M CB -0.313 32.305 32.600 0.030 0.000 1.348 95 M HN 0.143 nan 8.290 nan 0.000 0.407 96 N N 0.330 119.050 118.700 0.033 0.000 2.270 96 N HA -0.054 4.687 4.740 0.000 0.000 0.181 96 N C 1.785 177.311 175.510 0.026 0.000 1.016 96 N CA 1.478 54.550 53.050 0.037 0.000 0.870 96 N CB -0.585 37.936 38.487 0.056 0.000 0.979 96 N HN 0.445 nan 8.380 nan 0.000 0.431 97 G N 0.130 108.944 108.800 0.024 0.000 2.422 97 G HA2 -0.051 3.909 3.960 0.000 0.000 0.218 97 G HA3 -0.051 3.909 3.960 0.000 0.000 0.218 97 G C 1.406 176.312 174.900 0.010 0.000 1.140 97 G CA 0.915 46.025 45.100 0.016 0.000 0.775 97 G HN 0.430 nan 8.290 nan 0.000 0.545 98 A N -0.625 122.203 122.820 0.013 0.000 2.197 98 A HA 0.514 4.834 4.320 0.000 0.000 0.210 98 A C 0.428 178.007 177.584 -0.008 0.000 1.180 98 A CA 0.233 52.277 52.037 0.011 0.000 0.846 98 A CB 0.403 19.421 19.000 0.030 0.000 0.884 98 A HN 0.184 nan 8.150 nan 0.000 0.487 99 I N 1.224 121.789 120.570 -0.008 0.000 2.447 99 I HA 0.337 4.507 4.170 0.000 0.000 0.287 99 I C -0.951 175.150 176.117 -0.027 0.000 1.023 99 I CA -0.899 60.380 61.300 -0.034 0.000 1.083 99 I CB 1.464 39.458 38.000 -0.009 0.000 1.245 99 I HN -0.027 nan 8.210 nan 0.000 0.434 100 K N 3.719 124.089 120.400 -0.050 0.000 2.174 100 K HA 0.529 4.849 4.320 0.000 0.000 0.275 100 K C 0.916 177.503 176.600 -0.021 0.000 1.015 100 K CA 0.175 56.442 56.287 -0.034 0.000 0.933 100 K CB 1.162 33.633 32.500 -0.049 0.000 1.025 100 K HN 0.872 nan 8.250 nan 0.000 0.463 101 G N 3.198 112.002 108.800 0.006 0.000 2.614 101 G HA2 -0.412 3.548 3.960 0.000 0.000 0.303 101 G HA3 -0.412 3.548 3.960 0.000 0.000 0.303 101 G C -0.075 174.852 174.900 0.044 0.000 1.270 101 G CA 0.443 45.560 45.100 0.029 0.000 0.988 101 G HN 0.855 nan 8.290 nan 0.000 0.551 102 N N -0.110 118.621 118.700 0.053 0.000 2.727 102 N HA -0.249 4.492 4.740 0.000 0.000 0.249 102 N C 1.541 177.129 175.510 0.130 0.000 1.048 102 N CA 1.885 54.982 53.050 0.079 0.000 0.714 102 N CB -1.341 37.171 38.487 0.041 0.000 0.959 102 N HN 1.473 nan 8.380 nan 0.000 0.544 103 T N -3.587 111.071 114.554 0.174 0.000 2.833 103 T HA -0.097 4.254 4.350 0.000 0.000 0.269 103 T C 1.571 176.370 174.700 0.166 0.000 1.054 103 T CA 0.887 63.078 62.100 0.152 0.000 1.135 103 T CB -0.379 68.569 68.868 0.133 0.000 0.869 103 T HN 0.340 nan 8.240 nan 0.000 0.466 104 F N 2.102 122.063 119.950 0.018 0.000 2.102 104 F HA 0.079 4.606 4.527 0.000 0.000 0.298 104 F C 3.073 178.884 175.800 0.018 0.000 1.105 104 F CA 0.895 58.905 58.000 0.018 0.000 1.239 104 F CB -0.577 38.434 39.000 0.019 0.000 0.991 104 F HN 0.249 nan 8.300 nan 0.000 0.474 105 A N 0.139 123.091 122.820 0.220 0.000 1.877 105 A HA -0.218 4.103 4.320 0.000 0.000 0.216 105 A C 2.109 179.742 177.584 0.082 0.000 1.186 105 A CA 1.769 53.883 52.037 0.129 0.000 0.620 105 A CB -0.630 18.438 19.000 0.112 0.000 0.822 105 A HN 0.320 nan 8.150 nan 0.000 0.443 106 K N -0.404 120.041 120.400 0.074 0.000 2.057 106 K HA -0.122 4.198 4.320 0.000 0.000 0.207 106 K C 2.446 179.055 176.600 0.016 0.000 1.049 106 K CA 1.375 57.688 56.287 0.043 0.000 0.931 106 K CB -0.238 32.288 32.500 0.043 0.000 0.714 106 K HN 0.456 nan 8.250 nan 0.000 0.440 107 S N 0.669 116.368 115.700 -0.002 0.000 2.370 107 S HA -0.182 4.288 4.470 0.000 0.000 0.226 107 S C 2.076 176.656 174.600 -0.033 0.000 1.033 107 S CA 1.309 59.481 58.200 -0.047 0.000 1.011 107 S CB -0.232 62.897 63.200 -0.118 0.000 0.852 107 S HN 0.376 nan 8.310 nan 0.000 0.457 108 A N 2.045 124.863 122.820 -0.003 0.000 1.883 108 A HA -0.038 4.283 4.320 0.000 0.000 0.217 108 A C 2.139 179.727 177.584 0.007 0.000 1.186 108 A CA 1.665 53.708 52.037 0.010 0.000 0.624 108 A CB -0.785 18.241 19.000 0.042 0.000 0.822 108 A HN 0.570 nan 8.150 nan 0.000 0.444 109 I N -0.163 120.414 120.570 0.012 0.000 2.179 109 I HA -0.214 3.956 4.170 0.000 0.000 0.242 109 I C 2.448 178.561 176.117 -0.005 0.000 1.088 109 I CA 1.877 63.181 61.300 0.007 0.000 1.357 109 I CB -1.466 36.542 38.000 0.014 0.000 1.051 109 I HN 0.566 nan 8.210 nan 0.000 0.409 110 E N 0.466 120.659 120.200 -0.012 0.000 2.110 110 E HA -0.201 4.149 4.350 0.000 0.000 0.193 110 E C 2.050 178.628 176.600 -0.038 0.000 0.988 110 E CA 1.808 58.194 56.400 -0.023 0.000 0.804 110 E CB 0.156 29.840 29.700 -0.027 0.000 0.745 110 E HN 0.400 nan 8.360 nan 0.000 0.458 111 T N 0.391 114.919 114.554 -0.042 0.000 2.708 111 T HA -0.147 4.203 4.350 0.000 0.000 0.266 111 T C 1.823 176.497 174.700 -0.043 0.000 1.037 111 T CA 1.330 63.397 62.100 -0.055 0.000 1.146 111 T CB -0.276 68.560 68.868 -0.053 0.000 0.865 111 T HN 0.329 nan 8.240 nan 0.000 0.435 112 A N 1.130 123.937 122.820 -0.022 0.000 1.902 112 A HA 0.021 4.342 4.320 0.000 0.000 0.217 112 A C 2.304 179.876 177.584 -0.020 0.000 1.181 112 A CA 1.180 53.210 52.037 -0.011 0.000 0.623 112 A CB -0.849 18.155 19.000 0.007 0.000 0.818 112 A HN 0.474 nan 8.150 nan 0.000 0.443 113 L N -0.772 120.438 121.223 -0.022 0.000 2.046 113 L HA -0.190 4.151 4.340 0.000 0.000 0.208 113 L C 2.574 179.422 176.870 -0.036 0.000 1.077 113 L CA 1.103 55.929 54.840 -0.023 0.000 0.747 113 L CB -0.510 41.538 42.059 -0.019 0.000 0.896 113 L HN 0.372 nan 8.230 nan 0.000 0.432 114 L N -0.559 120.633 121.223 -0.051 0.000 2.056 114 L HA -0.215 4.125 4.340 0.000 0.000 0.207 114 L C 2.316 179.133 176.870 -0.088 0.000 1.078 114 L CA 1.175 55.971 54.840 -0.072 0.000 0.749 114 L CB -0.502 41.502 42.059 -0.091 0.000 0.901 114 L HN 0.287 nan 8.230 nan 0.000 0.433 115 D N 0.221 120.571 120.400 -0.084 0.000 2.104 115 D HA -0.210 4.430 4.640 0.000 0.000 0.194 115 D C 2.127 178.392 176.300 -0.059 0.000 0.994 115 D CA 1.640 55.589 54.000 -0.084 0.000 0.830 115 D CB 0.124 40.890 40.800 -0.057 0.000 0.959 115 D HN 0.243 nan 8.370 nan 0.000 0.452 116 A N -0.186 122.611 122.820 -0.039 0.000 1.877 116 A HA -0.193 4.127 4.320 0.000 0.000 0.216 116 A C 2.214 179.780 177.584 -0.030 0.000 1.186 116 A CA 1.963 53.984 52.037 -0.026 0.000 0.620 116 A CB -0.874 18.117 19.000 -0.015 0.000 0.822 116 A HN 0.303 nan 8.150 nan 0.000 0.443 117 Q N 0.045 119.824 119.800 -0.036 0.000 2.224 117 Q HA 0.010 4.350 4.340 0.000 0.000 0.203 117 Q C 1.866 177.841 176.000 -0.041 0.000 0.970 117 Q CA 1.749 57.532 55.803 -0.034 0.000 0.865 117 Q CB -0.968 27.750 28.738 -0.033 0.000 0.922 117 Q HN 0.511 nan 8.270 nan 0.000 0.445 118 G N 0.426 109.191 108.800 -0.059 0.000 2.421 118 G HA2 -0.254 3.706 3.960 0.000 0.000 0.216 118 G HA3 -0.254 3.706 3.960 0.000 0.000 0.216 118 G C 1.307 176.178 174.900 -0.049 0.000 1.171 118 G CA 0.774 45.834 45.100 -0.068 0.000 0.775 118 G HN 0.371 nan 8.290 nan 0.000 0.543 119 K N 0.658 121.032 120.400 -0.043 0.000 2.097 119 K HA 0.014 4.334 4.320 0.000 0.000 0.206 119 K C 2.876 179.463 176.600 -0.021 0.000 1.049 119 K CA 1.007 57.276 56.287 -0.029 0.000 0.933 119 K CB -0.225 32.262 32.500 -0.022 0.000 0.717 119 K HN 0.270 nan 8.250 nan 0.000 0.442 120 A N 1.003 123.810 122.820 -0.021 0.000 2.019 120 A HA -0.086 4.234 4.320 0.000 0.000 0.219 120 A C 1.863 179.438 177.584 -0.016 0.000 1.164 120 A CA 1.210 53.237 52.037 -0.016 0.000 0.644 120 A CB -0.300 18.690 19.000 -0.015 0.000 0.805 120 A HN 0.189 nan 8.150 nan 0.000 0.449 121 L N -1.629 119.582 121.223 -0.020 0.000 2.640 121 L HA 0.273 4.613 4.340 0.000 0.000 0.230 121 L C 1.407 178.267 176.870 -0.017 0.000 1.123 121 L CA 0.362 55.191 54.840 -0.017 0.000 0.900 121 L CB 0.018 42.065 42.059 -0.020 0.000 1.146 121 L HN 0.504 nan 8.230 nan 0.000 0.484 122 G N 1.499 110.288 108.800 -0.018 0.000 2.246 122 G HA2 -0.267 3.694 3.960 0.000 0.000 0.273 122 G HA3 -0.267 3.694 3.960 0.000 0.000 0.273 122 G C -0.244 174.646 174.900 -0.017 0.000 1.055 122 G CA 0.202 45.292 45.100 -0.016 0.000 0.851 122 G HN 0.254 nan 8.290 nan 0.000 0.500 123 L N 0.055 121.262 121.223 -0.026 0.000 2.409 123 L HA 0.591 4.932 4.340 0.000 0.000 0.262 123 L C -2.075 174.766 176.870 -0.047 0.000 0.992 123 L CA -2.645 52.179 54.840 -0.026 0.000 0.817 123 L CB 2.901 44.946 42.059 -0.024 0.000 1.350 123 L HN -0.089 nan 8.230 nan 0.000 0.411 124 P HA 0.068 nan 4.420 nan 0.000 0.274 124 P C 0.817 178.016 177.300 -0.167 0.000 1.231 124 P CA -0.318 62.739 63.100 -0.072 0.000 0.790 124 P CB 1.450 33.199 31.700 0.082 0.000 0.951 125 V N 1.844 121.487 119.914 -0.452 0.000 2.380 125 V HA -0.270 3.850 4.120 0.000 0.000 0.251 125 V C 2.746 178.755 176.094 -0.142 0.000 1.063 125 V CA 2.895 64.972 62.300 -0.371 0.000 1.055 125 V CB -1.695 29.791 31.823 -0.562 0.000 0.657 125 V HN 0.747 nan 8.190 nan 0.000 0.455 126 S N 1.085 116.819 115.700 0.057 0.000 2.400 126 S HA -0.206 4.265 4.470 0.000 0.000 0.232 126 S C 2.049 176.683 174.600 0.057 0.000 1.025 126 S CA 1.470 59.764 58.200 0.157 0.000 0.993 126 S CB -0.541 62.811 63.200 0.252 0.000 0.808 126 S HN 0.614 nan 8.310 nan 0.000 0.478 127 A N 1.337 124.175 122.820 0.030 0.000 1.929 127 A HA 0.248 4.568 4.320 0.000 0.000 0.216 127 A C 2.126 179.707 177.584 -0.005 0.000 1.176 127 A CA 1.061 53.105 52.037 0.011 0.000 0.628 127 A CB -0.677 18.325 19.000 0.004 0.000 0.816 127 A HN 0.457 nan 8.150 nan 0.000 0.444 128 L N -0.388 120.820 121.223 -0.026 0.000 2.201 128 L HA -0.008 4.332 4.340 0.000 0.000 0.212 128 L C 1.750 178.609 176.870 -0.018 0.000 1.105 128 L CA 1.211 56.033 54.840 -0.030 0.000 0.775 128 L CB -0.462 41.565 42.059 -0.053 0.000 0.913 128 L HN 0.351 nan 8.230 nan 0.000 0.440 129 L N -1.252 119.965 121.223 -0.010 0.000 2.653 129 L HA 0.273 4.613 4.340 0.000 0.000 0.232 129 L C 1.371 178.251 176.870 0.015 0.000 1.169 129 L CA 0.549 55.391 54.840 0.003 0.000 0.951 129 L CB -0.572 41.493 42.059 0.010 0.000 1.181 129 L HN 0.454 nan 8.230 nan 0.000 0.460 130 G N -0.543 108.264 108.800 0.012 0.000 2.195 130 G HA2 -0.084 3.876 3.960 0.000 0.000 0.224 130 G HA3 -0.084 3.876 3.960 0.000 0.000 0.224 130 G C 0.516 175.427 174.900 0.018 0.000 0.990 130 G CA -0.268 44.841 45.100 0.015 0.000 0.639 130 G HN 0.844 nan 8.290 nan 0.000 0.514 131 G N -1.018 107.797 108.800 0.024 0.000 2.742 131 G HA2 0.540 4.500 3.960 0.000 0.000 0.686 131 G HA3 0.540 4.500 3.960 0.000 0.000 0.686 131 G C -0.105 174.815 174.900 0.033 0.000 1.220 131 G CA 0.793 45.909 45.100 0.026 0.000 0.783 131 G HN 2.119 nan 8.290 nan 0.000 0.646 132 A N 1.232 124.072 122.820 0.033 0.000 2.366 132 A HA 0.694 5.014 4.320 0.000 0.000 0.272 132 A C 1.288 178.886 177.584 0.022 0.000 1.135 132 A CA -0.228 51.828 52.037 0.031 0.000 0.804 132 A CB 0.722 19.736 19.000 0.023 0.000 1.064 132 A HN 1.306 nan 8.150 nan 0.000 0.499 133 L N 0.718 121.956 121.223 0.026 0.000 2.313 133 L HA 0.054 4.394 4.340 0.000 0.000 0.214 133 L C 1.220 178.097 176.870 0.011 0.000 1.119 133 L CA 1.599 56.450 54.840 0.019 0.000 0.809 133 L CB -0.888 41.185 42.059 0.023 0.000 0.933 133 L HN 0.889 nan 8.230 nan 0.000 0.449 134 Q N -3.257 116.549 119.800 0.010 0.000 2.479 134 Q HA 0.309 4.649 4.340 0.000 0.000 0.276 134 Q C -0.236 175.758 176.000 -0.011 0.000 0.989 134 Q CA 0.050 55.853 55.803 -0.000 0.000 0.864 134 Q CB 0.750 29.489 28.738 0.002 0.000 1.444 134 Q HN 0.022 nan 8.270 nan 0.000 0.388 135 T N -2.193 112.347 114.554 -0.022 0.000 3.069 135 T HA 0.583 4.934 4.350 0.000 0.000 0.252 135 T C 0.342 175.008 174.700 -0.057 0.000 1.053 135 T CA 0.380 62.454 62.100 -0.043 0.000 0.964 135 T CB 0.399 69.245 68.868 -0.036 0.000 1.005 135 T HN 0.702 nan 8.240 nan 0.000 0.532 136 A N 1.380 124.176 122.820 -0.040 0.000 2.359 136 A HA 0.771 5.091 4.320 0.000 0.000 0.303 136 A C -0.898 176.674 177.584 -0.020 0.000 1.066 136 A CA -0.805 51.206 52.037 -0.042 0.000 0.730 136 A CB 1.158 20.139 19.000 -0.032 0.000 1.211 136 A HN 0.445 nan 8.150 nan 0.000 0.439 137 L N 3.830 125.044 121.223 -0.016 0.000 2.346 137 L HA 0.559 4.899 4.340 0.000 0.000 0.274 137 L C -2.195 174.702 176.870 0.045 0.000 1.007 137 L CA -2.360 52.493 54.840 0.022 0.000 0.818 137 L CB 2.888 44.976 42.059 0.048 0.000 1.284 137 L HN 0.510 nan 8.230 nan 0.000 0.424 138 P HA 0.126 nan 4.420 nan 0.000 0.275 138 P C -1.100 176.272 177.300 0.120 0.000 1.227 138 P CA -0.177 62.967 63.100 0.073 0.000 0.781 138 P CB 1.614 33.345 31.700 0.052 0.000 0.906 139 V N 4.062 124.076 119.914 0.167 0.000 2.524 139 V HA 0.164 4.284 4.120 0.000 0.000 0.297 139 V C 0.550 176.794 176.094 0.249 0.000 1.035 139 V CA -0.769 61.684 62.300 0.254 0.000 0.867 139 V CB 1.351 33.411 31.823 0.396 0.000 1.004 139 V HN 0.447 nan 8.190 nan 0.000 0.426 140 L N 1.839 123.223 121.223 0.267 0.000 2.490 140 L HA 0.678 5.018 4.340 0.000 0.000 0.245 140 L C -0.327 176.721 176.870 0.296 0.000 1.185 140 L CA -0.384 54.581 54.840 0.207 0.000 0.813 140 L CB 0.506 42.684 42.059 0.199 0.000 1.233 140 L HN 0.731 nan 8.230 nan 0.000 0.489 141 W N -0.128 121.139 121.300 -0.056 0.000 2.785 141 W HA 0.515 5.175 4.660 0.000 0.000 0.333 141 W C -1.391 175.083 176.519 -0.076 0.000 1.062 141 W CA -0.648 56.576 57.345 -0.202 0.000 1.233 141 W CB 2.263 31.702 29.460 -0.035 0.000 1.413 141 W HN 0.559 nan 8.180 nan 0.000 0.489 142 T N 6.123 119.984 114.554 -1.155 0.000 2.799 142 T HA 0.420 4.770 4.350 0.000 0.000 0.286 142 T C -0.037 174.319 174.700 -0.573 0.000 0.973 142 T CA -0.331 61.396 62.100 -0.621 0.000 1.035 142 T CB 0.770 69.356 68.868 -0.471 0.000 0.932 142 T HN 0.204 nan 8.240 nan 0.000 0.469 143 L N 3.058 124.182 121.223 -0.164 0.000 2.262 143 L HA 0.653 4.994 4.340 0.000 0.000 0.288 143 L C 0.483 177.336 176.870 -0.028 0.000 1.035 143 L CA -0.675 54.127 54.840 -0.063 0.000 0.820 143 L CB 0.951 42.993 42.059 -0.028 0.000 1.204 143 L HN 0.790 nan 8.230 nan 0.000 0.424 144 A N 1.134 123.928 122.820 -0.042 0.000 2.958 144 A HA 0.191 4.511 4.320 0.000 0.000 0.214 144 A C 0.980 178.552 177.584 -0.020 0.000 0.902 144 A CA 0.060 52.081 52.037 -0.026 0.000 1.136 144 A CB 0.151 19.117 19.000 -0.056 0.000 1.250 144 A HN 0.666 nan 8.150 nan 0.000 0.497 145 S N -1.081 114.623 115.700 0.006 0.000 2.461 145 S HA 0.331 4.801 4.470 0.000 0.000 0.228 145 S C 1.628 176.220 174.600 -0.013 0.000 1.005 145 S CA 1.294 59.499 58.200 0.009 0.000 0.942 145 S CB -0.062 63.156 63.200 0.030 0.000 0.776 145 S HN 2.181 nan 8.310 nan 0.000 0.514 146 G N 0.667 109.441 108.800 -0.045 0.000 2.175 146 G HA2 -0.218 3.742 3.960 0.000 0.000 0.244 146 G HA3 -0.218 3.742 3.960 0.000 0.000 0.244 146 G C -0.310 174.537 174.900 -0.089 0.000 0.982 146 G CA 0.135 45.177 45.100 -0.097 0.000 0.641 146 G HN 0.789 nan 8.290 nan 0.000 0.527 147 D N -0.605 119.786 120.400 -0.016 0.000 2.549 147 D HA 0.637 5.277 4.640 0.000 0.000 0.251 147 D C 1.527 177.904 176.300 0.127 0.000 1.153 147 D CA 0.353 54.372 54.000 0.032 0.000 0.861 147 D CB 1.072 41.888 40.800 0.026 0.000 1.207 147 D HN -0.084 nan 8.370 nan 0.000 0.543 148 T N 2.287 116.961 114.554 0.201 0.000 2.635 148 T HA -0.193 4.157 4.350 0.000 0.000 0.267 148 T C 1.941 176.685 174.700 0.073 0.000 1.040 148 T CA 1.763 64.000 62.100 0.228 0.000 1.156 148 T CB -0.340 68.648 68.868 0.201 0.000 0.863 148 T HN 0.581 nan 8.240 nan 0.000 0.430 149 A N 1.435 124.285 122.820 0.050 0.000 1.908 149 A HA -0.177 4.143 4.320 0.000 0.000 0.218 149 A C 2.247 179.837 177.584 0.009 0.000 1.181 149 A CA 2.154 54.202 52.037 0.018 0.000 0.627 149 A CB -0.585 18.425 19.000 0.017 0.000 0.818 149 A HN 0.511 nan 8.150 nan 0.000 0.445 150 K N -0.755 119.659 120.400 0.023 0.000 2.057 150 K HA -0.168 4.152 4.320 0.000 0.000 0.206 150 K C 1.407 178.012 176.600 0.008 0.000 1.050 150 K CA 1.484 57.780 56.287 0.016 0.000 0.935 150 K CB -0.197 32.319 32.500 0.026 0.000 0.715 150 K HN 0.362 nan 8.250 nan 0.000 0.439 151 D N 0.992 121.406 120.400 0.024 0.000 2.104 151 D HA -0.176 4.464 4.640 0.000 0.000 0.194 151 D C 1.904 178.144 176.300 -0.099 0.000 0.994 151 D CA 1.227 55.221 54.000 -0.009 0.000 0.830 151 D CB -0.156 40.669 40.800 0.042 0.000 0.959 151 D HN 0.295 nan 8.370 nan 0.000 0.452 152 I N 0.928 121.442 120.570 -0.093 0.000 2.286 152 I HA -0.239 3.931 4.170 0.000 0.000 0.248 152 I C 2.419 178.474 176.117 -0.103 0.000 1.115 152 I CA 0.807 62.032 61.300 -0.125 0.000 1.392 152 I CB -0.178 37.771 38.000 -0.085 0.000 1.065 152 I HN -0.070 nan 8.210 nan 0.000 0.418 153 A N 0.572 123.355 122.820 -0.062 0.000 1.855 153 A HA -0.269 4.051 4.320 0.000 0.000 0.215 153 A C 2.316 179.867 177.584 -0.056 0.000 1.191 153 A CA 1.901 53.911 52.037 -0.045 0.000 0.613 153 A CB -0.724 18.262 19.000 -0.024 0.000 0.829 153 A HN 0.465 nan 8.150 nan 0.000 0.442 154 E N -0.558 119.611 120.200 -0.051 0.000 2.085 154 E HA -0.157 4.194 4.350 0.000 0.000 0.194 154 E C 1.977 178.524 176.600 -0.090 0.000 0.994 154 E CA 1.276 57.649 56.400 -0.045 0.000 0.801 154 E CB -0.429 29.286 29.700 0.024 0.000 0.743 154 E HN 0.518 nan 8.360 nan 0.000 0.453 155 G N 0.332 109.005 108.800 -0.212 0.000 2.394 155 G HA2 -0.275 3.685 3.960 0.000 0.000 0.215 155 G HA3 -0.275 3.685 3.960 0.000 0.000 0.215 155 G C 1.488 176.316 174.900 -0.120 0.000 1.165 155 G CA 0.745 45.580 45.100 -0.441 0.000 0.784 155 G HN 0.256 nan 8.290 nan 0.000 0.535 156 E N 0.768 120.910 120.200 -0.097 0.000 2.085 156 E HA -0.132 4.219 4.350 0.000 0.000 0.194 156 E C 2.297 178.902 176.600 0.008 0.000 0.994 156 E CA 1.387 57.774 56.400 -0.022 0.000 0.801 156 E CB -0.215 29.466 29.700 -0.032 0.000 0.743 156 E HN 0.502 nan 8.360 nan 0.000 0.453 157 K N -0.364 120.028 120.400 -0.013 0.000 2.097 157 K HA -0.137 4.183 4.320 0.000 0.000 0.205 157 K C 1.928 178.525 176.600 -0.004 0.000 1.050 157 K CA 1.103 57.381 56.287 -0.016 0.000 0.938 157 K CB -0.169 32.307 32.500 -0.040 0.000 0.718 157 K HN 0.202 nan 8.250 nan 0.000 0.442 158 L N 1.321 122.561 121.223 0.029 0.000 2.291 158 L HA 0.010 4.350 4.340 0.000 0.000 0.214 158 L C 1.769 178.697 176.870 0.097 0.000 1.120 158 L CA 1.145 56.017 54.840 0.055 0.000 0.799 158 L CB -0.062 42.085 42.059 0.146 0.000 0.925 158 L HN 0.211 nan 8.230 nan 0.000 0.446 159 L N -1.049 120.255 121.223 0.136 0.000 2.209 159 L HA 0.103 4.443 4.340 0.000 0.000 0.207 159 L C 1.709 178.610 176.870 0.052 0.000 1.094 159 L CA 0.285 55.192 54.840 0.112 0.000 0.790 159 L CB -0.665 41.480 42.059 0.143 0.000 0.932 159 L HN 0.245 nan 8.230 nan 0.000 0.447 166 A N 0.950 123.489 122.820 -0.469 0.000 2.465 166 A HA 0.768 5.088 4.320 0.000 0.000 0.292 166 A C -1.597 175.710 177.584 -0.462 0.000 1.041 166 A CA -0.553 51.318 52.037 -0.277 0.000 0.718 166 A CB 1.077 20.045 19.000 -0.053 0.000 1.266 166 A HN 0.177 nan 8.150 nan 0.000 0.403 167 F N 1.031 121.053 119.950 0.121 0.000 2.551 167 F HA 0.640 5.167 4.527 0.000 0.000 0.316 167 F C 0.249 176.094 175.800 0.075 0.000 1.089 167 F CA -0.585 57.478 58.000 0.104 0.000 0.915 167 F CB 2.620 41.672 39.000 0.087 0.000 1.186 167 F HN 0.561 nan 8.300 nan 0.000 0.456 168 K N 4.373 124.923 120.400 0.250 0.000 2.307 168 K HA 0.687 5.007 4.320 0.000 0.000 0.263 168 K C -1.742 174.909 176.600 0.085 0.000 0.973 168 K CA -0.426 55.944 56.287 0.138 0.000 0.846 168 K CB 0.920 33.504 32.500 0.139 0.000 1.100 168 K HN 0.710 nan 8.250 nan 0.000 0.438 169 L N 3.993 125.255 121.223 0.067 0.000 2.307 169 L HA 0.470 4.810 4.340 0.000 0.000 0.284 169 L C -0.053 176.837 176.870 0.034 0.000 1.023 169 L CA -1.218 53.657 54.840 0.060 0.000 0.810 169 L CB 1.369 43.474 42.059 0.076 0.000 1.231 169 L HN 0.434 nan 8.230 nan 0.000 0.423 170 K N 5.097 125.513 120.400 0.027 0.000 2.227 170 K HA 0.634 4.955 4.320 0.000 0.000 0.280 170 K C -0.364 176.231 176.600 -0.008 0.000 1.041 170 K CA -0.207 56.074 56.287 -0.010 0.000 0.905 170 K CB 1.786 34.273 32.500 -0.020 0.000 1.068 170 K HN 0.642 nan 8.250 nan 0.000 0.470 171 I N -3.306 117.233 120.570 -0.052 0.000 3.466 171 I HA 0.721 4.892 4.170 0.000 0.000 0.311 171 I C 0.663 176.705 176.117 -0.124 0.000 1.155 171 I CA -0.887 60.386 61.300 -0.045 0.000 0.959 171 I CB 2.078 40.091 38.000 0.021 0.000 1.332 171 I HN 0.573 nan 8.210 nan 0.000 0.483 172 G N 0.469 109.234 108.800 -0.058 0.000 2.179 172 G HA2 -0.161 3.799 3.960 0.000 0.000 0.220 172 G HA3 -0.161 3.799 3.960 0.000 0.000 0.220 172 G C 0.625 175.538 174.900 0.021 0.000 0.990 172 G CA 0.451 45.501 45.100 -0.083 0.000 0.646 172 G HN 1.340 nan 8.290 nan 0.000 0.517 173 A N -0.422 122.409 122.820 0.019 0.000 2.169 173 A HA 0.648 4.968 4.320 0.000 0.000 0.210 173 A C 1.451 179.056 177.584 0.035 0.000 1.168 173 A CA 1.206 53.254 52.037 0.018 0.000 0.813 173 A CB 0.181 19.178 19.000 -0.004 0.000 0.861 173 A HN 0.499 nan 8.150 nan 0.000 0.481 174 R N -0.329 120.205 120.500 0.056 0.000 3.006 174 R HA 0.454 4.795 4.340 0.000 0.000 0.235 174 R C -0.794 175.561 176.300 0.090 0.000 1.362 174 R CA -1.078 55.054 56.100 0.053 0.000 1.067 174 R CB 0.322 30.636 30.300 0.024 0.000 1.396 174 R HN 0.099 nan 8.270 nan 0.000 0.504 175 E N 1.455 121.692 120.200 0.061 0.000 2.413 175 E HA -0.076 4.274 4.350 0.000 0.000 0.263 175 E C 0.957 177.599 176.600 0.070 0.000 1.015 175 E CA 0.051 56.483 56.400 0.052 0.000 0.916 175 E CB 0.644 30.358 29.700 0.024 0.000 0.947 175 E HN 0.349 nan 8.360 nan 0.000 0.440 176 L N 3.954 125.196 121.223 0.031 0.000 1.997 176 L HA -0.287 4.053 4.340 0.000 0.000 0.216 176 L C 2.008 178.889 176.870 0.019 0.000 1.074 176 L CA 2.804 57.640 54.840 -0.007 0.000 0.763 176 L CB -0.977 40.960 42.059 -0.203 0.000 0.890 176 L HN 0.674 nan 8.230 nan 0.000 0.434 177 A N -1.265 121.554 122.820 -0.003 0.000 1.908 177 A HA -0.278 4.042 4.320 0.000 0.000 0.218 177 A C 2.388 179.998 177.584 0.043 0.000 1.181 177 A CA 2.898 54.941 52.037 0.010 0.000 0.627 177 A CB -1.480 17.519 19.000 -0.001 0.000 0.818 177 A HN 0.687 nan 8.150 nan 0.000 0.445 178 T N -2.494 112.090 114.554 0.050 0.000 2.777 178 T HA -0.160 4.190 4.350 0.000 0.000 0.266 178 T C 1.460 176.223 174.700 0.105 0.000 1.040 178 T CA 1.625 63.763 62.100 0.063 0.000 1.141 178 T CB -0.495 68.399 68.868 0.042 0.000 0.868 178 T HN 0.343 nan 8.240 nan 0.000 0.444 179 D N 1.269 121.746 120.400 0.128 0.000 2.144 179 D HA 0.054 4.694 4.640 0.000 0.000 0.200 179 D C 2.195 178.624 176.300 0.215 0.000 0.978 179 D CA 0.703 54.816 54.000 0.189 0.000 0.833 179 D CB -0.318 40.630 40.800 0.247 0.000 0.961 179 D HN 0.378 nan 8.370 nan 0.000 0.470 180 L N 0.270 121.592 121.223 0.164 0.000 2.046 180 L HA -0.119 4.221 4.340 0.000 0.000 0.208 180 L C 2.569 179.498 176.870 0.099 0.000 1.077 180 L CA 1.030 55.946 54.840 0.127 0.000 0.747 180 L CB -0.239 41.864 42.059 0.073 0.000 0.896 180 L HN -0.058 nan 8.230 nan 0.000 0.432 181 R N -1.026 119.529 120.500 0.093 0.000 2.081 181 R HA -0.218 4.122 4.340 0.000 0.000 0.235 181 R C 2.332 178.686 176.300 0.090 0.000 1.131 181 R CA 1.604 57.748 56.100 0.074 0.000 0.960 181 R CB -0.577 29.763 30.300 0.067 0.000 0.856 181 R HN 0.362 nan 8.270 nan 0.000 0.436 182 H N 0.545 119.635 119.070 0.033 0.000 2.290 182 H HA -0.129 4.427 4.556 0.000 0.000 0.298 182 H C 2.113 177.456 175.328 0.025 0.000 1.087 182 H CA 2.536 58.599 56.048 0.026 0.000 1.291 182 H CB -0.330 29.450 29.762 0.030 0.000 1.369 182 H HN 0.262 nan 8.280 nan 0.000 0.492 183 T N -1.567 112.969 114.554 -0.029 0.000 2.777 183 T HA -0.177 4.173 4.350 0.000 0.000 0.266 183 T C 2.217 176.878 174.700 -0.066 0.000 1.040 183 T CA 1.321 63.370 62.100 -0.084 0.000 1.141 183 T CB -0.389 68.510 68.868 0.050 0.000 0.868 183 T HN 0.371 nan 8.240 nan 0.000 0.444 184 R N 1.192 121.684 120.500 -0.015 0.000 2.091 184 R HA -0.007 4.333 4.340 0.000 0.000 0.238 184 R C 2.749 179.030 176.300 -0.032 0.000 1.136 184 R CA 1.452 57.547 56.100 -0.008 0.000 0.959 184 R CB -0.819 29.488 30.300 0.011 0.000 0.856 184 R HN 0.533 nan 8.270 nan 0.000 0.437 185 A N 0.991 123.779 122.820 -0.052 0.000 1.877 185 A HA -0.151 4.169 4.320 0.000 0.000 0.216 185 A C 2.145 179.675 177.584 -0.089 0.000 1.186 185 A CA 1.460 53.461 52.037 -0.060 0.000 0.620 185 A CB -0.478 18.489 19.000 -0.056 0.000 0.822 185 A HN 0.358 nan 8.150 nan 0.000 0.443 186 I N -0.538 119.938 120.570 -0.157 0.000 2.315 186 I HA -0.189 3.981 4.170 0.000 0.000 0.248 186 I C 2.299 178.370 176.117 -0.075 0.000 1.117 186 I CA 0.902 62.107 61.300 -0.158 0.000 1.404 186 I CB -0.245 37.605 38.000 -0.250 0.000 1.071 186 I HN 0.148 nan 8.210 nan 0.000 0.419 187 V N 0.776 120.663 119.914 -0.046 0.000 2.343 187 V HA -0.261 3.859 4.120 0.000 0.000 0.247 187 V C 2.324 178.421 176.094 0.005 0.000 1.051 187 V CA 1.882 64.182 62.300 -0.000 0.000 1.036 187 V CB -0.639 31.191 31.823 0.011 0.000 0.654 187 V HN 0.437 nan 8.190 nan 0.000 0.451 188 E N 0.279 120.475 120.200 -0.007 0.000 2.110 188 E HA -0.179 4.171 4.350 0.000 0.000 0.193 188 E C 2.267 178.866 176.600 -0.002 0.000 0.988 188 E CA 1.363 57.762 56.400 -0.001 0.000 0.804 188 E CB -0.289 29.408 29.700 -0.006 0.000 0.745 188 E HN 0.616 nan 8.360 nan 0.000 0.458 189 A N 0.290 123.101 122.820 -0.015 0.000 1.898 189 A HA -0.050 4.270 4.320 0.000 0.000 0.214 189 A C 1.851 179.436 177.584 0.001 0.000 1.183 189 A CA 0.968 52.996 52.037 -0.015 0.000 0.622 189 A CB 0.065 19.043 19.000 -0.037 0.000 0.824 189 A HN 0.088 nan 8.150 nan 0.000 0.444 190 L N -1.214 120.014 121.223 0.008 0.000 2.575 190 L HA 0.270 4.610 4.340 0.000 0.000 0.228 190 L C 2.411 179.342 176.870 0.102 0.000 1.075 190 L CA 0.937 55.815 54.840 0.063 0.000 0.867 190 L CB -0.877 41.216 42.059 0.057 0.000 1.097 190 L HN 0.309 nan 8.230 nan 0.000 0.485 191 G N -0.171 108.672 108.800 0.072 0.000 2.516 191 G HA2 -0.358 3.602 3.960 0.000 0.000 0.221 191 G HA3 -0.358 3.602 3.960 0.000 0.000 0.221 191 G C 1.272 176.211 174.900 0.065 0.000 1.107 191 G CA 1.215 46.360 45.100 0.075 0.000 0.747 191 G HN 0.434 nan 8.290 nan 0.000 0.567 192 D N 0.498 120.931 120.400 0.055 0.000 2.234 192 D HA -0.037 4.603 4.640 0.000 0.000 0.205 192 D C 2.334 178.662 176.300 0.048 0.000 0.962 192 D CA 0.693 54.719 54.000 0.044 0.000 0.855 192 D CB -0.012 40.808 40.800 0.034 0.000 0.951 192 D HN 0.519 nan 8.370 nan 0.000 0.500 193 R N -0.860 119.679 120.500 0.065 0.000 2.590 193 R HA 0.667 5.007 4.340 0.000 0.000 0.410 193 R C -0.536 175.806 176.300 0.070 0.000 1.010 193 R CA -0.400 55.736 56.100 0.060 0.000 1.155 193 R CB 0.860 31.195 30.300 0.058 0.000 1.455 193 R HN 0.025 nan 8.270 nan 0.000 0.567 194 A N 0.733 123.608 122.820 0.092 0.000 2.589 194 A HA 0.457 4.777 4.320 0.000 0.000 0.296 194 A C -1.006 176.637 177.584 0.099 0.000 1.062 194 A CA -0.602 51.484 52.037 0.083 0.000 0.686 194 A CB 1.923 21.015 19.000 0.154 0.000 1.282 194 A HN 0.112 nan 8.150 nan 0.000 0.404 195 S N 1.834 117.575 115.700 0.068 0.000 2.488 195 S HA 0.483 4.953 4.470 0.000 0.000 0.278 195 S C -0.100 174.585 174.600 0.143 0.000 1.259 195 S CA -0.261 58.001 58.200 0.103 0.000 1.061 195 S CB -0.437 62.827 63.200 0.107 0.000 0.910 195 S HN 0.453 nan 8.310 nan 0.000 0.491 196 I N 5.472 126.131 120.570 0.148 0.000 2.339 196 I HA 0.469 4.639 4.170 0.000 0.000 0.290 196 I C 0.206 176.391 176.117 0.113 0.000 0.994 196 I CA -0.507 60.885 61.300 0.155 0.000 1.191 196 I CB 1.277 39.352 38.000 0.126 0.000 1.343 196 I HN 0.650 nan 8.210 nan 0.000 0.458 197 R N 4.292 124.852 120.500 0.101 0.000 2.854 197 R HA 0.821 5.161 4.340 0.000 0.000 0.271 197 R C -0.676 175.635 176.300 0.018 0.000 0.996 197 R CA -0.783 55.335 56.100 0.029 0.000 0.961 197 R CB 2.289 32.581 30.300 -0.012 0.000 1.182 197 R HN 0.486 nan 8.270 nan 0.000 0.479 198 V N -2.151 117.745 119.914 -0.030 0.000 3.001 198 V HA 0.725 4.845 4.120 0.000 0.000 0.314 198 V C -1.240 174.799 176.094 -0.092 0.000 1.099 198 V CA -0.761 61.519 62.300 -0.034 0.000 0.989 198 V CB 2.331 34.143 31.823 -0.020 0.000 1.040 198 V HN 0.689 nan 8.190 nan 0.000 0.434 199 D N 1.446 121.786 120.400 -0.100 0.000 2.620 199 D HA 0.534 5.174 4.640 0.000 0.000 0.252 199 D C 0.225 176.405 176.300 -0.199 0.000 1.207 199 D CA -0.283 53.638 54.000 -0.132 0.000 0.884 199 D CB 2.140 42.898 40.800 -0.071 0.000 1.262 199 D HN 0.368 nan 8.370 nan 0.000 0.552 200 V N 3.132 122.858 119.914 -0.315 0.000 3.506 200 V HA 0.053 4.173 4.120 0.000 0.000 0.263 200 V C 1.010 176.916 176.094 -0.314 0.000 1.203 200 V CA 0.158 62.162 62.300 -0.494 0.000 1.133 200 V CB -1.267 29.998 31.823 -0.930 0.000 0.802 200 V HN 0.796 nan 8.190 nan 0.000 0.459 201 N N 1.527 120.113 118.700 -0.189 0.000 2.699 201 N HA -0.304 4.436 4.740 0.000 0.000 0.256 201 N C 0.677 176.121 175.510 -0.109 0.000 0.993 201 N CA 1.167 54.160 53.050 -0.096 0.000 0.759 201 N CB -1.083 37.401 38.487 -0.006 0.000 0.906 201 N HN 0.746 nan 8.380 nan 0.000 0.541 202 Q N -3.793 115.926 119.800 -0.135 0.000 2.324 202 Q HA -0.336 4.004 4.340 0.000 0.000 0.200 202 Q C 1.176 177.122 176.000 -0.090 0.000 0.645 202 Q CA 1.322 57.062 55.803 -0.106 0.000 1.377 202 Q CB -1.765 26.911 28.738 -0.104 0.000 1.486 202 Q HN 0.669 nan 8.270 nan 0.000 0.796 203 A N -0.057 122.672 122.820 -0.151 0.000 1.972 203 A HA -0.123 4.197 4.320 0.000 0.000 0.219 203 A C 0.425 178.075 177.584 0.110 0.000 1.169 203 A CA 0.972 52.960 52.037 -0.081 0.000 0.635 203 A CB -0.173 18.730 19.000 -0.160 0.000 0.810 203 A HN 0.393 nan 8.150 nan 0.000 0.446 204 W N 2.134 123.432 121.300 -0.004 0.000 2.315 204 W HA 0.350 5.011 4.660 0.000 0.000 0.316 204 W C 0.016 176.537 176.519 0.003 0.000 1.211 204 W CA -1.705 55.640 57.345 0.000 0.000 1.201 204 W CB 0.076 29.538 29.460 0.003 0.000 1.184 204 W HN 0.436 nan 8.180 nan 0.000 0.544 205 D N 0.582 121.119 120.400 0.229 0.000 2.398 205 D HA 0.235 4.875 4.640 0.000 0.000 0.247 205 D C 1.037 177.403 176.300 0.110 0.000 1.227 205 D CA -0.218 53.856 54.000 0.123 0.000 0.980 205 D CB 0.916 41.757 40.800 0.068 0.000 1.106 205 D HN 0.295 nan 8.370 nan 0.000 0.493 206 A N 0.748 123.612 122.820 0.073 0.000 1.908 206 A HA -0.086 4.235 4.320 0.000 0.000 0.218 206 A C 2.259 179.857 177.584 0.023 0.000 1.181 206 A CA 2.650 54.722 52.037 0.059 0.000 0.627 206 A CB -1.136 17.890 19.000 0.044 0.000 0.818 206 A HN 0.722 nan 8.150 nan 0.000 0.445 207 A N -1.314 121.503 122.820 -0.005 0.000 1.898 207 A HA -0.055 4.266 4.320 0.000 0.000 0.216 207 A C 2.303 179.826 177.584 -0.102 0.000 1.181 207 A CA 2.213 54.225 52.037 -0.041 0.000 0.620 207 A CB -1.215 17.761 19.000 -0.040 0.000 0.819 207 A HN 0.423 nan 8.150 nan 0.000 0.442 208 T N -0.257 114.212 114.554 -0.142 0.000 2.821 208 T HA -0.014 4.336 4.350 0.000 0.000 0.267 208 T C 1.928 176.346 174.700 -0.470 0.000 1.046 208 T CA 1.317 63.208 62.100 -0.348 0.000 1.139 208 T CB -0.506 68.115 68.868 -0.412 0.000 0.871 208 T HN 0.579 nan 8.240 nan 0.000 0.454 209 G N 1.130 109.856 108.800 -0.124 0.000 2.418 209 G HA2 -0.043 3.917 3.960 0.000 0.000 0.217 209 G HA3 -0.043 3.917 3.960 0.000 0.000 0.217 209 G C 1.820 176.733 174.900 0.022 0.000 1.158 209 G CA 0.886 46.058 45.100 0.120 0.000 0.771 209 G HN 0.564 nan 8.290 nan 0.000 0.545 210 A N 0.782 123.590 122.820 -0.020 0.000 1.858 210 A HA -0.037 4.283 4.320 0.000 0.000 0.216 210 A C 2.222 179.767 177.584 -0.065 0.000 1.190 210 A CA 2.199 54.225 52.037 -0.019 0.000 0.617 210 A CB -0.502 18.486 19.000 -0.019 0.000 0.827 210 A HN 0.393 nan 8.150 nan 0.000 0.443 211 K N -0.780 119.541 120.400 -0.131 0.000 2.026 211 K HA -0.112 4.209 4.320 0.000 0.000 0.208 211 K C 2.079 178.567 176.600 -0.186 0.000 1.048 211 K CA 1.523 57.720 56.287 -0.150 0.000 0.929 211 K CB -0.599 31.792 32.500 -0.182 0.000 0.713 211 K HN 0.379 nan 8.250 nan 0.000 0.439 212 G N 0.733 109.312 108.800 -0.369 0.000 2.433 212 G HA2 -0.276 3.685 3.960 0.000 0.000 0.216 212 G HA3 -0.276 3.685 3.960 0.000 0.000 0.216 212 G C 1.665 176.563 174.900 -0.003 0.000 1.186 212 G CA 1.074 45.931 45.100 -0.403 0.000 0.779 212 G HN 0.456 nan 8.290 nan 0.000 0.543 213 C N 0.012 119.374 119.300 0.103 0.000 2.425 213 C HA 0.054 4.514 4.460 0.000 0.000 0.277 213 C C 2.957 177.989 174.990 0.071 0.000 1.280 213 C CA 0.582 59.694 59.018 0.158 0.000 1.744 213 C CB -0.858 26.974 27.740 0.154 0.000 1.989 213 C HN 0.439 nan 8.230 nan 0.000 0.491 214 R N 0.565 121.080 120.500 0.025 0.000 2.073 214 R HA -0.104 4.236 4.340 0.000 0.000 0.234 214 R C 2.242 178.551 176.300 0.015 0.000 1.134 214 R CA 1.128 57.235 56.100 0.011 0.000 0.952 214 R CB -0.256 30.039 30.300 -0.009 0.000 0.850 214 R HN 0.574 nan 8.270 nan 0.000 0.433 215 E N 0.808 121.012 120.200 0.008 0.000 2.072 215 E HA -0.157 4.193 4.350 0.000 0.000 0.191 215 E C 2.166 178.790 176.600 0.041 0.000 0.985 215 E CA 0.933 57.342 56.400 0.014 0.000 0.801 215 E CB -0.163 29.537 29.700 -0.000 0.000 0.750 215 E HN 0.333 nan 8.360 nan 0.000 0.452 216 L N 0.499 121.764 121.223 0.070 0.000 2.046 216 L HA -0.179 4.161 4.340 0.000 0.000 0.208 216 L C 2.566 179.471 176.870 0.058 0.000 1.077 216 L CA 1.271 56.161 54.840 0.084 0.000 0.747 216 L CB -0.524 41.612 42.059 0.128 0.000 0.896 216 L HN 0.066 nan 8.230 nan 0.000 0.432 217 A N -0.099 122.750 122.820 0.050 0.000 1.898 217 A HA -0.131 4.189 4.320 0.000 0.000 0.216 217 A C 2.507 180.110 177.584 0.032 0.000 1.181 217 A CA 1.591 53.650 52.037 0.038 0.000 0.620 217 A CB -0.697 18.321 19.000 0.030 0.000 0.819 217 A HN 0.394 nan 8.150 nan 0.000 0.442 218 A N -0.965 121.872 122.820 0.027 0.000 2.019 218 A HA -0.094 4.226 4.320 0.000 0.000 0.219 218 A C 2.199 179.797 177.584 0.023 0.000 1.164 218 A CA 1.709 53.759 52.037 0.021 0.000 0.644 218 A CB -0.484 18.524 19.000 0.014 0.000 0.805 218 A HN 0.564 nan 8.150 nan 0.000 0.449 219 M N -1.670 117.948 119.600 0.029 0.000 2.394 219 M HA 0.076 4.556 4.480 0.000 0.000 0.264 219 M C 1.325 177.645 176.300 0.033 0.000 1.073 219 M CA 1.395 56.712 55.300 0.030 0.000 1.111 219 M CB 0.128 32.750 32.600 0.036 0.000 1.401 219 M HN 0.643 nan 8.290 nan 0.000 0.448 220 G N 0.033 108.855 108.800 0.037 0.000 2.148 220 G HA2 -0.169 3.791 3.960 0.000 0.000 0.203 220 G HA3 -0.169 3.791 3.960 0.000 0.000 0.203 220 G C -0.094 174.838 174.900 0.054 0.000 0.993 220 G CA -0.034 45.092 45.100 0.043 0.000 0.661 220 G HN 0.302 nan 8.290 nan 0.000 0.518 221 V N 1.585 121.531 119.914 0.053 0.000 2.585 221 V HA 0.177 4.297 4.120 0.000 0.000 0.296 221 V C 1.389 177.521 176.094 0.063 0.000 1.035 221 V CA 0.743 63.077 62.300 0.057 0.000 1.084 221 V CB 1.190 33.043 31.823 0.049 0.000 0.953 221 V HN 0.290 nan 8.190 nan 0.000 0.483 222 D N 2.889 123.343 120.400 0.091 0.000 2.234 222 D HA 0.098 4.739 4.640 0.000 0.000 0.205 222 D C 0.133 176.472 176.300 0.064 0.000 0.962 222 D CA 0.914 55.006 54.000 0.153 0.000 0.855 222 D CB 0.346 41.307 40.800 0.269 0.000 0.951 222 D HN 0.304 nan 8.370 nan 0.000 0.500 223 L N 0.217 121.398 121.223 -0.070 0.000 2.513 223 L HA 0.381 4.721 4.340 0.000 0.000 0.261 223 L C -1.801 174.947 176.870 -0.202 0.000 0.945 223 L CA -0.461 54.199 54.840 -0.300 0.000 0.848 223 L CB 2.154 43.849 42.059 -0.606 0.000 1.334 223 L HN -0.235 nan 8.230 nan 0.000 0.407 224 I N 3.625 124.079 120.570 -0.193 0.000 2.382 224 I HA 0.410 4.580 4.170 0.000 0.000 0.286 224 I C -0.287 175.736 176.117 -0.156 0.000 1.002 224 I CA -0.485 60.740 61.300 -0.124 0.000 1.135 224 I CB 1.739 39.716 38.000 -0.038 0.000 1.288 224 I HN 0.610 nan 8.210 nan 0.000 0.448 225 E N 5.685 125.781 120.200 -0.174 0.000 2.227 225 E HA 0.116 4.466 4.350 0.000 0.000 0.282 225 E C -0.185 176.333 176.600 -0.138 0.000 1.015 225 E CA -0.705 55.594 56.400 -0.168 0.000 0.823 225 E CB 0.857 30.449 29.700 -0.181 0.000 1.081 225 E HN 0.458 nan 8.360 nan 0.000 0.396 226 Q N 3.981 123.721 119.800 -0.101 0.000 2.417 226 Q HA -0.174 4.166 4.340 0.000 0.000 0.368 226 Q C -1.945 173.985 176.000 -0.117 0.000 1.359 226 Q CA 0.651 56.400 55.803 -0.090 0.000 1.122 226 Q CB -0.247 28.435 28.738 -0.094 0.000 1.295 226 Q HN 0.490 nan 8.270 nan 0.000 0.337 227 P HA -0.117 nan 4.420 nan 0.000 0.217 227 P C 0.508 177.801 177.300 -0.011 0.000 1.150 227 P CA 1.657 64.697 63.100 -0.101 0.000 0.832 227 P CB 0.052 31.808 31.700 0.094 0.000 0.787 228 V N -3.778 116.159 119.914 0.039 0.000 3.166 228 V HA 0.616 4.736 4.120 0.000 0.000 0.317 228 V C 0.413 176.508 176.094 0.001 0.000 1.136 228 V CA -1.280 61.059 62.300 0.065 0.000 1.035 228 V CB 0.934 32.816 31.823 0.099 0.000 1.110 228 V HN -0.018 nan 8.190 nan 0.000 0.450 229 S N 0.458 116.163 115.700 0.008 0.000 2.568 229 S HA 0.395 4.866 4.470 0.000 0.000 0.282 229 S C 1.324 175.886 174.600 -0.063 0.000 1.338 229 S CA 0.125 58.295 58.200 -0.049 0.000 1.045 229 S CB 0.844 64.036 63.200 -0.013 0.000 0.873 229 S HN 1.728 nan 8.310 nan 0.000 0.516 230 A N 3.268 125.999 122.820 -0.148 0.000 2.209 230 A HA 0.044 4.364 4.320 0.000 0.000 0.212 230 A C 1.450 179.011 177.584 -0.038 0.000 1.158 230 A CA 1.020 52.987 52.037 -0.117 0.000 0.742 230 A CB -0.821 18.088 19.000 -0.151 0.000 0.790 230 A HN 1.017 nan 8.150 nan 0.000 0.472 231 H N -1.874 117.185 119.070 -0.017 0.000 2.548 231 H HA 0.034 4.590 4.556 0.000 0.000 0.268 231 H C -0.023 175.302 175.328 -0.005 0.000 0.975 231 H CA 0.462 56.502 56.048 -0.012 0.000 1.195 231 H CB 0.473 30.229 29.762 -0.009 0.000 1.397 231 H HN 0.325 nan 8.280 nan 0.000 0.572 232 D N -0.465 119.999 120.400 0.106 0.000 2.739 232 D HA 0.063 4.703 4.640 0.000 0.000 0.335 232 D C 0.091 176.418 176.300 0.045 0.000 1.216 232 D CA -0.154 53.888 54.000 0.070 0.000 0.808 232 D CB -0.426 40.418 40.800 0.072 0.000 1.121 232 D HN 0.239 nan 8.370 nan 0.000 0.499 233 N N -0.010 118.708 118.700 0.029 0.000 2.364 233 N HA -0.153 4.588 4.740 0.000 0.000 0.183 233 N C 1.724 177.259 175.510 0.043 0.000 1.022 233 N CA 0.778 53.836 53.050 0.013 0.000 0.883 233 N CB 0.402 38.882 38.487 -0.012 0.000 0.965 233 N HN 0.270 nan 8.380 nan 0.000 0.438 234 A N 1.273 124.120 122.820 0.045 0.000 1.902 234 A HA -0.042 4.278 4.320 0.000 0.000 0.217 234 A C 2.339 179.960 177.584 0.062 0.000 1.181 234 A CA 1.647 53.714 52.037 0.051 0.000 0.623 234 A CB -0.649 18.374 19.000 0.039 0.000 0.818 234 A HN 0.341 nan 8.150 nan 0.000 0.443 235 A N -0.667 122.191 122.820 0.062 0.000 1.930 235 A HA 0.029 4.349 4.320 0.000 0.000 0.217 235 A C 2.112 179.751 177.584 0.092 0.000 1.175 235 A CA 1.583 53.661 52.037 0.069 0.000 0.627 235 A CB -0.580 18.462 19.000 0.069 0.000 0.815 235 A HN 0.606 nan 8.150 nan 0.000 0.443 236 L N -0.028 121.255 121.223 0.100 0.000 2.012 236 L HA -0.133 4.207 4.340 0.000 0.000 0.210 236 L C 2.418 179.431 176.870 0.239 0.000 1.073 236 L CA 1.918 56.848 54.840 0.151 0.000 0.748 236 L CB -0.478 41.639 42.059 0.096 0.000 0.891 236 L HN 0.165 nan 8.230 nan 0.000 0.431 237 V N -0.052 119.994 119.914 0.221 0.000 2.295 237 V HA -0.320 3.800 4.120 0.000 0.000 0.246 237 V C 2.758 178.920 176.094 0.113 0.000 1.049 237 V CA 2.200 64.638 62.300 0.229 0.000 1.024 237 V CB -0.762 31.158 31.823 0.161 0.000 0.648 237 V HN 0.545 nan 8.190 nan 0.000 0.447 238 R N -0.191 120.359 120.500 0.084 0.000 2.083 238 R HA -0.174 4.166 4.340 0.000 0.000 0.237 238 R C 2.303 178.628 176.300 0.042 0.000 1.137 238 R CA 1.830 57.960 56.100 0.050 0.000 0.951 238 R CB -0.356 29.971 30.300 0.045 0.000 0.851 238 R HN 0.456 nan 8.270 nan 0.000 0.434 239 L N 0.693 121.954 121.223 0.063 0.000 2.046 239 L HA -0.176 4.164 4.340 0.000 0.000 0.208 239 L C 2.704 179.587 176.870 0.021 0.000 1.077 239 L CA 1.653 56.526 54.840 0.055 0.000 0.747 239 L CB -0.520 41.592 42.059 0.088 0.000 0.896 239 L HN 0.393 nan 8.230 nan 0.000 0.432 240 S N -0.702 115.004 115.700 0.010 0.000 2.419 240 S HA -0.235 4.235 4.470 0.000 0.000 0.233 240 S C 1.757 176.282 174.600 -0.124 0.000 1.016 240 S CA 1.070 59.194 58.200 -0.126 0.000 0.974 240 S CB -0.302 62.670 63.200 -0.379 0.000 0.786 240 S HN 0.546 nan 8.310 nan 0.000 0.492 241 Q N 0.101 119.861 119.800 -0.066 0.000 2.402 241 Q HA 0.149 4.490 4.340 0.000 0.000 0.206 241 Q C 2.023 178.005 176.000 -0.031 0.000 0.919 241 Q CA 0.555 56.326 55.803 -0.053 0.000 0.923 241 Q CB 0.019 28.738 28.738 -0.033 0.000 1.048 241 Q HN 0.743 nan 8.270 nan 0.000 0.515 242 Q N -0.231 119.559 119.800 -0.017 0.000 2.390 242 Q HA 0.122 4.463 4.340 0.000 0.000 0.216 242 Q C 0.334 176.330 176.000 -0.006 0.000 0.916 242 Q CA 0.010 55.809 55.803 -0.008 0.000 0.911 242 Q CB 0.939 29.678 28.738 0.002 0.000 1.035 242 Q HN 0.170 nan 8.270 nan 0.000 0.541 243 I N 2.640 123.207 120.570 -0.005 0.000 2.556 243 I HA -0.031 4.139 4.170 0.000 0.000 0.284 243 I C 0.569 176.683 176.117 -0.006 0.000 1.114 243 I CA 0.564 61.865 61.300 0.002 0.000 1.418 243 I CB 0.531 38.539 38.000 0.014 0.000 1.394 243 I HN 0.239 nan 8.210 nan 0.000 0.552 244 E N 3.792 123.994 120.200 0.003 0.000 2.545 244 E HA 0.129 4.480 4.350 0.000 0.000 0.271 244 E C 0.101 176.709 176.600 0.013 0.000 1.508 244 E CA 0.005 56.408 56.400 0.005 0.000 1.774 244 E CB 0.238 29.943 29.700 0.008 0.000 1.460 244 E HN 0.587 nan 8.360 nan 0.000 0.449 245 T N -0.767 113.791 114.554 0.007 0.000 2.749 245 T HA 0.449 4.799 4.350 0.000 0.000 0.310 245 T C -1.488 173.202 174.700 -0.017 0.000 1.496 245 T CA -0.517 61.592 62.100 0.016 0.000 1.006 245 T CB 1.210 70.091 68.868 0.022 0.000 1.457 245 T HN 0.141 nan 8.240 nan 0.000 0.497 246 A N 2.508 125.314 122.820 -0.024 0.000 2.425 246 A HA 0.620 4.940 4.320 0.000 0.000 0.249 246 A C -0.191 177.270 177.584 -0.205 0.000 1.084 246 A CA -0.237 51.727 52.037 -0.121 0.000 0.781 246 A CB -0.120 18.781 19.000 -0.166 0.000 1.019 246 A HN 0.606 nan 8.150 nan 0.000 0.490 247 I N 2.354 122.812 120.570 -0.187 0.000 2.404 247 I HA 0.331 4.501 4.170 0.000 0.000 0.293 247 I C -0.250 175.841 176.117 -0.043 0.000 0.992 247 I CA -0.379 60.867 61.300 -0.090 0.000 1.149 247 I CB 1.276 39.296 38.000 0.034 0.000 1.315 247 I HN 0.556 nan 8.210 nan 0.000 0.446 248 L N 5.277 126.437 121.223 -0.106 0.000 2.287 248 L HA 0.630 4.970 4.340 0.000 0.000 0.287 248 L C 0.059 176.921 176.870 -0.014 0.000 1.022 248 L CA -0.555 54.208 54.840 -0.127 0.000 0.814 248 L CB 1.654 43.488 42.059 -0.375 0.000 1.217 248 L HN 0.749 nan 8.230 nan 0.000 0.420 249 A N 3.161 126.005 122.820 0.040 0.000 2.301 249 A HA 0.367 4.687 4.320 0.000 0.000 0.298 249 A C -0.299 177.214 177.584 -0.118 0.000 1.185 249 A CA -0.408 51.546 52.037 -0.139 0.000 0.830 249 A CB 1.122 19.865 19.000 -0.429 0.000 1.112 249 A HN 0.828 nan 8.150 nan 0.000 0.508 250 D N 0.882 121.208 120.400 -0.122 0.000 3.040 250 D HA 0.050 4.690 4.640 0.000 0.000 0.221 250 D C 1.255 177.499 176.300 -0.093 0.000 1.515 250 D CA 0.369 54.323 54.000 -0.077 0.000 1.379 250 D CB -0.130 40.649 40.800 -0.035 0.000 0.992 250 D HN 0.384 nan 8.370 nan 0.000 0.234 251 E N 0.356 120.512 120.200 -0.073 0.000 2.209 251 E HA 0.007 4.358 4.350 0.000 0.000 0.196 251 E C 1.726 178.263 176.600 -0.105 0.000 0.993 251 E CA 1.143 57.503 56.400 -0.066 0.000 0.819 251 E CB -0.368 29.294 29.700 -0.064 0.000 0.745 251 E HN 0.358 nan 8.360 nan 0.000 0.477 252 A N 0.055 122.783 122.820 -0.153 0.000 2.121 252 A HA 0.017 4.337 4.320 0.000 0.000 0.218 252 A C 0.906 178.346 177.584 -0.239 0.000 1.154 252 A CA 0.598 52.522 52.037 -0.187 0.000 0.679 252 A CB 0.360 19.219 19.000 -0.236 0.000 0.795 252 A HN 0.119 nan 8.150 nan 0.000 0.458 253 V N -1.397 118.349 119.914 -0.279 0.000 2.524 253 V HA 0.659 4.779 4.120 0.000 0.000 0.297 253 V C 0.261 176.234 176.094 -0.202 0.000 1.035 253 V CA 0.033 62.129 62.300 -0.341 0.000 0.867 253 V CB 1.334 32.704 31.823 -0.756 0.000 1.004 253 V HN 0.388 nan 8.190 nan 0.000 0.426 254 A N 4.816 127.571 122.820 -0.107 0.000 1.995 254 A HA 0.491 4.811 4.320 0.000 0.000 0.200 254 A C 1.051 178.631 177.584 -0.006 0.000 1.566 254 A CA 0.950 52.969 52.037 -0.031 0.000 0.895 254 A CB 0.101 19.114 19.000 0.022 0.000 1.046 254 A HN 1.055 nan 8.150 nan 0.000 0.523 255 T N -4.163 110.402 114.554 0.020 0.000 2.937 255 T HA 0.640 4.990 4.350 0.000 0.000 0.283 255 T C 1.147 175.857 174.700 0.018 0.000 1.012 255 T CA 0.087 62.216 62.100 0.048 0.000 0.997 255 T CB 1.496 70.457 68.868 0.155 0.000 1.136 255 T HN 0.704 nan 8.240 nan 0.000 0.551 256 A N -0.221 122.569 122.820 -0.050 0.000 1.978 256 A HA 0.011 4.331 4.320 0.000 0.000 0.220 256 A C 1.944 179.510 177.584 -0.031 0.000 1.170 256 A CA 1.244 53.234 52.037 -0.078 0.000 0.636 256 A CB -1.429 17.451 19.000 -0.200 0.000 0.810 256 A HN 0.898 nan 8.150 nan 0.000 0.448 257 Y N 0.494 120.840 120.300 0.076 0.000 2.163 257 Y HA -0.208 4.342 4.550 0.000 0.000 0.288 257 Y C 2.370 178.335 175.900 0.108 0.000 1.136 257 Y CA 1.234 59.395 58.100 0.101 0.000 1.147 257 Y CB -0.242 38.255 38.460 0.061 0.000 0.987 257 Y HN 0.286 nan 8.280 nan 0.000 0.509 258 D N -0.440 120.079 120.400 0.198 0.000 2.117 258 D HA -0.155 4.485 4.640 0.000 0.000 0.197 258 D C 2.370 178.667 176.300 -0.005 0.000 0.987 258 D CA 1.487 55.521 54.000 0.057 0.000 0.829 258 D CB -0.895 39.883 40.800 -0.036 0.000 0.961 258 D HN 0.454 nan 8.370 nan 0.000 0.460 259 G N -0.025 108.772 108.800 -0.006 0.000 2.440 259 G HA2 -0.324 3.636 3.960 0.000 0.000 0.218 259 G HA3 -0.324 3.636 3.960 0.000 0.000 0.218 259 G C 1.602 176.645 174.900 0.238 0.000 1.154 259 G CA 0.864 45.997 45.100 0.056 0.000 0.767 259 G HN 0.322 nan 8.290 nan 0.000 0.552 260 Y N 1.119 121.497 120.300 0.130 0.000 2.163 260 Y HA -0.083 4.467 4.550 0.000 0.000 0.288 260 Y C 3.018 178.993 175.900 0.125 0.000 1.136 260 Y CA 2.117 60.295 58.100 0.129 0.000 1.147 260 Y CB -0.379 38.141 38.460 0.100 0.000 0.987 260 Y HN 0.294 nan 8.280 nan 0.000 0.509 261 Q N 0.135 119.903 119.800 -0.054 0.000 2.061 261 Q HA -0.232 4.108 4.340 0.000 0.000 0.204 261 Q C 2.431 178.361 176.000 -0.117 0.000 0.984 261 Q CA 2.033 57.764 55.803 -0.119 0.000 0.846 261 Q CB -0.410 28.356 28.738 0.048 0.000 0.902 261 Q HN 0.538 nan 8.270 nan 0.000 0.421 262 L N 0.055 121.254 121.223 -0.039 0.000 2.017 262 L HA -0.225 4.115 4.340 0.000 0.000 0.208 262 L C 2.388 179.321 176.870 0.105 0.000 1.073 262 L CA 1.264 56.111 54.840 0.012 0.000 0.745 262 L CB -0.546 41.477 42.059 -0.060 0.000 0.894 262 L HN 0.266 nan 8.230 nan 0.000 0.432 263 A N -0.855 122.039 122.820 0.123 0.000 1.883 263 A HA -0.301 4.019 4.320 0.000 0.000 0.217 263 A C 2.176 179.739 177.584 -0.035 0.000 1.186 263 A CA 1.869 53.968 52.037 0.105 0.000 0.624 263 A CB -0.781 18.268 19.000 0.082 0.000 0.822 263 A HN 0.544 nan 8.150 nan 0.000 0.444 264 Q N -0.291 119.368 119.800 -0.234 0.000 2.135 264 Q HA -0.269 4.071 4.340 0.000 0.000 0.204 264 Q C 2.035 177.982 176.000 -0.088 0.000 0.981 264 Q CA 2.224 57.881 55.803 -0.243 0.000 0.856 264 Q CB -0.300 28.138 28.738 -0.500 0.000 0.902 264 Q HN 0.818 nan 8.270 nan 0.000 0.425 265 Q N -1.270 118.500 119.800 -0.050 0.000 2.364 265 Q HA -0.061 4.280 4.340 0.000 0.000 0.207 265 Q C 0.550 176.574 176.000 0.041 0.000 0.970 265 Q CA 0.956 56.764 55.803 0.008 0.000 0.888 265 Q CB 0.049 28.803 28.738 0.028 0.000 0.951 265 Q HN 0.660 nan 8.270 nan 0.000 0.469 266 G N -0.245 108.587 108.800 0.053 0.000 2.175 266 G HA2 -0.262 3.698 3.960 0.000 0.000 0.182 266 G HA3 -0.262 3.698 3.960 0.000 0.000 0.182 266 G C -0.285 174.659 174.900 0.073 0.000 1.003 266 G CA -0.188 44.940 45.100 0.048 0.000 0.666 266 G HN 0.350 nan 8.290 nan 0.000 0.506 267 F N 2.487 122.441 119.950 0.006 0.000 2.538 267 F HA 0.583 5.110 4.527 0.000 0.000 0.371 267 F C 0.550 176.350 175.800 -0.001 0.000 1.087 267 F CA 1.024 59.038 58.000 0.024 0.000 1.250 267 F CB 1.334 40.382 39.000 0.080 0.000 1.110 267 F HN 0.088 nan 8.300 nan 0.000 0.570 268 T N 4.499 118.519 114.554 -0.891 0.000 2.848 268 T HA 0.725 5.075 4.350 0.000 0.000 0.285 268 T C -0.185 173.954 174.700 -0.936 0.000 0.995 268 T CA 0.272 61.985 62.100 -0.645 0.000 0.970 268 T CB 0.882 69.561 68.868 -0.315 0.000 0.976 268 T HN 1.223 nan 8.240 nan 0.000 0.441 269 G N 2.712 111.199 108.800 -0.521 0.000 2.350 269 G HA2 0.519 4.479 3.960 0.000 0.000 0.085 269 G HA3 0.519 4.479 3.960 0.000 0.000 0.085 269 G C -0.958 173.920 174.900 -0.037 0.000 1.159 269 G CA 0.096 45.022 45.100 -0.291 0.000 1.146 269 G HN 1.370 nan 8.290 nan 0.000 0.449 270 A N -1.356 121.515 122.820 0.086 0.000 2.527 270 A HA 0.827 5.147 4.320 0.000 0.000 0.293 270 A C -1.888 175.851 177.584 0.257 0.000 1.117 270 A CA -0.526 51.558 52.037 0.078 0.000 0.723 270 A CB 1.486 20.427 19.000 -0.097 0.000 1.313 270 A HN 1.109 nan 8.150 nan 0.000 0.411 271 Y N -0.035 120.315 120.300 0.083 0.000 2.377 271 Y HA 0.618 5.168 4.550 0.000 0.000 0.339 271 Y C 0.618 176.534 175.900 0.028 0.000 1.011 271 Y CA -1.465 56.647 58.100 0.019 0.000 1.093 271 Y CB 1.882 40.354 38.460 0.019 0.000 1.201 271 Y HN 0.811 nan 8.280 nan 0.000 0.455 272 A N 5.566 128.488 122.820 0.169 0.000 2.527 272 A HA 0.465 4.785 4.320 0.000 0.000 0.313 272 A C -0.246 177.382 177.584 0.074 0.000 1.410 272 A CA -0.472 51.678 52.037 0.190 0.000 1.060 272 A CB -0.983 18.121 19.000 0.174 0.000 1.137 272 A HN 0.765 nan 8.150 nan 0.000 0.542 273 L N 2.308 123.515 121.223 -0.026 0.000 2.453 273 L HA 0.262 4.602 4.340 0.000 0.000 0.272 273 L C 0.352 177.285 176.870 0.106 0.000 1.182 273 L CA 0.459 55.279 54.840 -0.032 0.000 0.858 273 L CB 0.459 42.368 42.059 -0.249 0.000 1.120 273 L HN 0.592 nan 8.230 nan 0.000 0.474 274 K N 3.650 124.194 120.400 0.241 0.000 2.553 274 K HA 0.257 4.577 4.320 0.000 0.000 0.250 274 K C 0.807 177.480 176.600 0.122 0.000 0.953 274 K CA -0.563 55.865 56.287 0.235 0.000 0.800 274 K CB 2.399 34.934 32.500 0.058 0.000 1.243 274 K HN 0.568 nan 8.250 nan 0.000 0.435 275 I N -0.491 120.100 120.570 0.036 0.000 2.361 275 I HA -0.201 3.969 4.170 0.000 0.000 0.251 275 I C 1.848 177.852 176.117 -0.188 0.000 1.133 275 I CA 1.574 62.815 61.300 -0.098 0.000 1.413 275 I CB -0.226 37.650 38.000 -0.205 0.000 1.073 275 I HN 0.585 nan 8.210 nan 0.000 0.424 276 A N 1.769 124.383 122.820 -0.344 0.000 1.933 276 A HA -0.155 4.165 4.320 0.000 0.000 0.218 276 A C 2.387 179.603 177.584 -0.614 0.000 1.175 276 A CA 1.734 53.319 52.037 -0.753 0.000 0.628 276 A CB -0.495 17.647 19.000 -1.429 0.000 0.814 276 A HN 0.517 nan 8.150 nan 0.000 0.444 277 K N -0.681 119.544 120.400 -0.292 0.000 2.167 277 K HA 0.100 4.420 4.320 0.000 0.000 0.203 277 K C 2.062 178.661 176.600 -0.002 0.000 1.052 277 K CA 0.931 57.188 56.287 -0.050 0.000 0.956 277 K CB -0.127 32.377 32.500 0.007 0.000 0.735 277 K HN 0.429 nan 8.250 nan 0.000 0.451 278 A N 0.129 122.937 122.820 -0.020 0.000 2.044 278 A HA 0.218 4.538 4.320 0.000 0.000 0.213 278 A C 1.398 178.986 177.584 0.007 0.000 1.169 278 A CA 1.017 53.061 52.037 0.012 0.000 0.724 278 A CB 0.168 19.186 19.000 0.029 0.000 0.840 278 A HN 0.371 nan 8.150 nan 0.000 0.463 279 G N -2.799 105.986 108.800 -0.026 0.000 2.148 279 G HA2 0.433 4.393 3.960 0.000 0.000 0.157 279 G HA3 0.433 4.393 3.960 0.000 0.000 0.157 279 G C 0.870 175.750 174.900 -0.033 0.000 1.012 279 G CA 0.214 45.306 45.100 -0.014 0.000 0.677 279 G HN 2.277 nan 8.290 nan 0.000 0.506 280 G N -1.547 107.215 108.800 -0.062 0.000 2.347 280 G HA2 0.445 4.405 3.960 0.000 0.000 0.477 280 G HA3 0.445 4.405 3.960 0.000 0.000 0.477 280 G C -1.704 173.141 174.900 -0.090 0.000 1.349 280 G CA 0.200 45.254 45.100 -0.077 0.000 1.000 280 G HN 0.240 nan 8.290 nan 0.000 0.605 281 P HA -0.065 nan 4.420 nan 0.000 0.218 281 P C 1.438 178.693 177.300 -0.075 0.000 1.148 281 P CA 1.563 64.574 63.100 -0.148 0.000 0.822 281 P CB 0.162 31.771 31.700 -0.151 0.000 0.784 282 N N -1.427 117.244 118.700 -0.048 0.000 2.278 282 N HA -0.054 4.686 4.740 0.000 0.000 0.181 282 N C 1.625 177.133 175.510 -0.003 0.000 1.023 282 N CA 0.682 53.720 53.050 -0.020 0.000 0.862 282 N CB -0.006 38.468 38.487 -0.022 0.000 1.003 282 N HN -0.087 nan 8.380 nan 0.000 0.431 283 S N 0.590 116.285 115.700 -0.009 0.000 2.387 283 S HA -0.118 4.352 4.470 0.000 0.000 0.230 283 S C 1.904 176.516 174.600 0.019 0.000 1.035 283 S CA 0.774 58.974 58.200 -0.000 0.000 1.014 283 S CB -0.390 62.809 63.200 -0.001 0.000 0.836 283 S HN 0.268 nan 8.310 nan 0.000 0.466 284 V N 2.156 122.093 119.914 0.039 0.000 2.594 284 V HA -0.081 4.039 4.120 0.000 0.000 0.253 284 V C 1.718 177.888 176.094 0.127 0.000 1.069 284 V CA 1.279 63.641 62.300 0.103 0.000 1.082 284 V CB -0.515 31.418 31.823 0.183 0.000 0.680 284 V HN 0.480 nan 8.190 nan 0.000 0.469 285 L N 0.008 121.290 121.223 0.097 0.000 2.191 285 L HA -0.093 4.247 4.340 0.000 0.000 0.212 285 L C 2.750 179.660 176.870 0.067 0.000 1.103 285 L CA 1.374 56.272 54.840 0.096 0.000 0.769 285 L CB -0.954 41.146 42.059 0.068 0.000 0.908 285 L HN 0.419 nan 8.230 nan 0.000 0.438 286 A N 0.228 123.069 122.820 0.035 0.000 1.902 286 A HA -0.187 4.134 4.320 0.000 0.000 0.217 286 A C 2.331 179.933 177.584 0.030 0.000 1.181 286 A CA 1.329 53.370 52.037 0.006 0.000 0.623 286 A CB -0.605 18.368 19.000 -0.046 0.000 0.818 286 A HN 0.369 nan 8.150 nan 0.000 0.443 287 L N -0.769 120.485 121.223 0.052 0.000 2.046 287 L HA -0.178 4.162 4.340 0.000 0.000 0.208 287 L C 2.953 179.911 176.870 0.147 0.000 1.077 287 L CA 1.434 56.333 54.840 0.097 0.000 0.747 287 L CB -0.530 41.586 42.059 0.095 0.000 0.896 287 L HN 0.448 nan 8.230 nan 0.000 0.432 288 A N -0.124 122.776 122.820 0.133 0.000 1.908 288 A HA -0.232 4.088 4.320 0.000 0.000 0.218 288 A C 2.171 179.813 177.584 0.096 0.000 1.181 288 A CA 1.428 53.540 52.037 0.125 0.000 0.627 288 A CB -0.455 18.621 19.000 0.127 0.000 0.818 288 A HN 0.360 nan 8.150 nan 0.000 0.445 289 R N -0.492 120.056 120.500 0.080 0.000 2.115 289 R HA -0.030 4.310 4.340 0.000 0.000 0.230 289 R C 2.097 178.439 176.300 0.070 0.000 1.111 289 R CA 1.239 57.376 56.100 0.061 0.000 0.976 289 R CB -1.460 28.866 30.300 0.044 0.000 0.870 289 R HN 0.438 nan 8.270 nan 0.000 0.445 290 V N 1.388 121.358 119.914 0.093 0.000 2.295 290 V HA -0.229 3.891 4.120 0.000 0.000 0.246 290 V C 2.540 178.709 176.094 0.125 0.000 1.049 290 V CA 1.889 64.266 62.300 0.129 0.000 1.024 290 V CB -0.915 31.014 31.823 0.177 0.000 0.648 290 V HN 0.310 nan 8.190 nan 0.000 0.447 291 A N -0.718 122.177 122.820 0.125 0.000 1.873 291 A HA -0.338 3.983 4.320 0.000 0.000 0.218 291 A C 2.161 179.736 177.584 -0.014 0.000 1.193 291 A CA 2.302 54.341 52.037 0.003 0.000 0.629 291 A CB -0.612 18.378 19.000 -0.017 0.000 0.826 291 A HN 0.644 nan 8.150 nan 0.000 0.447 292 Q N -0.832 118.981 119.800 0.021 0.000 2.061 292 Q HA -0.150 4.191 4.340 0.000 0.000 0.204 292 Q C 2.432 178.444 176.000 0.021 0.000 0.984 292 Q CA 1.496 57.309 55.803 0.017 0.000 0.846 292 Q CB -0.431 28.324 28.738 0.028 0.000 0.902 292 Q HN 0.698 nan 8.270 nan 0.000 0.421 293 A N 0.952 123.795 122.820 0.039 0.000 1.972 293 A HA -0.082 4.238 4.320 0.000 0.000 0.219 293 A C 2.138 179.748 177.584 0.044 0.000 1.169 293 A CA 1.579 53.643 52.037 0.045 0.000 0.635 293 A CB -0.503 18.535 19.000 0.062 0.000 0.810 293 A HN 0.386 nan 8.150 nan 0.000 0.446 294 A N -1.991 120.854 122.820 0.042 0.000 2.251 294 A HA 0.427 4.747 4.320 0.000 0.000 0.209 294 A C 1.710 179.290 177.584 -0.007 0.000 1.187 294 A CA 1.124 53.178 52.037 0.029 0.000 0.823 294 A CB -0.818 18.206 19.000 0.040 0.000 0.846 294 A HN 1.883 nan 8.150 nan 0.000 0.486 295 G N -0.768 108.023 108.800 -0.015 0.000 2.137 295 G HA2 -0.216 3.744 3.960 0.000 0.000 0.237 295 G HA3 -0.216 3.744 3.960 0.000 0.000 0.237 295 G C 0.019 174.888 174.900 -0.052 0.000 1.002 295 G CA 0.313 45.397 45.100 -0.026 0.000 0.702 295 G HN 0.453 nan 8.290 nan 0.000 0.515 296 I N 1.382 121.894 120.570 -0.095 0.000 2.353 296 I HA 0.514 4.684 4.170 0.000 0.000 0.293 296 I C 1.411 177.472 176.117 -0.094 0.000 0.992 296 I CA -0.250 60.950 61.300 -0.166 0.000 1.268 296 I CB 1.374 39.107 38.000 -0.445 0.000 1.387 296 I HN 0.152 nan 8.210 nan 0.000 0.478 297 G N 6.422 115.231 108.800 0.014 0.000 2.606 297 G HA2 0.487 4.447 3.960 0.000 0.000 0.252 297 G HA3 0.487 4.447 3.960 0.000 0.000 0.252 297 G C -0.525 174.467 174.900 0.154 0.000 1.206 297 G CA -0.485 44.701 45.100 0.144 0.000 0.861 297 G HN 0.461 nan 8.290 nan 0.000 0.561 298 L N -0.275 121.068 121.223 0.200 0.000 2.333 298 L HA 0.558 4.898 4.340 0.000 0.000 0.269 298 L C -1.061 175.957 176.870 0.248 0.000 1.010 298 L CA -1.056 53.877 54.840 0.155 0.000 0.818 298 L CB 2.275 44.361 42.059 0.045 0.000 1.306 298 L HN 0.572 nan 8.230 nan 0.000 0.430 299 Y N 0.156 120.418 120.300 -0.063 0.000 2.433 299 Y HA 0.584 5.134 4.550 0.000 0.000 0.337 299 Y C 0.016 175.642 175.900 -0.457 0.000 1.026 299 Y CA -0.937 57.088 58.100 -0.125 0.000 1.037 299 Y CB 2.190 40.634 38.460 -0.026 0.000 1.245 299 Y HN 0.532 nan 8.280 nan 0.000 0.443 300 G N 3.561 111.735 108.800 -1.043 0.000 2.530 300 G HA2 0.456 4.416 3.960 0.000 0.000 0.313 300 G HA3 0.456 4.416 3.960 0.000 0.000 0.313 300 G C 0.152 174.496 174.900 -0.926 0.000 0.971 300 G CA 0.066 44.204 45.100 -1.604 0.000 1.237 300 G HN 0.965 nan 8.290 nan 0.000 0.446 301 G N 0.395 108.895 108.800 -0.499 0.000 2.528 301 G HA2 0.584 4.545 3.960 0.000 0.000 0.289 301 G HA3 0.584 4.545 3.960 0.000 0.000 0.289 301 G C -0.387 174.534 174.900 0.036 0.000 1.192 301 G CA -0.217 44.776 45.100 -0.177 0.000 0.921 301 G HN 0.668 nan 8.290 nan 0.000 0.512 302 T N -0.817 113.714 114.554 -0.038 0.000 2.864 302 T HA 0.474 4.825 4.350 0.000 0.000 0.299 302 T C 0.196 174.847 174.700 -0.081 0.000 1.166 302 T CA -0.710 61.347 62.100 -0.071 0.000 1.007 302 T CB 1.458 70.200 68.868 -0.210 0.000 1.219 302 T HN 0.199 nan 8.240 nan 0.000 0.506 303 M N 2.900 122.452 119.600 -0.079 0.000 2.496 303 M HA 0.387 4.867 4.480 0.000 0.000 0.330 303 M C 0.186 176.443 176.300 -0.071 0.000 1.133 303 M CA 0.138 55.414 55.300 -0.039 0.000 0.964 303 M CB -0.658 31.965 32.600 0.037 0.000 1.401 303 M HN 0.680 nan 8.290 nan 0.000 0.520 304 L N 0.738 121.877 121.223 -0.141 0.000 3.512 304 L HA -0.235 4.106 4.340 0.000 0.000 0.446 304 L C -0.324 176.500 176.870 -0.076 0.000 1.290 304 L CA 0.150 54.900 54.840 -0.149 0.000 0.871 304 L CB -1.817 40.172 42.059 -0.117 0.000 1.767 304 L HN 0.281 nan 8.230 nan 0.000 0.855 305 E N 0.283 120.442 120.200 -0.069 0.000 2.409 305 E HA 0.444 4.794 4.350 0.000 0.000 0.257 305 E C 1.031 177.620 176.600 -0.018 0.000 1.150 305 E CA 0.733 57.114 56.400 -0.033 0.000 0.942 305 E CB 0.507 30.182 29.700 -0.042 0.000 0.979 305 E HN 0.290 nan 8.360 nan 0.000 0.447 306 G N -0.075 108.725 108.800 -0.001 0.000 2.485 306 G HA2 0.014 3.974 3.960 0.000 0.000 0.260 306 G HA3 0.014 3.974 3.960 0.000 0.000 0.260 306 G C 0.752 175.669 174.900 0.029 0.000 1.459 306 G CA 0.009 45.116 45.100 0.012 0.000 1.060 306 G HN 0.488 nan 8.290 nan 0.000 0.546 307 T N -0.370 114.209 114.554 0.042 0.000 2.684 307 T HA -0.152 4.198 4.350 0.000 0.000 0.267 307 T C 2.575 177.289 174.700 0.023 0.000 1.036 307 T CA 1.468 63.599 62.100 0.053 0.000 1.148 307 T CB -0.304 68.596 68.868 0.054 0.000 0.863 307 T HN 0.133 nan 8.240 nan 0.000 0.436 308 V N 1.437 121.359 119.914 0.014 0.000 2.233 308 V HA -0.142 3.978 4.120 0.000 0.000 0.247 308 V C 2.901 178.987 176.094 -0.014 0.000 1.050 308 V CA 2.158 64.461 62.300 0.005 0.000 1.010 308 V CB -1.395 30.435 31.823 0.013 0.000 0.637 308 V HN 0.603 nan 8.190 nan 0.000 0.444 309 G N -1.113 107.675 108.800 -0.020 0.000 2.422 309 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 309 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 309 G C 1.677 176.529 174.900 -0.080 0.000 1.140 309 G CA 1.418 46.486 45.100 -0.052 0.000 0.775 309 G HN 0.476 nan 8.290 nan 0.000 0.545 310 T N 0.222 114.749 114.554 -0.046 0.000 2.737 310 T HA -0.104 4.246 4.350 0.000 0.000 0.265 310 T C 2.366 177.013 174.700 -0.088 0.000 1.038 310 T CA 1.193 63.266 62.100 -0.045 0.000 1.144 310 T CB -0.312 68.578 68.868 0.037 0.000 0.866 310 T HN 0.056 nan 8.240 nan 0.000 0.434 311 V N 1.384 121.263 119.914 -0.059 0.000 2.515 311 V HA -0.044 4.077 4.120 0.000 0.000 0.250 311 V C 2.612 178.683 176.094 -0.039 0.000 1.058 311 V CA 1.727 63.984 62.300 -0.072 0.000 1.064 311 V CB -0.936 30.878 31.823 -0.014 0.000 0.675 311 V HN 0.502 nan 8.190 nan 0.000 0.461 312 A N -0.610 122.178 122.820 -0.053 0.000 1.908 312 A HA -0.196 4.124 4.320 0.000 0.000 0.218 312 A C 2.450 179.879 177.584 -0.259 0.000 1.181 312 A CA 2.447 54.433 52.037 -0.085 0.000 0.627 312 A CB -0.824 18.108 19.000 -0.113 0.000 0.818 312 A HN 0.593 nan 8.150 nan 0.000 0.445 313 S N -0.032 115.423 115.700 -0.410 0.000 2.355 313 S HA -0.065 4.405 4.470 0.000 0.000 0.222 313 S C 1.788 175.710 174.600 -1.130 0.000 1.031 313 S CA 1.186 58.845 58.200 -0.903 0.000 0.993 313 S CB -0.318 62.446 63.200 -0.726 0.000 0.859 313 S HN 0.412 nan 8.310 nan 0.000 0.453 314 L N 1.543 122.417 121.223 -0.581 0.000 2.079 314 L HA -0.130 4.210 4.340 0.000 0.000 0.210 314 L C 2.324 179.020 176.870 -0.291 0.000 1.081 314 L CA 1.781 56.408 54.840 -0.355 0.000 0.752 314 L CB -1.625 40.292 42.059 -0.237 0.000 0.896 314 L HN 0.446 nan 8.230 nan 0.000 0.433 315 H N -0.552 118.376 119.070 -0.235 0.000 2.387 315 H HA -0.068 4.488 4.556 0.000 0.000 0.299 315 H C 2.102 177.349 175.328 -0.135 0.000 1.090 315 H CA 1.491 57.450 56.048 -0.149 0.000 1.332 315 H CB 0.251 29.929 29.762 -0.140 0.000 1.386 315 H HN 0.311 nan 8.280 nan 0.000 0.516 316 A N 0.575 123.303 122.820 -0.153 0.000 1.872 316 A HA -0.128 4.192 4.320 0.000 0.000 0.214 316 A C 2.388 180.075 177.584 0.172 0.000 1.187 316 A CA 0.790 52.770 52.037 -0.095 0.000 0.614 316 A CB -1.229 17.569 19.000 -0.336 0.000 0.826 316 A HN 0.499 nan 8.150 nan 0.000 0.442 317 W N 1.045 122.338 121.300 -0.010 0.000 2.350 317 W HA -0.214 4.446 4.660 0.000 0.000 0.289 317 W C 2.803 179.310 176.519 -0.019 0.000 1.215 317 W CA 0.931 58.263 57.345 -0.020 0.000 1.236 317 W CB -0.232 29.200 29.460 -0.046 0.000 1.130 317 W HN 0.535 nan 8.180 nan 0.000 0.541 318 S N 0.122 115.935 115.700 0.187 0.000 2.442 318 S HA -0.212 4.258 4.470 0.000 0.000 0.236 318 S C 1.621 176.273 174.600 0.087 0.000 1.007 318 S CA 1.676 59.931 58.200 0.092 0.000 0.965 318 S CB -1.082 62.127 63.200 0.015 0.000 0.773 318 S HN 0.310 nan 8.310 nan 0.000 0.504 319 T N -0.644 113.975 114.554 0.108 0.000 3.129 319 T HA 0.414 4.764 4.350 0.000 0.000 0.251 319 T C 0.368 175.121 174.700 0.088 0.000 1.117 319 T CA -0.297 61.854 62.100 0.085 0.000 1.034 319 T CB -0.507 68.410 68.868 0.081 0.000 0.968 319 T HN 0.380 nan 8.240 nan 0.000 0.526 320 L N 0.633 121.923 121.223 0.112 0.000 2.323 320 L HA 0.582 4.922 4.340 0.000 0.000 0.265 320 L C -2.825 174.077 176.870 0.054 0.000 1.012 320 L CA -3.008 51.885 54.840 0.087 0.000 0.820 320 L CB 2.028 44.156 42.059 0.114 0.000 1.334 320 L HN -0.228 nan 8.230 nan 0.000 0.427 321 P HA 0.288 nan 4.420 nan 0.000 0.284 321 P C -1.060 176.240 177.300 -0.000 0.000 1.343 321 P CA -0.015 63.090 63.100 0.008 0.000 0.826 321 P CB 0.365 32.065 31.700 -0.001 0.000 0.956 322 L N 3.590 124.807 121.223 -0.009 0.000 2.287 322 L HA 0.291 4.632 4.340 0.000 0.000 0.280 322 L C 1.849 178.702 176.870 -0.029 0.000 1.055 322 L CA -0.320 54.513 54.840 -0.012 0.000 0.863 322 L CB 1.088 43.119 42.059 -0.047 0.000 1.245 322 L HN 0.418 nan 8.230 nan 0.000 0.432 323 Q N 2.721 122.478 119.800 -0.071 0.000 2.096 323 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 323 Q C 0.842 176.594 176.000 -0.413 0.000 0.982 323 Q CA 2.172 57.799 55.803 -0.293 0.000 0.850 323 Q CB 0.087 28.564 28.738 -0.434 0.000 0.901 323 Q HN 0.714 nan 8.270 nan 0.000 0.422 324 W N 0.428 121.768 121.300 0.066 0.000 3.388 324 W HA 0.368 5.028 4.660 0.000 0.000 0.324 324 W C 1.021 177.680 176.519 0.233 0.000 1.250 324 W CA 0.268 57.690 57.345 0.127 0.000 1.809 324 W CB 0.057 29.573 29.460 0.092 0.000 1.083 324 W HN 0.441 nan 8.180 nan 0.000 0.685 325 G N 1.033 109.970 108.800 0.227 0.000 2.598 325 G HA2 -0.152 3.808 3.960 0.000 0.000 0.244 325 G HA3 -0.152 3.808 3.960 0.000 0.000 0.244 325 G C 0.017 174.905 174.900 -0.020 0.000 1.302 325 G CA 0.204 45.378 45.100 0.125 0.000 0.903 325 G HN 0.413 nan 8.290 nan 0.000 0.575 326 T N -2.692 111.821 114.554 -0.068 0.000 2.865 326 T HA 0.727 5.077 4.350 0.000 0.000 0.294 326 T C 0.138 174.771 174.700 -0.111 0.000 1.119 326 T CA 0.439 62.365 62.100 -0.290 0.000 1.007 326 T CB 2.099 70.919 68.868 -0.079 0.000 1.225 326 T HN 1.464 nan 8.240 nan 0.000 0.515 327 E N 1.271 121.354 120.200 -0.195 0.000 2.989 327 E HA 0.242 4.592 4.350 0.000 0.000 0.207 327 E C -0.074 176.423 176.600 -0.171 0.000 0.989 327 E CA -0.791 55.627 56.400 0.030 0.000 1.186 327 E CB 0.126 29.863 29.700 0.061 0.000 1.141 327 E HN 0.356 nan 8.360 nan 0.000 0.454 328 M N 1.822 121.432 119.600 0.017 0.000 3.706 328 M HA 0.187 4.667 4.480 0.000 0.000 0.204 328 M C -0.309 176.096 176.300 0.175 0.000 1.455 328 M CA -0.316 55.003 55.300 0.032 0.000 1.659 328 M CB -1.586 31.111 32.600 0.162 0.000 1.076 328 M HN 0.359 nan 8.290 nan 0.000 0.577 329 F N -2.508 117.520 119.950 0.130 0.000 2.653 329 F HA 0.517 5.044 4.527 0.000 0.000 0.304 329 F C 1.408 177.197 175.800 -0.017 0.000 1.092 329 F CA -0.709 57.310 58.000 0.031 0.000 1.279 329 F CB -1.131 37.935 39.000 0.110 0.000 1.044 329 F HN 0.301 nan 8.300 nan 0.000 0.564 330 G N 2.275 110.975 108.800 -0.167 0.000 2.556 330 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 330 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 330 G C -0.667 174.264 174.900 0.052 0.000 1.156 330 G CA 1.244 46.300 45.100 -0.073 0.000 0.766 330 G HN 0.329 nan 8.290 nan 0.000 0.583 331 P HA 0.010 nan 4.420 nan 0.000 0.220 331 P C 1.821 179.145 177.300 0.040 0.000 1.148 331 P CA 0.554 63.706 63.100 0.087 0.000 0.803 331 P CB -0.087 31.741 31.700 0.213 0.000 0.782 332 L N -1.670 119.541 121.223 -0.019 0.000 2.465 332 L HA -0.044 4.296 4.340 0.000 0.000 0.224 332 L C 1.807 178.760 176.870 0.139 0.000 1.145 332 L CA 0.778 55.616 54.840 -0.003 0.000 0.834 332 L CB -0.594 41.440 42.059 -0.042 0.000 0.944 332 L HN 0.024 nan 8.230 nan 0.000 0.451 333 L N -0.392 120.928 121.223 0.162 0.000 2.592 333 L HA 0.149 4.489 4.340 0.000 0.000 0.227 333 L C 0.439 177.355 176.870 0.076 0.000 1.127 333 L CA -0.013 54.916 54.840 0.147 0.000 0.884 333 L CB 0.067 42.209 42.059 0.140 0.000 1.065 333 L HN 0.158 nan 8.230 nan 0.000 0.457 334 L N -0.495 120.758 121.223 0.050 0.000 2.322 334 L HA 0.295 4.635 4.340 0.000 0.000 0.279 334 L C 0.990 177.868 176.870 0.013 0.000 1.036 334 L CA -0.464 54.385 54.840 0.014 0.000 0.807 334 L CB 1.718 43.769 42.059 -0.014 0.000 1.226 334 L HN -0.062 nan 8.230 nan 0.000 0.433 335 K N 0.155 120.557 120.400 0.003 0.000 2.305 335 K HA 0.046 4.366 4.320 0.000 0.000 0.199 335 K C -0.242 176.367 176.600 0.015 0.000 1.047 335 K CA 0.682 56.980 56.287 0.020 0.000 0.976 335 K CB 0.192 32.714 32.500 0.037 0.000 0.765 335 K HN 0.520 nan 8.250 nan 0.000 0.474 336 D N -0.880 119.498 120.400 -0.036 0.000 2.622 336 D HA 0.224 4.864 4.640 0.000 0.000 0.255 336 D C -1.844 174.380 176.300 -0.128 0.000 1.246 336 D CA -0.506 53.469 54.000 -0.043 0.000 0.795 336 D CB 1.850 42.664 40.800 0.024 0.000 1.369 336 D HN -0.207 nan 8.370 nan 0.000 0.425 337 D N -0.331 120.030 120.400 -0.065 0.000 2.636 337 D HA 0.330 4.970 4.640 0.000 0.000 0.275 337 D C 0.323 176.618 176.300 -0.007 0.000 1.130 337 D CA -0.429 53.531 54.000 -0.067 0.000 1.031 337 D CB 1.447 42.241 40.800 -0.010 0.000 1.451 337 D HN 0.285 nan 8.370 nan 0.000 0.505 338 I N -0.527 120.041 120.570 -0.003 0.000 3.891 338 I HA 0.218 4.388 4.170 0.000 0.000 0.331 338 I C 0.385 176.499 176.117 -0.004 0.000 1.406 338 I CA -0.488 60.823 61.300 0.020 0.000 1.139 338 I CB -0.414 37.581 38.000 -0.008 0.000 1.056 338 I HN 0.106 nan 8.210 nan 0.000 0.399 339 V N -1.452 118.465 119.914 0.006 0.000 2.966 339 V HA 0.663 4.783 4.120 0.000 0.000 0.317 339 V C 1.403 177.502 176.094 0.007 0.000 1.070 339 V CA 0.120 62.422 62.300 0.003 0.000 1.008 339 V CB 1.231 33.061 31.823 0.011 0.000 1.070 339 V HN 0.300 nan 8.190 nan 0.000 0.457 340 S N 1.365 117.066 115.700 0.002 0.000 2.395 340 S HA 0.125 4.595 4.470 0.000 0.000 0.225 340 S C 0.577 175.182 174.600 0.009 0.000 1.027 340 S CA 0.679 58.881 58.200 0.003 0.000 0.965 340 S CB -0.133 63.065 63.200 -0.003 0.000 0.812 340 S HN 0.912 nan 8.310 nan 0.000 0.482 341 V N 4.076 123.997 119.914 0.011 0.000 2.525 341 V HA 0.518 4.638 4.120 0.000 0.000 0.299 341 V C -2.422 173.685 176.094 0.021 0.000 1.034 341 V CA -1.908 60.401 62.300 0.015 0.000 0.863 341 V CB 1.898 33.726 31.823 0.008 0.000 0.999 341 V HN 0.317 nan 8.190 nan 0.000 0.423 342 P HA 0.432 nan 4.420 nan 0.000 0.278 342 P C -0.533 176.791 177.300 0.039 0.000 1.258 342 P CA -0.506 62.629 63.100 0.059 0.000 0.811 342 P CB 1.311 33.066 31.700 0.092 0.000 1.063 343 L N 0.545 121.788 121.223 0.033 0.000 2.452 343 L HA 0.222 4.562 4.340 0.000 0.000 0.267 343 L C 1.272 178.085 176.870 -0.094 0.000 1.188 343 L CA -0.121 54.658 54.840 -0.101 0.000 0.821 343 L CB -0.015 41.883 42.059 -0.267 0.000 1.102 343 L HN 0.483 nan 8.230 nan 0.000 0.470 344 T N -0.832 113.619 114.554 -0.173 0.000 2.733 344 T HA 0.515 4.866 4.350 0.000 0.000 0.294 344 T C -0.591 173.998 174.700 -0.184 0.000 0.956 344 T CA -0.493 61.559 62.100 -0.079 0.000 0.987 344 T CB 0.066 68.906 68.868 -0.047 0.000 0.920 344 T HN 0.169 nan 8.240 nan 0.000 0.470 345 F N 2.338 122.298 119.950 0.017 0.000 2.421 345 F HA 0.735 5.262 4.527 0.000 0.000 0.337 345 F C 0.606 176.410 175.800 0.006 0.000 1.105 345 F CA -0.512 57.502 58.000 0.023 0.000 1.049 345 F CB 1.871 40.897 39.000 0.043 0.000 1.139 345 F HN 1.010 nan 8.300 nan 0.000 0.479 346 A N 1.878 124.798 122.820 0.167 0.000 2.582 346 A HA 0.522 4.842 4.320 0.000 0.000 0.297 346 A C -1.206 176.416 177.584 0.063 0.000 1.059 346 A CA -1.023 51.067 52.037 0.088 0.000 0.705 346 A CB 0.699 19.727 19.000 0.046 0.000 1.279 346 A HN 0.717 nan 8.150 nan 0.000 0.404 347 D N 1.127 121.551 120.400 0.039 0.000 2.737 347 D HA -0.092 4.548 4.640 0.000 0.000 0.238 347 D C 1.176 177.495 176.300 0.032 0.000 1.157 347 D CA 3.108 57.121 54.000 0.023 0.000 0.694 347 D CB -1.223 39.585 40.800 0.014 0.000 1.021 347 D HN 2.300 nan 8.370 nan 0.000 0.420 348 G N -0.225 108.602 108.800 0.045 0.000 2.258 348 G HA2 -0.337 3.623 3.960 0.000 0.000 0.274 348 G HA3 -0.337 3.623 3.960 0.000 0.000 0.274 348 G C 0.225 175.182 174.900 0.096 0.000 1.021 348 G CA 1.070 46.205 45.100 0.059 0.000 0.798 348 G HN 0.588 nan 8.290 nan 0.000 0.507 349 Q N -2.193 117.678 119.800 0.119 0.000 2.553 349 Q HA 0.755 5.096 4.340 0.000 0.000 0.293 349 Q C -1.136 174.916 176.000 0.086 0.000 1.038 349 Q CA -0.897 54.962 55.803 0.095 0.000 0.777 349 Q CB 3.080 31.838 28.738 0.034 0.000 1.487 349 Q HN 0.511 nan 8.270 nan 0.000 0.426 350 V N 0.068 119.960 119.914 -0.037 0.000 2.760 350 V HA 0.827 4.948 4.120 0.000 0.000 0.309 350 V C -1.553 174.407 176.094 -0.224 0.000 1.077 350 V CA -0.457 61.667 62.300 -0.292 0.000 0.910 350 V CB 1.819 33.337 31.823 -0.508 0.000 1.008 350 V HN 0.871 nan 8.190 nan 0.000 0.424 351 A N 5.948 128.616 122.820 -0.253 0.000 2.320 351 A HA 0.690 5.011 4.320 0.000 0.000 0.287 351 A C -0.666 176.802 177.584 -0.194 0.000 1.181 351 A CA -0.348 51.587 52.037 -0.171 0.000 0.831 351 A CB 0.706 19.628 19.000 -0.130 0.000 1.102 351 A HN 1.167 nan 8.150 nan 0.000 0.513 352 L N 5.298 126.419 121.223 -0.169 0.000 2.278 352 L HA 0.478 4.818 4.340 0.000 0.000 0.287 352 L C -2.261 174.513 176.870 -0.160 0.000 1.072 352 L CA -1.588 53.120 54.840 -0.220 0.000 0.819 352 L CB 0.571 42.486 42.059 -0.239 0.000 1.176 352 L HN 0.395 nan 8.230 nan 0.000 0.435 353 P HA 0.120 nan 4.420 nan 0.000 0.269 353 P C -0.781 176.535 177.300 0.028 0.000 1.209 353 P CA -0.042 63.036 63.100 -0.036 0.000 0.776 353 P CB 0.462 32.167 31.700 0.008 0.000 0.876 354 Q N 0.277 120.097 119.800 0.032 0.000 2.129 354 Q HA 0.135 4.476 4.340 0.000 0.000 0.274 354 Q C 0.179 176.202 176.000 0.038 0.000 0.854 354 Q CA 0.102 55.937 55.803 0.053 0.000 1.123 354 Q CB 0.297 29.048 28.738 0.022 0.000 1.226 354 Q HN 0.561 nan 8.270 nan 0.000 0.454 355 T N -2.308 112.268 114.554 0.036 0.000 2.849 355 T HA 0.553 4.903 4.350 0.000 0.000 0.276 355 T C -2.556 172.147 174.700 0.005 0.000 0.971 355 T CA -2.114 59.995 62.100 0.015 0.000 0.949 355 T CB 1.007 69.880 68.868 0.010 0.000 1.093 355 T HN -0.158 nan 8.240 nan 0.000 0.545 356 P HA 0.350 nan 4.420 nan 0.000 0.265 356 P C 0.981 178.253 177.300 -0.048 0.000 1.193 356 P CA 1.484 64.567 63.100 -0.028 0.000 0.765 356 P CB -0.048 31.639 31.700 -0.021 0.000 0.823 357 G N 2.116 110.863 108.800 -0.089 0.000 2.512 357 G HA2 -0.307 3.653 3.960 0.000 0.000 0.254 357 G HA3 -0.307 3.653 3.960 0.000 0.000 0.254 357 G C 0.740 175.509 174.900 -0.219 0.000 1.199 357 G CA 0.049 45.069 45.100 -0.133 0.000 0.941 357 G HN 0.445 nan 8.290 nan 0.000 0.569 358 L N 1.404 122.531 121.223 -0.161 0.000 2.156 358 L HA 0.320 4.660 4.340 0.000 0.000 0.208 358 L C 2.600 179.530 176.870 0.100 0.000 1.095 358 L CA 1.652 56.427 54.840 -0.109 0.000 0.770 358 L CB -0.529 41.511 42.059 -0.032 0.000 0.914 358 L HN 2.195 nan 8.230 nan 0.000 0.439 359 G N 0.044 108.864 108.800 0.033 0.000 2.159 359 G HA2 -0.206 3.754 3.960 0.000 0.000 0.227 359 G HA3 -0.206 3.754 3.960 0.000 0.000 0.227 359 G C 0.122 175.038 174.900 0.027 0.000 0.986 359 G CA 0.021 45.149 45.100 0.046 0.000 0.651 359 G HN 0.281 nan 8.290 nan 0.000 0.523 360 V N -2.836 117.089 119.914 0.019 0.000 3.001 360 V HA 0.984 5.104 4.120 0.000 0.000 0.314 360 V C -0.534 175.563 176.094 0.005 0.000 1.099 360 V CA -1.237 61.070 62.300 0.011 0.000 0.989 360 V CB 2.196 34.027 31.823 0.014 0.000 1.040 360 V HN 0.327 nan 8.190 nan 0.000 0.434 361 E N 1.357 121.558 120.200 0.002 0.000 2.288 361 E HA 0.643 4.993 4.350 0.000 0.000 0.268 361 E C -1.374 175.220 176.600 -0.011 0.000 0.885 361 E CA -0.818 55.580 56.400 -0.003 0.000 0.767 361 E CB 1.978 31.676 29.700 -0.003 0.000 1.220 361 E HN 0.897 nan 8.360 nan 0.000 0.427 362 L N 3.211 124.422 121.223 -0.020 0.000 2.410 362 L HA 0.210 4.550 4.340 0.000 0.000 0.273 362 L C -0.452 176.383 176.870 -0.059 0.000 1.144 362 L CA 0.512 55.323 54.840 -0.048 0.000 0.863 362 L CB 0.628 42.647 42.059 -0.067 0.000 1.140 362 L HN 0.457 nan 8.230 nan 0.000 0.463 363 D N 4.430 124.792 120.400 -0.063 0.000 2.479 363 D HA 0.057 4.697 4.640 0.000 0.000 0.218 363 D C 0.825 177.062 176.300 -0.106 0.000 1.131 363 D CA -0.046 53.922 54.000 -0.053 0.000 0.916 363 D CB 0.634 41.422 40.800 -0.019 0.000 1.022 363 D HN 0.654 nan 8.370 nan 0.000 0.515 364 E N 1.829 121.951 120.200 -0.129 0.000 2.130 364 E HA -0.198 4.152 4.350 0.000 0.000 0.196 364 E C 0.756 177.258 176.600 -0.162 0.000 0.998 364 E CA 0.982 57.240 56.400 -0.237 0.000 0.806 364 E CB 0.336 29.968 29.700 -0.114 0.000 0.738 364 E HN 0.514 nan 8.360 nan 0.000 0.459 365 D N 0.732 121.120 120.400 -0.021 0.000 2.117 365 D HA -0.120 4.520 4.640 0.000 0.000 0.197 365 D C 1.783 178.093 176.300 0.017 0.000 0.987 365 D CA 1.108 55.130 54.000 0.037 0.000 0.829 365 D CB -0.071 40.728 40.800 -0.001 0.000 0.961 365 D HN 0.122 nan 8.370 nan 0.000 0.460 366 K N 0.025 120.423 120.400 -0.004 0.000 2.103 366 K HA -0.079 4.241 4.320 0.000 0.000 0.204 366 K C 2.072 178.744 176.600 0.121 0.000 1.052 366 K CA 0.188 56.528 56.287 0.088 0.000 0.945 366 K CB -0.159 32.438 32.500 0.162 0.000 0.722 366 K HN 0.019 nan 8.250 nan 0.000 0.443 367 L N 1.374 122.543 121.223 -0.089 0.000 1.990 367 L HA -0.232 4.108 4.340 0.000 0.000 0.213 367 L C 2.210 178.910 176.870 -0.284 0.000 1.072 367 L CA 1.966 56.637 54.840 -0.281 0.000 0.755 367 L CB -0.612 41.056 42.059 -0.652 0.000 0.889 367 L HN 0.267 nan 8.230 nan 0.000 0.432 368 H N -1.579 117.406 119.070 -0.141 0.000 2.353 368 H HA -0.175 4.381 4.556 0.000 0.000 0.300 368 H C 2.106 177.415 175.328 -0.032 0.000 1.090 368 H CA 1.868 57.857 56.048 -0.098 0.000 1.327 368 H CB -0.641 29.085 29.762 -0.059 0.000 1.383 368 H HN 0.460 nan 8.280 nan 0.000 0.508 369 F N 1.013 120.920 119.950 -0.071 0.000 2.134 369 F HA -0.247 4.280 4.527 0.000 0.000 0.299 369 F C 1.652 177.290 175.800 -0.269 0.000 1.097 369 F CA 1.277 59.141 58.000 -0.228 0.000 1.264 369 F CB -0.359 38.386 39.000 -0.426 0.000 1.001 369 F HN -0.001 nan 8.300 nan 0.000 0.479 370 Y N 0.010 120.329 120.300 0.032 0.000 2.490 370 Y HA 0.155 4.705 4.550 0.000 0.000 0.281 370 Y C 1.154 177.025 175.900 -0.048 0.000 1.174 370 Y CA -0.030 58.042 58.100 -0.047 0.000 1.295 370 Y CB -1.164 37.331 38.460 0.057 0.000 1.062 370 Y HN -0.250 nan 8.280 nan 0.000 0.522 371 T N 1.077 115.676 114.554 0.075 0.000 2.940 371 T HA -0.030 4.320 4.350 0.000 0.000 0.309 371 T C 1.527 176.272 174.700 0.075 0.000 1.056 371 T CA -0.099 62.061 62.100 0.099 0.000 1.137 371 T CB 1.032 69.973 68.868 0.122 0.000 0.976 371 T HN 0.356 nan 8.240 nan 0.000 0.547 372 R N 1.481 122.041 120.500 0.101 0.000 2.061 372 R HA -0.047 4.293 4.340 0.000 0.000 0.230 372 R C 1.105 177.437 176.300 0.052 0.000 1.140 372 R CA 1.236 57.375 56.100 0.066 0.000 0.940 372 R CB 0.067 30.411 30.300 0.074 0.000 0.839 372 R HN 0.571 nan 8.270 nan 0.000 0.429 373 Q N 0.000 119.848 119.800 0.079 0.000 2.315 373 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 373 Q CA 0.000 55.842 55.803 0.065 0.000 1.022 373 Q CB 0.000 28.775 28.738 0.061 0.000 1.108 373 Q HN 0.000 nan 8.270 nan 0.000 0.481