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 1nbm_1_C DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.584 177.584 0.000 0.000 1.274 19 A CA 0.000 52.037 52.037 0.001 0.000 0.836 19 A CB 0.000 19.000 19.000 0.001 0.000 0.831 20 D N 1.550 121.950 120.400 0.001 0.000 2.343 20 D HA 0.424 5.064 4.640 0.000 0.000 0.255 20 D C 0.485 176.785 176.300 0.001 0.000 1.187 20 D CA 1.158 55.159 54.000 0.001 0.000 0.875 20 D CB 0.732 41.533 40.800 0.002 0.000 1.136 20 D HN 0.688 nan 8.370 nan 0.000 0.469 21 T N -0.567 113.987 114.554 -0.000 0.000 3.604 21 T HA 0.069 4.419 4.350 0.000 0.000 0.305 21 T C 1.211 175.910 174.700 -0.003 0.000 0.978 21 T CA -0.406 61.693 62.100 -0.001 0.000 0.999 21 T CB -0.245 68.623 68.868 -0.001 0.000 1.204 21 T HN 0.214 nan 8.240 nan 0.000 0.476 22 S N 0.424 116.122 115.700 -0.003 0.000 2.446 22 S HA 0.136 4.606 4.470 0.000 0.000 0.225 22 S C 0.744 175.341 174.600 -0.006 0.000 1.016 22 S CA -0.050 58.147 58.200 -0.005 0.000 0.943 22 S CB -0.244 62.953 63.200 -0.004 0.000 0.786 22 S HN 0.377 nan 8.310 nan 0.000 0.508 23 V N 4.771 124.683 119.914 -0.003 0.000 2.270 23 V HA 0.339 4.460 4.120 0.000 0.000 0.263 23 V C -0.787 175.307 176.094 -0.001 0.000 1.066 23 V CA -0.796 61.502 62.300 -0.003 0.000 0.857 23 V CB 0.282 32.106 31.823 0.001 0.000 1.099 23 V HN 0.515 nan 8.190 nan 0.000 0.476 24 D N 4.651 125.048 120.400 -0.005 0.000 2.375 24 D HA 0.254 4.894 4.640 0.000 0.000 0.247 24 D C 0.750 177.044 176.300 -0.009 0.000 1.061 24 D CA -0.753 53.245 54.000 -0.004 0.000 0.834 24 D CB 2.482 43.277 40.800 -0.007 0.000 1.247 24 D HN 0.257 nan 8.370 nan 0.000 0.489 25 L N 1.040 122.263 121.223 -0.001 0.000 2.740 25 L HA -0.137 4.203 4.340 0.000 0.000 0.242 25 L C 1.645 178.490 176.870 -0.042 0.000 1.175 25 L CA 0.956 55.788 54.840 -0.013 0.000 0.859 25 L CB -0.476 41.587 42.059 0.006 0.000 0.992 25 L HN 0.469 nan 8.230 nan 0.000 0.454 26 E N -0.630 119.550 120.200 -0.033 0.000 2.251 26 E HA -0.045 4.305 4.350 0.000 0.000 0.194 26 E C 1.486 178.062 176.600 -0.040 0.000 0.964 26 E CA 0.304 56.681 56.400 -0.038 0.000 0.868 26 E CB 0.373 30.056 29.700 -0.027 0.000 0.828 26 E HN 0.363 nan 8.360 nan 0.000 0.481 27 E N 0.312 120.491 120.200 -0.036 0.000 2.465 27 E HA 0.058 4.408 4.350 0.000 0.000 0.209 27 E C 0.575 177.146 176.600 -0.048 0.000 0.951 27 E CA 0.549 56.926 56.400 -0.039 0.000 0.997 27 E CB 1.237 30.919 29.700 -0.030 0.000 1.025 27 E HN 0.204 nan 8.360 nan 0.000 0.500 28 T N -2.223 112.305 114.554 -0.045 0.000 2.864 28 T HA 0.810 5.160 4.350 0.000 0.000 0.289 28 T C 0.309 174.979 174.700 -0.050 0.000 1.082 28 T CA -0.668 61.401 62.100 -0.052 0.000 1.009 28 T CB 2.466 71.312 68.868 -0.035 0.000 1.234 28 T HN 0.009 nan 8.240 nan 0.000 0.526 29 G N -0.277 108.490 108.800 -0.055 0.000 2.687 29 G HA2 0.683 4.643 3.960 0.000 0.000 0.291 29 G HA3 0.683 4.643 3.960 0.000 0.000 0.291 29 G C -1.819 173.079 174.900 -0.002 0.000 1.420 29 G CA -1.158 43.925 45.100 -0.028 0.000 0.796 29 G HN 0.760 nan 8.290 nan 0.000 0.485 30 R N -0.123 120.413 120.500 0.059 0.000 2.532 30 R HA 0.458 4.799 4.340 0.000 0.000 0.297 30 R C -0.885 175.467 176.300 0.087 0.000 0.984 30 R CA -0.746 55.391 56.100 0.062 0.000 0.884 30 R CB 2.602 32.938 30.300 0.060 0.000 1.182 30 R HN 0.342 nan 8.270 nan 0.000 0.442 31 V N 5.412 125.380 119.914 0.089 0.000 2.493 31 V HA -0.065 4.055 4.120 0.000 0.000 0.292 31 V C 1.636 177.784 176.094 0.090 0.000 1.016 31 V CA 0.606 62.981 62.300 0.124 0.000 1.097 31 V CB 0.208 32.147 31.823 0.192 0.000 0.947 31 V HN 0.746 nan 8.190 nan 0.000 0.479 32 L N 3.903 125.179 121.223 0.088 0.000 2.084 32 L HA 0.094 4.434 4.340 0.000 0.000 0.202 32 L C 1.062 177.960 176.870 0.047 0.000 1.074 32 L CA 1.054 55.926 54.840 0.054 0.000 0.757 32 L CB -0.068 42.029 42.059 0.063 0.000 0.918 32 L HN 0.829 nan 8.230 nan 0.000 0.444 33 S N -0.981 114.755 115.700 0.059 0.000 2.569 33 S HA 0.679 5.149 4.470 0.000 0.000 0.280 33 S C -0.957 173.679 174.600 0.060 0.000 1.111 33 S CA -0.723 57.505 58.200 0.047 0.000 0.887 33 S CB 2.817 66.037 63.200 0.034 0.000 1.095 33 S HN 0.042 nan 8.310 nan 0.000 0.476 34 I N 0.403 120.998 120.570 0.042 0.000 2.571 34 I HA 0.843 5.013 4.170 0.000 0.000 0.289 34 I C -0.494 175.629 176.117 0.010 0.000 1.115 34 I CA 0.198 61.518 61.300 0.034 0.000 1.045 34 I CB 1.473 39.490 38.000 0.028 0.000 1.238 34 I HN 1.240 nan 8.210 nan 0.000 0.424 35 G N 4.753 113.555 108.800 0.003 0.000 2.716 35 G HA2 0.400 4.360 3.960 0.000 0.000 0.299 35 G HA3 0.400 4.360 3.960 0.000 0.000 0.299 35 G C -1.093 173.799 174.900 -0.013 0.000 1.450 35 G CA -0.527 44.569 45.100 -0.007 0.000 0.968 35 G HN 0.667 nan 8.290 nan 0.000 0.566 36 D N 0.140 120.528 120.400 -0.020 0.000 2.751 36 D HA -0.219 4.421 4.640 0.000 0.000 0.233 36 D C 1.682 177.966 176.300 -0.027 0.000 1.149 36 D CA 2.722 56.707 54.000 -0.024 0.000 0.682 36 D CB -1.043 39.742 40.800 -0.025 0.000 1.068 36 D HN 2.192 nan 8.370 nan 0.000 0.429 37 G N -1.057 107.725 108.800 -0.030 0.000 2.212 37 G HA2 -0.325 3.635 3.960 0.000 0.000 0.266 37 G HA3 -0.325 3.635 3.960 0.000 0.000 0.266 37 G C 0.311 175.211 174.900 -0.000 0.000 0.978 37 G CA 0.400 45.483 45.100 -0.028 0.000 0.632 37 G HN 0.467 nan 8.290 nan 0.000 0.537 38 I N 1.574 122.148 120.570 0.007 0.000 2.315 38 I HA 0.646 4.816 4.170 0.000 0.000 0.291 38 I C 0.600 176.752 176.117 0.059 0.000 1.006 38 I CA -0.828 60.492 61.300 0.034 0.000 1.265 38 I CB 0.910 38.919 38.000 0.014 0.000 1.387 38 I HN 0.390 nan 8.210 nan 0.000 0.475 39 A N 7.843 130.734 122.820 0.118 0.000 2.285 39 A HA 0.576 4.896 4.320 0.000 0.000 0.310 39 A C 0.037 177.710 177.584 0.148 0.000 1.266 39 A CA -0.791 51.347 52.037 0.168 0.000 0.832 39 A CB 0.629 19.833 19.000 0.341 0.000 1.163 39 A HN 0.527 nan 8.150 nan 0.000 0.499 40 R N 2.641 123.205 120.500 0.106 0.000 2.893 40 R HA 0.215 4.555 4.340 0.000 0.000 0.243 40 R C -0.286 176.071 176.300 0.095 0.000 1.481 40 R CA -0.092 56.058 56.100 0.083 0.000 1.250 40 R CB -0.288 30.051 30.300 0.064 0.000 1.213 40 R HN 0.490 nan 8.270 nan 0.000 0.609 41 V N 2.616 122.580 119.914 0.084 0.000 2.715 41 V HA 0.004 4.124 4.120 0.000 0.000 0.299 41 V C 0.603 176.738 176.094 0.068 0.000 1.054 41 V CA -0.279 62.058 62.300 0.062 0.000 1.077 41 V CB 0.710 32.520 31.823 -0.022 0.000 0.972 41 V HN 0.594 nan 8.190 nan 0.000 0.484 42 H N 1.980 121.046 119.070 -0.006 0.000 2.479 42 H HA 0.670 5.226 4.556 0.000 0.000 0.335 42 H C 0.415 175.731 175.328 -0.020 0.000 1.142 42 H CA 0.857 56.900 56.048 -0.008 0.000 1.234 42 H CB 1.315 31.076 29.762 -0.001 0.000 1.503 42 H HN 1.003 nan 8.280 nan 0.000 0.510 43 G N 2.607 111.043 108.800 -0.605 0.000 2.503 43 G HA2 -0.229 3.731 3.960 0.000 0.000 0.235 43 G HA3 -0.229 3.731 3.960 0.000 0.000 0.235 43 G C -0.238 174.549 174.900 -0.189 0.000 1.179 43 G CA -0.376 44.523 45.100 -0.335 0.000 0.944 43 G HN 1.265 nan 8.290 nan 0.000 0.580 44 L N -0.282 120.872 121.223 -0.115 0.000 3.677 44 L HA -0.184 4.156 4.340 0.000 0.000 0.464 44 L C 1.806 178.625 176.870 -0.085 0.000 1.278 44 L CA 0.730 55.515 54.840 -0.092 0.000 0.806 44 L CB -0.846 41.158 42.059 -0.093 0.000 1.610 44 L HN 0.646 nan 8.230 nan 0.000 0.867 45 R N 0.291 120.741 120.500 -0.083 0.000 2.346 45 R HA 0.061 4.401 4.340 0.000 0.000 0.199 45 R C 0.919 177.190 176.300 -0.049 0.000 1.015 45 R CA 0.311 56.370 56.100 -0.069 0.000 1.058 45 R CB -0.069 30.192 30.300 -0.065 0.000 0.921 45 R HN 0.538 nan 8.270 nan 0.000 0.475 46 N N 0.119 118.792 118.700 -0.047 0.000 2.240 46 N HA 0.025 4.765 4.740 0.000 0.000 0.240 46 N C -0.041 175.448 175.510 -0.036 0.000 1.277 46 N CA 0.049 53.077 53.050 -0.036 0.000 0.873 46 N CB 1.439 39.907 38.487 -0.032 0.000 1.222 46 N HN -0.050 nan 8.380 nan 0.000 0.507 47 V N -0.478 119.412 119.914 -0.041 0.000 2.881 47 V HA 0.362 4.482 4.120 0.000 0.000 0.303 47 V C 0.336 176.414 176.094 -0.026 0.000 1.070 47 V CA -0.584 61.693 62.300 -0.038 0.000 1.074 47 V CB 1.085 32.881 31.823 -0.045 0.000 1.012 47 V HN -0.004 nan 8.190 nan 0.000 0.482 48 Q N 1.834 121.622 119.800 -0.021 0.000 2.215 48 Q HA 0.714 5.055 4.340 0.000 0.000 0.256 48 Q C -0.007 175.991 176.000 -0.003 0.000 0.972 48 Q CA -0.635 55.161 55.803 -0.011 0.000 0.889 48 Q CB 1.862 30.595 28.738 -0.009 0.000 1.281 48 Q HN 1.112 nan 8.270 nan 0.000 0.456 49 A N 1.527 124.350 122.820 0.005 0.000 2.477 49 A HA 0.111 4.431 4.320 0.000 0.000 0.246 49 A C 0.046 177.644 177.584 0.023 0.000 1.078 49 A CA 0.157 52.204 52.037 0.017 0.000 0.770 49 A CB -0.182 18.831 19.000 0.021 0.000 1.011 49 A HN 0.958 nan 8.150 nan 0.000 0.494 50 E N -0.611 119.611 120.200 0.036 0.000 3.070 50 E HA -0.195 4.155 4.350 0.000 0.000 0.285 50 E C 0.076 176.690 176.600 0.024 0.000 0.972 50 E CA 1.191 57.620 56.400 0.049 0.000 0.915 50 E CB -1.306 28.424 29.700 0.049 0.000 1.466 50 E HN 0.890 nan 8.360 nan 0.000 0.432 51 E N 0.778 120.982 120.200 0.006 0.000 2.283 51 E HA 0.349 4.699 4.350 0.000 0.000 0.278 51 E C -0.078 176.500 176.600 -0.036 0.000 1.027 51 E CA -0.386 56.003 56.400 -0.018 0.000 0.843 51 E CB 0.888 30.574 29.700 -0.024 0.000 1.062 51 E HN 0.151 nan 8.360 nan 0.000 0.401 52 M N 4.961 124.522 119.600 -0.065 0.000 2.233 52 M HA 0.236 4.716 4.480 0.000 0.000 0.350 52 M C -0.762 175.483 176.300 -0.092 0.000 1.176 52 M CA -0.428 54.806 55.300 -0.111 0.000 1.150 52 M CB 0.776 33.282 32.600 -0.157 0.000 1.530 52 M HN 0.439 nan 8.290 nan 0.000 0.459 53 V N 1.434 121.290 119.914 -0.096 0.000 3.155 53 V HA 0.732 4.852 4.120 0.000 0.000 0.313 53 V C -1.236 174.809 176.094 -0.083 0.000 1.162 53 V CA -0.856 61.375 62.300 -0.115 0.000 1.048 53 V CB 2.093 33.803 31.823 -0.188 0.000 1.092 53 V HN 0.919 nan 8.190 nan 0.000 0.447 54 E N 0.408 120.542 120.200 -0.110 0.000 2.256 54 E HA 0.585 4.935 4.350 0.000 0.000 0.268 54 E C -1.791 174.776 176.600 -0.055 0.000 0.877 54 E CA -0.395 56.003 56.400 -0.004 0.000 0.757 54 E CB 2.385 32.084 29.700 -0.002 0.000 1.183 54 E HN 0.575 nan 8.360 nan 0.000 0.418 55 F N 0.830 120.782 119.950 0.003 0.000 2.368 55 F HA 0.074 4.601 4.527 0.000 0.000 0.315 55 F C 2.057 177.863 175.800 0.009 0.000 1.145 55 F CA -0.125 57.882 58.000 0.011 0.000 1.095 55 F CB 1.061 40.073 39.000 0.021 0.000 1.286 55 F HN 0.526 nan 8.300 nan 0.000 0.530 56 S N -0.712 115.108 115.700 0.201 0.000 2.383 56 S HA -0.204 4.266 4.470 0.000 0.000 0.229 56 S C 1.632 176.296 174.600 0.106 0.000 1.030 56 S CA 1.294 59.562 58.200 0.113 0.000 1.002 56 S CB -1.092 62.164 63.200 0.093 0.000 0.829 56 S HN 0.625 nan 8.310 nan 0.000 0.467 57 S N 0.597 116.376 115.700 0.132 0.000 2.660 57 S HA 0.422 4.892 4.470 0.000 0.000 0.223 57 S C 1.616 176.262 174.600 0.077 0.000 0.963 57 S CA 0.343 58.592 58.200 0.080 0.000 0.932 57 S CB -0.847 62.383 63.200 0.051 0.000 0.775 57 S HN 1.401 nan 8.310 nan 0.000 0.531 58 G N 0.339 109.199 108.800 0.101 0.000 2.189 58 G HA2 -0.279 3.681 3.960 0.000 0.000 0.267 58 G HA3 -0.279 3.681 3.960 0.000 0.000 0.267 58 G C -0.080 174.878 174.900 0.096 0.000 0.975 58 G CA 0.312 45.462 45.100 0.082 0.000 0.644 58 G HN 0.612 nan 8.290 nan 0.000 0.537 59 L N 1.446 122.740 121.223 0.118 0.000 2.360 59 L HA 0.554 4.894 4.340 0.000 0.000 0.276 59 L C 0.735 177.736 176.870 0.218 0.000 1.121 59 L CA -0.222 54.674 54.840 0.094 0.000 0.845 59 L CB 0.407 42.446 42.059 -0.032 0.000 1.143 59 L HN 0.218 nan 8.230 nan 0.000 0.452 60 K N 3.090 123.586 120.400 0.159 0.000 2.126 60 K HA 0.743 5.063 4.320 0.000 0.000 0.257 60 K C -0.026 176.703 176.600 0.215 0.000 1.007 60 K CA -0.263 56.112 56.287 0.147 0.000 0.928 60 K CB 1.146 33.634 32.500 -0.020 0.000 1.013 60 K HN 0.839 nan 8.250 nan 0.000 0.473 61 G N 0.479 109.386 108.800 0.178 0.000 2.682 61 G HA2 0.561 4.521 3.960 0.000 0.000 0.290 61 G HA3 0.561 4.521 3.960 0.000 0.000 0.290 61 G C -1.831 173.088 174.900 0.031 0.000 1.425 61 G CA -0.753 44.519 45.100 0.287 0.000 0.807 61 G HN 0.499 nan 8.290 nan 0.000 0.482 62 M N 1.125 120.841 119.600 0.192 0.000 2.259 62 M HA 0.559 5.039 4.480 0.000 0.000 0.304 62 M C -0.376 176.012 176.300 0.147 0.000 1.019 62 M CA -0.673 54.703 55.300 0.126 0.000 0.922 62 M CB 2.053 34.823 32.600 0.284 0.000 1.600 62 M HN 0.536 nan 8.290 nan 0.000 0.433 63 S N 3.757 119.500 115.700 0.070 0.000 2.430 63 S HA 0.250 4.721 4.470 0.000 0.000 0.282 63 S C 0.283 174.923 174.600 0.066 0.000 1.186 63 S CA -0.413 57.818 58.200 0.053 0.000 1.060 63 S CB 0.303 63.509 63.200 0.010 0.000 0.966 63 S HN 0.775 nan 8.310 nan 0.000 0.501 64 L N 5.224 126.490 121.223 0.072 0.000 2.500 64 L HA 0.521 4.861 4.340 0.000 0.000 0.219 64 L C -0.046 176.849 176.870 0.042 0.000 1.057 64 L CA 0.745 55.624 54.840 0.065 0.000 0.854 64 L CB 0.026 42.124 42.059 0.064 0.000 1.078 64 L HN 0.472 nan 8.230 nan 0.000 0.480 65 N N 0.048 118.768 118.700 0.033 0.000 2.407 65 N HA 0.472 5.212 4.740 0.000 0.000 0.277 65 N C -1.341 174.178 175.510 0.015 0.000 0.995 65 N CA -0.118 52.944 53.050 0.021 0.000 0.903 65 N CB 1.399 39.896 38.487 0.016 0.000 1.218 65 N HN -0.063 nan 8.380 nan 0.000 0.487 66 L N 2.183 123.411 121.223 0.009 0.000 2.277 66 L HA 0.454 4.794 4.340 0.000 0.000 0.284 66 L C 0.281 177.150 176.870 -0.003 0.000 1.028 66 L CA -0.402 54.438 54.840 -0.001 0.000 0.835 66 L CB 0.800 42.857 42.059 -0.003 0.000 1.215 66 L HN 0.338 nan 8.230 nan 0.000 0.425 67 E N 3.542 123.738 120.200 -0.006 0.000 2.263 67 E HA 0.326 4.676 4.350 0.000 0.000 0.264 67 E C -1.814 174.778 176.600 -0.013 0.000 0.923 67 E CA -1.809 54.589 56.400 -0.005 0.000 0.802 67 E CB 1.932 31.634 29.700 0.003 0.000 1.228 67 E HN 0.276 nan 8.360 nan 0.000 0.417 68 P HA -0.159 nan 4.420 nan 0.000 0.223 68 P C 0.309 177.598 177.300 -0.018 0.000 1.144 68 P CA 1.258 64.350 63.100 -0.014 0.000 0.783 68 P CB 0.229 31.926 31.700 -0.005 0.000 0.771 69 D N -2.557 117.840 120.400 -0.006 0.000 2.502 69 D HA 0.032 4.672 4.640 0.000 0.000 0.232 69 D C 0.236 176.543 176.300 0.013 0.000 1.137 69 D CA 0.034 54.041 54.000 0.011 0.000 0.827 69 D CB -0.145 40.684 40.800 0.047 0.000 1.141 69 D HN 0.265 nan 8.370 nan 0.000 0.517 70 N N -0.819 117.881 118.700 0.000 0.000 2.934 70 N HA 0.459 5.199 4.740 0.000 0.000 0.253 70 N C -1.877 173.629 175.510 -0.006 0.000 1.466 70 N CA -0.892 52.164 53.050 0.010 0.000 0.858 70 N CB 2.091 40.605 38.487 0.046 0.000 1.459 70 N HN -0.195 nan 8.380 nan 0.000 0.532 71 V N -0.177 119.739 119.914 0.003 0.000 2.483 71 V HA 0.693 4.813 4.120 0.000 0.000 0.297 71 V C 0.365 176.477 176.094 0.030 0.000 1.027 71 V CA -0.809 61.493 62.300 0.003 0.000 0.855 71 V CB 1.349 33.161 31.823 -0.019 0.000 0.995 71 V HN 0.928 nan 8.190 nan 0.000 0.424 72 G N 4.122 112.943 108.800 0.034 0.000 2.519 72 G HA2 0.448 4.408 3.960 0.000 0.000 0.306 72 G HA3 0.448 4.408 3.960 0.000 0.000 0.306 72 G C -0.372 174.573 174.900 0.075 0.000 0.965 72 G CA -0.081 45.049 45.100 0.050 0.000 1.291 72 G HN 0.520 nan 8.290 nan 0.000 0.450 73 V N 3.329 123.312 119.914 0.116 0.000 2.439 73 V HA 0.247 4.367 4.120 0.000 0.000 0.282 73 V C 0.270 176.492 176.094 0.213 0.000 1.039 73 V CA -0.629 61.776 62.300 0.176 0.000 0.913 73 V CB 1.680 33.638 31.823 0.226 0.000 0.983 73 V HN 0.457 nan 8.190 nan 0.000 0.460 74 V N 5.539 125.591 119.914 0.230 0.000 2.383 74 V HA 0.305 4.425 4.120 0.000 0.000 0.275 74 V C 0.160 176.449 176.094 0.325 0.000 1.036 74 V CA -0.700 61.723 62.300 0.205 0.000 0.889 74 V CB 1.334 33.249 31.823 0.153 0.000 0.985 74 V HN 0.593 nan 8.190 nan 0.000 0.459 75 V N 5.486 125.513 119.914 0.188 0.000 2.521 75 V HA 0.154 4.274 4.120 0.000 0.000 0.286 75 V C 0.413 176.644 176.094 0.228 0.000 1.034 75 V CA 0.083 62.472 62.300 0.148 0.000 1.045 75 V CB 0.305 32.073 31.823 -0.093 0.000 0.974 75 V HN 0.736 nan 8.190 nan 0.000 0.480 76 F N 4.300 124.270 119.950 0.034 0.000 2.913 76 F HA 0.572 5.099 4.527 0.000 0.000 0.293 76 F C 1.118 176.929 175.800 0.019 0.000 1.223 76 F CA 0.173 58.203 58.000 0.050 0.000 1.393 76 F CB 0.009 39.055 39.000 0.076 0.000 1.102 76 F HN 0.703 nan 8.300 nan 0.000 0.524 77 G N -0.317 108.543 108.800 0.099 0.000 2.348 77 G HA2 0.033 3.993 3.960 0.000 0.000 0.296 77 G HA3 0.033 3.993 3.960 0.000 0.000 0.296 77 G C -1.416 173.478 174.900 -0.009 0.000 1.258 77 G CA -1.037 44.089 45.100 0.044 0.000 0.868 77 G HN -0.107 nan 8.290 nan 0.000 0.488 78 N N 1.868 120.558 118.700 -0.015 0.000 2.400 78 N HA 0.112 4.852 4.740 0.000 0.000 0.267 78 N C 0.660 176.133 175.510 -0.062 0.000 1.208 78 N CA 0.129 53.160 53.050 -0.031 0.000 0.951 78 N CB 0.643 39.120 38.487 -0.018 0.000 1.227 78 N HN 0.540 nan 8.380 nan 0.000 0.488 79 D N 2.791 123.142 120.400 -0.081 0.000 2.332 79 D HA -0.110 4.531 4.640 0.000 0.000 0.244 79 D C 0.938 177.186 176.300 -0.087 0.000 1.136 79 D CA 0.080 54.004 54.000 -0.126 0.000 0.884 79 D CB 0.075 40.793 40.800 -0.136 0.000 0.906 79 D HN 0.673 nan 8.370 nan 0.000 0.520 80 K N 0.522 120.888 120.400 -0.057 0.000 2.211 80 K HA -0.066 4.254 4.320 0.000 0.000 0.203 80 K C 1.915 178.494 176.600 -0.035 0.000 1.050 80 K CA 0.516 56.781 56.287 -0.037 0.000 0.945 80 K CB -0.257 32.228 32.500 -0.024 0.000 0.732 80 K HN 0.166 nan 8.250 nan 0.000 0.451 81 L N 1.216 122.413 121.223 -0.045 0.000 2.492 81 L HA 0.210 4.550 4.340 0.000 0.000 0.223 81 L C 0.858 177.708 176.870 -0.035 0.000 1.132 81 L CA -0.064 54.757 54.840 -0.031 0.000 0.850 81 L CB -0.143 41.900 42.059 -0.027 0.000 0.966 81 L HN 0.138 nan 8.230 nan 0.000 0.454 82 I N 0.429 120.956 120.570 -0.071 0.000 2.395 82 I HA 0.174 4.344 4.170 0.000 0.000 0.289 82 I C 0.148 176.260 176.117 -0.008 0.000 1.023 82 I CA 0.032 61.297 61.300 -0.060 0.000 1.350 82 I CB 0.987 38.873 38.000 -0.189 0.000 1.409 82 I HN 0.071 nan 8.210 nan 0.000 0.507 83 K N 4.133 124.553 120.400 0.034 0.000 2.263 83 K HA 0.406 4.726 4.320 0.000 0.000 0.249 83 K C -0.808 175.827 176.600 0.058 0.000 1.076 83 K CA -0.945 55.363 56.287 0.035 0.000 0.884 83 K CB 1.706 34.222 32.500 0.027 0.000 1.394 83 K HN 0.498 nan 8.250 nan 0.000 0.476 84 E N -0.230 119.996 120.200 0.043 0.000 2.366 84 E HA 0.176 4.526 4.350 0.000 0.000 0.266 84 E C 0.435 177.061 176.600 0.043 0.000 1.051 84 E CA 0.832 57.259 56.400 0.044 0.000 0.884 84 E CB 0.501 30.216 29.700 0.026 0.000 1.006 84 E HN 0.719 nan 8.360 nan 0.000 0.417 85 G N 3.565 112.392 108.800 0.044 0.000 2.205 85 G HA2 -0.261 3.699 3.960 0.000 0.000 0.261 85 G HA3 -0.261 3.699 3.960 0.000 0.000 0.261 85 G C -0.219 174.712 174.900 0.051 0.000 0.980 85 G CA 0.293 45.415 45.100 0.036 0.000 0.632 85 G HN 0.668 nan 8.290 nan 0.000 0.533 86 D N 0.598 121.046 120.400 0.080 0.000 2.493 86 D HA 0.402 5.042 4.640 0.000 0.000 0.240 86 D C 0.885 177.231 176.300 0.076 0.000 1.142 86 D CA 0.106 54.167 54.000 0.102 0.000 0.872 86 D CB 0.541 41.449 40.800 0.180 0.000 1.173 86 D HN 0.268 nan 8.370 nan 0.000 0.467 87 I N 2.210 122.809 120.570 0.049 0.000 2.441 87 I HA 0.120 4.290 4.170 0.000 0.000 0.287 87 I C -0.048 176.043 176.117 -0.043 0.000 1.049 87 I CA -0.202 61.102 61.300 0.005 0.000 1.381 87 I CB 0.948 38.952 38.000 0.006 0.000 1.409 87 I HN 0.032 nan 8.210 nan 0.000 0.523 88 V N 6.588 126.425 119.914 -0.128 0.000 2.487 88 V HA 0.456 4.576 4.120 0.000 0.000 0.298 88 V C -0.068 175.916 176.094 -0.184 0.000 1.028 88 V CA -1.029 61.101 62.300 -0.282 0.000 0.860 88 V CB 1.471 32.980 31.823 -0.522 0.000 0.991 88 V HN 0.606 nan 8.190 nan 0.000 0.427 89 K N 3.620 123.927 120.400 -0.155 0.000 2.156 89 K HA 0.665 4.985 4.320 0.000 0.000 0.254 89 K C -0.485 176.047 176.600 -0.112 0.000 0.950 89 K CA -0.869 55.357 56.287 -0.102 0.000 0.849 89 K CB 2.131 34.594 32.500 -0.062 0.000 1.100 89 K HN 0.543 nan 8.250 nan 0.000 0.434 90 R N 0.668 121.116 120.500 -0.087 0.000 2.390 90 R HA 0.104 4.444 4.340 0.000 0.000 0.291 90 R C 0.528 176.791 176.300 -0.062 0.000 1.070 90 R CA -0.186 55.867 56.100 -0.079 0.000 1.014 90 R CB 0.564 30.826 30.300 -0.063 0.000 1.007 90 R HN 0.630 nan 8.270 nan 0.000 0.466 91 T N 0.931 115.448 114.554 -0.062 0.000 3.055 91 T HA 0.031 4.381 4.350 0.000 0.000 0.265 91 T C 1.381 176.056 174.700 -0.042 0.000 1.111 91 T CA 0.791 62.861 62.100 -0.050 0.000 1.118 91 T CB 0.085 68.918 68.868 -0.058 0.000 0.909 91 T HN 0.975 nan 8.240 nan 0.000 0.501 92 G N 1.263 110.038 108.800 -0.042 0.000 2.153 92 G HA2 0.007 3.967 3.960 0.000 0.000 0.252 92 G HA3 0.007 3.967 3.960 0.000 0.000 0.252 92 G C 0.116 174.999 174.900 -0.028 0.000 0.994 92 G CA 0.132 45.213 45.100 -0.033 0.000 0.698 92 G HN 1.039 nan 8.290 nan 0.000 0.521 93 A N -0.924 121.877 122.820 -0.033 0.000 2.610 93 A HA 0.778 5.098 4.320 0.000 0.000 0.291 93 A C -0.128 177.436 177.584 -0.033 0.000 1.086 93 A CA -0.692 51.328 52.037 -0.028 0.000 0.677 93 A CB 1.051 20.036 19.000 -0.026 0.000 1.278 93 A HN 0.604 nan 8.150 nan 0.000 0.414 94 I N 0.714 121.269 120.570 -0.025 0.000 2.945 94 I HA 0.220 4.390 4.170 0.000 0.000 0.292 94 I C 0.655 176.751 176.117 -0.034 0.000 1.093 94 I CA -0.329 60.956 61.300 -0.024 0.000 1.336 94 I CB 0.822 38.814 38.000 -0.012 0.000 1.435 94 I HN 0.341 nan 8.210 nan 0.000 0.593 95 V N 4.361 124.252 119.914 -0.038 0.000 2.529 95 V HA 0.060 4.180 4.120 0.000 0.000 0.292 95 V C 0.024 176.106 176.094 -0.020 0.000 1.028 95 V CA -0.067 62.205 62.300 -0.048 0.000 1.074 95 V CB 0.059 31.860 31.823 -0.038 0.000 0.958 95 V HN 0.864 nan 8.190 nan 0.000 0.481 96 D N 4.117 124.503 120.400 -0.023 0.000 2.671 96 D HA 0.586 5.227 4.640 0.000 0.000 0.232 96 D C -0.613 175.680 176.300 -0.010 0.000 1.114 96 D CA -0.560 53.432 54.000 -0.013 0.000 0.858 96 D CB 2.223 43.012 40.800 -0.017 0.000 1.544 96 D HN 0.417 nan 8.370 nan 0.000 0.471 97 V N -2.816 117.093 119.914 -0.008 0.000 2.815 97 V HA 0.699 4.819 4.120 0.000 0.000 0.314 97 V C -2.698 173.373 176.094 -0.038 0.000 1.064 97 V CA -2.428 59.865 62.300 -0.011 0.000 0.952 97 V CB 1.760 33.586 31.823 0.005 0.000 1.020 97 V HN 0.489 nan 8.190 nan 0.000 0.439 98 P HA 0.227 nan 4.420 nan 0.000 0.271 98 P C -0.614 176.611 177.300 -0.124 0.000 1.233 98 P CA 0.255 63.310 63.100 -0.076 0.000 0.764 98 P CB 1.188 32.853 31.700 -0.057 0.000 0.825 99 V N 3.364 123.162 119.914 -0.193 0.000 2.815 99 V HA 0.926 5.046 4.120 0.000 0.000 0.314 99 V C 0.663 176.426 176.094 -0.551 0.000 1.064 99 V CA -0.049 62.045 62.300 -0.343 0.000 0.952 99 V CB 1.701 33.327 31.823 -0.328 0.000 1.020 99 V HN 0.994 nan 8.190 nan 0.000 0.439 100 G N 2.177 110.503 108.800 -0.791 0.000 2.353 100 G HA2 0.126 4.086 3.960 0.000 0.000 0.308 100 G HA3 0.126 4.086 3.960 0.000 0.000 0.308 100 G C -0.343 174.302 174.900 -0.426 0.000 1.418 100 G CA -0.548 44.049 45.100 -0.839 0.000 0.966 100 G HN 0.587 nan 8.290 nan 0.000 0.638 101 E N -0.422 119.664 120.200 -0.190 0.000 2.516 101 E HA 0.024 4.374 4.350 0.000 0.000 0.199 101 E C 1.156 177.764 176.600 0.013 0.000 1.069 101 E CA 0.661 57.084 56.400 0.039 0.000 0.876 101 E CB 0.241 30.003 29.700 0.104 0.000 0.843 101 E HN 0.492 nan 8.360 nan 0.000 0.530 102 E N -0.014 120.158 120.200 -0.047 0.000 2.502 102 E HA -0.014 4.337 4.350 0.000 0.000 0.194 102 E C 1.121 177.711 176.600 -0.016 0.000 1.062 102 E CA 0.306 56.690 56.400 -0.026 0.000 0.867 102 E CB 0.159 29.832 29.700 -0.046 0.000 0.888 102 E HN 0.248 nan 8.360 nan 0.000 0.510 103 L N -0.341 120.877 121.223 -0.009 0.000 2.638 103 L HA 0.213 4.553 4.340 0.000 0.000 0.232 103 L C 0.297 177.198 176.870 0.051 0.000 1.099 103 L CA -0.187 54.659 54.840 0.010 0.000 0.883 103 L CB 0.167 42.222 42.059 -0.006 0.000 1.136 103 L HN 0.070 nan 8.230 nan 0.000 0.492 104 L N 0.934 122.205 121.223 0.080 0.000 2.490 104 L HA 0.139 4.479 4.340 0.000 0.000 0.274 104 L C 1.376 178.279 176.870 0.055 0.000 1.201 104 L CA 0.665 55.565 54.840 0.100 0.000 0.869 104 L CB -0.027 42.113 42.059 0.134 0.000 1.123 104 L HN 0.367 nan 8.230 nan 0.000 0.484 105 G N 2.507 111.325 108.800 0.030 0.000 2.179 105 G HA2 -0.269 3.691 3.960 0.000 0.000 0.257 105 G HA3 -0.269 3.691 3.960 0.000 0.000 0.257 105 G C 0.193 175.093 174.900 -0.000 0.000 1.010 105 G CA -0.056 45.041 45.100 -0.005 0.000 0.736 105 G HN 0.636 nan 8.290 nan 0.000 0.513 106 R N -0.925 119.583 120.500 0.012 0.000 2.621 106 R HA 0.534 4.874 4.340 0.000 0.000 0.284 106 R C -0.689 175.622 176.300 0.019 0.000 0.998 106 R CA -0.906 55.201 56.100 0.012 0.000 0.895 106 R CB 2.452 32.760 30.300 0.013 0.000 1.195 106 R HN 0.082 nan 8.270 nan 0.000 0.450 107 V N 3.776 123.700 119.914 0.017 0.000 2.406 107 V HA 0.299 4.419 4.120 0.000 0.000 0.272 107 V C 0.433 176.543 176.094 0.027 0.000 1.043 107 V CA -0.554 61.763 62.300 0.027 0.000 0.915 107 V CB 1.131 32.968 31.823 0.023 0.000 0.988 107 V HN 0.585 nan 8.190 nan 0.000 0.466 108 V N 1.656 121.589 119.914 0.033 0.000 3.046 108 V HA 0.799 4.919 4.120 0.000 0.000 0.316 108 V C -0.339 175.777 176.094 0.036 0.000 1.104 108 V CA -0.919 61.399 62.300 0.029 0.000 1.006 108 V CB 2.132 33.969 31.823 0.023 0.000 1.058 108 V HN 0.759 nan 8.190 nan 0.000 0.440 109 D N 1.612 122.034 120.400 0.037 0.000 2.478 109 D HA 0.445 5.085 4.640 0.000 0.000 0.274 109 D C 1.223 177.553 176.300 0.050 0.000 1.234 109 D CA -0.019 54.008 54.000 0.045 0.000 1.069 109 D CB 1.082 41.911 40.800 0.049 0.000 1.113 109 D HN 0.850 nan 8.370 nan 0.000 0.571 110 A N -0.831 122.026 122.820 0.061 0.000 2.125 110 A HA -0.029 4.291 4.320 0.000 0.000 0.219 110 A C 1.881 179.521 177.584 0.093 0.000 1.156 110 A CA 0.847 52.928 52.037 0.073 0.000 0.671 110 A CB -0.707 18.342 19.000 0.082 0.000 0.794 110 A HN 0.500 nan 8.150 nan 0.000 0.459 111 L N -1.722 119.554 121.223 0.089 0.000 2.965 111 L HA 0.313 4.653 4.340 0.000 0.000 0.254 111 L C 1.542 178.438 176.870 0.043 0.000 1.220 111 L CA 0.317 55.205 54.840 0.080 0.000 1.023 111 L CB 0.034 42.151 42.059 0.097 0.000 1.355 111 L HN 0.498 nan 8.230 nan 0.000 0.545 112 G N -0.053 108.767 108.800 0.034 0.000 2.245 112 G HA2 -0.302 3.658 3.960 0.000 0.000 0.264 112 G HA3 -0.302 3.658 3.960 0.000 0.000 0.264 112 G C 0.393 175.301 174.900 0.013 0.000 0.985 112 G CA 0.015 45.124 45.100 0.014 0.000 0.625 112 G HN 0.449 nan 8.290 nan 0.000 0.536 113 N N 1.756 120.469 118.700 0.022 0.000 2.411 113 N HA 0.408 5.148 4.740 0.000 0.000 0.261 113 N C 0.700 176.221 175.510 0.019 0.000 1.248 113 N CA 0.896 53.958 53.050 0.020 0.000 0.885 113 N CB 0.920 39.424 38.487 0.028 0.000 1.062 113 N HN 0.840 nan 8.380 nan 0.000 0.471 114 A N 2.575 125.403 122.820 0.013 0.000 2.520 114 A HA 0.181 4.501 4.320 0.000 0.000 0.245 114 A C 1.397 178.991 177.584 0.016 0.000 1.072 114 A CA -0.148 51.897 52.037 0.013 0.000 0.761 114 A CB -0.364 18.640 19.000 0.008 0.000 1.004 114 A HN 0.831 nan 8.150 nan 0.000 0.499 115 I N -0.597 119.984 120.570 0.018 0.000 4.240 115 I HA 0.221 4.391 4.170 0.000 0.000 0.331 115 I C 0.480 176.606 176.117 0.015 0.000 1.381 115 I CA 0.113 61.424 61.300 0.019 0.000 1.136 115 I CB 0.427 38.441 38.000 0.024 0.000 1.137 115 I HN 0.493 nan 8.210 nan 0.000 0.411 116 D N 1.517 121.924 120.400 0.012 0.000 2.340 116 D HA 0.093 4.733 4.640 0.000 0.000 0.220 116 D C 1.702 178.005 176.300 0.005 0.000 1.039 116 D CA 0.712 54.717 54.000 0.007 0.000 0.866 116 D CB 0.139 40.942 40.800 0.005 0.000 0.913 116 D HN 0.475 nan 8.370 nan 0.000 0.523 117 G N 1.183 109.987 108.800 0.006 0.000 2.196 117 G HA2 -0.383 3.577 3.960 0.000 0.000 0.268 117 G HA3 -0.383 3.577 3.960 0.000 0.000 0.268 117 G C 0.668 175.570 174.900 0.003 0.000 0.975 117 G CA 0.444 45.547 45.100 0.005 0.000 0.648 117 G HN 0.467 nan 8.290 nan 0.000 0.538 118 K N 1.083 121.484 120.400 0.002 0.000 3.165 118 K HA 0.446 4.766 4.320 0.000 0.000 0.270 118 K C 1.316 177.917 176.600 0.002 0.000 1.111 118 K CA 0.396 56.683 56.287 0.001 0.000 1.216 118 K CB -0.407 32.093 32.500 0.000 0.000 1.229 118 K HN 1.378 nan 8.250 nan 0.000 0.435 119 G N 1.864 110.666 108.800 0.003 0.000 2.814 119 G HA2 -0.205 3.755 3.960 0.000 0.000 0.677 119 G HA3 -0.205 3.755 3.960 0.000 0.000 0.677 119 G C -2.710 172.191 174.900 0.002 0.000 1.429 119 G CA -1.313 43.788 45.100 0.002 0.000 0.868 119 G HN 0.101 nan 8.290 nan 0.000 0.553 120 P HA 0.370 nan 4.420 nan 0.000 0.270 120 P C 0.514 177.812 177.300 -0.004 0.000 1.223 120 P CA -0.478 62.621 63.100 -0.001 0.000 0.785 120 P CB 0.405 32.104 31.700 -0.001 0.000 0.923 121 I N 1.113 121.679 120.570 -0.008 0.000 2.532 121 I HA 0.207 4.377 4.170 0.000 0.000 0.292 121 I C 1.470 177.575 176.117 -0.019 0.000 1.014 121 I CA 0.138 61.429 61.300 -0.014 0.000 1.340 121 I CB 0.559 38.547 38.000 -0.020 0.000 1.422 121 I HN 0.476 nan 8.210 nan 0.000 0.528 122 G N 3.817 112.603 108.800 -0.023 0.000 4.125 122 G HA2 0.180 4.140 3.960 0.000 0.000 0.301 122 G HA3 0.180 4.140 3.960 0.000 0.000 0.301 122 G C 0.157 175.033 174.900 -0.040 0.000 1.273 122 G CA -0.195 44.890 45.100 -0.024 0.000 1.095 122 G HN 0.539 nan 8.290 nan 0.000 0.582 123 S N 0.439 116.105 115.700 -0.055 0.000 2.465 123 S HA 0.115 4.585 4.470 0.000 0.000 0.280 123 S C 1.213 175.771 174.600 -0.069 0.000 1.232 123 S CA -0.201 57.947 58.200 -0.087 0.000 1.066 123 S CB 1.369 64.504 63.200 -0.109 0.000 0.929 123 S HN 0.475 nan 8.310 nan 0.000 0.494 124 K N 1.562 121.922 120.400 -0.066 0.000 2.418 124 K HA 0.169 4.489 4.320 0.000 0.000 0.195 124 K C 0.679 177.253 176.600 -0.043 0.000 1.035 124 K CA 0.293 56.555 56.287 -0.041 0.000 1.003 124 K CB 0.244 32.731 32.500 -0.023 0.000 0.793 124 K HN 0.609 nan 8.250 nan 0.000 0.494 125 A N 1.465 124.240 122.820 -0.075 0.000 2.384 125 A HA 0.685 5.005 4.320 0.000 0.000 0.312 125 A C -0.898 176.631 177.584 -0.092 0.000 1.113 125 A CA -0.801 51.197 52.037 -0.065 0.000 0.779 125 A CB 1.197 20.169 19.000 -0.047 0.000 1.307 125 A HN 0.084 nan 8.150 nan 0.000 0.436 126 R N 0.173 120.638 120.500 -0.059 0.000 2.651 126 R HA 0.614 4.954 4.340 0.000 0.000 0.278 126 R C -0.871 175.410 176.300 -0.033 0.000 1.010 126 R CA -0.730 55.336 56.100 -0.056 0.000 0.896 126 R CB 2.808 33.084 30.300 -0.039 0.000 1.211 126 R HN 0.792 nan 8.270 nan 0.000 0.456 127 R N 1.433 121.914 120.500 -0.031 0.000 2.750 127 R HA 0.411 4.751 4.340 0.000 0.000 0.281 127 R C -0.612 175.686 176.300 -0.004 0.000 0.972 127 R CA -0.847 55.249 56.100 -0.007 0.000 0.912 127 R CB 1.663 31.966 30.300 0.005 0.000 1.187 127 R HN 0.524 nan 8.270 nan 0.000 0.464 128 R N 1.535 122.036 120.500 0.003 0.000 2.643 128 R HA 0.015 4.355 4.340 0.000 0.000 0.270 128 R C 1.440 177.746 176.300 0.009 0.000 1.061 128 R CA 0.013 56.114 56.100 0.002 0.000 1.107 128 R CB 0.672 30.972 30.300 0.001 0.000 0.999 128 R HN 0.563 nan 8.270 nan 0.000 0.460 129 V N 0.520 120.440 119.914 0.009 0.000 2.407 129 V HA 0.062 4.182 4.120 0.000 0.000 0.245 129 V C 1.106 177.198 176.094 -0.004 0.000 1.041 129 V CA 1.327 63.642 62.300 0.025 0.000 1.040 129 V CB -0.557 31.287 31.823 0.034 0.000 0.671 129 V HN 0.783 nan 8.190 nan 0.000 0.455 130 G N 1.811 110.584 108.800 -0.046 0.000 2.621 130 G HA2 0.562 4.523 3.960 0.000 0.000 0.306 130 G HA3 0.562 4.523 3.960 0.000 0.000 0.306 130 G C -0.631 174.249 174.900 -0.034 0.000 0.893 130 G CA -0.262 44.788 45.100 -0.083 0.000 1.486 130 G HN 0.402 nan 8.290 nan 0.000 0.477 131 L N 1.204 122.418 121.223 -0.015 0.000 2.354 131 L HA 0.515 4.855 4.340 0.000 0.000 0.269 131 L C 0.276 177.147 176.870 0.002 0.000 1.005 131 L CA -1.094 53.748 54.840 0.004 0.000 0.819 131 L CB 2.706 44.776 42.059 0.020 0.000 1.311 131 L HN 0.302 nan 8.230 nan 0.000 0.423 132 K N 1.476 121.882 120.400 0.010 0.000 2.144 132 K HA 0.599 4.919 4.320 0.000 0.000 0.270 132 K C -0.174 176.432 176.600 0.011 0.000 1.005 132 K CA -0.436 55.859 56.287 0.014 0.000 0.932 132 K CB 1.439 33.957 32.500 0.030 0.000 1.021 132 K HN 0.688 nan 8.250 nan 0.000 0.462 133 A N 4.957 127.781 122.820 0.006 0.000 2.462 133 A HA 0.235 4.555 4.320 0.000 0.000 0.243 133 A C -2.042 175.535 177.584 -0.012 0.000 1.076 133 A CA -1.088 50.947 52.037 -0.003 0.000 0.773 133 A CB -0.459 18.537 19.000 -0.006 0.000 1.010 133 A HN 0.655 nan 8.150 nan 0.000 0.493 134 P HA 0.135 nan 4.420 nan 0.000 0.267 134 P C 0.704 177.957 177.300 -0.078 0.000 1.200 134 P CA 0.387 63.442 63.100 -0.075 0.000 0.772 134 P CB 0.455 32.079 31.700 -0.127 0.000 0.855 135 G N 1.186 109.931 108.800 -0.091 0.000 2.447 135 G HA2 0.104 4.064 3.960 0.000 0.000 0.269 135 G HA3 0.104 4.064 3.960 0.000 0.000 0.269 135 G C 1.179 176.027 174.900 -0.086 0.000 1.455 135 G CA -0.509 44.551 45.100 -0.067 0.000 1.061 135 G HN 0.448 nan 8.290 nan 0.000 0.545 136 I N -0.100 120.434 120.570 -0.059 0.000 2.206 136 I HA -0.058 4.112 4.170 0.000 0.000 0.239 136 I C 2.656 178.728 176.117 -0.075 0.000 1.078 136 I CA 0.385 61.654 61.300 -0.051 0.000 1.367 136 I CB -0.205 37.783 38.000 -0.020 0.000 1.078 136 I HN 0.232 nan 8.210 nan 0.000 0.413 137 I N 1.332 121.863 120.570 -0.065 0.000 2.151 137 I HA -0.195 3.975 4.170 0.000 0.000 0.243 137 I C -0.210 175.808 176.117 -0.165 0.000 1.080 137 I CA 2.014 63.286 61.300 -0.046 0.000 1.339 137 I CB -2.918 35.100 38.000 0.032 0.000 1.039 137 I HN 0.159 nan 8.210 nan 0.000 0.409 138 P HA -0.083 nan 4.420 nan 0.000 0.228 138 P C 0.445 177.440 177.300 -0.509 0.000 1.151 138 P CA 1.155 63.599 63.100 -1.094 0.000 0.770 138 P CB 0.076 30.999 31.700 -1.296 0.000 0.786 139 R N -0.784 119.568 120.500 -0.248 0.000 2.691 139 R HA 0.654 4.994 4.340 0.000 0.000 0.259 139 R C -0.441 175.826 176.300 -0.056 0.000 1.048 139 R CA -0.886 55.139 56.100 -0.125 0.000 1.086 139 R CB 0.886 31.131 30.300 -0.092 0.000 1.166 139 R HN -0.098 nan 8.270 nan 0.000 0.526 140 I N -0.845 119.708 120.570 -0.028 0.000 2.994 140 I HA 0.188 4.358 4.170 0.000 0.000 0.306 140 I C -0.800 175.311 176.117 -0.011 0.000 1.195 140 I CA -0.322 60.974 61.300 -0.007 0.000 1.001 140 I CB 2.554 40.561 38.000 0.013 0.000 1.244 140 I HN 0.539 nan 8.210 nan 0.000 0.437 141 S N 3.286 118.982 115.700 -0.008 0.000 2.552 141 S HA 0.246 4.716 4.470 0.000 0.000 0.289 141 S C -0.291 174.299 174.600 -0.017 0.000 1.304 141 S CA -0.567 57.627 58.200 -0.011 0.000 1.063 141 S CB 0.325 63.521 63.200 -0.007 0.000 0.848 141 S HN 0.413 nan 8.310 nan 0.000 0.499 142 V N 4.765 124.665 119.914 -0.022 0.000 2.529 142 V HA 0.121 4.241 4.120 0.000 0.000 0.292 142 V C 1.105 177.177 176.094 -0.036 0.000 1.028 142 V CA 0.624 62.903 62.300 -0.035 0.000 1.074 142 V CB 0.238 32.040 31.823 -0.034 0.000 0.958 142 V HN 0.877 nan 8.190 nan 0.000 0.481 143 R N 1.746 122.216 120.500 -0.049 0.000 2.663 143 R HA 0.201 4.541 4.340 0.000 0.000 0.199 143 R C 0.128 176.388 176.300 -0.067 0.000 0.870 143 R CA -0.359 55.713 56.100 -0.045 0.000 1.040 143 R CB 0.531 30.811 30.300 -0.033 0.000 1.524 143 R HN 0.669 nan 8.270 nan 0.000 0.643 144 E N 3.370 123.510 120.200 -0.099 0.000 2.299 144 E HA 0.113 4.463 4.350 0.000 0.000 0.272 144 E C -2.420 174.091 176.600 -0.148 0.000 1.043 144 E CA -1.752 54.562 56.400 -0.144 0.000 0.895 144 E CB 0.656 30.215 29.700 -0.235 0.000 1.011 144 E HN -0.051 nan 8.360 nan 0.000 0.432 145 P HA 0.056 nan 4.420 nan 0.000 0.274 145 P C -0.470 176.726 177.300 -0.174 0.000 1.231 145 P CA -0.226 62.801 63.100 -0.123 0.000 0.790 145 P CB 0.538 32.181 31.700 -0.094 0.000 0.951 146 M N 2.380 121.898 119.600 -0.137 0.000 2.386 146 M HA 0.145 4.625 4.480 0.000 0.000 0.245 146 M C -0.791 175.450 176.300 -0.098 0.000 0.982 146 M CA -0.567 54.643 55.300 -0.150 0.000 0.860 146 M CB 0.100 32.634 32.600 -0.110 0.000 1.371 146 M HN 0.305 nan 8.290 nan 0.000 0.425 147 Q N 1.788 121.523 119.800 -0.108 0.000 2.239 147 Q HA 0.059 4.399 4.340 0.000 0.000 0.286 147 Q C 1.319 177.341 176.000 0.036 0.000 1.102 147 Q CA 0.455 56.256 55.803 -0.003 0.000 0.936 147 Q CB 0.495 29.288 28.738 0.091 0.000 1.127 147 Q HN 0.726 nan 8.270 nan 0.000 0.380 148 T N -0.941 113.635 114.554 0.036 0.000 2.939 148 T HA 0.159 4.509 4.350 0.000 0.000 0.254 148 T C 1.239 175.977 174.700 0.063 0.000 1.041 148 T CA 0.705 62.831 62.100 0.044 0.000 1.142 148 T CB 0.187 69.072 68.868 0.028 0.000 0.874 148 T HN 0.755 nan 8.240 nan 0.000 0.452 149 G N 1.278 110.113 108.800 0.059 0.000 2.211 149 G HA2 -0.115 3.845 3.960 0.000 0.000 0.201 149 G HA3 -0.115 3.845 3.960 0.000 0.000 0.201 149 G C 0.003 174.922 174.900 0.033 0.000 0.997 149 G CA -0.186 44.946 45.100 0.053 0.000 0.652 149 G HN 0.625 nan 8.290 nan 0.000 0.500 150 I N 1.685 122.272 120.570 0.028 0.000 2.304 150 I HA 0.271 4.441 4.170 0.000 0.000 0.291 150 I C 1.596 177.725 176.117 0.021 0.000 1.018 150 I CA -0.719 60.591 61.300 0.018 0.000 1.260 150 I CB 1.377 39.385 38.000 0.013 0.000 1.390 150 I HN 0.003 nan 8.210 nan 0.000 0.475 151 K N 4.528 124.940 120.400 0.020 0.000 2.000 151 K HA -0.252 4.068 4.320 0.000 0.000 0.218 151 K C 2.145 178.758 176.600 0.023 0.000 1.053 151 K CA 2.002 58.304 56.287 0.024 0.000 0.946 151 K CB -0.283 32.232 32.500 0.026 0.000 0.723 151 K HN 0.808 nan 8.250 nan 0.000 0.446 152 A N 0.987 123.820 122.820 0.021 0.000 1.971 152 A HA -0.208 4.112 4.320 0.000 0.000 0.222 152 A C 2.392 179.990 177.584 0.025 0.000 1.182 152 A CA 2.119 54.170 52.037 0.023 0.000 0.649 152 A CB -0.840 18.174 19.000 0.023 0.000 0.818 152 A HN 0.132 nan 8.150 nan 0.000 0.458 153 V N 0.184 120.111 119.914 0.022 0.000 2.256 153 V HA -0.162 3.958 4.120 0.000 0.000 0.240 153 V C 2.088 178.193 176.094 0.019 0.000 1.036 153 V CA 1.918 64.231 62.300 0.021 0.000 1.008 153 V CB -0.887 30.947 31.823 0.019 0.000 0.648 153 V HN 0.485 nan 8.190 nan 0.000 0.453 154 D N 0.747 121.159 120.400 0.019 0.000 2.228 154 D HA -0.144 4.496 4.640 0.000 0.000 0.203 154 D C 2.305 178.616 176.300 0.018 0.000 0.988 154 D CA 1.884 55.895 54.000 0.018 0.000 0.864 154 D CB -0.101 40.714 40.800 0.024 0.000 0.928 154 D HN 0.632 nan 8.370 nan 0.000 0.469 155 S N -0.644 115.069 115.700 0.021 0.000 2.444 155 S HA 0.078 4.548 4.470 0.000 0.000 0.223 155 S C 2.138 176.749 174.600 0.018 0.000 1.054 155 S CA -0.104 58.108 58.200 0.020 0.000 0.947 155 S CB -0.368 62.846 63.200 0.022 0.000 0.850 155 S HN 0.162 nan 8.310 nan 0.000 0.527 156 L N 1.717 122.952 121.223 0.021 0.000 2.102 156 L HA 0.259 4.599 4.340 0.000 0.000 0.202 156 L C 0.743 177.626 176.870 0.022 0.000 1.076 156 L CA 0.538 55.392 54.840 0.023 0.000 0.761 156 L CB -0.283 41.794 42.059 0.030 0.000 0.921 156 L HN 0.366 nan 8.230 nan 0.000 0.444 157 V N -2.080 117.848 119.914 0.023 0.000 2.271 157 V HA 0.407 4.527 4.120 0.000 0.000 0.259 157 V C -2.559 173.544 176.094 0.014 0.000 1.030 157 V CA -2.066 60.247 62.300 0.021 0.000 0.957 157 V CB -0.156 31.684 31.823 0.029 0.000 1.186 157 V HN -0.047 nan 8.190 nan 0.000 0.471 158 P HA 0.313 nan 4.420 nan 0.000 0.268 158 P C -0.361 176.936 177.300 -0.005 0.000 1.205 158 P CA 0.295 63.396 63.100 0.001 0.000 0.771 158 P CB 1.536 33.235 31.700 -0.001 0.000 0.858 159 I N 1.861 122.424 120.570 -0.012 0.000 2.404 159 I HA 0.497 4.667 4.170 0.000 0.000 0.293 159 I C 0.978 177.071 176.117 -0.040 0.000 0.992 159 I CA -0.542 60.746 61.300 -0.020 0.000 1.149 159 I CB 2.098 40.087 38.000 -0.017 0.000 1.315 159 I HN 0.349 nan 8.210 nan 0.000 0.446 160 G N 4.577 113.351 108.800 -0.045 0.000 2.489 160 G HA2 0.570 4.530 3.960 0.000 0.000 0.327 160 G HA3 0.570 4.530 3.960 0.000 0.000 0.327 160 G C -0.674 174.178 174.900 -0.080 0.000 1.189 160 G CA -0.872 44.187 45.100 -0.067 0.000 0.962 160 G HN 0.522 nan 8.290 nan 0.000 0.486 161 R N -0.153 120.276 120.500 -0.119 0.000 2.316 161 R HA 0.428 4.769 4.340 0.000 0.000 0.314 161 R C 1.023 177.270 176.300 -0.089 0.000 1.069 161 R CA 1.032 57.050 56.100 -0.135 0.000 0.959 161 R CB 0.827 30.971 30.300 -0.260 0.000 0.987 161 R HN 1.119 nan 8.270 nan 0.000 0.446 162 G N 1.664 110.436 108.800 -0.047 0.000 2.144 162 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 162 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 162 G C -0.020 174.870 174.900 -0.016 0.000 0.988 162 G CA -0.097 44.990 45.100 -0.021 0.000 0.659 162 G HN 0.577 nan 8.290 nan 0.000 0.522 163 Q N -0.468 119.320 119.800 -0.020 0.000 2.240 163 Q HA 0.793 5.133 4.340 0.000 0.000 0.260 163 Q C -0.293 175.705 176.000 -0.002 0.000 1.018 163 Q CA -1.124 54.672 55.803 -0.012 0.000 0.898 163 Q CB 0.955 29.682 28.738 -0.018 0.000 1.301 163 Q HN 0.327 nan 8.270 nan 0.000 0.469 164 R N 1.806 122.308 120.500 0.004 0.000 2.467 164 R HA 0.248 4.588 4.340 0.000 0.000 0.299 164 R C -1.504 174.802 176.300 0.010 0.000 1.120 164 R CA -0.540 55.568 56.100 0.013 0.000 0.940 164 R CB 1.554 31.864 30.300 0.016 0.000 1.161 164 R HN 0.470 nan 8.270 nan 0.000 0.506 165 E N 2.510 122.715 120.200 0.009 0.000 2.197 165 E HA 0.239 4.589 4.350 0.000 0.000 0.281 165 E C -1.255 175.354 176.600 0.014 0.000 0.995 165 E CA -0.821 55.586 56.400 0.012 0.000 0.808 165 E CB 1.021 30.726 29.700 0.009 0.000 1.093 165 E HN 0.297 nan 8.360 nan 0.000 0.394 166 L N 5.586 126.821 121.223 0.019 0.000 2.312 166 L HA 0.483 4.823 4.340 0.000 0.000 0.281 166 L C -1.001 175.882 176.870 0.023 0.000 1.070 166 L CA -0.085 54.765 54.840 0.017 0.000 0.805 166 L CB 0.812 42.883 42.059 0.021 0.000 1.174 166 L HN 0.626 nan 8.230 nan 0.000 0.434 167 I N 7.090 127.665 120.570 0.008 0.000 2.330 167 I HA 0.398 4.568 4.170 0.000 0.000 0.286 167 I C -0.412 175.692 176.117 -0.021 0.000 1.025 167 I CA -0.183 61.114 61.300 -0.004 0.000 1.197 167 I CB 1.102 39.097 38.000 -0.008 0.000 1.358 167 I HN 0.567 nan 8.210 nan 0.000 0.467 168 I N 5.240 125.795 120.570 -0.024 0.000 2.608 168 I HA 0.901 5.071 4.170 0.000 0.000 0.295 168 I C -0.259 175.668 176.117 -0.316 0.000 1.049 168 I CA -0.073 61.202 61.300 -0.042 0.000 1.063 168 I CB 2.115 40.196 38.000 0.135 0.000 1.248 168 I HN 0.674 nan 8.210 nan 0.000 0.424 169 G N 4.662 113.242 108.800 -0.366 0.000 2.322 169 G HA2 0.217 4.177 3.960 0.000 0.000 0.295 169 G HA3 0.217 4.177 3.960 0.000 0.000 0.295 169 G C -2.003 172.720 174.900 -0.294 0.000 1.369 169 G CA -0.703 43.993 45.100 -0.673 0.000 0.821 169 G HN 0.520 nan 8.290 nan 0.000 0.536 170 D N -0.144 120.106 120.400 -0.250 0.000 2.414 170 D HA 0.452 5.092 4.640 0.000 0.000 0.259 170 D C 1.137 177.368 176.300 -0.115 0.000 1.269 170 D CA -0.243 53.695 54.000 -0.103 0.000 1.028 170 D CB 0.352 41.121 40.800 -0.052 0.000 1.093 170 D HN 0.658 nan 8.370 nan 0.000 0.545 171 R N 0.316 120.772 120.500 -0.073 0.000 2.590 171 R HA 0.128 4.468 4.340 0.000 0.000 0.274 171 R C -0.381 175.843 176.300 -0.128 0.000 1.061 171 R CA -0.375 55.679 56.100 -0.076 0.000 1.081 171 R CB 0.181 30.457 30.300 -0.039 0.000 0.984 171 R HN 0.156 nan 8.270 nan 0.000 0.448 172 Q N 0.422 120.132 119.800 -0.150 0.000 2.463 172 Q HA -0.152 4.188 4.340 0.000 0.000 0.299 172 Q C 0.166 175.932 176.000 -0.391 0.000 1.353 172 Q CA 1.624 57.283 55.803 -0.241 0.000 0.828 172 Q CB -1.709 26.898 28.738 -0.219 0.000 1.157 172 Q HN 1.039 nan 8.270 nan 0.000 0.436 173 T N -5.683 108.684 114.554 -0.311 0.000 3.001 173 T HA 0.434 4.784 4.350 0.000 0.000 0.251 173 T C 1.254 175.812 174.700 -0.236 0.000 1.040 173 T CA 0.901 62.806 62.100 -0.326 0.000 0.985 173 T CB 1.086 69.794 68.868 -0.266 0.000 1.011 173 T HN 0.844 nan 8.240 nan 0.000 0.509 174 G N 1.641 110.329 108.800 -0.186 0.000 2.192 174 G HA2 -0.239 3.721 3.960 0.000 0.000 0.193 174 G HA3 -0.239 3.721 3.960 0.000 0.000 0.193 174 G C 0.804 175.673 174.900 -0.052 0.000 0.999 174 G CA 0.212 45.264 45.100 -0.080 0.000 0.659 174 G HN 0.476 nan 8.290 nan 0.000 0.503 175 K N 0.053 120.409 120.400 -0.074 0.000 2.032 175 K HA -0.171 4.150 4.320 0.000 0.000 0.218 175 K C 2.560 179.160 176.600 -0.001 0.000 1.054 175 K CA 2.314 58.572 56.287 -0.048 0.000 0.941 175 K CB -0.536 31.927 32.500 -0.062 0.000 0.720 175 K HN 0.361 nan 8.250 nan 0.000 0.449 176 T N 0.884 115.449 114.554 0.019 0.000 2.720 176 T HA -0.133 4.217 4.350 0.000 0.000 0.268 176 T C 2.130 176.862 174.700 0.053 0.000 1.037 176 T CA 1.665 63.809 62.100 0.072 0.000 1.144 176 T CB -0.291 68.631 68.868 0.090 0.000 0.864 176 T HN 0.179 nan 8.240 nan 0.000 0.444 177 S N 1.260 116.975 115.700 0.025 0.000 2.374 177 S HA -0.090 4.380 4.470 0.000 0.000 0.227 177 S C 2.043 176.651 174.600 0.013 0.000 1.037 177 S CA 0.858 59.067 58.200 0.014 0.000 1.024 177 S CB -0.436 62.748 63.200 -0.026 0.000 0.861 177 S HN 0.343 nan 8.310 nan 0.000 0.456 178 I N 1.967 122.544 120.570 0.011 0.000 2.163 178 I HA -0.210 3.960 4.170 0.000 0.000 0.243 178 I C 2.743 178.880 176.117 0.033 0.000 1.085 178 I CA 1.501 62.809 61.300 0.014 0.000 1.347 178 I CB -1.796 36.209 38.000 0.009 0.000 1.044 178 I HN 0.263 nan 8.210 nan 0.000 0.408 179 A N 1.260 124.109 122.820 0.049 0.000 1.877 179 A HA -0.161 4.159 4.320 0.000 0.000 0.216 179 A C 2.245 179.868 177.584 0.066 0.000 1.186 179 A CA 1.264 53.343 52.037 0.070 0.000 0.620 179 A CB -0.570 18.504 19.000 0.124 0.000 0.822 179 A HN 0.270 nan 8.150 nan 0.000 0.443 180 I N 0.601 121.202 120.570 0.051 0.000 2.127 180 I HA -0.235 3.935 4.170 0.000 0.000 0.241 180 I C 1.954 178.121 176.117 0.084 0.000 1.075 180 I CA 1.951 63.274 61.300 0.039 0.000 1.334 180 I CB -1.778 36.260 38.000 0.064 0.000 1.040 180 I HN 0.274 nan 8.210 nan 0.000 0.405 181 D N 0.597 121.052 120.400 0.092 0.000 2.123 181 D HA -0.152 4.488 4.640 0.000 0.000 0.196 181 D C 2.203 178.555 176.300 0.086 0.000 0.992 181 D CA 1.701 55.758 54.000 0.094 0.000 0.833 181 D CB -0.211 40.614 40.800 0.043 0.000 0.954 181 D HN 0.268 nan 8.370 nan 0.000 0.455 182 T N 0.423 115.020 114.554 0.071 0.000 2.684 182 T HA -0.117 4.233 4.350 0.000 0.000 0.267 182 T C 2.130 176.891 174.700 0.102 0.000 1.036 182 T CA 0.724 62.868 62.100 0.073 0.000 1.148 182 T CB -0.258 68.641 68.868 0.052 0.000 0.863 182 T HN 0.170 nan 8.240 nan 0.000 0.436 183 I N 0.602 121.236 120.570 0.107 0.000 2.142 183 I HA -0.148 4.022 4.170 0.000 0.000 0.240 183 I C 2.327 178.580 176.117 0.226 0.000 1.078 183 I CA 1.427 62.822 61.300 0.158 0.000 1.343 183 I CB -0.447 37.608 38.000 0.092 0.000 1.046 183 I HN 0.216 nan 8.210 nan 0.000 0.405 184 I N 0.864 121.522 120.570 0.147 0.000 2.208 184 I HA -0.334 3.836 4.170 0.000 0.000 0.245 184 I C 2.331 178.551 176.117 0.172 0.000 1.097 184 I CA 1.617 63.007 61.300 0.149 0.000 1.363 184 I CB -0.649 37.412 38.000 0.101 0.000 1.051 184 I HN 0.342 nan 8.210 nan 0.000 0.413 185 N N 0.844 119.626 118.700 0.136 0.000 2.205 185 N HA -0.228 4.512 4.740 0.000 0.000 0.186 185 N C 1.809 177.391 175.510 0.120 0.000 1.015 185 N CA 1.303 54.416 53.050 0.106 0.000 0.862 185 N CB -0.042 38.515 38.487 0.117 0.000 0.986 185 N HN 0.217 nan 8.380 nan 0.000 0.429 186 Q N 0.505 120.398 119.800 0.155 0.000 2.368 186 Q HA -0.147 4.193 4.340 0.000 0.000 0.210 186 Q C 1.687 177.588 176.000 -0.166 0.000 0.982 186 Q CA 0.772 56.614 55.803 0.065 0.000 0.884 186 Q CB -0.347 28.314 28.738 -0.129 0.000 0.933 186 Q HN 0.574 nan 8.270 nan 0.000 0.460 187 K N 0.968 121.349 120.400 -0.031 0.000 2.152 187 K HA -0.150 4.170 4.320 0.000 0.000 0.206 187 K C 1.921 178.437 176.600 -0.141 0.000 1.048 187 K CA 0.910 57.187 56.287 -0.017 0.000 0.933 187 K CB 0.106 32.704 32.500 0.164 0.000 0.721 187 K HN 0.094 nan 8.250 nan 0.000 0.447 188 R N -0.498 119.857 120.500 -0.242 0.000 2.094 188 R HA -0.160 4.181 4.340 0.000 0.000 0.239 188 R C 2.219 178.226 176.300 -0.489 0.000 1.137 188 R CA 2.253 58.079 56.100 -0.457 0.000 0.943 188 R CB -0.408 29.407 30.300 -0.808 0.000 0.850 188 R HN 0.227 nan 8.270 nan 0.000 0.433 189 F N 0.463 120.317 119.950 -0.159 0.000 2.270 189 F HA 0.009 4.536 4.527 0.000 0.000 0.295 189 F C 2.044 177.713 175.800 -0.219 0.000 1.087 189 F CA 0.408 58.306 58.000 -0.170 0.000 1.365 189 F CB -0.451 38.441 39.000 -0.180 0.000 1.056 189 F HN -0.064 nan 8.300 nan 0.000 0.506 190 N N 0.193 118.804 118.700 -0.148 0.000 2.443 190 N HA -0.130 4.610 4.740 0.000 0.000 0.184 190 N C 0.538 175.970 175.510 -0.130 0.000 1.037 190 N CA 1.156 54.042 53.050 -0.273 0.000 0.896 190 N CB -0.372 37.750 38.487 -0.609 0.000 0.959 190 N HN 0.294 nan 8.380 nan 0.000 0.442 191 D N -0.690 119.651 120.400 -0.098 0.000 2.395 191 D HA 0.168 4.808 4.640 0.000 0.000 0.213 191 D C 1.005 177.274 176.300 -0.052 0.000 1.110 191 D CA 0.034 54.003 54.000 -0.052 0.000 0.835 191 D CB 0.262 41.037 40.800 -0.042 0.000 0.965 191 D HN 0.096 nan 8.370 nan 0.000 0.505 192 G N -0.667 108.100 108.800 -0.055 0.000 2.557 192 G HA2 0.321 4.281 3.960 0.000 0.000 0.302 192 G HA3 0.321 4.281 3.960 0.000 0.000 0.302 192 G C 0.902 175.792 174.900 -0.016 0.000 1.311 192 G CA -0.175 44.902 45.100 -0.038 0.000 1.030 192 G HN -0.042 nan 8.290 nan 0.000 0.509 193 T N -0.490 114.060 114.554 -0.007 0.000 3.010 193 T HA 0.037 4.388 4.350 0.000 0.000 0.252 193 T C 0.781 175.486 174.700 0.007 0.000 1.047 193 T CA 0.433 62.533 62.100 -0.000 0.000 1.140 193 T CB -0.037 68.831 68.868 -0.001 0.000 0.885 193 T HN 0.419 nan 8.240 nan 0.000 0.464 194 D N 2.107 122.517 120.400 0.018 0.000 2.385 194 D HA 0.047 4.687 4.640 0.000 0.000 0.260 194 D C 1.020 177.330 176.300 0.015 0.000 1.326 194 D CA 0.036 54.051 54.000 0.025 0.000 1.023 194 D CB 0.733 41.560 40.800 0.045 0.000 1.083 194 D HN 0.122 nan 8.370 nan 0.000 0.517 195 E N 2.826 123.029 120.200 0.004 0.000 2.153 195 E HA -0.165 4.185 4.350 0.000 0.000 0.194 195 E C 1.479 178.065 176.600 -0.023 0.000 0.988 195 E CA 1.225 57.619 56.400 -0.010 0.000 0.811 195 E CB 0.251 29.952 29.700 0.002 0.000 0.746 195 E HN 0.432 nan 8.360 nan 0.000 0.466 196 K N -0.057 120.347 120.400 0.006 0.000 2.097 196 K HA -0.082 4.238 4.320 0.000 0.000 0.206 196 K C 1.879 178.540 176.600 0.102 0.000 1.049 196 K CA 1.137 57.458 56.287 0.057 0.000 0.933 196 K CB -0.003 32.542 32.500 0.075 0.000 0.717 196 K HN 0.003 nan 8.250 nan 0.000 0.442 197 K N 1.085 121.491 120.400 0.010 0.000 2.418 197 K HA 0.028 4.348 4.320 0.000 0.000 0.195 197 K C 0.241 176.734 176.600 -0.179 0.000 1.035 197 K CA 0.283 56.507 56.287 -0.106 0.000 1.003 197 K CB 0.216 32.686 32.500 -0.050 0.000 0.793 197 K HN 0.106 nan 8.250 nan 0.000 0.494 198 K N 1.230 121.559 120.400 -0.118 0.000 2.380 198 K HA 0.076 4.396 4.320 0.000 0.000 0.267 198 K C -0.495 175.896 176.600 -0.347 0.000 0.990 198 K CA 0.039 56.166 56.287 -0.267 0.000 0.946 198 K CB 0.430 32.712 32.500 -0.362 0.000 0.937 198 K HN -0.140 nan 8.250 nan 0.000 0.491 199 L N 3.162 124.079 121.223 -0.510 0.000 2.541 199 L HA 0.254 4.594 4.340 0.000 0.000 0.266 199 L C -1.787 174.789 176.870 -0.489 0.000 0.966 199 L CA -0.358 54.249 54.840 -0.389 0.000 0.871 199 L CB 0.915 42.825 42.059 -0.248 0.000 1.232 199 L HN 0.421 nan 8.230 nan 0.000 0.408 200 Y N 3.562 123.724 120.300 -0.230 0.000 2.359 200 Y HA 0.461 5.011 4.550 0.000 0.000 0.334 200 Y C 0.666 176.526 175.900 -0.067 0.000 1.058 200 Y CA -0.085 57.877 58.100 -0.230 0.000 1.244 200 Y CB 0.771 38.783 38.460 -0.746 0.000 1.187 200 Y HN 0.540 nan 8.280 nan 0.000 0.510 201 C N 4.699 124.141 119.300 0.237 0.000 2.358 201 C HA 0.772 5.233 4.460 0.000 0.000 0.354 201 C C 0.129 175.220 174.990 0.168 0.000 1.183 201 C CA -1.086 58.042 59.018 0.183 0.000 2.150 201 C CB 0.373 28.242 27.740 0.215 0.000 2.361 201 C HN 0.684 nan 8.230 nan 0.000 0.535 202 I N 0.764 121.410 120.570 0.126 0.000 2.722 202 I HA 0.346 4.516 4.170 0.000 0.000 0.295 202 I C -1.460 174.722 176.117 0.108 0.000 1.161 202 I CA -0.546 60.823 61.300 0.116 0.000 1.032 202 I CB 1.885 39.943 38.000 0.097 0.000 1.244 202 I HN 0.620 nan 8.210 nan 0.000 0.421 203 Y N 5.571 125.854 120.300 -0.028 0.000 2.329 203 Y HA 0.621 5.171 4.550 0.000 0.000 0.328 203 Y C -1.284 174.597 175.900 -0.031 0.000 0.992 203 Y CA -0.741 57.331 58.100 -0.046 0.000 1.151 203 Y CB 1.559 40.003 38.460 -0.028 0.000 1.150 203 Y HN 0.222 nan 8.280 nan 0.000 0.450 204 V N 6.110 125.763 119.914 -0.436 0.000 2.347 204 V HA 0.698 4.818 4.120 0.000 0.000 0.280 204 V C -0.057 175.762 176.094 -0.458 0.000 1.021 204 V CA -0.596 61.531 62.300 -0.288 0.000 0.847 204 V CB 1.003 32.752 31.823 -0.123 0.000 0.990 204 V HN 0.910 nan 8.190 nan 0.000 0.444 205 A N 7.157 129.825 122.820 -0.254 0.000 2.252 205 A HA 0.833 5.153 4.320 0.000 0.000 0.309 205 A C -0.506 177.035 177.584 -0.071 0.000 1.285 205 A CA -0.337 51.602 52.037 -0.162 0.000 0.900 205 A CB 0.080 19.099 19.000 0.032 0.000 1.157 205 A HN 0.797 nan 8.150 nan 0.000 0.536 206 I N 2.268 122.799 120.570 -0.065 0.000 2.389 206 I HA 0.516 4.686 4.170 0.000 0.000 0.288 206 I C 1.243 177.363 176.117 0.004 0.000 0.999 206 I CA -0.020 61.267 61.300 -0.022 0.000 1.129 206 I CB 1.731 39.716 38.000 -0.026 0.000 1.288 206 I HN 0.934 nan 8.210 nan 0.000 0.444 207 G N 3.894 112.706 108.800 0.020 0.000 2.196 207 G HA2 -0.329 3.631 3.960 0.000 0.000 0.268 207 G HA3 -0.329 3.631 3.960 0.000 0.000 0.268 207 G C 0.411 175.329 174.900 0.029 0.000 0.975 207 G CA 0.383 45.500 45.100 0.029 0.000 0.648 207 G HN 0.655 nan 8.290 nan 0.000 0.538 208 Q N 0.161 119.979 119.800 0.030 0.000 2.492 208 Q HA 0.439 4.779 4.340 0.000 0.000 0.238 208 Q C 0.681 176.707 176.000 0.042 0.000 1.045 208 Q CA -0.117 55.711 55.803 0.043 0.000 0.934 208 Q CB 0.361 29.138 28.738 0.066 0.000 1.276 208 Q HN 0.384 nan 8.270 nan 0.000 0.521 209 K N 1.470 121.895 120.400 0.042 0.000 2.218 209 K HA 0.100 4.420 4.320 0.000 0.000 0.276 209 K C 0.676 177.300 176.600 0.039 0.000 1.022 209 K CA -0.158 56.150 56.287 0.035 0.000 0.946 209 K CB 0.674 33.191 32.500 0.029 0.000 1.000 209 K HN 0.591 nan 8.250 nan 0.000 0.468 210 R N 1.070 121.590 120.500 0.033 0.000 2.091 210 R HA -0.125 4.215 4.340 0.000 0.000 0.238 210 R C 2.005 178.321 176.300 0.027 0.000 1.136 210 R CA 1.969 58.088 56.100 0.032 0.000 0.959 210 R CB -0.194 30.121 30.300 0.025 0.000 0.856 210 R HN 0.636 nan 8.270 nan 0.000 0.437 211 S N 0.089 115.801 115.700 0.022 0.000 2.387 211 S HA -0.162 4.308 4.470 0.000 0.000 0.230 211 S C 1.889 176.498 174.600 0.016 0.000 1.035 211 S CA 1.942 60.151 58.200 0.016 0.000 1.014 211 S CB -0.336 62.873 63.200 0.015 0.000 0.836 211 S HN 0.416 nan 8.310 nan 0.000 0.466 212 T N 2.091 116.660 114.554 0.025 0.000 2.732 212 T HA -0.002 4.348 4.350 0.000 0.000 0.261 212 T C 2.000 176.716 174.700 0.026 0.000 1.040 212 T CA 1.169 63.286 62.100 0.028 0.000 1.145 212 T CB -0.484 68.411 68.868 0.044 0.000 0.866 212 T HN 0.245 nan 8.240 nan 0.000 0.427 213 V N 1.955 121.898 119.914 0.048 0.000 2.568 213 V HA -0.158 3.962 4.120 0.000 0.000 0.253 213 V C 2.847 178.948 176.094 0.011 0.000 1.072 213 V CA 1.535 63.869 62.300 0.057 0.000 1.084 213 V CB -1.301 30.576 31.823 0.090 0.000 0.676 213 V HN 0.525 nan 8.190 nan 0.000 0.469 214 A N -0.755 122.068 122.820 0.006 0.000 1.873 214 A HA -0.188 4.132 4.320 0.000 0.000 0.215 214 A C 2.220 179.787 177.584 -0.029 0.000 1.186 214 A CA 1.311 53.342 52.037 -0.009 0.000 0.616 214 A CB -0.424 18.574 19.000 -0.003 0.000 0.823 214 A HN 0.481 nan 8.150 nan 0.000 0.442 215 Q N -0.629 119.155 119.800 -0.027 0.000 2.170 215 Q HA -0.099 4.241 4.340 0.000 0.000 0.203 215 Q C 2.068 178.024 176.000 -0.073 0.000 0.976 215 Q CA 0.712 56.490 55.803 -0.041 0.000 0.858 215 Q CB -0.450 28.274 28.738 -0.024 0.000 0.907 215 Q HN 0.573 nan 8.270 nan 0.000 0.433 216 L N 0.946 122.121 121.223 -0.081 0.000 1.976 216 L HA -0.139 4.201 4.340 0.000 0.000 0.209 216 L C 2.481 179.256 176.870 -0.160 0.000 1.071 216 L CA 1.927 56.677 54.840 -0.150 0.000 0.746 216 L CB -1.172 40.767 42.059 -0.199 0.000 0.890 216 L HN 0.186 nan 8.230 nan 0.000 0.432 217 V N -1.761 118.084 119.914 -0.116 0.000 2.490 217 V HA -0.261 3.859 4.120 0.000 0.000 0.250 217 V C 2.620 178.652 176.094 -0.103 0.000 1.061 217 V CA 2.040 64.278 62.300 -0.103 0.000 1.064 217 V CB -0.996 30.791 31.823 -0.059 0.000 0.670 217 V HN 0.485 nan 8.190 nan 0.000 0.461 218 K N 0.544 120.889 120.400 -0.091 0.000 2.002 218 K HA -0.244 4.076 4.320 0.000 0.000 0.209 218 K C 2.509 179.035 176.600 -0.123 0.000 1.048 218 K CA 1.961 58.194 56.287 -0.090 0.000 0.930 218 K CB -0.242 32.214 32.500 -0.073 0.000 0.714 218 K HN 0.423 nan 8.250 nan 0.000 0.438 219 R N 0.676 121.084 120.500 -0.154 0.000 2.083 219 R HA -0.045 4.295 4.340 0.000 0.000 0.237 219 R C 2.312 178.486 176.300 -0.210 0.000 1.137 219 R CA 1.451 57.417 56.100 -0.223 0.000 0.951 219 R CB -0.316 29.817 30.300 -0.279 0.000 0.851 219 R HN 0.243 nan 8.270 nan 0.000 0.434 220 L N -0.592 120.520 121.223 -0.184 0.000 2.131 220 L HA -0.177 4.163 4.340 0.000 0.000 0.210 220 L C 2.123 178.896 176.870 -0.161 0.000 1.092 220 L CA 1.570 56.303 54.840 -0.178 0.000 0.759 220 L CB -0.513 41.433 42.059 -0.188 0.000 0.903 220 L HN 0.328 nan 8.230 nan 0.000 0.435 221 T N -1.025 113.447 114.554 -0.135 0.000 2.777 221 T HA -0.147 4.203 4.350 0.000 0.000 0.266 221 T C 1.409 176.050 174.700 -0.100 0.000 1.040 221 T CA 1.346 63.381 62.100 -0.109 0.000 1.141 221 T CB -0.185 68.632 68.868 -0.085 0.000 0.868 221 T HN 0.324 nan 8.240 nan 0.000 0.444 222 D N 1.642 121.976 120.400 -0.110 0.000 2.178 222 D HA 0.004 4.645 4.640 0.000 0.000 0.201 222 D C 2.133 178.374 176.300 -0.098 0.000 0.980 222 D CA 1.018 54.957 54.000 -0.102 0.000 0.842 222 D CB -0.339 40.386 40.800 -0.124 0.000 0.948 222 D HN 0.429 nan 8.370 nan 0.000 0.472 223 A N 0.356 123.105 122.820 -0.118 0.000 2.167 223 A HA -0.062 4.258 4.320 0.000 0.000 0.214 223 A C 0.788 178.335 177.584 -0.061 0.000 1.151 223 A CA 0.939 52.923 52.037 -0.088 0.000 0.735 223 A CB -0.025 18.916 19.000 -0.099 0.000 0.802 223 A HN 0.087 nan 8.150 nan 0.000 0.467 224 D N -3.283 117.067 120.400 -0.083 0.000 3.041 224 D HA -0.209 4.431 4.640 0.000 0.000 0.220 224 D C 0.854 177.080 176.300 -0.124 0.000 1.157 224 D CA 1.170 55.128 54.000 -0.071 0.000 0.876 224 D CB -1.364 39.425 40.800 -0.019 0.000 1.107 224 D HN 0.523 nan 8.370 nan 0.000 0.422 225 A N -0.686 121.991 122.820 -0.238 0.000 2.081 225 A HA 0.057 4.377 4.320 0.000 0.000 0.214 225 A C 2.173 179.229 177.584 -0.881 0.000 1.158 225 A CA 0.925 52.595 52.037 -0.610 0.000 0.724 225 A CB -0.164 18.645 19.000 -0.320 0.000 0.826 225 A HN 0.303 nan 8.150 nan 0.000 0.463 226 M N 0.984 120.330 119.600 -0.422 0.000 2.195 226 M HA -0.209 4.271 4.480 0.000 0.000 0.260 226 M C 2.028 178.173 176.300 -0.259 0.000 1.066 226 M CA 2.072 57.197 55.300 -0.291 0.000 1.089 226 M CB -0.977 31.526 32.600 -0.161 0.000 1.377 226 M HN 0.720 nan 8.290 nan 0.000 0.411 227 K N 0.475 120.734 120.400 -0.235 0.000 2.362 227 K HA -0.190 4.130 4.320 0.000 0.000 0.202 227 K C 0.556 177.192 176.600 0.060 0.000 1.045 227 K CA 1.690 57.947 56.287 -0.049 0.000 0.936 227 K CB -0.601 31.927 32.500 0.045 0.000 0.747 227 K HN 0.535 nan 8.250 nan 0.000 0.467 228 Y N -1.332 119.007 120.300 0.065 0.000 2.696 228 Y HA 0.491 5.041 4.550 0.000 0.000 0.255 228 Y C -0.975 174.982 175.900 0.096 0.000 1.103 228 Y CA -1.167 57.003 58.100 0.116 0.000 1.126 228 Y CB 0.145 38.648 38.460 0.072 0.000 1.197 228 Y HN -0.183 nan 8.280 nan 0.000 0.574 229 T N 2.706 117.237 114.554 -0.038 0.000 2.921 229 T HA 0.583 4.934 4.350 0.000 0.000 0.297 229 T C -0.619 174.108 174.700 0.044 0.000 1.013 229 T CA -0.404 61.698 62.100 0.003 0.000 0.990 229 T CB 1.737 70.530 68.868 -0.126 0.000 1.023 229 T HN 0.231 nan 8.240 nan 0.000 0.447 230 I N 2.601 123.232 120.570 0.101 0.000 2.354 230 I HA 0.474 4.644 4.170 0.000 0.000 0.292 230 I C -0.441 175.734 176.117 0.097 0.000 0.989 230 I CA -1.095 60.262 61.300 0.096 0.000 1.188 230 I CB 1.731 39.806 38.000 0.125 0.000 1.342 230 I HN 0.254 nan 8.210 nan 0.000 0.457 231 V N 7.318 127.281 119.914 0.083 0.000 2.311 231 V HA 0.231 4.351 4.120 0.000 0.000 0.275 231 V C 0.050 176.196 176.094 0.086 0.000 1.022 231 V CA -0.643 61.727 62.300 0.117 0.000 0.830 231 V CB 1.474 33.359 31.823 0.103 0.000 1.012 231 V HN 0.411 nan 8.190 nan 0.000 0.452 232 V N 4.246 124.204 119.914 0.072 0.000 2.334 232 V HA 0.334 4.454 4.120 0.000 0.000 0.267 232 V C 0.537 176.653 176.094 0.036 0.000 1.040 232 V CA 0.063 62.389 62.300 0.043 0.000 0.866 232 V CB 1.303 33.142 31.823 0.026 0.000 1.019 232 V HN 0.817 nan 8.190 nan 0.000 0.468 233 S N 3.950 119.678 115.700 0.046 0.000 2.489 233 S HA 0.770 5.241 4.470 0.000 0.000 0.291 233 S C 0.168 174.788 174.600 0.033 0.000 1.151 233 S CA 0.045 58.272 58.200 0.045 0.000 1.082 233 S CB 1.225 64.459 63.200 0.056 0.000 1.019 233 S HN 1.041 nan 8.310 nan 0.000 0.492 234 A N 3.843 126.678 122.820 0.024 0.000 3.409 234 A HA 0.461 4.781 4.320 0.000 0.000 0.282 234 A C 0.338 177.936 177.584 0.022 0.000 1.064 234 A CA -0.611 51.440 52.037 0.024 0.000 0.889 234 A CB -0.390 18.621 19.000 0.018 0.000 1.251 234 A HN 0.856 nan 8.150 nan 0.000 0.538 235 T N -1.908 112.662 114.554 0.027 0.000 2.701 235 T HA 0.450 4.800 4.350 0.000 0.000 0.303 235 T C 1.609 176.323 174.700 0.024 0.000 1.030 235 T CA 0.187 62.304 62.100 0.028 0.000 1.010 235 T CB 0.817 69.703 68.868 0.031 0.000 1.007 235 T HN 1.194 nan 8.240 nan 0.000 0.532 236 A N 0.697 123.532 122.820 0.024 0.000 2.024 236 A HA -0.063 4.257 4.320 0.000 0.000 0.220 236 A C 2.558 180.151 177.584 0.016 0.000 1.164 236 A CA 1.894 53.944 52.037 0.021 0.000 0.643 236 A CB -1.465 17.547 19.000 0.021 0.000 0.806 236 A HN 0.839 nan 8.150 nan 0.000 0.451 237 S N 0.472 116.182 115.700 0.017 0.000 2.382 237 S HA -0.076 4.394 4.470 0.000 0.000 0.228 237 S C 0.575 175.182 174.600 0.011 0.000 1.027 237 S CA 0.657 58.865 58.200 0.014 0.000 0.991 237 S CB -0.356 62.853 63.200 0.016 0.000 0.823 237 S HN 0.643 nan 8.310 nan 0.000 0.469 238 D N 1.824 122.232 120.400 0.014 0.000 2.372 238 D HA 0.416 5.056 4.640 0.000 0.000 0.243 238 D C 0.232 176.532 176.300 -0.001 0.000 1.121 238 D CA 0.101 54.108 54.000 0.011 0.000 0.898 238 D CB 0.784 41.594 40.800 0.018 0.000 1.202 238 D HN 0.258 nan 8.370 nan 0.000 0.428 239 A N 1.171 123.983 122.820 -0.014 0.000 2.448 239 A HA 0.345 4.665 4.320 0.000 0.000 0.239 239 A C 1.406 178.959 177.584 -0.053 0.000 1.080 239 A CA 0.370 52.386 52.037 -0.036 0.000 0.779 239 A CB 0.334 19.305 19.000 -0.048 0.000 1.026 239 A HN 0.649 nan 8.150 nan 0.000 0.499 240 A N 2.156 124.947 122.820 -0.049 0.000 1.884 240 A HA -0.119 4.201 4.320 0.000 0.000 0.219 240 A C -0.086 177.471 177.584 -0.045 0.000 1.197 240 A CA 2.322 54.343 52.037 -0.027 0.000 0.637 240 A CB -1.952 17.027 19.000 -0.034 0.000 0.827 240 A HN 0.646 nan 8.150 nan 0.000 0.450 241 P HA -0.171 nan 4.420 nan 0.000 0.217 241 P C 1.417 178.499 177.300 -0.364 0.000 1.151 241 P CA 1.085 63.949 63.100 -0.393 0.000 0.849 241 P CB -0.148 30.959 31.700 -0.988 0.000 0.787 242 L N -1.106 119.947 121.223 -0.283 0.000 2.027 242 L HA -0.183 4.157 4.340 0.000 0.000 0.206 242 L C 2.576 179.444 176.870 -0.004 0.000 1.074 242 L CA 1.528 56.308 54.840 -0.099 0.000 0.745 242 L CB -1.054 40.990 42.059 -0.024 0.000 0.898 242 L HN -0.007 nan 8.230 nan 0.000 0.433 243 Q N -1.020 118.791 119.800 0.019 0.000 2.226 243 Q HA -0.244 4.096 4.340 0.000 0.000 0.204 243 Q C 2.040 178.100 176.000 0.099 0.000 0.975 243 Q CA 1.707 57.541 55.803 0.051 0.000 0.866 243 Q CB -0.217 28.556 28.738 0.058 0.000 0.915 243 Q HN 0.528 nan 8.270 nan 0.000 0.440 244 Y N 0.669 120.984 120.300 0.026 0.000 2.220 244 Y HA -0.151 4.399 4.550 0.000 0.000 0.291 244 Y C 1.843 177.861 175.900 0.196 0.000 1.129 244 Y CA 0.875 59.040 58.100 0.107 0.000 1.161 244 Y CB -0.218 38.318 38.460 0.126 0.000 0.997 244 Y HN 0.048 nan 8.280 nan 0.000 0.522 245 L N 0.882 122.009 121.223 -0.161 0.000 2.131 245 L HA 0.107 4.447 4.340 0.000 0.000 0.206 245 L C 2.563 179.442 176.870 0.015 0.000 1.087 245 L CA 1.726 56.493 54.840 -0.121 0.000 0.767 245 L CB -1.365 40.746 42.059 0.087 0.000 0.917 245 L HN 0.322 nan 8.230 nan 0.000 0.441 246 A N 0.565 123.384 122.820 -0.002 0.000 1.894 246 A HA -0.274 4.046 4.320 0.000 0.000 0.220 246 A C 0.089 177.646 177.584 -0.047 0.000 1.237 246 A CA 2.702 54.736 52.037 -0.005 0.000 0.660 246 A CB -2.290 16.705 19.000 -0.008 0.000 0.835 246 A HN 0.419 nan 8.150 nan 0.000 0.461 247 P HA -0.163 nan 4.420 nan 0.000 0.216 247 P C 0.905 178.025 177.300 -0.300 0.000 1.150 247 P CA 1.526 64.463 63.100 -0.272 0.000 0.843 247 P CB -0.203 31.101 31.700 -0.660 0.000 0.787 248 Y N -0.863 119.358 120.300 -0.131 0.000 2.220 248 Y HA -0.074 4.476 4.550 0.000 0.000 0.291 248 Y C 2.633 178.511 175.900 -0.038 0.000 1.129 248 Y CA 1.129 59.161 58.100 -0.113 0.000 1.161 248 Y CB -1.325 37.016 38.460 -0.198 0.000 0.997 248 Y HN -0.110 nan 8.280 nan 0.000 0.522 249 S N 0.084 115.849 115.700 0.108 0.000 2.353 249 S HA -0.212 4.258 4.470 0.000 0.000 0.222 249 S C 2.439 177.073 174.600 0.057 0.000 1.035 249 S CA 1.458 59.702 58.200 0.073 0.000 1.025 249 S CB -1.150 62.088 63.200 0.064 0.000 0.902 249 S HN 0.660 nan 8.310 nan 0.000 0.440 250 G N 0.007 108.841 108.800 0.057 0.000 2.432 250 G HA2 -0.267 3.693 3.960 0.000 0.000 0.219 250 G HA3 -0.267 3.693 3.960 0.000 0.000 0.219 250 G C 1.709 176.657 174.900 0.079 0.000 1.135 250 G CA 1.061 46.196 45.100 0.057 0.000 0.767 250 G HN 0.596 nan 8.290 nan 0.000 0.550 251 C N 0.524 119.893 119.300 0.115 0.000 2.432 251 C HA -0.015 4.446 4.460 0.000 0.000 0.277 251 C C 3.247 178.292 174.990 0.092 0.000 1.249 251 C CA 1.760 60.857 59.018 0.131 0.000 1.725 251 C CB -0.933 26.888 27.740 0.136 0.000 2.028 251 C HN 0.361 nan 8.230 nan 0.000 0.477 252 S N 0.714 116.457 115.700 0.071 0.000 2.382 252 S HA -0.170 4.300 4.470 0.000 0.000 0.228 252 S C 1.751 176.357 174.600 0.009 0.000 1.027 252 S CA 2.074 60.300 58.200 0.044 0.000 0.991 252 S CB -0.406 62.813 63.200 0.032 0.000 0.823 252 S HN 0.669 nan 8.310 nan 0.000 0.469 253 M N 0.847 120.443 119.600 -0.007 0.000 2.159 253 M HA -0.058 4.422 4.480 0.000 0.000 0.263 253 M C 2.419 178.671 176.300 -0.080 0.000 1.063 253 M CA 1.525 56.777 55.300 -0.080 0.000 1.110 253 M CB -0.738 31.847 32.600 -0.024 0.000 1.374 253 M HN 0.454 nan 8.290 nan 0.000 0.411 254 G N -0.164 108.687 108.800 0.085 0.000 2.408 254 G HA2 -0.115 3.845 3.960 0.000 0.000 0.215 254 G HA3 -0.115 3.845 3.960 0.000 0.000 0.215 254 G C 1.311 176.325 174.900 0.191 0.000 1.156 254 G CA 0.208 45.454 45.100 0.243 0.000 0.793 254 G HN 0.460 nan 8.290 nan 0.000 0.535 255 E N -0.481 119.783 120.200 0.106 0.000 2.209 255 E HA -0.177 4.173 4.350 0.000 0.000 0.196 255 E C 1.875 178.511 176.600 0.061 0.000 0.993 255 E CA 0.680 57.134 56.400 0.090 0.000 0.819 255 E CB -0.213 29.528 29.700 0.068 0.000 0.745 255 E HN 0.589 nan 8.360 nan 0.000 0.477 256 Y N 0.872 121.072 120.300 -0.167 0.000 2.053 256 Y HA -0.319 4.231 4.550 0.000 0.000 0.277 256 Y C 1.834 177.619 175.900 -0.192 0.000 1.159 256 Y CA 1.842 59.782 58.100 -0.268 0.000 1.125 256 Y CB -0.493 37.652 38.460 -0.525 0.000 0.969 256 Y HN -0.070 nan 8.280 nan 0.000 0.492 257 F N 0.413 120.409 119.950 0.077 0.000 2.095 257 F HA -0.205 4.322 4.527 0.000 0.000 0.298 257 F C 2.771 178.546 175.800 -0.042 0.000 1.104 257 F CA 1.957 59.941 58.000 -0.027 0.000 1.232 257 F CB -1.204 37.856 39.000 0.099 0.000 0.987 257 F HN 0.010 nan 8.300 nan 0.000 0.475 258 R N 0.762 121.388 120.500 0.209 0.000 2.082 258 R HA -0.175 4.165 4.340 0.000 0.000 0.234 258 R C 1.375 177.716 176.300 0.069 0.000 1.136 258 R CA 2.193 58.381 56.100 0.146 0.000 0.935 258 R CB -0.566 29.816 30.300 0.136 0.000 0.842 258 R HN 0.222 nan 8.270 nan 0.000 0.430 259 D N -0.146 120.265 120.400 0.019 0.000 2.338 259 D HA -0.043 4.598 4.640 0.000 0.000 0.239 259 D C -0.042 176.214 176.300 -0.074 0.000 1.095 259 D CA 0.665 54.666 54.000 0.002 0.000 0.888 259 D CB -0.080 40.723 40.800 0.005 0.000 0.899 259 D HN 0.452 nan 8.370 nan 0.000 0.525 260 N N -0.799 117.830 118.700 -0.118 0.000 2.365 260 N HA 0.183 4.923 4.740 0.000 0.000 0.257 260 N C 1.007 176.464 175.510 -0.089 0.000 1.287 260 N CA -0.072 52.877 53.050 -0.168 0.000 0.882 260 N CB 1.616 39.878 38.487 -0.375 0.000 1.250 260 N HN 0.029 nan 8.380 nan 0.000 0.507 261 G N 1.216 109.988 108.800 -0.046 0.000 2.302 261 G HA2 -0.357 3.603 3.960 0.000 0.000 0.263 261 G HA3 -0.357 3.603 3.960 0.000 0.000 0.263 261 G C 0.273 175.056 174.900 -0.194 0.000 0.995 261 G CA 0.538 45.598 45.100 -0.068 0.000 0.622 261 G HN 0.293 nan 8.290 nan 0.000 0.538 262 K N 0.280 120.617 120.400 -0.105 0.000 2.138 262 K HA 0.536 4.856 4.320 0.000 0.000 0.251 262 K C -0.161 176.375 176.600 -0.106 0.000 1.015 262 K CA -0.274 55.953 56.287 -0.101 0.000 0.917 262 K CB 0.372 32.986 32.500 0.189 0.000 1.021 262 K HN 0.570 nan 8.250 nan 0.000 0.485 263 H N -0.780 118.374 119.070 0.140 0.000 2.489 263 H HA 0.509 5.065 4.556 0.000 0.000 0.343 263 H C -0.866 174.509 175.328 0.080 0.000 1.086 263 H CA -0.951 55.140 56.048 0.072 0.000 1.198 263 H CB 1.915 31.658 29.762 -0.033 0.000 1.490 263 H HN 0.642 nan 8.280 nan 0.000 0.504 264 A N 2.619 125.580 122.820 0.234 0.000 2.386 264 A HA 0.704 5.024 4.320 0.000 0.000 0.308 264 A C -1.616 176.034 177.584 0.110 0.000 1.128 264 A CA -0.682 51.464 52.037 0.182 0.000 0.789 264 A CB 1.520 20.749 19.000 0.380 0.000 1.325 264 A HN 0.513 nan 8.150 nan 0.000 0.437 265 L N 0.764 122.036 121.223 0.081 0.000 2.431 265 L HA 0.844 5.184 4.340 0.000 0.000 0.266 265 L C -1.250 175.623 176.870 0.006 0.000 0.978 265 L CA -0.392 54.465 54.840 0.027 0.000 0.822 265 L CB 1.626 43.695 42.059 0.017 0.000 1.310 265 L HN 0.747 nan 8.230 nan 0.000 0.409 266 I N 4.499 125.012 120.570 -0.096 0.000 2.619 266 I HA 0.584 4.754 4.170 0.000 0.000 0.292 266 I C -1.578 174.284 176.117 -0.424 0.000 1.100 266 I CA -0.565 60.587 61.300 -0.246 0.000 1.043 266 I CB 1.797 39.593 38.000 -0.339 0.000 1.239 266 I HN 0.612 nan 8.210 nan 0.000 0.420 267 I N 7.630 127.971 120.570 -0.381 0.000 2.404 267 I HA 0.302 4.472 4.170 0.000 0.000 0.293 267 I C -1.221 174.589 176.117 -0.512 0.000 0.992 267 I CA -0.206 60.893 61.300 -0.335 0.000 1.149 267 I CB 1.412 39.396 38.000 -0.027 0.000 1.315 267 I HN 0.306 nan 8.210 nan 0.000 0.446 268 Y N 4.115 124.305 120.300 -0.184 0.000 2.717 268 Y HA 0.376 4.926 4.550 0.000 0.000 0.329 268 Y C -0.038 175.716 175.900 -0.244 0.000 1.017 268 Y CA -0.852 57.102 58.100 -0.243 0.000 1.275 268 Y CB 0.558 38.877 38.460 -0.235 0.000 1.109 268 Y HN 0.433 nan 8.280 nan 0.000 0.511 269 D N 2.692 122.959 120.400 -0.222 0.000 2.440 269 D HA 0.163 4.803 4.640 0.000 0.000 0.239 269 D C -1.478 174.732 176.300 -0.149 0.000 1.084 269 D CA -0.324 53.571 54.000 -0.175 0.000 0.843 269 D CB 1.247 41.926 40.800 -0.202 0.000 1.097 269 D HN 0.563 nan 8.370 nan 0.000 0.531 270 D N 3.490 123.849 120.400 -0.068 0.000 2.505 270 D HA 0.206 4.846 4.640 0.000 0.000 0.249 270 D C 1.285 177.554 176.300 -0.052 0.000 1.082 270 D CA -0.635 53.337 54.000 -0.047 0.000 0.839 270 D CB 1.771 42.561 40.800 -0.017 0.000 1.317 270 D HN 0.253 nan 8.370 nan 0.000 0.497 271 L N 2.004 123.167 121.223 -0.100 0.000 2.191 271 L HA -0.112 4.228 4.340 0.000 0.000 0.212 271 L C 1.878 178.714 176.870 -0.057 0.000 1.103 271 L CA 0.801 55.532 54.840 -0.182 0.000 0.769 271 L CB -0.241 41.541 42.059 -0.463 0.000 0.908 271 L HN 0.423 nan 8.230 nan 0.000 0.438 272 S N -0.271 115.413 115.700 -0.026 0.000 2.383 272 S HA -0.155 4.315 4.470 0.000 0.000 0.227 272 S C 1.861 176.524 174.600 0.105 0.000 1.026 272 S CA 1.099 59.327 58.200 0.047 0.000 0.981 272 S CB -0.050 63.173 63.200 0.039 0.000 0.818 272 S HN 0.412 nan 8.310 nan 0.000 0.472 273 K N 1.113 121.557 120.400 0.074 0.000 2.155 273 K HA -0.049 4.271 4.320 0.000 0.000 0.203 273 K C 2.416 179.086 176.600 0.116 0.000 1.052 273 K CA 0.739 57.079 56.287 0.088 0.000 0.948 273 K CB -0.130 32.402 32.500 0.052 0.000 0.728 273 K HN 0.364 nan 8.250 nan 0.000 0.448 274 Q N 1.072 120.937 119.800 0.110 0.000 2.046 274 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 274 Q C 2.100 178.243 176.000 0.239 0.000 0.975 274 Q CA 1.555 57.447 55.803 0.149 0.000 0.836 274 Q CB -0.105 28.692 28.738 0.097 0.000 0.896 274 Q HN 0.286 nan 8.270 nan 0.000 0.428 275 A N 0.408 123.380 122.820 0.253 0.000 1.865 275 A HA -0.177 4.143 4.320 0.000 0.000 0.217 275 A C 2.286 180.119 177.584 0.414 0.000 1.191 275 A CA 1.873 54.073 52.037 0.272 0.000 0.623 275 A CB -1.024 18.060 19.000 0.139 0.000 0.826 275 A HN 0.311 nan 8.150 nan 0.000 0.444 276 V N -0.068 120.072 119.914 0.377 0.000 2.282 276 V HA -0.317 3.803 4.120 0.000 0.000 0.249 276 V C 3.068 179.264 176.094 0.169 0.000 1.057 276 V CA 2.213 64.686 62.300 0.288 0.000 1.032 276 V CB -1.432 30.504 31.823 0.188 0.000 0.645 276 V HN 0.655 nan 8.190 nan 0.000 0.447 277 A N -0.968 121.952 122.820 0.166 0.000 1.908 277 A HA -0.294 4.026 4.320 0.000 0.000 0.218 277 A C 2.185 179.840 177.584 0.119 0.000 1.181 277 A CA 2.253 54.362 52.037 0.120 0.000 0.627 277 A CB -0.834 18.248 19.000 0.137 0.000 0.818 277 A HN 0.643 nan 8.150 nan 0.000 0.445 278 Y N 0.480 120.823 120.300 0.072 0.000 2.181 278 Y HA -0.211 4.339 4.550 0.000 0.000 0.288 278 Y C 2.495 178.389 175.900 -0.010 0.000 1.146 278 Y CA 2.035 60.129 58.100 -0.011 0.000 1.164 278 Y CB -0.428 38.061 38.460 0.048 0.000 0.982 278 Y HN 0.359 nan 8.280 nan 0.000 0.515 279 R N 0.246 120.757 120.500 0.018 0.000 2.091 279 R HA -0.261 4.079 4.340 0.000 0.000 0.238 279 R C 2.473 178.668 176.300 -0.174 0.000 1.136 279 R CA 2.060 58.107 56.100 -0.089 0.000 0.959 279 R CB -0.471 29.780 30.300 -0.081 0.000 0.856 279 R HN 0.569 nan 8.270 nan 0.000 0.437 280 Q N 0.297 120.026 119.800 -0.118 0.000 2.020 280 Q HA -0.255 4.085 4.340 0.000 0.000 0.202 280 Q C 2.216 178.125 176.000 -0.152 0.000 0.982 280 Q CA 2.128 57.864 55.803 -0.111 0.000 0.838 280 Q CB -0.158 28.540 28.738 -0.065 0.000 0.899 280 Q HN 0.458 nan 8.270 nan 0.000 0.423 281 M N -0.238 119.246 119.600 -0.193 0.000 2.073 281 M HA -0.229 4.251 4.480 0.000 0.000 0.258 281 M C 2.359 178.494 176.300 -0.276 0.000 1.070 281 M CA 2.127 57.291 55.300 -0.227 0.000 1.103 281 M CB -0.252 32.178 32.600 -0.283 0.000 1.321 281 M HN 0.243 nan 8.290 nan 0.000 0.405 282 S N 0.280 115.718 115.700 -0.437 0.000 2.356 282 S HA -0.122 4.349 4.470 0.000 0.000 0.223 282 S C 1.773 176.250 174.600 -0.206 0.000 1.032 282 S CA 1.440 59.410 58.200 -0.384 0.000 1.005 282 S CB -0.471 62.398 63.200 -0.551 0.000 0.867 282 S HN 0.553 nan 8.310 nan 0.000 0.449 283 L N 1.014 122.130 121.223 -0.178 0.000 2.042 283 L HA -0.102 4.238 4.340 0.000 0.000 0.210 283 L C 2.353 179.169 176.870 -0.089 0.000 1.076 283 L CA 1.150 55.921 54.840 -0.114 0.000 0.749 283 L CB -0.579 41.417 42.059 -0.106 0.000 0.893 283 L HN 0.347 nan 8.230 nan 0.000 0.432 284 L N -0.516 120.650 121.223 -0.094 0.000 2.275 284 L HA -0.175 4.165 4.340 0.000 0.000 0.215 284 L C 2.152 178.989 176.870 -0.055 0.000 1.119 284 L CA 0.739 55.539 54.840 -0.066 0.000 0.790 284 L CB -0.282 41.739 42.059 -0.064 0.000 0.919 284 L HN 0.304 nan 8.230 nan 0.000 0.443 285 L N -0.280 120.900 121.223 -0.072 0.000 2.610 285 L HA 0.017 4.357 4.340 0.000 0.000 0.232 285 L C 0.770 177.616 176.870 -0.039 0.000 1.149 285 L CA -0.025 54.785 54.840 -0.051 0.000 0.872 285 L CB -0.136 41.883 42.059 -0.068 0.000 0.992 285 L HN 0.291 nan 8.230 nan 0.000 0.447 286 R N -0.825 119.649 120.500 -0.043 0.000 3.963 286 R HA -0.147 4.194 4.340 0.000 0.000 0.394 286 R C 0.037 176.317 176.300 -0.032 0.000 1.131 286 R CA 0.629 56.709 56.100 -0.032 0.000 1.059 286 R CB -1.973 28.316 30.300 -0.019 0.000 1.614 286 R HN 0.400 nan 8.270 nan 0.000 0.546 287 R N 1.736 122.209 120.500 -0.044 0.000 2.401 287 R HA 0.191 4.531 4.340 0.000 0.000 0.299 287 R C -2.009 174.272 176.300 -0.032 0.000 1.064 287 R CA -1.553 54.526 56.100 -0.035 0.000 1.000 287 R CB 0.267 30.538 30.300 -0.048 0.000 0.973 287 R HN -0.148 nan 8.270 nan 0.000 0.438 288 P HA -0.070 nan 4.420 nan 0.000 0.261 288 P C -2.239 175.057 177.300 -0.007 0.000 1.165 288 P CA -0.426 62.667 63.100 -0.011 0.000 0.759 288 P CB 0.085 31.784 31.700 -0.001 0.000 0.772 289 P HA 0.163 nan 4.420 nan 0.000 0.281 289 P C 0.227 177.531 177.300 0.007 0.000 1.252 289 P CA 0.056 63.149 63.100 -0.012 0.000 0.778 289 P CB 1.283 32.964 31.700 -0.032 0.000 0.895 290 G N 3.179 112.004 108.800 0.042 0.000 2.773 290 G HA2 0.249 4.209 3.960 0.000 0.000 0.186 290 G HA3 0.249 4.209 3.960 0.000 0.000 0.186 290 G C -0.362 174.538 174.900 -0.000 0.000 1.411 290 G CA -0.824 44.298 45.100 0.038 0.000 1.054 290 G HN 0.547 nan 8.290 nan 0.000 0.579 291 R N 0.444 120.891 120.500 -0.088 0.000 2.484 291 R HA 0.113 4.453 4.340 0.000 0.000 0.293 291 R C 0.050 176.346 176.300 -0.007 0.000 1.023 291 R CA 0.724 56.712 56.100 -0.187 0.000 1.037 291 R CB -0.234 29.721 30.300 -0.574 0.000 0.951 291 R HN 0.713 nan 8.270 nan 0.000 0.418 292 E N 2.708 122.927 120.200 0.031 0.000 2.722 292 E HA -0.352 3.998 4.350 0.000 0.000 0.265 292 E C 0.421 177.013 176.600 -0.014 0.000 1.081 292 E CA 0.446 56.908 56.400 0.103 0.000 0.781 292 E CB -1.191 28.713 29.700 0.340 0.000 1.372 292 E HN 0.910 nan 8.360 nan 0.000 0.423 293 A N -2.282 120.522 122.820 -0.026 0.000 3.930 293 A HA -0.328 3.992 4.320 0.000 0.000 0.267 293 A C 0.264 177.814 177.584 -0.057 0.000 0.971 293 A CA 1.862 53.847 52.037 -0.085 0.000 1.197 293 A CB -1.798 17.101 19.000 -0.169 0.000 1.073 293 A HN 0.422 nan 8.150 nan 0.000 0.871 294 Y N 0.503 120.890 120.300 0.144 0.000 2.497 294 Y HA 0.391 4.942 4.550 0.000 0.000 0.334 294 Y C -1.612 174.420 175.900 0.220 0.000 1.199 294 Y CA -0.900 57.329 58.100 0.215 0.000 1.425 294 Y CB -0.015 38.674 38.460 0.381 0.000 1.291 294 Y HN 0.194 nan 8.280 nan 0.000 0.562 295 P HA 0.017 nan 4.420 nan 0.000 0.269 295 P C 0.724 178.219 177.300 0.324 0.000 1.215 295 P CA 0.364 63.610 63.100 0.244 0.000 0.780 295 P CB 0.755 32.572 31.700 0.196 0.000 0.898 296 G N 1.628 110.572 108.800 0.240 0.000 2.470 296 G HA2 -0.199 3.761 3.960 0.000 0.000 0.220 296 G HA3 -0.199 3.761 3.960 0.000 0.000 0.220 296 G C 0.659 175.713 174.900 0.257 0.000 1.121 296 G CA 0.547 45.794 45.100 0.244 0.000 0.766 296 G HN 0.627 nan 8.290 nan 0.000 0.553 297 D N 0.442 120.998 120.400 0.259 0.000 2.395 297 D HA 0.093 4.733 4.640 0.000 0.000 0.226 297 D C 1.805 178.234 176.300 0.215 0.000 1.146 297 D CA -0.324 53.834 54.000 0.262 0.000 0.830 297 D CB 0.079 41.039 40.800 0.267 0.000 0.958 297 D HN 0.150 nan 8.370 nan 0.000 0.501 298 V N 0.249 120.264 119.914 0.169 0.000 2.490 298 V HA -0.203 3.917 4.120 0.000 0.000 0.250 298 V C 2.041 178.023 176.094 -0.186 0.000 1.061 298 V CA 1.415 63.681 62.300 -0.058 0.000 1.064 298 V CB -0.891 30.831 31.823 -0.168 0.000 0.670 298 V HN 0.241 nan 8.190 nan 0.000 0.461 299 F N 0.107 119.963 119.950 -0.156 0.000 2.075 299 F HA -0.244 4.283 4.527 0.000 0.000 0.297 299 F C 2.289 178.091 175.800 0.002 0.000 1.113 299 F CA 2.007 59.952 58.000 -0.091 0.000 1.218 299 F CB -0.555 38.440 39.000 -0.008 0.000 0.984 299 F HN 0.228 nan 8.300 nan 0.000 0.472 300 Y N 0.700 120.988 120.300 -0.020 0.000 2.274 300 Y HA -0.187 4.363 4.550 0.000 0.000 0.290 300 Y C 2.169 177.954 175.900 -0.191 0.000 1.145 300 Y CA 1.539 59.579 58.100 -0.101 0.000 1.203 300 Y CB -0.850 37.638 38.460 0.046 0.000 0.984 300 Y HN 0.252 nan 8.280 nan 0.000 0.533 301 L N -0.489 120.585 121.223 -0.248 0.000 2.081 301 L HA -0.256 4.084 4.340 0.000 0.000 0.212 301 L C 1.856 178.529 176.870 -0.327 0.000 1.080 301 L CA 2.319 56.929 54.840 -0.383 0.000 0.754 301 L CB -0.679 41.023 42.059 -0.595 0.000 0.893 301 L HN 0.364 nan 8.230 nan 0.000 0.433 302 H N -2.207 116.662 119.070 -0.335 0.000 2.557 302 H HA 0.071 4.627 4.556 0.000 0.000 0.281 302 H C 2.317 177.385 175.328 -0.432 0.000 0.990 302 H CA 0.568 56.385 56.048 -0.385 0.000 1.278 302 H CB 0.193 29.744 29.762 -0.352 0.000 1.451 302 H HN 0.492 nan 8.280 nan 0.000 0.516 303 S N 1.406 116.837 115.700 -0.449 0.000 2.343 303 S HA -0.244 4.226 4.470 0.000 0.000 0.219 303 S C 2.076 176.505 174.600 -0.286 0.000 1.033 303 S CA 1.171 59.101 58.200 -0.450 0.000 1.014 303 S CB -0.318 62.495 63.200 -0.646 0.000 0.915 303 S HN 0.324 nan 8.310 nan 0.000 0.435 304 R N 0.538 120.810 120.500 -0.381 0.000 2.117 304 R HA -0.125 4.215 4.340 0.000 0.000 0.243 304 R C 2.348 178.539 176.300 -0.181 0.000 1.143 304 R CA 1.580 57.466 56.100 -0.356 0.000 0.968 304 R CB -0.498 29.362 30.300 -0.734 0.000 0.863 304 R HN 0.518 nan 8.270 nan 0.000 0.444 305 L N 0.717 121.835 121.223 -0.175 0.000 1.993 305 L HA -0.088 4.252 4.340 0.000 0.000 0.206 305 L C 2.089 178.848 176.870 -0.185 0.000 1.074 305 L CA 1.618 56.340 54.840 -0.198 0.000 0.746 305 L CB -0.512 41.271 42.059 -0.459 0.000 0.896 305 L HN 0.194 nan 8.230 nan 0.000 0.435 306 L N -0.409 120.689 121.223 -0.208 0.000 2.079 306 L HA -0.189 4.151 4.340 0.000 0.000 0.210 306 L C 2.592 179.430 176.870 -0.054 0.000 1.081 306 L CA 1.145 55.917 54.840 -0.113 0.000 0.752 306 L CB -0.846 41.138 42.059 -0.126 0.000 0.896 306 L HN 0.375 nan 8.230 nan 0.000 0.433 307 E N 0.405 120.563 120.200 -0.070 0.000 2.267 307 E HA -0.196 4.154 4.350 0.000 0.000 0.197 307 E C 2.252 178.841 176.600 -0.017 0.000 0.998 307 E CA 0.893 57.271 56.400 -0.036 0.000 0.830 307 E CB -0.079 29.601 29.700 -0.034 0.000 0.751 307 E HN 0.516 nan 8.360 nan 0.000 0.491 308 R N 0.623 121.115 120.500 -0.014 0.000 2.120 308 R HA -0.004 4.336 4.340 0.000 0.000 0.234 308 R C 1.101 177.418 176.300 0.027 0.000 1.123 308 R CA 0.702 56.809 56.100 0.010 0.000 0.975 308 R CB -0.180 30.136 30.300 0.026 0.000 0.866 308 R HN -0.058 nan 8.270 nan 0.000 0.446 309 A N 1.186 124.028 122.820 0.036 0.000 2.454 309 A HA 0.558 4.878 4.320 0.000 0.000 0.260 309 A C -0.102 177.495 177.584 0.021 0.000 1.106 309 A CA 0.216 52.280 52.037 0.046 0.000 0.780 309 A CB 0.328 19.364 19.000 0.061 0.000 1.044 309 A HN 0.357 nan 8.150 nan 0.000 0.498 310 A N 2.297 125.129 122.820 0.020 0.000 2.536 310 A HA 0.740 5.061 4.320 0.000 0.000 0.293 310 A C -0.969 176.620 177.584 0.008 0.000 1.119 310 A CA -0.715 51.323 52.037 0.002 0.000 0.654 310 A CB 0.875 19.865 19.000 -0.017 0.000 1.291 310 A HN 0.855 nan 8.150 nan 0.000 0.439 311 K N 1.276 121.673 120.400 -0.006 0.000 2.367 311 K HA 0.594 4.914 4.320 0.000 0.000 0.263 311 K C -0.723 175.877 176.600 0.001 0.000 1.000 311 K CA -0.369 55.919 56.287 0.002 0.000 0.891 311 K CB 0.446 32.935 32.500 -0.018 0.000 1.117 311 K HN 0.604 nan 8.250 nan 0.000 0.443 312 M N 2.993 122.612 119.600 0.031 0.000 2.250 312 M HA 0.194 4.674 4.480 0.000 0.000 0.344 312 M C 0.280 176.626 176.300 0.076 0.000 1.150 312 M CA -0.589 54.730 55.300 0.032 0.000 1.147 312 M CB 0.228 32.884 32.600 0.093 0.000 1.498 312 M HN 0.712 nan 8.290 nan 0.000 0.461 313 N N 0.961 119.718 118.700 0.095 0.000 2.381 313 N HA 0.081 4.821 4.740 0.000 0.000 0.254 313 N C 0.171 175.781 175.510 0.166 0.000 1.264 313 N CA -0.317 52.808 53.050 0.125 0.000 0.942 313 N CB 0.583 39.153 38.487 0.137 0.000 1.190 313 N HN 0.428 nan 8.380 nan 0.000 0.495 314 D N -0.056 120.413 120.400 0.115 0.000 2.133 314 D HA -0.233 4.407 4.640 0.000 0.000 0.195 314 D C 1.761 178.109 176.300 0.080 0.000 0.997 314 D CA 1.997 56.049 54.000 0.087 0.000 0.840 314 D CB -0.659 40.175 40.800 0.056 0.000 0.947 314 D HN 0.729 nan 8.370 nan 0.000 0.452 315 A N 0.385 123.261 122.820 0.093 0.000 1.940 315 A HA -0.169 4.151 4.320 0.000 0.000 0.219 315 A C 1.424 178.946 177.584 -0.103 0.000 1.176 315 A CA 0.966 52.997 52.037 -0.010 0.000 0.631 315 A CB -0.735 18.261 19.000 -0.007 0.000 0.814 315 A HN 0.171 nan 8.150 nan 0.000 0.446 316 F N -0.267 119.687 119.950 0.006 0.000 2.898 316 F HA 0.418 4.946 4.527 0.000 0.000 0.290 316 F C 1.698 177.500 175.800 0.003 0.000 1.195 316 F CA 0.418 58.421 58.000 0.004 0.000 1.387 316 F CB -0.041 38.964 39.000 0.009 0.000 0.976 316 F HN 0.359 nan 8.300 nan 0.000 0.510 317 G N -0.161 108.697 108.800 0.096 0.000 2.267 317 G HA2 -0.275 3.685 3.960 0.000 0.000 0.257 317 G HA3 -0.275 3.685 3.960 0.000 0.000 0.257 317 G C 1.397 176.344 174.900 0.079 0.000 0.998 317 G CA 0.116 45.252 45.100 0.060 0.000 0.620 317 G HN 1.227 nan 8.290 nan 0.000 0.529 318 G N -0.416 108.458 108.800 0.124 0.000 2.168 318 G HA2 0.163 4.123 3.960 0.000 0.000 0.257 318 G HA3 0.163 4.123 3.960 0.000 0.000 0.257 318 G C 1.444 176.454 174.900 0.184 0.000 0.997 318 G CA 1.127 46.307 45.100 0.133 0.000 0.708 318 G HN 2.129 nan 8.290 nan 0.000 0.520 319 G N -0.676 108.216 108.800 0.153 0.000 2.621 319 G HA2 0.763 4.723 3.960 0.000 0.000 0.271 319 G HA3 0.763 4.723 3.960 0.000 0.000 0.271 319 G C 0.275 175.327 174.900 0.253 0.000 1.236 319 G CA 0.818 46.040 45.100 0.204 0.000 0.958 319 G HN 1.788 nan 8.290 nan 0.000 0.512 320 S N -1.776 114.111 115.700 0.312 0.000 2.565 320 S HA 0.582 5.052 4.470 0.000 0.000 0.269 320 S C -1.565 173.128 174.600 0.155 0.000 1.153 320 S CA -0.802 57.497 58.200 0.165 0.000 0.835 320 S CB 1.919 65.150 63.200 0.051 0.000 1.122 320 S HN 1.096 nan 8.310 nan 0.000 0.462 321 L N 1.552 122.833 121.223 0.096 0.000 2.457 321 L HA 0.635 4.975 4.340 0.000 0.000 0.266 321 L C -0.862 176.037 176.870 0.049 0.000 0.979 321 L CA 0.174 55.072 54.840 0.096 0.000 0.857 321 L CB 1.585 43.707 42.059 0.104 0.000 1.213 321 L HN 0.911 nan 8.230 nan 0.000 0.418 322 T N 4.309 118.879 114.554 0.027 0.000 2.744 322 T HA 0.791 5.141 4.350 0.000 0.000 0.291 322 T C -0.012 174.681 174.700 -0.011 0.000 0.957 322 T CA -0.136 61.964 62.100 -0.001 0.000 1.002 322 T CB 1.152 70.005 68.868 -0.025 0.000 0.919 322 T HN 0.759 nan 8.240 nan 0.000 0.468 323 A N 3.873 126.695 122.820 0.002 0.000 2.330 323 A HA 0.785 5.105 4.320 0.000 0.000 0.327 323 A C -0.536 177.046 177.584 -0.004 0.000 1.155 323 A CA -0.768 51.263 52.037 -0.011 0.000 0.803 323 A CB 0.645 19.740 19.000 0.159 0.000 1.208 323 A HN 0.864 nan 8.150 nan 0.000 0.477 324 L N 4.547 125.734 121.223 -0.060 0.000 2.417 324 L HA 0.355 4.695 4.340 0.000 0.000 0.259 324 L C -2.441 174.433 176.870 0.007 0.000 1.023 324 L CA -1.685 53.144 54.840 -0.019 0.000 0.901 324 L CB 1.999 44.042 42.059 -0.027 0.000 1.227 324 L HN 0.524 nan 8.230 nan 0.000 0.454 325 P HA 0.218 nan 4.420 nan 0.000 0.284 325 P C -0.611 176.692 177.300 0.004 0.000 1.253 325 P CA -0.276 62.886 63.100 0.103 0.000 0.800 325 P CB 2.339 34.053 31.700 0.024 0.000 0.961 326 V N 4.481 124.385 119.914 -0.016 0.000 2.547 326 V HA 0.453 4.573 4.120 0.000 0.000 0.299 326 V C 0.418 176.477 176.094 -0.058 0.000 1.040 326 V CA -0.572 61.709 62.300 -0.031 0.000 0.913 326 V CB 1.564 33.374 31.823 -0.022 0.000 0.992 326 V HN 0.438 nan 8.190 nan 0.000 0.449 327 I N 3.067 123.609 120.570 -0.047 0.000 2.619 327 I HA 0.422 4.592 4.170 0.000 0.000 0.292 327 I C -0.276 175.827 176.117 -0.023 0.000 1.100 327 I CA -0.455 60.821 61.300 -0.041 0.000 1.043 327 I CB 2.177 40.157 38.000 -0.033 0.000 1.239 327 I HN 0.785 nan 8.210 nan 0.000 0.420 328 E N 4.711 124.907 120.200 -0.007 0.000 2.134 328 E HA 0.449 4.799 4.350 0.000 0.000 0.278 328 E C -0.734 175.886 176.600 0.032 0.000 0.959 328 E CA -0.379 56.020 56.400 -0.002 0.000 0.783 328 E CB 1.186 30.889 29.700 0.004 0.000 1.095 328 E HN 0.668 nan 8.360 nan 0.000 0.399 329 T N 2.195 116.775 114.554 0.044 0.000 2.909 329 T HA 0.295 4.645 4.350 0.000 0.000 0.286 329 T C 0.000 174.749 174.700 0.082 0.000 1.002 329 T CA -1.045 61.114 62.100 0.098 0.000 1.074 329 T CB 1.534 70.518 68.868 0.194 0.000 0.984 329 T HN 0.339 nan 8.240 nan 0.000 0.495 330 Q N 1.141 120.996 119.800 0.091 0.000 2.303 330 Q HA 0.507 4.847 4.340 0.000 0.000 0.257 330 Q C 0.710 176.760 176.000 0.084 0.000 0.941 330 Q CA 0.034 55.884 55.803 0.078 0.000 0.931 330 Q CB 1.126 29.912 28.738 0.080 0.000 1.215 330 Q HN 1.187 nan 8.270 nan 0.000 0.437 331 A N 2.637 125.502 122.820 0.075 0.000 2.799 331 A HA -0.200 4.120 4.320 0.000 0.000 0.287 331 A C 1.180 178.824 177.584 0.101 0.000 1.484 331 A CA 1.406 53.489 52.037 0.077 0.000 0.813 331 A CB -2.154 16.884 19.000 0.064 0.000 1.009 331 A HN 1.489 nan 8.150 nan 0.000 0.545 332 G N -1.298 107.586 108.800 0.141 0.000 2.180 332 G HA2 -0.276 3.684 3.960 0.000 0.000 0.263 332 G HA3 -0.276 3.684 3.960 0.000 0.000 0.263 332 G C -0.018 174.973 174.900 0.152 0.000 0.989 332 G CA 1.319 46.550 45.100 0.218 0.000 0.692 332 G HN 1.782 nan 8.290 nan 0.000 0.526 333 D N 0.101 120.570 120.400 0.114 0.000 2.344 333 D HA 0.408 5.048 4.640 0.000 0.000 0.253 333 D C 1.654 178.007 176.300 0.088 0.000 1.255 333 D CA 0.361 54.409 54.000 0.080 0.000 0.894 333 D CB 0.809 41.653 40.800 0.074 0.000 1.067 333 D HN 0.528 nan 8.370 nan 0.000 0.492 334 V N 0.973 120.919 119.914 0.053 0.000 3.649 334 V HA 0.093 4.213 4.120 0.000 0.000 0.275 334 V C 1.289 177.413 176.094 0.049 0.000 1.281 334 V CA 0.223 62.553 62.300 0.051 0.000 1.143 334 V CB 0.079 31.887 31.823 -0.025 0.000 0.892 334 V HN 0.359 nan 8.190 nan 0.000 0.441 335 S N 1.403 117.132 115.700 0.049 0.000 2.660 335 S HA 0.501 4.971 4.470 0.000 0.000 0.223 335 S C 1.195 175.846 174.600 0.085 0.000 0.963 335 S CA 0.481 58.713 58.200 0.054 0.000 0.932 335 S CB -0.308 62.916 63.200 0.040 0.000 0.775 335 S HN 0.896 nan 8.310 nan 0.000 0.531 336 A N 0.698 123.580 122.820 0.103 0.000 2.327 336 A HA 0.404 4.724 4.320 0.000 0.000 0.255 336 A C 0.919 178.618 177.584 0.192 0.000 1.099 336 A CA -0.265 51.856 52.037 0.141 0.000 0.801 336 A CB -0.075 19.006 19.000 0.135 0.000 1.062 336 A HN 0.280 nan 8.150 nan 0.000 0.496 337 Y N 0.547 120.877 120.300 0.050 0.000 2.109 337 Y HA -0.144 4.406 4.550 0.000 0.000 0.285 337 Y C 1.889 177.783 175.900 -0.010 0.000 1.131 337 Y CA 2.069 60.185 58.100 0.027 0.000 1.121 337 Y CB -0.598 37.891 38.460 0.047 0.000 0.987 337 Y HN 0.498 nan 8.280 nan 0.000 0.495 338 I N 0.503 120.996 120.570 -0.127 0.000 2.142 338 I HA -0.190 3.980 4.170 0.000 0.000 0.240 338 I C -0.653 175.438 176.117 -0.044 0.000 1.078 338 I CA 1.471 62.648 61.300 -0.206 0.000 1.343 338 I CB -1.995 35.859 38.000 -0.245 0.000 1.046 338 I HN 0.117 nan 8.210 nan 0.000 0.405 339 P HA -0.210 nan 4.420 nan 0.000 0.216 339 P C 1.748 179.081 177.300 0.055 0.000 1.157 339 P CA 2.664 65.791 63.100 0.045 0.000 0.880 339 P CB -0.403 31.345 31.700 0.080 0.000 0.791 340 T N -3.328 111.269 114.554 0.071 0.000 2.708 340 T HA -0.163 4.187 4.350 0.000 0.000 0.266 340 T C 1.726 176.487 174.700 0.102 0.000 1.037 340 T CA 1.330 63.480 62.100 0.084 0.000 1.146 340 T CB -1.269 67.662 68.868 0.104 0.000 0.865 340 T HN 0.003 nan 8.240 nan 0.000 0.435 341 N N 1.595 120.358 118.700 0.105 0.000 2.011 341 N HA -0.114 4.626 4.740 0.000 0.000 0.199 341 N C 2.103 177.702 175.510 0.147 0.000 1.047 341 N CA 1.726 54.895 53.050 0.199 0.000 0.863 341 N CB -0.990 37.564 38.487 0.112 0.000 1.056 341 N HN 0.333 nan 8.380 nan 0.000 0.427 342 V N 2.078 122.020 119.914 0.046 0.000 2.332 342 V HA -0.197 3.923 4.120 0.000 0.000 0.248 342 V C 2.333 178.435 176.094 0.013 0.000 1.055 342 V CA 1.303 63.590 62.300 -0.022 0.000 1.038 342 V CB -0.528 31.238 31.823 -0.095 0.000 0.651 342 V HN 0.273 nan 8.190 nan 0.000 0.450 343 I N 1.305 121.901 120.570 0.043 0.000 2.454 343 I HA -0.192 3.978 4.170 0.000 0.000 0.254 343 I C 2.294 178.450 176.117 0.063 0.000 1.156 343 I CA 1.804 63.134 61.300 0.050 0.000 1.433 343 I CB -0.375 37.657 38.000 0.053 0.000 1.082 343 I HN 0.497 nan 8.210 nan 0.000 0.432 344 S N -0.344 115.417 115.700 0.101 0.000 2.593 344 S HA 0.201 4.671 4.470 0.000 0.000 0.217 344 S C 1.479 176.163 174.600 0.140 0.000 0.966 344 S CA -0.012 58.266 58.200 0.129 0.000 0.914 344 S CB -0.211 63.092 63.200 0.171 0.000 0.776 344 S HN 0.431 nan 8.310 nan 0.000 0.523 345 I N 1.629 122.249 120.570 0.083 0.000 3.300 345 I HA 0.065 4.235 4.170 0.000 0.000 0.279 345 I C 1.212 177.333 176.117 0.007 0.000 1.172 345 I CA 0.391 61.707 61.300 0.027 0.000 1.431 345 I CB -0.447 37.503 38.000 -0.085 0.000 1.240 345 I HN 0.287 nan 8.210 nan 0.000 0.453 346 T N -0.992 113.563 114.554 0.003 0.000 2.813 346 T HA 0.065 4.415 4.350 0.000 0.000 0.297 346 T C 0.242 174.952 174.700 0.016 0.000 1.036 346 T CA -0.348 61.754 62.100 0.003 0.000 1.044 346 T CB 0.698 69.567 68.868 0.003 0.000 0.993 346 T HN 0.063 nan 8.240 nan 0.000 0.535 347 D N 1.171 121.579 120.400 0.013 0.000 3.072 347 D HA 0.422 5.062 4.640 0.000 0.000 0.250 347 D C 0.904 177.214 176.300 0.016 0.000 1.304 347 D CA 0.220 54.228 54.000 0.014 0.000 0.861 347 D CB -0.407 40.397 40.800 0.008 0.000 1.062 347 D HN 0.999 nan 8.370 nan 0.000 0.481 348 G N 1.087 109.900 108.800 0.022 0.000 2.357 348 G HA2 0.133 4.093 3.960 0.000 0.000 0.643 348 G HA3 0.133 4.093 3.960 0.000 0.000 0.643 348 G C -1.588 173.332 174.900 0.034 0.000 1.358 348 G CA -1.046 44.070 45.100 0.027 0.000 0.986 348 G HN 0.142 nan 8.290 nan 0.000 0.620 349 Q N -1.194 118.634 119.800 0.047 0.000 2.501 349 Q HA 0.818 5.158 4.340 0.000 0.000 0.288 349 Q C -0.624 175.424 176.000 0.081 0.000 1.051 349 Q CA -0.808 55.035 55.803 0.066 0.000 0.788 349 Q CB 2.155 30.948 28.738 0.092 0.000 1.469 349 Q HN 0.767 nan 8.270 nan 0.000 0.416 350 I N 1.515 122.139 120.570 0.089 0.000 2.466 350 I HA 0.376 4.546 4.170 0.000 0.000 0.279 350 I C -1.331 174.854 176.117 0.114 0.000 1.033 350 I CA -0.577 60.775 61.300 0.088 0.000 1.123 350 I CB 0.809 38.834 38.000 0.043 0.000 1.237 350 I HN 0.510 nan 8.210 nan 0.000 0.460 351 F N 7.347 127.306 119.950 0.015 0.000 2.410 351 F HA 0.574 5.101 4.527 0.000 0.000 0.349 351 F C -0.571 175.241 175.800 0.020 0.000 1.117 351 F CA -0.332 57.677 58.000 0.016 0.000 1.104 351 F CB 0.815 39.825 39.000 0.017 0.000 1.122 351 F HN 0.192 nan 8.300 nan 0.000 0.483 352 L N 5.489 126.445 121.223 -0.446 0.000 2.325 352 L HA 0.546 4.886 4.340 0.000 0.000 0.278 352 L C -0.801 175.874 176.870 -0.324 0.000 1.023 352 L CA -0.813 53.880 54.840 -0.244 0.000 0.811 352 L CB 1.865 43.804 42.059 -0.201 0.000 1.249 352 L HN 0.541 nan 8.230 nan 0.000 0.431 353 E N 0.041 120.207 120.200 -0.058 0.000 2.248 353 E HA 0.214 4.564 4.350 0.000 0.000 0.267 353 E C 0.222 176.828 176.600 0.011 0.000 0.877 353 E CA -0.396 56.016 56.400 0.020 0.000 0.759 353 E CB 2.280 32.080 29.700 0.167 0.000 1.182 353 E HN 0.728 nan 8.360 nan 0.000 0.418 354 T N -0.693 113.845 114.554 -0.027 0.000 2.788 354 T HA -0.249 4.101 4.350 0.000 0.000 0.268 354 T C 1.583 176.315 174.700 0.052 0.000 1.044 354 T CA 1.411 63.458 62.100 -0.088 0.000 1.139 354 T CB -0.032 68.798 68.868 -0.063 0.000 0.867 354 T HN 0.581 nan 8.240 nan 0.000 0.454 355 E N 1.214 121.495 120.200 0.135 0.000 2.058 355 E HA -0.151 4.199 4.350 0.000 0.000 0.194 355 E C 2.187 178.890 176.600 0.170 0.000 0.997 355 E CA 1.269 57.780 56.400 0.184 0.000 0.801 355 E CB -0.321 29.465 29.700 0.144 0.000 0.746 355 E HN 0.586 nan 8.360 nan 0.000 0.450 356 L N -0.095 121.206 121.223 0.131 0.000 2.056 356 L HA -0.128 4.212 4.340 0.000 0.000 0.207 356 L C 2.542 179.469 176.870 0.096 0.000 1.078 356 L CA 1.041 55.946 54.840 0.107 0.000 0.749 356 L CB -0.596 41.520 42.059 0.095 0.000 0.901 356 L HN 0.206 nan 8.230 nan 0.000 0.433 357 F N 0.318 120.219 119.950 -0.082 0.000 2.043 357 F HA -0.341 4.186 4.527 0.000 0.000 0.297 357 F C 2.455 178.186 175.800 -0.114 0.000 1.121 357 F CA 1.838 59.737 58.000 -0.167 0.000 1.199 357 F CB -0.391 38.401 39.000 -0.345 0.000 0.968 357 F HN -0.058 nan 8.300 nan 0.000 0.478 358 Y N 0.394 120.856 120.300 0.270 0.000 2.293 358 Y HA -0.101 4.449 4.550 0.000 0.000 0.291 358 Y C 2.126 178.051 175.900 0.042 0.000 1.137 358 Y CA 1.251 59.443 58.100 0.153 0.000 1.202 358 Y CB -0.889 37.669 38.460 0.163 0.000 0.990 358 Y HN 0.049 nan 8.280 nan 0.000 0.537 359 K N -0.428 120.083 120.400 0.184 0.000 2.589 359 K HA 0.102 4.422 4.320 0.000 0.000 0.192 359 K C 1.428 178.051 176.600 0.039 0.000 1.029 359 K CA 0.627 56.977 56.287 0.104 0.000 1.031 359 K CB -0.365 32.194 32.500 0.098 0.000 0.821 359 K HN 0.477 nan 8.250 nan 0.000 0.502 360 G N 1.220 110.008 108.800 -0.020 0.000 2.225 360 G HA2 -0.220 3.740 3.960 0.000 0.000 0.254 360 G HA3 -0.220 3.740 3.960 0.000 0.000 0.254 360 G C 0.197 175.038 174.900 -0.097 0.000 0.988 360 G CA -0.308 44.745 45.100 -0.078 0.000 0.625 360 G HN 0.211 nan 8.290 nan 0.000 0.527 361 I N 2.341 122.877 120.570 -0.056 0.000 2.349 361 I HA 0.276 4.446 4.170 0.000 0.000 0.302 361 I C 0.757 176.825 176.117 -0.081 0.000 1.180 361 I CA 0.524 61.804 61.300 -0.033 0.000 1.405 361 I CB -0.764 37.249 38.000 0.022 0.000 1.474 361 I HN 0.187 nan 8.210 nan 0.000 0.632 362 R N 6.207 126.629 120.500 -0.130 0.000 2.476 362 R HA 0.439 4.779 4.340 0.000 0.000 0.305 362 R C -2.612 173.638 176.300 -0.084 0.000 0.965 362 R CA -1.805 54.197 56.100 -0.163 0.000 0.867 362 R CB 1.945 32.020 30.300 -0.376 0.000 1.176 362 R HN 0.171 nan 8.270 nan 0.000 0.447 363 P HA -0.061 nan 4.420 nan 0.000 0.266 363 P C -0.207 177.107 177.300 0.024 0.000 1.195 363 P CA 0.184 63.288 63.100 0.006 0.000 0.768 363 P CB 0.714 32.420 31.700 0.009 0.000 0.838 364 A N 4.270 127.134 122.820 0.075 0.000 2.728 364 A HA 0.131 4.451 4.320 0.000 0.000 0.258 364 A C 0.563 178.183 177.584 0.060 0.000 1.454 364 A CA -0.148 51.938 52.037 0.081 0.000 1.146 364 A CB -1.351 17.734 19.000 0.142 0.000 0.985 364 A HN 0.487 nan 8.150 nan 0.000 0.603 365 I N 1.193 121.794 120.570 0.052 0.000 2.452 365 I HA -0.000 4.170 4.170 0.000 0.000 0.287 365 I C 0.391 176.561 176.117 0.088 0.000 1.079 365 I CA -0.281 61.056 61.300 0.062 0.000 1.387 365 I CB 0.485 38.515 38.000 0.049 0.000 1.404 365 I HN 0.299 nan 8.210 nan 0.000 0.522 366 N N 6.924 125.701 118.700 0.129 0.000 2.521 366 N HA 0.092 4.832 4.740 0.000 0.000 0.236 366 N C 0.775 176.351 175.510 0.110 0.000 1.067 366 N CA -0.130 53.003 53.050 0.138 0.000 0.939 366 N CB 1.274 39.885 38.487 0.207 0.000 1.201 366 N HN 0.407 nan 8.380 nan 0.000 0.511 367 V N 3.424 123.389 119.914 0.086 0.000 2.324 367 V HA -0.225 3.895 4.120 0.000 0.000 0.250 367 V C 2.314 178.444 176.094 0.060 0.000 1.060 367 V CA 2.367 64.709 62.300 0.070 0.000 1.042 367 V CB -0.983 30.882 31.823 0.069 0.000 0.650 367 V HN 0.733 nan 8.190 nan 0.000 0.450 368 G N -0.495 108.338 108.800 0.055 0.000 2.443 368 G HA2 -0.117 3.843 3.960 0.000 0.000 0.219 368 G HA3 -0.117 3.843 3.960 0.000 0.000 0.219 368 G C 1.194 176.107 174.900 0.021 0.000 1.131 368 G CA 0.404 45.524 45.100 0.033 0.000 0.775 368 G HN 0.533 nan 8.290 nan 0.000 0.547 369 L N 1.258 122.501 121.223 0.032 0.000 2.928 369 L HA 0.349 4.689 4.340 0.000 0.000 0.246 369 L C -0.234 176.671 176.870 0.059 0.000 1.239 369 L CA -0.193 54.648 54.840 0.002 0.000 1.035 369 L CB 0.332 42.342 42.059 -0.081 0.000 1.360 369 L HN -0.010 nan 8.230 nan 0.000 0.529 370 S N 0.411 116.150 115.700 0.065 0.000 2.547 370 S HA 0.766 5.236 4.470 0.000 0.000 0.281 370 S C -0.424 174.204 174.600 0.047 0.000 1.118 370 S CA -0.654 57.590 58.200 0.073 0.000 0.947 370 S CB 2.855 66.108 63.200 0.088 0.000 1.053 370 S HN 0.040 nan 8.310 nan 0.000 0.482 371 V N -0.684 119.254 119.914 0.041 0.000 3.188 371 V HA 0.949 5.069 4.120 0.000 0.000 0.305 371 V C -0.737 175.372 176.094 0.026 0.000 1.232 371 V CA -0.762 61.555 62.300 0.029 0.000 1.043 371 V CB 1.819 33.656 31.823 0.022 0.000 1.068 371 V HN 0.767 nan 8.190 nan 0.000 0.439 372 S N 0.914 116.625 115.700 0.019 0.000 2.707 372 S HA 0.526 4.996 4.470 0.000 0.000 0.312 372 S C 0.159 174.766 174.600 0.011 0.000 1.116 372 S CA -0.801 57.408 58.200 0.014 0.000 1.078 372 S CB 1.124 64.330 63.200 0.011 0.000 0.997 372 S HN 0.825 nan 8.310 nan 0.000 0.477 373 R N 3.718 124.224 120.500 0.011 0.000 3.907 373 R HA 0.254 4.594 4.340 0.000 0.000 0.241 373 R C 0.231 176.533 176.300 0.004 0.000 1.784 373 R CA 0.029 56.135 56.100 0.009 0.000 1.509 373 R CB -0.137 30.170 30.300 0.012 0.000 1.275 373 R HN 0.477 nan 8.270 nan 0.000 0.642 374 V N -1.739 118.176 119.914 0.002 0.000 3.155 374 V HA 0.195 4.315 4.120 0.000 0.000 0.225 374 V C 1.147 177.239 176.094 -0.003 0.000 1.462 374 V CA 0.635 62.933 62.300 -0.003 0.000 1.270 374 V CB 0.539 32.357 31.823 -0.009 0.000 1.112 374 V HN 0.674 nan 8.190 nan 0.000 0.479 375 G N 1.701 110.500 108.800 -0.001 0.000 2.552 375 G HA2 -0.351 3.609 3.960 0.000 0.000 0.265 375 G HA3 -0.351 3.609 3.960 0.000 0.000 0.265 375 G C 1.044 175.943 174.900 -0.002 0.000 1.234 375 G CA 1.049 46.150 45.100 0.000 0.000 0.944 375 G HN 1.191 nan 8.290 nan 0.000 0.568 376 S N -0.012 115.687 115.700 -0.001 0.000 2.465 376 S HA 0.174 4.644 4.470 0.000 0.000 0.241 376 S C 2.345 176.942 174.600 -0.006 0.000 1.000 376 S CA 1.695 59.894 58.200 -0.001 0.000 0.964 376 S CB -0.337 62.864 63.200 0.001 0.000 0.763 376 S HN 2.122 nan 8.310 nan 0.000 0.512 377 A N 0.506 123.321 122.820 -0.008 0.000 2.264 377 A HA 0.607 4.927 4.320 0.000 0.000 0.207 377 A C 1.646 179.218 177.584 -0.021 0.000 1.196 377 A CA 0.746 52.776 52.037 -0.013 0.000 0.778 377 A CB -0.653 18.340 19.000 -0.011 0.000 0.779 377 A HN 0.899 nan 8.150 nan 0.000 0.483 378 A N -1.162 121.645 122.820 -0.021 0.000 2.624 378 A HA 0.444 4.764 4.320 0.000 0.000 0.287 378 A C 0.233 177.801 177.584 -0.028 0.000 1.087 378 A CA -0.271 51.746 52.037 -0.033 0.000 0.964 378 A CB 0.297 19.277 19.000 -0.033 0.000 1.231 378 A HN 0.469 nan 8.150 nan 0.000 0.551 379 Q N 0.538 120.328 119.800 -0.017 0.000 2.387 379 Q HA 0.500 4.840 4.340 0.000 0.000 0.273 379 Q C -0.299 175.698 176.000 -0.006 0.000 1.089 379 Q CA -0.717 55.082 55.803 -0.008 0.000 0.824 379 Q CB 2.016 30.754 28.738 0.001 0.000 1.367 379 Q HN 0.445 nan 8.270 nan 0.000 0.443 380 T N -1.064 113.490 114.554 0.001 0.000 2.860 380 T HA 0.171 4.522 4.350 0.000 0.000 0.299 380 T C 0.883 175.589 174.700 0.010 0.000 1.045 380 T CA -0.542 61.560 62.100 0.004 0.000 1.071 380 T CB 0.800 69.675 68.868 0.011 0.000 0.985 380 T HN 0.490 nan 8.240 nan 0.000 0.537 381 R N 1.285 121.791 120.500 0.010 0.000 2.091 381 R HA 0.011 4.351 4.340 0.000 0.000 0.238 381 R C 2.790 179.104 176.300 0.023 0.000 1.136 381 R CA 1.666 57.775 56.100 0.014 0.000 0.959 381 R CB -1.463 28.845 30.300 0.013 0.000 0.856 381 R HN 0.844 nan 8.270 nan 0.000 0.437 382 A N 0.643 123.477 122.820 0.024 0.000 1.873 382 A HA -0.254 4.066 4.320 0.000 0.000 0.218 382 A C 2.143 179.753 177.584 0.044 0.000 1.193 382 A CA 2.037 54.095 52.037 0.034 0.000 0.629 382 A CB -0.547 18.468 19.000 0.025 0.000 0.826 382 A HN 0.297 nan 8.150 nan 0.000 0.447 383 M N -0.174 119.447 119.600 0.035 0.000 2.229 383 M HA -0.055 4.425 4.480 0.000 0.000 0.264 383 M C 1.883 178.202 176.300 0.031 0.000 1.063 383 M CA 1.994 57.316 55.300 0.036 0.000 1.114 383 M CB -0.507 32.109 32.600 0.027 0.000 1.387 383 M HN 0.440 nan 8.290 nan 0.000 0.420 384 K N -0.591 119.823 120.400 0.024 0.000 2.148 384 K HA -0.173 4.147 4.320 0.000 0.000 0.204 384 K C 1.865 178.478 176.600 0.023 0.000 1.050 384 K CA 1.450 57.748 56.287 0.018 0.000 0.942 384 K CB -0.043 32.465 32.500 0.013 0.000 0.724 384 K HN 0.551 nan 8.250 nan 0.000 0.446 385 Q N 0.003 119.824 119.800 0.034 0.000 2.172 385 Q HA -0.106 4.234 4.340 0.000 0.000 0.200 385 Q C 2.092 178.119 176.000 0.044 0.000 0.964 385 Q CA 1.541 57.369 55.803 0.042 0.000 0.855 385 Q CB 0.211 28.987 28.738 0.064 0.000 0.918 385 Q HN 0.304 nan 8.270 nan 0.000 0.444 386 V N -3.045 116.903 119.914 0.055 0.000 2.436 386 V HA 0.150 4.270 4.120 0.000 0.000 0.240 386 V C 2.052 178.155 176.094 0.015 0.000 1.040 386 V CA 0.906 63.234 62.300 0.047 0.000 1.052 386 V CB -1.101 30.779 31.823 0.094 0.000 0.707 386 V HN 0.192 nan 8.190 nan 0.000 0.469 387 A N 0.980 123.812 122.820 0.021 0.000 1.824 387 A HA 0.262 4.582 4.320 0.000 0.000 0.215 387 A C 2.520 180.106 177.584 0.003 0.000 1.209 387 A CA 3.093 55.136 52.037 0.011 0.000 0.614 387 A CB -1.657 17.352 19.000 0.016 0.000 0.852 387 A HN 1.539 nan 8.150 nan 0.000 0.447 388 G N -1.451 107.353 108.800 0.006 0.000 3.523 388 G HA2 -0.466 3.494 3.960 0.000 0.000 0.361 388 G HA3 -0.466 3.494 3.960 0.000 0.000 0.361 388 G C 1.146 176.045 174.900 -0.001 0.000 1.349 388 G CA 2.882 47.983 45.100 0.002 0.000 1.173 388 G HN 1.775 nan 8.290 nan 0.000 0.709 389 T N -2.146 112.404 114.554 -0.007 0.000 3.200 389 T HA 0.574 4.924 4.350 0.000 0.000 0.284 389 T C 1.716 176.411 174.700 -0.008 0.000 1.009 389 T CA 0.980 63.076 62.100 -0.007 0.000 0.907 389 T CB 0.476 69.338 68.868 -0.010 0.000 1.120 389 T HN 0.559 nan 8.240 nan 0.000 0.534 390 M N 1.036 120.629 119.600 -0.010 0.000 2.279 390 M HA 0.047 4.527 4.480 0.000 0.000 0.264 390 M C 2.160 178.461 176.300 0.002 0.000 1.062 390 M CA 1.408 56.700 55.300 -0.014 0.000 1.099 390 M CB -0.152 32.437 32.600 -0.018 0.000 1.394 390 M HN 0.209 nan 8.290 nan 0.000 0.426 391 K N 0.503 120.909 120.400 0.010 0.000 2.001 391 K HA -0.125 4.195 4.320 0.000 0.000 0.208 391 K C 1.796 178.412 176.600 0.026 0.000 1.048 391 K CA 1.466 57.767 56.287 0.022 0.000 0.932 391 K CB -0.217 32.295 32.500 0.020 0.000 0.715 391 K HN 0.402 nan 8.250 nan 0.000 0.437 392 L N 0.818 122.051 121.223 0.017 0.000 2.127 392 L HA -0.196 4.144 4.340 0.000 0.000 0.211 392 L C 2.597 179.482 176.870 0.025 0.000 1.089 392 L CA 1.365 56.215 54.840 0.016 0.000 0.757 392 L CB -0.462 41.601 42.059 0.006 0.000 0.899 392 L HN 0.417 nan 8.230 nan 0.000 0.434 393 E N 0.890 121.103 120.200 0.021 0.000 2.031 393 E HA -0.227 4.123 4.350 0.000 0.000 0.193 393 E C 2.388 179.036 176.600 0.080 0.000 0.994 393 E CA 1.163 57.579 56.400 0.027 0.000 0.800 393 E CB -0.081 29.615 29.700 -0.007 0.000 0.752 393 E HN 0.428 nan 8.360 nan 0.000 0.447 394 L N 0.611 121.886 121.223 0.086 0.000 2.079 394 L HA -0.226 4.114 4.340 0.000 0.000 0.210 394 L C 2.730 179.715 176.870 0.191 0.000 1.081 394 L CA 1.120 56.071 54.840 0.186 0.000 0.752 394 L CB -0.600 41.540 42.059 0.134 0.000 0.896 394 L HN 0.276 nan 8.230 nan 0.000 0.433 395 A N -0.601 122.278 122.820 0.097 0.000 1.851 395 A HA -0.254 4.066 4.320 0.000 0.000 0.216 395 A C 2.251 179.860 177.584 0.041 0.000 1.195 395 A CA 1.555 53.625 52.037 0.054 0.000 0.622 395 A CB -0.538 18.480 19.000 0.031 0.000 0.831 395 A HN 0.390 nan 8.150 nan 0.000 0.444 396 Q N -1.571 118.258 119.800 0.050 0.000 2.096 396 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 396 Q C 1.971 178.006 176.000 0.058 0.000 0.982 396 Q CA 1.971 57.795 55.803 0.034 0.000 0.850 396 Q CB -0.673 28.083 28.738 0.030 0.000 0.901 396 Q HN 0.893 nan 8.270 nan 0.000 0.422 397 Y N 1.707 122.002 120.300 -0.007 0.000 2.128 397 Y HA -0.235 4.315 4.550 0.000 0.000 0.284 397 Y C 2.153 178.060 175.900 0.011 0.000 1.154 397 Y CA 1.837 59.936 58.100 -0.002 0.000 1.149 397 Y CB -0.324 38.133 38.460 -0.006 0.000 0.976 397 Y HN -0.020 nan 8.280 nan 0.000 0.505 398 R N 0.128 120.391 120.500 -0.395 0.000 2.096 398 R HA -0.165 4.175 4.340 0.000 0.000 0.235 398 R C 2.352 178.514 176.300 -0.229 0.000 1.127 398 R CA 1.372 57.199 56.100 -0.455 0.000 0.968 398 R CB -0.466 29.719 30.300 -0.191 0.000 0.861 398 R HN 0.424 nan 8.270 nan 0.000 0.440 399 E N 1.112 121.244 120.200 -0.112 0.000 2.051 399 E HA -0.144 4.206 4.350 0.000 0.000 0.192 399 E C 1.991 178.583 176.600 -0.014 0.000 0.991 399 E CA 1.374 57.745 56.400 -0.047 0.000 0.799 399 E CB 0.050 29.725 29.700 -0.041 0.000 0.748 399 E HN 0.112 nan 8.360 nan 0.000 0.449 400 V N 1.603 121.499 119.914 -0.029 0.000 2.343 400 V HA -0.247 3.873 4.120 0.000 0.000 0.247 400 V C 2.668 178.777 176.094 0.026 0.000 1.051 400 V CA 1.823 64.139 62.300 0.027 0.000 1.036 400 V CB -0.997 30.844 31.823 0.030 0.000 0.654 400 V HN 0.367 nan 8.190 nan 0.000 0.451 401 A N 0.101 122.861 122.820 -0.100 0.000 1.877 401 A HA -0.110 4.210 4.320 0.000 0.000 0.216 401 A C 2.433 179.993 177.584 -0.040 0.000 1.186 401 A CA 2.093 54.060 52.037 -0.117 0.000 0.620 401 A CB -0.816 17.989 19.000 -0.326 0.000 0.822 401 A HN 0.568 nan 8.150 nan 0.000 0.443 402 A N -1.607 121.197 122.820 -0.027 0.000 1.933 402 A HA -0.042 4.278 4.320 0.000 0.000 0.218 402 A C 2.023 179.681 177.584 0.123 0.000 1.175 402 A CA 1.599 53.659 52.037 0.038 0.000 0.628 402 A CB -0.635 18.385 19.000 0.034 0.000 0.814 402 A HN 0.631 nan 8.150 nan 0.000 0.444 403 F N 0.246 120.190 119.950 -0.011 0.000 2.367 403 F HA 0.281 4.808 4.527 0.000 0.000 0.298 403 F C 1.656 177.449 175.800 -0.013 0.000 1.094 403 F CA 0.795 58.808 58.000 0.021 0.000 1.409 403 F CB 0.056 39.050 39.000 -0.010 0.000 1.064 403 F HN 0.168 nan 8.300 nan 0.000 0.528 404 A N 0.598 123.397 122.820 -0.036 0.000 3.257 404 A HA 0.272 4.592 4.320 0.000 0.000 0.308 404 A C 0.664 178.157 177.584 -0.152 0.000 1.175 404 A CA -0.390 51.480 52.037 -0.278 0.000 1.018 404 A CB -0.689 18.212 19.000 -0.164 0.000 1.088 404 A HN 0.428 nan 8.150 nan 0.000 0.567 405 Q N 0.363 120.196 119.800 0.055 0.000 2.239 405 Q HA 0.331 4.671 4.340 0.000 0.000 0.219 405 Q C -0.819 175.384 176.000 0.338 0.000 0.901 405 Q CA 0.069 55.975 55.803 0.172 0.000 0.949 405 Q CB -0.370 28.469 28.738 0.169 0.000 1.038 405 Q HN 0.841 nan 8.270 nan 0.000 0.458 406 F N -5.730 114.185 119.950 -0.059 0.000 2.978 406 F HA 0.444 4.971 4.527 0.000 0.000 0.324 406 F C -0.058 175.716 175.800 -0.044 0.000 1.157 406 F CA -1.686 56.283 58.000 -0.052 0.000 0.879 406 F CB 0.071 39.030 39.000 -0.068 0.000 1.364 406 F HN -0.225 nan 8.300 nan 0.000 0.465 407 G N 0.915 109.723 108.800 0.013 0.000 2.852 407 G HA2 0.377 4.337 3.960 0.000 0.000 0.280 407 G HA3 0.377 4.337 3.960 0.000 0.000 0.280 407 G C -0.449 174.319 174.900 -0.220 0.000 0.731 407 G CA -0.100 44.944 45.100 -0.092 0.000 2.037 407 G HN 0.639 nan 8.290 nan 0.000 0.560 408 S N 2.128 117.526 115.700 -0.504 0.000 3.513 408 S HA 0.167 4.637 4.470 0.000 0.000 0.209 408 S C 0.305 174.787 174.600 -0.197 0.000 1.446 408 S CA -0.154 57.761 58.200 -0.475 0.000 1.150 408 S CB -0.342 62.386 63.200 -0.788 0.000 1.266 408 S HN 0.890 nan 8.310 nan 0.000 0.502 409 D N 0.340 120.674 120.400 -0.110 0.000 2.894 409 D HA -0.235 4.405 4.640 0.000 0.000 0.216 409 D C -0.495 175.775 176.300 -0.050 0.000 1.245 409 D CA 0.242 54.209 54.000 -0.054 0.000 0.728 409 D CB -1.515 39.270 40.800 -0.025 0.000 0.924 409 D HN 0.442 nan 8.370 nan 0.000 0.395 410 L N 1.292 122.479 121.223 -0.060 0.000 2.462 410 L HA 0.157 4.497 4.340 0.000 0.000 0.272 410 L C 1.509 178.365 176.870 -0.023 0.000 1.166 410 L CA -0.109 54.706 54.840 -0.041 0.000 0.880 410 L CB 0.228 42.261 42.059 -0.043 0.000 1.142 410 L HN 0.399 nan 8.230 nan 0.000 0.473 411 D N 2.872 123.264 120.400 -0.014 0.000 2.478 411 D HA 0.205 4.845 4.640 0.000 0.000 0.269 411 D C 0.874 177.168 176.300 -0.011 0.000 1.232 411 D CA -0.209 53.785 54.000 -0.011 0.000 1.059 411 D CB 1.291 42.087 40.800 -0.008 0.000 1.104 411 D HN 0.469 nan 8.370 nan 0.000 0.566 412 A N 0.347 123.160 122.820 -0.012 0.000 1.883 412 A HA -0.097 4.223 4.320 0.000 0.000 0.217 412 A C 2.266 179.841 177.584 -0.015 0.000 1.186 412 A CA 2.912 54.941 52.037 -0.014 0.000 0.624 412 A CB -1.293 17.698 19.000 -0.015 0.000 0.822 412 A HN 0.713 nan 8.150 nan 0.000 0.444 413 A N -0.251 122.561 122.820 -0.013 0.000 1.851 413 A HA -0.169 4.151 4.320 0.000 0.000 0.216 413 A C 2.511 180.092 177.584 -0.005 0.000 1.195 413 A CA 3.139 55.169 52.037 -0.013 0.000 0.622 413 A CB -1.674 17.319 19.000 -0.012 0.000 0.831 413 A HN 0.827 nan 8.150 nan 0.000 0.444 414 T N -1.903 112.652 114.554 0.001 0.000 2.684 414 T HA -0.280 4.070 4.350 0.000 0.000 0.267 414 T C 2.025 176.737 174.700 0.021 0.000 1.036 414 T CA 1.713 63.821 62.100 0.014 0.000 1.148 414 T CB -0.572 68.303 68.868 0.013 0.000 0.863 414 T HN 0.587 nan 8.240 nan 0.000 0.436 415 Q N 0.221 120.024 119.800 0.006 0.000 2.061 415 Q HA -0.232 4.109 4.340 0.000 0.000 0.204 415 Q C 2.707 178.707 176.000 -0.000 0.000 0.984 415 Q CA 1.497 57.302 55.803 0.005 0.000 0.846 415 Q CB -0.243 28.491 28.738 -0.007 0.000 0.902 415 Q HN 0.456 nan 8.270 nan 0.000 0.421 416 Q N 0.397 120.188 119.800 -0.014 0.000 2.096 416 Q HA -0.191 4.149 4.340 0.000 0.000 0.204 416 Q C 2.147 178.125 176.000 -0.038 0.000 0.982 416 Q CA 1.391 57.174 55.803 -0.034 0.000 0.850 416 Q CB -0.467 28.247 28.738 -0.039 0.000 0.901 416 Q HN 0.431 nan 8.270 nan 0.000 0.422 417 L N 0.450 121.668 121.223 -0.009 0.000 2.012 417 L HA -0.171 4.169 4.340 0.000 0.000 0.210 417 L C 2.300 179.189 176.870 0.031 0.000 1.073 417 L CA 1.624 56.471 54.840 0.012 0.000 0.748 417 L CB -0.795 41.299 42.059 0.057 0.000 0.891 417 L HN 0.230 nan 8.230 nan 0.000 0.431 418 L N -1.319 119.969 121.223 0.109 0.000 2.046 418 L HA -0.209 4.131 4.340 0.000 0.000 0.208 418 L C 2.485 179.345 176.870 -0.017 0.000 1.077 418 L CA 1.401 56.366 54.840 0.209 0.000 0.747 418 L CB -0.906 41.264 42.059 0.185 0.000 0.896 418 L HN 0.247 nan 8.230 nan 0.000 0.432 419 S N -0.454 115.219 115.700 -0.045 0.000 2.353 419 S HA -0.165 4.305 4.470 0.000 0.000 0.222 419 S C 2.101 176.598 174.600 -0.173 0.000 1.035 419 S CA 1.072 59.220 58.200 -0.087 0.000 1.025 419 S CB -0.267 62.891 63.200 -0.070 0.000 0.902 419 S HN 0.309 nan 8.310 nan 0.000 0.440 420 R N 0.830 121.214 120.500 -0.193 0.000 2.083 420 R HA -0.075 4.265 4.340 0.000 0.000 0.237 420 R C 2.591 178.670 176.300 -0.367 0.000 1.137 420 R CA 1.522 57.482 56.100 -0.232 0.000 0.951 420 R CB -1.461 28.725 30.300 -0.191 0.000 0.851 420 R HN 0.525 nan 8.270 nan 0.000 0.434 421 G N 0.470 108.873 108.800 -0.661 0.000 2.514 421 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 421 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 421 G C 1.595 175.993 174.900 -0.836 0.000 1.198 421 G CA 1.259 45.562 45.100 -1.329 0.000 0.780 421 G HN 0.212 nan 8.290 nan 0.000 0.565 422 V N 1.195 120.778 119.914 -0.551 0.000 2.332 422 V HA -0.193 3.927 4.120 0.000 0.000 0.248 422 V C 3.031 179.049 176.094 -0.127 0.000 1.055 422 V CA 1.965 64.174 62.300 -0.151 0.000 1.038 422 V CB -0.511 31.295 31.823 -0.029 0.000 0.651 422 V HN 0.237 nan 8.190 nan 0.000 0.450 423 R N 0.133 120.537 120.500 -0.159 0.000 2.080 423 R HA -0.077 4.263 4.340 0.000 0.000 0.236 423 R C 2.268 178.506 176.300 -0.103 0.000 1.137 423 R CA 1.479 57.507 56.100 -0.120 0.000 0.943 423 R CB -1.117 29.098 30.300 -0.142 0.000 0.846 423 R HN 0.448 nan 8.270 nan 0.000 0.431 424 L N 0.428 121.567 121.223 -0.139 0.000 2.083 424 L HA -0.146 4.194 4.340 0.000 0.000 0.209 424 L C 2.398 179.235 176.870 -0.055 0.000 1.083 424 L CA 1.517 56.298 54.840 -0.098 0.000 0.752 424 L CB -0.829 41.157 42.059 -0.123 0.000 0.899 424 L HN 0.207 nan 8.230 nan 0.000 0.433 425 T N -0.896 113.623 114.554 -0.059 0.000 2.684 425 T HA -0.168 4.182 4.350 0.000 0.000 0.267 425 T C 1.790 176.495 174.700 0.008 0.000 1.036 425 T CA 1.224 63.325 62.100 0.002 0.000 1.148 425 T CB -0.142 68.753 68.868 0.045 0.000 0.863 425 T HN 0.297 nan 8.240 nan 0.000 0.436 426 E N 1.171 121.371 120.200 -0.001 0.000 2.077 426 E HA -0.019 4.331 4.350 0.000 0.000 0.193 426 E C 2.263 178.874 176.600 0.019 0.000 0.989 426 E CA 0.764 57.172 56.400 0.012 0.000 0.800 426 E CB -0.469 29.238 29.700 0.013 0.000 0.746 426 E HN 0.477 nan 8.360 nan 0.000 0.452 427 L N 0.402 121.634 121.223 0.016 0.000 2.362 427 L HA -0.098 4.242 4.340 0.000 0.000 0.219 427 L C 2.219 179.105 176.870 0.026 0.000 1.134 427 L CA 0.428 55.287 54.840 0.032 0.000 0.807 427 L CB -0.218 41.859 42.059 0.029 0.000 0.927 427 L HN 0.055 nan 8.230 nan 0.000 0.447 428 L N -0.860 120.374 121.223 0.017 0.000 2.558 428 L HA 0.021 4.361 4.340 0.000 0.000 0.225 428 L C 0.793 177.669 176.870 0.010 0.000 1.128 428 L CA 0.153 55.003 54.840 0.017 0.000 0.868 428 L CB -0.186 41.885 42.059 0.019 0.000 1.006 428 L HN 0.104 nan 8.230 nan 0.000 0.454 429 K N 1.409 121.813 120.400 0.006 0.000 2.350 429 K HA 0.254 4.574 4.320 0.000 0.000 0.279 429 K C -0.201 176.392 176.600 -0.012 0.000 1.027 429 K CA 0.168 56.448 56.287 -0.011 0.000 0.969 429 K CB 0.865 33.356 32.500 -0.015 0.000 0.954 429 K HN -0.020 nan 8.250 nan 0.000 0.474 430 Q N 0.879 120.661 119.800 -0.029 0.000 2.352 430 Q HA 0.307 4.647 4.340 0.000 0.000 0.270 430 Q C -0.750 175.216 176.000 -0.057 0.000 1.006 430 Q CA -0.596 55.190 55.803 -0.029 0.000 0.880 430 Q CB 1.742 30.470 28.738 -0.017 0.000 1.392 430 Q HN 0.795 nan 8.270 nan 0.000 0.401 431 G N 1.551 110.315 108.800 -0.060 0.000 2.516 431 G HA2 0.263 4.223 3.960 0.000 0.000 0.276 431 G HA3 0.263 4.223 3.960 0.000 0.000 0.276 431 G C -0.606 174.206 174.900 -0.146 0.000 1.390 431 G CA -0.210 44.834 45.100 -0.094 0.000 1.050 431 G HN 0.605 nan 8.290 nan 0.000 0.519 432 Q N -1.676 117.972 119.800 -0.255 0.000 2.205 432 Q HA 0.366 4.706 4.340 0.000 0.000 0.249 432 Q C -0.784 174.952 176.000 -0.441 0.000 0.948 432 Q CA -0.643 54.838 55.803 -0.538 0.000 0.895 432 Q CB 1.169 29.284 28.738 -1.039 0.000 1.249 432 Q HN 0.485 nan 8.270 nan 0.000 0.458 433 Y N -1.259 119.044 120.300 0.004 0.000 3.721 433 Y HA -0.254 4.296 4.550 0.000 0.000 0.218 433 Y C -0.155 175.744 175.900 -0.001 0.000 1.188 433 Y CA 0.572 58.671 58.100 -0.001 0.000 1.607 433 Y CB -2.516 35.940 38.460 -0.006 0.000 1.496 433 Y HN 0.344 nan 8.280 nan 0.000 0.626 434 S N -0.888 114.848 115.700 0.060 0.000 2.399 434 S HA 0.356 4.826 4.470 0.000 0.000 0.198 434 S C -2.497 172.115 174.600 0.019 0.000 1.294 434 S CA -0.942 57.280 58.200 0.037 0.000 1.237 434 S CB 0.954 64.162 63.200 0.014 0.000 1.286 434 S HN -0.026 nan 8.310 nan 0.000 0.404 435 P HA 0.152 nan 4.420 nan 0.000 0.266 435 P C -0.239 177.065 177.300 0.007 0.000 1.215 435 P CA 0.306 63.421 63.100 0.024 0.000 0.763 435 P CB 0.308 32.032 31.700 0.041 0.000 0.806 436 M N 2.348 121.951 119.600 0.006 0.000 2.288 436 M HA 0.444 4.924 4.480 0.000 0.000 0.334 436 M C 0.674 176.970 176.300 -0.006 0.000 1.150 436 M CA -0.580 54.716 55.300 -0.006 0.000 1.118 436 M CB 1.102 33.702 32.600 0.000 0.000 1.501 436 M HN 0.292 nan 8.290 nan 0.000 0.462 437 A N 1.567 124.370 122.820 -0.028 0.000 2.351 437 A HA 0.218 4.538 4.320 0.000 0.000 0.257 437 A C 0.890 178.474 177.584 -0.001 0.000 1.087 437 A CA -0.491 51.528 52.037 -0.031 0.000 0.798 437 A CB 0.149 19.110 19.000 -0.066 0.000 1.033 437 A HN 0.942 nan 8.150 nan 0.000 0.488 438 I N 0.910 121.495 120.570 0.025 0.000 2.151 438 I HA -0.252 3.918 4.170 0.000 0.000 0.243 438 I C 2.476 178.604 176.117 0.017 0.000 1.080 438 I CA 2.633 63.954 61.300 0.035 0.000 1.339 438 I CB -0.370 37.664 38.000 0.056 0.000 1.039 438 I HN 0.855 nan 8.210 nan 0.000 0.409 439 E N 0.623 120.822 120.200 -0.002 0.000 2.110 439 E HA -0.280 4.070 4.350 0.000 0.000 0.193 439 E C 1.849 178.434 176.600 -0.024 0.000 0.988 439 E CA 1.833 58.223 56.400 -0.017 0.000 0.804 439 E CB -0.849 28.828 29.700 -0.039 0.000 0.745 439 E HN 0.699 nan 8.360 nan 0.000 0.458 440 E N 0.833 121.012 120.200 -0.034 0.000 2.072 440 E HA -0.163 4.187 4.350 0.000 0.000 0.191 440 E C 2.377 178.984 176.600 0.013 0.000 0.985 440 E CA 1.199 57.574 56.400 -0.042 0.000 0.801 440 E CB -0.079 29.586 29.700 -0.058 0.000 0.750 440 E HN 0.417 nan 8.360 nan 0.000 0.452 441 Q N 0.349 120.163 119.800 0.023 0.000 2.050 441 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 441 Q C 2.429 178.474 176.000 0.074 0.000 0.980 441 Q CA 1.343 57.174 55.803 0.047 0.000 0.840 441 Q CB -0.083 28.678 28.738 0.039 0.000 0.898 441 Q HN 0.150 nan 8.270 nan 0.000 0.424 442 V N 1.181 121.134 119.914 0.066 0.000 2.332 442 V HA -0.321 3.799 4.120 0.000 0.000 0.248 442 V C 2.284 178.467 176.094 0.148 0.000 1.055 442 V CA 1.893 64.248 62.300 0.092 0.000 1.038 442 V CB -1.048 30.810 31.823 0.059 0.000 0.651 442 V HN 0.415 nan 8.190 nan 0.000 0.450 443 A N 0.614 123.510 122.820 0.126 0.000 1.858 443 A HA -0.170 4.150 4.320 0.000 0.000 0.216 443 A C 2.422 180.234 177.584 0.381 0.000 1.190 443 A CA 2.458 54.630 52.037 0.224 0.000 0.617 443 A CB -0.890 18.195 19.000 0.142 0.000 0.827 443 A HN 0.650 nan 8.150 nan 0.000 0.443 444 V N -1.915 118.185 119.914 0.311 0.000 2.407 444 V HA -0.163 3.957 4.120 0.000 0.000 0.248 444 V C 2.090 178.286 176.094 0.170 0.000 1.055 444 V CA 1.761 64.215 62.300 0.257 0.000 1.049 444 V CB -0.884 31.052 31.823 0.188 0.000 0.662 444 V HN 0.408 nan 8.190 nan 0.000 0.455 445 I N -0.401 120.258 120.570 0.149 0.000 2.546 445 I HA -0.090 4.080 4.170 0.000 0.000 0.255 445 I C 2.462 178.645 176.117 0.109 0.000 1.163 445 I CA 1.621 62.980 61.300 0.098 0.000 1.457 445 I CB -1.377 36.669 38.000 0.077 0.000 1.092 445 I HN 0.494 nan 8.210 nan 0.000 0.434 446 Y N 2.475 122.804 120.300 0.048 0.000 2.089 446 Y HA -0.245 4.305 4.550 0.000 0.000 0.282 446 Y C 2.690 178.615 175.900 0.042 0.000 1.139 446 Y CA 2.171 60.301 58.100 0.051 0.000 1.123 446 Y CB -0.342 38.174 38.460 0.094 0.000 0.980 446 Y HN 0.097 nan 8.280 nan 0.000 0.493 447 A N 0.316 123.284 122.820 0.246 0.000 1.927 447 A HA -0.223 4.097 4.320 0.000 0.000 0.220 447 A C 2.414 179.968 177.584 -0.050 0.000 1.185 447 A CA 2.190 54.304 52.037 0.129 0.000 0.639 447 A CB -1.800 17.208 19.000 0.013 0.000 0.820 447 A HN 0.669 nan 8.150 nan 0.000 0.451 448 G N -0.911 107.854 108.800 -0.058 0.000 2.424 448 G HA2 -0.029 3.931 3.960 0.000 0.000 0.214 448 G HA3 -0.029 3.931 3.960 0.000 0.000 0.214 448 G C 1.515 176.306 174.900 -0.182 0.000 1.202 448 G CA 1.125 46.157 45.100 -0.115 0.000 0.793 448 G HN 0.329 nan 8.290 nan 0.000 0.534 449 V N 1.385 121.196 119.914 -0.172 0.000 2.332 449 V HA -0.163 3.958 4.120 0.000 0.000 0.248 449 V C 2.937 178.848 176.094 -0.306 0.000 1.055 449 V CA 1.754 63.936 62.300 -0.198 0.000 1.038 449 V CB -0.454 31.281 31.823 -0.146 0.000 0.651 449 V HN 0.209 nan 8.190 nan 0.000 0.450 450 R N 0.302 120.522 120.500 -0.466 0.000 2.237 450 R HA 0.023 4.363 4.340 0.000 0.000 0.219 450 R C 1.795 177.664 176.300 -0.719 0.000 1.080 450 R CA 0.836 56.527 56.100 -0.681 0.000 0.995 450 R CB -1.142 28.526 30.300 -1.054 0.000 0.875 450 R HN 0.701 nan 8.270 nan 0.000 0.462 451 G N 0.438 108.928 108.800 -0.517 0.000 2.160 451 G HA2 -0.292 3.668 3.960 0.000 0.000 0.244 451 G HA3 -0.292 3.668 3.960 0.000 0.000 0.244 451 G C 0.169 174.857 174.900 -0.353 0.000 1.022 451 G CA 0.237 45.106 45.100 -0.386 0.000 0.741 451 G HN 0.338 nan 8.290 nan 0.000 0.508 452 Y N -0.470 119.725 120.300 -0.174 0.000 2.583 452 Y HA 0.332 4.882 4.550 0.000 0.000 0.293 452 Y C 2.466 178.242 175.900 -0.206 0.000 1.157 452 Y CA 0.883 58.892 58.100 -0.153 0.000 1.315 452 Y CB 0.160 38.548 38.460 -0.119 0.000 1.021 452 Y HN 0.424 nan 8.280 nan 0.000 0.536 453 L N -0.812 120.329 121.223 -0.137 0.000 2.728 453 L HA 0.119 4.459 4.340 0.000 0.000 0.238 453 L C 0.906 177.673 176.870 -0.172 0.000 1.143 453 L CA -0.003 54.692 54.840 -0.243 0.000 0.937 453 L CB 0.072 41.924 42.059 -0.346 0.000 1.225 453 L HN -0.030 nan 8.230 nan 0.000 0.507 454 D N 1.428 121.745 120.400 -0.138 0.000 2.221 454 D HA -0.135 4.505 4.640 0.000 0.000 0.204 454 D C 1.113 177.361 176.300 -0.087 0.000 0.982 454 D CA 1.311 55.242 54.000 -0.116 0.000 0.857 454 D CB 0.115 40.847 40.800 -0.114 0.000 0.934 454 D HN 0.263 nan 8.370 nan 0.000 0.475 455 K N 0.029 120.383 120.400 -0.078 0.000 2.969 455 K HA 0.232 4.552 4.320 0.000 0.000 0.222 455 K C -0.390 176.173 176.600 -0.060 0.000 1.172 455 K CA -0.340 55.914 56.287 -0.055 0.000 1.192 455 K CB 0.635 33.114 32.500 -0.035 0.000 1.111 455 K HN -0.024 nan 8.250 nan 0.000 0.457 456 L N -0.051 121.124 121.223 -0.081 0.000 2.388 456 L HA 0.317 4.657 4.340 0.000 0.000 0.264 456 L C -0.863 175.979 176.870 -0.048 0.000 0.998 456 L CA -0.643 54.152 54.840 -0.076 0.000 0.817 456 L CB 2.026 43.986 42.059 -0.164 0.000 1.338 456 L HN 0.065 nan 8.230 nan 0.000 0.414 457 E N 4.885 125.079 120.200 -0.011 0.000 2.324 457 E HA 0.181 4.531 4.350 0.000 0.000 0.271 457 E C -1.853 174.752 176.600 0.008 0.000 1.028 457 E CA -1.448 54.954 56.400 0.004 0.000 0.890 457 E CB 1.271 30.984 29.700 0.022 0.000 1.004 457 E HN 0.491 nan 8.360 nan 0.000 0.431 458 P HA -0.254 nan 4.420 nan 0.000 0.217 458 P C 1.076 178.396 177.300 0.032 0.000 1.151 458 P CA 1.773 64.876 63.100 0.005 0.000 0.849 458 P CB 0.166 31.870 31.700 0.006 0.000 0.787 459 S N -1.232 114.493 115.700 0.042 0.000 2.402 459 S HA -0.094 4.376 4.470 0.000 0.000 0.229 459 S C 1.715 176.370 174.600 0.092 0.000 1.021 459 S CA 0.917 59.152 58.200 0.057 0.000 0.974 459 S CB -0.756 62.472 63.200 0.048 0.000 0.800 459 S HN 0.091 nan 8.310 nan 0.000 0.484 460 K N 1.477 121.943 120.400 0.111 0.000 2.228 460 K HA 0.269 4.589 4.320 0.000 0.000 0.202 460 K C 1.949 178.690 176.600 0.236 0.000 1.051 460 K CA 0.486 56.897 56.287 0.207 0.000 0.960 460 K CB -0.617 32.023 32.500 0.233 0.000 0.743 460 K HN 0.468 nan 8.250 nan 0.000 0.458 461 I N 1.422 122.070 120.570 0.130 0.000 2.264 461 I HA -0.289 3.881 4.170 0.000 0.000 0.248 461 I C 1.893 178.120 176.117 0.182 0.000 1.111 461 I CA 1.361 62.739 61.300 0.128 0.000 1.382 461 I CB -0.808 37.218 38.000 0.043 0.000 1.060 461 I HN 0.134 nan 8.210 nan 0.000 0.418 462 T N 0.403 115.039 114.554 0.136 0.000 2.653 462 T HA -0.300 4.050 4.350 0.000 0.000 0.268 462 T C 1.923 176.709 174.700 0.143 0.000 1.035 462 T CA 1.893 64.062 62.100 0.115 0.000 1.154 462 T CB -0.231 68.690 68.868 0.088 0.000 0.862 462 T HN 0.371 nan 8.240 nan 0.000 0.441 463 K N -0.219 120.305 120.400 0.206 0.000 2.137 463 K HA 0.056 4.376 4.320 0.000 0.000 0.202 463 K C 2.057 178.797 176.600 0.233 0.000 1.052 463 K CA 0.363 56.799 56.287 0.248 0.000 0.961 463 K CB -0.244 32.462 32.500 0.344 0.000 0.741 463 K HN 0.282 nan 8.250 nan 0.000 0.452 464 F N 2.719 122.672 119.950 0.004 0.000 2.091 464 F HA -0.261 4.266 4.527 0.000 0.000 0.299 464 F C 2.129 177.888 175.800 -0.069 0.000 1.103 464 F CA 2.174 59.963 58.000 -0.352 0.000 1.228 464 F CB -0.287 38.457 39.000 -0.426 0.000 0.984 464 F HN 0.195 nan 8.300 nan 0.000 0.477 465 E N 0.243 120.443 120.200 -0.001 0.000 2.049 465 E HA -0.285 4.065 4.350 0.000 0.000 0.198 465 E C 2.085 178.644 176.600 -0.069 0.000 1.007 465 E CA 1.727 58.112 56.400 -0.024 0.000 0.809 465 E CB -0.365 29.385 29.700 0.083 0.000 0.749 465 E HN 0.530 nan 8.360 nan 0.000 0.450 466 N N 0.312 119.004 118.700 -0.014 0.000 2.084 466 N HA -0.183 4.557 4.740 0.000 0.000 0.190 466 N C 1.888 177.385 175.510 -0.023 0.000 1.030 466 N CA 1.268 54.315 53.050 -0.006 0.000 0.849 466 N CB -0.338 38.174 38.487 0.042 0.000 1.012 466 N HN 0.228 nan 8.380 nan 0.000 0.423 467 A N 1.480 124.316 122.820 0.027 0.000 1.865 467 A HA -0.187 4.133 4.320 0.000 0.000 0.217 467 A C 2.102 179.650 177.584 -0.061 0.000 1.191 467 A CA 1.308 53.433 52.037 0.147 0.000 0.623 467 A CB -1.143 18.106 19.000 0.415 0.000 0.826 467 A HN 0.325 nan 8.150 nan 0.000 0.444 468 F N 0.117 119.705 119.950 -0.604 0.000 2.126 468 F HA -0.162 4.365 4.527 0.000 0.000 0.299 468 F C 1.838 177.321 175.800 -0.529 0.000 1.096 468 F CA 1.724 59.113 58.000 -1.019 0.000 1.255 468 F CB -0.465 37.769 39.000 -1.277 0.000 0.997 468 F HN 0.183 nan 8.300 nan 0.000 0.479 469 L N 0.145 121.102 121.223 -0.443 0.000 1.989 469 L HA -0.218 4.122 4.340 0.000 0.000 0.211 469 L C 2.555 179.223 176.870 -0.337 0.000 1.071 469 L CA 2.334 56.936 54.840 -0.397 0.000 0.749 469 L CB -1.246 40.709 42.059 -0.173 0.000 0.890 469 L HN 0.152 nan 8.230 nan 0.000 0.431 470 S N -1.687 113.895 115.700 -0.195 0.000 2.382 470 S HA -0.261 4.209 4.470 0.000 0.000 0.228 470 S C 1.938 176.475 174.600 -0.106 0.000 1.027 470 S CA 1.284 59.419 58.200 -0.108 0.000 0.991 470 S CB -0.663 62.526 63.200 -0.018 0.000 0.823 470 S HN 0.689 nan 8.310 nan 0.000 0.469 471 H N 2.094 120.994 119.070 -0.284 0.000 2.352 471 H HA -0.077 4.479 4.556 0.000 0.000 0.299 471 H C 1.992 177.174 175.328 -0.244 0.000 1.097 471 H CA 2.062 57.956 56.048 -0.256 0.000 1.311 471 H CB -0.531 28.905 29.762 -0.544 0.000 1.377 471 H HN 0.280 nan 8.280 nan 0.000 0.504 472 V N -1.388 118.165 119.914 -0.602 0.000 2.407 472 V HA -0.053 4.067 4.120 0.000 0.000 0.245 472 V C 2.592 178.505 176.094 -0.302 0.000 1.041 472 V CA 1.554 63.529 62.300 -0.542 0.000 1.040 472 V CB -0.813 30.579 31.823 -0.718 0.000 0.671 472 V HN 0.373 nan 8.190 nan 0.000 0.455 473 I N 1.282 121.688 120.570 -0.273 0.000 2.335 473 I HA -0.225 3.946 4.170 0.000 0.000 0.251 473 I C 2.843 178.879 176.117 -0.135 0.000 1.129 473 I CA 2.019 63.212 61.300 -0.179 0.000 1.402 473 I CB -0.375 37.535 38.000 -0.151 0.000 1.069 473 I HN 0.488 nan 8.210 nan 0.000 0.424 474 S N 0.194 115.821 115.700 -0.122 0.000 2.317 474 S HA -0.150 4.320 4.470 0.000 0.000 0.212 474 S C 1.929 176.464 174.600 -0.107 0.000 1.030 474 S CA 1.180 59.331 58.200 -0.082 0.000 0.970 474 S CB -0.045 63.137 63.200 -0.031 0.000 0.928 474 S HN 0.405 nan 8.310 nan 0.000 0.451 475 Q N -0.474 119.244 119.800 -0.137 0.000 2.013 475 Q HA 0.069 4.409 4.340 0.000 0.000 0.195 475 Q C 0.812 176.608 176.000 -0.340 0.000 0.974 475 Q CA 1.054 56.715 55.803 -0.237 0.000 0.826 475 Q CB -0.213 28.357 28.738 -0.281 0.000 0.895 475 Q HN 0.660 nan 8.270 nan 0.000 0.448 476 H N 1.007 119.914 119.070 -0.271 0.000 2.930 476 H HA 0.053 4.609 4.556 0.000 0.000 0.307 476 H C 1.089 176.287 175.328 -0.216 0.000 1.247 476 H CA -0.002 55.898 56.048 -0.246 0.000 1.181 476 H CB -0.129 29.440 29.762 -0.321 0.000 1.390 476 H HN 0.288 nan 8.280 nan 0.000 0.549 477 Q N 0.777 120.506 119.800 -0.118 0.000 2.167 477 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 477 Q C 2.188 178.135 176.000 -0.088 0.000 0.970 477 Q CA 1.057 56.795 55.803 -0.109 0.000 0.855 477 Q CB 0.079 28.755 28.738 -0.103 0.000 0.911 477 Q HN 0.638 nan 8.270 nan 0.000 0.438 478 A N 1.179 123.951 122.820 -0.081 0.000 1.940 478 A HA -0.186 4.135 4.320 0.000 0.000 0.219 478 A C 2.028 179.579 177.584 -0.055 0.000 1.176 478 A CA 1.106 53.104 52.037 -0.064 0.000 0.631 478 A CB -0.750 18.212 19.000 -0.063 0.000 0.814 478 A HN 0.527 nan 8.150 nan 0.000 0.446 479 L N -0.477 120.716 121.223 -0.050 0.000 1.994 479 L HA -0.165 4.175 4.340 0.000 0.000 0.208 479 L C 2.526 179.351 176.870 -0.074 0.000 1.071 479 L CA 1.509 56.315 54.840 -0.057 0.000 0.745 479 L CB -0.317 41.705 42.059 -0.062 0.000 0.892 479 L HN 0.437 nan 8.230 nan 0.000 0.431 480 L N -0.763 120.405 121.223 -0.092 0.000 2.042 480 L HA -0.168 4.172 4.340 0.000 0.000 0.210 480 L C 2.620 179.448 176.870 -0.070 0.000 1.076 480 L CA 1.338 56.122 54.840 -0.093 0.000 0.749 480 L CB -1.296 40.693 42.059 -0.116 0.000 0.893 480 L HN 0.376 nan 8.230 nan 0.000 0.432 481 G N 0.095 108.855 108.800 -0.066 0.000 2.418 481 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 481 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 481 G C 1.687 176.561 174.900 -0.042 0.000 1.158 481 G CA 0.899 45.967 45.100 -0.054 0.000 0.771 481 G HN 0.319 nan 8.290 nan 0.000 0.545 482 K N 0.211 120.586 120.400 -0.041 0.000 2.002 482 K HA -0.007 4.313 4.320 0.000 0.000 0.209 482 K C 2.488 179.071 176.600 -0.028 0.000 1.048 482 K CA 1.154 57.421 56.287 -0.032 0.000 0.930 482 K CB -0.309 32.172 32.500 -0.032 0.000 0.714 482 K HN 0.344 nan 8.250 nan 0.000 0.438 483 I N 0.976 121.525 120.570 -0.035 0.000 2.208 483 I HA -0.290 3.880 4.170 0.000 0.000 0.245 483 I C 2.784 178.891 176.117 -0.017 0.000 1.097 483 I CA 1.176 62.459 61.300 -0.027 0.000 1.363 483 I CB -0.351 37.626 38.000 -0.038 0.000 1.051 483 I HN 0.290 nan 8.210 nan 0.000 0.413 484 R N 0.460 120.947 120.500 -0.021 0.000 2.152 484 R HA -0.136 4.204 4.340 0.000 0.000 0.232 484 R C 1.982 178.281 176.300 -0.001 0.000 1.117 484 R CA 1.822 57.915 56.100 -0.010 0.000 0.981 484 R CB -0.095 30.190 30.300 -0.024 0.000 0.870 484 R HN 0.349 nan 8.270 nan 0.000 0.451 485 T N -0.015 114.534 114.554 -0.008 0.000 2.904 485 T HA -0.013 4.337 4.350 0.000 0.000 0.243 485 T C 0.986 175.685 174.700 -0.001 0.000 1.024 485 T CA 1.106 63.204 62.100 -0.004 0.000 1.158 485 T CB -0.209 68.653 68.868 -0.010 0.000 0.867 485 T HN 0.239 nan 8.240 nan 0.000 0.429 486 D N 0.950 121.348 120.400 -0.004 0.000 2.219 486 D HA 0.140 4.781 4.640 0.000 0.000 0.205 486 D C 1.628 177.929 176.300 0.002 0.000 0.970 486 D CA 1.177 55.176 54.000 -0.002 0.000 0.851 486 D CB -0.482 40.315 40.800 -0.004 0.000 0.943 486 D HN 0.489 nan 8.370 nan 0.000 0.488 487 G N 0.451 109.253 108.800 0.003 0.000 2.203 487 G HA2 -0.354 3.606 3.960 0.000 0.000 0.263 487 G HA3 -0.354 3.606 3.960 0.000 0.000 0.263 487 G C 0.298 175.203 174.900 0.008 0.000 1.012 487 G CA 0.832 45.936 45.100 0.007 0.000 0.749 487 G HN 0.502 nan 8.290 nan 0.000 0.512 488 K N -0.817 119.587 120.400 0.006 0.000 2.568 488 K HA 0.568 4.888 4.320 0.000 0.000 0.273 488 K C -0.585 176.020 176.600 0.008 0.000 0.951 488 K CA -1.222 55.072 56.287 0.011 0.000 0.854 488 K CB 1.121 33.628 32.500 0.011 0.000 1.424 488 K HN 0.055 nan 8.250 nan 0.000 0.427 489 I N 3.981 124.561 120.570 0.017 0.000 2.308 489 I HA 0.074 4.244 4.170 0.000 0.000 0.293 489 I C 0.634 176.761 176.117 0.017 0.000 1.078 489 I CA -0.274 61.032 61.300 0.011 0.000 1.292 489 I CB 1.005 39.027 38.000 0.037 0.000 1.423 489 I HN 0.631 nan 8.210 nan 0.000 0.493 490 S N 3.958 119.660 115.700 0.005 0.000 2.617 490 S HA 0.169 4.639 4.470 0.000 0.000 0.259 490 S C 0.989 175.599 174.600 0.017 0.000 1.301 490 S CA -0.549 57.657 58.200 0.010 0.000 0.984 490 S CB 1.177 64.378 63.200 0.002 0.000 0.954 490 S HN 0.579 nan 8.310 nan 0.000 0.572 491 E N 0.710 120.923 120.200 0.021 0.000 2.058 491 E HA -0.140 4.210 4.350 0.000 0.000 0.194 491 E C 1.949 178.564 176.600 0.024 0.000 0.997 491 E CA 1.668 58.086 56.400 0.029 0.000 0.801 491 E CB -0.345 29.370 29.700 0.025 0.000 0.746 491 E HN 0.858 nan 8.360 nan 0.000 0.450 492 E N 0.374 120.582 120.200 0.013 0.000 2.051 492 E HA -0.186 4.164 4.350 0.000 0.000 0.192 492 E C 1.881 178.477 176.600 -0.006 0.000 0.991 492 E CA 1.478 57.882 56.400 0.006 0.000 0.799 492 E CB -0.001 29.701 29.700 0.002 0.000 0.748 492 E HN 0.127 nan 8.360 nan 0.000 0.449 493 S N 0.577 116.265 115.700 -0.019 0.000 2.383 493 S HA -0.199 4.271 4.470 0.000 0.000 0.229 493 S C 1.576 176.128 174.600 -0.081 0.000 1.030 493 S CA 1.515 59.683 58.200 -0.053 0.000 1.002 493 S CB -0.353 62.814 63.200 -0.055 0.000 0.829 493 S HN 0.399 nan 8.310 nan 0.000 0.467 494 D N 1.156 121.541 120.400 -0.024 0.000 2.117 494 D HA -0.003 4.637 4.640 0.000 0.000 0.198 494 D C 2.009 178.346 176.300 0.062 0.000 0.982 494 D CA 1.106 55.125 54.000 0.031 0.000 0.828 494 D CB -0.231 40.645 40.800 0.127 0.000 0.967 494 D HN 0.330 nan 8.370 nan 0.000 0.464 495 A N 0.118 122.967 122.820 0.048 0.000 1.898 495 A HA -0.145 4.176 4.320 0.000 0.000 0.216 495 A C 2.095 179.690 177.584 0.017 0.000 1.181 495 A CA 1.731 53.798 52.037 0.051 0.000 0.620 495 A CB -0.556 18.467 19.000 0.039 0.000 0.819 495 A HN 0.117 nan 8.150 nan 0.000 0.442 496 K N 0.111 120.502 120.400 -0.015 0.000 2.026 496 K HA -0.005 4.316 4.320 0.000 0.000 0.208 496 K C 1.773 178.324 176.600 -0.082 0.000 1.048 496 K CA 1.468 57.736 56.287 -0.033 0.000 0.929 496 K CB -0.635 31.846 32.500 -0.032 0.000 0.713 496 K HN 0.440 nan 8.250 nan 0.000 0.439 497 L N 0.742 121.878 121.223 -0.146 0.000 2.042 497 L HA -0.218 4.122 4.340 0.000 0.000 0.210 497 L C 2.610 179.444 176.870 -0.059 0.000 1.076 497 L CA 1.719 56.427 54.840 -0.220 0.000 0.749 497 L CB -0.489 41.164 42.059 -0.676 0.000 0.893 497 L HN 0.304 nan 8.230 nan 0.000 0.432 498 K N 0.541 120.960 120.400 0.032 0.000 2.009 498 K HA -0.238 4.082 4.320 0.000 0.000 0.210 498 K C 1.893 178.400 176.600 -0.156 0.000 1.049 498 K CA 1.889 58.162 56.287 -0.023 0.000 0.929 498 K CB -0.072 32.486 32.500 0.097 0.000 0.714 498 K HN 0.341 nan 8.250 nan 0.000 0.440 499 E N 0.395 120.560 120.200 -0.058 0.000 2.153 499 E HA -0.173 4.177 4.350 0.000 0.000 0.194 499 E C 2.113 178.712 176.600 -0.002 0.000 0.988 499 E CA 1.297 57.679 56.400 -0.029 0.000 0.811 499 E CB -0.096 29.610 29.700 0.010 0.000 0.746 499 E HN 0.402 nan 8.360 nan 0.000 0.466 500 I N 0.891 121.453 120.570 -0.014 0.000 2.133 500 I HA -0.238 3.932 4.170 0.000 0.000 0.238 500 I C 2.691 178.914 176.117 0.177 0.000 1.074 500 I CA 1.034 62.361 61.300 0.046 0.000 1.342 500 I CB -0.544 37.381 38.000 -0.125 0.000 1.053 500 I HN 0.070 nan 8.210 nan 0.000 0.404 501 V N -0.597 119.368 119.914 0.086 0.000 2.295 501 V HA -0.252 3.868 4.120 0.000 0.000 0.246 501 V C 2.576 178.682 176.094 0.019 0.000 1.049 501 V CA 2.291 64.615 62.300 0.039 0.000 1.024 501 V CB -1.967 29.803 31.823 -0.088 0.000 0.648 501 V HN 0.608 nan 8.190 nan 0.000 0.447 502 T N -0.465 113.989 114.554 -0.166 0.000 2.622 502 T HA -0.246 4.104 4.350 0.000 0.000 0.266 502 T C 1.887 176.603 174.700 0.026 0.000 1.047 502 T CA 1.987 64.010 62.100 -0.127 0.000 1.159 502 T CB -0.959 67.798 68.868 -0.184 0.000 0.863 502 T HN 0.519 nan 8.240 nan 0.000 0.422 503 N N 0.858 119.596 118.700 0.064 0.000 2.084 503 N HA -0.023 4.717 4.740 0.000 0.000 0.190 503 N C 1.601 177.203 175.510 0.154 0.000 1.030 503 N CA 1.242 54.351 53.050 0.098 0.000 0.849 503 N CB -0.701 37.851 38.487 0.108 0.000 1.012 503 N HN 0.443 nan 8.380 nan 0.000 0.423 504 F N 2.420 122.424 119.950 0.091 0.000 2.069 504 F HA -0.137 4.390 4.527 0.000 0.000 0.298 504 F C 2.320 178.241 175.800 0.202 0.000 1.113 504 F CA 1.078 59.147 58.000 0.115 0.000 1.214 504 F CB -0.428 38.671 39.000 0.165 0.000 0.978 504 F HN -0.027 nan 8.300 nan 0.000 0.474 505 L N 0.394 121.854 121.223 0.395 0.000 2.042 505 L HA -0.198 4.142 4.340 0.000 0.000 0.210 505 L C 2.396 179.346 176.870 0.134 0.000 1.076 505 L CA 2.146 57.141 54.840 0.258 0.000 0.749 505 L CB -1.558 40.539 42.059 0.063 0.000 0.893 505 L HN 0.336 nan 8.230 nan 0.000 0.432 506 A N 0.002 122.871 122.820 0.081 0.000 1.883 506 A HA -0.159 4.161 4.320 0.000 0.000 0.217 506 A C 2.351 179.948 177.584 0.023 0.000 1.186 506 A CA 1.748 53.810 52.037 0.042 0.000 0.624 506 A CB -1.383 17.635 19.000 0.030 0.000 0.822 506 A HN 0.522 nan 8.150 nan 0.000 0.444 507 G N -2.124 106.670 108.800 -0.009 0.000 2.443 507 G HA2 -0.153 3.808 3.960 0.000 0.000 0.219 507 G HA3 -0.153 3.808 3.960 0.000 0.000 0.219 507 G C 1.373 176.226 174.900 -0.078 0.000 1.131 507 G CA 0.965 46.025 45.100 -0.067 0.000 0.775 507 G HN 0.421 nan 8.290 nan 0.000 0.547 508 F N 1.132 120.952 119.950 -0.216 0.000 2.186 508 F HA 0.120 4.648 4.527 0.000 0.000 0.299 508 F C 1.946 177.702 175.800 -0.073 0.000 1.090 508 F CA 0.889 58.792 58.000 -0.161 0.000 1.307 508 F CB 0.236 39.206 39.000 -0.049 0.000 1.019 508 F HN 0.147 nan 8.300 nan 0.000 0.489 509 E N 0.989 121.241 120.200 0.086 0.000 2.368 509 E HA 0.278 4.628 4.350 0.000 0.000 0.283 509 E C 0.308 176.889 176.600 -0.031 0.000 1.476 509 E CA -0.389 56.022 56.400 0.019 0.000 1.786 509 E CB -0.107 29.618 29.700 0.043 0.000 1.518 509 E HN 0.289 nan 8.360 nan 0.000 0.456 510 A N 0.000 122.774 122.820 -0.077 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.994 52.037 -0.071 0.000 0.836 510 A CB 0.000 18.942 19.000 -0.096 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486