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 1utc_1_B DATA FIRST_RESID 3 DATA SEQUENCE QILPIRFQEH LQLQNLGINP ANIGFSTLTM ESDKFICIRE KVGEQAQVVI DATA SEQUENCE IDMNDPSNPI RRPISADSAI MNPASKVIAL KAGKTLQIFN IEMKSKMKAH DATA SEQUENCE TMTDDVTFWK WISLNTVALV TDNAVYHWSM EGESQPVKMF DRHSSLAGCQ DATA SEQUENCE IINYRTDAKQ KWLLLTGISA QQNRVVGAMQ LYSVDRKVSQ PIEGHAASFA DATA SEQUENCE QFKMEGNAEE STLFCFAVRG QAGGKLHIIE VGTPPTGNQP FPKKAVDVFF DATA SEQUENCE PPEAQNDFPV AMQISEKHDV VFLITKYGYI HLYDLETGTC IYMNRISGET DATA SEQUENCE IFVTAPHEAT AGIIGVNRKG QVLSVCVEEE NIIPYITNVL QNPDLALRMA DATA SEQUENCE VRN 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.032 176.000 0.053 0.000 1.003 3 Q CA 0.000 55.837 55.803 0.057 0.000 1.022 3 Q CB 0.000 28.762 28.738 0.040 0.000 1.108 4 I N -0.278 120.343 120.570 0.084 0.000 2.499 4 I HA 0.564 4.734 4.170 0.001 0.000 0.296 4 I C -0.572 175.562 176.117 0.029 0.000 0.992 4 I CA -1.024 60.314 61.300 0.064 0.000 1.297 4 I CB 0.747 38.794 38.000 0.079 0.000 1.410 4 I HN -0.247 nan 8.210 nan 0.000 0.507 5 L N 6.172 127.301 121.223 -0.157 0.000 2.346 5 L HA 0.554 4.895 4.340 0.001 0.000 0.274 5 L C -1.724 174.798 176.870 -0.580 0.000 1.007 5 L CA -2.360 52.199 54.840 -0.468 0.000 0.818 5 L CB 1.226 43.052 42.059 -0.388 0.000 1.284 5 L HN 0.476 nan 8.230 nan 0.000 0.424 6 P HA 0.036 nan 4.420 nan 0.000 0.237 6 P C 0.077 177.132 177.300 -0.408 0.000 1.178 6 P CA 0.842 63.588 63.100 -0.591 0.000 0.766 6 P CB 0.321 31.641 31.700 -0.633 0.000 0.876 7 I N -4.066 116.224 120.570 -0.467 0.000 3.067 7 I HA 0.635 4.805 4.170 0.001 0.000 0.312 7 I C -0.471 175.551 176.117 -0.160 0.000 1.073 7 I CA -1.946 59.200 61.300 -0.257 0.000 1.016 7 I CB 2.494 40.350 38.000 -0.239 0.000 1.227 7 I HN -0.411 nan 8.210 nan 0.000 0.456 8 R N 2.346 122.818 120.500 -0.046 0.000 2.409 8 R HA 0.484 4.825 4.340 0.001 0.000 0.313 8 R C -1.866 174.494 176.300 0.100 0.000 0.953 8 R CA -0.556 55.547 56.100 0.005 0.000 0.849 8 R CB 1.470 31.768 30.300 -0.003 0.000 1.171 8 R HN 0.656 nan 8.270 nan 0.000 0.458 9 F N 2.814 122.727 119.950 -0.061 0.000 2.458 9 F HA 0.475 5.002 4.527 0.001 0.000 0.330 9 F C -0.826 174.935 175.800 -0.065 0.000 1.082 9 F CA -0.416 57.557 58.000 -0.045 0.000 0.995 9 F CB 1.677 40.659 39.000 -0.030 0.000 1.170 9 F HN 0.518 nan 8.300 nan 0.000 0.478 10 Q N 3.906 123.133 119.800 -0.956 0.000 2.443 10 Q HA 0.186 4.526 4.340 0.001 0.000 0.258 10 Q C -1.983 173.515 176.000 -0.836 0.000 0.967 10 Q CA -0.635 54.692 55.803 -0.793 0.000 0.951 10 Q CB 1.565 30.001 28.738 -0.503 0.000 1.459 10 Q HN 0.820 nan 8.270 nan 0.000 0.415 11 E N 3.139 122.936 120.200 -0.671 0.000 2.146 11 E HA 0.205 4.556 4.350 0.001 0.000 0.282 11 E C -0.166 176.213 176.600 -0.369 0.000 0.989 11 E CA -0.240 55.918 56.400 -0.403 0.000 0.799 11 E CB 0.670 30.215 29.700 -0.258 0.000 1.088 11 E HN 0.728 nan 8.360 nan 0.000 0.397 12 H N 3.963 122.943 119.070 -0.149 0.000 2.582 12 H HA 0.277 4.833 4.556 0.001 0.000 0.269 12 H C 0.104 175.388 175.328 -0.072 0.000 0.962 12 H CA 0.384 56.368 56.048 -0.106 0.000 1.230 12 H CB 1.023 30.719 29.762 -0.111 0.000 1.445 12 H HN 0.356 nan 8.280 nan 0.000 0.528 13 L N 1.190 122.440 121.223 0.046 0.000 2.703 13 L HA 0.089 4.430 4.340 0.001 0.000 0.257 13 L C -1.383 175.500 176.870 0.021 0.000 0.923 13 L CA -0.738 54.120 54.840 0.030 0.000 0.936 13 L CB 2.898 44.980 42.059 0.038 0.000 1.482 13 L HN -0.028 nan 8.230 nan 0.000 0.432 14 Q N 2.536 122.347 119.800 0.018 0.000 2.347 14 Q HA 0.466 4.806 4.340 0.001 0.000 0.262 14 Q C -0.276 175.743 176.000 0.033 0.000 0.980 14 Q CA -0.228 55.591 55.803 0.027 0.000 0.867 14 Q CB 1.804 30.555 28.738 0.022 0.000 1.242 14 Q HN 0.665 nan 8.270 nan 0.000 0.453 15 L N 2.726 123.975 121.223 0.044 0.000 2.217 15 L HA -0.106 4.235 4.340 0.001 0.000 0.211 15 L C 1.775 178.672 176.870 0.044 0.000 1.107 15 L CA 0.822 55.691 54.840 0.048 0.000 0.783 15 L CB -0.120 41.978 42.059 0.064 0.000 0.919 15 L HN 0.738 nan 8.230 nan 0.000 0.442 16 Q N 0.129 119.955 119.800 0.043 0.000 2.170 16 Q HA -0.169 4.171 4.340 0.001 0.000 0.203 16 Q C 1.387 177.404 176.000 0.028 0.000 0.976 16 Q CA 1.130 56.954 55.803 0.036 0.000 0.858 16 Q CB -0.215 28.544 28.738 0.036 0.000 0.907 16 Q HN 0.524 nan 8.270 nan 0.000 0.433 17 N N 0.372 119.087 118.700 0.025 0.000 2.609 17 N HA -0.045 4.695 4.740 0.001 0.000 0.190 17 N C 0.924 176.447 175.510 0.021 0.000 1.157 17 N CA 0.729 53.791 53.050 0.020 0.000 0.918 17 N CB 0.133 38.630 38.487 0.016 0.000 0.978 17 N HN 0.285 nan 8.380 nan 0.000 0.448 18 L N -1.309 119.929 121.223 0.025 0.000 2.728 18 L HA 0.273 4.613 4.340 0.001 0.000 0.238 18 L C 1.082 177.967 176.870 0.024 0.000 1.143 18 L CA -0.027 54.828 54.840 0.025 0.000 0.937 18 L CB 0.153 42.230 42.059 0.029 0.000 1.225 18 L HN 0.153 nan 8.230 nan 0.000 0.507 19 G N 0.786 109.600 108.800 0.024 0.000 2.157 19 G HA2 -0.247 3.713 3.960 0.001 0.000 0.239 19 G HA3 -0.247 3.713 3.960 0.001 0.000 0.239 19 G C 0.258 175.173 174.900 0.025 0.000 0.982 19 G CA -0.391 44.722 45.100 0.022 0.000 0.650 19 G HN 0.235 nan 8.290 nan 0.000 0.527 20 I N 1.276 121.864 120.570 0.031 0.000 2.496 20 I HA 0.121 4.291 4.170 0.001 0.000 0.285 20 I C 0.556 176.694 176.117 0.035 0.000 1.080 20 I CA -0.604 60.717 61.300 0.035 0.000 1.404 20 I CB 0.805 38.832 38.000 0.045 0.000 1.403 20 I HN 0.104 nan 8.210 nan 0.000 0.539 21 N N 9.039 127.757 118.700 0.031 0.000 2.442 21 N HA 0.121 4.861 4.740 0.001 0.000 0.265 21 N C -1.725 173.803 175.510 0.030 0.000 1.138 21 N CA -1.507 51.559 53.050 0.027 0.000 0.956 21 N CB 1.568 40.068 38.487 0.021 0.000 1.067 21 N HN 0.278 nan 8.380 nan 0.000 0.474 22 P HA -0.100 nan 4.420 nan 0.000 0.221 22 P C 0.747 178.058 177.300 0.018 0.000 1.145 22 P CA 0.857 63.977 63.100 0.032 0.000 0.795 22 P CB 0.131 31.849 31.700 0.029 0.000 0.775 23 A N 0.083 122.910 122.820 0.012 0.000 2.070 23 A HA -0.164 4.157 4.320 0.001 0.000 0.220 23 A C 1.917 179.499 177.584 -0.002 0.000 1.159 23 A CA 1.405 53.444 52.037 0.003 0.000 0.656 23 A CB -1.011 17.991 19.000 0.005 0.000 0.800 23 A HN 0.168 nan 8.150 nan 0.000 0.453 24 N N -0.346 118.360 118.700 0.010 0.000 2.336 24 N HA 0.141 4.882 4.740 0.001 0.000 0.189 24 N C -0.038 175.488 175.510 0.027 0.000 1.113 24 N CA 0.311 53.370 53.050 0.015 0.000 0.858 24 N CB 0.256 38.760 38.487 0.027 0.000 0.970 24 N HN 0.471 nan 8.380 nan 0.000 0.471 25 I N 1.235 121.820 120.570 0.026 0.000 2.268 25 I HA 0.376 4.546 4.170 0.001 0.000 0.290 25 I C 0.491 176.510 176.117 -0.164 0.000 1.125 25 I CA -0.486 60.853 61.300 0.064 0.000 1.236 25 I CB 0.461 38.544 38.000 0.139 0.000 1.469 25 I HN -0.113 nan 8.210 nan 0.000 0.512 26 G N 2.392 110.946 108.800 -0.411 0.000 2.576 26 G HA2 0.210 4.170 3.960 0.001 0.000 0.290 26 G HA3 0.210 4.170 3.960 0.001 0.000 0.290 26 G C -0.309 174.158 174.900 -0.721 0.000 1.442 26 G CA -0.634 43.930 45.100 -0.894 0.000 0.792 26 G HN 0.274 nan 8.290 nan 0.000 0.491 27 F N 1.354 120.854 119.950 -0.750 0.000 2.236 27 F HA -0.131 4.397 4.527 0.000 0.000 0.302 27 F C 2.581 178.419 175.800 0.064 0.000 1.073 27 F CA 2.670 60.642 58.000 -0.047 0.000 1.336 27 F CB 0.254 39.314 39.000 0.100 0.000 1.040 27 F HN 0.373 nan 8.300 nan 0.000 0.507 28 S N -2.237 113.461 115.700 -0.002 0.000 2.528 28 S HA -0.005 4.466 4.470 0.001 0.000 0.219 28 S C 1.436 176.006 174.600 -0.050 0.000 0.985 28 S CA 0.717 58.892 58.200 -0.042 0.000 0.914 28 S CB -0.629 62.600 63.200 0.048 0.000 0.776 28 S HN 0.514 nan 8.310 nan 0.000 0.526 29 T N -1.325 113.210 114.554 -0.032 0.000 2.986 29 T HA 0.434 4.784 4.350 0.001 0.000 0.264 29 T C -0.050 174.680 174.700 0.049 0.000 0.964 29 T CA -0.447 61.656 62.100 0.004 0.000 0.895 29 T CB -0.159 68.713 68.868 0.005 0.000 1.163 29 T HN 0.318 nan 8.240 nan 0.000 0.517 30 L N 3.199 124.482 121.223 0.100 0.000 2.325 30 L HA 0.709 5.049 4.340 0.001 0.000 0.281 30 L C -0.871 176.126 176.870 0.211 0.000 1.004 30 L CA -0.380 54.577 54.840 0.195 0.000 0.823 30 L CB 1.862 44.119 42.059 0.331 0.000 1.236 30 L HN 0.329 nan 8.230 nan 0.000 0.415 31 T N 2.262 116.894 114.554 0.131 0.000 2.856 31 T HA 0.584 4.934 4.350 0.001 0.000 0.283 31 T C -0.450 174.307 174.700 0.096 0.000 1.008 31 T CA -0.689 61.471 62.100 0.099 0.000 0.997 31 T CB 1.813 70.716 68.868 0.058 0.000 0.992 31 T HN 0.676 nan 8.240 nan 0.000 0.454 32 M N 2.824 122.476 119.600 0.087 0.000 2.037 32 M HA 0.295 4.775 4.480 0.001 0.000 0.255 32 M C 0.113 176.463 176.300 0.083 0.000 0.914 32 M CA -0.459 54.882 55.300 0.069 0.000 0.986 32 M CB 1.158 33.771 32.600 0.021 0.000 1.947 32 M HN 0.676 nan 8.290 nan 0.000 0.419 33 E N 1.124 121.383 120.200 0.100 0.000 2.481 33 E HA 0.099 4.449 4.350 0.001 0.000 0.195 33 E C 0.073 176.725 176.600 0.085 0.000 1.047 33 E CA 0.374 56.845 56.400 0.119 0.000 0.867 33 E CB 0.404 30.200 29.700 0.159 0.000 0.858 33 E HN 0.737 nan 8.360 nan 0.000 0.513 34 S N 0.006 115.737 115.700 0.053 0.000 2.643 34 S HA 0.084 4.555 4.470 0.001 0.000 0.266 34 S C -0.209 174.376 174.600 -0.025 0.000 1.130 34 S CA -0.459 57.750 58.200 0.015 0.000 0.817 34 S CB 0.960 64.154 63.200 -0.011 0.000 1.107 34 S HN -0.087 nan 8.310 nan 0.000 0.471 35 D N 0.272 120.642 120.400 -0.049 0.000 2.378 35 D HA 0.058 4.698 4.640 0.001 0.000 0.227 35 D C 1.050 177.248 176.300 -0.171 0.000 1.012 35 D CA 0.398 54.341 54.000 -0.094 0.000 0.905 35 D CB 0.005 40.788 40.800 -0.028 0.000 0.895 35 D HN 0.389 nan 8.370 nan 0.000 0.532 36 K N -0.472 119.776 120.400 -0.254 0.000 2.186 36 K HA 0.124 4.444 4.320 0.001 0.000 0.202 36 K C 0.099 176.232 176.600 -0.779 0.000 1.052 36 K CA 0.437 56.383 56.287 -0.568 0.000 0.965 36 K CB 0.279 32.300 32.500 -0.798 0.000 0.746 36 K HN 0.260 nan 8.250 nan 0.000 0.457 37 F N -0.017 119.901 119.950 -0.053 0.000 2.578 37 F HA 0.452 4.979 4.527 0.000 0.000 0.311 37 F C -0.193 175.590 175.800 -0.030 0.000 1.094 37 F CA -1.083 56.892 58.000 -0.041 0.000 0.923 37 F CB 1.703 40.677 39.000 -0.045 0.000 1.230 37 F HN -0.321 nan 8.300 nan 0.000 0.450 38 I N 2.418 123.098 120.570 0.184 0.000 2.433 38 I HA 0.410 4.580 4.170 0.001 0.000 0.292 38 I C -1.098 175.087 176.117 0.113 0.000 1.001 38 I CA -0.667 60.703 61.300 0.115 0.000 1.119 38 I CB 1.816 39.858 38.000 0.070 0.000 1.289 38 I HN 0.591 nan 8.210 nan 0.000 0.438 39 C N 8.035 127.390 119.300 0.093 0.000 2.340 39 C HA 0.703 5.164 4.460 0.001 0.000 0.323 39 C C -0.576 174.457 174.990 0.072 0.000 1.260 39 C CA -0.462 58.597 59.018 0.067 0.000 1.464 39 C CB -0.259 27.508 27.740 0.044 0.000 2.156 39 C HN 0.635 nan 8.230 nan 0.000 0.476 40 I N 6.357 126.964 120.570 0.063 0.000 2.389 40 I HA 0.492 4.663 4.170 0.001 0.000 0.288 40 I C 0.245 176.389 176.117 0.043 0.000 0.999 40 I CA -0.258 61.080 61.300 0.063 0.000 1.129 40 I CB 0.943 38.983 38.000 0.067 0.000 1.288 40 I HN 0.486 nan 8.210 nan 0.000 0.444 41 R N 6.460 126.984 120.500 0.039 0.000 2.216 41 R HA 0.391 4.731 4.340 0.001 0.000 0.332 41 R C -0.742 175.570 176.300 0.020 0.000 1.056 41 R CA -0.036 56.080 56.100 0.026 0.000 0.901 41 R CB 0.607 30.922 30.300 0.024 0.000 1.039 41 R HN 0.660 nan 8.270 nan 0.000 0.456 42 E N 2.723 122.932 120.200 0.015 0.000 2.299 42 E HA 0.276 4.626 4.350 0.001 0.000 0.265 42 E C -1.051 175.552 176.600 0.006 0.000 0.911 42 E CA -1.045 55.363 56.400 0.013 0.000 0.789 42 E CB 2.378 32.088 29.700 0.017 0.000 1.246 42 E HN 0.130 nan 8.360 nan 0.000 0.427 43 K N 1.031 121.434 120.400 0.005 0.000 2.323 43 K HA 0.389 4.709 4.320 0.001 0.000 0.259 43 K C -1.597 175.005 176.600 0.003 0.000 0.947 43 K CA -0.549 55.739 56.287 0.001 0.000 0.819 43 K CB 1.491 33.990 32.500 -0.000 0.000 1.109 43 K HN 0.190 nan 8.250 nan 0.000 0.429 44 V N 4.810 124.725 119.914 0.001 0.000 2.409 44 V HA 0.516 4.637 4.120 0.001 0.000 0.290 44 V C 0.940 177.035 176.094 0.000 0.000 1.017 44 V CA -0.070 62.231 62.300 0.002 0.000 0.841 44 V CB 0.542 32.367 31.823 0.004 0.000 1.003 44 V HN 1.029 nan 8.190 nan 0.000 0.426 45 G N 4.768 113.568 108.800 0.000 0.000 2.690 45 G HA2 -0.283 3.678 3.960 0.001 0.000 0.334 45 G HA3 -0.283 3.678 3.960 0.001 0.000 0.334 45 G C 0.589 175.488 174.900 -0.003 0.000 1.250 45 G CA 0.860 45.960 45.100 -0.001 0.000 0.994 45 G HN 0.621 nan 8.290 nan 0.000 0.549 46 E N 0.757 120.954 120.200 -0.004 0.000 2.538 46 E HA 0.184 4.534 4.350 0.001 0.000 0.207 46 E C 0.984 177.579 176.600 -0.008 0.000 1.002 46 E CA 0.087 56.483 56.400 -0.007 0.000 0.952 46 E CB 0.760 30.456 29.700 -0.008 0.000 1.031 46 E HN 0.444 nan 8.360 nan 0.000 0.476 47 Q N 1.239 121.035 119.800 -0.007 0.000 2.314 47 Q HA 0.397 4.737 4.340 0.001 0.000 0.257 47 Q C -0.759 175.236 176.000 -0.009 0.000 0.975 47 Q CA -0.266 55.531 55.803 -0.009 0.000 0.933 47 Q CB 1.002 29.736 28.738 -0.007 0.000 1.195 47 Q HN 0.080 nan 8.270 nan 0.000 0.426 48 A N 4.758 127.571 122.820 -0.012 0.000 2.371 48 A HA 0.558 4.879 4.320 0.001 0.000 0.257 48 A C -0.687 176.890 177.584 -0.011 0.000 1.089 48 A CA -0.260 51.770 52.037 -0.011 0.000 0.794 48 A CB 0.351 19.342 19.000 -0.015 0.000 1.029 48 A HN 0.843 nan 8.150 nan 0.000 0.488 49 Q N 0.131 119.927 119.800 -0.006 0.000 2.418 49 Q HA 0.608 4.948 4.340 0.001 0.000 0.282 49 Q C -1.056 174.945 176.000 0.001 0.000 1.044 49 Q CA -1.106 54.694 55.803 -0.005 0.000 0.813 49 Q CB 1.722 30.459 28.738 -0.001 0.000 1.428 49 Q HN 0.852 nan 8.270 nan 0.000 0.402 50 V N -1.169 118.744 119.914 -0.001 0.000 2.427 50 V HA 0.684 4.805 4.120 0.001 0.000 0.286 50 V C -0.367 175.734 176.094 0.012 0.000 1.034 50 V CA -0.641 61.663 62.300 0.008 0.000 0.893 50 V CB 1.423 33.248 31.823 0.003 0.000 0.982 50 V HN 0.601 nan 8.190 nan 0.000 0.452 51 V N 6.683 126.610 119.914 0.021 0.000 2.350 51 V HA 0.475 4.596 4.120 0.001 0.000 0.276 51 V C 0.087 176.200 176.094 0.032 0.000 1.028 51 V CA -0.250 62.066 62.300 0.027 0.000 0.860 51 V CB 1.074 32.917 31.823 0.033 0.000 0.990 51 V HN 0.819 nan 8.190 nan 0.000 0.453 52 I N 6.291 126.877 120.570 0.027 0.000 2.321 52 I HA 0.466 4.637 4.170 0.001 0.000 0.291 52 I C -0.436 175.727 176.117 0.077 0.000 0.998 52 I CA -0.265 61.055 61.300 0.033 0.000 1.227 52 I CB 1.486 39.469 38.000 -0.029 0.000 1.368 52 I HN 0.433 nan 8.210 nan 0.000 0.466 53 I N 5.375 126.016 120.570 0.118 0.000 2.354 53 I HA 0.178 4.349 4.170 0.001 0.000 0.286 53 I C 0.014 176.254 176.117 0.206 0.000 1.007 53 I CA -0.474 60.901 61.300 0.125 0.000 1.167 53 I CB 1.073 39.122 38.000 0.081 0.000 1.320 53 I HN 0.507 nan 8.210 nan 0.000 0.458 54 D N 6.916 127.443 120.400 0.212 0.000 2.371 54 D HA 0.059 4.700 4.640 0.001 0.000 0.256 54 D C 0.861 177.153 176.300 -0.014 0.000 1.193 54 D CA -0.038 54.038 54.000 0.128 0.000 0.881 54 D CB 1.086 41.965 40.800 0.131 0.000 1.143 54 D HN 0.382 nan 8.370 nan 0.000 0.473 55 M N 3.279 122.806 119.600 -0.122 0.000 2.562 55 M HA -0.069 4.412 4.480 0.001 0.000 0.257 55 M C 1.064 177.312 176.300 -0.086 0.000 1.099 55 M CA 0.411 55.647 55.300 -0.107 0.000 1.099 55 M CB -0.597 31.908 32.600 -0.159 0.000 1.427 55 M HN 0.357 nan 8.290 nan 0.000 0.489 56 N N 0.431 119.074 118.700 -0.095 0.000 2.354 56 N HA -0.078 4.663 4.740 0.001 0.000 0.179 56 N C 0.306 175.801 175.510 -0.025 0.000 1.021 56 N CA 0.906 53.921 53.050 -0.059 0.000 0.887 56 N CB 0.124 38.569 38.487 -0.070 0.000 0.974 56 N HN 0.234 nan 8.380 nan 0.000 0.437 57 D N -0.290 120.102 120.400 -0.013 0.000 2.795 57 D HA 0.247 4.887 4.640 0.001 0.000 0.335 57 D C -1.887 174.422 176.300 0.015 0.000 1.262 57 D CA -1.998 52.005 54.000 0.006 0.000 0.885 57 D CB 0.752 41.563 40.800 0.017 0.000 1.047 57 D HN -0.028 nan 8.370 nan 0.000 0.500 58 P HA -0.052 nan 4.420 nan 0.000 0.223 58 P C 0.995 178.307 177.300 0.022 0.000 1.144 58 P CA 0.825 63.935 63.100 0.016 0.000 0.783 58 P CB 0.483 32.192 31.700 0.015 0.000 0.771 59 S N -1.695 114.017 115.700 0.019 0.000 2.503 59 S HA 0.093 4.563 4.470 0.001 0.000 0.215 59 S C 0.617 175.229 174.600 0.021 0.000 1.003 59 S CA 0.074 58.285 58.200 0.018 0.000 0.910 59 S CB -0.377 62.831 63.200 0.014 0.000 0.790 59 S HN 0.203 nan 8.310 nan 0.000 0.514 60 N N 2.678 121.392 118.700 0.024 0.000 3.114 60 N HA 0.283 5.023 4.740 0.001 0.000 0.289 60 N C -2.785 172.746 175.510 0.034 0.000 1.519 60 N CA -1.137 51.928 53.050 0.026 0.000 1.026 60 N CB 0.716 39.218 38.487 0.024 0.000 1.306 60 N HN 0.296 nan 8.380 nan 0.000 0.495 61 P HA 0.243 nan 4.420 nan 0.000 0.274 61 P C -0.220 177.101 177.300 0.035 0.000 1.237 61 P CA -0.475 62.651 63.100 0.043 0.000 0.793 61 P CB 1.149 32.874 31.700 0.042 0.000 0.977 62 I N -1.550 119.041 120.570 0.034 0.000 2.493 62 I HA 0.583 4.754 4.170 0.001 0.000 0.298 62 I C 0.064 176.194 176.117 0.022 0.000 0.998 62 I CA -1.260 60.055 61.300 0.025 0.000 1.137 62 I CB 2.019 40.033 38.000 0.023 0.000 1.310 62 I HN 0.115 nan 8.210 nan 0.000 0.445 63 R N 4.778 125.289 120.500 0.019 0.000 2.536 63 R HA 0.762 5.103 4.340 0.001 0.000 0.279 63 R C -0.685 175.622 176.300 0.012 0.000 1.001 63 R CA -0.970 55.139 56.100 0.015 0.000 1.027 63 R CB 1.791 32.099 30.300 0.014 0.000 1.096 63 R HN 0.677 nan 8.270 nan 0.000 0.502 64 R N 0.997 121.500 120.500 0.006 0.000 2.663 64 R HA 0.316 4.656 4.340 0.001 0.000 0.267 64 R C -2.829 173.464 176.300 -0.010 0.000 1.038 64 R CA -2.068 54.034 56.100 0.002 0.000 0.886 64 R CB 2.388 32.693 30.300 0.008 0.000 1.249 64 R HN 0.393 nan 8.270 nan 0.000 0.463 65 P HA 0.218 nan 4.420 nan 0.000 0.271 65 P C -0.776 176.495 177.300 -0.049 0.000 1.218 65 P CA -0.027 63.057 63.100 -0.025 0.000 0.780 65 P CB 0.444 32.131 31.700 -0.021 0.000 0.901 66 I N -2.368 118.173 120.570 -0.049 0.000 3.102 66 I HA 0.623 4.794 4.170 0.001 0.000 0.310 66 I C -0.919 175.165 176.117 -0.055 0.000 1.246 66 I CA -1.043 60.215 61.300 -0.070 0.000 0.979 66 I CB 2.518 40.480 38.000 -0.064 0.000 1.267 66 I HN 0.190 nan 8.210 nan 0.000 0.451 67 S N 2.006 117.669 115.700 -0.063 0.000 2.269 67 S HA 0.922 5.392 4.470 0.001 0.000 0.194 67 S C -0.497 174.074 174.600 -0.049 0.000 1.547 67 S CA -0.222 57.949 58.200 -0.049 0.000 1.186 67 S CB 0.605 63.777 63.200 -0.046 0.000 1.069 67 S HN 1.326 nan 8.310 nan 0.000 0.473 68 A N 2.087 124.883 122.820 -0.039 0.000 2.589 68 A HA 0.657 4.977 4.320 0.001 0.000 0.296 68 A C 0.148 177.714 177.584 -0.029 0.000 1.062 68 A CA -0.640 51.377 52.037 -0.033 0.000 0.686 68 A CB 0.937 19.932 19.000 -0.008 0.000 1.282 68 A HN 0.604 nan 8.150 nan 0.000 0.404 69 D N 0.166 120.536 120.400 -0.049 0.000 2.317 69 D HA 0.200 4.840 4.640 0.001 0.000 0.211 69 D C 0.486 176.767 176.300 -0.031 0.000 0.966 69 D CA 1.210 55.179 54.000 -0.052 0.000 0.876 69 D CB 0.376 41.126 40.800 -0.085 0.000 0.927 69 D HN 0.545 nan 8.370 nan 0.000 0.519 70 S N -1.372 114.333 115.700 0.008 0.000 2.543 70 S HA 0.664 5.135 4.470 0.001 0.000 0.273 70 S C -1.991 172.765 174.600 0.261 0.000 1.152 70 S CA -0.395 57.866 58.200 0.101 0.000 0.910 70 S CB 1.152 64.362 63.200 0.018 0.000 1.105 70 S HN 0.474 nan 8.310 nan 0.000 0.465 71 A N 4.129 127.090 122.820 0.236 0.000 2.381 71 A HA 0.796 5.116 4.320 0.001 0.000 0.299 71 A C -0.719 176.935 177.584 0.116 0.000 1.049 71 A CA -0.750 51.401 52.037 0.189 0.000 0.715 71 A CB 0.688 19.747 19.000 0.097 0.000 1.222 71 A HN 1.282 nan 8.150 nan 0.000 0.428 72 I N -0.092 120.494 120.570 0.027 0.000 2.468 72 I HA 0.547 4.718 4.170 0.001 0.000 0.285 72 I C -0.548 175.677 176.117 0.180 0.000 1.039 72 I CA -0.884 60.418 61.300 0.004 0.000 1.074 72 I CB 1.686 39.533 38.000 -0.254 0.000 1.228 72 I HN 0.389 nan 8.210 nan 0.000 0.436 73 M N 4.711 124.364 119.600 0.088 0.000 2.219 73 M HA 0.140 4.620 4.480 0.001 0.000 0.353 73 M C 0.525 176.662 176.300 -0.271 0.000 1.304 73 M CA 0.338 55.600 55.300 -0.062 0.000 1.115 73 M CB 0.297 32.807 32.600 -0.150 0.000 1.664 73 M HN 0.757 nan 8.290 nan 0.000 0.459 74 N N 4.621 122.890 118.700 -0.717 0.000 2.232 74 N HA -0.078 4.662 4.740 0.001 0.000 0.251 74 N C -1.850 173.293 175.510 -0.613 0.000 1.242 74 N CA -0.516 51.688 53.050 -1.411 0.000 0.837 74 N CB 0.869 38.696 38.487 -1.100 0.000 1.079 74 N HN 0.309 nan 8.380 nan 0.000 0.461 75 P HA -0.078 nan 4.420 nan 0.000 0.219 75 P C 0.119 177.371 177.300 -0.081 0.000 1.146 75 P CA 1.611 64.607 63.100 -0.174 0.000 0.808 75 P CB 0.287 31.915 31.700 -0.121 0.000 0.779 76 A N -2.605 120.154 122.820 -0.101 0.000 1.975 76 A HA 0.227 4.548 4.320 0.001 0.000 0.197 76 A C 1.371 179.006 177.584 0.086 0.000 1.537 76 A CA 0.288 52.312 52.037 -0.022 0.000 0.972 76 A CB -0.481 18.480 19.000 -0.064 0.000 1.019 76 A HN 0.120 nan 8.150 nan 0.000 0.488 77 S N 0.415 116.092 115.700 -0.038 0.000 2.632 77 S HA 0.316 4.787 4.470 0.001 0.000 0.267 77 S C 0.045 174.601 174.600 -0.074 0.000 1.276 77 S CA -0.517 57.657 58.200 -0.043 0.000 0.998 77 S CB 0.393 63.516 63.200 -0.129 0.000 0.953 77 S HN 0.227 nan 8.310 nan 0.000 0.547 78 K N 2.501 122.851 120.400 -0.084 0.000 3.000 78 K HA 0.223 4.543 4.320 0.001 0.000 0.265 78 K C -1.004 175.490 176.600 -0.177 0.000 1.260 78 K CA 0.087 56.268 56.287 -0.177 0.000 1.209 78 K CB -0.784 31.658 32.500 -0.096 0.000 1.484 78 K HN 0.260 nan 8.250 nan 0.000 0.283 79 V N 1.770 121.558 119.914 -0.210 0.000 2.709 79 V HA 0.476 4.596 4.120 0.001 0.000 0.308 79 V C -0.526 175.518 176.094 -0.083 0.000 1.062 79 V CA -1.046 61.177 62.300 -0.129 0.000 0.901 79 V CB 2.535 34.270 31.823 -0.145 0.000 1.003 79 V HN 0.329 nan 8.190 nan 0.000 0.425 80 I N 3.488 124.106 120.570 0.081 0.000 2.533 80 I HA 0.837 5.007 4.170 0.001 0.000 0.290 80 I C 0.092 176.349 176.117 0.233 0.000 1.056 80 I CA -0.487 60.895 61.300 0.137 0.000 1.057 80 I CB 1.783 39.833 38.000 0.083 0.000 1.240 80 I HN 0.726 nan 8.210 nan 0.000 0.423 81 A N 8.080 131.027 122.820 0.212 0.000 2.310 81 A HA 0.804 5.124 4.320 0.001 0.000 0.299 81 A C -1.148 176.557 177.584 0.202 0.000 1.147 81 A CA -0.377 51.709 52.037 0.082 0.000 0.818 81 A CB 0.602 19.343 19.000 -0.431 0.000 1.096 81 A HN 0.705 nan 8.150 nan 0.000 0.495 82 L N 2.364 123.830 121.223 0.405 0.000 2.431 82 L HA 0.595 4.936 4.340 0.001 0.000 0.266 82 L C -0.199 176.885 176.870 0.357 0.000 0.978 82 L CA -0.687 54.365 54.840 0.353 0.000 0.822 82 L CB 2.334 44.468 42.059 0.125 0.000 1.310 82 L HN 0.953 nan 8.230 nan 0.000 0.409 83 K N 1.945 122.438 120.400 0.155 0.000 2.482 83 K HA 0.916 5.237 4.320 0.001 0.000 0.257 83 K C -1.589 174.933 176.600 -0.130 0.000 0.969 83 K CA -0.797 55.430 56.287 -0.099 0.000 0.842 83 K CB 2.818 35.006 32.500 -0.519 0.000 1.359 83 K HN 0.553 nan 8.250 nan 0.000 0.441 84 A N 1.544 124.278 122.820 -0.143 0.000 2.763 84 A HA 0.608 4.928 4.320 0.001 0.000 0.325 84 A C 0.627 178.120 177.584 -0.152 0.000 1.209 84 A CA 0.104 52.065 52.037 -0.128 0.000 0.764 84 A CB -0.008 18.939 19.000 -0.088 0.000 1.120 84 A HN 1.340 nan 8.150 nan 0.000 0.463 85 G N 2.363 111.053 108.800 -0.183 0.000 3.274 85 G HA2 -0.378 3.582 3.960 0.001 0.000 0.313 85 G HA3 -0.378 3.582 3.960 0.001 0.000 0.313 85 G C 1.017 175.789 174.900 -0.214 0.000 1.295 85 G CA 0.966 45.959 45.100 -0.178 0.000 1.004 85 G HN 0.747 nan 8.290 nan 0.000 0.614 86 K N 0.873 121.160 120.400 -0.188 0.000 2.367 86 K HA 0.283 4.604 4.320 0.001 0.000 0.194 86 K C 0.305 176.772 176.600 -0.221 0.000 1.027 86 K CA 0.694 56.855 56.287 -0.211 0.000 1.075 86 K CB 0.594 32.983 32.500 -0.185 0.000 0.845 86 K HN 0.328 nan 8.250 nan 0.000 0.529 87 T N 2.428 116.870 114.554 -0.186 0.000 2.733 87 T HA 0.377 4.727 4.350 0.001 0.000 0.294 87 T C -0.336 174.295 174.700 -0.115 0.000 0.956 87 T CA -0.415 61.596 62.100 -0.150 0.000 0.987 87 T CB 0.645 69.450 68.868 -0.105 0.000 0.920 87 T HN 0.011 nan 8.240 nan 0.000 0.470 88 L N 3.654 124.829 121.223 -0.080 0.000 2.329 88 L HA 0.647 4.987 4.340 0.001 0.000 0.279 88 L C 0.003 177.027 176.870 0.257 0.000 1.014 88 L CA -0.898 53.979 54.840 0.062 0.000 0.814 88 L CB 1.714 43.723 42.059 -0.083 0.000 1.257 88 L HN 0.552 nan 8.230 nan 0.000 0.424 89 Q N 3.095 123.116 119.800 0.367 0.000 2.372 89 Q HA 0.645 4.985 4.340 0.001 0.000 0.273 89 Q C -1.774 174.453 176.000 0.379 0.000 1.078 89 Q CA -0.619 55.399 55.803 0.358 0.000 0.806 89 Q CB 2.724 31.590 28.738 0.214 0.000 1.332 89 Q HN 0.651 nan 8.270 nan 0.000 0.435 90 I N 3.560 124.314 120.570 0.306 0.000 2.378 90 I HA 0.442 4.612 4.170 0.001 0.000 0.291 90 I C -1.196 175.076 176.117 0.259 0.000 0.992 90 I CA -0.740 60.682 61.300 0.205 0.000 1.154 90 I CB 1.339 39.335 38.000 -0.006 0.000 1.315 90 I HN 0.582 nan 8.210 nan 0.000 0.448 91 F N 6.567 126.554 119.950 0.062 0.000 2.518 91 F HA 0.389 4.916 4.527 0.001 0.000 0.323 91 F C -0.057 175.745 175.800 0.004 0.000 1.129 91 F CA -0.716 57.306 58.000 0.035 0.000 0.920 91 F CB 1.368 40.392 39.000 0.041 0.000 1.160 91 F HN 0.369 nan 8.300 nan 0.000 0.440 92 N N 6.692 125.146 118.700 -0.411 0.000 2.406 92 N HA 0.145 4.886 4.740 0.001 0.000 0.251 92 N C 1.169 176.394 175.510 -0.475 0.000 1.069 92 N CA 0.193 53.038 53.050 -0.341 0.000 0.947 92 N CB 0.680 38.998 38.487 -0.281 0.000 1.111 92 N HN 0.837 nan 8.380 nan 0.000 0.497 93 I N 2.766 123.237 120.570 -0.164 0.000 2.179 93 I HA -0.281 3.890 4.170 0.001 0.000 0.242 93 I C 2.305 178.373 176.117 -0.082 0.000 1.088 93 I CA 1.248 62.532 61.300 -0.026 0.000 1.357 93 I CB -0.025 37.974 38.000 -0.003 0.000 1.051 93 I HN 0.689 nan 8.210 nan 0.000 0.409 94 E N 1.294 121.433 120.200 -0.103 0.000 2.216 94 E HA -0.182 4.168 4.350 0.001 0.000 0.192 94 E C 1.947 178.493 176.600 -0.090 0.000 0.988 94 E CA 0.938 57.294 56.400 -0.073 0.000 0.834 94 E CB -0.128 29.538 29.700 -0.057 0.000 0.772 94 E HN 0.472 nan 8.360 nan 0.000 0.479 95 M N 0.821 120.333 119.600 -0.146 0.000 2.505 95 M HA 0.157 4.637 4.480 0.001 0.000 0.230 95 M C -0.224 175.964 176.300 -0.187 0.000 1.153 95 M CA 0.096 55.308 55.300 -0.146 0.000 0.997 95 M CB 0.153 32.661 32.600 -0.153 0.000 1.606 95 M HN -0.121 nan 8.290 nan 0.000 0.481 96 K N 2.170 122.441 120.400 -0.214 0.000 3.415 96 K HA -0.170 4.150 4.320 0.001 0.000 0.271 96 K C -0.421 176.000 176.600 -0.298 0.000 0.876 96 K CA 0.733 56.911 56.287 -0.182 0.000 0.670 96 K CB -1.850 30.663 32.500 0.022 0.000 1.510 96 K HN 0.587 nan 8.250 nan 0.000 0.455 97 S N -0.680 114.597 115.700 -0.706 0.000 2.546 97 S HA 0.412 4.882 4.470 0.001 0.000 0.274 97 S C -0.684 173.577 174.600 -0.565 0.000 1.121 97 S CA -1.266 56.669 58.200 -0.441 0.000 0.887 97 S CB 2.411 65.478 63.200 -0.222 0.000 1.094 97 S HN 0.306 nan 8.310 nan 0.000 0.474 98 K N 2.264 122.627 120.400 -0.061 0.000 2.349 98 K HA 0.315 4.635 4.320 0.001 0.000 0.289 98 K C 0.781 177.402 176.600 0.035 0.000 1.064 98 K CA -0.334 56.036 56.287 0.138 0.000 0.947 98 K CB 0.260 32.905 32.500 0.241 0.000 1.007 98 K HN 0.801 nan 8.250 nan 0.000 0.478 99 M N 2.586 122.201 119.600 0.024 0.000 2.236 99 M HA 0.013 4.493 4.480 0.001 0.000 0.266 99 M C 0.514 176.841 176.300 0.045 0.000 1.070 99 M CA 1.270 56.574 55.300 0.005 0.000 1.137 99 M CB 0.184 32.769 32.600 -0.025 0.000 1.378 99 M HN 0.501 nan 8.290 nan 0.000 0.426 100 K N -0.989 119.472 120.400 0.100 0.000 2.597 100 K HA 0.668 4.989 4.320 0.001 0.000 0.282 100 K C -2.115 174.661 176.600 0.293 0.000 0.975 100 K CA -0.521 55.856 56.287 0.150 0.000 0.867 100 K CB 2.525 35.037 32.500 0.020 0.000 1.465 100 K HN 0.054 nan 8.250 nan 0.000 0.417 101 A N 1.476 124.524 122.820 0.380 0.000 2.604 101 A HA 0.673 4.994 4.320 0.001 0.000 0.295 101 A C -2.138 175.661 177.584 0.358 0.000 1.067 101 A CA -0.438 51.836 52.037 0.395 0.000 0.683 101 A CB 1.518 20.649 19.000 0.219 0.000 1.281 101 A HN 0.786 nan 8.150 nan 0.000 0.407 102 H N -0.432 118.655 119.070 0.029 0.000 3.086 102 H HA 0.628 5.185 4.556 0.001 0.000 0.353 102 H C -1.247 173.946 175.328 -0.224 0.000 1.134 102 H CA 0.097 56.042 56.048 -0.172 0.000 1.248 102 H CB 1.957 31.434 29.762 -0.475 0.000 1.878 102 H HN 0.552 nan 8.280 nan 0.000 0.527 103 T N 6.424 120.555 114.554 -0.706 0.000 2.770 103 T HA 0.264 4.615 4.350 0.001 0.000 0.297 103 T C 0.248 174.563 174.700 -0.643 0.000 0.997 103 T CA -0.831 60.964 62.100 -0.508 0.000 0.949 103 T CB 0.148 68.824 68.868 -0.321 0.000 0.941 103 T HN 0.372 nan 8.240 nan 0.000 0.457 104 M N 2.024 121.394 119.600 -0.382 0.000 2.240 104 M HA 0.156 4.637 4.480 0.001 0.000 0.333 104 M C 1.773 177.936 176.300 -0.229 0.000 1.110 104 M CA 0.187 55.323 55.300 -0.273 0.000 1.173 104 M CB 0.351 32.781 32.600 -0.282 0.000 1.458 104 M HN 0.510 nan 8.290 nan 0.000 0.458 105 T N 0.467 114.912 114.554 -0.181 0.000 2.812 105 T HA -0.036 4.314 4.350 0.001 0.000 0.264 105 T C 0.230 174.857 174.700 -0.122 0.000 1.042 105 T CA 1.031 63.052 62.100 -0.132 0.000 1.140 105 T CB 0.059 68.873 68.868 -0.090 0.000 0.870 105 T HN 0.558 nan 8.240 nan 0.000 0.445 106 D N 1.300 121.621 120.400 -0.133 0.000 2.268 106 D HA 0.325 4.965 4.640 0.001 0.000 0.249 106 D C -0.540 175.673 176.300 -0.146 0.000 1.008 106 D CA -0.589 53.344 54.000 -0.113 0.000 0.939 106 D CB 0.685 41.439 40.800 -0.077 0.000 1.170 106 D HN 0.018 nan 8.370 nan 0.000 0.468 107 D N -0.096 120.229 120.400 -0.124 0.000 2.423 107 D HA 0.097 4.738 4.640 0.001 0.000 0.238 107 D C -0.275 175.931 176.300 -0.156 0.000 1.142 107 D CA 0.039 53.951 54.000 -0.147 0.000 0.884 107 D CB 0.955 41.686 40.800 -0.116 0.000 1.199 107 D HN -0.091 nan 8.370 nan 0.000 0.438 108 V N 2.447 122.229 119.914 -0.220 0.000 2.368 108 V HA 0.115 4.235 4.120 0.001 0.000 0.266 108 V C 1.573 177.551 176.094 -0.192 0.000 1.045 108 V CA -0.150 62.015 62.300 -0.224 0.000 0.899 108 V CB 0.922 32.527 31.823 -0.363 0.000 1.006 108 V HN 0.747 nan 8.190 nan 0.000 0.470 109 T N 1.323 115.845 114.554 -0.054 0.000 3.044 109 T HA 0.208 4.558 4.350 0.001 0.000 0.255 109 T C 0.073 174.866 174.700 0.154 0.000 1.073 109 T CA 0.367 62.484 62.100 0.028 0.000 1.125 109 T CB 0.098 69.010 68.868 0.074 0.000 0.908 109 T HN 0.362 nan 8.240 nan 0.000 0.480 110 F N 1.774 121.729 119.950 0.008 0.000 2.596 110 F HA 0.547 5.074 4.527 0.001 0.000 0.311 110 F C -2.251 173.675 175.800 0.210 0.000 1.116 110 F CA -1.353 56.723 58.000 0.126 0.000 0.957 110 F CB 1.783 40.898 39.000 0.191 0.000 1.250 110 F HN 0.279 nan 8.300 nan 0.000 0.444 111 W N 5.545 126.471 121.300 -0.624 0.000 3.075 111 W HA 0.768 5.428 4.660 0.000 0.000 0.334 111 W C -2.302 173.906 176.519 -0.519 0.000 1.243 111 W CA -2.164 54.942 57.345 -0.398 0.000 1.170 111 W CB 1.059 30.383 29.460 -0.227 0.000 1.452 111 W HN 0.794 nan 8.180 nan 0.000 0.572 112 K N 1.192 121.471 120.400 -0.200 0.000 2.589 112 K HA 0.286 4.607 4.320 0.001 0.000 0.265 112 K C -1.932 174.577 176.600 -0.151 0.000 0.935 112 K CA -0.439 55.760 56.287 -0.147 0.000 0.850 112 K CB 1.475 34.084 32.500 0.180 0.000 1.372 112 K HN 0.520 nan 8.250 nan 0.000 0.420 113 W N 5.420 126.664 121.300 -0.093 0.000 2.356 113 W HA 0.233 4.894 4.660 0.000 0.000 0.311 113 W C 1.376 177.913 176.519 0.031 0.000 1.328 113 W CA -0.391 56.922 57.345 -0.053 0.000 1.251 113 W CB 0.408 29.823 29.460 -0.076 0.000 1.280 113 W HN 0.524 nan 8.180 nan 0.000 0.524 114 I N 0.625 121.343 120.570 0.247 0.000 3.956 114 I HA 0.279 4.449 4.170 0.001 0.000 0.333 114 I C 0.701 176.918 176.117 0.167 0.000 1.302 114 I CA -0.001 61.419 61.300 0.199 0.000 1.122 114 I CB -0.237 37.858 38.000 0.158 0.000 1.013 114 I HN 0.236 nan 8.210 nan 0.000 0.405 115 S N -0.250 115.570 115.700 0.200 0.000 2.755 115 S HA 0.428 4.898 4.470 0.001 0.000 0.286 115 S C 0.169 174.860 174.600 0.151 0.000 1.207 115 S CA -0.834 57.450 58.200 0.140 0.000 0.892 115 S CB 0.744 64.007 63.200 0.104 0.000 1.240 115 S HN 0.107 nan 8.310 nan 0.000 0.525 116 L N 0.804 122.062 121.223 0.059 0.000 2.395 116 L HA 0.191 4.531 4.340 0.001 0.000 0.218 116 L C 1.982 178.869 176.870 0.029 0.000 1.130 116 L CA 1.328 56.146 54.840 -0.037 0.000 0.826 116 L CB -0.665 41.359 42.059 -0.058 0.000 0.941 116 L HN 0.780 nan 8.230 nan 0.000 0.451 117 N N -1.422 117.359 118.700 0.134 0.000 2.332 117 N HA -0.009 4.731 4.740 0.001 0.000 0.190 117 N C -0.031 175.603 175.510 0.207 0.000 1.117 117 N CA 0.315 53.458 53.050 0.154 0.000 0.883 117 N CB 0.781 39.308 38.487 0.067 0.000 1.089 117 N HN -0.101 nan 8.380 nan 0.000 0.480 118 T N 0.628 115.312 114.554 0.218 0.000 2.786 118 T HA 0.419 4.770 4.350 0.001 0.000 0.283 118 T C -0.894 173.770 174.700 -0.059 0.000 0.992 118 T CA -0.535 61.598 62.100 0.054 0.000 0.954 118 T CB 1.961 70.837 68.868 0.014 0.000 0.934 118 T HN -0.213 nan 8.240 nan 0.000 0.440 119 V N 3.238 122.981 119.914 -0.284 0.000 2.406 119 V HA 0.583 4.703 4.120 0.001 0.000 0.272 119 V C 0.639 176.697 176.094 -0.061 0.000 1.043 119 V CA -0.965 61.087 62.300 -0.413 0.000 0.915 119 V CB 0.815 32.275 31.823 -0.604 0.000 0.988 119 V HN 1.062 nan 8.190 nan 0.000 0.466 120 A N 7.052 129.853 122.820 -0.033 0.000 2.362 120 A HA 0.720 5.040 4.320 0.001 0.000 0.276 120 A C -0.408 177.243 177.584 0.112 0.000 1.153 120 A CA -0.255 51.821 52.037 0.066 0.000 0.813 120 A CB 0.030 19.086 19.000 0.093 0.000 1.081 120 A HN 0.828 nan 8.150 nan 0.000 0.507 121 L N 3.460 124.762 121.223 0.133 0.000 2.325 121 L HA 0.495 4.835 4.340 0.001 0.000 0.281 121 L C -0.805 176.124 176.870 0.099 0.000 1.004 121 L CA -0.849 54.078 54.840 0.146 0.000 0.823 121 L CB 1.736 43.838 42.059 0.073 0.000 1.236 121 L HN 0.378 nan 8.230 nan 0.000 0.415 122 V N 1.682 121.670 119.914 0.123 0.000 2.370 122 V HA 0.471 4.591 4.120 0.001 0.000 0.283 122 V C 0.560 176.696 176.094 0.069 0.000 1.023 122 V CA -0.420 61.932 62.300 0.088 0.000 0.857 122 V CB 1.530 33.454 31.823 0.168 0.000 0.985 122 V HN 0.925 nan 8.190 nan 0.000 0.443 123 T N -0.211 114.373 114.554 0.050 0.000 2.889 123 T HA 0.324 4.674 4.350 0.001 0.000 0.278 123 T C 0.675 175.387 174.700 0.021 0.000 0.995 123 T CA -0.564 61.548 62.100 0.020 0.000 0.966 123 T CB 1.303 70.185 68.868 0.022 0.000 1.237 123 T HN 0.419 nan 8.240 nan 0.000 0.591 124 D N 0.154 120.559 120.400 0.009 0.000 2.219 124 D HA -0.022 4.618 4.640 0.001 0.000 0.205 124 D C 1.410 177.713 176.300 0.005 0.000 0.970 124 D CA 1.267 55.272 54.000 0.009 0.000 0.851 124 D CB -0.200 40.600 40.800 0.000 0.000 0.943 124 D HN 0.684 nan 8.370 nan 0.000 0.488 125 N N -0.966 117.736 118.700 0.003 0.000 2.332 125 N HA 0.338 5.078 4.740 0.001 0.000 0.190 125 N C 0.131 175.613 175.510 -0.046 0.000 1.117 125 N CA 0.126 53.170 53.050 -0.010 0.000 0.883 125 N CB 1.241 39.727 38.487 -0.003 0.000 1.089 125 N HN 0.006 nan 8.380 nan 0.000 0.480 126 A N -0.040 122.740 122.820 -0.066 0.000 2.581 126 A HA 0.693 5.014 4.320 0.001 0.000 0.290 126 A C -1.757 175.618 177.584 -0.347 0.000 1.119 126 A CA -0.534 51.345 52.037 -0.263 0.000 0.670 126 A CB 0.979 19.763 19.000 -0.360 0.000 1.280 126 A HN -0.130 nan 8.150 nan 0.000 0.425 127 V N 0.745 120.194 119.914 -0.774 0.000 2.495 127 V HA 0.602 4.723 4.120 0.001 0.000 0.298 127 V C -1.458 174.204 176.094 -0.720 0.000 1.031 127 V CA -0.311 61.555 62.300 -0.723 0.000 0.871 127 V CB 1.118 32.254 31.823 -1.146 0.000 0.988 127 V HN 0.720 nan 8.190 nan 0.000 0.432 128 Y N 2.163 122.304 120.300 -0.266 0.000 2.485 128 Y HA 0.571 5.122 4.550 0.001 0.000 0.345 128 Y C 0.252 176.225 175.900 0.122 0.000 0.998 128 Y CA -0.820 57.207 58.100 -0.122 0.000 1.059 128 Y CB 1.634 40.026 38.460 -0.114 0.000 1.234 128 Y HN 0.583 nan 8.280 nan 0.000 0.461 129 H N 0.979 120.128 119.070 0.132 0.000 2.481 129 H HA 0.150 4.707 4.556 0.001 0.000 0.333 129 H C -1.550 173.918 175.328 0.234 0.000 1.066 129 H CA -0.765 55.382 56.048 0.165 0.000 1.209 129 H CB 1.359 31.209 29.762 0.148 0.000 1.445 129 H HN 0.662 nan 8.280 nan 0.000 0.488 130 W N 4.162 125.513 121.300 0.085 0.000 2.424 130 W HA 0.219 4.880 4.660 0.000 0.000 0.318 130 W C -0.437 176.075 176.519 -0.011 0.000 1.016 130 W CA -1.080 56.267 57.345 0.003 0.000 1.268 130 W CB 1.526 30.954 29.460 -0.054 0.000 1.297 130 W HN 0.361 nan 8.180 nan 0.000 0.428 131 S N 6.504 122.208 115.700 0.006 0.000 2.505 131 S HA 0.082 4.552 4.470 0.001 0.000 0.276 131 S C 1.311 175.715 174.600 -0.327 0.000 1.274 131 S CA -0.348 57.791 58.200 -0.101 0.000 1.053 131 S CB 0.627 63.830 63.200 0.005 0.000 0.919 131 S HN 0.754 nan 8.310 nan 0.000 0.490 132 M N 4.071 123.512 119.600 -0.266 0.000 2.086 132 M HA -0.071 4.409 4.480 0.001 0.000 0.261 132 M C 1.061 177.260 176.300 -0.169 0.000 1.067 132 M CA 1.378 56.512 55.300 -0.277 0.000 1.116 132 M CB -0.414 32.153 32.600 -0.054 0.000 1.348 132 M HN 0.893 nan 8.290 nan 0.000 0.407 133 E N 0.787 120.938 120.200 -0.083 0.000 2.383 133 E HA 0.419 4.769 4.350 0.001 0.000 0.264 133 E C 0.364 176.944 176.600 -0.034 0.000 1.050 133 E CA 0.086 56.458 56.400 -0.046 0.000 0.896 133 E CB 0.504 30.192 29.700 -0.020 0.000 0.982 133 E HN 0.561 nan 8.360 nan 0.000 0.424 134 G N 2.247 111.038 108.800 -0.015 0.000 2.660 134 G HA2 -0.310 3.650 3.960 0.001 0.000 0.215 134 G HA3 -0.310 3.650 3.960 0.001 0.000 0.215 134 G C 0.199 175.113 174.900 0.023 0.000 1.345 134 G CA 0.127 45.232 45.100 0.008 0.000 0.877 134 G HN 0.704 nan 8.290 nan 0.000 0.549 135 E N -0.015 120.212 120.200 0.045 0.000 2.307 135 E HA 0.216 4.567 4.350 0.001 0.000 0.195 135 E C 1.750 178.415 176.600 0.107 0.000 0.975 135 E CA 0.669 57.111 56.400 0.071 0.000 0.878 135 E CB -0.081 29.656 29.700 0.061 0.000 0.845 135 E HN 1.024 nan 8.360 nan 0.000 0.488 136 S N 1.632 117.391 115.700 0.099 0.000 2.952 136 S HA -0.172 4.298 4.470 0.001 0.000 0.351 136 S C 0.227 174.953 174.600 0.209 0.000 1.211 136 S CA 0.152 58.429 58.200 0.128 0.000 1.002 136 S CB 0.298 63.569 63.200 0.118 0.000 0.702 136 S HN 0.153 nan 8.310 nan 0.000 0.495 137 Q N 2.501 122.374 119.800 0.122 0.000 2.396 137 Q HA 0.314 4.654 4.340 0.001 0.000 0.221 137 Q C -2.306 173.674 176.000 -0.033 0.000 1.025 137 Q CA -1.912 53.865 55.803 -0.043 0.000 0.946 137 Q CB -0.267 28.406 28.738 -0.108 0.000 1.224 137 Q HN 0.481 nan 8.270 nan 0.000 0.539 138 P HA 0.004 nan 4.420 nan 0.000 0.268 138 P C -1.121 176.226 177.300 0.079 0.000 1.205 138 P CA 0.126 63.160 63.100 -0.110 0.000 0.771 138 P CB 0.499 31.934 31.700 -0.442 0.000 0.858 139 V N 3.849 123.866 119.914 0.172 0.000 2.417 139 V HA 0.249 4.369 4.120 0.001 0.000 0.291 139 V C 0.507 176.610 176.094 0.015 0.000 1.024 139 V CA -0.756 61.608 62.300 0.106 0.000 0.861 139 V CB 1.359 33.225 31.823 0.073 0.000 0.985 139 V HN 0.437 nan 8.190 nan 0.000 0.436 140 K N 4.320 124.635 120.400 -0.141 0.000 2.378 140 K HA 0.194 4.515 4.320 0.001 0.000 0.288 140 K C 0.864 177.207 176.600 -0.427 0.000 1.057 140 K CA -0.346 55.573 56.287 -0.615 0.000 0.971 140 K CB 0.560 32.713 32.500 -0.579 0.000 0.975 140 K HN 0.554 nan 8.250 nan 0.000 0.475 141 M N 4.212 123.502 119.600 -0.518 0.000 2.357 141 M HA 0.111 4.591 4.480 0.001 0.000 0.266 141 M C 0.151 176.254 176.300 -0.329 0.000 1.095 141 M CA 0.915 56.003 55.300 -0.354 0.000 1.156 141 M CB -0.657 31.719 32.600 -0.374 0.000 1.365 141 M HN 0.565 nan 8.290 nan 0.000 0.447 142 F N -2.275 117.314 119.950 -0.603 0.000 2.744 142 F HA 0.504 5.032 4.527 0.001 0.000 0.311 142 F C -1.607 173.945 175.800 -0.414 0.000 1.144 142 F CA -1.872 55.728 58.000 -0.667 0.000 0.938 142 F CB 0.607 38.845 39.000 -1.270 0.000 1.292 142 F HN -0.196 nan 8.300 nan 0.000 0.444 143 D N 1.903 122.246 120.400 -0.095 0.000 2.210 143 D HA 0.284 4.924 4.640 0.001 0.000 0.249 143 D C -0.355 176.004 176.300 0.098 0.000 1.062 143 D CA -0.435 53.520 54.000 -0.075 0.000 0.891 143 D CB 1.715 42.493 40.800 -0.036 0.000 1.186 143 D HN 0.490 nan 8.370 nan 0.000 0.432 144 R N 0.932 121.456 120.500 0.040 0.000 2.590 144 R HA 0.047 4.387 4.340 0.001 0.000 0.274 144 R C 0.645 177.037 176.300 0.154 0.000 1.061 144 R CA -0.164 56.018 56.100 0.137 0.000 1.081 144 R CB 0.580 30.919 30.300 0.065 0.000 0.984 144 R HN 0.452 nan 8.270 nan 0.000 0.448 145 H N 0.895 120.026 119.070 0.103 0.000 2.562 145 H HA -0.002 4.555 4.556 0.001 0.000 0.352 145 H C 0.744 176.096 175.328 0.039 0.000 1.125 145 H CA 0.303 56.389 56.048 0.063 0.000 1.379 145 H CB 1.345 31.142 29.762 0.057 0.000 1.464 145 H HN 0.750 nan 8.280 nan 0.000 0.563 146 S N 1.953 117.400 115.700 -0.423 0.000 2.419 146 S HA -0.198 4.272 4.470 0.001 0.000 0.233 146 S C 2.037 176.600 174.600 -0.060 0.000 1.016 146 S CA 1.024 59.094 58.200 -0.216 0.000 0.974 146 S CB -0.412 62.633 63.200 -0.259 0.000 0.786 146 S HN 0.652 nan 8.310 nan 0.000 0.492 147 S N 1.925 117.684 115.700 0.098 0.000 2.469 147 S HA 0.119 4.590 4.470 0.001 0.000 0.238 147 S C 1.520 176.184 174.600 0.108 0.000 0.998 147 S CA 0.625 58.930 58.200 0.175 0.000 0.957 147 S CB -0.627 62.747 63.200 0.291 0.000 0.764 147 S HN 0.517 nan 8.310 nan 0.000 0.514 148 L N 0.783 122.073 121.223 0.113 0.000 2.607 148 L HA 0.384 4.725 4.340 0.001 0.000 0.228 148 L C 1.211 178.106 176.870 0.042 0.000 1.123 148 L CA 0.117 55.000 54.840 0.072 0.000 0.890 148 L CB -1.189 40.929 42.059 0.098 0.000 1.103 148 L HN 0.341 nan 8.230 nan 0.000 0.468 149 A N 0.253 123.089 122.820 0.026 0.000 2.520 149 A HA 0.409 4.729 4.320 0.001 0.000 0.245 149 A C 1.438 179.027 177.584 0.009 0.000 1.072 149 A CA 0.924 52.967 52.037 0.011 0.000 0.761 149 A CB -0.003 18.993 19.000 -0.007 0.000 1.004 149 A HN 0.611 nan 8.150 nan 0.000 0.499 150 G N 0.994 109.800 108.800 0.011 0.000 2.241 150 G HA2 -0.280 3.680 3.960 0.001 0.000 0.244 150 G HA3 -0.280 3.680 3.960 0.001 0.000 0.244 150 G C 0.608 175.517 174.900 0.014 0.000 0.998 150 G CA 0.180 45.285 45.100 0.010 0.000 0.621 150 G HN 1.116 nan 8.290 nan 0.000 0.519 151 C N 1.229 120.539 119.300 0.016 0.000 2.700 151 C HA 0.496 4.956 4.460 0.001 0.000 0.397 151 C C 1.072 176.079 174.990 0.028 0.000 1.301 151 C CA 0.048 59.075 59.018 0.016 0.000 2.219 151 C CB 0.784 28.533 27.740 0.015 0.000 2.699 151 C HN 0.610 nan 8.230 nan 0.000 0.669 152 Q N 1.361 121.178 119.800 0.028 0.000 2.296 152 Q HA 0.349 4.690 4.340 0.001 0.000 0.257 152 Q C -0.466 175.554 176.000 0.032 0.000 0.942 152 Q CA -0.378 55.455 55.803 0.048 0.000 0.939 152 Q CB 0.574 29.337 28.738 0.043 0.000 1.198 152 Q HN 0.509 nan 8.270 nan 0.000 0.429 153 I N 5.575 126.173 120.570 0.045 0.000 2.496 153 I HA -0.037 4.133 4.170 0.001 0.000 0.285 153 I C 1.137 177.190 176.117 -0.107 0.000 1.080 153 I CA 0.681 61.938 61.300 -0.072 0.000 1.404 153 I CB 0.476 38.386 38.000 -0.150 0.000 1.403 153 I HN 0.741 nan 8.210 nan 0.000 0.539 154 I N 2.573 123.049 120.570 -0.155 0.000 4.244 154 I HA 0.372 4.542 4.170 0.001 0.000 0.318 154 I C 0.463 176.601 176.117 0.036 0.000 1.282 154 I CA -0.079 61.203 61.300 -0.030 0.000 1.276 154 I CB 0.527 38.506 38.000 -0.034 0.000 1.183 154 I HN 0.560 nan 8.210 nan 0.000 0.431 155 N N -0.526 118.113 118.700 -0.102 0.000 2.591 155 N HA 0.437 5.178 4.740 0.001 0.000 0.263 155 N C -2.185 173.411 175.510 0.145 0.000 1.308 155 N CA -0.601 52.514 53.050 0.108 0.000 0.837 155 N CB 2.405 41.031 38.487 0.232 0.000 1.548 155 N HN 0.146 nan 8.380 nan 0.000 0.493 156 Y N 1.275 121.720 120.300 0.242 0.000 2.421 156 Y HA 0.571 5.121 4.550 0.001 0.000 0.339 156 Y C -1.377 174.729 175.900 0.343 0.000 0.996 156 Y CA -0.595 57.686 58.100 0.302 0.000 1.046 156 Y CB 0.998 39.683 38.460 0.374 0.000 1.226 156 Y HN 0.387 nan 8.280 nan 0.000 0.445 157 R N 3.211 123.620 120.500 -0.152 0.000 2.795 157 R HA 0.664 5.005 4.340 0.001 0.000 0.275 157 R C -1.289 174.956 176.300 -0.092 0.000 0.981 157 R CA -0.913 55.203 56.100 0.026 0.000 0.917 157 R CB 2.170 32.636 30.300 0.275 0.000 1.202 157 R HN 0.769 nan 8.270 nan 0.000 0.469 158 T N 1.069 115.656 114.554 0.055 0.000 2.906 158 T HA 0.216 4.567 4.350 0.001 0.000 0.295 158 T C -0.719 173.906 174.700 -0.125 0.000 1.061 158 T CA -0.799 61.265 62.100 -0.060 0.000 1.000 158 T CB 1.803 70.672 68.868 0.002 0.000 1.103 158 T HN 0.591 nan 8.240 nan 0.000 0.486 159 D N 1.159 121.207 120.400 -0.586 0.000 2.398 159 D HA 0.279 4.920 4.640 0.001 0.000 0.247 159 D C 1.384 177.640 176.300 -0.073 0.000 1.227 159 D CA -0.429 53.340 54.000 -0.385 0.000 0.980 159 D CB 0.874 41.352 40.800 -0.537 0.000 1.106 159 D HN 0.504 nan 8.370 nan 0.000 0.493 160 A N 0.571 123.397 122.820 0.011 0.000 1.972 160 A HA -0.193 4.128 4.320 0.001 0.000 0.219 160 A C 1.937 179.542 177.584 0.037 0.000 1.169 160 A CA 1.334 53.397 52.037 0.043 0.000 0.635 160 A CB -0.475 18.561 19.000 0.060 0.000 0.810 160 A HN 0.636 nan 8.150 nan 0.000 0.446 161 K N -1.091 119.328 120.400 0.032 0.000 2.404 161 K HA 0.143 4.463 4.320 0.001 0.000 0.194 161 K C -0.031 176.584 176.600 0.025 0.000 1.023 161 K CA 0.287 56.595 56.287 0.035 0.000 1.094 161 K CB 0.200 32.727 32.500 0.046 0.000 0.841 161 K HN 0.514 nan 8.250 nan 0.000 0.523 162 Q N 0.090 119.900 119.800 0.017 0.000 2.487 162 Q HA -0.215 4.125 4.340 0.001 0.000 0.279 162 Q C 0.258 176.257 176.000 -0.002 0.000 1.228 162 Q CA 0.445 56.275 55.803 0.044 0.000 0.873 162 Q CB -0.590 28.213 28.738 0.109 0.000 1.260 162 Q HN 0.129 nan 8.270 nan 0.000 0.471 163 K N -1.326 119.020 120.400 -0.090 0.000 2.354 163 K HA 0.102 4.422 4.320 0.001 0.000 0.194 163 K C -0.190 176.032 176.600 -0.629 0.000 1.045 163 K CA 0.706 56.813 56.287 -0.300 0.000 1.026 163 K CB 0.504 32.830 32.500 -0.291 0.000 0.866 163 K HN 0.215 nan 8.250 nan 0.000 0.530 164 W N 1.612 122.758 121.300 -0.256 0.000 2.683 164 W HA 0.476 5.137 4.660 0.001 0.000 0.329 164 W C -0.584 175.733 176.519 -0.336 0.000 1.037 164 W CA -0.537 56.605 57.345 -0.339 0.000 1.232 164 W CB 1.050 30.200 29.460 -0.518 0.000 1.390 164 W HN -0.282 nan 8.180 nan 0.000 0.465 165 L N 4.554 125.841 121.223 0.106 0.000 2.365 165 L HA 0.716 5.056 4.340 0.001 0.000 0.273 165 L C -0.990 175.993 176.870 0.187 0.000 1.000 165 L CA -1.304 53.630 54.840 0.157 0.000 0.819 165 L CB 1.774 44.071 42.059 0.397 0.000 1.284 165 L HN 0.260 nan 8.230 nan 0.000 0.418 166 L N 3.826 125.141 121.223 0.154 0.000 2.446 166 L HA 0.527 4.868 4.340 0.001 0.000 0.268 166 L C -1.387 175.650 176.870 0.278 0.000 0.975 166 L CA -0.295 54.664 54.840 0.199 0.000 0.848 166 L CB 1.696 43.895 42.059 0.234 0.000 1.225 166 L HN 0.464 nan 8.230 nan 0.000 0.410 167 L N 4.395 125.854 121.223 0.394 0.000 2.275 167 L HA 0.680 5.020 4.340 0.001 0.000 0.288 167 L C -0.360 176.636 176.870 0.209 0.000 1.046 167 L CA 0.491 55.583 54.840 0.418 0.000 0.805 167 L CB 1.624 43.969 42.059 0.477 0.000 1.193 167 L HN 0.671 nan 8.230 nan 0.000 0.426 168 T N 4.055 118.698 114.554 0.147 0.000 2.792 168 T HA 0.808 5.158 4.350 0.001 0.000 0.280 168 T C -0.100 174.619 174.700 0.031 0.000 0.990 168 T CA -0.472 61.680 62.100 0.085 0.000 0.960 168 T CB 1.421 70.352 68.868 0.104 0.000 0.939 168 T HN 0.822 nan 8.240 nan 0.000 0.439 169 G N 1.978 110.795 108.800 0.027 0.000 2.619 169 G HA2 0.802 4.763 3.960 0.001 0.000 0.296 169 G HA3 0.802 4.763 3.960 0.001 0.000 0.296 169 G C -1.099 173.807 174.900 0.009 0.000 1.334 169 G CA -0.955 44.151 45.100 0.012 0.000 0.934 169 G HN 0.912 nan 8.290 nan 0.000 0.476 170 I N -1.065 119.513 120.570 0.012 0.000 2.689 170 I HA 0.916 5.086 4.170 0.001 0.000 0.299 170 I C -0.128 175.978 176.117 -0.019 0.000 1.059 170 I CA -0.931 60.368 61.300 -0.002 0.000 1.055 170 I CB 2.435 40.464 38.000 0.049 0.000 1.243 170 I HN 0.711 nan 8.210 nan 0.000 0.425 171 S N 3.383 119.055 115.700 -0.047 0.000 2.752 171 S HA 0.918 5.388 4.470 0.001 0.000 0.284 171 S C -1.006 173.556 174.600 -0.063 0.000 1.189 171 S CA -0.474 57.701 58.200 -0.041 0.000 0.835 171 S CB 1.381 64.564 63.200 -0.028 0.000 1.192 171 S HN 1.299 nan 8.310 nan 0.000 0.506 172 A N 0.019 122.812 122.820 -0.046 0.000 2.330 172 A HA 0.869 5.189 4.320 0.001 0.000 0.327 172 A C -0.867 176.694 177.584 -0.039 0.000 1.155 172 A CA -0.529 51.478 52.037 -0.050 0.000 0.803 172 A CB 1.157 20.135 19.000 -0.037 0.000 1.208 172 A HN 0.762 nan 8.150 nan 0.000 0.477 173 Q N 1.129 120.904 119.800 -0.042 0.000 2.548 173 Q HA 0.312 4.652 4.340 0.001 0.000 0.232 173 Q C -1.415 174.566 176.000 -0.032 0.000 0.838 173 Q CA -0.459 55.325 55.803 -0.033 0.000 1.032 173 Q CB 1.521 30.240 28.738 -0.032 0.000 1.548 173 Q HN 0.714 nan 8.270 nan 0.000 0.479 174 Q N 1.489 121.274 119.800 -0.025 0.000 2.454 174 Q HA -0.275 4.065 4.340 0.001 0.000 0.307 174 Q C -0.715 175.269 176.000 -0.026 0.000 1.430 174 Q CA 0.358 56.148 55.803 -0.022 0.000 0.786 174 Q CB -1.659 27.067 28.738 -0.020 0.000 1.115 174 Q HN 0.989 nan 8.270 nan 0.000 0.389 175 N N 0.653 119.338 118.700 -0.025 0.000 2.805 175 N HA -0.255 4.485 4.740 0.001 0.000 0.280 175 N C -0.062 175.424 175.510 -0.040 0.000 0.982 175 N CA 1.816 54.849 53.050 -0.028 0.000 0.846 175 N CB -0.165 38.312 38.487 -0.018 0.000 0.932 175 N HN 0.538 nan 8.380 nan 0.000 0.583 176 R N -2.391 118.075 120.500 -0.057 0.000 2.707 176 R HA 0.423 4.764 4.340 0.001 0.000 0.272 176 R C -0.867 175.358 176.300 -0.125 0.000 1.011 176 R CA -0.935 55.113 56.100 -0.087 0.000 0.893 176 R CB 0.818 31.073 30.300 -0.075 0.000 1.233 176 R HN -0.166 nan 8.270 nan 0.000 0.464 177 V N 2.566 122.346 119.914 -0.223 0.000 2.421 177 V HA 0.073 4.193 4.120 0.001 0.000 0.271 177 V C 0.246 176.236 176.094 -0.173 0.000 1.031 177 V CA -0.178 61.926 62.300 -0.325 0.000 1.032 177 V CB 0.924 32.248 31.823 -0.831 0.000 1.009 177 V HN 0.527 nan 8.190 nan 0.000 0.477 178 V N 5.626 125.463 119.914 -0.129 0.000 2.532 178 V HA 0.890 5.010 4.120 0.001 0.000 0.295 178 V C 0.580 176.550 176.094 -0.207 0.000 1.041 178 V CA 0.108 62.327 62.300 -0.134 0.000 0.926 178 V CB 1.704 33.468 31.823 -0.100 0.000 0.992 178 V HN 0.891 nan 8.190 nan 0.000 0.457 179 G N 4.625 113.168 108.800 -0.429 0.000 2.416 179 G HA2 0.768 4.729 3.960 0.001 0.000 0.324 179 G HA3 0.768 4.729 3.960 0.001 0.000 0.324 179 G C -0.808 173.946 174.900 -0.243 0.000 1.194 179 G CA -0.124 44.719 45.100 -0.428 0.000 0.922 179 G HN 1.410 nan 8.290 nan 0.000 0.467 180 A N 2.833 125.579 122.820 -0.123 0.000 2.359 180 A HA 0.822 5.142 4.320 0.001 0.000 0.303 180 A C -0.387 177.175 177.584 -0.037 0.000 1.066 180 A CA -0.563 51.429 52.037 -0.075 0.000 0.730 180 A CB 1.251 20.231 19.000 -0.033 0.000 1.211 180 A HN 0.650 nan 8.150 nan 0.000 0.439 181 M N 1.483 121.048 119.600 -0.057 0.000 2.535 181 M HA 0.469 4.949 4.480 0.001 0.000 0.314 181 M C -0.491 175.783 176.300 -0.043 0.000 1.153 181 M CA -0.330 54.955 55.300 -0.026 0.000 0.924 181 M CB 2.498 35.066 32.600 -0.054 0.000 1.710 181 M HN 0.787 nan 8.290 nan 0.000 0.451 182 Q N 2.982 122.790 119.800 0.013 0.000 2.339 182 Q HA 0.493 4.833 4.340 0.001 0.000 0.268 182 Q C -2.030 173.938 176.000 -0.052 0.000 1.027 182 Q CA -0.756 55.032 55.803 -0.024 0.000 0.759 182 Q CB 1.822 30.606 28.738 0.077 0.000 1.244 182 Q HN 0.684 nan 8.270 nan 0.000 0.464 183 L N 5.361 126.510 121.223 -0.124 0.000 2.257 183 L HA 0.407 4.748 4.340 0.001 0.000 0.290 183 L C -1.816 175.000 176.870 -0.089 0.000 1.044 183 L CA -0.293 54.475 54.840 -0.120 0.000 0.810 183 L CB 0.707 42.616 42.059 -0.250 0.000 1.193 183 L HN 0.613 nan 8.230 nan 0.000 0.425 184 Y N 3.732 123.858 120.300 -0.290 0.000 2.352 184 Y HA 0.529 5.080 4.550 0.001 0.000 0.339 184 Y C -0.094 175.628 175.900 -0.296 0.000 0.992 184 Y CA -0.382 57.472 58.100 -0.410 0.000 1.100 184 Y CB 1.727 39.605 38.460 -0.971 0.000 1.192 184 Y HN 0.662 nan 8.280 nan 0.000 0.458 185 S N 5.170 120.224 115.700 -1.077 0.000 2.422 185 S HA 0.269 4.740 4.470 0.001 0.000 0.298 185 S C 0.605 174.431 174.600 -1.290 0.000 1.118 185 S CA -0.613 56.835 58.200 -1.253 0.000 1.083 185 S CB 0.560 63.156 63.200 -1.007 0.000 0.971 185 S HN 0.724 nan 8.310 nan 0.000 0.478 186 V N 4.676 124.077 119.914 -0.855 0.000 2.343 186 V HA -0.109 4.012 4.120 0.001 0.000 0.247 186 V C 1.880 177.770 176.094 -0.341 0.000 1.051 186 V CA 2.007 64.073 62.300 -0.390 0.000 1.036 186 V CB -0.430 31.272 31.823 -0.201 0.000 0.654 186 V HN 0.765 nan 8.190 nan 0.000 0.451 187 D N -0.457 119.691 120.400 -0.419 0.000 2.234 187 D HA -0.035 4.605 4.640 0.001 0.000 0.205 187 D C 2.332 178.486 176.300 -0.243 0.000 0.962 187 D CA 0.840 54.677 54.000 -0.271 0.000 0.855 187 D CB -0.072 40.581 40.800 -0.245 0.000 0.951 187 D HN 0.414 nan 8.370 nan 0.000 0.500 188 R N 0.397 120.694 120.500 -0.338 0.000 2.290 188 R HA 0.163 4.503 4.340 0.001 0.000 0.197 188 R C 0.184 176.341 176.300 -0.239 0.000 0.913 188 R CA -0.109 55.842 56.100 -0.248 0.000 1.040 188 R CB 0.417 30.575 30.300 -0.236 0.000 0.992 188 R HN -0.049 nan 8.270 nan 0.000 0.500 189 K N 0.746 120.937 120.400 -0.348 0.000 3.257 189 K HA -0.142 4.178 4.320 0.001 0.000 0.270 189 K C -1.190 175.313 176.600 -0.162 0.000 0.984 189 K CA 0.377 56.533 56.287 -0.219 0.000 0.739 189 K CB -1.543 30.952 32.500 -0.009 0.000 1.351 189 K HN 0.014 nan 8.250 nan 0.000 0.463 190 V N 0.472 120.159 119.914 -0.379 0.000 2.760 190 V HA 0.307 4.428 4.120 0.001 0.000 0.309 190 V C 0.056 176.037 176.094 -0.189 0.000 1.077 190 V CA -0.846 61.348 62.300 -0.176 0.000 0.910 190 V CB 2.269 34.001 31.823 -0.151 0.000 1.008 190 V HN 0.270 nan 8.190 nan 0.000 0.424 191 S N 2.840 118.543 115.700 0.005 0.000 2.509 191 S HA 0.662 5.133 4.470 0.001 0.000 0.297 191 S C -0.604 173.948 174.600 -0.079 0.000 1.118 191 S CA -0.556 57.643 58.200 -0.002 0.000 1.074 191 S CB 1.650 64.892 63.200 0.070 0.000 1.038 191 S HN 0.802 nan 8.310 nan 0.000 0.498 192 Q N 2.911 122.636 119.800 -0.125 0.000 2.309 192 Q HA 0.442 4.782 4.340 0.001 0.000 0.270 192 Q C -2.837 173.027 176.000 -0.227 0.000 1.023 192 Q CA -1.970 53.737 55.803 -0.159 0.000 0.758 192 Q CB 1.561 30.232 28.738 -0.113 0.000 1.247 192 Q HN 0.245 nan 8.270 nan 0.000 0.455 193 P HA 0.305 nan 4.420 nan 0.000 0.280 193 P C -0.906 176.262 177.300 -0.220 0.000 1.244 193 P CA -0.055 62.849 63.100 -0.325 0.000 0.784 193 P CB 1.045 32.451 31.700 -0.491 0.000 0.913 194 I N 0.900 121.345 120.570 -0.208 0.000 2.607 194 I HA 0.224 4.394 4.170 0.001 0.000 0.290 194 I C 0.259 176.239 176.117 -0.228 0.000 1.129 194 I CA -0.811 60.335 61.300 -0.257 0.000 1.042 194 I CB 2.726 40.483 38.000 -0.406 0.000 1.242 194 I HN 0.296 nan 8.210 nan 0.000 0.421 195 E N 4.809 124.901 120.200 -0.181 0.000 2.217 195 E HA 0.571 4.921 4.350 0.001 0.000 0.279 195 E C -0.434 176.092 176.600 -0.123 0.000 1.068 195 E CA -0.174 56.147 56.400 -0.132 0.000 0.882 195 E CB 0.863 30.522 29.700 -0.068 0.000 1.039 195 E HN 0.826 nan 8.360 nan 0.000 0.418 196 G N 3.050 111.756 108.800 -0.157 0.000 2.667 196 G HA2 0.202 4.163 3.960 0.001 0.000 0.294 196 G HA3 0.202 4.163 3.960 0.001 0.000 0.294 196 G C -0.923 173.924 174.900 -0.088 0.000 1.467 196 G CA -0.506 44.576 45.100 -0.030 0.000 0.852 196 G HN 0.653 nan 8.290 nan 0.000 0.521 197 H N 0.082 119.252 119.070 0.166 0.000 2.430 197 H HA 0.627 5.183 4.556 0.001 0.000 0.297 197 H C 1.213 176.641 175.328 0.166 0.000 1.016 197 H CA 1.015 57.167 56.048 0.173 0.000 1.294 197 H CB 1.209 31.111 29.762 0.233 0.000 1.465 197 H HN 0.769 nan 8.280 nan 0.000 0.547 198 A N 0.303 123.290 122.820 0.277 0.000 2.515 198 A HA 0.828 5.149 4.320 0.001 0.000 0.298 198 A C -1.392 176.266 177.584 0.124 0.000 1.059 198 A CA 0.008 52.154 52.037 0.181 0.000 0.698 198 A CB 1.408 20.498 19.000 0.151 0.000 1.289 198 A HN 0.355 nan 8.150 nan 0.000 0.404 199 A N 0.238 123.113 122.820 0.092 0.000 2.610 199 A HA 0.956 5.277 4.320 0.001 0.000 0.291 199 A C -0.565 177.029 177.584 0.017 0.000 1.086 199 A CA 0.103 52.143 52.037 0.005 0.000 0.677 199 A CB 1.280 20.305 19.000 0.042 0.000 1.278 199 A HN 2.217 nan 8.150 nan 0.000 0.414 200 S N -0.704 114.944 115.700 -0.086 0.000 2.547 200 S HA 0.761 5.231 4.470 0.001 0.000 0.270 200 S C -1.541 172.995 174.600 -0.108 0.000 1.150 200 S CA -0.480 57.719 58.200 -0.002 0.000 0.850 200 S CB 0.544 63.788 63.200 0.073 0.000 1.118 200 S HN 0.696 nan 8.310 nan 0.000 0.461 201 F N 1.807 121.863 119.950 0.177 0.000 2.380 201 F HA 0.836 5.363 4.527 0.001 0.000 0.321 201 F C 0.841 176.692 175.800 0.086 0.000 1.103 201 F CA 0.061 58.149 58.000 0.146 0.000 1.067 201 F CB 1.604 40.687 39.000 0.137 0.000 1.265 201 F HN 0.767 nan 8.300 nan 0.000 0.517 202 A N 0.855 123.821 122.820 0.243 0.000 2.604 202 A HA 0.582 4.903 4.320 0.001 0.000 0.295 202 A C -1.600 176.067 177.584 0.138 0.000 1.067 202 A CA -0.905 51.228 52.037 0.160 0.000 0.683 202 A CB 1.607 20.669 19.000 0.102 0.000 1.281 202 A HN 0.513 nan 8.150 nan 0.000 0.407 203 Q N 0.586 120.467 119.800 0.135 0.000 2.256 203 Q HA 0.560 4.901 4.340 0.001 0.000 0.254 203 Q C -1.740 174.369 176.000 0.181 0.000 0.916 203 Q CA 0.104 55.981 55.803 0.124 0.000 0.932 203 Q CB 1.735 30.526 28.738 0.088 0.000 1.207 203 Q HN 0.588 nan 8.270 nan 0.000 0.426 204 F N 1.913 121.862 119.950 -0.002 0.000 2.557 204 F HA 0.323 4.850 4.527 0.001 0.000 0.316 204 F C -0.591 175.239 175.800 0.051 0.000 1.141 204 F CA -1.059 56.952 58.000 0.018 0.000 0.922 204 F CB 1.479 40.470 39.000 -0.014 0.000 1.194 204 F HN 0.193 nan 8.300 nan 0.000 0.443 205 K N 7.022 127.037 120.400 -0.643 0.000 2.250 205 K HA 0.360 4.680 4.320 0.001 0.000 0.285 205 K C -0.665 175.637 176.600 -0.497 0.000 1.097 205 K CA -0.050 55.980 56.287 -0.427 0.000 0.913 205 K CB 0.205 32.517 32.500 -0.313 0.000 1.179 205 K HN 0.706 nan 8.250 nan 0.000 0.462 206 M N 4.235 123.765 119.600 -0.117 0.000 2.188 206 M HA 0.037 4.517 4.480 0.001 0.000 0.354 206 M C 0.450 176.744 176.300 -0.009 0.000 1.342 206 M CA -0.030 55.296 55.300 0.042 0.000 1.117 206 M CB 0.577 33.291 32.600 0.190 0.000 1.670 206 M HN 0.549 nan 8.290 nan 0.000 0.466 207 E N 2.311 122.505 120.200 -0.010 0.000 2.415 207 E HA 0.153 4.504 4.350 0.001 0.000 0.263 207 E C 0.785 177.389 176.600 0.006 0.000 0.995 207 E CA 0.416 56.809 56.400 -0.013 0.000 0.915 207 E CB 0.193 29.890 29.700 -0.005 0.000 0.951 207 E HN 0.973 nan 8.360 nan 0.000 0.449 208 G N 3.127 111.927 108.800 0.000 0.000 2.143 208 G HA2 -0.256 3.705 3.960 0.001 0.000 0.249 208 G HA3 -0.256 3.705 3.960 0.001 0.000 0.249 208 G C -0.270 174.638 174.900 0.014 0.000 0.981 208 G CA 0.157 45.261 45.100 0.007 0.000 0.665 208 G HN 0.603 nan 8.290 nan 0.000 0.528 209 N N -0.232 118.478 118.700 0.016 0.000 2.456 209 N HA 0.718 5.458 4.740 0.001 0.000 0.296 209 N C 1.365 176.885 175.510 0.017 0.000 1.102 209 N CA 0.329 53.395 53.050 0.026 0.000 0.924 209 N CB 1.433 39.946 38.487 0.043 0.000 1.186 209 N HN 0.328 nan 8.380 nan 0.000 0.492 210 A N 2.294 125.127 122.820 0.021 0.000 1.851 210 A HA -0.113 4.208 4.320 0.001 0.000 0.216 210 A C 0.492 178.086 177.584 0.016 0.000 1.195 210 A CA 1.465 53.513 52.037 0.017 0.000 0.622 210 A CB -0.253 18.759 19.000 0.021 0.000 0.831 210 A HN 0.744 nan 8.150 nan 0.000 0.444 211 E N -0.928 119.287 120.200 0.025 0.000 2.281 211 E HA 0.406 4.756 4.350 0.001 0.000 0.262 211 E C -0.986 175.632 176.600 0.030 0.000 0.933 211 E CA -0.735 55.680 56.400 0.026 0.000 0.809 211 E CB 1.209 30.930 29.700 0.034 0.000 1.242 211 E HN 0.450 nan 8.360 nan 0.000 0.418 212 E N 0.559 120.775 120.200 0.025 0.000 2.415 212 E HA 0.100 4.450 4.350 0.001 0.000 0.262 212 E C -0.692 175.949 176.600 0.068 0.000 1.038 212 E CA 0.144 56.563 56.400 0.033 0.000 0.921 212 E CB 0.753 30.470 29.700 0.029 0.000 0.950 212 E HN 0.207 nan 8.360 nan 0.000 0.438 213 S N 1.114 116.876 115.700 0.104 0.000 2.610 213 S HA 0.205 4.675 4.470 0.001 0.000 0.273 213 S C -0.242 174.396 174.600 0.064 0.000 1.274 213 S CA -0.685 57.575 58.200 0.101 0.000 1.023 213 S CB 1.412 64.703 63.200 0.150 0.000 0.962 213 S HN 0.364 nan 8.310 nan 0.000 0.523 214 T N 3.619 118.186 114.554 0.023 0.000 2.753 214 T HA 0.408 4.758 4.350 0.001 0.000 0.297 214 T C -0.262 174.408 174.700 -0.050 0.000 0.981 214 T CA -0.335 61.772 62.100 0.011 0.000 0.956 214 T CB -0.163 68.704 68.868 -0.001 0.000 0.936 214 T HN 0.316 nan 8.240 nan 0.000 0.463 215 L N 3.522 124.723 121.223 -0.037 0.000 2.322 215 L HA 0.633 4.973 4.340 0.001 0.000 0.279 215 L C -0.557 176.342 176.870 0.048 0.000 1.036 215 L CA -1.055 53.703 54.840 -0.137 0.000 0.807 215 L CB 1.212 43.062 42.059 -0.350 0.000 1.226 215 L HN 0.514 nan 8.230 nan 0.000 0.433 216 F N 2.893 122.727 119.950 -0.194 0.000 2.467 216 F HA 0.484 5.011 4.527 0.001 0.000 0.336 216 F C -0.576 175.114 175.800 -0.184 0.000 1.123 216 F CA -1.113 56.719 58.000 -0.281 0.000 0.964 216 F CB 1.332 40.150 39.000 -0.303 0.000 1.136 216 F HN 0.414 nan 8.300 nan 0.000 0.447 217 C N 9.074 127.961 119.300 -0.689 0.000 2.340 217 C HA 0.813 5.273 4.460 0.001 0.000 0.323 217 C C -1.099 173.479 174.990 -0.686 0.000 1.260 217 C CA -0.712 57.959 59.018 -0.579 0.000 1.464 217 C CB -0.798 26.742 27.740 -0.335 0.000 2.156 217 C HN 0.755 nan 8.230 nan 0.000 0.476 218 F N 4.244 123.772 119.950 -0.703 0.000 2.565 218 F HA 0.874 5.401 4.527 0.001 0.000 0.313 218 F C -0.314 175.363 175.800 -0.205 0.000 1.091 218 F CA -0.808 56.916 58.000 -0.460 0.000 0.915 218 F CB 1.101 39.822 39.000 -0.465 0.000 1.208 218 F HN 0.734 nan 8.300 nan 0.000 0.453 219 A N 3.000 125.790 122.820 -0.049 0.000 2.317 219 A HA 0.802 5.122 4.320 0.001 0.000 0.327 219 A C -1.426 176.291 177.584 0.222 0.000 1.178 219 A CA -0.869 51.144 52.037 -0.040 0.000 0.817 219 A CB 1.554 20.520 19.000 -0.057 0.000 1.189 219 A HN 1.316 nan 8.150 nan 0.000 0.489 220 V N 2.879 122.930 119.914 0.228 0.000 2.808 220 V HA 0.592 4.712 4.120 0.001 0.000 0.308 220 V C -0.443 175.838 176.094 0.312 0.000 1.099 220 V CA -0.789 61.744 62.300 0.388 0.000 0.920 220 V CB 1.935 33.978 31.823 0.366 0.000 1.014 220 V HN 0.954 nan 8.190 nan 0.000 0.425 221 R N 4.341 125.056 120.500 0.358 0.000 2.565 221 R HA 0.553 4.893 4.340 0.001 0.000 0.286 221 R C 0.373 176.755 176.300 0.136 0.000 1.256 221 R CA 0.378 56.547 56.100 0.114 0.000 1.238 221 R CB 0.478 30.640 30.300 -0.230 0.000 1.153 221 R HN 0.968 nan 8.270 nan 0.000 0.553 222 G N 0.767 109.636 108.800 0.116 0.000 2.543 222 G HA2 -0.004 3.956 3.960 0.001 0.000 0.267 222 G HA3 -0.004 3.956 3.960 0.001 0.000 0.267 222 G C 0.213 175.137 174.900 0.040 0.000 1.406 222 G CA -0.327 44.821 45.100 0.080 0.000 1.048 222 G HN 0.569 nan 8.290 nan 0.000 0.548 223 Q N -0.956 118.863 119.800 0.032 0.000 2.123 223 Q HA 0.061 4.401 4.340 0.001 0.000 0.199 223 Q C 2.482 178.497 176.000 0.024 0.000 0.966 223 Q CA 0.955 56.768 55.803 0.017 0.000 0.845 223 Q CB -0.092 28.654 28.738 0.012 0.000 0.907 223 Q HN 0.518 nan 8.270 nan 0.000 0.439 224 A N 0.823 123.666 122.820 0.038 0.000 2.215 224 A HA 0.290 4.610 4.320 0.001 0.000 0.208 224 A C 0.935 178.548 177.584 0.048 0.000 1.296 224 A CA 0.712 52.775 52.037 0.043 0.000 0.918 224 A CB -1.312 17.720 19.000 0.054 0.000 0.806 224 A HN 0.420 nan 8.150 nan 0.000 0.490 225 G N -1.354 107.471 108.800 0.042 0.000 2.697 225 G HA2 0.151 4.112 3.960 0.001 0.000 0.240 225 G HA3 0.151 4.112 3.960 0.001 0.000 0.240 225 G C 0.519 175.477 174.900 0.097 0.000 1.346 225 G CA -0.276 44.856 45.100 0.054 0.000 0.887 225 G HN 1.600 nan 8.290 nan 0.000 0.569 226 G N 0.082 108.989 108.800 0.179 0.000 2.313 226 G HA2 0.487 4.447 3.960 0.001 0.000 0.250 226 G HA3 0.487 4.447 3.960 0.001 0.000 0.250 226 G C -0.074 174.887 174.900 0.101 0.000 1.281 226 G CA 0.495 45.754 45.100 0.265 0.000 0.917 226 G HN 0.613 nan 8.290 nan 0.000 0.501 227 K N 1.351 121.769 120.400 0.030 0.000 2.502 227 K HA 0.457 4.777 4.320 0.001 0.000 0.257 227 K C -1.437 174.975 176.600 -0.312 0.000 0.938 227 K CA -0.895 55.295 56.287 -0.161 0.000 0.819 227 K CB 2.867 35.267 32.500 -0.167 0.000 1.333 227 K HN 0.386 nan 8.250 nan 0.000 0.434 228 L N 2.070 122.976 121.223 -0.529 0.000 2.362 228 L HA 0.455 4.795 4.340 0.001 0.000 0.275 228 L C -1.039 175.332 176.870 -0.831 0.000 0.998 228 L CA -0.304 54.152 54.840 -0.639 0.000 0.820 228 L CB 1.217 42.863 42.059 -0.688 0.000 1.270 228 L HN 0.537 nan 8.230 nan 0.000 0.415 229 H N 6.036 124.655 119.070 -0.751 0.000 2.524 229 H HA 0.554 5.110 4.556 0.001 0.000 0.353 229 H C -0.994 174.042 175.328 -0.486 0.000 1.136 229 H CA -0.513 55.164 56.048 -0.618 0.000 1.193 229 H CB 2.339 31.591 29.762 -0.850 0.000 1.558 229 H HN 0.499 nan 8.280 nan 0.000 0.515 230 I N 5.180 125.657 120.570 -0.155 0.000 2.439 230 I HA 0.297 4.467 4.170 0.001 0.000 0.283 230 I C -0.072 176.049 176.117 0.007 0.000 1.023 230 I CA -0.485 60.739 61.300 -0.128 0.000 1.100 230 I CB 1.504 39.450 38.000 -0.090 0.000 1.238 230 I HN 0.391 nan 8.210 nan 0.000 0.445 231 I N 2.146 122.694 120.570 -0.036 0.000 2.730 231 I HA 0.568 4.738 4.170 0.001 0.000 0.298 231 I C -0.712 175.372 176.117 -0.056 0.000 1.089 231 I CA -0.659 60.670 61.300 0.047 0.000 1.041 231 I CB 2.452 40.520 38.000 0.114 0.000 1.235 231 I HN 0.554 nan 8.210 nan 0.000 0.423 232 E N 4.543 124.729 120.200 -0.023 0.000 2.316 232 E HA 0.392 4.742 4.350 0.001 0.000 0.275 232 E C -0.732 175.795 176.600 -0.120 0.000 1.029 232 E CA -0.711 55.639 56.400 -0.083 0.000 0.871 232 E CB 1.404 31.116 29.700 0.020 0.000 1.022 232 E HN 0.584 nan 8.360 nan 0.000 0.418 233 V N 2.384 122.137 119.914 -0.267 0.000 2.481 233 V HA 0.797 4.917 4.120 0.001 0.000 0.286 233 V C 0.784 176.603 176.094 -0.459 0.000 1.042 233 V CA 0.109 62.069 62.300 -0.567 0.000 0.928 233 V CB 0.406 31.495 31.823 -1.224 0.000 0.986 233 V HN 1.021 nan 8.190 nan 0.000 0.462 234 G N 3.743 112.387 108.800 -0.261 0.000 2.593 234 G HA2 -0.168 3.793 3.960 0.001 0.000 0.237 234 G HA3 -0.168 3.793 3.960 0.001 0.000 0.237 234 G C -0.064 174.886 174.900 0.082 0.000 1.312 234 G CA -0.157 45.015 45.100 0.120 0.000 0.896 234 G HN 1.244 nan 8.290 nan 0.000 0.574 235 T N 3.637 118.265 114.554 0.123 0.000 2.771 235 T HA 0.571 4.921 4.350 0.001 0.000 0.291 235 T C -1.778 172.970 174.700 0.080 0.000 0.954 235 T CA -0.216 61.934 62.100 0.085 0.000 1.045 235 T CB 1.223 70.139 68.868 0.080 0.000 0.917 235 T HN 0.585 nan 8.240 nan 0.000 0.484 236 P HA 0.204 nan 4.420 nan 0.000 0.267 236 P C -2.468 174.872 177.300 0.066 0.000 1.200 236 P CA -1.152 61.990 63.100 0.070 0.000 0.772 236 P CB -0.433 31.310 31.700 0.072 0.000 0.855 237 P HA 0.016 nan 4.420 nan 0.000 0.267 237 P C -0.406 176.922 177.300 0.047 0.000 1.200 237 P CA 0.237 63.371 63.100 0.056 0.000 0.772 237 P CB -0.030 31.702 31.700 0.054 0.000 0.855 238 T N 1.618 116.195 114.554 0.039 0.000 2.867 238 T HA 0.356 4.706 4.350 0.001 0.000 0.297 238 T C 1.345 176.064 174.700 0.031 0.000 0.989 238 T CA 0.909 63.028 62.100 0.033 0.000 1.159 238 T CB -0.228 68.657 68.868 0.027 0.000 0.928 238 T HN 0.834 nan 8.240 nan 0.000 0.538 239 G N 2.862 111.680 108.800 0.030 0.000 2.157 239 G HA2 -0.212 3.748 3.960 0.001 0.000 0.239 239 G HA3 -0.212 3.748 3.960 0.001 0.000 0.239 239 G C -0.129 174.791 174.900 0.034 0.000 0.982 239 G CA -0.591 44.525 45.100 0.028 0.000 0.650 239 G HN 0.674 nan 8.290 nan 0.000 0.527 240 N N 0.547 119.271 118.700 0.041 0.000 2.269 240 N HA 0.545 5.285 4.740 0.001 0.000 0.304 240 N C 0.088 175.630 175.510 0.054 0.000 1.072 240 N CA -0.528 52.553 53.050 0.053 0.000 0.802 240 N CB 1.233 39.759 38.487 0.066 0.000 1.348 240 N HN 0.652 nan 8.380 nan 0.000 0.484 241 Q N 0.805 120.640 119.800 0.059 0.000 2.260 241 Q HA 0.571 4.912 4.340 0.001 0.000 0.242 241 Q C -2.468 173.583 176.000 0.086 0.000 0.932 241 Q CA -1.661 54.177 55.803 0.060 0.000 0.891 241 Q CB 0.563 29.329 28.738 0.048 0.000 1.222 241 Q HN 0.271 nan 8.270 nan 0.000 0.453 242 P HA 0.067 nan 4.420 nan 0.000 0.275 242 P C -1.172 176.220 177.300 0.152 0.000 1.227 242 P CA -0.280 62.889 63.100 0.115 0.000 0.781 242 P CB 0.270 32.021 31.700 0.084 0.000 0.906 243 F N 4.951 124.928 119.950 0.046 0.000 2.504 243 F HA 0.269 4.797 4.527 0.001 0.000 0.369 243 F C -1.894 173.912 175.800 0.011 0.000 1.082 243 F CA -1.975 56.049 58.000 0.040 0.000 1.216 243 F CB 0.146 39.172 39.000 0.043 0.000 1.108 243 F HN 0.219 nan 8.300 nan 0.000 0.554 244 P HA 0.040 nan 4.420 nan 0.000 0.271 244 P C -0.994 176.234 177.300 -0.121 0.000 1.233 244 P CA -0.194 62.786 63.100 -0.200 0.000 0.764 244 P CB 0.470 32.004 31.700 -0.277 0.000 0.825 245 K N 3.463 123.910 120.400 0.078 0.000 2.548 245 K HA -0.043 4.277 4.320 0.001 0.000 0.277 245 K C 0.337 176.967 176.600 0.050 0.000 1.001 245 K CA 0.714 57.075 56.287 0.123 0.000 1.102 245 K CB 0.230 32.780 32.500 0.083 0.000 0.848 245 K HN 0.335 nan 8.250 nan 0.000 0.487 246 K N 1.126 121.572 120.400 0.078 0.000 2.316 246 K HA 0.576 4.896 4.320 0.001 0.000 0.251 246 K C -0.968 175.591 176.600 -0.068 0.000 0.934 246 K CA -0.810 55.468 56.287 -0.015 0.000 0.802 246 K CB 2.290 34.774 32.500 -0.026 0.000 1.171 246 K HN 0.606 nan 8.250 nan 0.000 0.426 247 A N 1.569 124.314 122.820 -0.126 0.000 2.414 247 A HA 0.590 4.910 4.320 0.001 0.000 0.286 247 A C -0.678 176.757 177.584 -0.249 0.000 1.073 247 A CA -0.711 51.158 52.037 -0.280 0.000 0.727 247 A CB 0.832 19.738 19.000 -0.156 0.000 1.215 247 A HN 0.477 nan 8.150 nan 0.000 0.430 248 V N -0.752 118.971 119.914 -0.318 0.000 3.102 248 V HA 0.713 4.834 4.120 0.001 0.000 0.312 248 V C -0.916 175.067 176.094 -0.185 0.000 1.135 248 V CA -1.087 61.098 62.300 -0.192 0.000 1.022 248 V CB 1.940 33.690 31.823 -0.121 0.000 1.056 248 V HN 0.649 nan 8.190 nan 0.000 0.436 249 D N 1.429 121.789 120.400 -0.068 0.000 2.345 249 D HA 0.492 5.132 4.640 0.001 0.000 0.247 249 D C -0.421 175.905 176.300 0.044 0.000 1.108 249 D CA 0.196 54.190 54.000 -0.011 0.000 0.894 249 D CB 1.901 42.724 40.800 0.038 0.000 1.203 249 D HN 0.529 nan 8.370 nan 0.000 0.430 250 V N 3.298 123.240 119.914 0.047 0.000 2.384 250 V HA 0.208 4.328 4.120 0.001 0.000 0.287 250 V C -0.237 175.872 176.094 0.024 0.000 1.020 250 V CA -0.929 61.410 62.300 0.065 0.000 0.850 250 V CB 1.209 33.001 31.823 -0.052 0.000 0.987 250 V HN 0.336 nan 8.190 nan 0.000 0.436 251 F N 5.978 125.836 119.950 -0.154 0.000 2.410 251 F HA 0.652 5.180 4.527 0.001 0.000 0.348 251 F C -0.721 174.785 175.800 -0.491 0.000 1.106 251 F CA -0.888 56.990 58.000 -0.202 0.000 1.163 251 F CB 0.595 39.493 39.000 -0.170 0.000 1.129 251 F HN 0.344 nan 8.300 nan 0.000 0.516 252 F N 6.699 126.185 119.950 -0.773 0.000 2.477 252 F HA 0.460 4.987 4.527 0.001 0.000 0.335 252 F C -2.064 173.065 175.800 -1.118 0.000 1.130 252 F CA -2.213 55.313 58.000 -0.790 0.000 0.948 252 F CB 1.030 39.736 39.000 -0.488 0.000 1.154 252 F HN 0.390 nan 8.300 nan 0.000 0.439 253 P HA 0.077 nan 4.420 nan 0.000 0.270 253 P C -1.915 175.236 177.300 -0.249 0.000 1.223 253 P CA -1.064 61.732 63.100 -0.507 0.000 0.785 253 P CB 0.244 31.841 31.700 -0.170 0.000 0.923 254 P HA -0.190 nan 4.420 nan 0.000 0.218 254 P C 0.959 178.249 177.300 -0.017 0.000 1.148 254 P CA 1.535 64.607 63.100 -0.046 0.000 0.822 254 P CB -0.149 31.556 31.700 0.008 0.000 0.784 255 E N -0.047 120.161 120.200 0.013 0.000 2.511 255 E HA 0.075 4.425 4.350 0.001 0.000 0.196 255 E C 0.514 177.181 176.600 0.112 0.000 1.066 255 E CA 0.237 56.679 56.400 0.070 0.000 0.871 255 E CB -0.296 29.467 29.700 0.104 0.000 0.863 255 E HN 0.118 nan 8.360 nan 0.000 0.520 256 A N 1.435 124.248 122.820 -0.011 0.000 3.218 256 A HA 0.238 4.559 4.320 0.001 0.000 0.321 256 A C 1.009 178.446 177.584 -0.245 0.000 1.012 256 A CA -0.558 51.377 52.037 -0.171 0.000 0.948 256 A CB 0.260 19.013 19.000 -0.413 0.000 1.050 256 A HN 0.072 nan 8.150 nan 0.000 0.492 257 Q N 0.147 119.910 119.800 -0.062 0.000 2.224 257 Q HA -0.097 4.243 4.340 0.001 0.000 0.203 257 Q C 0.614 176.562 176.000 -0.087 0.000 0.970 257 Q CA 1.146 56.907 55.803 -0.070 0.000 0.865 257 Q CB 0.109 28.848 28.738 0.002 0.000 0.922 257 Q HN 0.672 nan 8.270 nan 0.000 0.445 258 N N 0.403 119.109 118.700 0.009 0.000 2.214 258 N HA 0.039 4.779 4.740 0.001 0.000 0.214 258 N C -0.845 174.716 175.510 0.085 0.000 1.132 258 N CA 0.081 53.184 53.050 0.088 0.000 0.856 258 N CB 0.489 39.122 38.487 0.244 0.000 1.020 258 N HN 0.121 nan 8.380 nan 0.000 0.509 259 D N 0.728 120.892 120.400 -0.394 0.000 2.339 259 D HA 0.328 4.969 4.640 0.001 0.000 0.245 259 D C -0.347 175.742 176.300 -0.352 0.000 1.115 259 D CA -0.063 53.625 54.000 -0.521 0.000 0.917 259 D CB 0.628 40.908 40.800 -0.867 0.000 1.192 259 D HN 0.117 nan 8.370 nan 0.000 0.428 260 F N -1.447 118.282 119.950 -0.368 0.000 2.713 260 F HA 0.574 5.102 4.527 0.001 0.000 0.311 260 F C -2.973 172.739 175.800 -0.147 0.000 1.141 260 F CA -2.394 55.326 58.000 -0.468 0.000 0.939 260 F CB 0.797 39.354 39.000 -0.739 0.000 1.325 260 F HN 0.030 nan 8.300 nan 0.000 0.453 261 P HA 0.184 nan 4.420 nan 0.000 0.271 261 P C 0.499 177.806 177.300 0.011 0.000 1.220 261 P CA -0.130 62.979 63.100 0.015 0.000 0.768 261 P CB 1.431 33.204 31.700 0.122 0.000 0.848 262 V N 0.522 120.417 119.914 -0.032 0.000 3.484 262 V HA 0.660 4.780 4.120 0.001 0.000 0.252 262 V C 0.430 176.583 176.094 0.099 0.000 1.282 262 V CA 0.537 62.855 62.300 0.030 0.000 1.104 262 V CB -0.316 31.469 31.823 -0.063 0.000 0.868 262 V HN 0.490 nan 8.190 nan 0.000 0.457 263 A N 0.554 123.428 122.820 0.090 0.000 2.498 263 A HA 0.901 5.221 4.320 0.001 0.000 0.298 263 A C -1.038 176.617 177.584 0.119 0.000 1.075 263 A CA -0.548 51.559 52.037 0.117 0.000 0.714 263 A CB 2.258 21.326 19.000 0.114 0.000 1.299 263 A HN 0.393 nan 8.150 nan 0.000 0.407 264 M N 1.547 121.228 119.600 0.135 0.000 2.324 264 M HA 0.433 4.914 4.480 0.001 0.000 0.288 264 M C -1.839 174.566 176.300 0.175 0.000 1.097 264 M CA -0.403 54.984 55.300 0.144 0.000 0.928 264 M CB 2.048 34.703 32.600 0.092 0.000 1.648 264 M HN 0.774 nan 8.290 nan 0.000 0.460 265 Q N 4.509 124.454 119.800 0.241 0.000 2.397 265 Q HA 0.642 4.982 4.340 0.001 0.000 0.275 265 Q C -1.390 174.818 176.000 0.348 0.000 1.090 265 Q CA -0.566 55.397 55.803 0.266 0.000 0.809 265 Q CB 3.199 32.076 28.738 0.231 0.000 1.362 265 Q HN 0.792 nan 8.270 nan 0.000 0.431 266 I N 0.772 121.506 120.570 0.273 0.000 2.436 266 I HA 0.212 4.383 4.170 0.001 0.000 0.289 266 I C 0.131 176.398 176.117 0.250 0.000 1.010 266 I CA -0.709 60.722 61.300 0.218 0.000 1.098 266 I CB 2.090 40.168 38.000 0.129 0.000 1.266 266 I HN 0.387 nan 8.210 nan 0.000 0.434 267 S N 5.038 120.897 115.700 0.266 0.000 2.455 267 S HA 0.106 4.576 4.470 0.001 0.000 0.278 267 S C 1.139 175.833 174.600 0.157 0.000 1.216 267 S CA -0.309 58.052 58.200 0.270 0.000 1.055 267 S CB 0.414 63.847 63.200 0.388 0.000 0.939 267 S HN 0.548 nan 8.310 nan 0.000 0.494 268 E N 4.098 124.366 120.200 0.113 0.000 2.158 268 E HA -0.085 4.265 4.350 0.001 0.000 0.191 268 E C 1.745 178.354 176.600 0.015 0.000 0.982 268 E CA 0.523 56.969 56.400 0.077 0.000 0.823 268 E CB -0.039 29.700 29.700 0.064 0.000 0.766 268 E HN 0.644 nan 8.360 nan 0.000 0.468 269 K N 0.558 120.918 120.400 -0.067 0.000 2.026 269 K HA -0.146 4.174 4.320 0.001 0.000 0.208 269 K C 1.594 178.023 176.600 -0.285 0.000 1.048 269 K CA 1.169 57.313 56.287 -0.238 0.000 0.929 269 K CB 0.029 32.272 32.500 -0.428 0.000 0.713 269 K HN 0.286 nan 8.250 nan 0.000 0.439 270 H N -0.305 118.813 119.070 0.081 0.000 2.652 270 H HA 0.075 4.632 4.556 0.001 0.000 0.274 270 H C -0.391 174.984 175.328 0.078 0.000 1.021 270 H CA 0.037 56.126 56.048 0.068 0.000 1.187 270 H CB 0.509 30.305 29.762 0.058 0.000 1.505 270 H HN 0.206 nan 8.280 nan 0.000 0.530 271 D N 1.202 121.709 120.400 0.179 0.000 2.737 271 D HA -0.138 4.503 4.640 0.001 0.000 0.238 271 D C -0.599 175.773 176.300 0.119 0.000 1.157 271 D CA 0.366 54.484 54.000 0.197 0.000 0.694 271 D CB -1.338 39.660 40.800 0.331 0.000 1.021 271 D HN 0.110 nan 8.370 nan 0.000 0.420 272 V N 0.353 120.296 119.914 0.048 0.000 2.656 272 V HA 0.436 4.556 4.120 0.001 0.000 0.307 272 V C 0.278 176.236 176.094 -0.227 0.000 1.051 272 V CA -0.894 61.339 62.300 -0.112 0.000 0.893 272 V CB 2.600 34.306 31.823 -0.195 0.000 0.999 272 V HN -0.014 nan 8.190 nan 0.000 0.426 273 V N 5.316 125.113 119.914 -0.194 0.000 2.350 273 V HA 0.447 4.567 4.120 0.001 0.000 0.276 273 V C -0.512 175.482 176.094 -0.168 0.000 1.028 273 V CA -0.373 61.864 62.300 -0.105 0.000 0.860 273 V CB 0.871 32.693 31.823 -0.001 0.000 0.990 273 V HN 0.640 nan 8.190 nan 0.000 0.453 274 F N 5.568 125.603 119.950 0.143 0.000 2.411 274 F HA 0.558 5.085 4.527 0.001 0.000 0.355 274 F C -0.078 175.801 175.800 0.132 0.000 1.117 274 F CA -0.499 57.588 58.000 0.146 0.000 1.139 274 F CB 1.321 40.396 39.000 0.126 0.000 1.120 274 F HN 0.315 nan 8.300 nan 0.000 0.493 275 L N 5.831 127.237 121.223 0.304 0.000 2.325 275 L HA 0.573 4.914 4.340 0.001 0.000 0.281 275 L C -0.862 176.090 176.870 0.136 0.000 1.004 275 L CA -0.423 54.517 54.840 0.167 0.000 0.823 275 L CB 0.665 42.770 42.059 0.077 0.000 1.236 275 L HN 0.402 nan 8.230 nan 0.000 0.415 276 I N 3.808 124.444 120.570 0.109 0.000 2.392 276 I HA 0.398 4.569 4.170 0.001 0.000 0.295 276 I C 0.457 176.599 176.117 0.042 0.000 0.985 276 I CA -0.417 60.942 61.300 0.098 0.000 1.221 276 I CB 1.863 39.922 38.000 0.098 0.000 1.366 276 I HN 0.673 nan 8.210 nan 0.000 0.467 277 T N 1.416 116.009 114.554 0.065 0.000 2.944 277 T HA 0.285 4.636 4.350 0.001 0.000 0.284 277 T C 0.899 175.593 174.700 -0.011 0.000 1.010 277 T CA -0.696 61.411 62.100 0.012 0.000 1.025 277 T CB 2.301 71.226 68.868 0.096 0.000 1.079 277 T HN 0.577 nan 8.240 nan 0.000 0.516 278 K N 0.351 120.613 120.400 -0.229 0.000 2.059 278 K HA -0.157 4.164 4.320 0.001 0.000 0.212 278 K C 1.669 178.352 176.600 0.137 0.000 1.050 278 K CA 1.835 57.987 56.287 -0.224 0.000 0.927 278 K CB -0.978 31.123 32.500 -0.664 0.000 0.714 278 K HN 0.801 nan 8.250 nan 0.000 0.447 279 Y N -1.249 119.059 120.300 0.013 0.000 2.571 279 Y HA 0.008 4.558 4.550 0.001 0.000 0.294 279 Y C 1.338 177.298 175.900 0.101 0.000 1.141 279 Y CA 0.008 58.180 58.100 0.120 0.000 1.308 279 Y CB 0.411 39.040 38.460 0.282 0.000 1.002 279 Y HN 0.429 nan 8.280 nan 0.000 0.551 280 G N -1.137 107.813 108.800 0.250 0.000 2.138 280 G HA2 -0.263 3.697 3.960 0.001 0.000 0.193 280 G HA3 -0.263 3.697 3.960 0.001 0.000 0.193 280 G C -0.440 174.482 174.900 0.036 0.000 0.998 280 G CA -0.675 44.486 45.100 0.101 0.000 0.668 280 G HN 0.240 nan 8.290 nan 0.000 0.516 281 Y N -0.491 119.861 120.300 0.087 0.000 2.304 281 Y HA 0.660 5.211 4.550 0.001 0.000 0.327 281 Y C 0.842 176.817 175.900 0.125 0.000 1.209 281 Y CA -0.496 57.656 58.100 0.086 0.000 1.299 281 Y CB 1.027 39.562 38.460 0.125 0.000 1.249 281 Y HN 0.266 nan 8.280 nan 0.000 0.519 282 I N 2.814 123.557 120.570 0.290 0.000 2.474 282 I HA 0.376 4.547 4.170 0.001 0.000 0.294 282 I C -0.932 175.419 176.117 0.390 0.000 1.005 282 I CA -0.352 61.133 61.300 0.309 0.000 1.113 282 I CB 0.878 39.012 38.000 0.223 0.000 1.289 282 I HN 0.641 nan 8.210 nan 0.000 0.436 283 H N 6.966 126.107 119.070 0.118 0.000 2.622 283 H HA 0.516 5.072 4.556 0.001 0.000 0.363 283 H C -1.238 174.111 175.328 0.035 0.000 1.151 283 H CA -1.202 54.853 56.048 0.013 0.000 1.184 283 H CB 2.226 32.015 29.762 0.045 0.000 1.643 283 H HN 0.246 nan 8.280 nan 0.000 0.531 284 L N 3.185 124.383 121.223 -0.041 0.000 2.341 284 L HA 0.368 4.708 4.340 0.001 0.000 0.278 284 L C -1.126 175.535 176.870 -0.350 0.000 1.005 284 L CA -0.514 54.260 54.840 -0.111 0.000 0.818 284 L CB 1.154 43.172 42.059 -0.068 0.000 1.259 284 L HN 0.664 nan 8.230 nan 0.000 0.418 285 Y N 0.242 120.499 120.300 -0.072 0.000 2.477 285 Y HA 0.235 4.786 4.550 0.001 0.000 0.347 285 Y C 0.086 175.935 175.900 -0.085 0.000 0.981 285 Y CA -1.208 56.854 58.100 -0.063 0.000 1.033 285 Y CB 1.847 40.266 38.460 -0.067 0.000 1.245 285 Y HN 0.546 nan 8.280 nan 0.000 0.455 286 D N 1.964 122.418 120.400 0.090 0.000 2.383 286 D HA 0.035 4.675 4.640 0.001 0.000 0.252 286 D C 0.701 177.021 176.300 0.034 0.000 1.166 286 D CA -0.073 53.957 54.000 0.051 0.000 0.879 286 D CB 1.203 42.031 40.800 0.047 0.000 1.164 286 D HN 0.540 nan 8.370 nan 0.000 0.462 287 L N 3.832 125.056 121.223 0.001 0.000 2.141 287 L HA -0.013 4.327 4.340 0.001 0.000 0.209 287 L C 1.823 178.591 176.870 -0.170 0.000 1.094 287 L CA 1.717 56.506 54.840 -0.085 0.000 0.763 287 L CB -0.571 41.439 42.059 -0.081 0.000 0.908 287 L HN 0.727 nan 8.230 nan 0.000 0.437 288 E N -1.183 118.915 120.200 -0.170 0.000 2.072 288 E HA -0.179 4.172 4.350 0.001 0.000 0.190 288 E C 1.710 178.260 176.600 -0.084 0.000 0.982 288 E CA 1.643 57.924 56.400 -0.199 0.000 0.803 288 E CB 0.024 29.722 29.700 -0.002 0.000 0.755 288 E HN 0.667 nan 8.360 nan 0.000 0.453 289 T N -4.129 110.401 114.554 -0.040 0.000 3.015 289 T HA 0.287 4.638 4.350 0.001 0.000 0.250 289 T C 1.476 176.159 174.700 -0.028 0.000 1.057 289 T CA 0.567 62.640 62.100 -0.045 0.000 1.066 289 T CB 0.742 69.597 68.868 -0.021 0.000 0.959 289 T HN 0.314 nan 8.240 nan 0.000 0.488 290 G N 1.521 110.319 108.800 -0.003 0.000 2.159 290 G HA2 -0.255 3.706 3.960 0.001 0.000 0.256 290 G HA3 -0.255 3.706 3.960 0.001 0.000 0.256 290 G C 0.184 175.156 174.900 0.121 0.000 0.977 290 G CA 0.223 45.331 45.100 0.012 0.000 0.652 290 G HN 0.724 nan 8.290 nan 0.000 0.531 291 T N 0.628 115.235 114.554 0.088 0.000 2.888 291 T HA 0.316 4.667 4.350 0.001 0.000 0.301 291 T C 0.851 175.600 174.700 0.082 0.000 1.001 291 T CA 0.506 62.652 62.100 0.076 0.000 1.147 291 T CB 1.366 70.247 68.868 0.022 0.000 0.931 291 T HN 0.690 nan 8.240 nan 0.000 0.541 292 C N 5.131 124.429 119.300 -0.004 0.000 2.566 292 C HA 0.380 4.840 4.460 0.001 0.000 0.393 292 C C 1.636 176.507 174.990 -0.198 0.000 1.309 292 C CA -0.541 58.282 59.018 -0.325 0.000 1.801 292 C CB -1.974 25.556 27.740 -0.350 0.000 2.493 292 C HN 0.957 nan 8.230 nan 0.000 0.575 293 I N 3.691 124.145 120.570 -0.193 0.000 3.339 293 I HA 0.226 4.396 4.170 0.001 0.000 0.285 293 I C -0.233 175.954 176.117 0.118 0.000 1.201 293 I CA 0.304 61.601 61.300 -0.005 0.000 1.434 293 I CB 0.025 38.029 38.000 0.005 0.000 1.152 293 I HN 0.675 nan 8.210 nan 0.000 0.443 294 Y N 1.831 122.018 120.300 -0.188 0.000 2.521 294 Y HA 0.510 5.060 4.550 0.001 0.000 0.326 294 Y C -1.280 174.477 175.900 -0.239 0.000 1.176 294 Y CA -1.667 56.335 58.100 -0.162 0.000 1.079 294 Y CB 1.434 39.794 38.460 -0.167 0.000 1.341 294 Y HN -0.020 nan 8.280 nan 0.000 0.456 295 M N 5.386 124.429 119.600 -0.928 0.000 2.371 295 M HA 0.718 5.198 4.480 0.001 0.000 0.287 295 M C -2.324 173.499 176.300 -0.796 0.000 1.149 295 M CA -0.336 54.498 55.300 -0.776 0.000 0.929 295 M CB 2.524 34.650 32.600 -0.791 0.000 1.683 295 M HN 0.638 nan 8.290 nan 0.000 0.470 296 N N 1.305 119.754 118.700 -0.418 0.000 3.046 296 N HA 0.474 5.214 4.740 0.001 0.000 0.243 296 N C -2.146 173.275 175.510 -0.147 0.000 1.452 296 N CA -0.702 52.204 53.050 -0.240 0.000 0.882 296 N CB 2.646 40.980 38.487 -0.256 0.000 1.425 296 N HN 0.909 nan 8.380 nan 0.000 0.517 297 R N 1.509 121.809 120.500 -0.333 0.000 2.265 297 R HA 0.478 4.819 4.340 0.001 0.000 0.319 297 R C 0.839 176.912 176.300 -0.378 0.000 1.006 297 R CA -0.213 55.539 56.100 -0.580 0.000 0.880 297 R CB 0.217 29.976 30.300 -0.902 0.000 1.077 297 R HN 0.692 nan 8.270 nan 0.000 0.454 298 I N -0.432 119.931 120.570 -0.345 0.000 4.181 298 I HA 0.337 4.507 4.170 0.001 0.000 0.331 298 I C 0.122 176.110 176.117 -0.216 0.000 1.312 298 I CA -0.363 60.656 61.300 -0.469 0.000 1.146 298 I CB 1.044 38.655 38.000 -0.648 0.000 1.074 298 I HN 0.311 nan 8.210 nan 0.000 0.402 299 S N 0.556 116.185 115.700 -0.119 0.000 2.575 299 S HA 0.604 5.075 4.470 0.001 0.000 0.278 299 S C 0.734 175.316 174.600 -0.030 0.000 1.139 299 S CA -0.137 58.055 58.200 -0.012 0.000 0.954 299 S CB 1.650 64.877 63.200 0.044 0.000 1.054 299 S HN 0.313 nan 8.310 nan 0.000 0.483 300 G N 2.421 111.218 108.800 -0.005 0.000 2.534 300 G HA2 0.134 4.094 3.960 0.001 0.000 0.217 300 G HA3 0.134 4.094 3.960 0.001 0.000 0.217 300 G C 0.278 175.177 174.900 -0.002 0.000 1.128 300 G CA 0.497 45.591 45.100 -0.011 0.000 0.784 300 G HN 0.655 nan 8.290 nan 0.000 0.542 301 E N -0.383 119.834 120.200 0.029 0.000 2.359 301 E HA 0.286 4.636 4.350 0.001 0.000 0.266 301 E C -0.782 175.866 176.600 0.080 0.000 0.920 301 E CA -0.558 55.870 56.400 0.046 0.000 0.788 301 E CB 1.130 30.874 29.700 0.074 0.000 1.279 301 E HN -0.114 nan 8.360 nan 0.000 0.438 302 T N 1.544 116.158 114.554 0.099 0.000 2.867 302 T HA 0.140 4.490 4.350 0.001 0.000 0.297 302 T C 0.575 175.399 174.700 0.205 0.000 0.989 302 T CA 0.277 62.459 62.100 0.137 0.000 1.159 302 T CB -0.221 68.733 68.868 0.144 0.000 0.928 302 T HN 0.193 nan 8.240 nan 0.000 0.538 303 I N 5.353 126.005 120.570 0.137 0.000 2.291 303 I HA 0.173 4.344 4.170 0.001 0.000 0.292 303 I C 0.790 176.955 176.117 0.080 0.000 1.064 303 I CA -0.323 61.013 61.300 0.060 0.000 1.269 303 I CB 0.407 38.425 38.000 0.030 0.000 1.418 303 I HN 0.738 nan 8.210 nan 0.000 0.485 304 F N 5.521 125.550 119.950 0.132 0.000 2.720 304 F HA 0.517 5.044 4.527 0.001 0.000 0.301 304 F C 0.015 175.979 175.800 0.274 0.000 1.103 304 F CA -0.396 57.712 58.000 0.181 0.000 1.291 304 F CB 0.002 39.129 39.000 0.211 0.000 1.086 304 F HN 0.170 nan 8.300 nan 0.000 0.592 305 V N 1.349 121.077 119.914 -0.310 0.000 2.808 305 V HA 0.714 4.834 4.120 0.001 0.000 0.308 305 V C -0.805 175.236 176.094 -0.089 0.000 1.099 305 V CA 0.238 62.500 62.300 -0.064 0.000 0.920 305 V CB 2.131 33.914 31.823 -0.066 0.000 1.014 305 V HN 0.488 nan 8.190 nan 0.000 0.425 306 T N 3.104 117.676 114.554 0.030 0.000 2.883 306 T HA 0.973 5.324 4.350 0.001 0.000 0.296 306 T C -0.613 174.120 174.700 0.054 0.000 1.117 306 T CA -0.194 61.917 62.100 0.019 0.000 1.006 306 T CB 2.003 70.895 68.868 0.040 0.000 1.191 306 T HN 1.852 nan 8.240 nan 0.000 0.508 307 A N 1.394 124.230 122.820 0.026 0.000 2.587 307 A HA 0.880 5.200 4.320 0.001 0.000 0.293 307 A C -3.224 174.382 177.584 0.037 0.000 1.087 307 A CA -1.908 50.156 52.037 0.045 0.000 0.692 307 A CB 1.037 20.050 19.000 0.021 0.000 1.291 307 A HN 0.666 nan 8.150 nan 0.000 0.407 308 P HA 0.195 nan 4.420 nan 0.000 0.268 308 P C -0.876 176.480 177.300 0.094 0.000 1.204 308 P CA 0.489 63.637 63.100 0.080 0.000 0.768 308 P CB 0.218 31.975 31.700 0.095 0.000 0.842 309 H N 2.329 121.372 119.070 -0.045 0.000 2.741 309 H HA 0.165 4.721 4.556 0.001 0.000 0.282 309 H C 0.962 176.275 175.328 -0.025 0.000 1.122 309 H CA 0.020 56.032 56.048 -0.061 0.000 1.293 309 H CB 0.055 29.767 29.762 -0.083 0.000 1.415 309 H HN 0.428 nan 8.280 nan 0.000 0.472 310 E N 3.073 123.278 120.200 0.009 0.000 2.107 310 E HA -0.060 4.291 4.350 0.001 0.000 0.191 310 E C 1.754 178.298 176.600 -0.094 0.000 0.982 310 E CA 0.965 57.346 56.400 -0.032 0.000 0.809 310 E CB 0.260 29.950 29.700 -0.017 0.000 0.756 310 E HN 0.732 nan 8.360 nan 0.000 0.459 311 A N 0.676 123.387 122.820 -0.181 0.000 2.121 311 A HA -0.110 4.211 4.320 0.001 0.000 0.218 311 A C 2.103 179.593 177.584 -0.156 0.000 1.154 311 A CA 1.742 53.680 52.037 -0.165 0.000 0.679 311 A CB -0.349 18.542 19.000 -0.181 0.000 0.795 311 A HN 0.346 nan 8.150 nan 0.000 0.458 312 T N -6.064 108.369 114.554 -0.202 0.000 3.043 312 T HA 0.506 4.856 4.350 0.001 0.000 0.272 312 T C 0.789 175.530 174.700 0.070 0.000 0.990 312 T CA 0.980 63.035 62.100 -0.074 0.000 0.897 312 T CB 0.099 68.893 68.868 -0.124 0.000 1.111 312 T HN 1.707 nan 8.240 nan 0.000 0.529 313 A N 0.176 123.024 122.820 0.047 0.000 2.822 313 A HA 0.121 4.441 4.320 0.001 0.000 0.287 313 A C 0.941 178.681 177.584 0.260 0.000 1.479 313 A CA 0.979 53.102 52.037 0.144 0.000 0.779 313 A CB -2.012 17.054 19.000 0.110 0.000 1.022 313 A HN 1.249 nan 8.150 nan 0.000 0.532 314 G N -1.586 107.289 108.800 0.124 0.000 2.857 314 G HA2 0.697 4.657 3.960 0.001 0.000 0.217 314 G HA3 0.697 4.657 3.960 0.001 0.000 0.217 314 G C -0.174 174.588 174.900 -0.229 0.000 1.357 314 G CA -0.180 44.856 45.100 -0.107 0.000 1.033 314 G HN 1.208 nan 8.290 nan 0.000 0.571 315 I N -0.334 119.970 120.570 -0.443 0.000 2.545 315 I HA 0.693 4.863 4.170 0.001 0.000 0.292 315 I C -1.308 174.702 176.117 -0.178 0.000 1.040 315 I CA -1.103 60.028 61.300 -0.282 0.000 1.068 315 I CB 1.852 39.624 38.000 -0.380 0.000 1.251 315 I HN 0.415 nan 8.210 nan 0.000 0.424 316 I N 6.246 126.725 120.570 -0.153 0.000 2.740 316 I HA 0.862 5.032 4.170 0.001 0.000 0.303 316 I C -0.549 175.493 176.117 -0.125 0.000 1.044 316 I CA -0.329 60.847 61.300 -0.207 0.000 1.064 316 I CB 1.978 39.732 38.000 -0.410 0.000 1.249 316 I HN 0.687 nan 8.210 nan 0.000 0.433 317 G N 4.950 113.684 108.800 -0.112 0.000 2.692 317 G HA2 0.616 4.577 3.960 0.001 0.000 0.291 317 G HA3 0.616 4.577 3.960 0.001 0.000 0.291 317 G C -2.084 172.737 174.900 -0.132 0.000 1.423 317 G CA -0.478 44.559 45.100 -0.105 0.000 0.843 317 G HN 0.463 nan 8.290 nan 0.000 0.486 318 V N 1.391 121.156 119.914 -0.249 0.000 2.540 318 V HA 0.509 4.629 4.120 0.001 0.000 0.302 318 V C -0.543 175.347 176.094 -0.341 0.000 1.035 318 V CA -1.177 60.955 62.300 -0.280 0.000 0.873 318 V CB 1.518 33.124 31.823 -0.362 0.000 0.992 318 V HN 0.962 nan 8.190 nan 0.000 0.428 319 N N 3.734 122.418 118.700 -0.027 0.000 2.477 319 N HA 0.340 5.080 4.740 0.001 0.000 0.284 319 N C 0.723 176.479 175.510 0.411 0.000 1.182 319 N CA -0.977 52.175 53.050 0.170 0.000 0.949 319 N CB 0.864 39.432 38.487 0.135 0.000 1.204 319 N HN 0.307 nan 8.380 nan 0.000 0.526 320 R N 0.140 120.904 120.500 0.439 0.000 2.261 320 R HA -0.101 4.240 4.340 0.001 0.000 0.236 320 R C 0.622 177.024 176.300 0.171 0.000 1.141 320 R CA 1.031 57.296 56.100 0.275 0.000 1.001 320 R CB -0.255 30.139 30.300 0.156 0.000 0.866 320 R HN 0.689 nan 8.270 nan 0.000 0.468 321 K N -1.057 119.436 120.400 0.156 0.000 2.374 321 K HA 0.039 4.360 4.320 0.001 0.000 0.196 321 K C 0.532 177.195 176.600 0.106 0.000 1.023 321 K CA 0.592 56.942 56.287 0.106 0.000 1.103 321 K CB 0.522 33.070 32.500 0.081 0.000 0.848 321 K HN 0.314 nan 8.250 nan 0.000 0.528 322 G N 1.331 110.216 108.800 0.142 0.000 2.175 322 G HA2 -0.271 3.689 3.960 0.001 0.000 0.244 322 G HA3 -0.271 3.689 3.960 0.001 0.000 0.244 322 G C -0.316 174.634 174.900 0.085 0.000 0.982 322 G CA -0.140 45.031 45.100 0.118 0.000 0.641 322 G HN 0.396 nan 8.290 nan 0.000 0.527 323 Q N 0.098 119.945 119.800 0.079 0.000 2.286 323 Q HA 0.519 4.859 4.340 0.001 0.000 0.257 323 Q C -0.012 176.011 176.000 0.038 0.000 0.941 323 Q CA -0.408 55.427 55.803 0.054 0.000 0.912 323 Q CB 2.309 31.083 28.738 0.060 0.000 1.192 323 Q HN 0.163 nan 8.270 nan 0.000 0.410 324 V N 5.347 125.276 119.914 0.026 0.000 2.334 324 V HA 0.256 4.377 4.120 0.001 0.000 0.267 324 V C -0.107 176.016 176.094 0.049 0.000 1.040 324 V CA -0.251 62.056 62.300 0.011 0.000 0.866 324 V CB -0.055 31.768 31.823 -0.000 0.000 1.019 324 V HN 0.575 nan 8.190 nan 0.000 0.468 325 L N 4.497 125.743 121.223 0.039 0.000 2.334 325 L HA 0.857 5.197 4.340 0.001 0.000 0.272 325 L C 0.201 177.106 176.870 0.058 0.000 1.020 325 L CA -0.260 54.616 54.840 0.059 0.000 0.812 325 L CB 2.133 44.305 42.059 0.188 0.000 1.264 325 L HN 0.708 nan 8.230 nan 0.000 0.439 326 S N 1.027 116.765 115.700 0.064 0.000 2.588 326 S HA 0.855 5.325 4.470 0.001 0.000 0.275 326 S C -1.253 173.422 174.600 0.126 0.000 1.130 326 S CA -0.650 57.579 58.200 0.048 0.000 0.855 326 S CB 2.365 65.591 63.200 0.044 0.000 1.116 326 S HN 0.277 nan 8.310 nan 0.000 0.472 327 V N 1.481 121.431 119.914 0.060 0.000 2.668 327 V HA 0.679 4.799 4.120 0.001 0.000 0.304 327 V C -0.132 175.925 176.094 -0.062 0.000 1.071 327 V CA -0.514 61.826 62.300 0.067 0.000 0.894 327 V CB 1.025 32.888 31.823 0.067 0.000 1.008 327 V HN 1.480 nan 8.190 nan 0.000 0.425 328 C N 2.360 121.682 119.300 0.037 0.000 3.213 328 C HA 0.853 5.313 4.460 0.001 0.000 0.319 328 C C -0.099 174.951 174.990 0.101 0.000 1.386 328 C CA -1.038 58.020 59.018 0.067 0.000 1.494 328 C CB 1.255 29.045 27.740 0.084 0.000 1.905 328 C HN 0.560 nan 8.230 nan 0.000 0.456 329 V N 1.935 121.905 119.914 0.093 0.000 2.529 329 V HA 0.178 4.298 4.120 0.001 0.000 0.292 329 V C 0.489 176.512 176.094 -0.118 0.000 1.028 329 V CA 0.898 63.135 62.300 -0.105 0.000 1.074 329 V CB 0.586 32.110 31.823 -0.498 0.000 0.958 329 V HN 0.911 nan 8.190 nan 0.000 0.481 330 E N 4.035 124.160 120.200 -0.124 0.000 2.003 330 E HA 0.108 4.458 4.350 0.001 0.000 0.279 330 E C 0.981 177.526 176.600 -0.092 0.000 1.132 330 E CA 0.255 56.597 56.400 -0.096 0.000 0.888 330 E CB 0.544 30.177 29.700 -0.112 0.000 1.056 330 E HN 0.669 nan 8.360 nan 0.000 0.399 331 E N 3.097 123.262 120.200 -0.058 0.000 2.106 331 E HA -0.175 4.176 4.350 0.001 0.000 0.192 331 E C 0.832 177.429 176.600 -0.005 0.000 0.984 331 E CA 0.980 57.366 56.400 -0.024 0.000 0.806 331 E CB 0.235 29.959 29.700 0.041 0.000 0.750 331 E HN 0.625 nan 8.360 nan 0.000 0.458 332 E N 0.251 120.448 120.200 -0.006 0.000 2.358 332 E HA -0.054 4.296 4.350 0.001 0.000 0.195 332 E C 1.300 177.901 176.600 0.001 0.000 1.010 332 E CA 0.314 56.715 56.400 0.001 0.000 0.856 332 E CB 0.178 29.878 29.700 0.001 0.000 0.795 332 E HN 0.150 nan 8.360 nan 0.000 0.504 333 N N 0.500 119.192 118.700 -0.014 0.000 2.388 333 N HA 0.029 4.769 4.740 0.001 0.000 0.176 333 N C 1.660 177.184 175.510 0.024 0.000 1.062 333 N CA 0.142 53.192 53.050 -0.001 0.000 0.895 333 N CB 0.255 38.719 38.487 -0.039 0.000 1.018 333 N HN 0.139 nan 8.380 nan 0.000 0.456 334 I N 0.761 121.325 120.570 -0.010 0.000 2.226 334 I HA -0.193 3.977 4.170 0.001 0.000 0.245 334 I C 1.441 177.607 176.117 0.082 0.000 1.100 334 I CA 1.036 62.340 61.300 0.006 0.000 1.374 334 I CB 0.143 38.108 38.000 -0.059 0.000 1.057 334 I HN -0.090 nan 8.210 nan 0.000 0.413 335 I N 1.522 122.124 120.570 0.054 0.000 2.163 335 I HA -0.118 4.053 4.170 0.001 0.000 0.240 335 I C -0.153 175.995 176.117 0.051 0.000 1.081 335 I CA 1.607 62.937 61.300 0.051 0.000 1.353 335 I CB -3.186 34.836 38.000 0.035 0.000 1.054 335 I HN 0.174 nan 8.210 nan 0.000 0.407 336 P HA -0.224 nan 4.420 nan 0.000 0.216 336 P C 1.920 179.246 177.300 0.044 0.000 1.150 336 P CA 1.500 64.622 63.100 0.037 0.000 0.843 336 P CB -0.273 31.451 31.700 0.040 0.000 0.787 337 Y N 0.132 120.417 120.300 -0.024 0.000 2.145 337 Y HA -0.183 4.367 4.550 0.001 0.000 0.286 337 Y C 2.133 178.020 175.900 -0.021 0.000 1.145 337 Y CA 1.541 59.626 58.100 -0.025 0.000 1.148 337 Y CB -0.872 37.564 38.460 -0.039 0.000 0.981 337 Y HN -0.186 nan 8.280 nan 0.000 0.507 338 I N -0.789 119.798 120.570 0.029 0.000 2.286 338 I HA -0.284 3.886 4.170 0.001 0.000 0.245 338 I C 2.224 178.281 176.117 -0.099 0.000 1.104 338 I CA 1.668 62.938 61.300 -0.049 0.000 1.397 338 I CB -0.537 37.493 38.000 0.051 0.000 1.072 338 I HN 0.203 nan 8.210 nan 0.000 0.417 339 T N 0.727 115.246 114.554 -0.059 0.000 2.708 339 T HA -0.120 4.231 4.350 0.001 0.000 0.266 339 T C 1.559 176.207 174.700 -0.087 0.000 1.037 339 T CA 1.556 63.623 62.100 -0.056 0.000 1.146 339 T CB -0.133 68.718 68.868 -0.028 0.000 0.865 339 T HN 0.299 nan 8.240 nan 0.000 0.435 340 N N -0.170 118.462 118.700 -0.112 0.000 2.332 340 N HA 0.150 4.890 4.740 0.001 0.000 0.190 340 N C 1.657 177.071 175.510 -0.160 0.000 1.117 340 N CA 0.282 53.266 53.050 -0.110 0.000 0.883 340 N CB 0.475 38.920 38.487 -0.069 0.000 1.089 340 N HN 0.227 nan 8.380 nan 0.000 0.480 341 V N 0.882 120.625 119.914 -0.285 0.000 2.685 341 V HA 0.139 4.260 4.120 0.001 0.000 0.244 341 V C 2.084 177.964 176.094 -0.356 0.000 1.054 341 V CA 0.751 62.837 62.300 -0.358 0.000 1.076 341 V CB 0.030 31.495 31.823 -0.595 0.000 0.725 341 V HN 0.101 nan 8.190 nan 0.000 0.467 342 L N -0.771 120.207 121.223 -0.408 0.000 2.416 342 L HA 0.136 4.476 4.340 0.001 0.000 0.216 342 L C 0.985 177.759 176.870 -0.159 0.000 1.098 342 L CA 0.494 55.178 54.840 -0.259 0.000 0.840 342 L CB -0.068 41.855 42.059 -0.227 0.000 0.981 342 L HN 0.407 nan 8.230 nan 0.000 0.462 343 Q N 0.170 119.881 119.800 -0.149 0.000 2.487 343 Q HA -0.233 4.107 4.340 0.001 0.000 0.279 343 Q C -0.052 175.903 176.000 -0.075 0.000 1.228 343 Q CA 0.386 56.130 55.803 -0.099 0.000 0.873 343 Q CB -1.780 26.907 28.738 -0.085 0.000 1.260 343 Q HN 0.326 nan 8.270 nan 0.000 0.471 344 N N 0.513 119.169 118.700 -0.073 0.000 3.012 344 N HA 0.170 4.911 4.740 0.001 0.000 0.270 344 N C -1.823 173.666 175.510 -0.035 0.000 1.469 344 N CA -1.980 51.041 53.050 -0.049 0.000 0.928 344 N CB 0.909 39.369 38.487 -0.045 0.000 1.219 344 N HN 0.033 nan 8.380 nan 0.000 0.492 345 P HA -0.072 nan 4.420 nan 0.000 0.220 345 P C 0.639 177.932 177.300 -0.011 0.000 1.148 345 P CA 0.920 64.007 63.100 -0.021 0.000 0.803 345 P CB 0.703 32.390 31.700 -0.022 0.000 0.782 346 D N 0.053 120.445 120.400 -0.012 0.000 2.092 346 D HA -0.156 4.485 4.640 0.001 0.000 0.193 346 D C 2.037 178.338 176.300 0.002 0.000 0.994 346 D CA 1.027 55.023 54.000 -0.006 0.000 0.828 346 D CB -0.476 40.318 40.800 -0.010 0.000 0.963 346 D HN 0.086 nan 8.370 nan 0.000 0.450 347 L N 1.309 122.532 121.223 0.001 0.000 2.046 347 L HA -0.102 4.238 4.340 0.001 0.000 0.208 347 L C 2.253 179.136 176.870 0.021 0.000 1.077 347 L CA 1.854 56.701 54.840 0.012 0.000 0.747 347 L CB -0.798 41.267 42.059 0.009 0.000 0.896 347 L HN -0.061 nan 8.230 nan 0.000 0.432 348 A N -0.581 122.248 122.820 0.014 0.000 1.902 348 A HA -0.189 4.132 4.320 0.001 0.000 0.217 348 A C 2.381 179.979 177.584 0.023 0.000 1.181 348 A CA 1.931 53.981 52.037 0.021 0.000 0.623 348 A CB -0.950 18.058 19.000 0.012 0.000 0.818 348 A HN 0.528 nan 8.150 nan 0.000 0.443 349 L N -1.211 120.022 121.223 0.016 0.000 2.046 349 L HA -0.181 4.160 4.340 0.001 0.000 0.208 349 L C 2.750 179.635 176.870 0.025 0.000 1.077 349 L CA 1.931 56.781 54.840 0.017 0.000 0.747 349 L CB -0.333 41.732 42.059 0.010 0.000 0.896 349 L HN 0.378 nan 8.230 nan 0.000 0.432 350 R N 0.275 120.792 120.500 0.028 0.000 2.083 350 R HA -0.194 4.147 4.340 0.001 0.000 0.237 350 R C 2.160 178.494 176.300 0.056 0.000 1.137 350 R CA 2.043 58.168 56.100 0.041 0.000 0.951 350 R CB -0.598 29.729 30.300 0.044 0.000 0.851 350 R HN 0.351 nan 8.270 nan 0.000 0.434 351 M N -0.802 118.833 119.600 0.058 0.000 2.175 351 M HA -0.045 4.436 4.480 0.001 0.000 0.264 351 M C 2.242 178.578 176.300 0.060 0.000 1.063 351 M CA 1.804 57.146 55.300 0.071 0.000 1.119 351 M CB -0.292 32.350 32.600 0.070 0.000 1.377 351 M HN 0.267 nan 8.290 nan 0.000 0.415 352 A N -0.042 122.805 122.820 0.046 0.000 1.898 352 A HA -0.091 4.229 4.320 0.001 0.000 0.216 352 A C 2.248 179.851 177.584 0.032 0.000 1.181 352 A CA 1.480 53.540 52.037 0.038 0.000 0.620 352 A CB -0.995 18.022 19.000 0.029 0.000 0.819 352 A HN 0.274 nan 8.150 nan 0.000 0.442 353 V N 0.410 120.341 119.914 0.029 0.000 2.332 353 V HA -0.284 3.836 4.120 0.001 0.000 0.248 353 V C 2.404 178.510 176.094 0.020 0.000 1.055 353 V CA 2.236 64.549 62.300 0.022 0.000 1.038 353 V CB -0.855 30.981 31.823 0.021 0.000 0.651 353 V HN 0.542 nan 8.190 nan 0.000 0.450 354 R N 0.052 120.570 120.500 0.029 0.000 2.357 354 R HA 0.023 4.363 4.340 0.001 0.000 0.202 354 R C 0.516 176.824 176.300 0.013 0.000 1.047 354 R CA 0.322 56.433 56.100 0.018 0.000 1.034 354 R CB -0.591 29.731 30.300 0.038 0.000 0.875 354 R HN 0.732 nan 8.270 nan 0.000 0.473 355 N N 0.000 118.713 118.700 0.022 0.000 1.763 355 N HA 0.000 4.740 4.740 0.001 0.000 0.220 355 N CA 0.000 53.063 53.050 0.022 0.000 0.885 355 N CB 0.000 38.491 38.487 0.007 0.000 1.341 355 N HN 0.000 nan 8.380 nan 0.000 0.667