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 1xnw_1_F DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYIVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.338 176.300 0.064 0.000 2.045 10 D CA 0.000 54.047 54.000 0.078 0.000 0.868 10 D CB 0.000 40.856 40.800 0.094 0.000 0.688 11 I N 0.221 120.847 120.570 0.093 0.000 4.481 11 I HA 0.254 4.424 4.170 -0.000 0.000 0.353 11 I C 0.157 176.143 176.117 -0.218 0.000 1.296 11 I CA 0.256 61.517 61.300 -0.065 0.000 1.228 11 I CB 0.108 38.033 38.000 -0.125 0.000 1.725 11 I HN 0.323 nan 8.210 nan 0.000 0.608 12 H N -0.861 118.205 119.070 -0.007 0.000 2.729 12 H HA 0.348 4.904 4.556 -0.000 0.000 0.263 12 H C 0.935 176.260 175.328 -0.005 0.000 0.961 12 H CA 0.986 57.031 56.048 -0.006 0.000 1.217 12 H CB 0.152 29.912 29.762 -0.005 0.000 1.447 12 H HN 0.292 nan 8.280 nan 0.000 0.496 13 T N -2.353 112.259 114.554 0.096 0.000 2.902 13 T HA 0.159 4.509 4.350 -0.000 0.000 0.280 13 T C 1.408 176.120 174.700 0.020 0.000 0.992 13 T CA -0.230 61.901 62.100 0.052 0.000 1.015 13 T CB 1.707 70.603 68.868 0.046 0.000 1.044 13 T HN 0.035 nan 8.240 nan 0.000 0.520 14 T N 1.820 116.383 114.554 0.014 0.000 2.555 14 T HA -0.135 4.215 4.350 -0.000 0.000 0.264 14 T C 2.456 177.157 174.700 0.001 0.000 1.083 14 T CA 1.794 63.896 62.100 0.004 0.000 1.179 14 T CB -1.126 67.745 68.868 0.005 0.000 0.863 14 T HN 0.859 nan 8.240 nan 0.000 0.412 15 A N 1.325 124.149 122.820 0.006 0.000 2.009 15 A HA -0.078 4.242 4.320 -0.000 0.000 0.222 15 A C 2.544 180.129 177.584 0.002 0.000 1.175 15 A CA 2.212 54.252 52.037 0.004 0.000 0.651 15 A CB -1.433 17.571 19.000 0.008 0.000 0.815 15 A HN 0.579 nan 8.150 nan 0.000 0.459 16 G N -0.549 108.254 108.800 0.004 0.000 2.394 16 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.215 16 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.215 16 G C 1.571 176.460 174.900 -0.018 0.000 1.165 16 G CA 0.841 45.941 45.100 -0.000 0.000 0.784 16 G HN 0.486 nan 8.290 nan 0.000 0.535 17 K N 0.625 121.010 120.400 -0.025 0.000 2.057 17 K HA 0.051 4.371 4.320 -0.000 0.000 0.207 17 K C 2.465 179.046 176.600 -0.033 0.000 1.049 17 K CA 0.504 56.767 56.287 -0.040 0.000 0.931 17 K CB -0.683 31.794 32.500 -0.037 0.000 0.714 17 K HN 0.334 nan 8.250 nan 0.000 0.440 18 L N 0.747 121.959 121.223 -0.019 0.000 1.976 18 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 18 L C 2.720 179.583 176.870 -0.013 0.000 1.071 18 L CA 1.461 56.293 54.840 -0.013 0.000 0.746 18 L CB -0.929 41.127 42.059 -0.005 0.000 0.890 18 L HN 0.133 nan 8.230 nan 0.000 0.432 19 A N 0.010 122.824 122.820 -0.010 0.000 1.940 19 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 19 A C 1.943 179.518 177.584 -0.016 0.000 1.176 19 A CA 2.225 54.258 52.037 -0.006 0.000 0.631 19 A CB -0.708 18.291 19.000 -0.002 0.000 0.814 19 A HN 0.495 nan 8.150 nan 0.000 0.446 20 D N -0.657 119.726 120.400 -0.029 0.000 2.117 20 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 20 D C 1.745 178.004 176.300 -0.069 0.000 0.987 20 D CA 1.324 55.296 54.000 -0.046 0.000 0.829 20 D CB -0.207 40.556 40.800 -0.061 0.000 0.961 20 D HN 0.274 nan 8.370 nan 0.000 0.460 21 L N 0.898 122.078 121.223 -0.071 0.000 1.994 21 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 21 L C 2.245 179.089 176.870 -0.043 0.000 1.071 21 L CA 1.702 56.487 54.840 -0.092 0.000 0.745 21 L CB -0.539 41.496 42.059 -0.040 0.000 0.892 21 L HN -0.052 nan 8.230 nan 0.000 0.431 22 R N -0.761 119.735 120.500 -0.006 0.000 2.139 22 R HA -0.213 4.127 4.340 -0.000 0.000 0.243 22 R C 2.436 178.753 176.300 0.028 0.000 1.145 22 R CA 1.572 57.684 56.100 0.021 0.000 0.976 22 R CB -0.532 29.779 30.300 0.019 0.000 0.866 22 R HN 0.445 nan 8.270 nan 0.000 0.449 23 R N 1.022 121.526 120.500 0.006 0.000 2.075 23 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 23 R C 2.230 178.551 176.300 0.036 0.000 1.126 23 R CA 1.225 57.337 56.100 0.020 0.000 0.963 23 R CB 0.078 30.379 30.300 0.002 0.000 0.858 23 R HN 0.207 nan 8.270 nan 0.000 0.435 24 R N 0.741 121.224 120.500 -0.028 0.000 2.073 24 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 24 R C 2.490 178.828 176.300 0.063 0.000 1.120 24 R CA 1.533 57.605 56.100 -0.047 0.000 0.967 24 R CB -0.786 29.251 30.300 -0.438 0.000 0.862 24 R HN 0.398 nan 8.270 nan 0.000 0.436 25 I N 0.075 120.713 120.570 0.113 0.000 2.502 25 I HA -0.211 3.959 4.170 -0.000 0.000 0.258 25 I C 2.053 178.266 176.117 0.159 0.000 1.172 25 I CA 1.693 63.144 61.300 0.251 0.000 1.430 25 I CB -0.150 37.958 38.000 0.180 0.000 1.086 25 I HN 0.030 nan 8.210 nan 0.000 0.440 26 E N 1.812 122.104 120.200 0.153 0.000 2.060 26 E HA -0.158 4.192 4.350 -0.000 0.000 0.189 26 E C 2.051 178.817 176.600 0.276 0.000 0.974 26 E CA 1.564 58.085 56.400 0.202 0.000 0.808 26 E CB -0.111 29.694 29.700 0.175 0.000 0.768 26 E HN 0.643 nan 8.360 nan 0.000 0.453 27 E N 0.359 120.704 120.200 0.241 0.000 2.077 27 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 27 E C 2.098 178.878 176.600 0.300 0.000 0.989 27 E CA 0.970 57.524 56.400 0.258 0.000 0.800 27 E CB -0.268 29.570 29.700 0.231 0.000 0.746 27 E HN 0.336 nan 8.360 nan 0.000 0.452 28 A N 1.626 124.670 122.820 0.374 0.000 1.883 28 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 28 A C 2.491 180.145 177.584 0.117 0.000 1.186 28 A CA 2.324 54.566 52.037 0.342 0.000 0.624 28 A CB -1.290 17.894 19.000 0.307 0.000 0.822 28 A HN 0.410 nan 8.150 nan 0.000 0.444 29 T N -3.956 110.584 114.554 -0.025 0.000 3.163 29 T HA -0.022 4.328 4.350 -0.000 0.000 0.260 29 T C 0.527 174.947 174.700 -0.467 0.000 1.156 29 T CA 1.098 63.052 62.100 -0.242 0.000 1.072 29 T CB -0.417 68.249 68.868 -0.338 0.000 0.937 29 T HN 0.557 nan 8.240 nan 0.000 0.528 30 H N -0.397 118.725 119.070 0.086 0.000 2.779 30 H HA 0.642 5.198 4.556 -0.000 0.000 0.230 30 H C 1.365 176.718 175.328 0.043 0.000 1.365 30 H CA -0.205 55.878 56.048 0.058 0.000 1.086 30 H CB 0.313 30.107 29.762 0.053 0.000 2.038 30 H HN 0.392 nan 8.280 nan 0.000 0.558 31 A N 0.777 123.658 122.820 0.101 0.000 1.930 31 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 31 A C 1.780 179.356 177.584 -0.012 0.000 1.175 31 A CA 1.047 53.108 52.037 0.041 0.000 0.627 31 A CB -0.450 18.570 19.000 0.033 0.000 0.815 31 A HN 0.432 nan 8.150 nan 0.000 0.443 32 G N -0.761 108.044 108.800 0.008 0.000 2.667 32 G HA2 0.405 4.365 3.960 -0.000 0.000 0.250 32 G HA3 0.405 4.365 3.960 -0.000 0.000 0.250 32 G C -0.018 174.883 174.900 0.002 0.000 1.212 32 G CA 0.105 45.196 45.100 -0.015 0.000 0.874 32 G HN 0.282 nan 8.290 nan 0.000 0.561 33 S N -0.513 115.181 115.700 -0.010 0.000 2.584 33 S HA 0.382 4.852 4.470 -0.000 0.000 0.273 33 S C 1.677 176.289 174.600 0.020 0.000 1.311 33 S CA -0.032 58.168 58.200 -0.000 0.000 1.034 33 S CB 1.494 64.692 63.200 -0.005 0.000 0.939 33 S HN 0.916 nan 8.310 nan 0.000 0.513 34 A N 3.381 126.211 122.820 0.016 0.000 1.903 34 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 34 A C 2.191 179.795 177.584 0.033 0.000 1.191 34 A CA 1.404 53.454 52.037 0.021 0.000 0.638 34 A CB -0.366 18.637 19.000 0.005 0.000 0.823 34 A HN 0.656 nan 8.150 nan 0.000 0.451 35 R N -0.794 119.722 120.500 0.027 0.000 2.115 35 R HA 0.054 4.394 4.340 -0.000 0.000 0.226 35 R C 2.418 178.742 176.300 0.040 0.000 1.100 35 R CA 1.184 57.304 56.100 0.034 0.000 0.980 35 R CB -1.038 29.279 30.300 0.028 0.000 0.875 35 R HN 0.551 nan 8.270 nan 0.000 0.445 36 A N 0.619 123.461 122.820 0.036 0.000 1.902 36 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 36 A C 2.401 180.007 177.584 0.037 0.000 1.181 36 A CA 1.633 53.698 52.037 0.046 0.000 0.623 36 A CB -0.561 18.458 19.000 0.032 0.000 0.818 36 A HN 0.084 nan 8.150 nan 0.000 0.443 37 V N 0.386 120.312 119.914 0.020 0.000 2.237 37 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 37 V C 2.401 178.476 176.094 -0.032 0.000 1.046 37 V CA 2.289 64.568 62.300 -0.035 0.000 1.007 37 V CB -1.104 30.738 31.823 0.031 0.000 0.638 37 V HN 0.649 nan 8.190 nan 0.000 0.445 38 E N 0.202 120.449 120.200 0.077 0.000 2.097 38 E HA -0.286 4.064 4.350 -0.000 0.000 0.196 38 E C 2.279 178.930 176.600 0.086 0.000 1.000 38 E CA 1.422 57.898 56.400 0.126 0.000 0.804 38 E CB -0.264 29.490 29.700 0.091 0.000 0.740 38 E HN 0.578 nan 8.360 nan 0.000 0.454 39 K N 0.576 121.007 120.400 0.052 0.000 2.032 39 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 39 K C 2.314 178.925 176.600 0.019 0.000 1.048 39 K CA 1.490 57.803 56.287 0.044 0.000 0.927 39 K CB -0.117 32.419 32.500 0.059 0.000 0.712 39 K HN -0.032 nan 8.250 nan 0.000 0.441 40 Q N 0.601 120.391 119.800 -0.016 0.000 1.967 40 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 40 Q C 1.736 177.705 176.000 -0.051 0.000 0.985 40 Q CA 1.924 57.680 55.803 -0.078 0.000 0.839 40 Q CB -0.375 28.275 28.738 -0.146 0.000 0.906 40 Q HN 0.469 nan 8.270 nan 0.000 0.423 41 H N -0.709 118.371 119.070 0.017 0.000 2.357 41 H HA -0.181 4.375 4.556 -0.000 0.000 0.296 41 H C 1.824 177.153 175.328 0.002 0.000 1.108 41 H CA 1.121 57.175 56.048 0.010 0.000 1.273 41 H CB -0.163 29.609 29.762 0.017 0.000 1.367 41 H HN 0.464 nan 8.280 nan 0.000 0.498 42 A N 1.212 124.110 122.820 0.130 0.000 1.917 42 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 42 A C 2.014 179.620 177.584 0.036 0.000 1.182 42 A CA 1.844 53.922 52.037 0.069 0.000 0.633 42 A CB -0.345 18.686 19.000 0.052 0.000 0.819 42 A HN 0.358 nan 8.150 nan 0.000 0.448 43 K N -1.451 118.958 120.400 0.015 0.000 2.555 43 K HA 0.164 4.484 4.320 -0.000 0.000 0.193 43 K C 0.746 177.343 176.600 -0.005 0.000 1.032 43 K CA 0.467 56.747 56.287 -0.012 0.000 1.004 43 K CB -0.236 32.231 32.500 -0.055 0.000 0.804 43 K HN 0.764 nan 8.250 nan 0.000 0.496 44 G N 1.860 110.673 108.800 0.022 0.000 2.325 44 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.248 44 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.248 44 G C -0.646 174.270 174.900 0.027 0.000 1.108 44 G CA -0.210 44.907 45.100 0.028 0.000 0.881 44 G HN 0.215 nan 8.290 nan 0.000 0.494 45 K N -0.943 119.485 120.400 0.046 0.000 2.482 45 K HA 0.761 5.081 4.320 -0.000 0.000 0.257 45 K C -0.125 176.534 176.600 0.099 0.000 0.969 45 K CA -1.056 55.248 56.287 0.030 0.000 0.842 45 K CB 1.950 34.425 32.500 -0.042 0.000 1.359 45 K HN 0.151 nan 8.250 nan 0.000 0.441 46 L N 0.751 122.017 121.223 0.072 0.000 2.307 46 L HA 0.379 4.719 4.340 -0.000 0.000 0.284 46 L C 0.718 177.596 176.870 0.014 0.000 1.023 46 L CA -0.922 53.987 54.840 0.116 0.000 0.810 46 L CB 1.496 43.614 42.059 0.099 0.000 1.231 46 L HN 0.693 nan 8.230 nan 0.000 0.423 47 T N 1.220 115.757 114.554 -0.029 0.000 2.709 47 T HA 0.092 4.442 4.350 -0.000 0.000 0.345 47 T C 1.317 176.016 174.700 -0.001 0.000 1.086 47 T CA 0.500 62.573 62.100 -0.045 0.000 1.084 47 T CB 0.791 69.643 68.868 -0.026 0.000 1.000 47 T HN 0.744 nan 8.240 nan 0.000 0.549 48 A N 4.117 126.939 122.820 0.004 0.000 1.827 48 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 48 A C 2.356 179.909 177.584 -0.052 0.000 1.212 48 A CA 2.124 54.157 52.037 -0.007 0.000 0.624 48 A CB -0.880 18.125 19.000 0.010 0.000 0.853 48 A HN 0.980 nan 8.150 nan 0.000 0.450 49 R N 0.480 120.945 120.500 -0.058 0.000 2.276 49 R HA -0.198 4.142 4.340 -0.000 0.000 0.243 49 R C 1.529 177.770 176.300 -0.098 0.000 1.161 49 R CA 1.825 57.860 56.100 -0.109 0.000 1.007 49 R CB -0.900 29.372 30.300 -0.045 0.000 0.867 49 R HN 0.785 nan 8.270 nan 0.000 0.472 50 E N 1.168 121.345 120.200 -0.037 0.000 2.028 50 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 50 E C 2.121 178.700 176.600 -0.035 0.000 0.984 50 E CA 0.721 57.117 56.400 -0.006 0.000 0.800 50 E CB 0.095 29.830 29.700 0.059 0.000 0.758 50 E HN 0.362 nan 8.360 nan 0.000 0.448 51 R N 0.366 120.843 120.500 -0.039 0.000 2.103 51 R HA -0.165 4.175 4.340 -0.000 0.000 0.242 51 R C 2.440 178.682 176.300 -0.096 0.000 1.142 51 R CA 1.475 57.546 56.100 -0.048 0.000 0.960 51 R CB -0.390 29.886 30.300 -0.040 0.000 0.858 51 R HN 0.280 nan 8.270 nan 0.000 0.439 52 I N 1.085 121.552 120.570 -0.172 0.000 2.127 52 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 52 I C 1.541 177.535 176.117 -0.204 0.000 1.075 52 I CA 1.532 62.666 61.300 -0.277 0.000 1.334 52 I CB -0.441 37.214 38.000 -0.575 0.000 1.040 52 I HN 0.146 nan 8.210 nan 0.000 0.405 53 D N 0.802 121.106 120.400 -0.159 0.000 2.203 53 D HA -0.203 4.437 4.640 -0.000 0.000 0.199 53 D C 2.205 178.475 176.300 -0.051 0.000 0.997 53 D CA 1.179 55.131 54.000 -0.079 0.000 0.863 53 D CB -0.297 40.481 40.800 -0.037 0.000 0.928 53 D HN 0.317 nan 8.370 nan 0.000 0.458 54 L N -0.399 120.796 121.223 -0.048 0.000 2.156 54 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 54 L C 2.119 178.971 176.870 -0.030 0.000 1.095 54 L CA 0.401 55.225 54.840 -0.026 0.000 0.770 54 L CB -0.064 41.987 42.059 -0.014 0.000 0.914 54 L HN 0.112 nan 8.230 nan 0.000 0.439 55 L N -0.466 120.726 121.223 -0.051 0.000 2.071 55 L HA 0.042 4.382 4.340 -0.000 0.000 0.201 55 L C 0.932 177.778 176.870 -0.040 0.000 1.076 55 L CA 1.187 55.999 54.840 -0.047 0.000 0.755 55 L CB -0.123 41.896 42.059 -0.067 0.000 0.915 55 L HN -0.066 nan 8.230 nan 0.000 0.445 56 L N 1.185 122.377 121.223 -0.052 0.000 2.426 56 L HA 0.115 4.455 4.340 -0.000 0.000 0.271 56 L C -0.168 176.706 176.870 0.007 0.000 1.169 56 L CA -0.666 54.166 54.840 -0.012 0.000 0.836 56 L CB -0.119 41.939 42.059 -0.002 0.000 1.112 56 L HN 0.156 nan 8.230 nan 0.000 0.465 57 D N 2.262 122.677 120.400 0.025 0.000 2.488 57 D HA -0.057 4.583 4.640 -0.000 0.000 0.238 57 D C 0.395 176.716 176.300 0.035 0.000 1.138 57 D CA 0.235 54.250 54.000 0.024 0.000 0.873 57 D CB 0.589 41.406 40.800 0.029 0.000 1.183 57 D HN 0.516 nan 8.370 nan 0.000 0.458 58 E N 0.559 120.774 120.200 0.025 0.000 2.653 58 E HA -0.037 4.313 4.350 -0.000 0.000 0.264 58 E C 1.071 177.695 176.600 0.039 0.000 0.949 58 E CA 0.680 57.098 56.400 0.029 0.000 0.953 58 E CB 0.056 29.768 29.700 0.019 0.000 0.925 58 E HN 0.664 nan 8.360 nan 0.000 0.475 59 G N 3.070 111.899 108.800 0.048 0.000 2.186 59 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.266 59 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.266 59 G C 0.769 175.701 174.900 0.053 0.000 0.982 59 G CA 1.060 46.188 45.100 0.045 0.000 0.670 59 G HN 0.906 nan 8.290 nan 0.000 0.533 60 S N -1.107 114.641 115.700 0.080 0.000 2.575 60 S HA 0.477 4.947 4.470 -0.000 0.000 0.215 60 S C 0.602 175.278 174.600 0.127 0.000 0.966 60 S CA 0.028 58.284 58.200 0.094 0.000 0.911 60 S CB 0.132 63.393 63.200 0.103 0.000 0.780 60 S HN 0.969 nan 8.310 nan 0.000 0.514 61 F N 2.703 122.619 119.950 -0.057 0.000 2.420 61 F HA 0.601 5.128 4.527 -0.000 0.000 0.352 61 F C -0.693 174.985 175.800 -0.204 0.000 1.108 61 F CA -1.362 56.565 58.000 -0.122 0.000 1.162 61 F CB 1.231 40.170 39.000 -0.101 0.000 1.118 61 F HN -0.080 nan 8.300 nan 0.000 0.510 62 V N 7.062 126.414 119.914 -0.937 0.000 2.349 62 V HA 0.191 4.311 4.120 -0.000 0.000 0.284 62 V C -0.072 175.221 176.094 -1.334 0.000 1.014 62 V CA -0.915 60.761 62.300 -1.041 0.000 0.826 62 V CB 1.138 32.404 31.823 -0.929 0.000 1.009 62 V HN 0.793 nan 8.190 nan 0.000 0.431 63 E N 4.753 124.143 120.200 -1.350 0.000 2.390 63 E HA 0.466 4.816 4.350 -0.000 0.000 0.261 63 E C -1.246 175.027 176.600 -0.545 0.000 1.076 63 E CA -0.365 55.485 56.400 -0.916 0.000 0.905 63 E CB 0.982 30.289 29.700 -0.654 0.000 0.984 63 E HN 0.566 nan 8.360 nan 0.000 0.427 64 L N 3.281 124.295 121.223 -0.347 0.000 2.365 64 L HA 0.248 4.588 4.340 -0.000 0.000 0.273 64 L C -0.814 175.936 176.870 -0.199 0.000 1.000 64 L CA -0.768 53.914 54.840 -0.262 0.000 0.819 64 L CB 1.770 43.704 42.059 -0.207 0.000 1.284 64 L HN 0.717 nan 8.230 nan 0.000 0.418 65 D N 1.273 121.558 120.400 -0.193 0.000 2.723 65 D HA -0.219 4.421 4.640 -0.000 0.000 0.236 65 D C 1.063 177.255 176.300 -0.180 0.000 1.138 65 D CA 1.341 55.255 54.000 -0.143 0.000 0.676 65 D CB -0.547 40.206 40.800 -0.078 0.000 1.069 65 D HN 0.776 nan 8.370 nan 0.000 0.430 66 E N -0.723 119.265 120.200 -0.354 0.000 2.072 66 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 66 E C 1.105 177.515 176.600 -0.317 0.000 0.985 66 E CA 0.838 56.980 56.400 -0.430 0.000 0.801 66 E CB 0.019 29.259 29.700 -0.765 0.000 0.750 66 E HN 0.276 nan 8.360 nan 0.000 0.452 67 F N 0.852 120.674 119.950 -0.214 0.000 2.701 67 F HA 0.373 4.900 4.527 -0.000 0.000 0.295 67 F C 0.471 176.242 175.800 -0.048 0.000 1.165 67 F CA -0.388 57.409 58.000 -0.339 0.000 1.399 67 F CB -0.397 38.320 39.000 -0.472 0.000 0.996 67 F HN -0.058 nan 8.300 nan 0.000 0.513 68 A N 1.198 124.107 122.820 0.148 0.000 2.388 68 A HA 0.677 4.997 4.320 -0.000 0.000 0.257 68 A C 0.506 178.213 177.584 0.204 0.000 1.095 68 A CA -0.386 51.737 52.037 0.144 0.000 0.791 68 A CB 0.474 19.519 19.000 0.075 0.000 1.029 68 A HN 0.367 nan 8.150 nan 0.000 0.489 69 R N 0.914 121.509 120.500 0.159 0.000 2.628 69 R HA 0.343 4.683 4.340 -0.000 0.000 0.288 69 R C -0.838 175.497 176.300 0.060 0.000 0.980 69 R CA -0.822 55.334 56.100 0.093 0.000 0.891 69 R CB 1.641 31.965 30.300 0.039 0.000 1.188 69 R HN 1.047 nan 8.270 nan 0.000 0.450 70 H N 0.520 119.665 119.070 0.126 0.000 2.822 70 H HA 0.130 4.686 4.556 -0.000 0.000 0.373 70 H C -0.204 175.160 175.328 0.059 0.000 1.223 70 H CA -0.097 56.004 56.048 0.087 0.000 1.436 70 H CB 0.791 30.604 29.762 0.085 0.000 1.439 70 H HN 0.457 nan 8.280 nan 0.000 0.618 71 R N 1.114 121.825 120.500 0.352 0.000 2.748 71 R HA 0.205 4.545 4.340 -0.000 0.000 0.395 71 R C -0.616 175.810 176.300 0.210 0.000 1.128 71 R CA -0.227 56.013 56.100 0.233 0.000 1.042 71 R CB 0.534 30.899 30.300 0.109 0.000 1.392 71 R HN 0.591 nan 8.270 nan 0.000 0.582 72 S N 0.298 116.162 115.700 0.274 0.000 2.438 72 S HA 0.104 4.574 4.470 -0.000 0.000 0.316 72 S C 1.175 175.803 174.600 0.046 0.000 1.084 72 S CA -0.575 57.628 58.200 0.005 0.000 1.107 72 S CB 1.039 64.094 63.200 -0.241 0.000 0.981 72 S HN 0.406 nan 8.310 nan 0.000 0.466 73 T N 1.487 116.076 114.554 0.058 0.000 3.129 73 T HA 0.174 4.524 4.350 -0.000 0.000 0.251 73 T C 0.451 175.194 174.700 0.072 0.000 1.117 73 T CA -0.143 62.001 62.100 0.073 0.000 1.034 73 T CB -0.733 68.171 68.868 0.060 0.000 0.968 73 T HN 0.666 nan 8.240 nan 0.000 0.526 74 N N 1.818 120.551 118.700 0.055 0.000 2.411 74 N HA 0.148 4.888 4.740 -0.000 0.000 0.261 74 N C -0.847 174.839 175.510 0.293 0.000 1.248 74 N CA -0.128 53.017 53.050 0.159 0.000 0.885 74 N CB -0.299 38.193 38.487 0.008 0.000 1.062 74 N HN 0.355 nan 8.380 nan 0.000 0.471 75 F N 0.849 120.762 119.950 -0.063 0.000 2.891 75 F HA -0.235 4.292 4.527 -0.000 0.000 0.272 75 F C 1.540 177.312 175.800 -0.046 0.000 1.004 75 F CA 0.116 58.082 58.000 -0.057 0.000 0.938 75 F CB -1.842 37.112 39.000 -0.077 0.000 0.939 75 F HN 0.845 nan 8.300 nan 0.000 0.833 76 G N 0.890 109.742 108.800 0.088 0.000 2.439 76 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.305 76 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.305 76 G C 0.961 175.913 174.900 0.087 0.000 0.966 76 G CA 0.540 45.679 45.100 0.065 0.000 0.890 76 G HN 0.670 nan 8.290 nan 0.000 0.513 77 L N -0.205 121.068 121.223 0.082 0.000 2.395 77 L HA 0.015 4.355 4.340 -0.000 0.000 0.218 77 L C 2.373 179.382 176.870 0.232 0.000 1.130 77 L CA 1.368 56.254 54.840 0.076 0.000 0.826 77 L CB -0.170 41.798 42.059 -0.151 0.000 0.941 77 L HN 0.478 nan 8.230 nan 0.000 0.451 78 D N -0.460 120.055 120.400 0.191 0.000 2.403 78 D HA -0.148 4.492 4.640 -0.000 0.000 0.227 78 D C 1.708 178.071 176.300 0.104 0.000 0.995 78 D CA 0.859 54.966 54.000 0.177 0.000 0.928 78 D CB 0.006 40.874 40.800 0.113 0.000 0.887 78 D HN 0.211 nan 8.370 nan 0.000 0.529 79 A N -0.106 122.782 122.820 0.113 0.000 2.081 79 A HA 0.033 4.353 4.320 -0.000 0.000 0.214 79 A C 1.032 178.664 177.584 0.081 0.000 1.158 79 A CA 0.022 52.104 52.037 0.075 0.000 0.724 79 A CB 0.065 19.106 19.000 0.069 0.000 0.826 79 A HN 0.098 nan 8.150 nan 0.000 0.463 80 N N 1.093 119.895 118.700 0.169 0.000 2.706 80 N HA 0.246 4.986 4.740 -0.000 0.000 0.240 80 N C -1.073 174.566 175.510 0.215 0.000 1.039 80 N CA -0.118 53.053 53.050 0.202 0.000 0.888 80 N CB 0.783 39.504 38.487 0.390 0.000 1.128 80 N HN 0.237 nan 8.380 nan 0.000 0.512 81 R N 2.391 122.868 120.500 -0.038 0.000 2.664 81 R HA 0.278 4.618 4.340 -0.000 0.000 0.281 81 R C -2.303 173.880 176.300 -0.195 0.000 1.383 81 R CA -1.280 54.699 56.100 -0.202 0.000 1.563 81 R CB 1.221 31.354 30.300 -0.278 0.000 1.131 81 R HN 0.350 nan 8.270 nan 0.000 0.599 82 P HA -0.021 nan 4.420 nan 0.000 0.271 82 P C -0.484 176.813 177.300 -0.006 0.000 1.216 82 P CA 0.016 63.029 63.100 -0.144 0.000 0.776 82 P CB 0.685 32.272 31.700 -0.188 0.000 0.881 83 Y N 0.446 120.762 120.300 0.027 0.000 2.397 83 Y HA 0.262 4.812 4.550 -0.000 0.000 0.335 83 Y C 2.085 178.019 175.900 0.057 0.000 1.213 83 Y CA 0.676 58.822 58.100 0.077 0.000 1.391 83 Y CB 0.430 38.978 38.460 0.147 0.000 1.293 83 Y HN 0.776 nan 8.280 nan 0.000 0.557 84 G N 1.828 110.767 108.800 0.231 0.000 2.284 84 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.247 84 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.247 84 G C 0.480 175.443 174.900 0.105 0.000 1.012 84 G CA 0.541 45.702 45.100 0.101 0.000 0.618 84 G HN 0.888 nan 8.290 nan 0.000 0.521 85 D N -1.206 119.294 120.400 0.167 0.000 2.811 85 D HA 0.144 4.784 4.640 -0.000 0.000 0.231 85 D C 1.881 178.389 176.300 0.346 0.000 1.157 85 D CA 3.242 57.395 54.000 0.255 0.000 0.716 85 D CB -1.274 39.688 40.800 0.270 0.000 1.077 85 D HN 2.252 nan 8.370 nan 0.000 0.428 86 G N -2.792 106.146 108.800 0.229 0.000 2.179 86 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.220 86 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.220 86 G C 0.172 175.106 174.900 0.056 0.000 0.990 86 G CA 0.235 45.527 45.100 0.319 0.000 0.646 86 G HN 1.289 nan 8.290 nan 0.000 0.517 87 V N 0.412 120.203 119.914 -0.204 0.000 2.851 87 V HA 0.666 4.786 4.120 -0.000 0.000 0.307 87 V C -0.720 175.287 176.094 -0.145 0.000 1.129 87 V CA -0.609 61.490 62.300 -0.335 0.000 0.932 87 V CB 2.283 33.594 31.823 -0.854 0.000 1.024 87 V HN 0.557 nan 8.190 nan 0.000 0.426 88 V N 6.049 125.929 119.914 -0.057 0.000 2.350 88 V HA 0.704 4.824 4.120 -0.000 0.000 0.276 88 V C 0.313 176.436 176.094 0.050 0.000 1.028 88 V CA 0.199 62.502 62.300 0.004 0.000 0.860 88 V CB 1.530 33.356 31.823 0.005 0.000 0.990 88 V HN 1.065 nan 8.190 nan 0.000 0.453 89 T N 1.751 116.356 114.554 0.084 0.000 2.906 89 T HA 0.965 5.315 4.350 -0.000 0.000 0.295 89 T C -0.117 174.686 174.700 0.171 0.000 1.061 89 T CA -0.001 62.177 62.100 0.129 0.000 1.000 89 T CB 2.381 71.298 68.868 0.082 0.000 1.103 89 T HN 1.126 nan 8.240 nan 0.000 0.486 90 G N 0.482 109.407 108.800 0.208 0.000 2.393 90 G HA2 0.541 4.501 3.960 -0.000 0.000 0.264 90 G HA3 0.541 4.501 3.960 -0.000 0.000 0.264 90 G C -2.081 172.905 174.900 0.143 0.000 1.221 90 G CA -0.252 44.903 45.100 0.093 0.000 0.912 90 G HN 1.540 nan 8.290 nan 0.000 0.483 91 Y N -1.652 118.716 120.300 0.114 0.000 2.609 91 Y HA 0.882 5.432 4.550 -0.000 0.000 0.336 91 Y C 0.206 176.206 175.900 0.168 0.000 1.129 91 Y CA -0.637 57.532 58.100 0.116 0.000 1.040 91 Y CB 1.288 39.769 38.460 0.035 0.000 1.310 91 Y HN 1.734 nan 8.280 nan 0.000 0.460 92 G N 0.214 109.297 108.800 0.473 0.000 2.562 92 G HA2 0.563 4.523 3.960 -0.000 0.000 0.190 92 G HA3 0.563 4.523 3.960 -0.000 0.000 0.190 92 G C -1.394 173.644 174.900 0.230 0.000 1.196 92 G CA -0.310 44.994 45.100 0.339 0.000 0.986 92 G HN 1.292 nan 8.290 nan 0.000 0.512 93 T N -2.216 112.424 114.554 0.143 0.000 2.909 93 T HA 0.659 5.009 4.350 -0.000 0.000 0.299 93 T C -1.302 173.427 174.700 0.048 0.000 1.073 93 T CA -0.652 61.500 62.100 0.087 0.000 0.999 93 T CB 1.993 70.904 68.868 0.072 0.000 1.098 93 T HN 0.899 nan 8.240 nan 0.000 0.477 94 V N 2.680 122.606 119.914 0.020 0.000 2.350 94 V HA 0.380 4.500 4.120 -0.000 0.000 0.285 94 V C -0.379 175.703 176.094 -0.019 0.000 1.014 94 V CA -0.577 61.718 62.300 -0.008 0.000 0.831 94 V CB 0.697 32.502 31.823 -0.030 0.000 1.000 94 V HN 1.136 nan 8.190 nan 0.000 0.433 95 D N 4.562 124.954 120.400 -0.012 0.000 2.699 95 D HA -0.186 4.454 4.640 -0.000 0.000 0.239 95 D C 1.368 177.673 176.300 0.009 0.000 1.136 95 D CA 1.555 55.551 54.000 -0.007 0.000 0.668 95 D CB -0.982 39.806 40.800 -0.021 0.000 1.060 95 D HN 1.337 nan 8.370 nan 0.000 0.429 96 G N -0.320 108.488 108.800 0.014 0.000 2.220 96 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.269 96 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.269 96 G C 0.448 175.358 174.900 0.016 0.000 0.977 96 G CA 0.847 45.959 45.100 0.021 0.000 0.634 96 G HN 0.548 nan 8.290 nan 0.000 0.539 97 R N 1.362 121.864 120.500 0.004 0.000 2.474 97 R HA 0.488 4.828 4.340 -0.000 0.000 0.295 97 R C -2.332 173.974 176.300 0.011 0.000 0.980 97 R CA -1.851 54.245 56.100 -0.007 0.000 0.934 97 R CB 1.434 31.712 30.300 -0.038 0.000 1.101 97 R HN 0.140 nan 8.270 nan 0.000 0.469 98 P HA 0.036 nan 4.420 nan 0.000 0.268 98 P C -0.732 176.600 177.300 0.055 0.000 1.204 98 P CA 0.071 63.195 63.100 0.040 0.000 0.768 98 P CB 1.039 32.741 31.700 0.004 0.000 0.842 99 V N 2.190 122.171 119.914 0.113 0.000 2.932 99 V HA 0.585 4.705 4.120 -0.000 0.000 0.307 99 V C -0.369 175.850 176.094 0.209 0.000 1.147 99 V CA -0.842 61.529 62.300 0.118 0.000 0.951 99 V CB 2.277 34.139 31.823 0.064 0.000 1.031 99 V HN 0.755 nan 8.190 nan 0.000 0.426 100 A N 3.269 126.212 122.820 0.205 0.000 2.317 100 A HA 0.952 5.272 4.320 -0.000 0.000 0.327 100 A C -1.028 176.644 177.584 0.147 0.000 1.178 100 A CA -0.618 51.575 52.037 0.260 0.000 0.817 100 A CB 1.756 20.959 19.000 0.338 0.000 1.189 100 A HN 1.204 nan 8.150 nan 0.000 0.489 101 V N 3.046 123.039 119.914 0.131 0.000 3.048 101 V HA 0.769 4.889 4.120 -0.000 0.000 0.303 101 V C -1.879 174.258 176.094 0.072 0.000 1.214 101 V CA -0.817 61.488 62.300 0.008 0.000 0.984 101 V CB 2.037 33.817 31.823 -0.072 0.000 1.054 101 V HN 1.185 nan 8.190 nan 0.000 0.430 102 F N 3.139 123.096 119.950 0.011 0.000 2.540 102 F HA 0.873 5.400 4.527 -0.000 0.000 0.317 102 F C -0.340 175.438 175.800 -0.037 0.000 1.104 102 F CA -0.675 57.312 58.000 -0.023 0.000 0.913 102 F CB 2.154 41.141 39.000 -0.022 0.000 1.170 102 F HN 0.407 nan 8.300 nan 0.000 0.450 103 S N 3.397 119.194 115.700 0.161 0.000 2.718 103 S HA 0.254 4.724 4.470 -0.000 0.000 0.294 103 S C -0.740 173.933 174.600 0.120 0.000 1.157 103 S CA -0.611 57.644 58.200 0.092 0.000 1.121 103 S CB 0.530 63.711 63.200 -0.031 0.000 1.015 103 S HN 0.776 nan 8.310 nan 0.000 0.479 104 Q N 2.624 122.549 119.800 0.208 0.000 2.269 104 Q HA 0.006 4.346 4.340 -0.000 0.000 0.300 104 Q C -0.623 175.487 176.000 0.183 0.000 1.070 104 Q CA 0.385 56.307 55.803 0.199 0.000 0.957 104 Q CB 0.386 29.319 28.738 0.326 0.000 1.131 104 Q HN 0.525 nan 8.270 nan 0.000 0.377 105 D N 2.575 123.078 120.400 0.171 0.000 2.479 105 D HA 0.051 4.691 4.640 -0.000 0.000 0.218 105 D C -0.063 176.358 176.300 0.202 0.000 1.131 105 D CA -0.410 53.683 54.000 0.156 0.000 0.916 105 D CB -0.049 40.805 40.800 0.090 0.000 1.022 105 D HN 0.476 nan 8.370 nan 0.000 0.515 106 F N 2.157 122.155 119.950 0.080 0.000 2.449 106 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 106 F C 2.255 178.081 175.800 0.043 0.000 1.092 106 F CA 1.477 59.520 58.000 0.071 0.000 1.446 106 F CB 0.243 39.274 39.000 0.051 0.000 1.084 106 F HN 0.360 nan 8.300 nan 0.000 0.567 107 T N -2.042 112.607 114.554 0.160 0.000 3.169 107 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 107 T C 0.209 174.888 174.700 -0.036 0.000 1.111 107 T CA 0.165 62.307 62.100 0.070 0.000 1.010 107 T CB -0.658 68.245 68.868 0.058 0.000 0.984 107 T HN -0.112 nan 8.240 nan 0.000 0.537 108 V N 2.281 122.157 119.914 -0.063 0.000 2.482 108 V HA 0.442 4.562 4.120 -0.000 0.000 0.295 108 V C -0.368 175.675 176.094 -0.084 0.000 1.026 108 V CA -1.006 61.205 62.300 -0.149 0.000 0.856 108 V CB 0.595 32.355 31.823 -0.107 0.000 1.001 108 V HN 0.396 nan 8.190 nan 0.000 0.424 109 F N 3.450 123.360 119.950 -0.066 0.000 3.100 109 F HA -0.245 4.282 4.527 -0.000 0.000 0.284 109 F C 1.674 177.349 175.800 -0.209 0.000 0.875 109 F CA 1.573 59.511 58.000 -0.103 0.000 1.039 109 F CB -1.623 37.334 39.000 -0.071 0.000 1.111 109 F HN 1.013 nan 8.300 nan 0.000 0.575 110 G N -1.060 107.615 108.800 -0.207 0.000 2.179 110 G HA2 0.130 4.090 3.960 -0.000 0.000 0.257 110 G HA3 0.130 4.090 3.960 -0.000 0.000 0.257 110 G C 1.438 175.997 174.900 -0.570 0.000 1.010 110 G CA 1.010 45.738 45.100 -0.620 0.000 0.736 110 G HN 2.143 nan 8.290 nan 0.000 0.513 111 G N -1.249 107.414 108.800 -0.228 0.000 2.258 111 G HA2 0.140 4.100 3.960 -0.000 0.000 0.274 111 G HA3 0.140 4.100 3.960 -0.000 0.000 0.274 111 G C 0.739 175.608 174.900 -0.052 0.000 1.021 111 G CA 1.203 46.316 45.100 0.022 0.000 0.798 111 G HN 2.336 nan 8.290 nan 0.000 0.507 112 A N 0.267 122.993 122.820 -0.157 0.000 2.409 112 A HA 0.598 4.918 4.320 -0.000 0.000 0.262 112 A C 0.881 178.102 177.584 -0.605 0.000 1.113 112 A CA -0.443 51.440 52.037 -0.257 0.000 0.790 112 A CB 0.586 19.473 19.000 -0.188 0.000 1.046 112 A HN 1.174 nan 8.150 nan 0.000 0.496 113 L N 3.576 124.415 121.223 -0.641 0.000 2.534 113 L HA 0.347 4.687 4.340 -0.000 0.000 0.271 113 L C 0.654 177.123 176.870 -0.668 0.000 1.178 113 L CA 1.348 55.625 54.840 -0.937 0.000 0.907 113 L CB -0.284 41.309 42.059 -0.776 0.000 1.164 113 L HN 0.849 nan 8.230 nan 0.000 0.482 114 G N 4.000 112.425 108.800 -0.624 0.000 3.209 114 G HA2 0.316 4.276 3.960 -0.000 0.000 0.236 114 G HA3 0.316 4.276 3.960 -0.000 0.000 0.236 114 G C 0.273 175.061 174.900 -0.186 0.000 1.329 114 G CA 0.228 45.135 45.100 -0.321 0.000 1.015 114 G HN 0.689 nan 8.290 nan 0.000 0.571 115 E N -1.233 118.905 120.200 -0.104 0.000 2.011 115 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 115 E C 2.459 179.071 176.600 0.019 0.000 0.979 115 E CA 0.943 57.310 56.400 -0.054 0.000 0.822 115 E CB -0.308 29.366 29.700 -0.043 0.000 0.782 115 E HN 0.094 nan 8.360 nan 0.000 0.459 116 V N 0.938 120.896 119.914 0.072 0.000 2.453 116 V HA -0.271 3.849 4.120 -0.000 0.000 0.252 116 V C 2.240 178.405 176.094 0.117 0.000 1.068 116 V CA 2.109 64.467 62.300 0.097 0.000 1.070 116 V CB -0.782 31.122 31.823 0.136 0.000 0.664 116 V HN 0.444 nan 8.190 nan 0.000 0.461 117 Y N 1.732 122.022 120.300 -0.017 0.000 2.181 117 Y HA -0.084 4.466 4.550 -0.000 0.000 0.288 117 Y C 2.268 178.099 175.900 -0.115 0.000 1.146 117 Y CA 1.522 59.595 58.100 -0.045 0.000 1.164 117 Y CB -0.829 37.607 38.460 -0.040 0.000 0.982 117 Y HN 0.179 nan 8.280 nan 0.000 0.515 118 G N -0.009 108.879 108.800 0.147 0.000 2.414 118 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.215 118 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.215 118 G C 1.432 176.305 174.900 -0.045 0.000 1.188 118 G CA 0.827 45.923 45.100 -0.007 0.000 0.783 118 G HN 0.616 nan 8.290 nan 0.000 0.537 119 Q N 0.193 119.981 119.800 -0.021 0.000 2.291 119 Q HA 0.007 4.347 4.340 -0.000 0.000 0.206 119 Q C 2.161 178.149 176.000 -0.020 0.000 0.976 119 Q CA 1.201 56.995 55.803 -0.015 0.000 0.875 119 Q CB -0.227 28.512 28.738 0.001 0.000 0.927 119 Q HN 0.379 nan 8.270 nan 0.000 0.450 120 K N 0.991 121.368 120.400 -0.038 0.000 1.984 120 K HA -0.041 4.279 4.320 -0.000 0.000 0.209 120 K C 2.138 178.694 176.600 -0.073 0.000 1.046 120 K CA 1.438 57.691 56.287 -0.057 0.000 0.934 120 K CB -0.174 32.270 32.500 -0.093 0.000 0.717 120 K HN 0.183 nan 8.250 nan 0.000 0.438 121 I N 1.131 121.606 120.570 -0.157 0.000 2.185 121 I HA -0.358 3.812 4.170 -0.000 0.000 0.246 121 I C 2.273 178.357 176.117 -0.056 0.000 1.088 121 I CA 1.301 62.472 61.300 -0.216 0.000 1.347 121 I CB -0.303 37.415 38.000 -0.469 0.000 1.041 121 I HN 0.003 nan 8.210 nan 0.000 0.415 122 V N 0.785 120.678 119.914 -0.034 0.000 2.233 122 V HA -0.364 3.756 4.120 -0.000 0.000 0.247 122 V C 2.505 178.639 176.094 0.066 0.000 1.050 122 V CA 2.319 64.636 62.300 0.028 0.000 1.010 122 V CB -0.757 31.078 31.823 0.020 0.000 0.637 122 V HN 0.447 nan 8.190 nan 0.000 0.444 123 K N -0.403 120.026 120.400 0.048 0.000 2.107 123 K HA -0.265 4.055 4.320 -0.000 0.000 0.211 123 K C 2.077 178.748 176.600 0.118 0.000 1.049 123 K CA 2.255 58.584 56.287 0.069 0.000 0.927 123 K CB -0.408 32.109 32.500 0.028 0.000 0.714 123 K HN 0.304 nan 8.250 nan 0.000 0.452 124 V N 0.811 120.794 119.914 0.114 0.000 2.591 124 V HA -0.143 3.977 4.120 -0.000 0.000 0.249 124 V C 2.042 178.296 176.094 0.268 0.000 1.053 124 V CA 1.484 63.892 62.300 0.180 0.000 1.068 124 V CB -0.172 31.762 31.823 0.185 0.000 0.689 124 V HN 0.406 nan 8.190 nan 0.000 0.462 125 M N -0.933 118.797 119.600 0.218 0.000 2.394 125 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 125 M C 1.412 177.825 176.300 0.188 0.000 1.073 125 M CA 1.187 56.615 55.300 0.214 0.000 1.111 125 M CB -0.385 32.326 32.600 0.185 0.000 1.401 125 M HN 0.285 nan 8.290 nan 0.000 0.448 126 D N -0.216 120.294 120.400 0.184 0.000 2.305 126 D HA -0.023 4.617 4.640 -0.000 0.000 0.206 126 D C 1.541 177.953 176.300 0.186 0.000 0.974 126 D CA 0.792 54.884 54.000 0.154 0.000 0.871 126 D CB 0.021 40.899 40.800 0.130 0.000 0.947 126 D HN 0.291 nan 8.370 nan 0.000 0.516 127 F N 1.497 121.486 119.950 0.065 0.000 2.270 127 F HA 0.118 4.645 4.527 -0.000 0.000 0.295 127 F C 2.096 177.921 175.800 0.042 0.000 1.087 127 F CA 0.882 58.912 58.000 0.050 0.000 1.365 127 F CB 0.109 39.151 39.000 0.071 0.000 1.056 127 F HN -0.100 nan 8.300 nan 0.000 0.506 128 A N 0.040 123.037 122.820 0.294 0.000 2.121 128 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 128 A C 1.916 179.522 177.584 0.037 0.000 1.154 128 A CA 1.415 53.544 52.037 0.155 0.000 0.679 128 A CB -0.840 18.294 19.000 0.223 0.000 0.795 128 A HN 0.503 nan 8.150 nan 0.000 0.458 129 L N 0.276 121.526 121.223 0.045 0.000 2.145 129 L HA 0.031 4.371 4.340 -0.000 0.000 0.201 129 L C 2.374 179.220 176.870 -0.039 0.000 1.075 129 L CA 2.340 57.195 54.840 0.025 0.000 0.773 129 L CB -0.493 41.602 42.059 0.060 0.000 0.936 129 L HN 0.486 nan 8.230 nan 0.000 0.451 130 K N -1.023 119.332 120.400 -0.074 0.000 2.147 130 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 130 K C 1.376 177.867 176.600 -0.181 0.000 1.049 130 K CA 1.814 58.036 56.287 -0.109 0.000 0.936 130 K CB -0.753 31.687 32.500 -0.100 0.000 0.722 130 K HN 0.459 nan 8.250 nan 0.000 0.446 131 T N -2.725 111.648 114.554 -0.302 0.000 3.122 131 T HA 0.233 4.583 4.350 -0.000 0.000 0.250 131 T C 0.937 175.516 174.700 -0.202 0.000 1.067 131 T CA -0.014 61.882 62.100 -0.339 0.000 0.966 131 T CB -0.026 68.455 68.868 -0.645 0.000 1.002 131 T HN 0.433 nan 8.240 nan 0.000 0.542 132 G N 1.687 110.411 108.800 -0.126 0.000 2.352 132 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.283 132 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.283 132 G C 0.198 175.075 174.900 -0.038 0.000 0.946 132 G CA 0.027 45.094 45.100 -0.056 0.000 1.317 132 G HN 1.530 nan 8.290 nan 0.000 0.478 133 C N -0.570 118.720 119.300 -0.016 0.000 3.171 133 C HA 0.959 5.419 4.460 -0.000 0.000 0.308 133 C C -2.120 172.898 174.990 0.046 0.000 1.334 133 C CA -2.319 56.703 59.018 0.007 0.000 1.473 133 C CB 1.747 29.489 27.740 0.003 0.000 1.866 133 C HN 0.349 nan 8.230 nan 0.000 0.465 134 P HA 0.347 nan 4.420 nan 0.000 0.272 134 P C -0.996 176.345 177.300 0.067 0.000 1.254 134 P CA -0.153 62.967 63.100 0.033 0.000 0.795 134 P CB 0.360 32.050 31.700 -0.018 0.000 1.022 135 V N 0.835 120.784 119.914 0.059 0.000 2.532 135 V HA 0.164 4.284 4.120 -0.000 0.000 0.294 135 V C -0.495 175.589 176.094 -0.016 0.000 1.036 135 V CA -0.572 61.766 62.300 0.064 0.000 0.876 135 V CB 2.023 33.923 31.823 0.129 0.000 1.012 135 V HN 0.150 nan 8.190 nan 0.000 0.432 136 V N 3.623 123.484 119.914 -0.089 0.000 2.407 136 V HA 0.677 4.797 4.120 -0.000 0.000 0.278 136 V C 0.885 176.700 176.094 -0.464 0.000 1.037 136 V CA -0.213 61.984 62.300 -0.171 0.000 0.900 136 V CB 1.540 33.287 31.823 -0.127 0.000 0.983 136 V HN 0.912 nan 8.190 nan 0.000 0.459 137 G N 5.281 113.783 108.800 -0.497 0.000 2.603 137 G HA2 0.629 4.589 3.960 -0.000 0.000 0.324 137 G HA3 0.629 4.589 3.960 -0.000 0.000 0.324 137 G C -0.461 174.178 174.900 -0.434 0.000 1.178 137 G CA -0.462 44.046 45.100 -0.987 0.000 1.023 137 G HN 0.702 nan 8.290 nan 0.000 0.482 138 I N 2.900 123.233 120.570 -0.396 0.000 2.282 138 I HA 0.149 4.319 4.170 -0.000 0.000 0.290 138 I C -0.565 175.620 176.117 0.114 0.000 1.090 138 I CA -0.958 60.296 61.300 -0.077 0.000 1.231 138 I CB 0.377 38.334 38.000 -0.071 0.000 1.434 138 I HN 0.448 nan 8.210 nan 0.000 0.487 139 N N 3.953 122.758 118.700 0.176 0.000 2.456 139 N HA 0.477 5.217 4.740 -0.000 0.000 0.288 139 N C -0.850 174.781 175.510 0.203 0.000 1.059 139 N CA -0.718 52.490 53.050 0.264 0.000 0.946 139 N CB 1.576 40.237 38.487 0.290 0.000 1.150 139 N HN 0.299 nan 8.380 nan 0.000 0.479 140 D N -0.189 120.361 120.400 0.251 0.000 2.752 140 D HA 0.220 4.860 4.640 -0.000 0.000 0.242 140 D C -1.763 174.786 176.300 0.416 0.000 1.295 140 D CA -0.093 54.068 54.000 0.267 0.000 0.846 140 D CB 0.325 41.257 40.800 0.220 0.000 1.454 140 D HN 0.479 nan 8.370 nan 0.000 0.535 141 S N 0.265 116.175 115.700 0.350 0.000 2.547 141 S HA 0.619 5.089 4.470 -0.000 0.000 0.281 141 S C 1.236 175.987 174.600 0.251 0.000 1.118 141 S CA -0.135 58.240 58.200 0.292 0.000 0.947 141 S CB 1.471 64.788 63.200 0.194 0.000 1.053 141 S HN 0.240 nan 8.310 nan 0.000 0.482 142 G N 1.978 110.904 108.800 0.209 0.000 2.534 142 G HA2 0.466 4.426 3.960 -0.000 0.000 0.217 142 G HA3 0.466 4.426 3.960 -0.000 0.000 0.217 142 G C 0.868 175.829 174.900 0.103 0.000 1.128 142 G CA 0.461 45.678 45.100 0.195 0.000 0.784 142 G HN 1.544 nan 8.290 nan 0.000 0.542 143 G N -1.681 107.156 108.800 0.062 0.000 2.340 143 G HA2 0.517 4.477 3.960 -0.000 0.000 0.282 143 G HA3 0.517 4.477 3.960 -0.000 0.000 0.282 143 G C -0.408 174.525 174.900 0.054 0.000 1.312 143 G CA -0.254 44.881 45.100 0.057 0.000 0.942 143 G HN 1.032 nan 8.290 nan 0.000 0.495 144 A N -0.172 122.706 122.820 0.097 0.000 2.531 144 A HA 0.528 4.848 4.320 -0.000 0.000 0.236 144 A C 1.009 178.545 177.584 -0.079 0.000 1.062 144 A CA 0.845 52.929 52.037 0.079 0.000 0.760 144 A CB 0.071 19.145 19.000 0.124 0.000 0.995 144 A HN 1.022 nan 8.150 nan 0.000 0.501 145 R N 3.574 123.965 120.500 -0.182 0.000 3.710 145 R HA 0.180 4.520 4.340 -0.000 0.000 0.201 145 R C 1.137 177.286 176.300 -0.251 0.000 1.641 145 R CA 0.058 56.012 56.100 -0.244 0.000 1.390 145 R CB -0.834 29.267 30.300 -0.332 0.000 1.341 145 R HN 0.820 nan 8.270 nan 0.000 0.728 146 I N -0.273 120.174 120.570 -0.205 0.000 2.191 146 I HA -0.455 3.715 4.170 -0.000 0.000 0.248 146 I C 1.237 177.135 176.117 -0.365 0.000 1.061 146 I CA 1.386 62.546 61.300 -0.233 0.000 1.329 146 I CB -0.499 37.385 38.000 -0.194 0.000 1.024 146 I HN 0.394 nan 8.210 nan 0.000 0.423 147 Q N 1.432 120.970 119.800 -0.437 0.000 2.173 147 Q HA -0.210 4.130 4.340 -0.000 0.000 0.208 147 Q C 1.981 177.682 176.000 -0.498 0.000 0.989 147 Q CA 2.164 57.606 55.803 -0.602 0.000 0.872 147 Q CB -0.491 27.958 28.738 -0.482 0.000 0.909 147 Q HN 0.687 nan 8.270 nan 0.000 0.420 148 E N -0.430 119.549 120.200 -0.368 0.000 2.511 148 E HA 0.102 4.452 4.350 -0.000 0.000 0.196 148 E C 0.974 177.449 176.600 -0.208 0.000 1.066 148 E CA 0.207 56.444 56.400 -0.272 0.000 0.871 148 E CB -0.015 29.533 29.700 -0.254 0.000 0.863 148 E HN 0.401 nan 8.360 nan 0.000 0.520 149 G N 1.149 109.812 108.800 -0.229 0.000 2.536 149 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.280 149 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.280 149 G C 1.077 175.910 174.900 -0.111 0.000 1.152 149 G CA 0.704 45.709 45.100 -0.160 0.000 0.970 149 G HN 0.415 nan 8.290 nan 0.000 0.549 150 V N -1.188 118.678 119.914 -0.079 0.000 2.788 150 V HA 0.430 4.550 4.120 -0.000 0.000 0.251 150 V C 3.093 179.151 176.094 -0.061 0.000 1.068 150 V CA 2.169 64.435 62.300 -0.056 0.000 1.090 150 V CB -1.066 30.732 31.823 -0.042 0.000 0.710 150 V HN 2.275 nan 8.190 nan 0.000 0.467 151 A N 2.351 125.126 122.820 -0.076 0.000 1.884 151 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 151 A C 2.622 180.146 177.584 -0.101 0.000 1.197 151 A CA 3.302 55.290 52.037 -0.081 0.000 0.637 151 A CB -1.439 17.507 19.000 -0.090 0.000 0.827 151 A HN 1.147 nan 8.150 nan 0.000 0.450 152 S N -0.446 115.179 115.700 -0.126 0.000 2.465 152 S HA -0.061 4.409 4.470 -0.000 0.000 0.241 152 S C 1.722 176.277 174.600 -0.075 0.000 1.000 152 S CA 1.432 59.532 58.200 -0.168 0.000 0.964 152 S CB -0.609 62.486 63.200 -0.175 0.000 0.763 152 S HN 0.473 nan 8.310 nan 0.000 0.512 153 L N 0.727 121.948 121.223 -0.004 0.000 2.131 153 L HA 0.140 4.480 4.340 -0.000 0.000 0.206 153 L C 2.946 179.812 176.870 -0.007 0.000 1.087 153 L CA 0.919 55.798 54.840 0.066 0.000 0.767 153 L CB -1.103 40.960 42.059 0.007 0.000 0.917 153 L HN 0.522 nan 8.230 nan 0.000 0.441 154 G N -0.199 108.569 108.800 -0.053 0.000 2.433 154 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 154 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 154 G C 1.780 176.619 174.900 -0.101 0.000 1.186 154 G CA 0.825 45.883 45.100 -0.069 0.000 0.779 154 G HN 0.435 nan 8.290 nan 0.000 0.543 155 A N 0.214 122.951 122.820 -0.138 0.000 1.915 155 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 155 A C 2.247 179.696 177.584 -0.225 0.000 1.198 155 A CA 2.035 53.961 52.037 -0.186 0.000 0.647 155 A CB -0.831 18.014 19.000 -0.259 0.000 0.825 155 A HN 0.422 nan 8.150 nan 0.000 0.456 156 Y N -0.013 120.129 120.300 -0.264 0.000 2.128 156 Y HA -0.107 4.443 4.550 -0.000 0.000 0.284 156 Y C 2.818 178.275 175.900 -0.738 0.000 1.154 156 Y CA 0.943 58.748 58.100 -0.492 0.000 1.149 156 Y CB -1.155 36.968 38.460 -0.560 0.000 0.976 156 Y HN 0.317 nan 8.280 nan 0.000 0.505 157 G N -0.070 108.519 108.800 -0.351 0.000 2.545 157 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 157 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 157 G C 1.599 176.444 174.900 -0.091 0.000 1.218 157 G CA 1.258 46.202 45.100 -0.259 0.000 0.787 157 G HN 0.299 nan 8.290 nan 0.000 0.571 158 E N 0.581 120.746 120.200 -0.059 0.000 2.086 158 E HA -0.191 4.159 4.350 -0.000 0.000 0.205 158 E C 2.583 179.210 176.600 0.047 0.000 1.027 158 E CA 1.139 57.538 56.400 -0.001 0.000 0.830 158 E CB -0.472 29.221 29.700 -0.010 0.000 0.751 158 E HN 0.549 nan 8.360 nan 0.000 0.456 159 I N 0.441 121.033 120.570 0.036 0.000 2.315 159 I HA -0.272 3.898 4.170 -0.000 0.000 0.251 159 I C 2.289 178.593 176.117 0.311 0.000 1.125 159 I CA 0.919 62.298 61.300 0.131 0.000 1.392 159 I CB -0.258 37.805 38.000 0.104 0.000 1.065 159 I HN -0.022 nan 8.210 nan 0.000 0.424 160 F N 0.742 120.726 119.950 0.057 0.000 2.128 160 F HA -0.113 4.414 4.527 -0.000 0.000 0.295 160 F C 2.685 178.466 175.800 -0.032 0.000 1.100 160 F CA 1.144 59.164 58.000 0.032 0.000 1.260 160 F CB -1.171 37.840 39.000 0.018 0.000 1.009 160 F HN -0.016 nan 8.300 nan 0.000 0.476 161 R N 0.563 121.147 120.500 0.139 0.000 2.088 161 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 161 R C 2.451 178.684 176.300 -0.113 0.000 1.136 161 R CA 1.686 57.736 56.100 -0.083 0.000 0.926 161 R CB -0.148 30.104 30.300 -0.080 0.000 0.837 161 R HN 0.055 nan 8.270 nan 0.000 0.429 162 R N 0.422 120.940 120.500 0.031 0.000 2.154 162 R HA -0.185 4.155 4.340 -0.000 0.000 0.248 162 R C 1.938 178.300 176.300 0.103 0.000 1.155 162 R CA 1.934 58.094 56.100 0.101 0.000 0.979 162 R CB -0.978 29.398 30.300 0.127 0.000 0.869 162 R HN 0.554 nan 8.270 nan 0.000 0.452 163 N N -0.439 118.324 118.700 0.105 0.000 2.244 163 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 163 N C 1.208 176.747 175.510 0.049 0.000 1.016 163 N CA 1.426 54.537 53.050 0.102 0.000 0.866 163 N CB 0.075 38.630 38.487 0.113 0.000 0.980 163 N HN 0.203 nan 8.380 nan 0.000 0.430 164 T N -0.541 114.003 114.554 -0.017 0.000 2.894 164 T HA -0.011 4.339 4.350 -0.000 0.000 0.258 164 T C 1.326 176.044 174.700 0.029 0.000 1.043 164 T CA 0.681 62.752 62.100 -0.048 0.000 1.141 164 T CB -0.138 68.649 68.868 -0.135 0.000 0.873 164 T HN 0.257 nan 8.240 nan 0.000 0.449 165 H N 1.415 120.508 119.070 0.039 0.000 2.423 165 H HA 0.239 4.795 4.556 -0.000 0.000 0.297 165 H C 2.255 177.600 175.328 0.029 0.000 1.075 165 H CA 0.964 57.030 56.048 0.030 0.000 1.342 165 H CB -0.419 29.365 29.762 0.037 0.000 1.395 165 H HN 0.385 nan 8.280 nan 0.000 0.530 166 A N 0.186 123.107 122.820 0.168 0.000 2.275 166 A HA 0.028 4.348 4.320 -0.000 0.000 0.212 166 A C 1.413 179.055 177.584 0.096 0.000 1.201 166 A CA 0.264 52.374 52.037 0.121 0.000 0.843 166 A CB -0.114 18.967 19.000 0.134 0.000 0.873 166 A HN 0.208 nan 8.150 nan 0.000 0.492 167 S N 0.495 116.241 115.700 0.077 0.000 2.898 167 S HA 0.382 4.852 4.470 -0.000 0.000 0.324 167 S C 1.159 175.753 174.600 -0.010 0.000 1.171 167 S CA 0.912 59.144 58.200 0.054 0.000 1.288 167 S CB -0.999 62.217 63.200 0.026 0.000 1.490 167 S HN 1.600 nan 8.310 nan 0.000 0.570 168 G N 2.426 111.189 108.800 -0.061 0.000 2.227 168 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.168 168 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.168 168 G C 0.502 175.140 174.900 -0.438 0.000 1.006 168 G CA 0.054 44.939 45.100 -0.359 0.000 0.684 168 G HN 0.695 nan 8.290 nan 0.000 0.489 169 V N 1.075 120.900 119.914 -0.149 0.000 2.788 169 V HA 0.456 4.576 4.120 -0.000 0.000 0.241 169 V C 1.051 177.207 176.094 0.104 0.000 1.083 169 V CA 1.757 64.023 62.300 -0.057 0.000 1.103 169 V CB 0.174 31.998 31.823 0.003 0.000 0.800 169 V HN 0.708 nan 8.190 nan 0.000 0.476 170 I N -2.698 118.029 120.570 0.261 0.000 2.656 170 I HA 0.578 4.748 4.170 -0.000 0.000 0.292 170 I C -3.185 173.183 176.117 0.418 0.000 1.144 170 I CA -2.634 58.878 61.300 0.353 0.000 1.038 170 I CB 2.298 40.397 38.000 0.165 0.000 1.244 170 I HN -0.094 nan 8.210 nan 0.000 0.420 171 P HA 0.129 nan 4.420 nan 0.000 0.264 171 P C -1.363 175.948 177.300 0.018 0.000 1.193 171 P CA 0.242 63.237 63.100 -0.174 0.000 0.763 171 P CB 0.399 31.878 31.700 -0.368 0.000 0.810 172 Q N 2.906 122.744 119.800 0.063 0.000 2.320 172 Q HA 0.488 4.828 4.340 -0.000 0.000 0.268 172 Q C -0.578 175.479 176.000 0.094 0.000 1.023 172 Q CA -0.379 55.478 55.803 0.090 0.000 0.744 172 Q CB 1.706 30.520 28.738 0.127 0.000 1.246 172 Q HN 0.431 nan 8.270 nan 0.000 0.462 173 I N 1.361 121.979 120.570 0.080 0.000 2.377 173 I HA 0.302 4.472 4.170 -0.000 0.000 0.293 173 I C -0.129 176.033 176.117 0.075 0.000 0.987 173 I CA -0.553 60.817 61.300 0.118 0.000 1.185 173 I CB 1.930 39.989 38.000 0.099 0.000 1.341 173 I HN 0.436 nan 8.210 nan 0.000 0.455 174 S N 7.000 122.774 115.700 0.124 0.000 2.448 174 S HA 0.432 4.902 4.470 -0.000 0.000 0.320 174 S C -0.325 174.327 174.600 0.088 0.000 1.071 174 S CA -0.500 57.754 58.200 0.089 0.000 1.113 174 S CB 0.734 64.005 63.200 0.119 0.000 0.972 174 S HN 0.390 nan 8.310 nan 0.000 0.465 175 L N 5.149 126.393 121.223 0.034 0.000 2.261 175 L HA 0.486 4.826 4.340 -0.000 0.000 0.289 175 L C -1.063 175.835 176.870 0.048 0.000 1.059 175 L CA -0.420 54.444 54.840 0.041 0.000 0.816 175 L CB 0.801 42.861 42.059 0.003 0.000 1.191 175 L HN 0.345 nan 8.230 nan 0.000 0.431 176 V N 5.942 125.889 119.914 0.054 0.000 2.313 176 V HA 0.214 4.334 4.120 -0.000 0.000 0.278 176 V C 0.162 176.277 176.094 0.035 0.000 1.017 176 V CA -0.422 61.910 62.300 0.053 0.000 0.823 176 V CB 1.644 33.492 31.823 0.043 0.000 1.010 176 V HN 0.573 nan 8.190 nan 0.000 0.443 177 V N 2.188 122.125 119.914 0.038 0.000 2.562 177 V HA 0.983 5.103 4.120 -0.000 0.000 0.274 177 V C 0.262 176.364 176.094 0.012 0.000 1.075 177 V CA 0.324 62.633 62.300 0.015 0.000 1.204 177 V CB 0.082 31.912 31.823 0.011 0.000 1.478 177 V HN 1.030 nan 8.190 nan 0.000 0.622 178 G N 1.511 110.335 108.800 0.040 0.000 2.368 178 G HA2 0.397 4.357 3.960 -0.000 0.000 0.269 178 G HA3 0.397 4.357 3.960 -0.000 0.000 0.269 178 G C -3.595 171.396 174.900 0.153 0.000 1.291 178 G CA -0.435 44.692 45.100 0.045 0.000 0.903 178 G HN 0.288 nan 8.290 nan 0.000 0.483 179 P HA 0.500 nan 4.420 nan 0.000 0.274 179 P C -0.452 176.923 177.300 0.126 0.000 1.237 179 P CA -0.179 63.053 63.100 0.219 0.000 0.793 179 P CB 1.501 33.361 31.700 0.268 0.000 0.977 180 C N 2.574 121.851 119.300 -0.039 0.000 3.280 180 C HA 0.689 5.149 4.460 -0.000 0.000 0.334 180 C C -0.429 174.316 174.990 -0.408 0.000 0.977 180 C CA -0.044 58.914 59.018 -0.101 0.000 1.264 180 C CB -1.330 26.391 27.740 -0.032 0.000 1.688 180 C HN 0.657 nan 8.230 nan 0.000 0.592 181 A N 2.846 125.394 122.820 -0.453 0.000 2.299 181 A HA 0.980 5.300 4.320 -0.000 0.000 0.332 181 A C 0.831 178.233 177.584 -0.304 0.000 1.131 181 A CA 0.749 52.390 52.037 -0.659 0.000 0.844 181 A CB 0.650 19.276 19.000 -0.623 0.000 1.251 181 A HN 2.667 nan 8.150 nan 0.000 0.486 182 G N -0.183 108.474 108.800 -0.238 0.000 2.645 182 G HA2 0.143 4.103 3.960 -0.000 0.000 0.246 182 G HA3 0.143 4.103 3.960 -0.000 0.000 0.246 182 G C 1.152 175.945 174.900 -0.179 0.000 1.322 182 G CA 0.359 45.372 45.100 -0.145 0.000 0.898 182 G HN 2.058 nan 8.290 nan 0.000 0.573 183 G N -0.251 108.474 108.800 -0.125 0.000 2.516 183 G HA2 0.185 4.145 3.960 -0.000 0.000 0.221 183 G HA3 0.185 4.145 3.960 -0.000 0.000 0.221 183 G C 2.110 177.023 174.900 0.022 0.000 1.107 183 G CA 2.724 47.865 45.100 0.069 0.000 0.747 183 G HN 2.046 nan 8.290 nan 0.000 0.567 184 A N 0.777 123.413 122.820 -0.307 0.000 1.986 184 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 184 A C 2.650 180.264 177.584 0.052 0.000 1.171 184 A CA 2.329 54.311 52.037 -0.092 0.000 0.640 184 A CB -0.791 18.229 19.000 0.033 0.000 0.811 184 A HN 1.010 nan 8.150 nan 0.000 0.451 185 V N -4.105 115.711 119.914 -0.164 0.000 2.982 185 V HA -0.240 3.880 4.120 -0.000 0.000 0.265 185 V C 2.002 177.906 176.094 -0.317 0.000 1.122 185 V CA 1.757 63.899 62.300 -0.263 0.000 1.143 185 V CB -1.586 29.997 31.823 -0.400 0.000 0.726 185 V HN 0.539 nan 8.190 nan 0.000 0.507 186 Y N 0.929 121.156 120.300 -0.121 0.000 2.457 186 Y HA 0.036 4.586 4.550 -0.000 0.000 0.292 186 Y C 2.966 178.600 175.900 -0.444 0.000 1.125 186 Y CA 1.063 58.947 58.100 -0.360 0.000 1.254 186 Y CB -0.558 37.524 38.460 -0.631 0.000 1.012 186 Y HN 0.351 nan 8.280 nan 0.000 0.555 187 S N 0.660 116.316 115.700 -0.073 0.000 2.354 187 S HA -0.127 4.343 4.470 -0.000 0.000 0.219 187 S C -0.486 174.144 174.600 0.050 0.000 1.035 187 S CA 1.537 59.779 58.200 0.070 0.000 1.037 187 S CB -1.169 62.239 63.200 0.346 0.000 0.956 187 S HN 0.168 nan 8.310 nan 0.000 0.428 188 P HA 0.072 nan 4.420 nan 0.000 0.223 188 P C 1.267 178.570 177.300 0.004 0.000 1.144 188 P CA 1.278 64.411 63.100 0.055 0.000 0.783 188 P CB -0.243 31.479 31.700 0.037 0.000 0.771 189 A N -0.676 122.113 122.820 -0.051 0.000 1.933 189 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 189 A C 2.138 179.707 177.584 -0.026 0.000 1.175 189 A CA 1.398 53.398 52.037 -0.060 0.000 0.628 189 A CB -1.397 17.565 19.000 -0.064 0.000 0.814 189 A HN 0.142 nan 8.150 nan 0.000 0.444 190 I N 0.246 120.796 120.570 -0.035 0.000 2.333 190 I HA -0.089 4.081 4.170 -0.000 0.000 0.246 190 I C 1.546 177.674 176.117 0.018 0.000 1.106 190 I CA 0.792 62.078 61.300 -0.023 0.000 1.411 190 I CB -0.756 37.212 38.000 -0.054 0.000 1.082 190 I HN 0.420 nan 8.210 nan 0.000 0.420 191 T N -0.734 113.849 114.554 0.049 0.000 2.785 191 T HA -0.118 4.232 4.350 -0.000 0.000 0.341 191 T C 0.772 175.491 174.700 0.033 0.000 1.093 191 T CA -0.031 62.114 62.100 0.074 0.000 1.103 191 T CB 0.481 69.413 68.868 0.108 0.000 1.011 191 T HN 0.190 nan 8.240 nan 0.000 0.549 192 D N -0.010 120.378 120.400 -0.020 0.000 2.194 192 D HA 0.090 4.730 4.640 -0.000 0.000 0.204 192 D C -0.071 175.832 176.300 -0.662 0.000 0.964 192 D CA 1.058 54.886 54.000 -0.287 0.000 0.846 192 D CB 0.004 40.638 40.800 -0.277 0.000 0.962 192 D HN 0.494 nan 8.370 nan 0.000 0.490 193 F N 0.194 120.184 119.950 0.067 0.000 2.588 193 F HA 0.262 4.789 4.527 -0.000 0.000 0.318 193 F C -0.233 175.732 175.800 0.274 0.000 1.155 193 F CA -0.814 57.224 58.000 0.063 0.000 0.967 193 F CB 2.119 41.115 39.000 -0.006 0.000 1.236 193 F HN -0.459 nan 8.300 nan 0.000 0.455 194 T N 2.952 117.925 114.554 0.698 0.000 2.823 194 T HA 0.630 4.980 4.350 -0.000 0.000 0.279 194 T C -1.117 173.764 174.700 0.302 0.000 0.998 194 T CA -0.703 61.603 62.100 0.343 0.000 0.994 194 T CB 1.987 70.947 68.868 0.153 0.000 0.960 194 T HN 0.457 nan 8.240 nan 0.000 0.448 195 V N 4.873 124.901 119.914 0.189 0.000 2.604 195 V HA 0.776 4.896 4.120 -0.000 0.000 0.305 195 V C -1.248 174.877 176.094 0.052 0.000 1.043 195 V CA -0.843 61.532 62.300 0.126 0.000 0.888 195 V CB 1.509 33.431 31.823 0.164 0.000 0.995 195 V HN 0.916 nan 8.190 nan 0.000 0.429 196 M N 5.662 125.259 119.600 -0.005 0.000 2.518 196 M HA 0.589 5.069 4.480 -0.000 0.000 0.300 196 M C -1.331 174.928 176.300 -0.069 0.000 1.175 196 M CA -0.891 54.390 55.300 -0.032 0.000 0.890 196 M CB 2.483 35.057 32.600 -0.043 0.000 1.710 196 M HN 0.378 nan 8.290 nan 0.000 0.453 197 V N 1.153 121.031 119.914 -0.061 0.000 2.328 197 V HA 0.148 4.268 4.120 -0.000 0.000 0.278 197 V C -0.413 175.624 176.094 -0.094 0.000 1.021 197 V CA -0.681 61.577 62.300 -0.071 0.000 0.838 197 V CB 1.029 32.828 31.823 -0.040 0.000 0.999 197 V HN 0.812 nan 8.190 nan 0.000 0.447 198 D N 5.517 125.852 120.400 -0.109 0.000 2.662 198 D HA -0.053 4.587 4.640 -0.000 0.000 0.233 198 D C 0.866 177.111 176.300 -0.093 0.000 1.129 198 D CA 1.126 55.061 54.000 -0.107 0.000 0.851 198 D CB 0.397 41.138 40.800 -0.098 0.000 1.152 198 D HN 0.648 nan 8.370 nan 0.000 0.507 199 Q N 1.827 121.558 119.800 -0.115 0.000 2.504 199 Q HA -0.163 4.177 4.340 -0.000 0.000 0.269 199 Q C 0.114 176.076 176.000 -0.064 0.000 0.970 199 Q CA 1.396 57.150 55.803 -0.081 0.000 1.064 199 Q CB -2.916 25.798 28.738 -0.039 0.000 1.355 199 Q HN 0.732 nan 8.270 nan 0.000 0.557 200 T N -3.240 111.247 114.554 -0.111 0.000 3.918 200 T HA 0.276 4.626 4.350 -0.000 0.000 0.318 200 T C -0.141 174.531 174.700 -0.046 0.000 0.885 200 T CA 0.330 62.403 62.100 -0.046 0.000 0.947 200 T CB 0.262 69.104 68.868 -0.042 0.000 1.170 200 T HN 0.466 nan 8.240 nan 0.000 0.612 201 S N 0.743 116.334 115.700 -0.181 0.000 2.563 201 S HA 0.720 5.190 4.470 -0.000 0.000 0.279 201 S C -1.751 172.699 174.600 -0.250 0.000 1.155 201 S CA -0.849 57.310 58.200 -0.067 0.000 0.928 201 S CB 1.307 64.482 63.200 -0.041 0.000 1.107 201 S HN 0.370 nan 8.310 nan 0.000 0.462 202 H N 1.673 120.848 119.070 0.176 0.000 2.851 202 H HA 0.663 5.219 4.556 -0.000 0.000 0.372 202 H C -0.764 174.751 175.328 0.312 0.000 1.158 202 H CA -0.941 55.298 56.048 0.318 0.000 1.159 202 H CB 1.547 31.590 29.762 0.468 0.000 1.757 202 H HN 0.619 nan 8.280 nan 0.000 0.546 203 M N 3.585 123.478 119.600 0.490 0.000 1.987 203 M HA 0.307 4.787 4.480 -0.000 0.000 0.298 203 M C -1.606 174.922 176.300 0.379 0.000 0.892 203 M CA -0.488 54.935 55.300 0.205 0.000 0.885 203 M CB 0.401 32.912 32.600 -0.149 0.000 1.469 203 M HN 0.533 nan 8.290 nan 0.000 0.389 204 F N 0.177 120.219 119.950 0.154 0.000 2.547 204 F HA 0.540 5.067 4.527 -0.000 0.000 0.316 204 F C 0.165 175.978 175.800 0.022 0.000 1.121 204 F CA -1.043 57.021 58.000 0.106 0.000 0.911 204 F CB 1.003 40.078 39.000 0.125 0.000 1.179 204 F HN 0.302 nan 8.300 nan 0.000 0.443 205 I N 1.759 122.357 120.570 0.047 0.000 2.584 205 I HA -0.010 4.160 4.170 -0.000 0.000 0.255 205 I C 0.730 176.891 176.117 0.073 0.000 1.145 205 I CA 1.277 62.547 61.300 -0.049 0.000 1.462 205 I CB -0.192 37.755 38.000 -0.089 0.000 1.102 205 I HN 0.829 nan 8.210 nan 0.000 0.433 206 T N -0.959 113.695 114.554 0.167 0.000 2.859 206 T HA 0.657 5.007 4.350 -0.000 0.000 0.281 206 T C 0.345 175.187 174.700 0.237 0.000 1.005 206 T CA -0.669 61.523 62.100 0.153 0.000 1.025 206 T CB 1.755 70.669 68.868 0.076 0.000 0.977 206 T HN 0.267 nan 8.240 nan 0.000 0.458 207 G N 2.250 111.147 108.800 0.162 0.000 2.569 207 G HA2 0.444 4.404 3.960 -0.000 0.000 0.249 207 G HA3 0.444 4.404 3.960 -0.000 0.000 0.249 207 G C -1.686 173.124 174.900 -0.151 0.000 1.216 207 G CA -1.559 43.580 45.100 0.065 0.000 0.845 207 G HN 0.505 nan 8.290 nan 0.000 0.568 208 P HA -0.132 nan 4.420 nan 0.000 0.214 208 P C 1.601 178.742 177.300 -0.266 0.000 1.163 208 P CA 1.672 64.483 63.100 -0.483 0.000 0.889 208 P CB 0.158 31.303 31.700 -0.925 0.000 0.790 209 D N -0.443 119.835 120.400 -0.202 0.000 2.097 209 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 209 D C 1.834 178.089 176.300 -0.075 0.000 0.984 209 D CA 1.269 55.201 54.000 -0.113 0.000 0.826 209 D CB -1.198 39.560 40.800 -0.070 0.000 0.973 209 D HN 0.031 nan 8.370 nan 0.000 0.460 210 V N 1.517 121.397 119.914 -0.056 0.000 2.380 210 V HA -0.259 3.861 4.120 -0.000 0.000 0.251 210 V C 2.771 178.844 176.094 -0.035 0.000 1.063 210 V CA 1.331 63.613 62.300 -0.029 0.000 1.055 210 V CB -0.683 31.137 31.823 -0.006 0.000 0.657 210 V HN 0.174 nan 8.190 nan 0.000 0.455 211 I N -0.255 120.282 120.570 -0.056 0.000 2.179 211 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 211 I C 2.594 178.681 176.117 -0.049 0.000 1.088 211 I CA 1.943 63.211 61.300 -0.052 0.000 1.357 211 I CB -0.456 37.497 38.000 -0.078 0.000 1.051 211 I HN 0.248 nan 8.210 nan 0.000 0.409 212 K N 0.841 121.203 120.400 -0.063 0.000 1.985 212 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 212 K C 1.948 178.527 176.600 -0.035 0.000 1.047 212 K CA 2.126 58.382 56.287 -0.052 0.000 0.932 212 K CB -0.325 32.138 32.500 -0.061 0.000 0.716 212 K HN 0.402 nan 8.250 nan 0.000 0.439 213 T N -1.510 113.024 114.554 -0.033 0.000 3.320 213 T HA -0.005 4.345 4.350 -0.000 0.000 0.262 213 T C 1.123 175.813 174.700 -0.016 0.000 1.187 213 T CA 0.717 62.804 62.100 -0.022 0.000 1.038 213 T CB 0.069 68.926 68.868 -0.018 0.000 0.939 213 T HN 0.085 nan 8.240 nan 0.000 0.550 214 V N -0.121 119.783 119.914 -0.018 0.000 3.221 214 V HA 0.174 4.294 4.120 -0.000 0.000 0.254 214 V C 2.074 178.161 176.094 -0.012 0.000 1.586 214 V CA 0.629 62.922 62.300 -0.012 0.000 1.074 214 V CB 0.785 32.603 31.823 -0.009 0.000 0.912 214 V HN 0.706 nan 8.190 nan 0.000 0.426 215 T N -3.588 110.956 114.554 -0.016 0.000 3.058 215 T HA 0.416 4.766 4.350 -0.000 0.000 0.278 215 T C 1.603 176.292 174.700 -0.017 0.000 0.974 215 T CA 1.169 63.260 62.100 -0.015 0.000 0.893 215 T CB 1.168 70.027 68.868 -0.015 0.000 1.138 215 T HN 0.958 nan 8.240 nan 0.000 0.529 216 G N 2.201 110.988 108.800 -0.021 0.000 2.377 216 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.250 216 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.250 216 G C -0.069 174.814 174.900 -0.028 0.000 1.039 216 G CA 0.256 45.343 45.100 -0.022 0.000 0.625 216 G HN 0.711 nan 8.290 nan 0.000 0.526 217 E N 1.702 121.885 120.200 -0.029 0.000 2.417 217 E HA 0.384 4.734 4.350 -0.000 0.000 0.261 217 E C -0.586 175.984 176.600 -0.050 0.000 1.000 217 E CA 0.210 56.589 56.400 -0.035 0.000 0.919 217 E CB 0.730 30.411 29.700 -0.032 0.000 0.955 217 E HN 0.263 nan 8.360 nan 0.000 0.455 218 D N 2.757 123.126 120.400 -0.052 0.000 2.308 218 D HA 0.389 5.029 4.640 -0.000 0.000 0.242 218 D C -1.379 174.875 176.300 -0.078 0.000 1.059 218 D CA -0.673 53.285 54.000 -0.070 0.000 0.830 218 D CB 1.496 42.262 40.800 -0.058 0.000 1.161 218 D HN 0.230 nan 8.370 nan 0.000 0.494 219 V N 0.641 120.488 119.914 -0.113 0.000 2.969 219 V HA 0.875 4.995 4.120 -0.000 0.000 0.304 219 V C 0.290 176.272 176.094 -0.186 0.000 1.192 219 V CA -0.979 61.250 62.300 -0.119 0.000 0.962 219 V CB 1.239 32.998 31.823 -0.107 0.000 1.045 219 V HN 0.499 nan 8.190 nan 0.000 0.428 220 G N 1.295 110.011 108.800 -0.141 0.000 2.537 220 G HA2 0.501 4.461 3.960 -0.000 0.000 0.273 220 G HA3 0.501 4.461 3.960 -0.000 0.000 0.273 220 G C 0.065 174.862 174.900 -0.172 0.000 1.189 220 G CA -0.450 44.554 45.100 -0.160 0.000 0.881 220 G HN 0.729 nan 8.290 nan 0.000 0.535 221 F N 0.171 120.007 119.950 -0.190 0.000 2.021 221 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 221 F C 2.642 178.441 175.800 -0.001 0.000 1.152 221 F CA 2.219 60.065 58.000 -0.256 0.000 1.201 221 F CB -0.553 38.163 39.000 -0.473 0.000 0.951 221 F HN 0.574 nan 8.300 nan 0.000 0.504 222 E N 0.781 121.199 120.200 0.364 0.000 2.072 222 E HA -0.347 4.003 4.350 -0.000 0.000 0.218 222 E C 2.063 178.715 176.600 0.088 0.000 1.051 222 E CA 2.204 58.761 56.400 0.262 0.000 0.880 222 E CB -0.680 29.122 29.700 0.170 0.000 0.783 222 E HN 0.515 nan 8.360 nan 0.000 0.473 223 E N -0.750 119.471 120.200 0.034 0.000 2.147 223 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 223 E C 2.035 178.603 176.600 -0.053 0.000 1.005 223 E CA 1.362 57.750 56.400 -0.020 0.000 0.810 223 E CB -0.263 29.419 29.700 -0.029 0.000 0.736 223 E HN 0.323 nan 8.360 nan 0.000 0.460 224 L N -0.135 121.058 121.223 -0.051 0.000 1.938 224 L HA 0.053 4.393 4.340 -0.000 0.000 0.212 224 L C 1.827 178.629 176.870 -0.113 0.000 1.085 224 L CA 2.468 57.262 54.840 -0.076 0.000 0.760 224 L CB -0.675 41.322 42.059 -0.102 0.000 0.888 224 L HN 0.120 nan 8.230 nan 0.000 0.433 225 G N -0.718 108.086 108.800 0.007 0.000 4.331 225 G HA2 0.450 4.410 3.960 -0.000 0.000 0.299 225 G HA3 0.450 4.410 3.960 -0.000 0.000 0.299 225 G C 0.298 175.258 174.900 0.099 0.000 1.158 225 G CA 0.135 45.208 45.100 -0.046 0.000 0.916 225 G HN 0.662 nan 8.290 nan 0.000 0.553 226 G N -0.681 108.114 108.800 -0.008 0.000 2.634 226 G HA2 0.460 4.420 3.960 -0.000 0.000 0.255 226 G HA3 0.460 4.420 3.960 -0.000 0.000 0.255 226 G C 1.308 176.150 174.900 -0.096 0.000 1.205 226 G CA 0.297 45.331 45.100 -0.110 0.000 0.884 226 G HN 0.437 nan 8.290 nan 0.000 0.549 227 A N 0.629 123.364 122.820 -0.141 0.000 1.884 227 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 227 A C 2.358 179.898 177.584 -0.074 0.000 1.197 227 A CA 2.242 54.227 52.037 -0.087 0.000 0.637 227 A CB -0.630 18.295 19.000 -0.124 0.000 0.827 227 A HN 0.725 nan 8.150 nan 0.000 0.450 228 R N -1.105 119.342 120.500 -0.089 0.000 2.091 228 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 228 R C 2.225 178.484 176.300 -0.069 0.000 1.136 228 R CA 2.164 58.219 56.100 -0.075 0.000 0.959 228 R CB -0.715 29.547 30.300 -0.064 0.000 0.856 228 R HN 0.543 nan 8.270 nan 0.000 0.437 229 T N 0.411 114.904 114.554 -0.102 0.000 2.595 229 T HA -0.173 4.177 4.350 -0.000 0.000 0.264 229 T C 1.612 176.224 174.700 -0.147 0.000 1.058 229 T CA 1.560 63.571 62.100 -0.148 0.000 1.166 229 T CB -0.566 68.152 68.868 -0.251 0.000 0.863 229 T HN 0.405 nan 8.240 nan 0.000 0.415 230 H N 0.963 119.985 119.070 -0.079 0.000 2.422 230 H HA 0.012 4.568 4.556 -0.000 0.000 0.298 230 H C 2.044 177.263 175.328 -0.182 0.000 1.098 230 H CA 1.171 57.139 56.048 -0.133 0.000 1.315 230 H CB -0.484 29.207 29.762 -0.118 0.000 1.382 230 H HN 0.300 nan 8.280 nan 0.000 0.523 231 N N 0.001 118.692 118.700 -0.016 0.000 2.461 231 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 231 N C 0.342 175.857 175.510 0.008 0.000 1.134 231 N CA 0.685 53.706 53.050 -0.048 0.000 0.878 231 N CB 0.395 38.840 38.487 -0.070 0.000 0.972 231 N HN 0.223 nan 8.380 nan 0.000 0.456 232 S N -3.950 111.761 115.700 0.018 0.000 3.101 232 S HA 0.280 4.750 4.470 -0.000 0.000 0.252 232 S C 0.467 175.157 174.600 0.149 0.000 0.920 232 S CA -0.520 57.749 58.200 0.116 0.000 1.158 232 S CB 0.282 63.518 63.200 0.061 0.000 1.125 232 S HN 0.023 nan 8.310 nan 0.000 0.608 233 T N 0.944 115.540 114.554 0.071 0.000 3.689 233 T HA 0.113 4.463 4.350 -0.000 0.000 0.293 233 T C 1.698 176.388 174.700 -0.017 0.000 0.955 233 T CA 0.579 62.726 62.100 0.080 0.000 1.130 233 T CB -0.395 68.476 68.868 0.005 0.000 1.138 233 T HN 0.415 nan 8.240 nan 0.000 0.477 234 S N 1.262 116.866 115.700 -0.160 0.000 2.425 234 S HA 0.387 4.857 4.470 -0.000 0.000 0.225 234 S C 1.959 176.189 174.600 -0.616 0.000 1.024 234 S CA 0.855 58.939 58.200 -0.194 0.000 0.951 234 S CB -0.443 62.785 63.200 0.047 0.000 0.796 234 S HN 1.200 nan 8.310 nan 0.000 0.498 235 G N 1.054 109.186 108.800 -1.114 0.000 2.176 235 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 235 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 235 G C 0.691 175.185 174.900 -0.676 0.000 1.024 235 G CA 0.643 44.741 45.100 -1.671 0.000 0.755 235 G HN 1.417 nan 8.290 nan 0.000 0.507 236 V N -3.651 115.989 119.914 -0.457 0.000 3.052 236 V HA 0.723 4.843 4.120 -0.000 0.000 0.254 236 V C 1.264 177.107 176.094 -0.417 0.000 1.100 236 V CA 1.506 63.586 62.300 -0.368 0.000 1.112 236 V CB 0.140 31.736 31.823 -0.377 0.000 0.738 236 V HN 1.749 nan 8.190 nan 0.000 0.469 237 A N -0.528 122.052 122.820 -0.400 0.000 2.337 237 A HA 0.758 5.078 4.320 -0.000 0.000 0.331 237 A C 0.116 177.461 177.584 -0.398 0.000 1.137 237 A CA -0.325 51.510 52.037 -0.337 0.000 0.807 237 A CB 0.922 19.834 19.000 -0.146 0.000 1.250 237 A HN 0.540 nan 8.150 nan 0.000 0.468 238 H N -1.077 118.066 119.070 0.121 0.000 2.740 238 H HA 0.288 4.844 4.556 -0.000 0.000 0.265 238 H C -0.108 175.286 175.328 0.110 0.000 0.978 238 H CA 0.932 57.090 56.048 0.183 0.000 1.198 238 H CB 0.438 30.437 29.762 0.393 0.000 1.467 238 H HN 0.791 nan 8.280 nan 0.000 0.511 239 H N -0.140 118.892 119.070 -0.063 0.000 3.037 239 H HA 0.400 4.956 4.556 -0.000 0.000 0.336 239 H C -1.682 173.508 175.328 -0.230 0.000 1.323 239 H CA -1.025 54.850 56.048 -0.289 0.000 1.159 239 H CB 1.404 30.666 29.762 -0.833 0.000 1.882 239 H HN 0.063 nan 8.280 nan 0.000 0.535 240 M N 3.406 122.526 119.600 -0.799 0.000 2.124 240 M HA 0.712 5.192 4.480 -0.000 0.000 0.280 240 M C -1.500 174.426 176.300 -0.623 0.000 0.954 240 M CA -0.649 54.352 55.300 -0.498 0.000 0.958 240 M CB 1.143 33.549 32.600 -0.324 0.000 1.611 240 M HN 0.707 nan 8.290 nan 0.000 0.449 241 A N 3.036 125.675 122.820 -0.303 0.000 2.302 241 A HA 0.677 4.997 4.320 -0.000 0.000 0.285 241 A C 0.980 178.503 177.584 -0.101 0.000 1.105 241 A CA 0.023 51.978 52.037 -0.137 0.000 0.816 241 A CB 0.712 19.721 19.000 0.014 0.000 1.067 241 A HN 1.081 nan 8.150 nan 0.000 0.489 242 G N 0.091 108.862 108.800 -0.050 0.000 2.403 242 G HA2 0.197 4.157 3.960 -0.000 0.000 0.216 242 G HA3 0.197 4.157 3.960 -0.000 0.000 0.216 242 G C 0.185 175.071 174.900 -0.023 0.000 1.154 242 G CA 1.327 46.405 45.100 -0.038 0.000 0.784 242 G HN 0.958 nan 8.290 nan 0.000 0.538 243 D N -2.636 117.762 120.400 -0.003 0.000 2.610 243 D HA 0.249 4.889 4.640 -0.000 0.000 0.271 243 D C 0.379 176.687 176.300 0.015 0.000 1.174 243 D CA -0.850 53.152 54.000 0.003 0.000 0.949 243 D CB 0.467 41.273 40.800 0.011 0.000 1.430 243 D HN -0.018 nan 8.370 nan 0.000 0.467 244 E N -0.673 119.536 120.200 0.015 0.000 2.463 244 E HA -0.126 4.224 4.350 -0.000 0.000 0.201 244 E C 1.003 177.622 176.600 0.033 0.000 1.045 244 E CA 0.783 57.196 56.400 0.022 0.000 0.872 244 E CB 0.134 29.846 29.700 0.019 0.000 0.797 244 E HN 0.326 nan 8.360 nan 0.000 0.538 245 K N 0.334 120.755 120.400 0.036 0.000 2.063 245 K HA -0.061 4.259 4.320 -0.000 0.000 0.204 245 K C 1.599 178.237 176.600 0.064 0.000 1.039 245 K CA 0.927 57.239 56.287 0.042 0.000 0.957 245 K CB 0.218 32.739 32.500 0.035 0.000 0.764 245 K HN -0.019 nan 8.250 nan 0.000 0.447 246 D N 1.158 121.602 120.400 0.073 0.000 2.271 246 D HA -0.179 4.461 4.640 -0.000 0.000 0.207 246 D C 1.613 178.007 176.300 0.155 0.000 0.983 246 D CA 1.097 55.165 54.000 0.114 0.000 0.878 246 D CB -0.072 40.796 40.800 0.114 0.000 0.920 246 D HN 0.244 nan 8.370 nan 0.000 0.479 247 A N 0.836 123.727 122.820 0.118 0.000 1.832 247 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 247 A C 2.548 180.222 177.584 0.150 0.000 1.200 247 A CA 1.110 53.231 52.037 0.140 0.000 0.610 247 A CB -0.889 18.160 19.000 0.081 0.000 0.842 247 A HN 0.119 nan 8.150 nan 0.000 0.444 248 V N 0.610 120.578 119.914 0.089 0.000 2.439 248 V HA -0.283 3.837 4.120 -0.000 0.000 0.253 248 V C 2.585 178.723 176.094 0.074 0.000 1.074 248 V CA 2.579 64.917 62.300 0.063 0.000 1.076 248 V CB -0.855 30.984 31.823 0.028 0.000 0.664 248 V HN 0.761 nan 8.190 nan 0.000 0.461 249 E N -0.467 119.792 120.200 0.099 0.000 2.107 249 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 249 E C 2.012 178.690 176.600 0.131 0.000 0.982 249 E CA 1.245 57.700 56.400 0.092 0.000 0.809 249 E CB -0.454 29.305 29.700 0.098 0.000 0.756 249 E HN 0.666 nan 8.360 nan 0.000 0.459 250 Y N -0.105 120.238 120.300 0.072 0.000 2.181 250 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 250 Y C 2.249 178.210 175.900 0.103 0.000 1.146 250 Y CA 1.814 59.980 58.100 0.110 0.000 1.164 250 Y CB -0.411 38.058 38.460 0.015 0.000 0.982 250 Y HN 0.056 nan 8.280 nan 0.000 0.515 251 V N 0.383 120.421 119.914 0.206 0.000 2.343 251 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 251 V C 2.130 178.191 176.094 -0.054 0.000 1.051 251 V CA 2.437 64.787 62.300 0.084 0.000 1.036 251 V CB -0.392 31.484 31.823 0.089 0.000 0.654 251 V HN 0.435 nan 8.190 nan 0.000 0.451 252 K N -0.787 119.583 120.400 -0.050 0.000 2.103 252 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 252 K C 2.369 178.841 176.600 -0.213 0.000 1.048 252 K CA 1.728 57.951 56.287 -0.106 0.000 0.930 252 K CB -0.202 32.258 32.500 -0.065 0.000 0.716 252 K HN 0.466 nan 8.250 nan 0.000 0.444 253 Q N 0.477 120.123 119.800 -0.256 0.000 2.016 253 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 253 Q C 2.210 177.805 176.000 -0.674 0.000 0.978 253 Q CA 1.039 56.551 55.803 -0.484 0.000 0.833 253 Q CB -0.330 28.115 28.738 -0.489 0.000 0.895 253 Q HN 0.191 nan 8.270 nan 0.000 0.427 254 L N 1.060 121.945 121.223 -0.563 0.000 1.963 254 L HA -0.234 4.106 4.340 -0.000 0.000 0.220 254 L C 2.363 178.991 176.870 -0.402 0.000 1.076 254 L CA 1.714 56.286 54.840 -0.446 0.000 0.772 254 L CB -1.071 40.824 42.059 -0.273 0.000 0.892 254 L HN 0.219 nan 8.230 nan 0.000 0.435 255 L N -0.548 120.490 121.223 -0.308 0.000 2.197 255 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 255 L C 2.495 179.144 176.870 -0.368 0.000 1.095 255 L CA 1.482 56.151 54.840 -0.286 0.000 0.764 255 L CB -0.949 40.992 42.059 -0.197 0.000 0.897 255 L HN 0.576 nan 8.230 nan 0.000 0.436 256 S N -1.529 113.874 115.700 -0.495 0.000 2.515 256 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 256 S C 1.440 175.582 174.600 -0.764 0.000 0.987 256 S CA 0.507 58.340 58.200 -0.611 0.000 0.936 256 S CB -0.325 62.459 63.200 -0.694 0.000 0.766 256 S HN 0.492 nan 8.310 nan 0.000 0.528 257 Y N 0.895 120.884 120.300 -0.519 0.000 2.467 257 Y HA 0.541 5.091 4.550 -0.000 0.000 0.250 257 Y C 0.571 176.129 175.900 -0.570 0.000 1.155 257 Y CA -0.615 57.144 58.100 -0.568 0.000 1.249 257 Y CB 0.278 38.233 38.460 -0.842 0.000 1.146 257 Y HN 0.188 nan 8.280 nan 0.000 0.524 258 L N 2.568 123.549 121.223 -0.403 0.000 2.334 258 L HA 0.467 4.807 4.340 -0.000 0.000 0.273 258 L C -2.332 174.397 176.870 -0.235 0.000 1.013 258 L CA -2.254 52.379 54.840 -0.345 0.000 0.816 258 L CB 1.995 43.787 42.059 -0.446 0.000 1.278 258 L HN -0.217 nan 8.230 nan 0.000 0.431 259 P HA 0.114 nan 4.420 nan 0.000 0.274 259 P C -0.021 177.248 177.300 -0.051 0.000 1.246 259 P CA -0.372 62.690 63.100 -0.063 0.000 0.795 259 P CB 1.057 32.774 31.700 0.029 0.000 1.006 260 S N 0.217 115.896 115.700 -0.036 0.000 2.474 260 S HA -0.062 4.408 4.470 -0.000 0.000 0.235 260 S C 0.669 175.291 174.600 0.037 0.000 0.997 260 S CA 0.877 59.064 58.200 -0.022 0.000 0.949 260 S CB -0.824 62.357 63.200 -0.031 0.000 0.766 260 S HN 0.761 nan 8.310 nan 0.000 0.517 261 N N -0.642 118.110 118.700 0.087 0.000 3.533 261 N HA 0.082 4.822 4.740 -0.000 0.000 0.229 261 N C -0.266 175.333 175.510 0.148 0.000 1.418 261 N CA -0.514 52.626 53.050 0.150 0.000 0.880 261 N CB -0.012 38.515 38.487 0.067 0.000 1.415 261 N HN -0.103 nan 8.380 nan 0.000 0.491 262 N N -0.113 118.642 118.700 0.090 0.000 2.348 262 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 262 N C 0.763 176.271 175.510 -0.004 0.000 1.019 262 N CA 1.023 54.068 53.050 -0.009 0.000 0.880 262 N CB -0.327 38.069 38.487 -0.152 0.000 0.965 262 N HN 0.513 nan 8.380 nan 0.000 0.437 263 L N 0.090 121.312 121.223 -0.001 0.000 2.362 263 L HA 0.118 4.458 4.340 -0.000 0.000 0.219 263 L C 0.513 177.380 176.870 -0.005 0.000 1.134 263 L CA 0.629 55.463 54.840 -0.010 0.000 0.807 263 L CB -0.552 41.498 42.059 -0.015 0.000 0.927 263 L HN 0.079 nan 8.230 nan 0.000 0.447 264 S N -1.884 113.820 115.700 0.007 0.000 2.689 264 S HA 0.435 4.905 4.470 -0.000 0.000 0.306 264 S C -0.149 174.455 174.600 0.006 0.000 1.104 264 S CA -0.860 57.340 58.200 -0.001 0.000 0.973 264 S CB 2.094 65.287 63.200 -0.011 0.000 1.121 264 S HN 0.049 nan 8.310 nan 0.000 0.523 265 E N 1.876 122.070 120.200 -0.009 0.000 2.250 265 E HA 0.331 4.681 4.350 -0.000 0.000 0.269 265 E C -2.453 174.128 176.600 -0.032 0.000 1.018 265 E CA -2.435 53.960 56.400 -0.008 0.000 0.873 265 E CB 0.685 30.377 29.700 -0.012 0.000 1.134 265 E HN 0.303 nan 8.360 nan 0.000 0.403 266 P HA 0.008 nan 4.420 nan 0.000 0.262 266 P C -2.489 174.728 177.300 -0.138 0.000 1.182 266 P CA -0.833 62.217 63.100 -0.084 0.000 0.761 266 P CB -0.340 31.326 31.700 -0.057 0.000 0.795 267 P HA 0.113 nan 4.420 nan 0.000 0.264 267 P C -0.666 176.397 177.300 -0.395 0.000 1.183 267 P CA 0.386 63.310 63.100 -0.294 0.000 0.763 267 P CB 0.508 32.000 31.700 -0.345 0.000 0.807 268 A N 2.702 125.281 122.820 -0.403 0.000 2.498 268 A HA 0.697 5.017 4.320 -0.000 0.000 0.298 268 A C -1.348 176.021 177.584 -0.358 0.000 1.075 268 A CA -0.505 51.310 52.037 -0.369 0.000 0.714 268 A CB 1.070 19.990 19.000 -0.134 0.000 1.299 268 A HN 0.294 nan 8.150 nan 0.000 0.407 269 F N 2.079 122.012 119.950 -0.027 0.000 2.449 269 F HA 0.317 4.844 4.527 -0.000 0.000 0.329 269 F C -2.052 173.743 175.800 -0.008 0.000 1.245 269 F CA -2.795 55.190 58.000 -0.024 0.000 1.193 269 F CB 0.708 39.687 39.000 -0.035 0.000 1.425 269 F HN 0.275 nan 8.300 nan 0.000 0.544 270 P HA -0.017 nan 4.420 nan 0.000 0.261 270 P C -0.578 176.773 177.300 0.085 0.000 1.173 270 P CA 0.476 63.632 63.100 0.093 0.000 0.760 270 P CB 0.720 32.458 31.700 0.063 0.000 0.783 271 E N 1.285 121.526 120.200 0.069 0.000 2.287 271 E HA 0.293 4.643 4.350 -0.000 0.000 0.274 271 E C -0.708 175.919 176.600 0.044 0.000 0.896 271 E CA -1.002 55.430 56.400 0.053 0.000 0.788 271 E CB 1.325 31.058 29.700 0.056 0.000 1.244 271 E HN 0.284 nan 8.360 nan 0.000 0.408 272 E N 1.665 121.885 120.200 0.034 0.000 2.502 272 E HA 0.108 4.458 4.350 -0.000 0.000 0.261 272 E C -0.677 175.942 176.600 0.031 0.000 0.974 272 E CA 0.439 56.856 56.400 0.029 0.000 0.936 272 E CB 0.908 30.621 29.700 0.022 0.000 0.926 272 E HN 0.596 nan 8.360 nan 0.000 0.459 273 A N 3.942 126.782 122.820 0.032 0.000 2.292 273 A HA 0.095 4.415 4.320 -0.000 0.000 0.319 273 A C -0.088 177.512 177.584 0.028 0.000 1.206 273 A CA -0.725 51.333 52.037 0.035 0.000 0.835 273 A CB 0.837 19.863 19.000 0.043 0.000 1.164 273 A HN 0.623 nan 8.150 nan 0.000 0.505 274 D N 2.899 123.315 120.400 0.026 0.000 2.402 274 D HA -0.021 4.619 4.640 -0.000 0.000 0.268 274 D C 0.008 176.321 176.300 0.022 0.000 1.294 274 D CA 0.337 54.350 54.000 0.021 0.000 0.945 274 D CB 0.301 41.113 40.800 0.020 0.000 1.112 274 D HN 0.481 nan 8.370 nan 0.000 0.517 275 L N 3.252 124.485 121.223 0.017 0.000 2.862 275 L HA 0.278 4.618 4.340 -0.000 0.000 0.240 275 L C 0.898 177.775 176.870 0.012 0.000 1.283 275 L CA -0.449 54.399 54.840 0.014 0.000 1.117 275 L CB -0.445 41.617 42.059 0.006 0.000 1.444 275 L HN 0.316 nan 8.230 nan 0.000 0.456 276 A N -0.008 122.822 122.820 0.016 0.000 2.468 276 A HA 0.743 5.063 4.320 -0.000 0.000 0.270 276 A C -0.181 177.416 177.584 0.020 0.000 1.217 276 A CA -0.406 51.640 52.037 0.014 0.000 0.908 276 A CB 1.322 20.329 19.000 0.012 0.000 1.423 276 A HN -0.011 nan 8.150 nan 0.000 0.459 277 V N 0.457 120.382 119.914 0.017 0.000 2.247 277 V HA 0.456 4.576 4.120 -0.000 0.000 0.262 277 V C 0.527 176.632 176.094 0.018 0.000 1.096 277 V CA -0.044 62.268 62.300 0.019 0.000 0.895 277 V CB -0.968 30.861 31.823 0.011 0.000 1.141 277 V HN 1.013 nan 8.190 nan 0.000 0.478 278 T N -0.049 114.520 114.554 0.024 0.000 2.724 278 T HA 0.022 4.372 4.350 -0.000 0.000 0.324 278 T C 0.766 175.479 174.700 0.023 0.000 1.071 278 T CA 0.430 62.543 62.100 0.021 0.000 1.061 278 T CB 0.612 69.492 68.868 0.020 0.000 0.990 278 T HN 0.534 nan 8.240 nan 0.000 0.543 279 D N 0.557 120.969 120.400 0.020 0.000 2.144 279 D HA -0.028 4.612 4.640 -0.000 0.000 0.200 279 D C 2.079 178.405 176.300 0.045 0.000 0.978 279 D CA 1.109 55.123 54.000 0.023 0.000 0.833 279 D CB -0.205 40.606 40.800 0.019 0.000 0.961 279 D HN 0.704 nan 8.370 nan 0.000 0.470 280 E N 0.433 120.662 120.200 0.049 0.000 2.106 280 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 280 E C 1.469 178.193 176.600 0.207 0.000 0.984 280 E CA 0.661 57.123 56.400 0.102 0.000 0.806 280 E CB -0.145 29.520 29.700 -0.058 0.000 0.750 280 E HN 0.120 nan 8.360 nan 0.000 0.458 281 D N -0.562 119.908 120.400 0.117 0.000 2.309 281 D HA -0.073 4.567 4.640 -0.000 0.000 0.212 281 D C 1.430 177.754 176.300 0.041 0.000 0.968 281 D CA 1.016 55.078 54.000 0.104 0.000 0.882 281 D CB 0.053 40.889 40.800 0.061 0.000 0.918 281 D HN 0.211 nan 8.370 nan 0.000 0.503 282 A N 0.109 122.947 122.820 0.030 0.000 1.997 282 A HA -0.002 4.318 4.320 -0.000 0.000 0.212 282 A C 1.897 179.455 177.584 -0.045 0.000 1.178 282 A CA 0.276 52.300 52.037 -0.022 0.000 0.698 282 A CB -0.167 18.825 19.000 -0.013 0.000 0.842 282 A HN 0.112 nan 8.150 nan 0.000 0.458 283 E N -0.378 119.824 120.200 0.005 0.000 2.333 283 E HA -0.205 4.144 4.350 -0.000 0.000 0.200 283 E C 1.335 177.842 176.600 -0.155 0.000 1.010 283 E CA 0.761 57.142 56.400 -0.031 0.000 0.841 283 E CB -0.176 29.572 29.700 0.080 0.000 0.757 283 E HN 0.424 nan 8.360 nan 0.000 0.508 284 L N 0.871 121.971 121.223 -0.205 0.000 2.162 284 L HA -0.102 4.238 4.340 -0.000 0.000 0.205 284 L C 1.673 178.326 176.870 -0.361 0.000 1.086 284 L CA 1.385 56.033 54.840 -0.320 0.000 0.778 284 L CB -0.242 41.593 42.059 -0.373 0.000 0.928 284 L HN 0.005 nan 8.230 nan 0.000 0.446 285 D N -0.623 119.602 120.400 -0.293 0.000 2.280 285 D HA -0.163 4.477 4.640 -0.000 0.000 0.206 285 D C 1.339 177.517 176.300 -0.203 0.000 0.988 285 D CA 1.870 55.709 54.000 -0.269 0.000 0.886 285 D CB 0.115 40.809 40.800 -0.177 0.000 0.914 285 D HN 0.468 nan 8.370 nan 0.000 0.473 286 T N -2.410 112.044 114.554 -0.167 0.000 3.145 286 T HA 0.140 4.490 4.350 -0.000 0.000 0.281 286 T C 1.594 176.222 174.700 -0.120 0.000 1.003 286 T CA -0.425 61.603 62.100 -0.120 0.000 0.901 286 T CB 0.153 68.974 68.868 -0.078 0.000 1.112 286 T HN -0.080 nan 8.240 nan 0.000 0.535 287 I N 2.826 123.300 120.570 -0.160 0.000 2.252 287 I HA 0.037 4.207 4.170 -0.000 0.000 0.245 287 I C 0.504 176.486 176.117 -0.226 0.000 1.102 287 I CA 0.840 62.053 61.300 -0.145 0.000 1.385 287 I CB 0.043 37.964 38.000 -0.131 0.000 1.064 287 I HN 0.240 nan 8.210 nan 0.000 0.414 288 V N 2.576 122.314 119.914 -0.295 0.000 2.427 288 V HA 0.339 4.459 4.120 -0.000 0.000 0.268 288 V C -1.932 174.069 176.094 -0.155 0.000 1.046 288 V CA -1.728 60.342 62.300 -0.383 0.000 0.970 288 V CB -0.518 31.116 31.823 -0.314 0.000 1.001 288 V HN 0.177 nan 8.190 nan 0.000 0.476 289 P HA 0.208 nan 4.420 nan 0.000 0.271 289 P C -0.249 177.048 177.300 -0.006 0.000 1.244 289 P CA -0.222 62.866 63.100 -0.020 0.000 0.793 289 P CB 1.026 32.740 31.700 0.023 0.000 0.984 290 D N -1.657 118.747 120.400 0.007 0.000 2.323 290 D HA -0.046 4.594 4.640 -0.000 0.000 0.209 290 D C 0.841 177.159 176.300 0.031 0.000 0.973 290 D CA 0.629 54.639 54.000 0.016 0.000 0.874 290 D CB -0.265 40.542 40.800 0.013 0.000 0.930 290 D HN 0.200 nan 8.370 nan 0.000 0.521 291 S N 0.440 116.161 115.700 0.035 0.000 2.423 291 S HA 0.364 4.834 4.470 -0.000 0.000 0.302 291 S C 1.488 176.125 174.600 0.061 0.000 1.143 291 S CA -0.426 57.800 58.200 0.044 0.000 1.080 291 S CB 0.290 63.515 63.200 0.040 0.000 1.081 291 S HN 0.236 nan 8.310 nan 0.000 0.522 292 A N 5.145 128.004 122.820 0.066 0.000 2.204 292 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 292 A C 1.811 179.448 177.584 0.088 0.000 1.165 292 A CA 1.502 53.592 52.037 0.087 0.000 0.671 292 A CB -0.344 18.709 19.000 0.089 0.000 0.792 292 A HN 0.886 nan 8.150 nan 0.000 0.473 293 N N -1.193 117.548 118.700 0.068 0.000 2.250 293 N HA 0.014 4.754 4.740 -0.000 0.000 0.190 293 N C 0.512 176.061 175.510 0.064 0.000 1.116 293 N CA 0.027 53.113 53.050 0.059 0.000 0.881 293 N CB 0.178 38.688 38.487 0.038 0.000 1.006 293 N HN 0.658 nan 8.380 nan 0.000 0.491 294 Q N 2.012 121.858 119.800 0.075 0.000 2.295 294 Q HA 0.234 4.574 4.340 -0.000 0.000 0.259 294 Q C -2.284 173.801 176.000 0.143 0.000 0.976 294 Q CA -1.561 54.293 55.803 0.085 0.000 0.923 294 Q CB 1.308 30.089 28.738 0.070 0.000 1.185 294 Q HN 0.040 nan 8.270 nan 0.000 0.410 295 P HA 0.189 nan 4.420 nan 0.000 0.318 295 P C -1.715 175.774 177.300 0.316 0.000 1.309 295 P CA -0.076 63.125 63.100 0.169 0.000 0.736 295 P CB 0.347 32.069 31.700 0.036 0.000 1.440 296 Y N -4.040 116.274 120.300 0.023 0.000 2.288 296 Y HA 0.254 4.804 4.550 -0.000 0.000 0.319 296 Y C -1.364 174.548 175.900 0.020 0.000 1.349 296 Y CA -1.376 56.736 58.100 0.020 0.000 1.287 296 Y CB -0.851 37.626 38.460 0.029 0.000 1.296 296 Y HN 0.100 nan 8.280 nan 0.000 0.431 297 D N 4.161 124.549 120.400 -0.021 0.000 2.479 297 D HA -0.051 4.589 4.640 -0.000 0.000 0.257 297 D C 0.914 177.182 176.300 -0.054 0.000 1.230 297 D CA 0.558 54.518 54.000 -0.067 0.000 0.912 297 D CB 1.083 41.867 40.800 -0.027 0.000 1.130 297 D HN 0.866 nan 8.370 nan 0.000 0.515 298 M N 4.533 124.055 119.600 -0.128 0.000 2.213 298 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 298 M C 1.334 177.613 176.300 -0.034 0.000 1.062 298 M CA 1.615 56.845 55.300 -0.118 0.000 1.105 298 M CB -0.428 32.075 32.600 -0.162 0.000 1.385 298 M HN 0.474 nan 8.290 nan 0.000 0.417 299 H N -1.254 117.739 119.070 -0.127 0.000 2.431 299 H HA -0.148 4.408 4.556 -0.000 0.000 0.297 299 H C 2.404 177.680 175.328 -0.087 0.000 1.115 299 H CA 1.850 57.828 56.048 -0.117 0.000 1.277 299 H CB -0.803 28.972 29.762 0.021 0.000 1.372 299 H HN 0.460 nan 8.280 nan 0.000 0.516 300 S N -0.501 115.268 115.700 0.115 0.000 2.355 300 S HA -0.105 4.365 4.470 -0.000 0.000 0.222 300 S C 2.235 176.878 174.600 0.072 0.000 1.031 300 S CA 1.111 59.389 58.200 0.129 0.000 0.993 300 S CB -0.349 62.909 63.200 0.096 0.000 0.859 300 S HN 0.234 nan 8.310 nan 0.000 0.453 301 V N 1.845 121.746 119.914 -0.022 0.000 2.759 301 V HA -0.084 4.036 4.120 -0.000 0.000 0.256 301 V C 2.092 177.974 176.094 -0.354 0.000 1.080 301 V CA 1.306 63.551 62.300 -0.092 0.000 1.101 301 V CB -0.737 31.050 31.823 -0.060 0.000 0.698 301 V HN 0.476 nan 8.190 nan 0.000 0.477 302 I N 0.119 120.424 120.570 -0.442 0.000 2.206 302 I HA -0.125 4.045 4.170 -0.000 0.000 0.239 302 I C 2.584 178.550 176.117 -0.252 0.000 1.078 302 I CA 1.251 62.194 61.300 -0.596 0.000 1.367 302 I CB -0.383 37.124 38.000 -0.821 0.000 1.078 302 I HN 0.292 nan 8.210 nan 0.000 0.413 303 E N 0.082 120.220 120.200 -0.103 0.000 2.267 303 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 303 E C 1.544 178.159 176.600 0.024 0.000 0.998 303 E CA 1.124 57.536 56.400 0.020 0.000 0.830 303 E CB -0.280 29.473 29.700 0.089 0.000 0.751 303 E HN 0.586 nan 8.360 nan 0.000 0.491 304 H N -0.880 118.175 119.070 -0.025 0.000 2.556 304 H HA 0.039 4.595 4.556 -0.000 0.000 0.268 304 H C 1.491 176.846 175.328 0.044 0.000 0.996 304 H CA 0.384 56.443 56.048 0.018 0.000 1.157 304 H CB 0.617 30.395 29.762 0.026 0.000 1.355 304 H HN 0.005 nan 8.280 nan 0.000 0.597 305 V N -0.808 119.173 119.914 0.112 0.000 3.371 305 V HA 0.204 4.324 4.120 -0.000 0.000 0.246 305 V C 0.351 176.517 176.094 0.120 0.000 1.303 305 V CA 0.055 62.441 62.300 0.144 0.000 1.156 305 V CB 0.233 32.192 31.823 0.227 0.000 0.929 305 V HN 0.090 nan 8.190 nan 0.000 0.459 306 L N 2.123 123.403 121.223 0.095 0.000 2.439 306 L HA 0.334 4.674 4.340 -0.000 0.000 0.269 306 L C -0.145 176.786 176.870 0.100 0.000 1.179 306 L CA -0.393 54.516 54.840 0.114 0.000 0.828 306 L CB 0.092 42.228 42.059 0.128 0.000 1.106 306 L HN 0.211 nan 8.230 nan 0.000 0.467 307 D N 2.335 122.803 120.400 0.113 0.000 2.493 307 D HA -0.026 4.614 4.640 -0.000 0.000 0.240 307 D C 0.436 176.792 176.300 0.093 0.000 1.142 307 D CA 0.539 54.596 54.000 0.096 0.000 0.872 307 D CB 0.360 41.223 40.800 0.105 0.000 1.173 307 D HN 0.506 nan 8.370 nan 0.000 0.467 308 D N 1.808 122.246 120.400 0.065 0.000 3.059 308 D HA -0.288 4.352 4.640 -0.000 0.000 0.220 308 D C 0.601 176.939 176.300 0.062 0.000 1.169 308 D CA 1.006 55.042 54.000 0.058 0.000 0.902 308 D CB -1.132 39.712 40.800 0.074 0.000 1.116 308 D HN 0.694 nan 8.370 nan 0.000 0.417 309 A N -0.355 122.497 122.820 0.053 0.000 2.790 309 A HA -0.305 4.015 4.320 -0.000 0.000 0.277 309 A C 0.514 178.173 177.584 0.125 0.000 1.435 309 A CA 2.149 54.219 52.037 0.055 0.000 0.877 309 A CB -1.456 17.547 19.000 0.005 0.000 1.007 309 A HN 0.443 nan 8.150 nan 0.000 0.613 310 E N -0.453 119.839 120.200 0.154 0.000 2.129 310 E HA 0.556 4.906 4.350 -0.000 0.000 0.283 310 E C -0.615 176.162 176.600 0.295 0.000 1.080 310 E CA -0.390 56.133 56.400 0.205 0.000 0.867 310 E CB 0.062 29.877 29.700 0.191 0.000 1.056 310 E HN 0.697 nan 8.360 nan 0.000 0.404 311 F N 6.477 126.492 119.950 0.108 0.000 2.477 311 F HA 0.429 4.956 4.527 -0.000 0.000 0.335 311 F C -1.850 174.019 175.800 0.115 0.000 1.130 311 F CA -1.773 56.272 58.000 0.076 0.000 0.948 311 F CB 0.626 39.632 39.000 0.010 0.000 1.154 311 F HN 0.411 nan 8.300 nan 0.000 0.439 312 F N 6.214 125.904 119.950 -0.433 0.000 2.390 312 F HA 0.349 4.876 4.527 -0.000 0.000 0.361 312 F C 0.149 175.366 175.800 -0.972 0.000 1.124 312 F CA -0.304 57.366 58.000 -0.549 0.000 1.149 312 F CB 0.378 39.130 39.000 -0.415 0.000 1.160 312 F HN 0.622 nan 8.300 nan 0.000 0.501 313 E N 3.323 122.846 120.200 -1.127 0.000 2.277 313 E HA 0.416 4.766 4.350 -0.000 0.000 0.274 313 E C -0.749 175.535 176.600 -0.527 0.000 1.022 313 E CA -0.528 55.314 56.400 -0.931 0.000 0.853 313 E CB 1.058 30.380 29.700 -0.630 0.000 1.086 313 E HN 0.627 nan 8.360 nan 0.000 0.397 314 T N 0.966 115.322 114.554 -0.329 0.000 2.876 314 T HA 0.251 4.601 4.350 -0.000 0.000 0.289 314 T C -0.533 174.172 174.700 0.009 0.000 1.014 314 T CA -0.754 61.289 62.100 -0.094 0.000 0.986 314 T CB 1.370 70.182 68.868 -0.093 0.000 1.021 314 T HN 0.657 nan 8.240 nan 0.000 0.458 315 Q N 1.002 120.889 119.800 0.144 0.000 2.447 315 Q HA -0.134 4.206 4.340 -0.000 0.000 0.348 315 Q C -1.994 174.066 176.000 0.098 0.000 1.421 315 Q CA 0.230 56.129 55.803 0.160 0.000 0.978 315 Q CB -1.353 27.538 28.738 0.255 0.000 1.191 315 Q HN 0.630 nan 8.270 nan 0.000 0.371 316 P HA -0.148 nan 4.420 nan 0.000 0.217 316 P C 1.024 178.359 177.300 0.058 0.000 1.151 316 P CA 0.974 64.104 63.100 0.050 0.000 0.828 316 P CB 0.199 31.923 31.700 0.040 0.000 0.788 317 L N -3.268 117.993 121.223 0.063 0.000 2.270 317 L HA 0.085 4.425 4.340 -0.000 0.000 0.210 317 L C 1.071 178.019 176.870 0.129 0.000 1.104 317 L CA 0.097 54.979 54.840 0.070 0.000 0.804 317 L CB -0.552 41.533 42.059 0.042 0.000 0.937 317 L HN -0.060 nan 8.230 nan 0.000 0.450 318 F N 1.729 121.664 119.950 -0.024 0.000 2.420 318 F HA 0.496 5.023 4.527 -0.000 0.000 0.352 318 F C 0.963 176.736 175.800 -0.044 0.000 1.108 318 F CA -1.027 56.954 58.000 -0.031 0.000 1.162 318 F CB 0.572 39.558 39.000 -0.024 0.000 1.118 318 F HN 0.083 nan 8.300 nan 0.000 0.510 319 A N 6.068 128.514 122.820 -0.622 0.000 2.312 319 A HA -0.201 4.119 4.320 -0.000 0.000 0.286 319 A C -1.931 175.467 177.584 -0.309 0.000 1.425 319 A CA 0.439 52.121 52.037 -0.591 0.000 0.748 319 A CB -1.918 16.620 19.000 -0.769 0.000 1.126 319 A HN 0.680 nan 8.150 nan 0.000 0.368 320 P HA -0.165 nan 4.420 nan 0.000 0.229 320 P C 1.270 178.540 177.300 -0.049 0.000 1.150 320 P CA 1.343 64.409 63.100 -0.057 0.000 0.765 320 P CB -0.092 31.621 31.700 0.021 0.000 0.783 321 N N -0.725 117.883 118.700 -0.154 0.000 2.459 321 N HA -0.067 4.673 4.740 -0.000 0.000 0.181 321 N C 0.596 176.066 175.510 -0.067 0.000 1.046 321 N CA 0.610 53.608 53.050 -0.087 0.000 0.904 321 N CB -0.030 38.345 38.487 -0.188 0.000 0.964 321 N HN 0.255 nan 8.380 nan 0.000 0.444 322 I N 0.251 120.767 120.570 -0.090 0.000 2.647 322 I HA 0.347 4.517 4.170 -0.000 0.000 0.295 322 I C -1.423 174.663 176.117 -0.051 0.000 1.078 322 I CA -1.041 60.221 61.300 -0.063 0.000 1.048 322 I CB 2.082 40.038 38.000 -0.073 0.000 1.239 322 I HN -0.186 nan 8.210 nan 0.000 0.421 323 L N 5.928 127.127 121.223 -0.039 0.000 2.313 323 L HA 0.601 4.941 4.340 -0.000 0.000 0.283 323 L C -0.537 176.289 176.870 -0.074 0.000 1.013 323 L CA -0.483 54.333 54.840 -0.040 0.000 0.816 323 L CB 1.793 43.817 42.059 -0.058 0.000 1.236 323 L HN 0.580 nan 8.230 nan 0.000 0.419 324 T N -0.396 114.049 114.554 -0.181 0.000 2.921 324 T HA 0.883 5.233 4.350 -0.000 0.000 0.297 324 T C -0.259 174.041 174.700 -0.667 0.000 1.013 324 T CA -0.489 61.281 62.100 -0.550 0.000 0.990 324 T CB 2.231 70.585 68.868 -0.857 0.000 1.023 324 T HN 0.866 nan 8.240 nan 0.000 0.447 325 G N 1.406 109.806 108.800 -0.666 0.000 2.490 325 G HA2 0.601 4.561 3.960 -0.000 0.000 0.308 325 G HA3 0.601 4.561 3.960 -0.000 0.000 0.308 325 G C -2.243 172.517 174.900 -0.232 0.000 1.286 325 G CA -0.869 43.947 45.100 -0.472 0.000 0.825 325 G HN 0.593 nan 8.290 nan 0.000 0.479 326 F N -0.308 119.680 119.950 0.064 0.000 2.561 326 F HA 0.846 5.373 4.527 -0.000 0.000 0.321 326 F C 0.846 176.505 175.800 -0.236 0.000 1.065 326 F CA 0.340 58.255 58.000 -0.141 0.000 0.934 326 F CB 2.459 41.046 39.000 -0.688 0.000 1.215 326 F HN 0.866 nan 8.300 nan 0.000 0.471 327 G N 1.163 110.012 108.800 0.081 0.000 2.976 327 G HA2 0.763 4.723 3.960 -0.000 0.000 0.276 327 G HA3 0.763 4.723 3.960 -0.000 0.000 0.276 327 G C -1.514 173.527 174.900 0.235 0.000 1.207 327 G CA -0.884 44.315 45.100 0.165 0.000 0.803 327 G HN 0.453 nan 8.290 nan 0.000 0.572 328 R N -1.539 119.102 120.500 0.235 0.000 2.680 328 R HA 0.594 4.934 4.340 -0.000 0.000 0.269 328 R C -2.039 174.357 176.300 0.160 0.000 1.026 328 R CA -0.624 55.602 56.100 0.210 0.000 0.889 328 R CB 2.616 33.046 30.300 0.217 0.000 1.241 328 R HN 0.360 nan 8.270 nan 0.000 0.463 329 V N 2.063 122.057 119.914 0.134 0.000 2.509 329 V HA 0.197 4.317 4.120 -0.000 0.000 0.289 329 V C -0.063 176.086 176.094 0.091 0.000 1.026 329 V CA -0.512 61.855 62.300 0.113 0.000 0.872 329 V CB 1.337 33.229 31.823 0.114 0.000 1.017 329 V HN 0.938 nan 8.190 nan 0.000 0.436 330 E N 3.346 123.596 120.200 0.083 0.000 2.553 330 E HA -0.263 4.087 4.350 -0.000 0.000 0.264 330 E C 1.296 177.940 176.600 0.073 0.000 1.068 330 E CA 0.755 57.198 56.400 0.070 0.000 0.774 330 E CB -1.099 28.636 29.700 0.058 0.000 1.349 330 E HN 1.575 nan 8.360 nan 0.000 0.404 331 G N 0.077 108.929 108.800 0.087 0.000 2.304 331 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.252 331 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.252 331 G C 0.293 175.214 174.900 0.035 0.000 1.014 331 G CA 0.558 45.712 45.100 0.089 0.000 0.619 331 G HN 0.260 nan 8.290 nan 0.000 0.525 332 R N 1.547 122.072 120.500 0.042 0.000 2.202 332 R HA 0.402 4.742 4.340 -0.000 0.000 0.334 332 R C -2.540 173.800 176.300 0.067 0.000 1.036 332 R CA -1.763 54.351 56.100 0.024 0.000 0.878 332 R CB 0.908 31.225 30.300 0.028 0.000 1.067 332 R HN 0.152 nan 8.270 nan 0.000 0.457 333 P HA -0.104 nan 4.420 nan 0.000 0.265 333 P C -0.465 176.943 177.300 0.181 0.000 1.187 333 P CA 0.092 63.292 63.100 0.167 0.000 0.766 333 P CB 0.671 32.440 31.700 0.115 0.000 0.820 334 V N 0.056 120.120 119.914 0.250 0.000 3.167 334 V HA 0.969 5.089 4.120 -0.000 0.000 0.310 334 V C -0.319 175.976 176.094 0.336 0.000 1.207 334 V CA -0.963 61.481 62.300 0.240 0.000 1.059 334 V CB 1.895 33.828 31.823 0.183 0.000 1.079 334 V HN 0.587 nan 8.190 nan 0.000 0.446 335 G N 0.812 109.756 108.800 0.241 0.000 2.461 335 G HA2 0.731 4.691 3.960 -0.000 0.000 0.323 335 G HA3 0.731 4.691 3.960 -0.000 0.000 0.323 335 G C -1.485 173.566 174.900 0.251 0.000 1.229 335 G CA -0.696 44.516 45.100 0.188 0.000 0.941 335 G HN 0.730 nan 8.290 nan 0.000 0.477 336 I N 1.103 121.866 120.570 0.321 0.000 2.436 336 I HA 0.439 4.609 4.170 -0.000 0.000 0.289 336 I C -0.366 175.880 176.117 0.215 0.000 1.010 336 I CA -0.971 60.484 61.300 0.258 0.000 1.098 336 I CB 2.230 40.334 38.000 0.174 0.000 1.266 336 I HN 0.157 nan 8.210 nan 0.000 0.434 337 V N 5.131 125.171 119.914 0.210 0.000 2.482 337 V HA 0.925 5.045 4.120 -0.000 0.000 0.295 337 V C -0.248 175.932 176.094 0.142 0.000 1.026 337 V CA -0.434 61.963 62.300 0.162 0.000 0.856 337 V CB 1.333 33.315 31.823 0.265 0.000 1.001 337 V HN 0.906 nan 8.190 nan 0.000 0.424 338 A N 3.966 126.831 122.820 0.075 0.000 2.572 338 A HA 0.719 5.039 4.320 -0.000 0.000 0.295 338 A C -0.734 176.852 177.584 0.002 0.000 1.072 338 A CA -0.819 51.259 52.037 0.067 0.000 0.691 338 A CB 1.344 20.392 19.000 0.080 0.000 1.291 338 A HN 0.751 nan 8.150 nan 0.000 0.404 339 N N 0.383 119.077 118.700 -0.009 0.000 2.530 339 N HA 0.377 5.117 4.740 -0.000 0.000 0.273 339 N C -0.320 175.151 175.510 -0.065 0.000 1.173 339 N CA 0.099 53.126 53.050 -0.037 0.000 0.967 339 N CB 0.676 39.139 38.487 -0.040 0.000 1.109 339 N HN 0.585 nan 8.380 nan 0.000 0.453 340 Q N 3.598 123.366 119.800 -0.053 0.000 2.560 340 Q HA 0.346 4.686 4.340 -0.000 0.000 0.238 340 Q C -2.374 173.583 176.000 -0.072 0.000 1.079 340 Q CA -1.972 53.795 55.803 -0.060 0.000 0.866 340 Q CB 1.377 30.122 28.738 0.012 0.000 1.153 340 Q HN 0.344 nan 8.270 nan 0.000 0.530 341 P HA -0.135 nan 4.420 nan 0.000 0.226 341 P C 0.706 177.963 177.300 -0.072 0.000 1.146 341 P CA 1.129 64.159 63.100 -0.116 0.000 0.773 341 P CB 0.182 31.755 31.700 -0.211 0.000 0.772 342 M N -1.564 117.984 119.600 -0.087 0.000 2.630 342 M HA -0.022 4.458 4.480 -0.000 0.000 0.254 342 M C 0.332 176.640 176.300 0.013 0.000 1.092 342 M CA 1.391 56.665 55.300 -0.043 0.000 1.087 342 M CB -0.271 32.295 32.600 -0.057 0.000 1.453 342 M HN 0.074 nan 8.290 nan 0.000 0.509 343 Q N -0.424 119.421 119.800 0.076 0.000 2.269 343 Q HA 0.216 4.556 4.340 -0.000 0.000 0.263 343 Q C -0.719 175.525 176.000 0.407 0.000 0.983 343 Q CA -0.376 55.566 55.803 0.232 0.000 0.777 343 Q CB 1.852 30.766 28.738 0.294 0.000 1.273 343 Q HN 0.290 nan 8.270 nan 0.000 0.440 344 F N 0.859 120.794 119.950 -0.026 0.000 3.048 344 F HA -0.374 4.153 4.527 -0.000 0.000 0.287 344 F C 0.975 176.766 175.800 -0.016 0.000 0.796 344 F CA 1.007 58.995 58.000 -0.019 0.000 1.111 344 F CB -2.253 36.732 39.000 -0.023 0.000 1.320 344 F HN 0.850 nan 8.300 nan 0.000 0.430 345 A N -1.674 121.209 122.820 0.105 0.000 3.172 345 A HA 0.206 4.526 4.320 -0.000 0.000 0.263 345 A C 2.273 179.897 177.584 0.066 0.000 1.215 345 A CA 1.586 53.664 52.037 0.069 0.000 1.065 345 A CB -1.842 17.197 19.000 0.065 0.000 1.148 345 A HN 2.572 nan 8.150 nan 0.000 0.904 346 G N -2.603 106.243 108.800 0.076 0.000 2.212 346 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.255 346 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.255 346 G C 0.437 175.342 174.900 0.008 0.000 1.062 346 G CA 0.521 45.636 45.100 0.024 0.000 0.815 346 G HN 1.681 nan 8.290 nan 0.000 0.497 347 C N -0.276 119.047 119.300 0.038 0.000 2.595 347 C HA 0.632 5.092 4.460 -0.000 0.000 0.384 347 C C 1.211 176.167 174.990 -0.056 0.000 1.289 347 C CA -0.416 58.606 59.018 0.006 0.000 2.372 347 C CB 0.488 28.273 27.740 0.075 0.000 2.593 347 C HN 0.534 nan 8.230 nan 0.000 0.639 348 L N 4.036 125.195 121.223 -0.107 0.000 2.295 348 L HA 0.483 4.823 4.340 -0.000 0.000 0.285 348 L C 0.014 176.927 176.870 0.071 0.000 1.035 348 L CA 0.182 54.964 54.840 -0.098 0.000 0.806 348 L CB 0.860 42.710 42.059 -0.349 0.000 1.214 348 L HN 0.808 nan 8.230 nan 0.000 0.426 349 D N 2.401 122.835 120.400 0.056 0.000 3.009 349 D HA 0.270 4.910 4.640 -0.000 0.000 0.318 349 D C 0.971 177.304 176.300 0.055 0.000 1.273 349 D CA -0.588 53.457 54.000 0.075 0.000 1.001 349 D CB 1.048 41.838 40.800 -0.017 0.000 1.411 349 D HN 0.225 nan 8.370 nan 0.000 0.577 350 I N 0.415 121.001 120.570 0.027 0.000 2.133 350 I HA -0.228 3.942 4.170 -0.000 0.000 0.238 350 I C 2.641 178.758 176.117 -0.000 0.000 1.074 350 I CA 2.255 63.574 61.300 0.032 0.000 1.342 350 I CB -0.683 37.341 38.000 0.039 0.000 1.053 350 I HN 0.557 nan 8.210 nan 0.000 0.404 351 T N -0.138 114.368 114.554 -0.080 0.000 2.759 351 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 351 T C 1.955 176.466 174.700 -0.316 0.000 1.042 351 T CA 1.202 63.160 62.100 -0.236 0.000 1.140 351 T CB -0.587 67.945 68.868 -0.561 0.000 0.864 351 T HN 0.378 nan 8.240 nan 0.000 0.455 352 A N 1.548 124.226 122.820 -0.236 0.000 1.873 352 A HA 0.044 4.364 4.320 -0.000 0.000 0.215 352 A C 2.750 180.307 177.584 -0.045 0.000 1.186 352 A CA 1.769 53.703 52.037 -0.170 0.000 0.616 352 A CB -1.154 17.763 19.000 -0.138 0.000 0.823 352 A HN 0.502 nan 8.150 nan 0.000 0.442 353 S N -0.150 115.557 115.700 0.011 0.000 2.359 353 S HA -0.214 4.256 4.470 -0.000 0.000 0.223 353 S C 1.903 176.547 174.600 0.073 0.000 1.039 353 S CA 1.803 60.043 58.200 0.067 0.000 1.042 353 S CB -0.385 62.876 63.200 0.103 0.000 0.915 353 S HN 0.692 nan 8.310 nan 0.000 0.439 354 E N 0.721 120.971 120.200 0.083 0.000 2.110 354 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 354 E C 2.185 178.881 176.600 0.161 0.000 0.988 354 E CA 0.852 57.325 56.400 0.120 0.000 0.804 354 E CB -0.115 29.676 29.700 0.152 0.000 0.745 354 E HN 0.416 nan 8.360 nan 0.000 0.458 355 K N 0.964 121.465 120.400 0.169 0.000 2.002 355 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 355 K C 2.176 178.872 176.600 0.160 0.000 1.048 355 K CA 1.373 57.786 56.287 0.210 0.000 0.930 355 K CB -0.129 32.429 32.500 0.097 0.000 0.714 355 K HN 0.077 nan 8.250 nan 0.000 0.438 356 A N 1.044 123.920 122.820 0.093 0.000 1.873 356 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 356 A C 2.369 180.009 177.584 0.093 0.000 1.186 356 A CA 1.782 53.877 52.037 0.097 0.000 0.616 356 A CB -0.935 18.101 19.000 0.060 0.000 0.823 356 A HN 0.506 nan 8.150 nan 0.000 0.442 357 A N -0.480 122.370 122.820 0.050 0.000 1.892 357 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 357 A C 2.297 179.908 177.584 0.045 0.000 1.188 357 A CA 1.850 53.893 52.037 0.011 0.000 0.631 357 A CB -0.579 18.449 19.000 0.047 0.000 0.822 357 A HN 0.426 nan 8.150 nan 0.000 0.447 358 R N -1.994 118.568 120.500 0.102 0.000 2.148 358 R HA -0.110 4.230 4.340 -0.000 0.000 0.227 358 R C 1.884 178.261 176.300 0.129 0.000 1.103 358 R CA 1.471 57.634 56.100 0.104 0.000 0.983 358 R CB -0.456 29.922 30.300 0.130 0.000 0.874 358 R HN 0.616 nan 8.270 nan 0.000 0.451 359 F N 0.616 120.579 119.950 0.021 0.000 2.053 359 F HA -0.156 4.371 4.527 -0.000 0.000 0.292 359 F C 2.180 177.983 175.800 0.005 0.000 1.125 359 F CA 1.192 59.213 58.000 0.035 0.000 1.193 359 F CB -0.713 38.312 39.000 0.041 0.000 0.996 359 F HN -0.296 nan 8.300 nan 0.000 0.470 360 V N 1.461 121.372 119.914 -0.005 0.000 2.313 360 V HA -0.380 3.740 4.120 -0.000 0.000 0.253 360 V C 2.528 178.521 176.094 -0.168 0.000 1.070 360 V CA 2.437 64.623 62.300 -0.190 0.000 1.057 360 V CB -0.854 30.744 31.823 -0.376 0.000 0.653 360 V HN 0.338 nan 8.190 nan 0.000 0.450 361 R N -0.729 119.715 120.500 -0.094 0.000 2.148 361 R HA -0.079 4.261 4.340 -0.000 0.000 0.223 361 R C 2.288 178.566 176.300 -0.036 0.000 1.088 361 R CA 1.531 57.602 56.100 -0.048 0.000 0.985 361 R CB -0.420 29.882 30.300 0.002 0.000 0.880 361 R HN 0.504 nan 8.270 nan 0.000 0.451 362 T N -0.321 114.205 114.554 -0.047 0.000 3.023 362 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 362 T C 1.782 176.569 174.700 0.145 0.000 1.093 362 T CA 0.657 62.789 62.100 0.053 0.000 1.129 362 T CB -0.018 68.833 68.868 -0.029 0.000 0.899 362 T HN 0.325 nan 8.240 nan 0.000 0.491 363 C N 1.022 120.280 119.300 -0.069 0.000 2.492 363 C HA 0.049 4.509 4.460 -0.000 0.000 0.279 363 C C 2.580 177.596 174.990 0.043 0.000 1.335 363 C CA 0.118 59.132 59.018 -0.006 0.000 1.734 363 C CB -0.598 27.011 27.740 -0.218 0.000 2.027 363 C HN 0.610 nan 8.230 nan 0.000 0.496 364 D N 1.129 121.518 120.400 -0.017 0.000 2.178 364 D HA -0.053 4.587 4.640 -0.000 0.000 0.202 364 D C 2.119 178.395 176.300 -0.041 0.000 0.974 364 D CA 1.441 55.429 54.000 -0.021 0.000 0.841 364 D CB -0.053 40.722 40.800 -0.041 0.000 0.953 364 D HN 0.377 nan 8.370 nan 0.000 0.478 365 A N -0.503 122.270 122.820 -0.079 0.000 1.898 365 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 365 A C 1.292 178.656 177.584 -0.365 0.000 1.181 365 A CA 0.809 52.685 52.037 -0.269 0.000 0.620 365 A CB -0.675 18.073 19.000 -0.420 0.000 0.819 365 A HN 0.305 nan 8.150 nan 0.000 0.442 366 F N 0.094 120.036 119.950 -0.014 0.000 2.925 366 F HA 0.252 4.779 4.527 -0.000 0.000 0.302 366 F C 0.295 176.087 175.800 -0.013 0.000 1.189 366 F CA -0.395 57.597 58.000 -0.013 0.000 1.346 366 F CB -0.938 38.057 39.000 -0.008 0.000 0.954 366 F HN 0.260 nan 8.300 nan 0.000 0.506 367 N N -0.242 118.518 118.700 0.101 0.000 2.714 367 N HA -0.173 4.567 4.740 -0.000 0.000 0.252 367 N C -1.118 174.438 175.510 0.076 0.000 1.014 367 N CA 0.119 53.207 53.050 0.063 0.000 0.735 367 N CB -1.134 37.378 38.487 0.041 0.000 0.924 367 N HN 0.089 nan 8.380 nan 0.000 0.540 368 V N 0.161 120.135 119.914 0.099 0.000 2.417 368 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 368 V C -1.825 174.325 176.094 0.093 0.000 1.024 368 V CA -1.740 60.629 62.300 0.116 0.000 0.861 368 V CB 1.852 33.794 31.823 0.198 0.000 0.985 368 V HN -0.034 nan 8.190 nan 0.000 0.436 369 P HA 0.121 nan 4.420 nan 0.000 0.269 369 P C -0.833 176.517 177.300 0.085 0.000 1.215 369 P CA 0.003 63.146 63.100 0.072 0.000 0.780 369 P CB 0.544 32.286 31.700 0.069 0.000 0.898 370 V N 3.954 123.909 119.914 0.069 0.000 2.325 370 V HA 0.224 4.344 4.120 -0.000 0.000 0.280 370 V C 0.074 176.207 176.094 0.065 0.000 1.016 370 V CA -0.424 61.929 62.300 0.090 0.000 0.818 370 V CB 0.604 32.491 31.823 0.107 0.000 1.019 370 V HN 0.360 nan 8.190 nan 0.000 0.434 371 L N 4.164 125.429 121.223 0.069 0.000 2.319 371 L HA 0.509 4.849 4.340 -0.000 0.000 0.280 371 L C 0.506 177.329 176.870 -0.078 0.000 1.099 371 L CA 0.330 55.145 54.840 -0.042 0.000 0.828 371 L CB 1.256 43.352 42.059 0.062 0.000 1.150 371 L HN 0.642 nan 8.230 nan 0.000 0.442 372 T N 3.320 117.692 114.554 -0.302 0.000 2.841 372 T HA 0.610 4.960 4.350 -0.000 0.000 0.285 372 T C -0.928 173.452 174.700 -0.533 0.000 0.991 372 T CA -0.368 61.597 62.100 -0.226 0.000 0.966 372 T CB 0.498 69.297 68.868 -0.114 0.000 0.962 372 T HN 0.210 nan 8.240 nan 0.000 0.438 373 F N 4.139 124.031 119.950 -0.098 0.000 2.449 373 F HA 0.602 5.129 4.527 -0.000 0.000 0.342 373 F C -0.009 175.696 175.800 -0.158 0.000 1.127 373 F CA -0.907 56.998 58.000 -0.159 0.000 0.975 373 F CB 1.934 40.837 39.000 -0.161 0.000 1.146 373 F HN 0.290 nan 8.300 nan 0.000 0.444 374 V N 2.115 121.985 119.914 -0.074 0.000 2.547 374 V HA 0.550 4.670 4.120 -0.000 0.000 0.299 374 V C -0.808 175.236 176.094 -0.083 0.000 1.040 374 V CA -0.521 61.729 62.300 -0.084 0.000 0.913 374 V CB 1.797 33.549 31.823 -0.118 0.000 0.992 374 V HN 0.701 nan 8.190 nan 0.000 0.449 375 D N 2.715 123.084 120.400 -0.052 0.000 2.881 375 D HA 0.220 4.860 4.640 -0.000 0.000 0.238 375 D C -1.613 174.681 176.300 -0.010 0.000 1.368 375 D CA 0.024 54.011 54.000 -0.021 0.000 0.871 375 D CB 1.390 42.210 40.800 0.034 0.000 1.516 375 D HN 0.399 nan 8.370 nan 0.000 0.544 376 V N 4.137 124.039 119.914 -0.020 0.000 2.638 376 V HA 0.620 4.740 4.120 -0.000 0.000 0.306 376 V C -1.907 174.245 176.094 0.097 0.000 1.052 376 V CA -1.960 60.341 62.300 0.002 0.000 0.885 376 V CB 2.653 34.432 31.823 -0.072 0.000 0.999 376 V HN 0.114 nan 8.190 nan 0.000 0.424 377 P HA 0.278 nan 4.420 nan 0.000 0.219 377 P C 0.559 178.042 177.300 0.305 0.000 1.154 377 P CA 1.613 64.961 63.100 0.413 0.000 0.826 377 P CB 0.802 32.625 31.700 0.205 0.000 0.795 378 G N -1.277 107.573 108.800 0.084 0.000 2.360 378 G HA2 0.339 4.299 3.960 -0.000 0.000 0.276 378 G HA3 0.339 4.299 3.960 -0.000 0.000 0.276 378 G C -1.714 173.093 174.900 -0.155 0.000 1.256 378 G CA -0.797 44.302 45.100 -0.002 0.000 0.890 378 G HN -0.043 nan 8.290 nan 0.000 0.486 379 F N 0.372 120.370 119.950 0.080 0.000 2.379 379 F HA 0.583 5.110 4.527 -0.000 0.000 0.332 379 F C 0.909 176.739 175.800 0.049 0.000 1.096 379 F CA -0.587 57.448 58.000 0.058 0.000 1.105 379 F CB 1.708 40.738 39.000 0.050 0.000 1.189 379 F HN 0.353 nan 8.300 nan 0.000 0.515 380 L N 5.433 126.784 121.223 0.212 0.000 2.530 380 L HA 0.275 4.615 4.340 -0.000 0.000 0.273 380 L C -2.319 174.625 176.870 0.124 0.000 1.141 380 L CA -1.477 53.447 54.840 0.140 0.000 0.905 380 L CB 0.079 42.201 42.059 0.105 0.000 1.202 380 L HN 0.350 nan 8.230 nan 0.000 0.473 381 P HA 0.379 nan 4.420 nan 0.000 0.268 381 P C -0.651 176.674 177.300 0.042 0.000 1.205 381 P CA -0.209 62.930 63.100 0.065 0.000 0.771 381 P CB 1.072 32.803 31.700 0.052 0.000 0.858 382 G N 0.410 109.219 108.800 0.015 0.000 2.318 382 G HA2 0.174 4.134 3.960 -0.000 0.000 0.306 382 G HA3 0.174 4.134 3.960 -0.000 0.000 0.306 382 G C 0.226 175.091 174.900 -0.058 0.000 1.696 382 G CA -0.655 44.438 45.100 -0.011 0.000 0.905 382 G HN 0.240 nan 8.290 nan 0.000 0.700 383 V N 1.724 121.575 119.914 -0.105 0.000 2.427 383 V HA -0.093 4.027 4.120 -0.000 0.000 0.248 383 V C 2.623 178.522 176.094 -0.324 0.000 1.051 383 V CA 2.488 64.646 62.300 -0.236 0.000 1.048 383 V CB -0.357 31.319 31.823 -0.246 0.000 0.666 383 V HN 0.871 nan 8.190 nan 0.000 0.456 384 D N -0.617 119.683 120.400 -0.167 0.000 2.178 384 D HA -0.219 4.421 4.640 -0.000 0.000 0.201 384 D C 1.922 178.205 176.300 -0.030 0.000 0.980 384 D CA 0.868 54.813 54.000 -0.091 0.000 0.842 384 D CB -0.260 40.525 40.800 -0.025 0.000 0.948 384 D HN 0.414 nan 8.370 nan 0.000 0.472 385 Q N 0.630 120.414 119.800 -0.027 0.000 1.967 385 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 385 Q C 2.182 178.198 176.000 0.026 0.000 0.985 385 Q CA 1.036 56.845 55.803 0.010 0.000 0.839 385 Q CB -0.249 28.499 28.738 0.016 0.000 0.906 385 Q HN 0.389 nan 8.270 nan 0.000 0.423 386 E N 0.313 120.519 120.200 0.011 0.000 2.086 386 E HA -0.209 4.141 4.350 -0.000 0.000 0.200 386 E C 1.922 178.637 176.600 0.192 0.000 1.012 386 E CA 1.376 57.821 56.400 0.075 0.000 0.812 386 E CB -0.354 29.395 29.700 0.080 0.000 0.743 386 E HN 0.463 nan 8.360 nan 0.000 0.453 387 H N 0.537 119.608 119.070 0.003 0.000 2.462 387 H HA -0.028 4.528 4.556 -0.000 0.000 0.292 387 H C 1.468 176.800 175.328 0.006 0.000 1.049 387 H CA 0.983 57.033 56.048 0.004 0.000 1.334 387 H CB -0.123 29.642 29.762 0.006 0.000 1.404 387 H HN 0.143 nan 8.280 nan 0.000 0.544 388 D N -0.650 119.830 120.400 0.133 0.000 2.317 388 D HA 0.087 4.727 4.640 -0.000 0.000 0.211 388 D C 1.041 177.375 176.300 0.057 0.000 0.966 388 D CA 1.098 55.145 54.000 0.080 0.000 0.876 388 D CB 0.268 41.106 40.800 0.063 0.000 0.927 388 D HN 0.506 nan 8.370 nan 0.000 0.519 389 G N 1.195 110.028 108.800 0.055 0.000 2.455 389 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.169 389 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.169 389 G C 0.710 175.624 174.900 0.022 0.000 1.074 389 G CA 0.041 45.161 45.100 0.032 0.000 0.796 389 G HN 0.221 nan 8.290 nan 0.000 0.489 390 I N 0.299 120.880 120.570 0.018 0.000 2.394 390 I HA 0.046 4.216 4.170 -0.000 0.000 0.251 390 I C 2.444 178.545 176.117 -0.027 0.000 1.136 390 I CA 1.317 62.620 61.300 0.004 0.000 1.425 390 I CB -0.191 37.802 38.000 -0.010 0.000 1.079 390 I HN 0.502 nan 8.210 nan 0.000 0.425 391 I N 0.947 121.497 120.570 -0.034 0.000 2.226 391 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 391 I C 2.454 178.557 176.117 -0.024 0.000 1.100 391 I CA 1.812 63.084 61.300 -0.046 0.000 1.374 391 I CB -0.412 37.567 38.000 -0.035 0.000 1.057 391 I HN 0.330 nan 8.210 nan 0.000 0.413 392 R N 0.469 120.961 120.500 -0.012 0.000 2.290 392 R HA 0.111 4.451 4.340 -0.000 0.000 0.197 392 R C 1.906 178.203 176.300 -0.006 0.000 0.913 392 R CA 0.169 56.261 56.100 -0.013 0.000 1.040 392 R CB -0.083 30.206 30.300 -0.018 0.000 0.992 392 R HN 0.257 nan 8.270 nan 0.000 0.500 393 R N 0.473 120.979 120.500 0.010 0.000 2.206 393 R HA 0.169 4.509 4.340 -0.000 0.000 0.198 393 R C 2.111 178.439 176.300 0.048 0.000 0.986 393 R CA 0.795 56.911 56.100 0.026 0.000 1.029 393 R CB 0.221 30.542 30.300 0.036 0.000 0.966 393 R HN 0.333 nan 8.270 nan 0.000 0.487 394 G N 0.720 109.552 108.800 0.053 0.000 2.494 394 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.216 394 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.216 394 G C 1.414 176.381 174.900 0.112 0.000 1.140 394 G CA 0.492 45.652 45.100 0.100 0.000 0.801 394 G HN 0.311 nan 8.290 nan 0.000 0.536 395 A N 0.727 123.588 122.820 0.069 0.000 2.216 395 A HA 0.097 4.417 4.320 -0.000 0.000 0.214 395 A C 2.147 179.802 177.584 0.117 0.000 1.160 395 A CA 1.363 53.454 52.037 0.090 0.000 0.725 395 A CB -0.249 18.783 19.000 0.054 0.000 0.784 395 A HN 0.390 nan 8.150 nan 0.000 0.472 396 K N -0.543 119.907 120.400 0.084 0.000 2.211 396 K HA 0.065 4.385 4.320 -0.000 0.000 0.203 396 K C 1.669 178.350 176.600 0.134 0.000 1.050 396 K CA 0.797 57.133 56.287 0.082 0.000 0.945 396 K CB -0.195 32.329 32.500 0.040 0.000 0.732 396 K HN 0.474 nan 8.250 nan 0.000 0.451 397 L N 0.947 122.250 121.223 0.135 0.000 2.179 397 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 397 L C 2.236 179.224 176.870 0.197 0.000 1.096 397 L CA 0.771 55.685 54.840 0.124 0.000 0.779 397 L CB 0.006 42.162 42.059 0.161 0.000 0.922 397 L HN 0.220 nan 8.230 nan 0.000 0.443 398 I N -1.525 119.184 120.570 0.232 0.000 2.500 398 I HA -0.287 3.883 4.170 -0.000 0.000 0.252 398 I C 2.242 178.484 176.117 0.209 0.000 1.142 398 I CA 0.936 62.379 61.300 0.238 0.000 1.451 398 I CB 0.066 38.176 38.000 0.183 0.000 1.093 398 I HN 0.142 nan 8.210 nan 0.000 0.430 399 F N 1.512 121.501 119.950 0.065 0.000 2.234 399 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 399 F C 2.324 178.136 175.800 0.019 0.000 1.087 399 F CA 1.425 59.448 58.000 0.039 0.000 1.340 399 F CB -0.172 38.845 39.000 0.027 0.000 1.031 399 F HN 0.107 nan 8.300 nan 0.000 0.500 400 A N -0.759 122.174 122.820 0.188 0.000 1.898 400 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 400 A C 1.877 179.411 177.584 -0.082 0.000 1.181 400 A CA 1.496 53.547 52.037 0.023 0.000 0.620 400 A CB -1.245 17.706 19.000 -0.082 0.000 0.819 400 A HN 0.481 nan 8.150 nan 0.000 0.442 401 Y N -0.222 120.081 120.300 0.006 0.000 2.184 401 Y HA 0.048 4.598 4.550 -0.000 0.000 0.290 401 Y C 2.936 178.786 175.900 -0.082 0.000 1.129 401 Y CA 0.494 58.572 58.100 -0.036 0.000 1.144 401 Y CB -0.785 37.653 38.460 -0.035 0.000 0.995 401 Y HN 0.312 nan 8.280 nan 0.000 0.513 402 A N 0.247 123.101 122.820 0.056 0.000 1.851 402 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 402 A C 2.228 179.736 177.584 -0.127 0.000 1.195 402 A CA 1.975 53.976 52.037 -0.060 0.000 0.622 402 A CB -0.971 17.959 19.000 -0.117 0.000 0.831 402 A HN 0.535 nan 8.150 nan 0.000 0.444 403 E N 0.529 120.585 120.200 -0.239 0.000 2.130 403 E HA -0.075 4.275 4.350 -0.000 0.000 0.196 403 E C 1.149 177.678 176.600 -0.118 0.000 0.998 403 E CA 0.661 56.913 56.400 -0.246 0.000 0.806 403 E CB -0.421 29.074 29.700 -0.340 0.000 0.738 403 E HN 0.586 nan 8.360 nan 0.000 0.459 404 A N 0.086 122.865 122.820 -0.068 0.000 2.536 404 A HA 0.036 4.356 4.320 -0.000 0.000 0.234 404 A C 1.030 178.597 177.584 -0.030 0.000 1.076 404 A CA 1.035 53.052 52.037 -0.034 0.000 0.769 404 A CB 0.179 19.182 19.000 0.005 0.000 1.020 404 A HN 0.486 nan 8.150 nan 0.000 0.508 405 T N -2.487 112.053 114.554 -0.023 0.000 3.092 405 T HA 0.290 4.640 4.350 -0.000 0.000 0.273 405 T C 0.449 175.143 174.700 -0.010 0.000 0.898 405 T CA 0.497 62.584 62.100 -0.022 0.000 0.868 405 T CB -1.405 67.445 68.868 -0.029 0.000 1.228 405 T HN 1.181 nan 8.240 nan 0.000 0.555 406 V N 0.243 120.156 119.914 -0.002 0.000 3.432 406 V HA 0.380 4.500 4.120 -0.000 0.000 0.304 406 V C -2.634 173.467 176.094 0.011 0.000 1.107 406 V CA -2.111 60.194 62.300 0.009 0.000 1.153 406 V CB -0.603 31.232 31.823 0.020 0.000 1.072 406 V HN 0.011 nan 8.190 nan 0.000 0.485 407 P HA 0.261 nan 4.420 nan 0.000 0.262 407 P C -0.743 176.562 177.300 0.010 0.000 1.199 407 P CA 0.409 63.515 63.100 0.010 0.000 0.763 407 P CB 0.093 31.802 31.700 0.016 0.000 0.790 408 L N 5.513 126.731 121.223 -0.008 0.000 2.276 408 L HA 0.476 4.816 4.340 -0.000 0.000 0.286 408 L C 0.126 176.958 176.870 -0.065 0.000 1.024 408 L CA -0.323 54.505 54.840 -0.021 0.000 0.826 408 L CB 0.796 42.841 42.059 -0.024 0.000 1.211 408 L HN 0.253 nan 8.230 nan 0.000 0.422 409 I N 2.909 123.428 120.570 -0.085 0.000 2.382 409 I HA 0.284 4.454 4.170 -0.000 0.000 0.285 409 I C -0.331 175.644 176.117 -0.237 0.000 1.007 409 I CA -0.160 61.062 61.300 -0.130 0.000 1.142 409 I CB 2.005 39.946 38.000 -0.098 0.000 1.289 409 I HN 0.520 nan 8.210 nan 0.000 0.453 410 T N 5.677 120.082 114.554 -0.250 0.000 2.771 410 T HA 0.448 4.798 4.350 -0.000 0.000 0.281 410 T C -0.196 174.309 174.700 -0.325 0.000 0.982 410 T CA -0.509 61.399 62.100 -0.320 0.000 0.978 410 T CB 1.951 70.645 68.868 -0.290 0.000 0.930 410 T HN 0.134 nan 8.240 nan 0.000 0.447 411 V N 5.050 124.697 119.914 -0.445 0.000 2.378 411 V HA 0.419 4.539 4.120 -0.000 0.000 0.288 411 V C -0.123 175.754 176.094 -0.362 0.000 1.016 411 V CA -0.800 61.269 62.300 -0.385 0.000 0.840 411 V CB 1.106 32.697 31.823 -0.386 0.000 0.994 411 V HN 0.823 nan 8.190 nan 0.000 0.431 412 I N 4.916 125.276 120.570 -0.351 0.000 2.304 412 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 412 I C 1.360 177.163 176.117 -0.523 0.000 1.018 412 I CA -0.047 61.060 61.300 -0.322 0.000 1.260 412 I CB 1.695 39.576 38.000 -0.198 0.000 1.390 412 I HN 0.763 nan 8.210 nan 0.000 0.475 413 T N 1.999 116.221 114.554 -0.553 0.000 3.014 413 T HA 0.265 4.615 4.350 -0.000 0.000 0.250 413 T C 0.986 175.584 174.700 -0.171 0.000 1.060 413 T CA 0.054 61.735 62.100 -0.698 0.000 1.040 413 T CB 0.489 68.816 68.868 -0.902 0.000 0.971 413 T HN 0.652 nan 8.240 nan 0.000 0.497 414 R N 0.494 120.928 120.500 -0.110 0.000 3.511 414 R HA 0.375 4.715 4.340 -0.000 0.000 0.092 414 R C -1.227 175.021 176.300 -0.086 0.000 0.597 414 R CA -0.424 55.663 56.100 -0.022 0.000 0.434 414 R CB 0.115 30.473 30.300 0.096 0.000 0.490 414 R HN 0.008 nan 8.270 nan 0.000 0.332 415 K N 0.611 120.983 120.400 -0.047 0.000 2.270 415 K HA 0.573 4.893 4.320 -0.000 0.000 0.276 415 K C -1.195 175.217 176.600 -0.314 0.000 1.023 415 K CA 0.477 56.663 56.287 -0.170 0.000 0.955 415 K CB 1.592 34.171 32.500 0.132 0.000 0.975 415 K HN 0.464 nan 8.250 nan 0.000 0.471 416 A N 3.788 126.174 122.820 -0.723 0.000 2.664 416 A HA 0.386 4.706 4.320 -0.000 0.000 0.300 416 A C -1.573 175.646 177.584 -0.610 0.000 1.210 416 A CA -0.766 51.014 52.037 -0.428 0.000 0.863 416 A CB 0.012 18.869 19.000 -0.238 0.000 1.464 416 A HN 0.509 nan 8.150 nan 0.000 0.438 417 F N 1.232 121.219 119.950 0.061 0.000 2.495 417 F HA 0.694 5.221 4.527 -0.000 0.000 0.327 417 F C 1.279 177.155 175.800 0.126 0.000 1.103 417 F CA 0.402 58.445 58.000 0.073 0.000 0.949 417 F CB 1.857 40.895 39.000 0.063 0.000 1.142 417 F HN 1.113 nan 8.300 nan 0.000 0.457 418 G N 1.920 110.911 108.800 0.318 0.000 2.627 418 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.312 418 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.312 418 G C 1.344 176.434 174.900 0.316 0.000 1.299 418 G CA 0.358 45.628 45.100 0.285 0.000 0.989 418 G HN 1.261 nan 8.290 nan 0.000 0.547 419 G N -0.177 108.835 108.800 0.353 0.000 2.469 419 G HA2 0.121 4.081 3.960 -0.000 0.000 0.220 419 G HA3 0.121 4.081 3.960 -0.000 0.000 0.220 419 G C 2.191 177.321 174.900 0.384 0.000 1.136 419 G CA 3.151 48.496 45.100 0.409 0.000 0.759 419 G HN 1.889 nan 8.290 nan 0.000 0.562 420 A N 0.227 123.178 122.820 0.219 0.000 1.908 420 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 420 A C 2.162 179.746 177.584 -0.000 0.000 1.181 420 A CA 1.890 53.820 52.037 -0.179 0.000 0.627 420 A CB -0.741 18.051 19.000 -0.347 0.000 0.818 420 A HN 0.589 nan 8.150 nan 0.000 0.445 421 Y N 0.878 121.168 120.300 -0.018 0.000 2.053 421 Y HA -0.273 4.277 4.550 -0.000 0.000 0.277 421 Y C 1.972 177.864 175.900 -0.014 0.000 1.159 421 Y CA 1.874 59.951 58.100 -0.038 0.000 1.125 421 Y CB -0.593 37.860 38.460 -0.010 0.000 0.969 421 Y HN 0.286 nan 8.280 nan 0.000 0.492 422 I N -0.649 119.752 120.570 -0.282 0.000 2.118 422 I HA -0.366 3.804 4.170 -0.000 0.000 0.241 422 I C 2.372 178.359 176.117 -0.217 0.000 1.070 422 I CA 1.649 62.751 61.300 -0.330 0.000 1.327 422 I CB -0.945 37.029 38.000 -0.044 0.000 1.034 422 I HN 0.165 nan 8.210 nan 0.000 0.405 423 V N 0.455 120.345 119.914 -0.040 0.000 2.231 423 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 423 V C 1.600 177.654 176.094 -0.067 0.000 1.058 423 V CA 1.456 63.781 62.300 0.041 0.000 1.022 423 V CB -0.558 31.348 31.823 0.138 0.000 0.640 423 V HN 0.403 nan 8.190 nan 0.000 0.445 424 M N 0.998 120.491 119.600 -0.178 0.000 3.102 424 M HA 0.154 4.634 4.480 -0.000 0.000 0.269 424 M C 1.318 177.224 176.300 -0.656 0.000 1.551 424 M CA 0.739 55.850 55.300 -0.314 0.000 1.629 424 M CB -1.280 31.202 32.600 -0.197 0.000 1.324 424 M HN 0.538 nan 8.290 nan 0.000 0.509 425 G N 2.847 110.868 108.800 -1.299 0.000 2.450 425 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.302 425 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.302 425 G C 0.668 175.210 174.900 -0.595 0.000 0.957 425 G CA 0.706 45.129 45.100 -1.128 0.000 1.005 425 G HN 0.825 nan 8.290 nan 0.000 0.514 426 S N -1.223 114.149 115.700 -0.547 0.000 2.592 426 S HA 0.263 4.733 4.470 -0.000 0.000 0.256 426 S C 1.601 175.906 174.600 -0.493 0.000 1.369 426 S CA 0.716 58.564 58.200 -0.586 0.000 0.984 426 S CB 0.955 63.711 63.200 -0.739 0.000 0.919 426 S HN 0.672 nan 8.310 nan 0.000 0.576 427 K N 0.361 120.387 120.400 -0.624 0.000 2.365 427 K HA -0.055 4.265 4.320 -0.000 0.000 0.199 427 K C 1.525 177.782 176.600 -0.572 0.000 1.045 427 K CA 1.479 57.438 56.287 -0.547 0.000 0.962 427 K CB -0.472 31.735 32.500 -0.487 0.000 0.759 427 K HN 0.788 nan 8.250 nan 0.000 0.469 428 H N -0.569 118.353 119.070 -0.247 0.000 2.535 428 H HA 0.066 4.622 4.556 -0.000 0.000 0.273 428 H C 0.768 175.999 175.328 -0.161 0.000 0.983 428 H CA 0.546 56.465 56.048 -0.215 0.000 1.238 428 H CB 0.289 29.899 29.762 -0.253 0.000 1.412 428 H HN 0.095 nan 8.280 nan 0.000 0.562 429 L N 0.004 121.158 121.223 -0.115 0.000 2.592 429 L HA 0.203 4.543 4.340 -0.000 0.000 0.227 429 L C 1.572 178.392 176.870 -0.083 0.000 1.127 429 L CA 0.945 55.736 54.840 -0.082 0.000 0.884 429 L CB -0.005 42.001 42.059 -0.087 0.000 1.065 429 L HN 0.520 nan 8.230 nan 0.000 0.457 430 G N -1.729 107.005 108.800 -0.111 0.000 2.184 430 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.206 430 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.206 430 G C 0.630 175.471 174.900 -0.097 0.000 0.995 430 G CA -0.061 44.986 45.100 -0.090 0.000 0.651 430 G HN 0.608 nan 8.290 nan 0.000 0.511 431 A N 0.393 123.129 122.820 -0.140 0.000 2.555 431 A HA 0.445 4.765 4.320 -0.000 0.000 0.233 431 A C 1.299 178.817 177.584 -0.111 0.000 1.060 431 A CA 1.219 53.174 52.037 -0.138 0.000 0.759 431 A CB 0.261 19.134 19.000 -0.212 0.000 0.995 431 A HN 0.268 nan 8.150 nan 0.000 0.506 432 D N 0.226 120.578 120.400 -0.081 0.000 2.144 432 D HA 0.050 4.690 4.640 -0.000 0.000 0.207 432 D C -0.220 176.047 176.300 -0.054 0.000 0.970 432 D CA 1.302 55.268 54.000 -0.057 0.000 0.853 432 D CB 0.000 40.779 40.800 -0.035 0.000 1.007 432 D HN 0.293 nan 8.370 nan 0.000 0.469 433 L N 1.593 122.780 121.223 -0.059 0.000 2.372 433 L HA 0.279 4.619 4.340 -0.000 0.000 0.273 433 L C -1.238 175.582 176.870 -0.083 0.000 0.989 433 L CA -0.447 54.366 54.840 -0.044 0.000 0.841 433 L CB 1.584 43.638 42.059 -0.008 0.000 1.225 433 L HN -0.220 nan 8.230 nan 0.000 0.414 434 N N 4.779 123.428 118.700 -0.086 0.000 2.446 434 N HA 0.671 5.411 4.740 -0.000 0.000 0.265 434 N C -1.162 174.293 175.510 -0.091 0.000 0.975 434 N CA -0.580 52.401 53.050 -0.114 0.000 0.928 434 N CB 1.662 40.077 38.487 -0.120 0.000 1.160 434 N HN 0.183 nan 8.380 nan 0.000 0.495 435 L N 1.043 122.195 121.223 -0.119 0.000 2.322 435 L HA 0.932 5.272 4.340 -0.000 0.000 0.269 435 L C 0.021 176.813 176.870 -0.131 0.000 1.012 435 L CA -1.262 53.510 54.840 -0.115 0.000 0.815 435 L CB 1.039 43.021 42.059 -0.128 0.000 1.295 435 L HN 0.594 nan 8.230 nan 0.000 0.438 436 A N 0.794 123.558 122.820 -0.093 0.000 2.465 436 A HA 0.624 4.944 4.320 -0.000 0.000 0.292 436 A C -1.443 176.165 177.584 0.041 0.000 1.041 436 A CA -0.628 51.339 52.037 -0.116 0.000 0.718 436 A CB 0.746 19.659 19.000 -0.146 0.000 1.266 436 A HN 0.492 nan 8.150 nan 0.000 0.403 437 W N 2.106 123.337 121.300 -0.115 0.000 2.093 437 W HA 0.389 5.049 4.660 -0.000 0.000 0.352 437 W C -2.041 174.402 176.519 -0.126 0.000 1.294 437 W CA -1.775 55.508 57.345 -0.102 0.000 1.290 437 W CB -0.426 28.992 29.460 -0.070 0.000 1.149 437 W HN 0.491 nan 8.180 nan 0.000 0.606 438 P HA -0.101 nan 4.420 nan 0.000 0.230 438 P C 1.094 178.452 177.300 0.097 0.000 1.158 438 P CA 1.712 64.865 63.100 0.087 0.000 0.769 438 P CB -0.010 31.786 31.700 0.160 0.000 0.807 439 T N -3.401 111.235 114.554 0.136 0.000 3.330 439 T HA 0.559 4.909 4.350 -0.000 0.000 0.249 439 T C 0.409 175.148 174.700 0.064 0.000 0.980 439 T CA -0.602 61.562 62.100 0.107 0.000 0.920 439 T CB -0.739 68.207 68.868 0.128 0.000 1.065 439 T HN -0.051 nan 8.240 nan 0.000 0.588 440 A N 1.050 123.874 122.820 0.006 0.000 2.350 440 A HA 0.731 5.051 4.320 -0.000 0.000 0.324 440 A C -0.491 177.028 177.584 -0.109 0.000 1.118 440 A CA -1.016 50.976 52.037 -0.075 0.000 0.783 440 A CB 1.365 20.287 19.000 -0.128 0.000 1.236 440 A HN 0.498 nan 8.150 nan 0.000 0.457 441 Q N 1.320 121.016 119.800 -0.173 0.000 2.394 441 Q HA 0.518 4.858 4.340 -0.000 0.000 0.259 441 Q C -1.236 174.499 176.000 -0.441 0.000 1.021 441 Q CA 0.231 55.909 55.803 -0.209 0.000 0.805 441 Q CB 1.602 30.300 28.738 -0.067 0.000 1.226 441 Q HN 0.663 nan 8.270 nan 0.000 0.476 442 I N 2.490 122.869 120.570 -0.319 0.000 2.337 442 I HA 0.690 4.860 4.170 -0.000 0.000 0.285 442 I C -0.401 175.553 176.117 -0.270 0.000 1.041 442 I CA -0.424 60.641 61.300 -0.391 0.000 1.199 442 I CB 0.919 38.693 38.000 -0.378 0.000 1.370 442 I HN 0.547 nan 8.210 nan 0.000 0.470 443 A N 4.370 127.077 122.820 -0.187 0.000 2.594 443 A HA 0.419 4.739 4.320 -0.000 0.000 0.295 443 A C 0.330 178.018 177.584 0.174 0.000 1.071 443 A CA -0.457 51.601 52.037 0.035 0.000 0.685 443 A CB 1.570 20.669 19.000 0.166 0.000 1.285 443 A HN 0.362 nan 8.150 nan 0.000 0.405 444 V N 1.266 121.274 119.914 0.158 0.000 2.546 444 V HA 0.021 4.141 4.120 -0.000 0.000 0.254 444 V C 0.612 176.850 176.094 0.240 0.000 1.076 444 V CA 3.024 65.432 62.300 0.180 0.000 1.087 444 V CB -0.848 31.059 31.823 0.141 0.000 0.674 444 V HN 1.220 nan 8.190 nan 0.000 0.470 445 M N -2.074 117.701 119.600 0.292 0.000 2.569 445 M HA 0.531 5.011 4.480 -0.000 0.000 0.287 445 M C -0.193 176.191 176.300 0.140 0.000 1.130 445 M CA -0.125 55.294 55.300 0.197 0.000 0.885 445 M CB 0.795 33.451 32.600 0.093 0.000 1.759 445 M HN 0.040 nan 8.290 nan 0.000 0.515 446 G N 1.210 109.858 108.800 -0.252 0.000 2.568 446 G HA2 0.352 4.312 3.960 -0.000 0.000 0.231 446 G HA3 0.352 4.312 3.960 -0.000 0.000 0.231 446 G C 0.888 175.782 174.900 -0.010 0.000 1.261 446 G CA 0.091 45.007 45.100 -0.307 0.000 0.855 446 G HN 1.226 nan 8.290 nan 0.000 0.576 447 A N 1.127 124.029 122.820 0.136 0.000 2.032 447 A HA -0.159 4.161 4.320 -0.000 0.000 0.221 447 A C 2.204 179.721 177.584 -0.112 0.000 1.165 447 A CA 2.331 54.438 52.037 0.117 0.000 0.645 447 A CB -0.490 18.687 19.000 0.294 0.000 0.807 447 A HN 0.762 nan 8.150 nan 0.000 0.453 448 Q N -0.328 119.426 119.800 -0.077 0.000 1.715 448 Q HA -0.043 4.297 4.340 -0.000 0.000 0.372 448 Q C 2.041 177.976 176.000 -0.108 0.000 0.998 448 Q CA 2.469 58.223 55.803 -0.083 0.000 0.894 448 Q CB -1.228 27.463 28.738 -0.079 0.000 0.947 448 Q HN 0.413 nan 8.270 nan 0.000 0.407 449 G N -0.325 108.415 108.800 -0.100 0.000 2.499 449 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.221 449 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.221 449 G C 1.333 176.154 174.900 -0.130 0.000 1.109 449 G CA 1.264 46.310 45.100 -0.091 0.000 0.749 449 G HN 0.579 nan 8.290 nan 0.000 0.568 450 A N 0.810 123.510 122.820 -0.200 0.000 1.832 450 A HA 0.021 4.341 4.320 -0.000 0.000 0.214 450 A C 2.766 180.108 177.584 -0.404 0.000 1.200 450 A CA 2.762 54.600 52.037 -0.332 0.000 0.610 450 A CB -1.135 17.511 19.000 -0.590 0.000 0.842 450 A HN 0.951 nan 8.150 nan 0.000 0.444 451 V N -0.529 119.122 119.914 -0.438 0.000 2.439 451 V HA -0.331 3.789 4.120 -0.000 0.000 0.253 451 V C 1.837 177.883 176.094 -0.081 0.000 1.074 451 V CA 2.639 64.838 62.300 -0.169 0.000 1.076 451 V CB -1.548 30.288 31.823 0.022 0.000 0.664 451 V HN 0.498 nan 8.190 nan 0.000 0.461 452 N N 1.663 120.305 118.700 -0.097 0.000 2.009 452 N HA -0.069 4.671 4.740 -0.000 0.000 0.195 452 N C 1.740 177.200 175.510 -0.084 0.000 1.076 452 N CA 2.465 55.479 53.050 -0.060 0.000 0.863 452 N CB -0.754 37.699 38.487 -0.057 0.000 1.062 452 N HN 0.564 nan 8.380 nan 0.000 0.425 453 I N 0.519 121.031 120.570 -0.097 0.000 2.229 453 I HA -0.310 3.860 4.170 -0.000 0.000 0.250 453 I C 1.933 177.971 176.117 -0.131 0.000 1.096 453 I CA 1.100 62.346 61.300 -0.091 0.000 1.358 453 I CB -0.523 37.430 38.000 -0.079 0.000 1.047 453 I HN 0.120 nan 8.210 nan 0.000 0.422 454 L N -0.069 121.013 121.223 -0.234 0.000 1.982 454 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 454 L C 1.898 178.541 176.870 -0.379 0.000 1.078 454 L CA 1.170 55.781 54.840 -0.381 0.000 0.749 454 L CB -0.636 41.027 42.059 -0.660 0.000 0.894 454 L HN 0.334 nan 8.230 nan 0.000 0.436 455 H N -0.117 118.923 119.070 -0.049 0.000 2.660 455 H HA 0.117 4.673 4.556 -0.000 0.000 0.310 455 H C 1.448 176.759 175.328 -0.029 0.000 1.080 455 H CA -0.098 55.931 56.048 -0.031 0.000 1.145 455 H CB -0.110 29.633 29.762 -0.031 0.000 1.432 455 H HN 0.258 nan 8.280 nan 0.000 0.542 456 R N 1.384 121.895 120.500 0.018 0.000 2.127 456 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 456 R C 2.052 178.364 176.300 0.021 0.000 1.134 456 R CA 1.156 57.262 56.100 0.010 0.000 0.975 456 R CB 0.139 30.430 30.300 -0.015 0.000 0.865 456 R HN 0.298 nan 8.270 nan 0.000 0.447 457 R N -0.943 119.573 120.500 0.027 0.000 2.087 457 R HA 0.018 4.358 4.340 -0.000 0.000 0.216 457 R C 1.824 178.145 176.300 0.035 0.000 1.114 457 R CA 1.347 57.462 56.100 0.025 0.000 1.002 457 R CB -0.050 30.262 30.300 0.019 0.000 0.903 457 R HN 0.086 nan 8.270 nan 0.000 0.445 458 T N 1.408 115.998 114.554 0.059 0.000 2.897 458 T HA -0.143 4.207 4.350 -0.000 0.000 0.271 458 T C 1.557 176.277 174.700 0.033 0.000 1.084 458 T CA 1.067 63.200 62.100 0.053 0.000 1.123 458 T CB -0.133 68.786 68.868 0.085 0.000 0.865 458 T HN 0.154 nan 8.240 nan 0.000 0.496 459 I N 1.240 121.835 120.570 0.042 0.000 2.500 459 I HA 0.100 4.270 4.170 -0.000 0.000 0.252 459 I C 2.424 178.548 176.117 0.012 0.000 1.142 459 I CA 0.387 61.700 61.300 0.022 0.000 1.451 459 I CB -0.504 37.514 38.000 0.029 0.000 1.093 459 I HN 0.170 nan 8.210 nan 0.000 0.430 460 A N -0.500 122.329 122.820 0.014 0.000 1.898 460 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 460 A C 0.940 178.528 177.584 0.006 0.000 1.181 460 A CA 0.945 52.987 52.037 0.008 0.000 0.620 460 A CB -1.082 17.923 19.000 0.008 0.000 0.819 460 A HN 0.455 nan 8.150 nan 0.000 0.442 461 D N -0.101 120.304 120.400 0.007 0.000 2.533 461 D HA 0.378 5.018 4.640 -0.000 0.000 0.236 461 D C 0.437 176.737 176.300 0.001 0.000 1.137 461 D CA 1.488 55.491 54.000 0.005 0.000 0.867 461 D CB 0.090 40.894 40.800 0.006 0.000 1.170 461 D HN 0.869 nan 8.370 nan 0.000 0.474 462 A N 2.542 125.362 122.820 0.000 0.000 1.701 462 A HA -0.035 4.285 4.320 -0.000 0.000 0.223 462 A C 1.639 179.222 177.584 -0.002 0.000 1.303 462 A CA 0.518 52.554 52.037 -0.002 0.000 0.689 462 A CB -1.436 17.562 19.000 -0.003 0.000 1.177 462 A HN 0.838 nan 8.150 nan 0.000 0.227 463 G N 1.532 110.331 108.800 -0.001 0.000 2.470 463 G HA2 0.102 4.062 3.960 -0.000 0.000 0.220 463 G HA3 0.102 4.062 3.960 -0.000 0.000 0.220 463 G C 0.334 175.232 174.900 -0.003 0.000 1.121 463 G CA 0.977 46.076 45.100 -0.002 0.000 0.766 463 G HN 0.912 nan 8.290 nan 0.000 0.553 464 D N 1.324 121.722 120.400 -0.003 0.000 2.455 464 D HA 0.236 4.876 4.640 -0.000 0.000 0.241 464 D C 0.298 176.594 176.300 -0.005 0.000 1.138 464 D CA 0.510 54.508 54.000 -0.004 0.000 0.877 464 D CB 0.447 41.245 40.800 -0.004 0.000 1.187 464 D HN 0.215 nan 8.370 nan 0.000 0.451 465 D N 1.386 121.782 120.400 -0.006 0.000 2.870 465 D HA -0.279 4.361 4.640 -0.000 0.000 0.228 465 D C 1.152 177.447 176.300 -0.008 0.000 1.147 465 D CA 0.730 54.725 54.000 -0.008 0.000 0.757 465 D CB -1.322 39.472 40.800 -0.009 0.000 1.091 465 D HN 0.491 nan 8.370 nan 0.000 0.429 466 A N 0.344 123.161 122.820 -0.006 0.000 2.009 466 A HA -0.260 4.060 4.320 -0.000 0.000 0.222 466 A C 1.872 179.452 177.584 -0.008 0.000 1.175 466 A CA 1.671 53.705 52.037 -0.006 0.000 0.651 466 A CB 0.047 19.044 19.000 -0.004 0.000 0.815 466 A HN 0.292 nan 8.150 nan 0.000 0.459 467 E N -1.720 118.475 120.200 -0.008 0.000 2.583 467 E HA 0.374 4.724 4.350 -0.000 0.000 0.213 467 E C 1.239 177.833 176.600 -0.010 0.000 0.989 467 E CA 0.687 57.082 56.400 -0.009 0.000 0.991 467 E CB 0.240 29.936 29.700 -0.007 0.000 1.040 467 E HN 0.560 nan 8.360 nan 0.000 0.481 468 A N 0.952 123.765 122.820 -0.012 0.000 2.252 468 A HA 0.026 4.346 4.320 -0.000 0.000 0.213 468 A C 1.944 179.517 177.584 -0.019 0.000 1.188 468 A CA 0.936 52.965 52.037 -0.013 0.000 0.863 468 A CB -0.104 18.889 19.000 -0.010 0.000 0.893 468 A HN 0.166 nan 8.150 nan 0.000 0.495 469 T N -3.300 111.240 114.554 -0.024 0.000 3.023 469 T HA 0.176 4.526 4.350 -0.000 0.000 0.253 469 T C 1.535 176.205 174.700 -0.050 0.000 1.038 469 T CA 0.495 62.572 62.100 -0.038 0.000 0.962 469 T CB 0.191 69.038 68.868 -0.034 0.000 1.018 469 T HN 0.367 nan 8.240 nan 0.000 0.521 470 R N 2.081 122.562 120.500 -0.033 0.000 2.039 470 R HA 0.517 4.857 4.340 -0.000 0.000 0.218 470 R C 2.560 178.845 176.300 -0.024 0.000 1.220 470 R CA 1.207 57.290 56.100 -0.028 0.000 0.993 470 R CB -1.089 29.203 30.300 -0.014 0.000 0.881 470 R HN 0.181 nan 8.270 nan 0.000 0.450 471 A N 0.985 123.796 122.820 -0.014 0.000 2.076 471 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 471 A C 2.197 179.777 177.584 -0.006 0.000 1.160 471 A CA 1.406 53.440 52.037 -0.006 0.000 0.653 471 A CB -0.613 18.385 19.000 -0.003 0.000 0.801 471 A HN 0.397 nan 8.150 nan 0.000 0.455 472 R N -0.935 119.554 120.500 -0.018 0.000 2.080 472 R HA 0.052 4.392 4.340 -0.000 0.000 0.222 472 R C 1.816 178.098 176.300 -0.030 0.000 1.107 472 R CA 0.689 56.777 56.100 -0.020 0.000 0.980 472 R CB -0.215 30.068 30.300 -0.027 0.000 0.879 472 R HN 0.418 nan 8.270 nan 0.000 0.439 473 L N 1.262 122.444 121.223 -0.068 0.000 2.056 473 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 473 L C 2.337 179.197 176.870 -0.017 0.000 1.078 473 L CA 1.498 56.264 54.840 -0.125 0.000 0.749 473 L CB -0.863 41.012 42.059 -0.307 0.000 0.901 473 L HN 0.268 nan 8.230 nan 0.000 0.433 474 I N -0.311 120.264 120.570 0.008 0.000 2.185 474 I HA -0.383 3.787 4.170 -0.000 0.000 0.246 474 I C 2.704 178.890 176.117 0.116 0.000 1.088 474 I CA 1.488 62.825 61.300 0.061 0.000 1.347 474 I CB -0.384 37.634 38.000 0.029 0.000 1.041 474 I HN 0.460 nan 8.210 nan 0.000 0.415 475 Q N 1.600 121.443 119.800 0.072 0.000 2.050 475 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 475 Q C 1.807 177.861 176.000 0.090 0.000 0.980 475 Q CA 1.760 57.606 55.803 0.072 0.000 0.840 475 Q CB -0.251 28.510 28.738 0.039 0.000 0.898 475 Q HN 0.573 nan 8.270 nan 0.000 0.424 476 E N -0.627 119.622 120.200 0.082 0.000 2.267 476 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 476 E C 1.685 178.368 176.600 0.139 0.000 0.998 476 E CA 0.931 57.381 56.400 0.083 0.000 0.830 476 E CB -0.223 29.510 29.700 0.055 0.000 0.751 476 E HN 0.464 nan 8.360 nan 0.000 0.491 477 Y N 2.202 122.533 120.300 0.051 0.000 2.144 477 Y HA -0.188 4.362 4.550 -0.000 0.000 0.279 477 Y C 2.661 178.600 175.900 0.065 0.000 1.099 477 Y CA 1.852 59.996 58.100 0.073 0.000 1.087 477 Y CB 0.043 38.558 38.460 0.092 0.000 1.007 477 Y HN -0.019 nan 8.280 nan 0.000 0.482 478 E N -0.433 119.876 120.200 0.182 0.000 2.147 478 E HA -0.294 4.056 4.350 -0.000 0.000 0.199 478 E C 1.169 177.793 176.600 0.039 0.000 1.005 478 E CA 1.906 58.364 56.400 0.096 0.000 0.810 478 E CB -0.627 29.155 29.700 0.136 0.000 0.736 478 E HN 0.495 nan 8.360 nan 0.000 0.460 479 D N 0.227 120.653 120.400 0.044 0.000 2.363 479 D HA 0.092 4.732 4.640 -0.000 0.000 0.226 479 D C 1.094 177.393 176.300 -0.003 0.000 1.020 479 D CA 1.067 55.082 54.000 0.024 0.000 0.892 479 D CB 0.444 41.260 40.800 0.027 0.000 0.900 479 D HN 0.385 nan 8.370 nan 0.000 0.531 480 A N -1.175 121.624 122.820 -0.035 0.000 2.340 480 A HA 0.336 4.656 4.320 -0.000 0.000 0.213 480 A C 1.378 178.891 177.584 -0.118 0.000 1.299 480 A CA -0.062 51.938 52.037 -0.061 0.000 0.994 480 A CB 0.530 19.504 19.000 -0.044 0.000 1.132 480 A HN 0.187 nan 8.150 nan 0.000 0.519 481 L N -1.887 119.219 121.223 -0.196 0.000 3.048 481 L HA 0.317 4.657 4.340 -0.000 0.000 0.278 481 L C 0.130 176.911 176.870 -0.150 0.000 1.057 481 L CA -0.043 54.656 54.840 -0.236 0.000 1.073 481 L CB 0.301 42.070 42.059 -0.484 0.000 1.802 481 L HN 0.162 nan 8.230 nan 0.000 0.562 482 L N 3.838 125.002 121.223 -0.098 0.000 2.436 482 L HA 0.181 4.521 4.340 -0.000 0.000 0.244 482 L C 0.017 176.902 176.870 0.025 0.000 1.396 482 L CA 0.400 55.257 54.840 0.028 0.000 1.217 482 L CB -1.291 40.852 42.059 0.141 0.000 1.420 482 L HN 0.411 nan 8.230 nan 0.000 0.434 483 N N 0.420 119.111 118.700 -0.016 0.000 3.277 483 N HA 0.434 5.174 4.740 -0.000 0.000 0.278 483 N C -2.944 172.502 175.510 -0.107 0.000 1.544 483 N CA -1.063 51.983 53.050 -0.007 0.000 0.869 483 N CB 1.319 39.888 38.487 0.136 0.000 1.584 483 N HN -0.205 nan 8.380 nan 0.000 0.564 484 P HA 0.183 nan 4.420 nan 0.000 0.267 484 P C 0.301 177.387 177.300 -0.356 0.000 1.289 484 P CA 0.404 63.308 63.100 -0.327 0.000 0.866 484 P CB -0.025 31.439 31.700 -0.393 0.000 1.309 485 Y N 0.202 120.464 120.300 -0.063 0.000 2.616 485 Y HA -0.019 4.531 4.550 -0.000 0.000 0.296 485 Y C 2.395 178.246 175.900 -0.082 0.000 1.154 485 Y CA 1.143 59.207 58.100 -0.061 0.000 1.325 485 Y CB -1.137 37.294 38.460 -0.047 0.000 1.007 485 Y HN -0.044 nan 8.280 nan 0.000 0.542 486 T N -0.585 113.966 114.554 -0.004 0.000 2.814 486 T HA -0.060 4.290 4.350 -0.000 0.000 0.254 486 T C 2.341 176.954 174.700 -0.145 0.000 1.037 486 T CA 1.098 63.157 62.100 -0.067 0.000 1.143 486 T CB -0.532 68.278 68.868 -0.097 0.000 0.866 486 T HN 0.372 nan 8.240 nan 0.000 0.431 487 A N 1.826 124.535 122.820 -0.185 0.000 1.883 487 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 487 A C 2.636 180.115 177.584 -0.176 0.000 1.186 487 A CA 2.043 53.927 52.037 -0.256 0.000 0.624 487 A CB -1.257 17.673 19.000 -0.116 0.000 0.822 487 A HN 0.507 nan 8.150 nan 0.000 0.444 488 A N -0.497 122.262 122.820 -0.102 0.000 1.986 488 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 488 A C 1.880 179.443 177.584 -0.035 0.000 1.171 488 A CA 1.947 53.955 52.037 -0.050 0.000 0.640 488 A CB -0.545 18.433 19.000 -0.036 0.000 0.811 488 A HN 0.677 nan 8.150 nan 0.000 0.451 489 E N -0.910 119.256 120.200 -0.057 0.000 2.150 489 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 489 E C 2.130 178.684 176.600 -0.077 0.000 0.985 489 E CA 0.964 57.334 56.400 -0.050 0.000 0.814 489 E CB -0.026 29.640 29.700 -0.056 0.000 0.752 489 E HN 0.606 nan 8.360 nan 0.000 0.466 490 R N -1.371 119.031 120.500 -0.162 0.000 2.290 490 R HA 0.150 4.490 4.340 -0.000 0.000 0.197 490 R C 1.139 177.423 176.300 -0.027 0.000 0.913 490 R CA 0.589 56.585 56.100 -0.174 0.000 1.040 490 R CB 0.884 30.888 30.300 -0.493 0.000 0.992 490 R HN 0.210 nan 8.270 nan 0.000 0.500 491 G N 0.383 109.183 108.800 -0.001 0.000 2.159 491 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.227 491 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.227 491 G C 0.567 175.602 174.900 0.226 0.000 0.986 491 G CA -0.063 45.096 45.100 0.097 0.000 0.651 491 G HN 0.463 nan 8.290 nan 0.000 0.523 492 Y N 0.077 120.397 120.300 0.034 0.000 2.465 492 Y HA 0.080 4.630 4.550 -0.000 0.000 0.289 492 Y C 1.556 177.440 175.900 -0.027 0.000 1.150 492 Y CA 0.977 59.099 58.100 0.037 0.000 1.293 492 Y CB 0.175 38.745 38.460 0.184 0.000 0.977 492 Y HN 0.472 nan 8.280 nan 0.000 0.556 493 V N -3.142 116.847 119.914 0.124 0.000 2.638 493 V HA 0.236 4.356 4.120 -0.000 0.000 0.306 493 V C -0.659 175.443 176.094 0.014 0.000 1.052 493 V CA -1.085 61.232 62.300 0.028 0.000 0.885 493 V CB 1.809 33.623 31.823 -0.015 0.000 0.999 493 V HN 0.023 nan 8.190 nan 0.000 0.424 494 D N 3.053 123.455 120.400 0.002 0.000 2.234 494 D HA 0.446 5.086 4.640 -0.000 0.000 0.205 494 D C 0.764 177.075 176.300 0.019 0.000 0.962 494 D CA 1.456 55.466 54.000 0.016 0.000 0.855 494 D CB 0.220 41.030 40.800 0.017 0.000 0.951 494 D HN 1.134 nan 8.370 nan 0.000 0.500 495 A N -0.206 122.611 122.820 -0.004 0.000 2.594 495 A HA 0.524 4.843 4.320 -0.000 0.000 0.296 495 A C -1.640 175.912 177.584 -0.054 0.000 1.061 495 A CA -0.845 51.188 52.037 -0.008 0.000 0.689 495 A CB 1.337 20.356 19.000 0.032 0.000 1.280 495 A HN -0.047 nan 8.150 nan 0.000 0.406 496 V N 2.640 122.529 119.914 -0.043 0.000 2.328 496 V HA 0.538 4.658 4.120 -0.000 0.000 0.278 496 V C -0.366 175.723 176.094 -0.009 0.000 1.021 496 V CA -0.173 62.087 62.300 -0.066 0.000 0.838 496 V CB 0.277 32.012 31.823 -0.147 0.000 0.999 496 V HN 0.834 nan 8.190 nan 0.000 0.447 497 I N 2.039 122.604 120.570 -0.009 0.000 2.693 497 I HA 0.656 4.826 4.170 -0.000 0.000 0.303 497 I C -0.066 176.025 176.117 -0.043 0.000 1.025 497 I CA -1.149 60.133 61.300 -0.029 0.000 1.086 497 I CB 1.285 39.163 38.000 -0.202 0.000 1.268 497 I HN 0.263 nan 8.210 nan 0.000 0.440 498 M N 4.075 123.635 119.600 -0.066 0.000 2.251 498 M HA 0.121 4.601 4.480 -0.000 0.000 0.343 498 M C -1.479 174.607 176.300 -0.357 0.000 1.245 498 M CA -1.578 53.626 55.300 -0.161 0.000 1.061 498 M CB -0.297 32.244 32.600 -0.098 0.000 1.723 498 M HN 0.479 nan 8.290 nan 0.000 0.449 499 P HA -0.145 nan 4.420 nan 0.000 0.220 499 P C 1.218 178.125 177.300 -0.655 0.000 1.144 499 P CA 1.469 63.764 63.100 -1.342 0.000 0.800 499 P CB 0.087 30.940 31.700 -1.412 0.000 0.772 500 S N -2.019 113.475 115.700 -0.343 0.000 2.446 500 S HA -0.051 4.419 4.470 -0.000 0.000 0.225 500 S C 1.432 176.015 174.600 -0.029 0.000 1.016 500 S CA 0.764 58.875 58.200 -0.149 0.000 0.943 500 S CB -0.802 62.337 63.200 -0.103 0.000 0.786 500 S HN 0.059 nan 8.310 nan 0.000 0.508 501 D N 1.667 122.065 120.400 -0.003 0.000 2.336 501 D HA 0.129 4.769 4.640 -0.000 0.000 0.229 501 D C 1.200 177.645 176.300 0.241 0.000 1.061 501 D CA 0.365 54.443 54.000 0.131 0.000 0.875 501 D CB -0.104 40.807 40.800 0.185 0.000 0.904 501 D HN 0.404 nan 8.370 nan 0.000 0.525 502 T N 0.640 115.301 114.554 0.179 0.000 2.622 502 T HA -0.207 4.143 4.350 -0.000 0.000 0.266 502 T C 1.965 176.844 174.700 0.298 0.000 1.047 502 T CA 1.018 63.297 62.100 0.298 0.000 1.159 502 T CB 0.039 69.184 68.868 0.462 0.000 0.863 502 T HN 0.197 nan 8.240 nan 0.000 0.422 503 R N 0.790 121.438 120.500 0.246 0.000 2.105 503 R HA -0.049 4.291 4.340 -0.000 0.000 0.239 503 R C 2.628 179.030 176.300 0.170 0.000 1.135 503 R CA 1.181 57.406 56.100 0.207 0.000 0.967 503 R CB -0.162 30.236 30.300 0.164 0.000 0.861 503 R HN 0.226 nan 8.270 nan 0.000 0.442 504 R N -0.465 120.130 120.500 0.159 0.000 2.091 504 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 504 R C 2.019 178.360 176.300 0.068 0.000 1.136 504 R CA 1.818 57.975 56.100 0.095 0.000 0.959 504 R CB -0.308 30.041 30.300 0.081 0.000 0.856 504 R HN 0.509 nan 8.270 nan 0.000 0.437 505 H N 0.077 119.193 119.070 0.076 0.000 2.276 505 H HA -0.074 4.482 4.556 -0.000 0.000 0.301 505 H C 2.353 177.717 175.328 0.059 0.000 1.073 505 H CA 1.780 57.867 56.048 0.065 0.000 1.311 505 H CB -0.189 29.618 29.762 0.074 0.000 1.379 505 H HN 0.175 nan 8.280 nan 0.000 0.494 506 I N 0.435 121.133 120.570 0.213 0.000 2.143 506 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 506 I C 2.642 178.818 176.117 0.098 0.000 1.068 506 I CA 1.135 62.517 61.300 0.137 0.000 1.326 506 I CB -0.419 37.679 38.000 0.162 0.000 1.028 506 I HN 0.032 nan 8.210 nan 0.000 0.412 507 V N 1.635 121.606 119.914 0.095 0.000 2.223 507 V HA -0.276 3.844 4.120 -0.000 0.000 0.244 507 V C 2.755 178.872 176.094 0.038 0.000 1.045 507 V CA 2.336 64.675 62.300 0.066 0.000 1.000 507 V CB -0.800 31.059 31.823 0.060 0.000 0.635 507 V HN 0.541 nan 8.190 nan 0.000 0.445 508 R N 1.180 121.688 120.500 0.013 0.000 2.189 508 R HA -0.047 4.293 4.340 -0.000 0.000 0.223 508 R C 2.017 178.315 176.300 -0.004 0.000 1.092 508 R CA 1.984 58.076 56.100 -0.014 0.000 0.989 508 R CB -1.308 28.954 30.300 -0.063 0.000 0.876 508 R HN 0.466 nan 8.270 nan 0.000 0.457 509 G N 1.557 110.368 108.800 0.018 0.000 2.404 509 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.214 509 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.214 509 G C 1.742 176.657 174.900 0.025 0.000 1.189 509 G CA 0.571 45.688 45.100 0.028 0.000 0.789 509 G HN 0.254 nan 8.290 nan 0.000 0.533 510 L N -0.025 121.218 121.223 0.033 0.000 2.012 510 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 510 L C 3.125 180.010 176.870 0.024 0.000 1.073 510 L CA 1.206 56.064 54.840 0.031 0.000 0.748 510 L CB -0.430 41.655 42.059 0.044 0.000 0.891 510 L HN 0.131 nan 8.230 nan 0.000 0.431 511 R N -0.383 120.131 120.500 0.023 0.000 2.140 511 R HA -0.250 4.090 4.340 -0.000 0.000 0.250 511 R C 2.333 178.640 176.300 0.012 0.000 1.150 511 R CA 1.768 57.878 56.100 0.017 0.000 0.966 511 R CB -0.348 29.960 30.300 0.014 0.000 0.869 511 R HN 0.535 nan 8.270 nan 0.000 0.445 512 Q N -0.458 119.348 119.800 0.009 0.000 2.163 512 Q HA 0.012 4.352 4.340 -0.000 0.000 0.198 512 Q C 1.899 177.903 176.000 0.006 0.000 0.954 512 Q CA 0.565 56.371 55.803 0.006 0.000 0.851 512 Q CB 0.218 28.958 28.738 0.003 0.000 0.928 512 Q HN 0.266 nan 8.270 nan 0.000 0.459 513 L N 1.341 122.569 121.223 0.008 0.000 2.552 513 L HA -0.076 4.264 4.340 -0.000 0.000 0.227 513 L C 2.120 178.994 176.870 0.008 0.000 1.146 513 L CA 1.158 56.002 54.840 0.006 0.000 0.858 513 L CB -0.741 41.321 42.059 0.006 0.000 0.969 513 L HN 0.313 nan 8.230 nan 0.000 0.451 514 R N -0.241 120.265 120.500 0.011 0.000 2.357 514 R HA -0.062 4.278 4.340 -0.000 0.000 0.202 514 R C 1.156 177.460 176.300 0.006 0.000 1.047 514 R CA 1.314 57.420 56.100 0.011 0.000 1.034 514 R CB -0.717 29.591 30.300 0.014 0.000 0.875 514 R HN 0.358 nan 8.270 nan 0.000 0.473 515 T N -2.328 112.228 114.554 0.003 0.000 3.129 515 T HA 0.122 4.472 4.350 -0.000 0.000 0.267 515 T C 0.339 175.038 174.700 -0.003 0.000 1.018 515 T CA -0.657 61.443 62.100 -0.000 0.000 0.903 515 T CB 0.221 69.088 68.868 -0.000 0.000 1.067 515 T HN 0.192 nan 8.240 nan 0.000 0.549 516 K N 2.173 122.572 120.400 -0.002 0.000 2.436 516 K HA 0.132 4.452 4.320 -0.000 0.000 0.282 516 K C -0.631 175.964 176.600 -0.008 0.000 1.044 516 K CA -0.135 56.149 56.287 -0.006 0.000 1.028 516 K CB 0.382 32.878 32.500 -0.006 0.000 0.919 516 K HN 0.324 nan 8.250 nan 0.000 0.474 517 R N 3.831 124.325 120.500 -0.010 0.000 2.439 517 R HA 0.319 4.659 4.340 -0.000 0.000 0.310 517 R C -0.967 175.323 176.300 -0.016 0.000 0.955 517 R CA -0.778 55.314 56.100 -0.013 0.000 0.853 517 R CB 1.668 31.961 30.300 -0.012 0.000 1.171 517 R HN 0.613 nan 8.270 nan 0.000 0.449 518 E N 1.352 121.541 120.200 -0.019 0.000 2.363 518 E HA 0.345 4.695 4.350 -0.000 0.000 0.281 518 E C -1.217 175.367 176.600 -0.027 0.000 0.953 518 E CA -0.483 55.903 56.400 -0.023 0.000 0.778 518 E CB 2.629 32.314 29.700 -0.025 0.000 1.220 518 E HN 0.455 nan 8.360 nan 0.000 0.431 519 S N 0.964 116.646 115.700 -0.029 0.000 2.667 519 S HA 0.680 5.150 4.470 -0.000 0.000 0.292 519 S C -0.538 174.040 174.600 -0.037 0.000 1.126 519 S CA -0.666 57.514 58.200 -0.032 0.000 0.881 519 S CB 1.303 64.486 63.200 -0.028 0.000 1.132 519 S HN 0.260 nan 8.310 nan 0.000 0.492 520 L N 1.423 122.622 121.223 -0.040 0.000 2.365 520 L HA 0.585 4.925 4.340 -0.000 0.000 0.267 520 L C -2.226 174.623 176.870 -0.034 0.000 1.033 520 L CA -1.841 52.973 54.840 -0.044 0.000 0.802 520 L CB -0.540 41.485 42.059 -0.056 0.000 1.267 520 L HN 0.398 nan 8.230 nan 0.000 0.457 521 P HA 0.110 nan 4.420 nan 0.000 0.267 521 P C -2.497 174.787 177.300 -0.026 0.000 1.200 521 P CA -0.699 62.385 63.100 -0.026 0.000 0.772 521 P CB -0.348 31.338 31.700 -0.024 0.000 0.855 522 P HA 0.062 nan 4.420 nan 0.000 0.263 522 P C -0.768 176.514 177.300 -0.031 0.000 1.195 522 P CA 0.346 63.430 63.100 -0.025 0.000 0.762 522 P CB 0.422 32.108 31.700 -0.023 0.000 0.799 523 K N 1.316 121.695 120.400 -0.036 0.000 2.556 523 K HA 0.349 4.669 4.320 -0.000 0.000 0.274 523 K C 0.346 176.905 176.600 -0.069 0.000 0.966 523 K CA -1.112 55.139 56.287 -0.060 0.000 0.865 523 K CB 1.637 34.100 32.500 -0.061 0.000 1.444 523 K HN -0.100 nan 8.250 nan 0.000 0.433 524 K N -0.049 120.274 120.400 -0.128 0.000 2.026 524 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 524 K C -0.016 176.562 176.600 -0.036 0.000 1.048 524 K CA 2.166 58.391 56.287 -0.104 0.000 0.929 524 K CB -0.310 32.085 32.500 -0.174 0.000 0.713 524 K HN 0.840 nan 8.250 nan 0.000 0.439 525 H N -4.764 114.321 119.070 0.025 0.000 2.969 525 H HA 0.366 4.922 4.556 -0.000 0.000 0.304 525 H C -0.026 175.339 175.328 0.063 0.000 1.400 525 H CA -0.574 55.497 56.048 0.038 0.000 1.182 525 H CB 0.361 30.143 29.762 0.033 0.000 1.865 525 H HN 0.040 nan 8.280 nan 0.000 0.512 526 G N -0.588 108.379 108.800 0.278 0.000 2.529 526 G HA2 0.145 4.105 3.960 -0.000 0.000 0.234 526 G HA3 0.145 4.105 3.960 -0.000 0.000 0.234 526 G C -0.254 174.843 174.900 0.329 0.000 1.527 526 G CA -0.156 45.124 45.100 0.300 0.000 1.062 526 G HN 0.986 nan 8.290 nan 0.000 0.558 527 N N -1.544 117.295 118.700 0.231 0.000 2.581 527 N HA 0.060 4.800 4.740 -0.000 0.000 0.274 527 N C -0.248 175.083 175.510 -0.299 0.000 1.629 527 N CA -0.452 52.622 53.050 0.040 0.000 0.884 527 N CB 0.347 38.876 38.487 0.071 0.000 1.423 527 N HN 0.400 nan 8.380 nan 0.000 0.507 528 I N 1.956 122.119 120.570 -0.679 0.000 2.906 528 I HA 0.013 4.183 4.170 -0.000 0.000 0.302 528 I C -1.974 173.820 176.117 -0.539 0.000 1.220 528 I CA -0.818 59.744 61.300 -1.230 0.000 1.441 528 I CB 0.705 38.166 38.000 -0.898 0.000 1.336 528 I HN 0.197 nan 8.210 nan 0.000 0.565 529 P HA 0.019 nan 4.420 nan 0.000 0.260 529 P C -0.846 176.365 177.300 -0.148 0.000 1.185 529 P CA 0.062 63.040 63.100 -0.204 0.000 0.763 529 P CB 0.459 32.078 31.700 -0.136 0.000 0.776 530 L N 0.000 121.160 121.223 -0.104 0.000 2.949 530 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 530 L CA 0.000 54.797 54.840 -0.071 0.000 0.813 530 L CB 0.000 42.018 42.059 -0.068 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502