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 3iav_1_B 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 AYVVMGSKHL 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 0.000 176.283 176.300 -0.029 0.000 2.045 10 D CA 0.000 54.012 54.000 0.021 0.000 0.868 10 D CB 0.000 40.842 40.800 0.069 0.000 0.688 11 I N -0.484 120.039 120.570 -0.079 0.000 4.779 11 I HA 0.307 4.477 4.170 -0.000 0.000 0.339 11 I C 0.332 176.263 176.117 -0.310 0.000 1.293 11 I CA 0.469 61.635 61.300 -0.223 0.000 1.324 11 I CB 0.127 37.930 38.000 -0.329 0.000 1.424 11 I HN 0.372 nan 8.210 nan 0.000 0.489 12 H N -0.045 119.019 119.070 -0.011 0.000 2.549 12 H HA 0.385 4.941 4.556 -0.000 0.000 0.279 12 H C 0.330 175.653 175.328 -0.008 0.000 1.018 12 H CA 0.657 56.699 56.048 -0.009 0.000 1.175 12 H CB 0.091 29.848 29.762 -0.008 0.000 1.485 12 H HN 0.272 nan 8.280 nan 0.000 0.543 13 T N -3.984 110.606 114.554 0.060 0.000 2.932 13 T HA 0.183 4.533 4.350 -0.000 0.000 0.289 13 T C 1.318 176.024 174.700 0.009 0.000 1.039 13 T CA -0.658 61.464 62.100 0.037 0.000 1.024 13 T CB 1.940 70.827 68.868 0.032 0.000 1.090 13 T HN -0.049 nan 8.240 nan 0.000 0.496 14 T N 1.480 116.038 114.554 0.008 0.000 2.720 14 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 14 T C 2.382 177.077 174.700 -0.007 0.000 1.037 14 T CA 1.705 63.805 62.100 -0.001 0.000 1.144 14 T CB -0.822 68.046 68.868 0.001 0.000 0.864 14 T HN 0.836 nan 8.240 nan 0.000 0.444 15 A N 1.401 124.219 122.820 -0.003 0.000 1.908 15 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 15 A C 2.654 180.230 177.584 -0.013 0.000 1.181 15 A CA 1.931 53.964 52.037 -0.006 0.000 0.627 15 A CB -1.389 17.610 19.000 -0.002 0.000 0.818 15 A HN 0.524 nan 8.150 nan 0.000 0.445 16 G N -0.507 108.284 108.800 -0.016 0.000 2.432 16 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 16 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 16 G C 1.662 176.535 174.900 -0.046 0.000 1.135 16 G CA 1.073 46.156 45.100 -0.030 0.000 0.767 16 G HN 0.592 nan 8.290 nan 0.000 0.550 17 K N -0.581 119.792 120.400 -0.044 0.000 2.097 17 K HA 0.051 4.371 4.320 -0.000 0.000 0.205 17 K C 2.362 178.935 176.600 -0.045 0.000 1.050 17 K CA 0.547 56.802 56.287 -0.053 0.000 0.938 17 K CB -0.193 32.281 32.500 -0.042 0.000 0.718 17 K HN 0.161 nan 8.250 nan 0.000 0.442 18 L N 0.787 121.991 121.223 -0.030 0.000 2.056 18 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 18 L C 2.355 179.210 176.870 -0.026 0.000 1.078 18 L CA 1.602 56.428 54.840 -0.023 0.000 0.749 18 L CB -0.761 41.290 42.059 -0.014 0.000 0.901 18 L HN 0.129 nan 8.230 nan 0.000 0.433 19 A N -0.764 122.040 122.820 -0.027 0.000 1.933 19 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 19 A C 2.094 179.657 177.584 -0.036 0.000 1.175 19 A CA 1.927 53.949 52.037 -0.025 0.000 0.628 19 A CB -0.807 18.180 19.000 -0.023 0.000 0.814 19 A HN 0.474 nan 8.150 nan 0.000 0.444 20 D N -0.658 119.711 120.400 -0.052 0.000 2.117 20 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 20 D C 1.758 178.000 176.300 -0.096 0.000 0.987 20 D CA 1.328 55.284 54.000 -0.073 0.000 0.829 20 D CB -0.164 40.583 40.800 -0.088 0.000 0.961 20 D HN 0.261 nan 8.370 nan 0.000 0.460 21 L N 0.821 121.993 121.223 -0.086 0.000 2.017 21 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 21 L C 2.157 179.002 176.870 -0.041 0.000 1.073 21 L CA 1.667 56.453 54.840 -0.091 0.000 0.745 21 L CB -0.538 41.502 42.059 -0.032 0.000 0.894 21 L HN -0.025 nan 8.230 nan 0.000 0.432 22 R N -0.667 119.823 120.500 -0.018 0.000 2.091 22 R HA -0.214 4.126 4.340 -0.000 0.000 0.238 22 R C 2.452 178.756 176.300 0.006 0.000 1.136 22 R CA 1.776 57.879 56.100 0.005 0.000 0.959 22 R CB -0.596 29.705 30.300 0.001 0.000 0.856 22 R HN 0.440 nan 8.270 nan 0.000 0.437 23 R N 1.342 121.832 120.500 -0.018 0.000 2.073 23 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 23 R C 2.215 178.512 176.300 -0.006 0.000 1.134 23 R CA 1.528 57.622 56.100 -0.010 0.000 0.952 23 R CB -0.060 30.227 30.300 -0.022 0.000 0.850 23 R HN 0.170 nan 8.270 nan 0.000 0.433 24 R N 0.186 120.633 120.500 -0.089 0.000 2.096 24 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 24 R C 2.391 178.685 176.300 -0.010 0.000 1.127 24 R CA 1.716 57.686 56.100 -0.216 0.000 0.968 24 R CB -0.418 29.460 30.300 -0.703 0.000 0.861 24 R HN 0.318 nan 8.270 nan 0.000 0.440 25 I N 0.680 121.320 120.570 0.118 0.000 2.163 25 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 25 I C 2.550 178.757 176.117 0.150 0.000 1.085 25 I CA 1.392 62.806 61.300 0.190 0.000 1.347 25 I CB -0.264 37.808 38.000 0.121 0.000 1.044 25 I HN 0.164 nan 8.210 nan 0.000 0.408 26 E N 1.457 121.744 120.200 0.144 0.000 2.051 26 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 26 E C 1.979 178.762 176.600 0.306 0.000 0.991 26 E CA 1.639 58.172 56.400 0.222 0.000 0.799 26 E CB -0.079 29.681 29.700 0.100 0.000 0.748 26 E HN 0.434 nan 8.360 nan 0.000 0.449 27 E N -0.070 120.256 120.200 0.210 0.000 2.051 27 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 27 E C 2.102 178.883 176.600 0.301 0.000 0.991 27 E CA 1.024 57.576 56.400 0.253 0.000 0.799 27 E CB -0.270 29.607 29.700 0.294 0.000 0.748 27 E HN 0.403 nan 8.360 nan 0.000 0.449 28 A N 1.397 124.385 122.820 0.281 0.000 1.902 28 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 28 A C 2.429 180.067 177.584 0.091 0.000 1.181 28 A CA 2.039 54.216 52.037 0.233 0.000 0.623 28 A CB -0.976 18.100 19.000 0.126 0.000 0.818 28 A HN 0.388 nan 8.150 nan 0.000 0.443 29 T N -3.860 110.713 114.554 0.031 0.000 3.113 29 T HA -0.008 4.342 4.350 -0.000 0.000 0.263 29 T C 0.613 175.063 174.700 -0.417 0.000 1.143 29 T CA 1.462 63.452 62.100 -0.184 0.000 1.090 29 T CB -0.450 68.267 68.868 -0.253 0.000 0.922 29 T HN 0.638 nan 8.240 nan 0.000 0.521 30 H N 0.301 119.402 119.070 0.052 0.000 2.637 30 H HA 0.693 5.249 4.556 -0.000 0.000 0.245 30 H C 0.685 176.034 175.328 0.034 0.000 1.190 30 H CA -0.422 55.648 56.048 0.037 0.000 0.934 30 H CB 0.042 29.822 29.762 0.031 0.000 1.950 30 H HN 0.481 nan 8.280 nan 0.000 0.614 31 A N 0.866 123.747 122.820 0.102 0.000 2.386 31 A HA 0.531 4.851 4.320 -0.000 0.000 0.246 31 A C 1.005 178.593 177.584 0.008 0.000 1.089 31 A CA 0.467 52.537 52.037 0.054 0.000 0.790 31 A CB -0.364 18.666 19.000 0.051 0.000 1.042 31 A HN 0.726 nan 8.150 nan 0.000 0.497 32 G N 0.296 109.064 108.800 -0.053 0.000 3.172 32 G HA2 0.252 4.212 3.960 -0.000 0.000 0.686 32 G HA3 0.252 4.212 3.960 -0.000 0.000 0.686 32 G C -0.028 174.850 174.900 -0.036 0.000 1.009 32 G CA -0.026 45.031 45.100 -0.072 0.000 0.787 32 G HN 2.210 nan 8.290 nan 0.000 0.559 33 S N 1.634 117.300 115.700 -0.057 0.000 2.563 33 S HA 0.509 4.979 4.470 -0.000 0.000 0.284 33 S C 1.915 176.515 174.600 0.000 0.000 1.331 33 S CA 0.648 58.832 58.200 -0.027 0.000 1.047 33 S CB 1.643 64.823 63.200 -0.033 0.000 0.859 33 S HN 2.266 nan 8.310 nan 0.000 0.514 34 A N 2.630 125.455 122.820 0.007 0.000 1.933 34 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 34 A C 2.176 179.772 177.584 0.020 0.000 1.175 34 A CA 1.131 53.177 52.037 0.015 0.000 0.628 34 A CB -0.589 18.416 19.000 0.008 0.000 0.814 34 A HN 0.892 nan 8.150 nan 0.000 0.444 35 R N -0.668 119.842 120.500 0.018 0.000 2.328 35 R HA 0.221 4.561 4.340 -0.000 0.000 0.200 35 R C 1.489 177.813 176.300 0.040 0.000 0.983 35 R CA 0.516 56.632 56.100 0.026 0.000 1.062 35 R CB -0.171 30.141 30.300 0.021 0.000 0.956 35 R HN 0.525 nan 8.270 nan 0.000 0.479 36 A N 0.007 122.851 122.820 0.040 0.000 1.988 36 A HA 0.077 4.397 4.320 -0.000 0.000 0.198 36 A C 1.970 179.613 177.584 0.098 0.000 1.507 36 A CA -0.104 51.971 52.037 0.062 0.000 0.901 36 A CB 0.084 19.092 19.000 0.013 0.000 1.007 36 A HN 0.061 nan 8.150 nan 0.000 0.502 37 V N 0.881 120.840 119.914 0.074 0.000 2.594 37 V HA -0.193 3.927 4.120 -0.000 0.000 0.253 37 V C 2.504 178.657 176.094 0.099 0.000 1.069 37 V CA 2.230 64.582 62.300 0.086 0.000 1.082 37 V CB -0.521 31.338 31.823 0.061 0.000 0.680 37 V HN 0.582 nan 8.190 nan 0.000 0.469 38 E N 0.601 120.848 120.200 0.079 0.000 2.076 38 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 38 E C 2.254 178.938 176.600 0.140 0.000 0.979 38 E CA 0.958 57.408 56.400 0.084 0.000 0.807 38 E CB -0.010 29.716 29.700 0.042 0.000 0.761 38 E HN 0.544 nan 8.360 nan 0.000 0.454 39 K N 0.387 120.858 120.400 0.118 0.000 2.097 39 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 39 K C 2.244 178.915 176.600 0.118 0.000 1.049 39 K CA 1.333 57.689 56.287 0.115 0.000 0.933 39 K CB -0.074 32.495 32.500 0.115 0.000 0.717 39 K HN 0.007 nan 8.250 nan 0.000 0.442 40 Q N 0.611 120.498 119.800 0.145 0.000 2.050 40 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 40 Q C 2.064 178.114 176.000 0.084 0.000 0.980 40 Q CA 1.611 57.480 55.803 0.111 0.000 0.840 40 Q CB -0.283 28.548 28.738 0.155 0.000 0.898 40 Q HN 0.393 nan 8.270 nan 0.000 0.424 41 H N -0.425 118.665 119.070 0.033 0.000 2.456 41 H HA -0.043 4.513 4.556 -0.000 0.000 0.296 41 H C 1.533 176.869 175.328 0.013 0.000 1.079 41 H CA 1.455 57.515 56.048 0.020 0.000 1.322 41 H CB 0.010 29.786 29.762 0.024 0.000 1.388 41 H HN 0.394 nan 8.280 nan 0.000 0.538 42 A N 1.690 124.545 122.820 0.058 0.000 1.883 42 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 42 A C 1.563 179.097 177.584 -0.083 0.000 1.186 42 A CA 1.013 53.053 52.037 0.005 0.000 0.624 42 A CB -0.224 18.809 19.000 0.054 0.000 0.822 42 A HN 0.440 nan 8.150 nan 0.000 0.444 43 K N -1.415 118.945 120.400 -0.067 0.000 2.118 43 K HA 0.387 4.707 4.320 -0.000 0.000 0.240 43 K C 0.833 177.362 176.600 -0.119 0.000 1.035 43 K CA 0.088 56.329 56.287 -0.077 0.000 0.899 43 K CB 0.160 32.620 32.500 -0.067 0.000 1.085 43 K HN 0.153 nan 8.250 nan 0.000 0.498 44 G N 1.559 110.300 108.800 -0.098 0.000 3.397 44 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.248 44 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.248 44 G C -0.323 174.525 174.900 -0.086 0.000 1.284 44 G CA 0.071 45.110 45.100 -0.102 0.000 1.570 44 G HN 0.318 nan 8.290 nan 0.000 0.587 45 K N -0.312 120.036 120.400 -0.087 0.000 2.208 45 K HA 0.630 4.950 4.320 -0.000 0.000 0.247 45 K C -0.837 175.750 176.600 -0.022 0.000 0.953 45 K CA -0.876 55.379 56.287 -0.054 0.000 0.837 45 K CB 2.130 34.596 32.500 -0.057 0.000 1.131 45 K HN -0.025 nan 8.250 nan 0.000 0.431 46 L N 0.343 121.562 121.223 -0.006 0.000 2.335 46 L HA 0.375 4.715 4.340 -0.000 0.000 0.268 46 L C 0.722 177.609 176.870 0.027 0.000 1.016 46 L CA -0.480 54.370 54.840 0.017 0.000 0.805 46 L CB 1.187 43.246 42.059 -0.001 0.000 1.311 46 L HN 0.813 nan 8.230 nan 0.000 0.456 47 T N -2.394 112.178 114.554 0.029 0.000 2.788 47 T HA 0.442 4.792 4.350 -0.000 0.000 0.287 47 T C 1.164 175.865 174.700 0.002 0.000 1.007 47 T CA -0.055 62.062 62.100 0.028 0.000 1.005 47 T CB 0.818 69.695 68.868 0.015 0.000 1.012 47 T HN 0.626 nan 8.240 nan 0.000 0.530 48 A N 0.903 123.729 122.820 0.010 0.000 1.933 48 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 48 A C 2.581 180.121 177.584 -0.072 0.000 1.175 48 A CA 1.319 53.349 52.037 -0.011 0.000 0.628 48 A CB -0.723 18.287 19.000 0.017 0.000 0.814 48 A HN 0.899 nan 8.150 nan 0.000 0.444 49 R N -0.550 119.902 120.500 -0.080 0.000 2.090 49 R HA -0.057 4.283 4.340 -0.000 0.000 0.228 49 R C 2.045 178.261 176.300 -0.141 0.000 1.110 49 R CA 1.347 57.367 56.100 -0.134 0.000 0.973 49 R CB -0.226 30.009 30.300 -0.108 0.000 0.869 49 R HN 0.662 nan 8.270 nan 0.000 0.440 50 E N 0.229 120.378 120.200 -0.087 0.000 2.150 50 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 50 E C 1.998 178.546 176.600 -0.086 0.000 0.985 50 E CA 0.857 57.214 56.400 -0.071 0.000 0.814 50 E CB 0.071 29.753 29.700 -0.031 0.000 0.752 50 E HN 0.267 nan 8.360 nan 0.000 0.466 51 R N 0.372 120.819 120.500 -0.089 0.000 2.092 51 R HA -0.053 4.287 4.340 -0.000 0.000 0.231 51 R C 2.341 178.558 176.300 -0.139 0.000 1.119 51 R CA 0.932 56.977 56.100 -0.092 0.000 0.970 51 R CB -0.183 30.072 30.300 -0.076 0.000 0.864 51 R HN 0.178 nan 8.270 nan 0.000 0.440 52 I N 0.935 121.377 120.570 -0.212 0.000 2.315 52 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 52 I C 1.522 177.469 176.117 -0.283 0.000 1.117 52 I CA 1.169 62.276 61.300 -0.322 0.000 1.404 52 I CB -0.257 37.384 38.000 -0.598 0.000 1.071 52 I HN 0.139 nan 8.210 nan 0.000 0.419 53 D N 0.834 121.095 120.400 -0.230 0.000 2.117 53 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 53 D C 2.328 178.568 176.300 -0.099 0.000 0.987 53 D CA 1.186 55.095 54.000 -0.150 0.000 0.829 53 D CB -0.188 40.549 40.800 -0.105 0.000 0.961 53 D HN 0.297 nan 8.370 nan 0.000 0.460 54 L N 0.219 121.389 121.223 -0.087 0.000 2.042 54 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 54 L C 2.405 179.241 176.870 -0.058 0.000 1.076 54 L CA 0.650 55.455 54.840 -0.059 0.000 0.749 54 L CB -0.130 41.900 42.059 -0.048 0.000 0.893 54 L HN 0.075 nan 8.230 nan 0.000 0.432 55 L N -0.609 120.568 121.223 -0.077 0.000 2.068 55 L HA -0.004 4.336 4.340 -0.000 0.000 0.204 55 L C 0.921 177.756 176.870 -0.058 0.000 1.076 55 L CA 1.286 56.086 54.840 -0.067 0.000 0.753 55 L CB -0.071 41.939 42.059 -0.081 0.000 0.910 55 L HN -0.044 nan 8.230 nan 0.000 0.439 56 L N 0.673 121.853 121.223 -0.072 0.000 2.418 56 L HA 0.194 4.534 4.340 -0.000 0.000 0.265 56 L C -0.196 176.662 176.870 -0.020 0.000 1.143 56 L CA -0.887 53.932 54.840 -0.035 0.000 0.809 56 L CB 0.150 42.191 42.059 -0.030 0.000 1.124 56 L HN 0.093 nan 8.230 nan 0.000 0.456 57 D N 1.562 121.964 120.400 0.002 0.000 2.414 57 D HA -0.021 4.619 4.640 -0.000 0.000 0.242 57 D C 0.342 176.648 176.300 0.010 0.000 1.129 57 D CA -0.035 53.967 54.000 0.003 0.000 0.885 57 D CB 0.694 41.501 40.800 0.012 0.000 1.198 57 D HN 0.365 nan 8.370 nan 0.000 0.437 58 E N 0.559 120.761 120.200 0.002 0.000 2.608 58 E HA -0.019 4.330 4.350 -0.000 0.000 0.259 58 E C 1.081 177.691 176.600 0.016 0.000 0.951 58 E CA 0.769 57.172 56.400 0.006 0.000 0.945 58 E CB 0.358 30.058 29.700 -0.000 0.000 0.916 58 E HN 0.726 nan 8.360 nan 0.000 0.477 59 G N 3.350 112.164 108.800 0.023 0.000 2.189 59 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.267 59 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.267 59 G C 0.860 175.775 174.900 0.024 0.000 0.975 59 G CA 1.218 46.331 45.100 0.021 0.000 0.644 59 G HN 0.692 nan 8.290 nan 0.000 0.537 60 S N -1.149 114.578 115.700 0.046 0.000 2.503 60 S HA 0.413 4.883 4.470 -0.000 0.000 0.217 60 S C 0.863 175.489 174.600 0.044 0.000 0.999 60 S CA 0.289 58.519 58.200 0.050 0.000 0.914 60 S CB 0.148 63.390 63.200 0.069 0.000 0.782 60 S HN 0.992 nan 8.310 nan 0.000 0.520 61 F N 3.477 123.355 119.950 -0.120 0.000 2.541 61 F HA 0.478 5.005 4.527 -0.000 0.000 0.378 61 F C -0.563 175.059 175.800 -0.297 0.000 1.068 61 F CA -1.005 56.879 58.000 -0.195 0.000 1.199 61 F CB 0.731 39.642 39.000 -0.147 0.000 1.091 61 F HN -0.071 nan 8.300 nan 0.000 0.555 62 V N 6.956 126.200 119.914 -1.117 0.000 2.376 62 V HA 0.210 4.330 4.120 -0.000 0.000 0.287 62 V C -0.131 175.082 176.094 -1.468 0.000 1.015 62 V CA -1.000 60.570 62.300 -1.216 0.000 0.834 62 V CB 1.246 32.250 31.823 -1.364 0.000 1.001 62 V HN 0.746 nan 8.190 nan 0.000 0.428 63 E N 4.646 124.041 120.200 -1.342 0.000 2.331 63 E HA 0.547 4.897 4.350 -0.000 0.000 0.272 63 E C -1.241 175.057 176.600 -0.502 0.000 1.036 63 E CA -0.446 55.393 56.400 -0.934 0.000 0.864 63 E CB 1.018 30.349 29.700 -0.615 0.000 1.035 63 E HN 0.591 nan 8.360 nan 0.000 0.408 64 L N 3.403 124.437 121.223 -0.315 0.000 2.346 64 L HA 0.298 4.638 4.340 -0.000 0.000 0.274 64 L C -0.395 176.381 176.870 -0.156 0.000 1.007 64 L CA -0.909 53.807 54.840 -0.206 0.000 0.818 64 L CB 1.638 43.608 42.059 -0.149 0.000 1.284 64 L HN 0.683 nan 8.230 nan 0.000 0.424 65 D N 0.831 121.152 120.400 -0.131 0.000 2.751 65 D HA -0.227 4.413 4.640 -0.000 0.000 0.233 65 D C 1.126 177.350 176.300 -0.128 0.000 1.149 65 D CA 1.300 55.248 54.000 -0.088 0.000 0.682 65 D CB -0.610 40.166 40.800 -0.040 0.000 1.068 65 D HN 0.799 nan 8.370 nan 0.000 0.429 66 E N -0.908 119.117 120.200 -0.292 0.000 2.118 66 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 66 E C 1.049 177.440 176.600 -0.349 0.000 0.992 66 E CA 0.996 57.136 56.400 -0.435 0.000 0.804 66 E CB 0.014 29.231 29.700 -0.804 0.000 0.741 66 E HN 0.307 nan 8.360 nan 0.000 0.458 67 F N 0.332 120.275 119.950 -0.011 0.000 2.668 67 F HA 0.387 4.914 4.527 -0.000 0.000 0.297 67 F C 0.487 176.422 175.800 0.225 0.000 1.124 67 F CA -0.381 57.678 58.000 0.099 0.000 1.353 67 F CB -0.223 38.733 39.000 -0.073 0.000 0.992 67 F HN -0.067 nan 8.300 nan 0.000 0.524 68 A N 1.132 124.105 122.820 0.253 0.000 2.445 68 A HA 0.642 4.962 4.320 -0.000 0.000 0.242 68 A C 0.471 178.168 177.584 0.187 0.000 1.075 68 A CA -0.116 52.027 52.037 0.177 0.000 0.777 68 A CB 0.359 19.417 19.000 0.096 0.000 1.013 68 A HN 0.465 nan 8.150 nan 0.000 0.493 69 R N 0.633 121.204 120.500 0.118 0.000 2.651 69 R HA 0.311 4.651 4.340 -0.000 0.000 0.278 69 R C -0.485 175.839 176.300 0.040 0.000 1.010 69 R CA -0.804 55.323 56.100 0.045 0.000 0.896 69 R CB 1.582 31.844 30.300 -0.063 0.000 1.211 69 R HN 1.032 nan 8.270 nan 0.000 0.456 70 H N 1.516 120.635 119.070 0.082 0.000 2.757 70 H HA 0.177 4.733 4.556 -0.000 0.000 0.370 70 H C -0.372 174.975 175.328 0.030 0.000 1.172 70 H CA -0.029 56.054 56.048 0.059 0.000 1.426 70 H CB 1.250 31.049 29.762 0.061 0.000 1.438 70 H HN 0.536 nan 8.280 nan 0.000 0.612 71 R N 1.396 121.998 120.500 0.171 0.000 2.613 71 R HA 0.139 4.479 4.340 -0.000 0.000 0.361 71 R C 0.076 176.463 176.300 0.145 0.000 1.072 71 R CA -0.256 55.896 56.100 0.085 0.000 1.089 71 R CB 0.642 30.970 30.300 0.047 0.000 1.343 71 R HN 0.463 nan 8.270 nan 0.000 0.571 72 S N 0.556 116.459 115.700 0.339 0.000 2.586 72 S HA 0.174 4.644 4.470 -0.000 0.000 0.274 72 S C 1.059 175.749 174.600 0.149 0.000 1.281 72 S CA -0.237 58.064 58.200 0.169 0.000 1.035 72 S CB 1.120 64.330 63.200 0.016 0.000 0.962 72 S HN 0.374 nan 8.310 nan 0.000 0.512 73 T N 0.381 114.965 114.554 0.050 0.000 3.170 73 T HA 0.316 4.666 4.350 -0.000 0.000 0.288 73 T C -0.172 174.507 174.700 -0.034 0.000 0.992 73 T CA -0.508 61.604 62.100 0.021 0.000 0.909 73 T CB -0.832 68.034 68.868 -0.003 0.000 1.133 73 T HN 0.582 nan 8.240 nan 0.000 0.530 74 N N 1.659 120.337 118.700 -0.037 0.000 2.488 74 N HA 0.439 5.179 4.740 -0.000 0.000 0.274 74 N C -0.901 174.616 175.510 0.011 0.000 1.111 74 N CA -0.848 52.144 53.050 -0.096 0.000 0.974 74 N CB 0.059 38.559 38.487 0.022 0.000 1.089 74 N HN 0.114 nan 8.380 nan 0.000 0.465 75 F N 1.317 121.241 119.950 -0.043 0.000 3.048 75 F HA -0.227 4.300 4.527 -0.000 0.000 0.269 75 F C 1.556 177.332 175.800 -0.040 0.000 0.960 75 F CA 0.797 58.771 58.000 -0.043 0.000 0.909 75 F CB -2.128 36.837 39.000 -0.058 0.000 0.837 75 F HN 0.882 nan 8.300 nan 0.000 0.768 76 G N -0.513 108.324 108.800 0.061 0.000 2.180 76 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.263 76 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.263 76 G C 1.105 176.045 174.900 0.068 0.000 0.989 76 G CA 0.339 45.475 45.100 0.060 0.000 0.692 76 G HN 0.614 nan 8.290 nan 0.000 0.526 77 L N 0.620 121.864 121.223 0.035 0.000 2.187 77 L HA -0.082 4.258 4.340 -0.000 0.000 0.213 77 L C 2.634 179.620 176.870 0.193 0.000 1.100 77 L CA 2.200 57.013 54.840 -0.045 0.000 0.765 77 L CB -0.237 41.658 42.059 -0.273 0.000 0.904 77 L HN 0.534 nan 8.230 nan 0.000 0.437 78 D N -0.587 119.942 120.400 0.216 0.000 2.378 78 D HA -0.126 4.513 4.640 -0.000 0.000 0.227 78 D C 1.810 178.186 176.300 0.127 0.000 1.012 78 D CA 0.866 54.995 54.000 0.215 0.000 0.905 78 D CB -0.084 40.776 40.800 0.101 0.000 0.895 78 D HN 0.257 nan 8.370 nan 0.000 0.532 79 A N -0.021 122.877 122.820 0.130 0.000 2.019 79 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 79 A C 0.745 178.392 177.584 0.105 0.000 1.164 79 A CA 0.707 52.801 52.037 0.095 0.000 0.644 79 A CB -0.155 18.901 19.000 0.092 0.000 0.805 79 A HN 0.197 nan 8.150 nan 0.000 0.449 80 N N -0.881 117.933 118.700 0.190 0.000 2.336 80 N HA 0.380 5.120 4.740 -0.000 0.000 0.290 80 N C -1.321 174.363 175.510 0.291 0.000 1.058 80 N CA -0.362 52.793 53.050 0.175 0.000 0.865 80 N CB 1.584 40.169 38.487 0.163 0.000 1.581 80 N HN 0.217 nan 8.380 nan 0.000 0.480 81 R N 1.588 122.122 120.500 0.056 0.000 2.564 81 R HA 0.299 4.639 4.340 -0.000 0.000 0.282 81 R C -2.370 173.865 176.300 -0.108 0.000 1.573 81 R CA -1.278 54.792 56.100 -0.050 0.000 1.588 81 R CB 1.350 31.462 30.300 -0.312 0.000 1.154 81 R HN 0.341 nan 8.270 nan 0.000 0.606 82 P HA -0.088 nan 4.420 nan 0.000 0.268 82 P C -0.606 176.682 177.300 -0.020 0.000 1.204 82 P CA 0.134 63.182 63.100 -0.087 0.000 0.768 82 P CB 0.597 32.217 31.700 -0.134 0.000 0.842 83 Y N 1.288 121.636 120.300 0.080 0.000 2.610 83 Y HA 0.208 4.758 4.550 -0.000 0.000 0.332 83 Y C 2.100 178.047 175.900 0.078 0.000 1.201 83 Y CA 1.614 59.790 58.100 0.127 0.000 1.465 83 Y CB 0.070 38.666 38.460 0.228 0.000 1.283 83 Y HN 0.806 nan 8.280 nan 0.000 0.563 84 G N 2.000 110.945 108.800 0.242 0.000 2.234 84 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.235 84 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.235 84 G C 0.446 175.390 174.900 0.073 0.000 0.997 84 G CA 0.256 45.416 45.100 0.099 0.000 0.623 84 G HN 0.824 nan 8.290 nan 0.000 0.514 85 D N -1.124 119.360 120.400 0.139 0.000 2.811 85 D HA 0.131 4.771 4.640 -0.000 0.000 0.231 85 D C 1.875 178.325 176.300 0.249 0.000 1.157 85 D CA 3.265 57.397 54.000 0.219 0.000 0.716 85 D CB -1.264 39.679 40.800 0.238 0.000 1.077 85 D HN 2.218 nan 8.370 nan 0.000 0.428 86 G N -2.645 106.241 108.800 0.144 0.000 2.175 86 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.244 86 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.244 86 G C 0.213 175.121 174.900 0.013 0.000 0.982 86 G CA 0.354 45.574 45.100 0.200 0.000 0.641 86 G HN 1.303 nan 8.290 nan 0.000 0.527 87 V N 0.012 119.742 119.914 -0.308 0.000 2.932 87 V HA 0.711 4.831 4.120 -0.000 0.000 0.307 87 V C -0.700 175.278 176.094 -0.193 0.000 1.147 87 V CA -0.562 61.476 62.300 -0.437 0.000 0.951 87 V CB 2.368 33.446 31.823 -1.243 0.000 1.031 87 V HN 0.613 nan 8.190 nan 0.000 0.426 88 V N 5.601 125.475 119.914 -0.067 0.000 2.398 88 V HA 0.752 4.872 4.120 -0.000 0.000 0.286 88 V C 0.256 176.393 176.094 0.071 0.000 1.026 88 V CA 0.079 62.381 62.300 0.003 0.000 0.868 88 V CB 1.626 33.449 31.823 -0.001 0.000 0.982 88 V HN 1.082 nan 8.190 nan 0.000 0.443 89 T N 1.263 115.881 114.554 0.107 0.000 2.906 89 T HA 0.977 5.327 4.350 -0.000 0.000 0.295 89 T C -0.122 174.691 174.700 0.187 0.000 1.075 89 T CA -0.180 62.013 62.100 0.155 0.000 1.005 89 T CB 2.301 71.215 68.868 0.075 0.000 1.136 89 T HN 1.309 nan 8.240 nan 0.000 0.498 90 G N 0.320 109.249 108.800 0.215 0.000 2.323 90 G HA2 0.500 4.460 3.960 -0.000 0.000 0.291 90 G HA3 0.500 4.460 3.960 -0.000 0.000 0.291 90 G C -2.067 172.920 174.900 0.144 0.000 1.278 90 G CA -0.528 44.608 45.100 0.059 0.000 0.860 90 G HN 1.297 nan 8.290 nan 0.000 0.504 91 Y N -1.271 119.002 120.300 -0.044 0.000 2.602 91 Y HA 0.933 5.483 4.550 -0.000 0.000 0.342 91 Y C 0.418 176.389 175.900 0.120 0.000 1.029 91 Y CA -0.664 57.454 58.100 0.029 0.000 1.080 91 Y CB 1.804 40.204 38.460 -0.101 0.000 1.284 91 Y HN 1.568 nan 8.280 nan 0.000 0.485 92 G N -0.025 108.977 108.800 0.337 0.000 2.500 92 G HA2 0.518 4.478 3.960 -0.000 0.000 0.299 92 G HA3 0.518 4.478 3.960 -0.000 0.000 0.299 92 G C -1.441 173.580 174.900 0.202 0.000 1.242 92 G CA -0.433 44.805 45.100 0.230 0.000 0.859 92 G HN 1.171 nan 8.290 nan 0.000 0.481 93 T N -2.716 111.914 114.554 0.127 0.000 2.906 93 T HA 0.718 5.068 4.350 -0.000 0.000 0.295 93 T C -1.338 173.390 174.700 0.047 0.000 1.061 93 T CA -0.775 61.377 62.100 0.088 0.000 1.000 93 T CB 2.014 70.927 68.868 0.075 0.000 1.103 93 T HN 1.024 nan 8.240 nan 0.000 0.486 94 V N 2.527 122.456 119.914 0.025 0.000 2.447 94 V HA 0.376 4.496 4.120 -0.000 0.000 0.292 94 V C -0.580 175.505 176.094 -0.015 0.000 1.021 94 V CA -0.668 61.629 62.300 -0.005 0.000 0.850 94 V CB 1.132 32.943 31.823 -0.020 0.000 1.005 94 V HN 1.142 nan 8.190 nan 0.000 0.426 95 D N 4.249 124.638 120.400 -0.019 0.000 2.772 95 D HA -0.200 4.440 4.640 -0.000 0.000 0.233 95 D C 1.325 177.629 176.300 0.006 0.000 1.143 95 D CA 1.664 55.652 54.000 -0.020 0.000 0.700 95 D CB -1.001 39.774 40.800 -0.042 0.000 1.076 95 D HN 1.451 nan 8.370 nan 0.000 0.430 96 G N -0.441 108.367 108.800 0.014 0.000 2.184 96 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.264 96 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.264 96 G C 0.317 175.233 174.900 0.026 0.000 0.975 96 G CA 0.616 45.731 45.100 0.026 0.000 0.642 96 G HN 0.536 nan 8.290 nan 0.000 0.536 97 R N 1.038 121.549 120.500 0.019 0.000 2.589 97 R HA 0.511 4.851 4.340 -0.000 0.000 0.293 97 R C -2.449 173.872 176.300 0.035 0.000 0.963 97 R CA -1.988 54.121 56.100 0.014 0.000 0.905 97 R CB 1.852 32.145 30.300 -0.012 0.000 1.144 97 R HN 0.118 nan 8.270 nan 0.000 0.459 98 P HA 0.014 nan 4.420 nan 0.000 0.267 98 P C -0.715 176.640 177.300 0.091 0.000 1.205 98 P CA 0.131 63.282 63.100 0.086 0.000 0.765 98 P CB 0.931 32.669 31.700 0.064 0.000 0.828 99 V N 2.325 122.326 119.914 0.144 0.000 3.012 99 V HA 0.632 4.752 4.120 -0.000 0.000 0.307 99 V C -0.157 176.066 176.094 0.215 0.000 1.166 99 V CA -0.932 61.450 62.300 0.136 0.000 0.974 99 V CB 2.168 34.039 31.823 0.081 0.000 1.040 99 V HN 0.750 nan 8.190 nan 0.000 0.428 100 A N 2.603 125.554 122.820 0.218 0.000 2.324 100 A HA 0.964 5.284 4.320 -0.000 0.000 0.330 100 A C -0.942 176.761 177.584 0.197 0.000 1.165 100 A CA -0.667 51.533 52.037 0.271 0.000 0.813 100 A CB 1.844 21.045 19.000 0.335 0.000 1.197 100 A HN 1.264 nan 8.150 nan 0.000 0.484 101 V N 2.489 122.521 119.914 0.197 0.000 3.087 101 V HA 0.873 4.993 4.120 -0.000 0.000 0.306 101 V C -1.873 174.335 176.094 0.190 0.000 1.187 101 V CA -0.835 61.530 62.300 0.108 0.000 0.999 101 V CB 2.058 33.881 31.823 0.001 0.000 1.049 101 V HN 1.315 nan 8.190 nan 0.000 0.431 102 F N 2.634 122.610 119.950 0.044 0.000 2.578 102 F HA 0.884 5.411 4.527 -0.000 0.000 0.311 102 F C -0.629 175.174 175.800 0.004 0.000 1.094 102 F CA -0.734 57.277 58.000 0.018 0.000 0.923 102 F CB 1.995 41.011 39.000 0.027 0.000 1.230 102 F HN 0.459 nan 8.300 nan 0.000 0.450 103 S N 2.419 118.192 115.700 0.121 0.000 2.779 103 S HA 0.334 4.804 4.470 -0.000 0.000 0.293 103 S C -1.141 173.536 174.600 0.129 0.000 1.150 103 S CA -0.573 57.647 58.200 0.033 0.000 1.057 103 S CB 0.844 64.007 63.200 -0.062 0.000 1.021 103 S HN 0.776 nan 8.310 nan 0.000 0.485 104 Q N 2.549 122.490 119.800 0.235 0.000 2.313 104 Q HA 0.165 4.505 4.340 -0.000 0.000 0.266 104 Q C -0.730 175.406 176.000 0.227 0.000 0.989 104 Q CA -0.088 55.898 55.803 0.304 0.000 0.890 104 Q CB 0.615 29.623 28.738 0.450 0.000 1.200 104 Q HN 0.506 nan 8.270 nan 0.000 0.396 105 D N 2.324 122.856 120.400 0.220 0.000 2.428 105 D HA 0.039 4.679 4.640 -0.000 0.000 0.221 105 D C -0.172 176.257 176.300 0.216 0.000 1.123 105 D CA -0.356 53.750 54.000 0.175 0.000 0.869 105 D CB 0.313 41.170 40.800 0.095 0.000 1.032 105 D HN 0.495 nan 8.370 nan 0.000 0.506 106 F N 2.649 122.654 119.950 0.091 0.000 2.333 106 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 106 F C 2.287 178.122 175.800 0.059 0.000 1.083 106 F CA 1.669 59.717 58.000 0.080 0.000 1.395 106 F CB 0.040 39.076 39.000 0.060 0.000 1.056 106 F HN 0.375 nan 8.300 nan 0.000 0.529 107 T N -2.399 112.190 114.554 0.058 0.000 3.085 107 T HA 0.069 4.419 4.350 -0.000 0.000 0.263 107 T C 0.609 175.231 174.700 -0.130 0.000 1.127 107 T CA 0.489 62.566 62.100 -0.039 0.000 1.103 107 T CB -0.782 68.109 68.868 0.038 0.000 0.921 107 T HN -0.088 nan 8.240 nan 0.000 0.510 108 V N 2.847 122.690 119.914 -0.119 0.000 2.328 108 V HA 0.402 4.522 4.120 -0.000 0.000 0.278 108 V C -0.257 175.761 176.094 -0.127 0.000 1.021 108 V CA -0.957 61.212 62.300 -0.217 0.000 0.838 108 V CB -0.344 31.396 31.823 -0.137 0.000 0.999 108 V HN 0.468 nan 8.190 nan 0.000 0.447 109 F N 3.381 123.283 119.950 -0.079 0.000 3.090 109 F HA -0.231 4.296 4.527 -0.000 0.000 0.282 109 F C 1.674 177.367 175.800 -0.178 0.000 0.923 109 F CA 1.141 59.078 58.000 -0.104 0.000 0.977 109 F CB -1.821 37.138 39.000 -0.070 0.000 0.954 109 F HN 0.912 nan 8.300 nan 0.000 0.695 110 G N -1.053 107.628 108.800 -0.199 0.000 2.203 110 G HA2 0.105 4.065 3.960 -0.000 0.000 0.263 110 G HA3 0.105 4.065 3.960 -0.000 0.000 0.263 110 G C 1.691 176.396 174.900 -0.325 0.000 1.012 110 G CA 1.199 45.986 45.100 -0.521 0.000 0.749 110 G HN 2.220 nan 8.290 nan 0.000 0.512 111 G N -1.486 107.261 108.800 -0.088 0.000 2.189 111 G HA2 0.113 4.073 3.960 -0.000 0.000 0.267 111 G HA3 0.113 4.073 3.960 -0.000 0.000 0.267 111 G C 0.940 175.879 174.900 0.065 0.000 0.975 111 G CA 1.243 46.420 45.100 0.128 0.000 0.644 111 G HN 2.364 nan 8.290 nan 0.000 0.537 112 A N -0.035 122.789 122.820 0.007 0.000 2.548 112 A HA 0.500 4.820 4.320 -0.000 0.000 0.247 112 A C 0.703 178.127 177.584 -0.266 0.000 1.067 112 A CA 0.560 52.550 52.037 -0.079 0.000 0.757 112 A CB 0.310 19.272 19.000 -0.064 0.000 0.996 112 A HN 1.501 nan 8.150 nan 0.000 0.504 113 L N 4.011 124.975 121.223 -0.433 0.000 2.361 113 L HA 0.555 4.895 4.340 -0.000 0.000 0.278 113 L C 0.739 177.271 176.870 -0.563 0.000 1.113 113 L CA 0.167 54.511 54.840 -0.826 0.000 0.849 113 L CB 0.403 41.922 42.059 -0.900 0.000 1.155 113 L HN 0.764 nan 8.230 nan 0.000 0.452 114 G N 2.686 111.227 108.800 -0.432 0.000 3.075 114 G HA2 0.180 4.140 3.960 -0.000 0.000 0.253 114 G HA3 0.180 4.140 3.960 -0.000 0.000 0.253 114 G C 0.175 174.981 174.900 -0.156 0.000 1.353 114 G CA -0.159 44.799 45.100 -0.236 0.000 1.051 114 G HN 0.728 nan 8.290 nan 0.000 0.553 115 E N -1.356 118.792 120.200 -0.087 0.000 2.017 115 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 115 E C 2.478 179.084 176.600 0.010 0.000 0.997 115 E CA 1.527 57.898 56.400 -0.047 0.000 0.804 115 E CB -0.115 29.572 29.700 -0.022 0.000 0.757 115 E HN 0.163 nan 8.360 nan 0.000 0.448 116 V N 0.589 120.543 119.914 0.067 0.000 2.453 116 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 116 V C 2.186 178.350 176.094 0.116 0.000 1.048 116 V CA 1.753 64.106 62.300 0.088 0.000 1.049 116 V CB -0.690 31.204 31.823 0.120 0.000 0.672 116 V HN 0.432 nan 8.190 nan 0.000 0.457 117 Y N 2.244 122.533 120.300 -0.018 0.000 2.274 117 Y HA -0.075 4.475 4.550 -0.000 0.000 0.290 117 Y C 2.250 178.082 175.900 -0.112 0.000 1.145 117 Y CA 1.239 59.317 58.100 -0.037 0.000 1.203 117 Y CB -0.910 37.537 38.460 -0.021 0.000 0.984 117 Y HN 0.178 nan 8.280 nan 0.000 0.533 118 G N -0.423 108.490 108.800 0.188 0.000 2.402 118 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 118 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 118 G C 1.489 176.371 174.900 -0.031 0.000 1.162 118 G CA 0.704 45.798 45.100 -0.010 0.000 0.777 118 G HN 0.496 nan 8.290 nan 0.000 0.539 119 Q N 0.019 119.814 119.800 -0.009 0.000 2.167 119 Q HA -0.006 4.334 4.340 -0.000 0.000 0.202 119 Q C 2.543 178.533 176.000 -0.017 0.000 0.970 119 Q CA 0.978 56.773 55.803 -0.013 0.000 0.855 119 Q CB -0.070 28.671 28.738 0.004 0.000 0.911 119 Q HN 0.408 nan 8.270 nan 0.000 0.438 120 K N 0.429 120.814 120.400 -0.025 0.000 2.097 120 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 120 K C 1.972 178.529 176.600 -0.071 0.000 1.050 120 K CA 1.004 57.261 56.287 -0.050 0.000 0.938 120 K CB -0.019 32.425 32.500 -0.093 0.000 0.718 120 K HN 0.212 nan 8.250 nan 0.000 0.442 121 I N 0.508 121.000 120.570 -0.131 0.000 2.252 121 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 121 I C 2.174 178.225 176.117 -0.110 0.000 1.102 121 I CA 0.868 62.025 61.300 -0.238 0.000 1.385 121 I CB -0.235 37.486 38.000 -0.464 0.000 1.064 121 I HN -0.086 nan 8.210 nan 0.000 0.414 122 V N 1.308 121.180 119.914 -0.070 0.000 2.407 122 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 122 V C 2.566 178.678 176.094 0.031 0.000 1.055 122 V CA 1.947 64.236 62.300 -0.018 0.000 1.049 122 V CB -0.693 31.117 31.823 -0.022 0.000 0.662 122 V HN 0.439 nan 8.190 nan 0.000 0.455 123 K N 0.538 120.955 120.400 0.030 0.000 2.026 123 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 123 K C 2.081 178.754 176.600 0.123 0.000 1.048 123 K CA 2.097 58.424 56.287 0.066 0.000 0.929 123 K CB -0.187 32.336 32.500 0.039 0.000 0.713 123 K HN 0.477 nan 8.250 nan 0.000 0.439 124 V N -1.054 118.927 119.914 0.111 0.000 2.515 124 V HA -0.183 3.937 4.120 -0.000 0.000 0.250 124 V C 2.361 178.603 176.094 0.247 0.000 1.058 124 V CA 1.560 63.974 62.300 0.189 0.000 1.064 124 V CB -0.625 31.314 31.823 0.193 0.000 0.675 124 V HN 0.262 nan 8.190 nan 0.000 0.461 125 M N 0.584 120.288 119.600 0.174 0.000 2.086 125 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 125 M C 1.995 178.388 176.300 0.155 0.000 1.067 125 M CA 2.240 57.640 55.300 0.165 0.000 1.116 125 M CB -0.423 32.244 32.600 0.113 0.000 1.348 125 M HN 0.315 nan 8.290 nan 0.000 0.407 126 D N -0.494 119.989 120.400 0.139 0.000 2.178 126 D HA -0.157 4.483 4.640 -0.000 0.000 0.201 126 D C 1.647 178.025 176.300 0.130 0.000 0.980 126 D CA 1.101 55.171 54.000 0.117 0.000 0.842 126 D CB -0.315 40.546 40.800 0.101 0.000 0.948 126 D HN 0.299 nan 8.370 nan 0.000 0.472 127 F N 1.604 121.581 119.950 0.045 0.000 2.134 127 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 127 F C 2.190 178.008 175.800 0.029 0.000 1.097 127 F CA 1.466 59.483 58.000 0.028 0.000 1.264 127 F CB -0.181 38.843 39.000 0.040 0.000 1.001 127 F HN -0.063 nan 8.300 nan 0.000 0.479 128 A N 0.519 123.437 122.820 0.164 0.000 1.902 128 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 128 A C 2.186 179.767 177.584 -0.006 0.000 1.181 128 A CA 1.515 53.600 52.037 0.081 0.000 0.623 128 A CB -1.009 18.095 19.000 0.173 0.000 0.818 128 A HN 0.394 nan 8.150 nan 0.000 0.443 129 L N -0.162 121.078 121.223 0.028 0.000 2.056 129 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 129 L C 2.446 179.293 176.870 -0.038 0.000 1.078 129 L CA 2.251 57.105 54.840 0.023 0.000 0.749 129 L CB -1.179 40.915 42.059 0.058 0.000 0.901 129 L HN 0.536 nan 8.230 nan 0.000 0.433 130 K N -0.233 120.114 120.400 -0.089 0.000 2.057 130 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 130 K C 1.808 178.287 176.600 -0.202 0.000 1.049 130 K CA 2.031 58.235 56.287 -0.137 0.000 0.931 130 K CB 0.143 32.544 32.500 -0.165 0.000 0.714 130 K HN 0.459 nan 8.250 nan 0.000 0.440 131 T N -3.481 110.880 114.554 -0.322 0.000 3.060 131 T HA 0.186 4.536 4.350 -0.000 0.000 0.249 131 T C 0.897 175.497 174.700 -0.168 0.000 1.079 131 T CA 0.353 62.265 62.100 -0.313 0.000 1.013 131 T CB 0.434 68.973 68.868 -0.549 0.000 0.975 131 T HN 0.329 nan 8.240 nan 0.000 0.518 132 G N 1.456 110.191 108.800 -0.109 0.000 2.326 132 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.286 132 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.286 132 G C 0.140 175.028 174.900 -0.021 0.000 1.096 132 G CA -0.116 44.961 45.100 -0.037 0.000 1.003 132 G HN 1.437 nan 8.290 nan 0.000 0.503 133 C N -2.006 117.289 119.300 -0.007 0.000 2.971 133 C HA 0.992 5.452 4.460 -0.000 0.000 0.310 133 C C -2.271 172.748 174.990 0.049 0.000 1.285 133 C CA -2.522 56.507 59.018 0.019 0.000 1.593 133 C CB 1.839 29.602 27.740 0.038 0.000 2.076 133 C HN 0.275 nan 8.230 nan 0.000 0.472 134 P HA 0.396 nan 4.420 nan 0.000 0.272 134 P C -0.974 176.380 177.300 0.090 0.000 1.240 134 P CA -0.179 62.944 63.100 0.037 0.000 0.791 134 P CB 0.546 32.237 31.700 -0.015 0.000 0.978 135 V N 2.226 122.203 119.914 0.105 0.000 2.487 135 V HA 0.311 4.431 4.120 -0.000 0.000 0.298 135 V C -0.209 175.940 176.094 0.092 0.000 1.028 135 V CA -0.572 61.815 62.300 0.144 0.000 0.860 135 V CB 2.122 34.074 31.823 0.214 0.000 0.991 135 V HN 0.181 nan 8.190 nan 0.000 0.427 136 V N 3.722 123.654 119.914 0.031 0.000 2.409 136 V HA 0.761 4.881 4.120 -0.000 0.000 0.291 136 V C 0.583 176.507 176.094 -0.283 0.000 1.020 136 V CA -0.300 61.962 62.300 -0.062 0.000 0.848 136 V CB 1.784 33.571 31.823 -0.060 0.000 0.990 136 V HN 0.960 nan 8.190 nan 0.000 0.430 137 G N 4.959 113.512 108.800 -0.411 0.000 2.417 137 G HA2 0.722 4.682 3.960 -0.000 0.000 0.320 137 G HA3 0.722 4.682 3.960 -0.000 0.000 0.320 137 G C -0.822 173.692 174.900 -0.643 0.000 1.204 137 G CA -0.524 43.856 45.100 -1.200 0.000 0.923 137 G HN 0.635 nan 8.290 nan 0.000 0.466 138 I N 2.189 122.367 120.570 -0.652 0.000 2.328 138 I HA 0.192 4.362 4.170 -0.000 0.000 0.287 138 I C -0.695 175.390 176.117 -0.053 0.000 1.012 138 I CA -0.789 60.374 61.300 -0.229 0.000 1.195 138 I CB 1.385 39.284 38.000 -0.168 0.000 1.350 138 I HN 0.348 nan 8.210 nan 0.000 0.464 139 N N 5.000 123.722 118.700 0.037 0.000 2.421 139 N HA 0.457 5.197 4.740 -0.000 0.000 0.285 139 N C -0.826 174.748 175.510 0.107 0.000 1.027 139 N CA -0.528 52.608 53.050 0.144 0.000 0.918 139 N CB 1.244 39.822 38.487 0.151 0.000 1.152 139 N HN 0.444 nan 8.380 nan 0.000 0.485 140 D N 0.494 120.990 120.400 0.161 0.000 3.117 140 D HA 0.106 4.746 4.640 -0.000 0.000 0.241 140 D C -1.669 174.797 176.300 0.276 0.000 1.385 140 D CA -0.131 53.953 54.000 0.140 0.000 0.855 140 D CB 0.154 41.014 40.800 0.101 0.000 1.498 140 D HN 0.324 nan 8.370 nan 0.000 0.584 141 S N 0.156 115.998 115.700 0.235 0.000 2.547 141 S HA 0.628 5.098 4.470 -0.000 0.000 0.281 141 S C 1.265 175.987 174.600 0.203 0.000 1.118 141 S CA -0.042 58.306 58.200 0.248 0.000 0.947 141 S CB 1.419 64.714 63.200 0.158 0.000 1.053 141 S HN 0.250 nan 8.310 nan 0.000 0.482 142 G N 2.143 111.078 108.800 0.226 0.000 2.509 142 G HA2 0.447 4.407 3.960 -0.000 0.000 0.218 142 G HA3 0.447 4.407 3.960 -0.000 0.000 0.218 142 G C 0.900 175.855 174.900 0.092 0.000 1.124 142 G CA 0.552 45.758 45.100 0.177 0.000 0.776 142 G HN 1.575 nan 8.290 nan 0.000 0.547 143 G N -1.345 107.500 108.800 0.075 0.000 2.291 143 G HA2 0.496 4.456 3.960 -0.000 0.000 0.249 143 G HA3 0.496 4.456 3.960 -0.000 0.000 0.249 143 G C -0.473 174.489 174.900 0.104 0.000 1.340 143 G CA -0.182 44.965 45.100 0.078 0.000 1.017 143 G HN 1.036 nan 8.290 nan 0.000 0.470 144 A N -0.161 122.741 122.820 0.136 0.000 2.371 144 A HA 0.700 5.020 4.320 -0.000 0.000 0.257 144 A C 0.772 178.337 177.584 -0.032 0.000 1.089 144 A CA 0.249 52.353 52.037 0.112 0.000 0.794 144 A CB 0.399 19.525 19.000 0.211 0.000 1.029 144 A HN 0.875 nan 8.150 nan 0.000 0.488 145 R N 2.964 123.391 120.500 -0.122 0.000 2.429 145 R HA 0.144 4.484 4.340 -0.000 0.000 0.302 145 R C 0.601 176.815 176.300 -0.142 0.000 1.268 145 R CA -0.559 55.442 56.100 -0.165 0.000 1.090 145 R CB -0.255 29.899 30.300 -0.243 0.000 1.102 145 R HN 0.742 nan 8.270 nan 0.000 0.522 146 I N 2.965 123.461 120.570 -0.123 0.000 2.185 146 I HA -0.353 3.817 4.170 -0.000 0.000 0.246 146 I C 1.730 177.766 176.117 -0.135 0.000 1.088 146 I CA 1.523 62.748 61.300 -0.124 0.000 1.347 146 I CB -0.938 36.966 38.000 -0.159 0.000 1.041 146 I HN 0.613 nan 8.210 nan 0.000 0.415 147 Q N 0.843 120.548 119.800 -0.158 0.000 2.135 147 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 147 Q C 2.019 178.039 176.000 0.033 0.000 0.981 147 Q CA 1.413 57.196 55.803 -0.033 0.000 0.856 147 Q CB -0.312 28.376 28.738 -0.082 0.000 0.902 147 Q HN 0.581 nan 8.270 nan 0.000 0.425 148 E N -0.315 119.842 120.200 -0.072 0.000 2.482 148 E HA 0.068 4.418 4.350 -0.000 0.000 0.196 148 E C 0.997 177.589 176.600 -0.015 0.000 1.047 148 E CA 0.150 56.516 56.400 -0.056 0.000 0.869 148 E CB -0.058 29.574 29.700 -0.114 0.000 0.836 148 E HN 0.396 nan 8.360 nan 0.000 0.520 149 G N 1.206 110.007 108.800 0.003 0.000 2.596 149 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.295 149 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.295 149 G C 1.144 176.050 174.900 0.009 0.000 1.240 149 G CA 0.951 46.063 45.100 0.021 0.000 0.985 149 G HN 0.421 nan 8.290 nan 0.000 0.555 150 V N -1.487 118.437 119.914 0.017 0.000 2.828 150 V HA 0.176 4.296 4.120 -0.000 0.000 0.260 150 V C 3.089 179.184 176.094 0.001 0.000 1.101 150 V CA 2.735 65.045 62.300 0.017 0.000 1.123 150 V CB -1.536 30.299 31.823 0.020 0.000 0.704 150 V HN 2.178 nan 8.190 nan 0.000 0.493 151 A N 0.703 123.515 122.820 -0.014 0.000 1.972 151 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 151 A C 2.446 179.987 177.584 -0.071 0.000 1.169 151 A CA 2.207 54.223 52.037 -0.035 0.000 0.635 151 A CB -0.829 18.150 19.000 -0.034 0.000 0.810 151 A HN 0.613 nan 8.150 nan 0.000 0.446 152 S N -0.066 115.586 115.700 -0.080 0.000 2.383 152 S HA -0.044 4.426 4.470 -0.000 0.000 0.227 152 S C 1.772 176.306 174.600 -0.109 0.000 1.026 152 S CA 1.337 59.445 58.200 -0.154 0.000 0.981 152 S CB -0.395 62.737 63.200 -0.114 0.000 0.818 152 S HN 0.545 nan 8.310 nan 0.000 0.472 153 L N 1.047 122.296 121.223 0.043 0.000 2.093 153 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 153 L C 2.791 179.689 176.870 0.046 0.000 1.085 153 L CA 1.138 56.066 54.840 0.145 0.000 0.755 153 L CB -1.223 40.902 42.059 0.109 0.000 0.904 153 L HN 0.406 nan 8.230 nan 0.000 0.435 154 G N -0.022 108.771 108.800 -0.011 0.000 2.418 154 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 154 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 154 G C 1.804 176.650 174.900 -0.090 0.000 1.158 154 G CA 0.876 45.956 45.100 -0.034 0.000 0.771 154 G HN 0.453 nan 8.290 nan 0.000 0.545 155 A N 0.182 122.912 122.820 -0.150 0.000 1.883 155 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 155 A C 2.227 179.633 177.584 -0.298 0.000 1.186 155 A CA 1.651 53.552 52.037 -0.227 0.000 0.624 155 A CB -0.704 18.111 19.000 -0.309 0.000 0.822 155 A HN 0.366 nan 8.150 nan 0.000 0.444 156 Y N 0.195 120.289 120.300 -0.343 0.000 2.128 156 Y HA -0.131 4.419 4.550 -0.000 0.000 0.284 156 Y C 2.846 178.153 175.900 -0.989 0.000 1.154 156 Y CA 0.975 58.663 58.100 -0.687 0.000 1.149 156 Y CB -1.177 36.911 38.460 -0.619 0.000 0.976 156 Y HN 0.310 nan 8.280 nan 0.000 0.505 157 G N -0.212 108.372 108.800 -0.360 0.000 2.476 157 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 157 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 157 G C 1.613 176.440 174.900 -0.122 0.000 1.164 157 G CA 1.192 46.188 45.100 -0.173 0.000 0.768 157 G HN 0.310 nan 8.290 nan 0.000 0.560 158 E N 0.316 120.439 120.200 -0.129 0.000 2.110 158 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 158 E C 2.600 179.149 176.600 -0.085 0.000 0.988 158 E CA 0.612 56.960 56.400 -0.086 0.000 0.804 158 E CB -0.148 29.505 29.700 -0.078 0.000 0.745 158 E HN 0.552 nan 8.360 nan 0.000 0.458 159 I N 0.357 120.841 120.570 -0.143 0.000 2.233 159 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 159 I C 2.140 178.314 176.117 0.096 0.000 1.093 159 I CA 0.729 61.990 61.300 -0.065 0.000 1.380 159 I CB -0.303 37.631 38.000 -0.111 0.000 1.067 159 I HN -0.036 nan 8.210 nan 0.000 0.413 160 F N 1.083 121.059 119.950 0.043 0.000 2.120 160 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 160 F C 2.670 178.445 175.800 -0.042 0.000 1.095 160 F CA 1.294 59.309 58.000 0.026 0.000 1.249 160 F CB -1.254 37.766 39.000 0.033 0.000 0.995 160 F HN 0.014 nan 8.300 nan 0.000 0.480 161 R N 0.081 120.638 120.500 0.096 0.000 2.083 161 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 161 R C 2.362 178.487 176.300 -0.292 0.000 1.137 161 R CA 1.441 57.448 56.100 -0.155 0.000 0.951 161 R CB -0.089 30.089 30.300 -0.203 0.000 0.851 161 R HN -0.001 nan 8.270 nan 0.000 0.434 162 R N 0.381 120.810 120.500 -0.119 0.000 2.081 162 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 162 R C 1.867 178.203 176.300 0.059 0.000 1.131 162 R CA 2.071 58.151 56.100 -0.033 0.000 0.960 162 R CB -0.591 29.726 30.300 0.029 0.000 0.856 162 R HN 0.434 nan 8.270 nan 0.000 0.436 163 N N -1.248 117.514 118.700 0.102 0.000 2.104 163 N HA -0.152 4.588 4.740 -0.000 0.000 0.190 163 N C 1.278 176.856 175.510 0.113 0.000 1.024 163 N CA 1.824 54.957 53.050 0.138 0.000 0.853 163 N CB -0.080 38.514 38.487 0.178 0.000 1.008 163 N HN 0.184 nan 8.380 nan 0.000 0.424 164 T N -0.496 114.110 114.554 0.086 0.000 2.812 164 T HA -0.059 4.291 4.350 -0.000 0.000 0.264 164 T C 1.358 176.181 174.700 0.206 0.000 1.042 164 T CA 0.957 63.121 62.100 0.106 0.000 1.140 164 T CB -0.323 68.598 68.868 0.089 0.000 0.870 164 T HN 0.426 nan 8.240 nan 0.000 0.445 165 H N 0.455 119.558 119.070 0.054 0.000 2.428 165 H HA 0.204 4.760 4.556 -0.000 0.000 0.296 165 H C 2.354 177.713 175.328 0.053 0.000 1.062 165 H CA 0.578 56.654 56.048 0.046 0.000 1.350 165 H CB 0.100 29.891 29.762 0.049 0.000 1.403 165 H HN 0.342 nan 8.280 nan 0.000 0.533 166 A N 0.787 123.725 122.820 0.198 0.000 2.208 166 A HA -0.007 4.313 4.320 -0.000 0.000 0.209 166 A C 1.279 178.953 177.584 0.151 0.000 1.161 166 A CA -0.022 52.111 52.037 0.160 0.000 0.782 166 A CB 0.026 19.122 19.000 0.159 0.000 0.816 166 A HN 0.183 nan 8.150 nan 0.000 0.477 167 S N 0.083 115.857 115.700 0.124 0.000 2.509 167 S HA 0.381 4.851 4.470 -0.000 0.000 0.287 167 S C 1.354 175.966 174.600 0.019 0.000 1.248 167 S CA 0.825 59.080 58.200 0.090 0.000 1.089 167 S CB -0.324 62.908 63.200 0.054 0.000 0.900 167 S HN 1.795 nan 8.310 nan 0.000 0.496 168 G N 2.987 111.774 108.800 -0.022 0.000 2.159 168 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.256 168 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.256 168 G C 0.518 175.238 174.900 -0.301 0.000 0.977 168 G CA 0.319 45.191 45.100 -0.381 0.000 0.652 168 G HN 0.818 nan 8.290 nan 0.000 0.531 169 V N 0.262 120.204 119.914 0.048 0.000 2.854 169 V HA 0.434 4.554 4.120 -0.000 0.000 0.236 169 V C 1.177 177.476 176.094 0.342 0.000 1.157 169 V CA 1.665 64.044 62.300 0.131 0.000 1.187 169 V CB 0.175 32.058 31.823 0.100 0.000 0.949 169 V HN 0.709 nan 8.190 nan 0.000 0.488 170 I N -1.860 118.932 120.570 0.371 0.000 2.647 170 I HA 0.614 4.784 4.170 -0.000 0.000 0.295 170 I C -3.119 173.138 176.117 0.234 0.000 1.078 170 I CA -2.680 58.788 61.300 0.279 0.000 1.048 170 I CB 2.116 40.205 38.000 0.147 0.000 1.239 170 I HN -0.054 nan 8.210 nan 0.000 0.421 171 P HA 0.145 nan 4.420 nan 0.000 0.268 171 P C -1.353 175.959 177.300 0.021 0.000 1.204 171 P CA 0.148 63.099 63.100 -0.249 0.000 0.768 171 P CB 0.451 31.896 31.700 -0.424 0.000 0.842 172 Q N 2.538 122.398 119.800 0.100 0.000 2.310 172 Q HA 0.561 4.901 4.340 -0.000 0.000 0.270 172 Q C -0.700 175.388 176.000 0.147 0.000 1.025 172 Q CA -0.397 55.487 55.803 0.135 0.000 0.772 172 Q CB 1.845 30.682 28.738 0.165 0.000 1.253 172 Q HN 0.405 nan 8.270 nan 0.000 0.450 173 I N 1.250 121.901 120.570 0.135 0.000 2.465 173 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 173 I C -0.417 175.767 176.117 0.112 0.000 1.014 173 I CA -0.617 60.779 61.300 0.160 0.000 1.093 173 I CB 2.203 40.287 38.000 0.141 0.000 1.267 173 I HN 0.437 nan 8.210 nan 0.000 0.431 174 S N 6.359 122.141 115.700 0.135 0.000 2.433 174 S HA 0.519 4.989 4.470 -0.000 0.000 0.310 174 S C -0.684 173.966 174.600 0.084 0.000 1.097 174 S CA -0.441 57.816 58.200 0.095 0.000 1.103 174 S CB 1.377 64.653 63.200 0.127 0.000 0.992 174 S HN 0.368 nan 8.310 nan 0.000 0.469 175 L N 5.556 126.793 121.223 0.023 0.000 2.276 175 L HA 0.571 4.911 4.340 -0.000 0.000 0.286 175 L C -1.090 175.785 176.870 0.008 0.000 1.024 175 L CA -0.365 54.489 54.840 0.024 0.000 0.826 175 L CB 0.983 43.038 42.059 -0.006 0.000 1.211 175 L HN 0.417 nan 8.230 nan 0.000 0.422 176 V N 6.345 126.269 119.914 0.016 0.000 2.333 176 V HA 0.275 4.395 4.120 -0.000 0.000 0.274 176 V C 0.608 176.690 176.094 -0.020 0.000 1.028 176 V CA -0.182 62.119 62.300 0.003 0.000 0.851 176 V CB 1.230 33.051 31.823 -0.004 0.000 1.000 176 V HN 0.639 nan 8.190 nan 0.000 0.456 177 V N 1.716 121.617 119.914 -0.022 0.000 3.070 177 V HA 0.876 4.996 4.120 -0.000 0.000 0.345 177 V C 0.555 176.611 176.094 -0.064 0.000 1.403 177 V CA 0.578 62.852 62.300 -0.044 0.000 1.155 177 V CB -0.075 31.726 31.823 -0.036 0.000 1.140 177 V HN 0.872 nan 8.190 nan 0.000 0.505 178 G N 0.139 108.906 108.800 -0.054 0.000 2.510 178 G HA2 0.541 4.501 3.960 -0.000 0.000 0.277 178 G HA3 0.541 4.501 3.960 -0.000 0.000 0.277 178 G C -3.538 171.348 174.900 -0.023 0.000 1.223 178 G CA -0.814 44.234 45.100 -0.086 0.000 0.887 178 G HN 0.128 nan 8.290 nan 0.000 0.485 179 P HA 0.471 nan 4.420 nan 0.000 0.275 179 P C -0.842 176.429 177.300 -0.049 0.000 1.228 179 P CA -0.206 62.884 63.100 -0.017 0.000 0.786 179 P CB 1.503 33.210 31.700 0.012 0.000 0.927 180 C N 3.381 122.574 119.300 -0.178 0.000 2.781 180 C HA 0.777 5.237 4.460 -0.000 0.000 0.348 180 C C -0.631 174.103 174.990 -0.426 0.000 1.051 180 C CA 0.039 58.951 59.018 -0.177 0.000 1.347 180 C CB -0.929 26.743 27.740 -0.113 0.000 1.846 180 C HN 0.663 nan 8.230 nan 0.000 0.473 181 A N 4.146 126.727 122.820 -0.398 0.000 2.413 181 A HA 0.992 5.312 4.320 -0.000 0.000 0.307 181 A C 0.460 177.889 177.584 -0.258 0.000 1.087 181 A CA 0.599 52.318 52.037 -0.531 0.000 0.750 181 A CB 1.013 19.719 19.000 -0.489 0.000 1.296 181 A HN 2.645 nan 8.150 nan 0.000 0.423 182 G N 0.235 108.919 108.800 -0.193 0.000 2.645 182 G HA2 0.170 4.130 3.960 -0.000 0.000 0.239 182 G HA3 0.170 4.130 3.960 -0.000 0.000 0.239 182 G C 1.144 175.864 174.900 -0.299 0.000 1.331 182 G CA 0.399 45.402 45.100 -0.162 0.000 0.890 182 G HN 2.108 nan 8.290 nan 0.000 0.572 183 G N -0.205 108.430 108.800 -0.275 0.000 2.501 183 G HA2 0.224 4.184 3.960 -0.000 0.000 0.220 183 G HA3 0.224 4.184 3.960 -0.000 0.000 0.220 183 G C 2.054 176.787 174.900 -0.278 0.000 1.114 183 G CA 2.589 47.527 45.100 -0.270 0.000 0.757 183 G HN 2.010 nan 8.290 nan 0.000 0.559 184 A N 0.675 123.236 122.820 -0.433 0.000 2.024 184 A HA -0.008 4.312 4.320 -0.000 0.000 0.220 184 A C 2.637 180.189 177.584 -0.053 0.000 1.164 184 A CA 2.088 53.977 52.037 -0.246 0.000 0.643 184 A CB -0.611 18.320 19.000 -0.116 0.000 0.806 184 A HN 0.970 nan 8.150 nan 0.000 0.451 185 V N -4.192 115.570 119.914 -0.252 0.000 2.913 185 V HA -0.192 3.928 4.120 -0.000 0.000 0.260 185 V C 2.036 178.021 176.094 -0.183 0.000 1.098 185 V CA 1.538 63.690 62.300 -0.247 0.000 1.121 185 V CB -1.446 30.154 31.823 -0.372 0.000 0.714 185 V HN 0.508 nan 8.190 nan 0.000 0.487 186 Y N 1.065 121.280 120.300 -0.141 0.000 2.509 186 Y HA 0.037 4.587 4.550 -0.000 0.000 0.293 186 Y C 2.994 178.756 175.900 -0.231 0.000 1.133 186 Y CA 0.864 58.779 58.100 -0.307 0.000 1.283 186 Y CB -0.844 37.216 38.460 -0.666 0.000 1.001 186 Y HN 0.391 nan 8.280 nan 0.000 0.555 187 S N 0.179 116.002 115.700 0.204 0.000 2.335 187 S HA -0.070 4.400 4.470 -0.000 0.000 0.217 187 S C -0.424 174.299 174.600 0.204 0.000 1.032 187 S CA 1.089 59.486 58.200 0.327 0.000 0.985 187 S CB -1.063 62.430 63.200 0.489 0.000 0.896 187 S HN 0.168 nan 8.310 nan 0.000 0.445 188 P HA -0.015 nan 4.420 nan 0.000 0.216 188 P C 1.443 178.803 177.300 0.100 0.000 1.150 188 P CA 1.591 64.772 63.100 0.136 0.000 0.837 188 P CB -0.236 31.520 31.700 0.094 0.000 0.786 189 A N -0.638 122.222 122.820 0.066 0.000 1.940 189 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 189 A C 2.143 179.756 177.584 0.049 0.000 1.176 189 A CA 1.613 53.681 52.037 0.051 0.000 0.631 189 A CB -1.631 17.408 19.000 0.065 0.000 0.814 189 A HN 0.160 nan 8.150 nan 0.000 0.446 190 I N 0.418 121.015 120.570 0.046 0.000 2.617 190 I HA -0.089 4.081 4.170 -0.000 0.000 0.256 190 I C 1.550 177.705 176.117 0.062 0.000 1.167 190 I CA 0.739 62.060 61.300 0.034 0.000 1.469 190 I CB -0.659 37.356 38.000 0.026 0.000 1.098 190 I HN 0.447 nan 8.210 nan 0.000 0.436 191 T N -1.752 112.858 114.554 0.094 0.000 2.802 191 T HA -0.018 4.332 4.350 -0.000 0.000 0.305 191 T C 0.928 175.647 174.700 0.032 0.000 1.053 191 T CA -0.420 61.739 62.100 0.100 0.000 1.058 191 T CB 0.852 69.803 68.868 0.138 0.000 0.988 191 T HN 0.094 nan 8.240 nan 0.000 0.539 192 D N 0.044 120.440 120.400 -0.005 0.000 2.144 192 D HA 0.062 4.702 4.640 -0.000 0.000 0.200 192 D C -0.022 175.844 176.300 -0.724 0.000 0.978 192 D CA 1.343 55.185 54.000 -0.264 0.000 0.833 192 D CB -0.043 40.680 40.800 -0.130 0.000 0.961 192 D HN 0.513 nan 8.370 nan 0.000 0.470 193 F N -0.482 119.406 119.950 -0.104 0.000 2.581 193 F HA 0.294 4.821 4.527 -0.000 0.000 0.311 193 F C -0.189 175.627 175.800 0.027 0.000 1.113 193 F CA -0.759 57.047 58.000 -0.324 0.000 0.935 193 F CB 2.329 41.254 39.000 -0.125 0.000 1.232 193 F HN -0.492 nan 8.300 nan 0.000 0.445 194 T N 2.809 117.640 114.554 0.461 0.000 2.812 194 T HA 0.638 4.988 4.350 -0.000 0.000 0.282 194 T C -1.029 173.857 174.700 0.311 0.000 0.990 194 T CA -0.593 61.713 62.100 0.343 0.000 0.960 194 T CB 1.571 70.595 68.868 0.260 0.000 0.948 194 T HN 0.275 nan 8.240 nan 0.000 0.438 195 V N 5.086 125.119 119.914 0.198 0.000 2.448 195 V HA 0.553 4.673 4.120 -0.000 0.000 0.295 195 V C -0.157 175.962 176.094 0.041 0.000 1.025 195 V CA -0.698 61.679 62.300 0.128 0.000 0.859 195 V CB 1.475 33.403 31.823 0.175 0.000 0.988 195 V HN 0.847 nan 8.190 nan 0.000 0.431 196 M N 3.698 123.279 119.600 -0.033 0.000 2.777 196 M HA 0.672 5.152 4.480 -0.000 0.000 0.307 196 M C -1.082 175.149 176.300 -0.115 0.000 1.228 196 M CA -0.976 54.285 55.300 -0.066 0.000 0.871 196 M CB 2.517 35.077 32.600 -0.067 0.000 1.721 196 M HN 0.331 nan 8.290 nan 0.000 0.487 197 V N 0.792 120.639 119.914 -0.111 0.000 2.417 197 V HA 0.177 4.297 4.120 -0.000 0.000 0.291 197 V C -0.620 175.391 176.094 -0.139 0.000 1.024 197 V CA -0.774 61.456 62.300 -0.117 0.000 0.861 197 V CB 1.596 33.368 31.823 -0.085 0.000 0.985 197 V HN 0.765 nan 8.190 nan 0.000 0.436 198 D N 4.563 124.881 120.400 -0.137 0.000 2.533 198 D HA 0.030 4.670 4.640 -0.000 0.000 0.236 198 D C 1.004 177.239 176.300 -0.109 0.000 1.137 198 D CA 0.836 54.760 54.000 -0.125 0.000 0.867 198 D CB 0.636 41.372 40.800 -0.107 0.000 1.170 198 D HN 0.587 nan 8.370 nan 0.000 0.474 199 Q N 1.243 120.974 119.800 -0.115 0.000 2.284 199 Q HA -0.249 4.091 4.340 -0.000 0.000 0.205 199 Q C 0.869 176.841 176.000 -0.047 0.000 0.682 199 Q CA 1.980 57.744 55.803 -0.064 0.000 1.401 199 Q CB -2.576 26.146 28.738 -0.026 0.000 1.643 199 Q HN 0.755 nan 8.270 nan 0.000 0.717 200 T N -3.525 110.962 114.554 -0.112 0.000 3.209 200 T HA 0.410 4.760 4.350 -0.000 0.000 0.295 200 T C 0.238 174.875 174.700 -0.104 0.000 0.977 200 T CA 0.444 62.505 62.100 -0.065 0.000 0.922 200 T CB 0.485 69.314 68.868 -0.066 0.000 1.152 200 T HN 0.309 nan 8.240 nan 0.000 0.527 201 S N 0.517 116.057 115.700 -0.267 0.000 2.540 201 S HA 0.783 5.253 4.470 -0.000 0.000 0.275 201 S C -1.651 172.666 174.600 -0.473 0.000 1.123 201 S CA -0.780 57.297 58.200 -0.207 0.000 0.907 201 S CB 1.581 64.702 63.200 -0.132 0.000 1.081 201 S HN 0.451 nan 8.310 nan 0.000 0.476 202 H N 0.581 119.681 119.070 0.050 0.000 2.974 202 H HA 0.657 5.213 4.556 -0.000 0.000 0.366 202 H C -1.002 174.374 175.328 0.079 0.000 1.155 202 H CA -0.597 55.553 56.048 0.169 0.000 1.186 202 H CB 1.744 31.695 29.762 0.314 0.000 1.799 202 H HN 0.637 nan 8.280 nan 0.000 0.541 203 M N 3.293 123.063 119.600 0.284 0.000 2.327 203 M HA 0.547 5.027 4.480 -0.000 0.000 0.298 203 M C -1.695 174.744 176.300 0.231 0.000 1.065 203 M CA -0.781 54.515 55.300 -0.007 0.000 0.916 203 M CB 1.998 34.476 32.600 -0.203 0.000 1.630 203 M HN 0.595 nan 8.290 nan 0.000 0.442 204 F N 0.295 120.302 119.950 0.095 0.000 2.669 204 F HA 0.467 4.994 4.527 -0.000 0.000 0.315 204 F C -0.615 175.178 175.800 -0.012 0.000 1.109 204 F CA -1.104 56.946 58.000 0.084 0.000 1.028 204 F CB 0.358 39.440 39.000 0.135 0.000 1.287 204 F HN 0.396 nan 8.300 nan 0.000 0.452 205 I N 0.843 121.496 120.570 0.138 0.000 2.286 205 I HA -0.008 4.162 4.170 -0.000 0.000 0.245 205 I C 0.682 176.887 176.117 0.147 0.000 1.104 205 I CA 1.334 62.641 61.300 0.011 0.000 1.397 205 I CB -0.484 37.493 38.000 -0.039 0.000 1.072 205 I HN 0.705 nan 8.210 nan 0.000 0.417 206 T N 0.658 115.349 114.554 0.229 0.000 2.841 206 T HA 0.572 4.922 4.350 -0.000 0.000 0.283 206 T C 0.224 174.998 174.700 0.124 0.000 1.000 206 T CA -0.557 61.645 62.100 0.170 0.000 0.977 206 T CB 2.186 71.090 68.868 0.059 0.000 0.979 206 T HN 0.284 nan 8.240 nan 0.000 0.446 207 G N 2.209 111.033 108.800 0.039 0.000 2.562 207 G HA2 0.400 4.360 3.960 -0.000 0.000 0.275 207 G HA3 0.400 4.360 3.960 -0.000 0.000 0.275 207 G C -1.695 172.992 174.900 -0.355 0.000 1.196 207 G CA -1.463 43.444 45.100 -0.321 0.000 0.908 207 G HN 0.399 nan 8.290 nan 0.000 0.524 208 P HA -0.075 nan 4.420 nan 0.000 0.216 208 P C 0.885 178.009 177.300 -0.293 0.000 1.150 208 P CA 1.247 64.052 63.100 -0.491 0.000 0.837 208 P CB 0.252 31.475 31.700 -0.796 0.000 0.786 209 D N -1.019 119.239 120.400 -0.237 0.000 2.087 209 D HA -0.132 4.508 4.640 -0.000 0.000 0.192 209 D C 1.914 178.160 176.300 -0.089 0.000 0.993 209 D CA 1.116 55.040 54.000 -0.126 0.000 0.828 209 D CB -0.987 39.775 40.800 -0.063 0.000 0.968 209 D HN -0.079 nan 8.370 nan 0.000 0.448 210 V N 0.752 120.624 119.914 -0.071 0.000 2.490 210 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 210 V C 2.294 178.355 176.094 -0.055 0.000 1.061 210 V CA 1.101 63.374 62.300 -0.044 0.000 1.064 210 V CB -0.449 31.363 31.823 -0.018 0.000 0.670 210 V HN 0.256 nan 8.190 nan 0.000 0.461 211 I N 0.090 120.609 120.570 -0.085 0.000 2.226 211 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 211 I C 2.592 178.663 176.117 -0.076 0.000 1.100 211 I CA 1.609 62.860 61.300 -0.082 0.000 1.374 211 I CB -0.369 37.562 38.000 -0.114 0.000 1.057 211 I HN 0.262 nan 8.210 nan 0.000 0.413 212 K N 1.324 121.669 120.400 -0.092 0.000 2.026 212 K HA -0.186 4.133 4.320 -0.000 0.000 0.208 212 K C 2.098 178.665 176.600 -0.054 0.000 1.048 212 K CA 2.417 58.658 56.287 -0.077 0.000 0.929 212 K CB -0.709 31.737 32.500 -0.089 0.000 0.713 212 K HN 0.436 nan 8.250 nan 0.000 0.439 213 T N -2.411 112.114 114.554 -0.048 0.000 2.951 213 T HA -0.020 4.330 4.350 -0.000 0.000 0.268 213 T C 1.798 176.481 174.700 -0.028 0.000 1.073 213 T CA 1.199 63.279 62.100 -0.034 0.000 1.134 213 T CB -0.254 68.597 68.868 -0.028 0.000 0.884 213 T HN -0.037 nan 8.240 nan 0.000 0.479 214 V N 2.078 121.974 119.914 -0.029 0.000 2.685 214 V HA 0.078 4.198 4.120 -0.000 0.000 0.244 214 V C 2.837 178.918 176.094 -0.023 0.000 1.054 214 V CA 1.631 63.917 62.300 -0.022 0.000 1.076 214 V CB -0.203 31.609 31.823 -0.019 0.000 0.725 214 V HN 0.803 nan 8.190 nan 0.000 0.467 215 T N -3.501 111.035 114.554 -0.030 0.000 3.044 215 T HA 0.349 4.699 4.350 -0.000 0.000 0.260 215 T C 1.591 176.272 174.700 -0.032 0.000 1.019 215 T CA 0.858 62.941 62.100 -0.028 0.000 0.921 215 T CB 0.843 69.693 68.868 -0.030 0.000 1.053 215 T HN 0.826 nan 8.240 nan 0.000 0.533 216 G N 1.468 110.247 108.800 -0.036 0.000 2.196 216 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.268 216 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.268 216 G C -0.118 174.756 174.900 -0.043 0.000 0.975 216 G CA 0.535 45.613 45.100 -0.037 0.000 0.648 216 G HN 0.817 nan 8.290 nan 0.000 0.538 217 E N 0.985 121.155 120.200 -0.049 0.000 2.313 217 E HA 0.335 4.685 4.350 -0.000 0.000 0.276 217 E C -0.691 175.864 176.600 -0.075 0.000 1.031 217 E CA -0.577 55.790 56.400 -0.056 0.000 0.857 217 E CB 0.372 30.040 29.700 -0.053 0.000 1.040 217 E HN 0.257 nan 8.360 nan 0.000 0.408 218 D N 3.213 123.569 120.400 -0.074 0.000 2.232 218 D HA 0.292 4.932 4.640 -0.000 0.000 0.242 218 D C -1.096 175.141 176.300 -0.105 0.000 1.093 218 D CA -0.153 53.792 54.000 -0.092 0.000 0.845 218 D CB 1.909 42.665 40.800 -0.074 0.000 1.124 218 D HN 0.124 nan 8.370 nan 0.000 0.467 219 V N 1.517 121.341 119.914 -0.150 0.000 2.932 219 V HA 0.628 4.748 4.120 -0.000 0.000 0.307 219 V C -0.060 175.896 176.094 -0.230 0.000 1.147 219 V CA -0.513 61.690 62.300 -0.162 0.000 0.951 219 V CB 2.160 33.886 31.823 -0.161 0.000 1.031 219 V HN 0.569 nan 8.190 nan 0.000 0.426 220 G N 3.061 111.758 108.800 -0.172 0.000 2.537 220 G HA2 0.411 4.371 3.960 -0.000 0.000 0.273 220 G HA3 0.411 4.371 3.960 -0.000 0.000 0.273 220 G C 0.159 174.937 174.900 -0.203 0.000 1.189 220 G CA -0.190 44.806 45.100 -0.175 0.000 0.881 220 G HN 0.656 nan 8.290 nan 0.000 0.535 221 F N -0.293 119.580 119.950 -0.129 0.000 2.134 221 F HA -0.029 4.498 4.527 -0.000 0.000 0.299 221 F C 2.613 178.427 175.800 0.023 0.000 1.097 221 F CA 1.750 59.648 58.000 -0.171 0.000 1.264 221 F CB -0.063 38.747 39.000 -0.316 0.000 1.001 221 F HN 0.533 nan 8.300 nan 0.000 0.479 222 E N 0.602 120.962 120.200 0.266 0.000 2.031 222 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 222 E C 2.070 178.738 176.600 0.113 0.000 0.994 222 E CA 1.560 58.114 56.400 0.255 0.000 0.800 222 E CB -0.286 29.518 29.700 0.173 0.000 0.752 222 E HN 0.282 nan 8.360 nan 0.000 0.447 223 E N -0.218 120.007 120.200 0.041 0.000 2.110 223 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 223 E C 1.969 178.543 176.600 -0.042 0.000 0.988 223 E CA 1.139 57.530 56.400 -0.014 0.000 0.804 223 E CB -0.529 29.151 29.700 -0.033 0.000 0.745 223 E HN 0.327 nan 8.360 nan 0.000 0.458 224 L N -0.763 120.434 121.223 -0.043 0.000 1.988 224 L HA 0.130 4.470 4.340 -0.000 0.000 0.207 224 L C 1.713 178.569 176.870 -0.024 0.000 1.071 224 L CA 2.376 57.179 54.840 -0.062 0.000 0.744 224 L CB -0.473 41.497 42.059 -0.148 0.000 0.893 224 L HN 0.228 nan 8.230 nan 0.000 0.433 225 G N -1.205 107.666 108.800 0.118 0.000 4.773 225 G HA2 0.420 4.380 3.960 -0.000 0.000 0.269 225 G HA3 0.420 4.380 3.960 -0.000 0.000 0.269 225 G C 0.359 175.414 174.900 0.258 0.000 0.992 225 G CA 0.093 45.288 45.100 0.159 0.000 0.775 225 G HN 0.659 nan 8.290 nan 0.000 0.471 226 G N -0.485 108.401 108.800 0.143 0.000 2.653 226 G HA2 0.470 4.430 3.960 -0.000 0.000 0.265 226 G HA3 0.470 4.430 3.960 -0.000 0.000 0.265 226 G C 1.349 176.221 174.900 -0.047 0.000 1.237 226 G CA 0.368 45.471 45.100 0.005 0.000 0.946 226 G HN 0.548 nan 8.290 nan 0.000 0.522 227 A N -0.332 122.414 122.820 -0.123 0.000 1.902 227 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 227 A C 2.339 179.885 177.584 -0.064 0.000 1.181 227 A CA 1.901 53.891 52.037 -0.079 0.000 0.623 227 A CB -0.418 18.501 19.000 -0.135 0.000 0.818 227 A HN 0.660 nan 8.150 nan 0.000 0.443 228 R N -0.956 119.500 120.500 -0.074 0.000 2.075 228 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 228 R C 2.186 178.455 176.300 -0.052 0.000 1.126 228 R CA 1.946 58.011 56.100 -0.058 0.000 0.963 228 R CB -0.584 29.688 30.300 -0.047 0.000 0.858 228 R HN 0.463 nan 8.270 nan 0.000 0.435 229 T N 0.219 114.720 114.554 -0.088 0.000 2.684 229 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 229 T C 1.402 175.998 174.700 -0.173 0.000 1.036 229 T CA 1.372 63.383 62.100 -0.148 0.000 1.148 229 T CB -0.329 68.393 68.868 -0.243 0.000 0.863 229 T HN 0.382 nan 8.240 nan 0.000 0.436 230 H N 0.583 119.628 119.070 -0.042 0.000 2.546 230 H HA 0.139 4.695 4.556 -0.000 0.000 0.277 230 H C 1.619 176.863 175.328 -0.141 0.000 1.004 230 H CA 0.686 56.682 56.048 -0.088 0.000 1.231 230 H CB -0.123 29.595 29.762 -0.074 0.000 1.382 230 H HN 0.347 nan 8.280 nan 0.000 0.580 231 N N -0.730 117.966 118.700 -0.006 0.000 2.282 231 N HA -0.055 4.685 4.740 -0.000 0.000 0.185 231 N C 1.328 176.868 175.510 0.051 0.000 1.099 231 N CA 0.588 53.620 53.050 -0.030 0.000 0.878 231 N CB 0.619 39.080 38.487 -0.044 0.000 0.993 231 N HN 0.182 nan 8.380 nan 0.000 0.481 232 S N -3.244 112.502 115.700 0.078 0.000 2.628 232 S HA 0.218 4.688 4.470 -0.000 0.000 0.246 232 S C 1.246 176.010 174.600 0.273 0.000 1.062 232 S CA -0.132 58.184 58.200 0.194 0.000 1.028 232 S CB 0.436 63.697 63.200 0.103 0.000 0.985 232 S HN -0.010 nan 8.310 nan 0.000 0.551 233 T N 2.173 116.818 114.554 0.150 0.000 3.138 233 T HA 0.157 4.507 4.350 -0.000 0.000 0.245 233 T C 2.069 176.845 174.700 0.126 0.000 0.982 233 T CA 0.886 63.074 62.100 0.146 0.000 1.134 233 T CB -0.268 68.622 68.868 0.038 0.000 1.032 233 T HN 0.529 nan 8.240 nan 0.000 0.442 234 S N 1.100 116.798 115.700 -0.004 0.000 2.428 234 S HA 0.262 4.732 4.470 -0.000 0.000 0.230 234 S C 2.010 176.455 174.600 -0.260 0.000 1.014 234 S CA 1.017 59.203 58.200 -0.023 0.000 0.957 234 S CB -0.645 62.642 63.200 0.145 0.000 0.784 234 S HN 0.928 nan 8.310 nan 0.000 0.499 235 G N 0.195 108.559 108.800 -0.727 0.000 2.143 235 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.248 235 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.248 235 G C 0.615 175.114 174.900 -0.668 0.000 0.991 235 G CA 0.338 44.580 45.100 -1.430 0.000 0.689 235 G HN 0.643 nan 8.290 nan 0.000 0.522 236 V N -0.114 119.575 119.914 -0.376 0.000 2.446 236 V HA 0.455 4.575 4.120 -0.000 0.000 0.244 236 V C 1.941 177.865 176.094 -0.282 0.000 1.039 236 V CA 1.980 64.121 62.300 -0.264 0.000 1.045 236 V CB -0.219 31.460 31.823 -0.240 0.000 0.681 236 V HN 1.149 nan 8.190 nan 0.000 0.459 237 A N -1.059 121.613 122.820 -0.247 0.000 2.295 237 A HA 0.545 4.865 4.320 -0.000 0.000 0.318 237 A C 0.290 177.721 177.584 -0.255 0.000 1.134 237 A CA -0.274 51.675 52.037 -0.148 0.000 0.827 237 A CB 0.330 19.306 19.000 -0.041 0.000 1.136 237 A HN 0.521 nan 8.150 nan 0.000 0.493 238 H N -0.835 118.293 119.070 0.097 0.000 2.622 238 H HA 0.266 4.822 4.556 -0.000 0.000 0.269 238 H C -0.193 175.200 175.328 0.109 0.000 0.977 238 H CA 1.201 57.352 56.048 0.172 0.000 1.179 238 H CB 0.291 30.291 29.762 0.398 0.000 1.458 238 H HN 0.802 nan 8.280 nan 0.000 0.531 239 H N -0.210 118.825 119.070 -0.058 0.000 3.094 239 H HA 0.300 4.856 4.556 -0.000 0.000 0.335 239 H C -1.648 173.537 175.328 -0.238 0.000 1.254 239 H CA -0.959 54.908 56.048 -0.302 0.000 1.240 239 H CB 0.952 30.168 29.762 -0.909 0.000 1.936 239 H HN 0.083 nan 8.280 nan 0.000 0.536 240 M N 4.521 123.564 119.600 -0.929 0.000 2.078 240 M HA 0.756 5.236 4.480 -0.000 0.000 0.320 240 M C -1.294 174.477 176.300 -0.883 0.000 0.969 240 M CA -0.604 54.303 55.300 -0.655 0.000 0.929 240 M CB 0.792 33.185 32.600 -0.344 0.000 1.504 240 M HN 0.709 nan 8.290 nan 0.000 0.419 241 A N 3.204 125.685 122.820 -0.564 0.000 2.279 241 A HA 0.683 5.003 4.320 -0.000 0.000 0.303 241 A C 0.981 178.479 177.584 -0.144 0.000 1.108 241 A CA -0.188 51.694 52.037 -0.257 0.000 0.830 241 A CB 0.753 19.733 19.000 -0.034 0.000 1.106 241 A HN 1.059 nan 8.150 nan 0.000 0.493 242 G N -0.157 108.604 108.800 -0.066 0.000 2.448 242 G HA2 0.256 4.216 3.960 -0.000 0.000 0.218 242 G HA3 0.256 4.216 3.960 -0.000 0.000 0.218 242 G C 0.173 175.048 174.900 -0.042 0.000 1.135 242 G CA 1.298 46.367 45.100 -0.051 0.000 0.784 242 G HN 0.973 nan 8.290 nan 0.000 0.543 243 D N -2.726 117.658 120.400 -0.027 0.000 2.692 243 D HA 0.167 4.807 4.640 -0.000 0.000 0.303 243 D C 0.568 176.859 176.300 -0.014 0.000 1.278 243 D CA -0.736 53.248 54.000 -0.026 0.000 0.852 243 D CB 0.185 40.973 40.800 -0.019 0.000 1.375 243 D HN -0.007 nan 8.370 nan 0.000 0.453 244 E N -0.247 119.942 120.200 -0.019 0.000 2.106 244 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 244 E C 1.568 178.173 176.600 0.007 0.000 0.984 244 E CA 1.178 57.571 56.400 -0.011 0.000 0.806 244 E CB -0.060 29.627 29.700 -0.022 0.000 0.750 244 E HN 0.519 nan 8.360 nan 0.000 0.458 245 K N 0.935 121.339 120.400 0.007 0.000 2.057 245 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 245 K C 1.424 178.049 176.600 0.041 0.000 1.049 245 K CA 1.581 57.877 56.287 0.015 0.000 0.931 245 K CB -0.135 32.370 32.500 0.009 0.000 0.714 245 K HN -0.044 nan 8.250 nan 0.000 0.440 246 D N 1.452 121.885 120.400 0.054 0.000 2.144 246 D HA -0.054 4.586 4.640 -0.000 0.000 0.200 246 D C 2.031 178.424 176.300 0.156 0.000 0.978 246 D CA 1.435 55.495 54.000 0.101 0.000 0.833 246 D CB -0.198 40.660 40.800 0.097 0.000 0.961 246 D HN 0.359 nan 8.370 nan 0.000 0.470 247 A N 0.420 123.311 122.820 0.118 0.000 1.898 247 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 247 A C 2.444 180.127 177.584 0.164 0.000 1.181 247 A CA 1.105 53.233 52.037 0.151 0.000 0.620 247 A CB -0.694 18.348 19.000 0.069 0.000 0.819 247 A HN 0.146 nan 8.150 nan 0.000 0.442 248 V N 0.131 120.100 119.914 0.092 0.000 2.407 248 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 248 V C 2.586 178.721 176.094 0.070 0.000 1.055 248 V CA 2.327 64.664 62.300 0.061 0.000 1.049 248 V CB -0.657 31.174 31.823 0.015 0.000 0.662 248 V HN 0.708 nan 8.190 nan 0.000 0.455 249 E N -0.148 120.104 120.200 0.086 0.000 2.106 249 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 249 E C 2.021 178.676 176.600 0.092 0.000 0.984 249 E CA 1.507 57.944 56.400 0.063 0.000 0.806 249 E CB -0.515 29.228 29.700 0.070 0.000 0.750 249 E HN 0.664 nan 8.360 nan 0.000 0.458 250 Y N -0.162 120.182 120.300 0.074 0.000 2.181 250 Y HA -0.189 4.361 4.550 -0.000 0.000 0.288 250 Y C 2.079 178.043 175.900 0.106 0.000 1.146 250 Y CA 1.701 59.882 58.100 0.135 0.000 1.164 250 Y CB -0.153 38.364 38.460 0.095 0.000 0.982 250 Y HN -0.043 nan 8.280 nan 0.000 0.515 251 V N 0.535 120.570 119.914 0.201 0.000 2.343 251 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 251 V C 2.160 178.221 176.094 -0.055 0.000 1.051 251 V CA 2.316 64.668 62.300 0.088 0.000 1.036 251 V CB -0.551 31.321 31.823 0.082 0.000 0.654 251 V HN 0.354 nan 8.190 nan 0.000 0.451 252 K N -0.584 119.773 120.400 -0.073 0.000 2.097 252 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 252 K C 2.328 178.776 176.600 -0.255 0.000 1.049 252 K CA 1.187 57.394 56.287 -0.134 0.000 0.933 252 K CB -0.220 32.216 32.500 -0.107 0.000 0.717 252 K HN 0.400 nan 8.250 nan 0.000 0.442 253 Q N 0.699 120.288 119.800 -0.352 0.000 2.050 253 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 253 Q C 2.234 177.834 176.000 -0.667 0.000 0.980 253 Q CA 1.074 56.486 55.803 -0.652 0.000 0.840 253 Q CB -0.404 27.717 28.738 -1.028 0.000 0.898 253 Q HN 0.189 nan 8.270 nan 0.000 0.424 254 L N 0.709 121.627 121.223 -0.508 0.000 1.990 254 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 254 L C 2.336 179.023 176.870 -0.305 0.000 1.072 254 L CA 1.557 56.200 54.840 -0.328 0.000 0.755 254 L CB -1.018 40.902 42.059 -0.232 0.000 0.889 254 L HN 0.188 nan 8.230 nan 0.000 0.432 255 L N -0.948 120.126 121.223 -0.248 0.000 2.079 255 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 255 L C 2.553 179.264 176.870 -0.265 0.000 1.081 255 L CA 1.450 56.161 54.840 -0.215 0.000 0.752 255 L CB -0.767 41.202 42.059 -0.149 0.000 0.896 255 L HN 0.481 nan 8.230 nan 0.000 0.433 256 S N -1.259 114.227 115.700 -0.357 0.000 2.469 256 S HA -0.175 4.295 4.470 -0.000 0.000 0.238 256 S C 1.599 175.881 174.600 -0.529 0.000 0.998 256 S CA 0.808 58.752 58.200 -0.427 0.000 0.957 256 S CB -0.444 62.436 63.200 -0.534 0.000 0.764 256 S HN 0.455 nan 8.310 nan 0.000 0.514 257 Y N 0.961 121.015 120.300 -0.410 0.000 2.478 257 Y HA 0.523 5.073 4.550 -0.000 0.000 0.261 257 Y C 0.739 176.386 175.900 -0.422 0.000 1.127 257 Y CA -0.466 57.354 58.100 -0.468 0.000 1.288 257 Y CB 0.187 38.118 38.460 -0.883 0.000 1.084 257 Y HN 0.201 nan 8.280 nan 0.000 0.530 258 L N 1.777 122.850 121.223 -0.250 0.000 2.330 258 L HA 0.457 4.797 4.340 -0.000 0.000 0.271 258 L C -2.228 174.545 176.870 -0.161 0.000 1.013 258 L CA -2.283 52.432 54.840 -0.207 0.000 0.816 258 L CB 1.674 43.560 42.059 -0.288 0.000 1.287 258 L HN -0.237 nan 8.230 nan 0.000 0.435 259 P HA 0.157 nan 4.420 nan 0.000 0.279 259 P C -0.094 177.146 177.300 -0.099 0.000 1.282 259 P CA -0.425 62.635 63.100 -0.068 0.000 0.788 259 P CB 0.934 32.644 31.700 0.018 0.000 1.139 260 S N -0.810 114.857 115.700 -0.055 0.000 2.461 260 S HA -0.011 4.459 4.470 -0.000 0.000 0.228 260 S C 0.775 175.369 174.600 -0.010 0.000 1.005 260 S CA 0.800 58.973 58.200 -0.046 0.000 0.942 260 S CB -0.655 62.528 63.200 -0.028 0.000 0.776 260 S HN 0.729 nan 8.310 nan 0.000 0.514 261 N N -0.191 118.537 118.700 0.047 0.000 3.116 261 N HA 0.154 4.894 4.740 -0.000 0.000 0.244 261 N C -0.558 175.089 175.510 0.228 0.000 1.485 261 N CA -0.673 52.463 53.050 0.144 0.000 0.884 261 N CB 0.001 38.539 38.487 0.085 0.000 1.415 261 N HN -0.090 nan 8.380 nan 0.000 0.524 262 N N -0.555 118.296 118.700 0.251 0.000 2.571 262 N HA 0.004 4.743 4.740 -0.000 0.000 0.189 262 N C 0.240 175.800 175.510 0.083 0.000 1.154 262 N CA 0.522 53.675 53.050 0.173 0.000 0.907 262 N CB -0.149 38.353 38.487 0.025 0.000 0.977 262 N HN 0.501 nan 8.380 nan 0.000 0.449 263 L N -0.379 120.884 121.223 0.067 0.000 2.509 263 L HA 0.268 4.608 4.340 -0.000 0.000 0.222 263 L C 0.108 176.995 176.870 0.030 0.000 1.123 263 L CA 0.357 55.217 54.840 0.034 0.000 0.856 263 L CB -0.303 41.768 42.059 0.020 0.000 0.985 263 L HN 0.018 nan 8.230 nan 0.000 0.456 264 S N -1.041 114.685 115.700 0.043 0.000 2.600 264 S HA 0.431 4.901 4.470 -0.000 0.000 0.300 264 S C -0.351 174.271 174.600 0.037 0.000 1.087 264 S CA -0.882 57.333 58.200 0.024 0.000 0.965 264 S CB 1.964 65.166 63.200 0.005 0.000 1.089 264 S HN 0.251 nan 8.310 nan 0.000 0.496 265 E N 0.852 121.062 120.200 0.017 0.000 2.349 265 E HA 0.363 4.713 4.350 -0.000 0.000 0.262 265 E C -2.789 173.815 176.600 0.007 0.000 1.088 265 E CA -1.879 54.535 56.400 0.024 0.000 0.899 265 E CB -0.371 29.337 29.700 0.013 0.000 1.044 265 E HN 0.118 nan 8.360 nan 0.000 0.420 266 P HA 0.018 nan 4.420 nan 0.000 0.267 266 P C -2.317 174.943 177.300 -0.066 0.000 1.201 266 P CA -0.652 62.440 63.100 -0.013 0.000 0.775 266 P CB -0.186 31.530 31.700 0.027 0.000 0.854 267 P HA 0.116 nan 4.420 nan 0.000 0.267 267 P C -1.110 176.043 177.300 -0.245 0.000 1.209 267 P CA 0.428 63.401 63.100 -0.211 0.000 0.763 267 P CB 0.420 31.993 31.700 -0.212 0.000 0.816 268 A N 3.582 126.196 122.820 -0.343 0.000 2.386 268 A HA 0.696 5.016 4.320 -0.000 0.000 0.311 268 A C -1.228 176.074 177.584 -0.470 0.000 1.068 268 A CA -0.561 51.316 52.037 -0.267 0.000 0.743 268 A CB 0.947 19.882 19.000 -0.108 0.000 1.258 268 A HN 0.354 nan 8.150 nan 0.000 0.429 269 F N 1.977 121.915 119.950 -0.021 0.000 2.449 269 F HA 0.354 4.881 4.527 -0.000 0.000 0.344 269 F C -2.234 173.564 175.800 -0.005 0.000 1.180 269 F CA -2.066 55.922 58.000 -0.020 0.000 1.209 269 F CB 0.955 39.935 39.000 -0.034 0.000 1.440 269 F HN 0.305 nan 8.300 nan 0.000 0.526 270 P HA -0.045 nan 4.420 nan 0.000 0.263 270 P C -0.705 176.646 177.300 0.084 0.000 1.162 270 P CA 0.554 63.698 63.100 0.073 0.000 0.758 270 P CB 0.353 32.077 31.700 0.040 0.000 0.773 271 E N 0.572 120.814 120.200 0.069 0.000 2.406 271 E HA 0.216 4.566 4.350 -0.000 0.000 0.297 271 E C -1.172 175.458 176.600 0.050 0.000 0.917 271 E CA -0.971 55.464 56.400 0.059 0.000 0.795 271 E CB 1.010 30.748 29.700 0.063 0.000 1.285 271 E HN 0.347 nan 8.360 nan 0.000 0.400 272 E N 2.810 123.034 120.200 0.040 0.000 2.324 272 E HA 0.364 4.714 4.350 -0.000 0.000 0.271 272 E C -0.562 176.059 176.600 0.036 0.000 1.028 272 E CA -0.196 56.225 56.400 0.035 0.000 0.890 272 E CB 0.770 30.487 29.700 0.027 0.000 1.004 272 E HN 0.583 nan 8.360 nan 0.000 0.431 273 A N 4.530 127.374 122.820 0.039 0.000 2.322 273 A HA 0.123 4.443 4.320 -0.000 0.000 0.269 273 A C -0.150 177.453 177.584 0.032 0.000 1.094 273 A CA -0.517 51.545 52.037 0.041 0.000 0.807 273 A CB 0.765 19.795 19.000 0.050 0.000 1.047 273 A HN 0.784 nan 8.150 nan 0.000 0.487 274 D N 2.031 122.450 120.400 0.030 0.000 2.359 274 D HA 0.300 4.940 4.640 -0.000 0.000 0.230 274 D C 0.401 176.717 176.300 0.026 0.000 1.118 274 D CA -0.174 53.841 54.000 0.024 0.000 0.844 274 D CB 0.824 41.637 40.800 0.021 0.000 1.059 274 D HN 0.456 nan 8.370 nan 0.000 0.493 275 L N 2.619 123.855 121.223 0.021 0.000 2.599 275 L HA 0.180 4.520 4.340 -0.000 0.000 0.230 275 L C 1.299 178.179 176.870 0.017 0.000 1.141 275 L CA -0.227 54.625 54.840 0.020 0.000 0.877 275 L CB -0.234 41.831 42.059 0.009 0.000 1.009 275 L HN 0.330 nan 8.230 nan 0.000 0.447 276 A N 0.559 123.388 122.820 0.016 0.000 2.498 276 A HA 0.180 4.500 4.320 -0.000 0.000 0.239 276 A C 0.146 177.741 177.584 0.018 0.000 1.068 276 A CA -0.087 51.958 52.037 0.013 0.000 0.766 276 A CB 0.440 19.447 19.000 0.011 0.000 1.003 276 A HN -0.021 nan 8.150 nan 0.000 0.497 277 V N 4.334 124.257 119.914 0.015 0.000 2.450 277 V HA 0.338 4.458 4.120 -0.000 0.000 0.281 277 V C 0.960 177.066 176.094 0.020 0.000 1.019 277 V CA 0.753 63.064 62.300 0.019 0.000 1.062 277 V CB -0.133 31.695 31.823 0.009 0.000 0.979 277 V HN 1.213 nan 8.190 nan 0.000 0.477 278 T N 2.585 117.157 114.554 0.031 0.000 2.862 278 T HA 0.310 4.660 4.350 -0.000 0.000 0.276 278 T C 0.831 175.551 174.700 0.034 0.000 0.974 278 T CA -0.321 61.797 62.100 0.030 0.000 0.966 278 T CB 1.054 69.943 68.868 0.035 0.000 1.072 278 T HN 0.610 nan 8.240 nan 0.000 0.538 279 D N 0.334 120.753 120.400 0.031 0.000 2.178 279 D HA -0.058 4.582 4.640 -0.000 0.000 0.201 279 D C 1.914 178.251 176.300 0.062 0.000 0.980 279 D CA 1.190 55.211 54.000 0.034 0.000 0.842 279 D CB -0.116 40.700 40.800 0.028 0.000 0.948 279 D HN 0.667 nan 8.370 nan 0.000 0.472 280 E N 0.794 121.041 120.200 0.079 0.000 2.072 280 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 280 E C 1.674 178.429 176.600 0.258 0.000 0.985 280 E CA 0.815 57.308 56.400 0.156 0.000 0.801 280 E CB -0.137 29.585 29.700 0.036 0.000 0.750 280 E HN 0.232 nan 8.360 nan 0.000 0.452 281 D N 0.291 120.789 120.400 0.163 0.000 2.123 281 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 281 D C 1.823 178.140 176.300 0.029 0.000 0.992 281 D CA 1.533 55.608 54.000 0.125 0.000 0.833 281 D CB -0.304 40.539 40.800 0.072 0.000 0.954 281 D HN 0.215 nan 8.370 nan 0.000 0.455 282 A N 1.099 123.927 122.820 0.015 0.000 1.972 282 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 282 A C 2.015 179.562 177.584 -0.062 0.000 1.169 282 A CA 1.370 53.387 52.037 -0.033 0.000 0.635 282 A CB -0.540 18.450 19.000 -0.016 0.000 0.810 282 A HN 0.239 nan 8.150 nan 0.000 0.446 283 E N -0.668 119.517 120.200 -0.025 0.000 2.160 283 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 283 E C 1.557 178.051 176.600 -0.177 0.000 0.991 283 E CA 0.980 57.344 56.400 -0.059 0.000 0.810 283 E CB -0.237 29.485 29.700 0.037 0.000 0.742 283 E HN 0.445 nan 8.360 nan 0.000 0.466 284 L N 1.262 122.334 121.223 -0.252 0.000 2.201 284 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 284 L C 1.533 178.158 176.870 -0.410 0.000 1.105 284 L CA 1.543 56.173 54.840 -0.349 0.000 0.775 284 L CB -0.378 41.464 42.059 -0.363 0.000 0.913 284 L HN 0.020 nan 8.230 nan 0.000 0.440 285 D N -1.214 118.999 120.400 -0.312 0.000 2.263 285 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 285 D C 1.723 177.900 176.300 -0.204 0.000 0.971 285 D CA 1.601 55.430 54.000 -0.285 0.000 0.867 285 D CB 0.079 40.764 40.800 -0.191 0.000 0.929 285 D HN 0.446 nan 8.370 nan 0.000 0.492 286 T N -2.689 111.769 114.554 -0.159 0.000 3.145 286 T HA 0.227 4.577 4.350 -0.000 0.000 0.281 286 T C 1.631 176.274 174.700 -0.094 0.000 1.003 286 T CA -0.381 61.656 62.100 -0.104 0.000 0.901 286 T CB -0.216 68.612 68.868 -0.066 0.000 1.112 286 T HN 0.069 nan 8.240 nan 0.000 0.535 287 I N 1.530 122.020 120.570 -0.134 0.000 2.546 287 I HA 0.116 4.286 4.170 -0.000 0.000 0.255 287 I C -0.039 175.975 176.117 -0.171 0.000 1.163 287 I CA 0.602 61.828 61.300 -0.122 0.000 1.457 287 I CB 0.293 38.209 38.000 -0.139 0.000 1.092 287 I HN 0.067 nan 8.210 nan 0.000 0.434 288 V N 3.845 123.651 119.914 -0.181 0.000 2.455 288 V HA 0.192 4.312 4.120 -0.000 0.000 0.273 288 V C -1.938 174.133 176.094 -0.038 0.000 1.045 288 V CA -1.252 60.941 62.300 -0.178 0.000 0.976 288 V CB 0.168 31.941 31.823 -0.083 0.000 0.993 288 V HN 0.187 nan 8.190 nan 0.000 0.475 289 P HA 0.133 nan 4.420 nan 0.000 0.270 289 P C 0.383 177.711 177.300 0.047 0.000 1.223 289 P CA -0.243 62.888 63.100 0.052 0.000 0.785 289 P CB 0.692 32.447 31.700 0.093 0.000 0.923 290 D N -0.933 119.490 120.400 0.038 0.000 2.123 290 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 290 D C 0.770 177.098 176.300 0.048 0.000 0.976 290 D CA 1.156 55.178 54.000 0.037 0.000 0.831 290 D CB -0.368 40.448 40.800 0.027 0.000 0.974 290 D HN 0.274 nan 8.370 nan 0.000 0.469 291 S N -0.173 115.557 115.700 0.049 0.000 2.510 291 S HA 0.311 4.781 4.470 -0.000 0.000 0.279 291 S C 1.225 175.865 174.600 0.066 0.000 1.284 291 S CA -0.056 58.175 58.200 0.051 0.000 1.059 291 S CB 1.344 64.569 63.200 0.043 0.000 0.901 291 S HN 0.163 nan 8.310 nan 0.000 0.491 292 A N 5.270 128.130 122.820 0.066 0.000 1.972 292 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 292 A C 1.906 179.534 177.584 0.074 0.000 1.169 292 A CA 1.326 53.411 52.037 0.080 0.000 0.635 292 A CB -0.456 18.590 19.000 0.076 0.000 0.810 292 A HN 0.892 nan 8.150 nan 0.000 0.446 293 N N -0.040 118.691 118.700 0.052 0.000 2.336 293 N HA 0.002 4.742 4.740 -0.000 0.000 0.189 293 N C -0.156 175.377 175.510 0.039 0.000 1.113 293 N CA 0.236 53.308 53.050 0.037 0.000 0.858 293 N CB 0.143 38.642 38.487 0.020 0.000 0.970 293 N HN 0.435 nan 8.380 nan 0.000 0.471 294 Q N 2.009 121.844 119.800 0.058 0.000 2.307 294 Q HA 0.266 4.606 4.340 -0.000 0.000 0.259 294 Q C -2.005 174.052 176.000 0.095 0.000 0.998 294 Q CA -1.406 54.435 55.803 0.062 0.000 0.923 294 Q CB 1.442 30.220 28.738 0.067 0.000 1.196 294 Q HN 0.243 nan 8.270 nan 0.000 0.416 295 P HA 0.263 nan 4.420 nan 0.000 0.279 295 P C -1.156 176.200 177.300 0.093 0.000 1.276 295 P CA -0.231 62.872 63.100 0.005 0.000 0.801 295 P CB 0.664 32.311 31.700 -0.089 0.000 1.127 296 Y N -3.347 116.962 120.300 0.015 0.000 2.615 296 Y HA 0.542 5.092 4.550 -0.000 0.000 0.341 296 Y C -0.863 175.048 175.900 0.019 0.000 1.089 296 Y CA -1.517 56.596 58.100 0.022 0.000 1.049 296 Y CB 0.274 38.755 38.460 0.034 0.000 1.296 296 Y HN 0.095 nan 8.280 nan 0.000 0.470 297 D N 2.253 122.724 120.400 0.117 0.000 2.365 297 D HA 0.084 4.724 4.640 -0.000 0.000 0.237 297 D C 0.693 177.058 176.300 0.108 0.000 1.190 297 D CA -0.126 53.915 54.000 0.069 0.000 0.867 297 D CB 1.383 42.262 40.800 0.132 0.000 1.050 297 D HN 0.794 nan 8.370 nan 0.000 0.491 298 M N 4.479 124.033 119.600 -0.077 0.000 2.358 298 M HA -0.150 4.330 4.480 -0.000 0.000 0.264 298 M C 1.447 177.659 176.300 -0.147 0.000 1.064 298 M CA 1.483 56.725 55.300 -0.096 0.000 1.093 298 M CB -0.290 32.164 32.600 -0.244 0.000 1.401 298 M HN 0.454 nan 8.290 nan 0.000 0.440 299 H N -1.079 117.950 119.070 -0.067 0.000 2.390 299 H HA -0.105 4.451 4.556 -0.000 0.000 0.298 299 H C 2.085 177.398 175.328 -0.025 0.000 1.106 299 H CA 1.951 57.968 56.048 -0.051 0.000 1.297 299 H CB -0.405 29.392 29.762 0.059 0.000 1.375 299 H HN 0.432 nan 8.280 nan 0.000 0.509 300 S N 0.081 115.885 115.700 0.174 0.000 2.382 300 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 300 S C 2.576 177.290 174.600 0.190 0.000 1.027 300 S CA 0.959 59.283 58.200 0.208 0.000 0.991 300 S CB -0.282 63.034 63.200 0.193 0.000 0.823 300 S HN 0.123 nan 8.310 nan 0.000 0.469 301 V N 2.208 122.142 119.914 0.032 0.000 2.295 301 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 301 V C 2.079 178.052 176.094 -0.203 0.000 1.049 301 V CA 1.548 63.823 62.300 -0.042 0.000 1.024 301 V CB -0.707 31.059 31.823 -0.094 0.000 0.648 301 V HN 0.438 nan 8.190 nan 0.000 0.447 302 I N -0.004 120.271 120.570 -0.492 0.000 2.127 302 I HA -0.287 3.883 4.170 -0.000 0.000 0.241 302 I C 2.574 178.587 176.117 -0.174 0.000 1.075 302 I CA 1.888 62.824 61.300 -0.607 0.000 1.334 302 I CB -0.513 36.971 38.000 -0.860 0.000 1.040 302 I HN 0.371 nan 8.210 nan 0.000 0.405 303 E N -0.211 119.969 120.200 -0.033 0.000 2.160 303 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 303 E C 1.977 178.622 176.600 0.075 0.000 0.991 303 E CA 1.218 57.663 56.400 0.075 0.000 0.810 303 E CB -0.211 29.554 29.700 0.108 0.000 0.742 303 E HN 0.583 nan 8.360 nan 0.000 0.466 304 H N -0.870 118.226 119.070 0.044 0.000 2.521 304 H HA -0.061 4.495 4.556 -0.000 0.000 0.286 304 H C 1.920 177.313 175.328 0.108 0.000 1.034 304 H CA 1.230 57.325 56.048 0.078 0.000 1.278 304 H CB 0.272 30.086 29.762 0.087 0.000 1.386 304 H HN 0.141 nan 8.280 nan 0.000 0.567 305 V N -2.451 117.596 119.914 0.221 0.000 3.661 305 V HA 0.239 4.359 4.120 -0.000 0.000 0.271 305 V C 0.552 176.754 176.094 0.180 0.000 1.315 305 V CA -0.037 62.397 62.300 0.223 0.000 1.072 305 V CB -0.080 31.930 31.823 0.311 0.000 0.830 305 V HN 0.036 nan 8.190 nan 0.000 0.443 306 L N 1.532 122.849 121.223 0.156 0.000 2.379 306 L HA 0.512 4.852 4.340 -0.000 0.000 0.269 306 L C -0.168 176.782 176.870 0.133 0.000 1.084 306 L CA -0.741 54.196 54.840 0.162 0.000 0.802 306 L CB 0.707 42.879 42.059 0.187 0.000 1.175 306 L HN 0.122 nan 8.230 nan 0.000 0.448 307 D N 1.755 122.238 120.400 0.139 0.000 2.488 307 D HA -0.038 4.602 4.640 -0.000 0.000 0.238 307 D C 0.361 176.720 176.300 0.099 0.000 1.138 307 D CA 0.477 54.542 54.000 0.109 0.000 0.873 307 D CB 0.488 41.354 40.800 0.111 0.000 1.183 307 D HN 0.507 nan 8.370 nan 0.000 0.458 308 D N 1.286 121.726 120.400 0.066 0.000 3.039 308 D HA -0.279 4.361 4.640 -0.000 0.000 0.222 308 D C 0.527 176.861 176.300 0.056 0.000 1.179 308 D CA 1.118 55.149 54.000 0.052 0.000 0.880 308 D CB -1.204 39.629 40.800 0.055 0.000 1.115 308 D HN 0.717 nan 8.370 nan 0.000 0.416 309 A N -0.412 122.442 122.820 0.057 0.000 2.799 309 A HA -0.271 4.049 4.320 -0.000 0.000 0.287 309 A C 0.388 178.042 177.584 0.118 0.000 1.484 309 A CA 1.979 54.047 52.037 0.052 0.000 0.813 309 A CB -1.375 17.613 19.000 -0.020 0.000 1.009 309 A HN 0.391 nan 8.150 nan 0.000 0.545 310 E N -0.578 119.719 120.200 0.161 0.000 2.109 310 E HA 0.644 4.994 4.350 -0.000 0.000 0.278 310 E C -0.809 175.990 176.600 0.331 0.000 0.954 310 E CA -0.608 55.919 56.400 0.213 0.000 0.779 310 E CB 0.323 30.133 29.700 0.183 0.000 1.093 310 E HN 0.696 nan 8.360 nan 0.000 0.401 311 F N 6.473 126.515 119.950 0.154 0.000 2.460 311 F HA 0.419 4.946 4.527 -0.000 0.000 0.341 311 F C -1.769 174.146 175.800 0.191 0.000 1.130 311 F CA -1.762 56.331 58.000 0.155 0.000 0.962 311 F CB 0.582 39.653 39.000 0.119 0.000 1.171 311 F HN 0.433 nan 8.300 nan 0.000 0.436 312 F N 6.665 126.430 119.950 -0.307 0.000 2.406 312 F HA 0.328 4.855 4.527 -0.000 0.000 0.358 312 F C 0.286 175.649 175.800 -0.729 0.000 1.161 312 F CA -0.402 57.364 58.000 -0.389 0.000 1.185 312 F CB 0.006 38.896 39.000 -0.184 0.000 1.421 312 F HN 0.608 nan 8.300 nan 0.000 0.576 313 E N 3.456 122.982 120.200 -1.124 0.000 2.354 313 E HA 0.280 4.630 4.350 -0.000 0.000 0.269 313 E C -0.431 175.811 176.600 -0.596 0.000 1.036 313 E CA -0.327 55.488 56.400 -0.975 0.000 0.876 313 E CB 0.822 30.149 29.700 -0.620 0.000 1.009 313 E HN 0.616 nan 8.360 nan 0.000 0.416 314 T N 1.167 115.500 114.554 -0.369 0.000 2.885 314 T HA 0.233 4.583 4.350 -0.000 0.000 0.285 314 T C -0.186 174.517 174.700 0.004 0.000 1.019 314 T CA -0.774 61.271 62.100 -0.092 0.000 1.010 314 T CB 1.448 70.341 68.868 0.041 0.000 1.022 314 T HN 0.668 nan 8.240 nan 0.000 0.466 315 Q N 0.597 120.469 119.800 0.120 0.000 2.434 315 Q HA -0.126 4.213 4.340 -0.000 0.000 0.299 315 Q C -1.531 174.536 176.000 0.111 0.000 1.286 315 Q CA 0.519 56.400 55.803 0.130 0.000 0.872 315 Q CB -1.206 27.643 28.738 0.185 0.000 1.193 315 Q HN 0.715 nan 8.270 nan 0.000 0.466 316 P HA -0.174 nan 4.420 nan 0.000 0.220 316 P C 1.006 178.360 177.300 0.090 0.000 1.148 316 P CA 1.142 64.285 63.100 0.072 0.000 0.803 316 P CB 0.106 31.834 31.700 0.045 0.000 0.782 317 L N -2.685 118.596 121.223 0.096 0.000 2.509 317 L HA 0.150 4.490 4.340 -0.000 0.000 0.222 317 L C 1.194 178.167 176.870 0.173 0.000 1.123 317 L CA -0.008 54.894 54.840 0.102 0.000 0.856 317 L CB -0.348 41.748 42.059 0.062 0.000 0.985 317 L HN -0.095 nan 8.230 nan 0.000 0.456 318 F N 1.092 121.051 119.950 0.015 0.000 2.415 318 F HA 0.575 5.102 4.527 -0.000 0.000 0.348 318 F C 0.756 176.573 175.800 0.028 0.000 1.119 318 F CA -1.109 56.898 58.000 0.013 0.000 1.069 318 F CB 0.919 39.913 39.000 -0.010 0.000 1.124 318 F HN -0.007 nan 8.300 nan 0.000 0.472 319 A N 5.819 128.274 122.820 -0.608 0.000 2.362 319 A HA -0.186 4.134 4.320 -0.000 0.000 0.290 319 A C -2.106 175.398 177.584 -0.134 0.000 1.441 319 A CA 0.414 52.162 52.037 -0.482 0.000 0.743 319 A CB -1.941 16.635 19.000 -0.706 0.000 1.125 319 A HN 0.661 nan 8.150 nan 0.000 0.378 320 P HA -0.150 nan 4.420 nan 0.000 0.228 320 P C 1.299 178.640 177.300 0.069 0.000 1.151 320 P CA 1.295 64.440 63.100 0.075 0.000 0.770 320 P CB -0.112 31.660 31.700 0.120 0.000 0.786 321 N N -0.588 118.173 118.700 0.102 0.000 2.550 321 N HA -0.062 4.678 4.740 -0.000 0.000 0.186 321 N C 0.463 175.974 175.510 0.002 0.000 1.110 321 N CA 0.535 53.634 53.050 0.082 0.000 0.912 321 N CB -0.019 38.548 38.487 0.132 0.000 0.968 321 N HN 0.253 nan 8.380 nan 0.000 0.448 322 I N 0.053 120.613 120.570 -0.017 0.000 2.686 322 I HA 0.360 4.530 4.170 -0.000 0.000 0.295 322 I C -1.504 174.593 176.117 -0.034 0.000 1.114 322 I CA -0.993 60.291 61.300 -0.026 0.000 1.038 322 I CB 2.121 40.118 38.000 -0.005 0.000 1.238 322 I HN -0.184 nan 8.210 nan 0.000 0.420 323 L N 5.612 126.802 121.223 -0.055 0.000 2.334 323 L HA 0.699 5.039 4.340 -0.000 0.000 0.276 323 L C -0.573 176.271 176.870 -0.043 0.000 1.014 323 L CA -0.523 54.289 54.840 -0.047 0.000 0.815 323 L CB 2.011 43.986 42.059 -0.141 0.000 1.268 323 L HN 0.592 nan 8.230 nan 0.000 0.428 324 T N -0.881 113.619 114.554 -0.089 0.000 2.912 324 T HA 0.919 5.269 4.350 -0.000 0.000 0.299 324 T C -0.269 174.146 174.700 -0.474 0.000 1.052 324 T CA -0.530 61.300 62.100 -0.450 0.000 0.996 324 T CB 2.413 70.816 68.868 -0.776 0.000 1.070 324 T HN 0.989 nan 8.240 nan 0.000 0.465 325 G N 0.763 109.168 108.800 -0.659 0.000 2.321 325 G HA2 0.507 4.467 3.960 -0.000 0.000 0.296 325 G HA3 0.507 4.467 3.960 -0.000 0.000 0.296 325 G C -2.253 172.556 174.900 -0.152 0.000 1.287 325 G CA -0.927 43.924 45.100 -0.415 0.000 0.846 325 G HN 0.627 nan 8.290 nan 0.000 0.508 326 F N -0.353 119.659 119.950 0.104 0.000 2.598 326 F HA 0.910 5.437 4.527 -0.000 0.000 0.327 326 F C 0.896 176.641 175.800 -0.092 0.000 1.057 326 F CA 0.329 58.261 58.000 -0.114 0.000 0.957 326 F CB 2.434 40.903 39.000 -0.885 0.000 1.278 326 F HN 0.969 nan 8.300 nan 0.000 0.484 327 G N 0.428 109.357 108.800 0.216 0.000 2.619 327 G HA2 0.695 4.655 3.960 -0.000 0.000 0.305 327 G HA3 0.695 4.655 3.960 -0.000 0.000 0.305 327 G C -1.874 173.280 174.900 0.423 0.000 1.330 327 G CA -1.048 44.265 45.100 0.355 0.000 0.789 327 G HN 0.492 nan 8.290 nan 0.000 0.487 328 R N -1.324 119.387 120.500 0.352 0.000 2.725 328 R HA 0.683 5.023 4.340 -0.000 0.000 0.277 328 R C -1.655 174.772 176.300 0.211 0.000 0.987 328 R CA -0.780 55.489 56.100 0.282 0.000 0.901 328 R CB 2.816 33.265 30.300 0.249 0.000 1.207 328 R HN 0.335 nan 8.270 nan 0.000 0.463 329 V N 2.124 122.144 119.914 0.177 0.000 2.482 329 V HA 0.181 4.301 4.120 -0.000 0.000 0.295 329 V C 0.040 176.205 176.094 0.118 0.000 1.026 329 V CA -0.591 61.796 62.300 0.145 0.000 0.856 329 V CB 1.366 33.275 31.823 0.144 0.000 1.001 329 V HN 0.904 nan 8.190 nan 0.000 0.424 330 E N 3.530 123.792 120.200 0.103 0.000 2.440 330 E HA -0.297 4.052 4.350 -0.000 0.000 0.246 330 E C 1.272 177.927 176.600 0.092 0.000 1.165 330 E CA 0.705 57.156 56.400 0.085 0.000 0.726 330 E CB -1.144 28.598 29.700 0.071 0.000 1.271 330 E HN 1.555 nan 8.360 nan 0.000 0.397 331 G N 0.005 108.871 108.800 0.111 0.000 2.205 331 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.261 331 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.261 331 G C 0.233 175.204 174.900 0.118 0.000 0.980 331 G CA 0.576 45.753 45.100 0.128 0.000 0.632 331 G HN 0.285 nan 8.290 nan 0.000 0.533 332 R N 1.029 121.595 120.500 0.110 0.000 2.294 332 R HA 0.485 4.825 4.340 -0.000 0.000 0.319 332 R C -2.650 173.744 176.300 0.158 0.000 0.984 332 R CA -1.989 54.172 56.100 0.101 0.000 0.861 332 R CB 1.259 31.607 30.300 0.080 0.000 1.104 332 R HN 0.080 nan 8.270 nan 0.000 0.451 333 P HA -0.056 nan 4.420 nan 0.000 0.266 333 P C -0.828 176.637 177.300 0.275 0.000 1.195 333 P CA -0.065 63.206 63.100 0.286 0.000 0.768 333 P CB 0.729 32.577 31.700 0.246 0.000 0.838 334 V N 0.301 120.421 119.914 0.344 0.000 3.114 334 V HA 0.938 5.058 4.120 -0.000 0.000 0.308 334 V C -0.154 176.198 176.094 0.431 0.000 1.168 334 V CA -0.973 61.520 62.300 0.321 0.000 1.015 334 V CB 1.935 33.911 31.823 0.255 0.000 1.050 334 V HN 0.595 nan 8.190 nan 0.000 0.433 335 G N 2.201 111.223 108.800 0.370 0.000 2.417 335 G HA2 0.732 4.692 3.960 -0.000 0.000 0.334 335 G HA3 0.732 4.692 3.960 -0.000 0.000 0.334 335 G C -1.061 174.061 174.900 0.370 0.000 1.150 335 G CA -0.751 44.574 45.100 0.376 0.000 0.923 335 G HN 0.644 nan 8.290 nan 0.000 0.485 336 I N 0.814 121.626 120.570 0.404 0.000 2.509 336 I HA 0.477 4.647 4.170 -0.000 0.000 0.293 336 I C -0.582 175.673 176.117 0.229 0.000 1.020 336 I CA -0.985 60.483 61.300 0.281 0.000 1.088 336 I CB 1.646 39.712 38.000 0.111 0.000 1.267 336 I HN 0.108 nan 8.210 nan 0.000 0.430 337 V N 4.206 124.261 119.914 0.236 0.000 2.623 337 V HA 0.883 5.003 4.120 -0.000 0.000 0.304 337 V C -0.359 175.841 176.094 0.178 0.000 1.054 337 V CA -0.504 61.909 62.300 0.188 0.000 0.882 337 V CB 1.928 33.917 31.823 0.277 0.000 1.002 337 V HN 0.944 nan 8.190 nan 0.000 0.424 338 A N 3.931 126.799 122.820 0.080 0.000 2.513 338 A HA 0.680 5.000 4.320 -0.000 0.000 0.296 338 A C -0.758 176.815 177.584 -0.017 0.000 1.052 338 A CA -0.795 51.277 52.037 0.059 0.000 0.714 338 A CB 1.090 20.077 19.000 -0.022 0.000 1.279 338 A HN 0.846 nan 8.150 nan 0.000 0.397 339 N N 1.015 119.709 118.700 -0.009 0.000 2.479 339 N HA 0.372 5.112 4.740 -0.000 0.000 0.257 339 N C -0.168 175.279 175.510 -0.105 0.000 1.232 339 N CA 0.101 53.126 53.050 -0.041 0.000 0.920 339 N CB 0.506 38.974 38.487 -0.032 0.000 1.105 339 N HN 0.620 nan 8.380 nan 0.000 0.444 340 Q N 2.615 122.347 119.800 -0.113 0.000 2.456 340 Q HA 0.282 4.622 4.340 -0.000 0.000 0.252 340 Q C -2.222 173.677 176.000 -0.168 0.000 1.042 340 Q CA -2.188 53.515 55.803 -0.166 0.000 0.766 340 Q CB 1.281 29.944 28.738 -0.126 0.000 1.196 340 Q HN 0.360 nan 8.270 nan 0.000 0.504 341 P HA -0.142 nan 4.420 nan 0.000 0.225 341 P C 0.749 177.932 177.300 -0.196 0.000 1.148 341 P CA 0.632 63.594 63.100 -0.229 0.000 0.779 341 P CB 0.280 31.775 31.700 -0.342 0.000 0.780 342 M N -0.932 118.541 119.600 -0.212 0.000 2.557 342 M HA 0.017 4.497 4.480 -0.000 0.000 0.259 342 M C 0.423 176.625 176.300 -0.163 0.000 1.086 342 M CA 1.243 56.449 55.300 -0.156 0.000 1.096 342 M CB -0.477 32.053 32.600 -0.117 0.000 1.424 342 M HN -0.224 nan 8.290 nan 0.000 0.488 343 Q N -0.030 119.675 119.800 -0.157 0.000 2.327 343 Q HA 0.241 4.581 4.340 -0.000 0.000 0.270 343 Q C -0.796 175.131 176.000 -0.122 0.000 1.022 343 Q CA -0.300 55.356 55.803 -0.244 0.000 0.773 343 Q CB 0.794 29.457 28.738 -0.124 0.000 1.251 343 Q HN 0.402 nan 8.270 nan 0.000 0.457 344 F N 1.026 120.948 119.950 -0.047 0.000 3.090 344 F HA -0.350 4.177 4.527 -0.000 0.000 0.282 344 F C 1.124 176.896 175.800 -0.047 0.000 0.923 344 F CA 0.876 58.849 58.000 -0.044 0.000 0.977 344 F CB -2.383 36.589 39.000 -0.047 0.000 0.954 344 F HN 0.815 nan 8.300 nan 0.000 0.695 345 A N -1.705 121.136 122.820 0.034 0.000 3.420 345 A HA 0.078 4.398 4.320 -0.000 0.000 0.269 345 A C 2.577 180.160 177.584 -0.001 0.000 1.122 345 A CA 1.907 53.949 52.037 0.007 0.000 1.023 345 A CB -1.809 17.206 19.000 0.025 0.000 1.099 345 A HN 2.610 nan 8.150 nan 0.000 0.860 346 G N -2.254 106.555 108.800 0.015 0.000 2.153 346 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.252 346 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.252 346 G C 1.270 176.170 174.900 -0.000 0.000 0.994 346 G CA 1.264 46.359 45.100 -0.008 0.000 0.698 346 G HN 2.563 nan 8.290 nan 0.000 0.521 347 C N -0.536 118.776 119.300 0.019 0.000 2.656 347 C HA 0.748 5.208 4.460 -0.000 0.000 0.391 347 C C 1.209 176.198 174.990 -0.002 0.000 1.300 347 C CA -1.503 57.511 59.018 -0.006 0.000 2.302 347 C CB 0.341 28.088 27.740 0.012 0.000 2.655 347 C HN 0.464 nan 8.230 nan 0.000 0.656 348 L N 3.612 124.825 121.223 -0.017 0.000 2.292 348 L HA 0.444 4.784 4.340 -0.000 0.000 0.284 348 L C 0.311 177.273 176.870 0.154 0.000 1.065 348 L CA 0.354 55.233 54.840 0.065 0.000 0.806 348 L CB 0.644 42.754 42.059 0.086 0.000 1.175 348 L HN 0.928 nan 8.230 nan 0.000 0.431 349 D N 2.732 123.182 120.400 0.084 0.000 2.714 349 D HA 0.270 4.910 4.640 -0.000 0.000 0.278 349 D C 1.030 177.349 176.300 0.033 0.000 1.102 349 D CA -0.662 53.367 54.000 0.048 0.000 1.108 349 D CB 1.064 41.833 40.800 -0.052 0.000 1.444 349 D HN 0.276 nan 8.370 nan 0.000 0.568 350 I N 0.105 120.677 120.570 0.003 0.000 2.127 350 I HA -0.296 3.874 4.170 -0.000 0.000 0.241 350 I C 2.556 178.679 176.117 0.010 0.000 1.075 350 I CA 2.432 63.740 61.300 0.012 0.000 1.334 350 I CB -0.559 37.446 38.000 0.009 0.000 1.040 350 I HN 0.626 nan 8.210 nan 0.000 0.405 351 T N -0.357 114.164 114.554 -0.054 0.000 2.684 351 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 351 T C 2.000 176.604 174.700 -0.159 0.000 1.036 351 T CA 1.215 63.234 62.100 -0.134 0.000 1.148 351 T CB -0.707 67.884 68.868 -0.461 0.000 0.863 351 T HN 0.373 nan 8.240 nan 0.000 0.436 352 A N 1.568 124.300 122.820 -0.148 0.000 1.902 352 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 352 A C 2.728 180.331 177.584 0.032 0.000 1.181 352 A CA 1.988 53.981 52.037 -0.072 0.000 0.623 352 A CB -1.106 17.869 19.000 -0.043 0.000 0.818 352 A HN 0.549 nan 8.150 nan 0.000 0.443 353 S N -0.302 115.434 115.700 0.060 0.000 2.368 353 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 353 S C 1.849 176.511 174.600 0.103 0.000 1.030 353 S CA 1.542 59.802 58.200 0.100 0.000 0.999 353 S CB -0.286 62.979 63.200 0.108 0.000 0.844 353 S HN 0.712 nan 8.310 nan 0.000 0.459 354 E N 0.901 121.166 120.200 0.109 0.000 2.107 354 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 354 E C 2.114 178.819 176.600 0.175 0.000 0.982 354 E CA 0.714 57.193 56.400 0.130 0.000 0.809 354 E CB -0.069 29.718 29.700 0.145 0.000 0.756 354 E HN 0.429 nan 8.360 nan 0.000 0.459 355 K N 1.194 121.728 120.400 0.224 0.000 2.002 355 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 355 K C 2.168 178.892 176.600 0.207 0.000 1.048 355 K CA 1.410 57.856 56.287 0.265 0.000 0.930 355 K CB -0.151 32.499 32.500 0.250 0.000 0.714 355 K HN 0.060 nan 8.250 nan 0.000 0.438 356 A N 0.972 123.885 122.820 0.155 0.000 1.930 356 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 356 A C 2.349 180.016 177.584 0.139 0.000 1.175 356 A CA 1.733 53.867 52.037 0.161 0.000 0.627 356 A CB -0.832 18.247 19.000 0.131 0.000 0.815 356 A HN 0.533 nan 8.150 nan 0.000 0.443 357 A N -0.039 122.840 122.820 0.099 0.000 1.883 357 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 357 A C 2.241 179.857 177.584 0.053 0.000 1.186 357 A CA 2.022 54.088 52.037 0.048 0.000 0.624 357 A CB -0.494 18.541 19.000 0.060 0.000 0.822 357 A HN 0.534 nan 8.150 nan 0.000 0.444 358 R N -1.934 118.625 120.500 0.098 0.000 2.115 358 R HA -0.093 4.247 4.340 -0.000 0.000 0.230 358 R C 1.861 178.223 176.300 0.103 0.000 1.111 358 R CA 1.529 57.679 56.100 0.082 0.000 0.976 358 R CB -0.438 29.923 30.300 0.101 0.000 0.870 358 R HN 0.501 nan 8.270 nan 0.000 0.445 359 F N 0.097 120.071 119.950 0.040 0.000 2.146 359 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 359 F C 1.785 177.599 175.800 0.024 0.000 1.096 359 F CA 1.306 59.340 58.000 0.056 0.000 1.275 359 F CB -0.312 38.733 39.000 0.074 0.000 1.008 359 F HN -0.191 nan 8.300 nan 0.000 0.480 360 V N 1.081 120.967 119.914 -0.047 0.000 2.343 360 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 360 V C 2.472 178.463 176.094 -0.171 0.000 1.051 360 V CA 2.227 64.412 62.300 -0.191 0.000 1.036 360 V CB -0.672 30.953 31.823 -0.329 0.000 0.654 360 V HN 0.284 nan 8.190 nan 0.000 0.451 361 R N -0.426 120.010 120.500 -0.107 0.000 2.115 361 R HA -0.106 4.234 4.340 -0.000 0.000 0.230 361 R C 2.352 178.596 176.300 -0.093 0.000 1.111 361 R CA 1.728 57.782 56.100 -0.077 0.000 0.976 361 R CB -0.652 29.628 30.300 -0.035 0.000 0.870 361 R HN 0.508 nan 8.270 nan 0.000 0.445 362 T N 0.549 115.044 114.554 -0.100 0.000 2.737 362 T HA -0.165 4.185 4.350 -0.000 0.000 0.265 362 T C 2.124 176.858 174.700 0.057 0.000 1.038 362 T CA 1.280 63.367 62.100 -0.020 0.000 1.144 362 T CB -0.350 68.482 68.868 -0.060 0.000 0.866 362 T HN 0.328 nan 8.240 nan 0.000 0.434 363 C N 1.366 120.602 119.300 -0.106 0.000 2.413 363 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 363 C C 2.690 177.701 174.990 0.035 0.000 1.228 363 C CA 0.905 59.916 59.018 -0.010 0.000 1.731 363 C CB -1.067 26.572 27.740 -0.168 0.000 2.042 363 C HN 0.664 nan 8.230 nan 0.000 0.468 364 D N 0.587 120.964 120.400 -0.039 0.000 2.104 364 D HA -0.114 4.526 4.640 -0.000 0.000 0.194 364 D C 2.137 178.393 176.300 -0.074 0.000 0.994 364 D CA 1.779 55.757 54.000 -0.036 0.000 0.830 364 D CB -0.211 40.559 40.800 -0.050 0.000 0.959 364 D HN 0.399 nan 8.370 nan 0.000 0.452 365 A N -0.769 121.950 122.820 -0.167 0.000 1.978 365 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 365 A C 1.367 178.669 177.584 -0.470 0.000 1.170 365 A CA 0.934 52.748 52.037 -0.372 0.000 0.636 365 A CB -0.682 17.968 19.000 -0.583 0.000 0.810 365 A HN 0.336 nan 8.150 nan 0.000 0.448 366 F N 0.074 120.037 119.950 0.022 0.000 2.750 366 F HA 0.249 4.776 4.527 -0.000 0.000 0.297 366 F C 0.532 176.351 175.800 0.032 0.000 1.138 366 F CA -0.677 57.343 58.000 0.032 0.000 1.346 366 F CB -0.294 38.738 39.000 0.052 0.000 0.965 366 F HN 0.247 nan 8.300 nan 0.000 0.514 367 N N -0.538 118.240 118.700 0.129 0.000 2.741 367 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 367 N C -0.584 174.994 175.510 0.113 0.000 1.115 367 N CA 0.498 53.606 53.050 0.098 0.000 0.724 367 N CB -1.675 36.864 38.487 0.086 0.000 1.090 367 N HN 0.096 nan 8.380 nan 0.000 0.558 368 V N 1.181 121.181 119.914 0.144 0.000 2.383 368 V HA 0.304 4.424 4.120 -0.000 0.000 0.275 368 V C -1.750 174.427 176.094 0.138 0.000 1.036 368 V CA -1.269 61.131 62.300 0.167 0.000 0.889 368 V CB 1.469 33.447 31.823 0.257 0.000 0.985 368 V HN -0.093 nan 8.190 nan 0.000 0.459 369 P HA 0.179 nan 4.420 nan 0.000 0.269 369 P C -0.804 176.581 177.300 0.141 0.000 1.215 369 P CA 0.000 63.171 63.100 0.118 0.000 0.780 369 P CB 0.614 32.382 31.700 0.114 0.000 0.898 370 V N 3.487 123.476 119.914 0.126 0.000 2.540 370 V HA 0.366 4.486 4.120 -0.000 0.000 0.302 370 V C -0.037 176.141 176.094 0.140 0.000 1.035 370 V CA -0.548 61.846 62.300 0.157 0.000 0.873 370 V CB 1.445 33.359 31.823 0.152 0.000 0.992 370 V HN 0.315 nan 8.190 nan 0.000 0.428 371 L N 3.924 125.237 121.223 0.149 0.000 2.313 371 L HA 0.659 4.999 4.340 -0.000 0.000 0.283 371 L C -0.044 176.846 176.870 0.033 0.000 1.013 371 L CA -0.207 54.656 54.840 0.038 0.000 0.816 371 L CB 1.970 44.080 42.059 0.084 0.000 1.236 371 L HN 0.575 nan 8.230 nan 0.000 0.419 372 T N 2.537 117.006 114.554 -0.141 0.000 2.807 372 T HA 0.602 4.952 4.350 -0.000 0.000 0.279 372 T C -0.740 173.754 174.700 -0.342 0.000 0.993 372 T CA -0.316 61.740 62.100 -0.074 0.000 0.970 372 T CB 0.938 69.786 68.868 -0.032 0.000 0.950 372 T HN 0.090 nan 8.240 nan 0.000 0.441 373 F N 1.991 121.895 119.950 -0.077 0.000 2.449 373 F HA 0.562 5.089 4.527 -0.000 0.000 0.342 373 F C -0.070 175.650 175.800 -0.134 0.000 1.127 373 F CA -1.034 56.881 58.000 -0.142 0.000 0.975 373 F CB 1.429 40.335 39.000 -0.156 0.000 1.146 373 F HN 0.188 nan 8.300 nan 0.000 0.444 374 V N 2.476 122.369 119.914 -0.036 0.000 2.435 374 V HA 0.503 4.623 4.120 -0.000 0.000 0.290 374 V C -0.855 175.212 176.094 -0.045 0.000 1.030 374 V CA -0.516 61.756 62.300 -0.046 0.000 0.881 374 V CB 1.709 33.486 31.823 -0.077 0.000 0.983 374 V HN 0.697 nan 8.190 nan 0.000 0.445 375 D N 3.496 123.887 120.400 -0.014 0.000 2.826 375 D HA 0.168 4.808 4.640 -0.000 0.000 0.239 375 D C -1.577 174.729 176.300 0.010 0.000 1.329 375 D CA -0.022 53.986 54.000 0.014 0.000 0.854 375 D CB 1.545 42.377 40.800 0.054 0.000 1.494 375 D HN 0.373 nan 8.370 nan 0.000 0.540 376 V N 4.273 124.198 119.914 0.019 0.000 2.487 376 V HA 0.581 4.701 4.120 -0.000 0.000 0.298 376 V C -1.788 174.349 176.094 0.073 0.000 1.028 376 V CA -2.023 60.281 62.300 0.006 0.000 0.860 376 V CB 2.441 34.235 31.823 -0.049 0.000 0.991 376 V HN 0.169 nan 8.190 nan 0.000 0.427 377 P HA 0.269 nan 4.420 nan 0.000 0.224 377 P C 0.595 177.905 177.300 0.016 0.000 1.157 377 P CA 1.477 64.629 63.100 0.087 0.000 0.799 377 P CB 0.613 32.317 31.700 0.007 0.000 0.809 378 G N -1.005 107.734 108.800 -0.101 0.000 2.356 378 G HA2 0.220 4.180 3.960 -0.000 0.000 0.266 378 G HA3 0.220 4.180 3.960 -0.000 0.000 0.266 378 G C -1.677 172.998 174.900 -0.376 0.000 1.312 378 G CA -0.903 44.040 45.100 -0.261 0.000 0.922 378 G HN -0.019 nan 8.290 nan 0.000 0.480 379 F N 0.104 120.078 119.950 0.039 0.000 2.397 379 F HA 0.633 5.160 4.527 -0.000 0.000 0.331 379 F C 0.679 176.481 175.800 0.003 0.000 1.090 379 F CA -0.744 57.268 58.000 0.021 0.000 1.065 379 F CB 1.611 40.623 39.000 0.019 0.000 1.184 379 F HN 0.381 nan 8.300 nan 0.000 0.499 380 L N 5.124 126.448 121.223 0.168 0.000 2.477 380 L HA 0.338 4.678 4.340 -0.000 0.000 0.272 380 L C -2.494 174.414 176.870 0.062 0.000 1.157 380 L CA -1.572 53.310 54.840 0.071 0.000 0.889 380 L CB -0.335 41.733 42.059 0.014 0.000 1.158 380 L HN 0.283 nan 8.230 nan 0.000 0.473 381 P HA 0.614 nan 4.420 nan 0.000 0.275 381 P C -0.789 176.504 177.300 -0.012 0.000 1.228 381 P CA -0.341 62.770 63.100 0.018 0.000 0.786 381 P CB 1.262 32.969 31.700 0.012 0.000 0.927 382 G N 0.154 108.935 108.800 -0.031 0.000 2.270 382 G HA2 0.134 4.094 3.960 -0.000 0.000 0.295 382 G HA3 0.134 4.094 3.960 -0.000 0.000 0.295 382 G C 0.253 175.096 174.900 -0.096 0.000 1.732 382 G CA -0.698 44.368 45.100 -0.058 0.000 0.909 382 G HN 0.231 nan 8.290 nan 0.000 0.730 383 V N 1.786 121.616 119.914 -0.139 0.000 2.490 383 V HA -0.138 3.982 4.120 -0.000 0.000 0.250 383 V C 2.791 178.710 176.094 -0.293 0.000 1.061 383 V CA 2.633 64.770 62.300 -0.271 0.000 1.064 383 V CB -0.406 31.228 31.823 -0.315 0.000 0.670 383 V HN 0.915 nan 8.190 nan 0.000 0.461 384 D N -0.443 119.863 120.400 -0.156 0.000 2.144 384 D HA -0.251 4.389 4.640 -0.000 0.000 0.199 384 D C 1.923 178.199 176.300 -0.040 0.000 0.984 384 D CA 1.179 55.132 54.000 -0.078 0.000 0.834 384 D CB -0.342 40.428 40.800 -0.051 0.000 0.955 384 D HN 0.384 nan 8.370 nan 0.000 0.465 385 Q N 0.355 120.124 119.800 -0.051 0.000 2.084 385 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 385 Q C 2.108 178.100 176.000 -0.014 0.000 0.978 385 Q CA 1.396 57.182 55.803 -0.029 0.000 0.844 385 Q CB -0.285 28.436 28.738 -0.030 0.000 0.898 385 Q HN 0.411 nan 8.270 nan 0.000 0.426 386 E N -0.002 120.182 120.200 -0.025 0.000 2.046 386 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 386 E C 1.767 178.450 176.600 0.138 0.000 0.982 386 E CA 1.158 57.572 56.400 0.023 0.000 0.800 386 E CB -0.080 29.622 29.700 0.004 0.000 0.756 386 E HN 0.349 nan 8.360 nan 0.000 0.449 387 H N 0.254 119.311 119.070 -0.021 0.000 2.457 387 H HA 0.001 4.557 4.556 -0.000 0.000 0.294 387 H C 0.881 176.199 175.328 -0.017 0.000 1.064 387 H CA 1.382 57.419 56.048 -0.018 0.000 1.330 387 H CB -0.065 29.689 29.762 -0.015 0.000 1.395 387 H HN 0.207 nan 8.280 nan 0.000 0.541 388 D N -0.747 119.717 120.400 0.107 0.000 2.349 388 D HA 0.117 4.757 4.640 -0.000 0.000 0.224 388 D C 1.088 177.406 176.300 0.029 0.000 1.029 388 D CA 0.841 54.873 54.000 0.052 0.000 0.879 388 D CB 0.144 40.965 40.800 0.034 0.000 0.906 388 D HN 0.510 nan 8.370 nan 0.000 0.528 389 G N 1.460 110.277 108.800 0.028 0.000 2.207 389 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.216 389 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.216 389 G C 0.893 175.788 174.900 -0.009 0.000 1.053 389 G CA 0.191 45.294 45.100 0.006 0.000 0.764 389 G HN 0.423 nan 8.290 nan 0.000 0.495 390 I N -0.228 120.332 120.570 -0.018 0.000 2.335 390 I HA -0.146 4.024 4.170 -0.000 0.000 0.251 390 I C 2.583 178.657 176.117 -0.072 0.000 1.129 390 I CA 1.590 62.865 61.300 -0.043 0.000 1.402 390 I CB -0.086 37.876 38.000 -0.062 0.000 1.069 390 I HN 0.512 nan 8.210 nan 0.000 0.424 391 I N 1.279 121.808 120.570 -0.068 0.000 2.163 391 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 391 I C 2.711 178.799 176.117 -0.047 0.000 1.085 391 I CA 1.931 63.186 61.300 -0.074 0.000 1.347 391 I CB -0.424 37.545 38.000 -0.053 0.000 1.044 391 I HN 0.355 nan 8.210 nan 0.000 0.408 392 R N 0.923 121.404 120.500 -0.031 0.000 2.161 392 R HA 0.009 4.349 4.340 -0.000 0.000 0.213 392 R C 2.134 178.423 176.300 -0.019 0.000 1.055 392 R CA 0.557 56.643 56.100 -0.023 0.000 0.996 392 R CB -0.309 29.977 30.300 -0.024 0.000 0.901 392 R HN 0.277 nan 8.270 nan 0.000 0.456 393 R N 0.704 121.196 120.500 -0.013 0.000 2.112 393 R HA 0.117 4.457 4.340 -0.000 0.000 0.216 393 R C 2.406 178.717 176.300 0.018 0.000 1.080 393 R CA 0.997 57.098 56.100 0.002 0.000 0.996 393 R CB -0.205 30.101 30.300 0.011 0.000 0.902 393 R HN 0.390 nan 8.270 nan 0.000 0.449 394 G N 0.966 109.768 108.800 0.004 0.000 2.443 394 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 394 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 394 G C 1.474 176.406 174.900 0.054 0.000 1.131 394 G CA 0.616 45.732 45.100 0.027 0.000 0.775 394 G HN 0.363 nan 8.290 nan 0.000 0.547 395 A N 0.659 123.498 122.820 0.031 0.000 2.121 395 A HA 0.094 4.414 4.320 -0.000 0.000 0.218 395 A C 2.204 179.854 177.584 0.112 0.000 1.154 395 A CA 1.516 53.594 52.037 0.068 0.000 0.679 395 A CB -0.243 18.787 19.000 0.049 0.000 0.795 395 A HN 0.393 nan 8.150 nan 0.000 0.458 396 K N -0.443 120.001 120.400 0.074 0.000 2.147 396 K HA 0.005 4.325 4.320 -0.000 0.000 0.205 396 K C 1.733 178.411 176.600 0.130 0.000 1.049 396 K CA 0.987 57.317 56.287 0.070 0.000 0.936 396 K CB -0.245 32.266 32.500 0.019 0.000 0.722 396 K HN 0.469 nan 8.250 nan 0.000 0.446 397 L N 0.844 122.148 121.223 0.134 0.000 2.072 397 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 397 L C 2.174 179.175 176.870 0.218 0.000 1.079 397 L CA 1.071 56.001 54.840 0.150 0.000 0.752 397 L CB -0.114 42.057 42.059 0.188 0.000 0.906 397 L HN 0.204 nan 8.230 nan 0.000 0.436 398 I N -1.081 119.621 120.570 0.221 0.000 2.226 398 I HA -0.371 3.799 4.170 -0.000 0.000 0.245 398 I C 2.363 178.597 176.117 0.195 0.000 1.100 398 I CA 1.497 62.921 61.300 0.208 0.000 1.374 398 I CB -0.288 37.801 38.000 0.149 0.000 1.057 398 I HN 0.164 nan 8.210 nan 0.000 0.413 399 F N 1.462 121.447 119.950 0.058 0.000 2.095 399 F HA -0.281 4.246 4.527 -0.000 0.000 0.298 399 F C 2.532 178.343 175.800 0.018 0.000 1.104 399 F CA 1.612 59.632 58.000 0.033 0.000 1.232 399 F CB -0.203 38.807 39.000 0.017 0.000 0.987 399 F HN 0.017 nan 8.300 nan 0.000 0.475 400 A N -0.562 122.407 122.820 0.248 0.000 1.883 400 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 400 A C 1.976 179.538 177.584 -0.036 0.000 1.186 400 A CA 1.949 54.026 52.037 0.067 0.000 0.624 400 A CB -1.506 17.451 19.000 -0.072 0.000 0.822 400 A HN 0.520 nan 8.150 nan 0.000 0.444 401 Y N -0.366 119.955 120.300 0.034 0.000 2.242 401 Y HA 0.019 4.569 4.550 -0.000 0.000 0.291 401 Y C 2.877 178.744 175.900 -0.055 0.000 1.137 401 Y CA 0.701 58.794 58.100 -0.010 0.000 1.181 401 Y CB -0.541 37.908 38.460 -0.018 0.000 0.989 401 Y HN 0.323 nan 8.280 nan 0.000 0.527 402 A N -0.368 122.492 122.820 0.067 0.000 2.014 402 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 402 A C 2.137 179.648 177.584 -0.122 0.000 1.163 402 A CA 1.600 53.603 52.037 -0.055 0.000 0.652 402 A CB -0.513 18.412 19.000 -0.125 0.000 0.808 402 A HN 0.524 nan 8.150 nan 0.000 0.449 403 E N 0.143 120.250 120.200 -0.155 0.000 2.170 403 E HA 0.177 4.527 4.350 -0.000 0.000 0.191 403 E C 0.964 177.530 176.600 -0.058 0.000 0.981 403 E CA 0.388 56.697 56.400 -0.152 0.000 0.830 403 E CB -0.164 29.454 29.700 -0.136 0.000 0.775 403 E HN 0.516 nan 8.360 nan 0.000 0.470 404 A N 0.846 123.653 122.820 -0.023 0.000 2.540 404 A HA 0.041 4.361 4.320 -0.000 0.000 0.239 404 A C 0.907 178.490 177.584 -0.002 0.000 1.061 404 A CA 0.809 52.843 52.037 -0.005 0.000 0.758 404 A CB 0.202 19.215 19.000 0.021 0.000 0.991 404 A HN 0.382 nan 8.150 nan 0.000 0.502 405 T N -0.544 114.007 114.554 -0.004 0.000 3.040 405 T HA 0.330 4.680 4.350 -0.000 0.000 0.266 405 T C 0.505 175.211 174.700 0.009 0.000 1.005 405 T CA 0.472 62.571 62.100 -0.002 0.000 0.906 405 T CB -1.159 67.702 68.868 -0.011 0.000 1.082 405 T HN 1.118 nan 8.240 nan 0.000 0.531 406 V N -0.630 119.294 119.914 0.017 0.000 3.133 406 V HA 0.519 4.639 4.120 -0.000 0.000 0.305 406 V C -2.776 173.341 176.094 0.038 0.000 1.084 406 V CA -2.616 59.703 62.300 0.031 0.000 1.089 406 V CB -0.167 31.682 31.823 0.042 0.000 1.073 406 V HN -0.049 nan 8.190 nan 0.000 0.477 407 P HA 0.322 nan 4.420 nan 0.000 0.265 407 P C -0.869 176.462 177.300 0.052 0.000 1.193 407 P CA 0.330 63.455 63.100 0.042 0.000 0.765 407 P CB 0.211 31.939 31.700 0.047 0.000 0.823 408 L N 4.548 125.793 121.223 0.038 0.000 2.404 408 L HA 0.515 4.855 4.340 -0.000 0.000 0.272 408 L C -0.286 176.581 176.870 -0.005 0.000 0.980 408 L CA -0.365 54.500 54.840 0.041 0.000 0.836 408 L CB 1.289 43.380 42.059 0.052 0.000 1.238 408 L HN 0.250 nan 8.230 nan 0.000 0.408 409 I N 2.271 122.829 120.570 -0.021 0.000 2.436 409 I HA 0.457 4.627 4.170 -0.000 0.000 0.289 409 I C -0.421 175.605 176.117 -0.152 0.000 1.010 409 I CA -0.224 61.034 61.300 -0.071 0.000 1.098 409 I CB 2.412 40.384 38.000 -0.046 0.000 1.266 409 I HN 0.487 nan 8.210 nan 0.000 0.434 410 T N 5.366 119.805 114.554 -0.192 0.000 2.861 410 T HA 0.585 4.935 4.350 -0.000 0.000 0.287 410 T C -0.598 173.926 174.700 -0.294 0.000 1.003 410 T CA -0.513 61.426 62.100 -0.268 0.000 0.977 410 T CB 2.239 70.956 68.868 -0.253 0.000 0.996 410 T HN 0.173 nan 8.240 nan 0.000 0.448 411 V N 4.028 123.696 119.914 -0.410 0.000 2.531 411 V HA 0.484 4.604 4.120 -0.000 0.000 0.301 411 V C -0.414 175.456 176.094 -0.373 0.000 1.034 411 V CA -0.825 61.244 62.300 -0.385 0.000 0.865 411 V CB 1.699 33.252 31.823 -0.450 0.000 0.995 411 V HN 0.822 nan 8.190 nan 0.000 0.424 412 I N 4.651 125.027 120.570 -0.322 0.000 2.291 412 I HA 0.185 4.355 4.170 -0.000 0.000 0.290 412 I C 1.716 177.558 176.117 -0.459 0.000 1.050 412 I CA -0.074 61.055 61.300 -0.285 0.000 1.245 412 I CB 1.659 39.558 38.000 -0.168 0.000 1.405 412 I HN 0.883 nan 8.210 nan 0.000 0.478 413 T N 3.114 117.319 114.554 -0.582 0.000 2.701 413 T HA -0.122 4.228 4.350 -0.000 0.000 0.263 413 T C 1.695 176.280 174.700 -0.192 0.000 1.040 413 T CA 1.140 62.796 62.100 -0.740 0.000 1.147 413 T CB 0.194 68.619 68.868 -0.738 0.000 0.865 413 T HN 0.629 nan 8.240 nan 0.000 0.426 414 R N 0.255 120.713 120.500 -0.069 0.000 3.749 414 R HA 0.350 4.690 4.340 -0.000 0.000 0.142 414 R C -0.337 175.972 176.300 0.014 0.000 0.750 414 R CA -0.272 55.846 56.100 0.030 0.000 1.004 414 R CB 0.756 31.143 30.300 0.145 0.000 1.509 414 R HN 0.135 nan 8.270 nan 0.000 0.494 415 K N 0.435 120.862 120.400 0.045 0.000 2.164 415 K HA 0.600 4.920 4.320 -0.000 0.000 0.258 415 K C -1.408 175.163 176.600 -0.048 0.000 0.951 415 K CA -0.279 56.046 56.287 0.064 0.000 0.844 415 K CB 2.114 34.777 32.500 0.272 0.000 1.099 415 K HN 0.319 nan 8.250 nan 0.000 0.435 416 A N 3.697 126.361 122.820 -0.260 0.000 3.124 416 A HA 0.379 4.699 4.320 -0.000 0.000 0.295 416 A C -1.481 175.892 177.584 -0.352 0.000 1.199 416 A CA -0.659 51.276 52.037 -0.170 0.000 0.845 416 A CB -0.082 18.847 19.000 -0.118 0.000 1.381 416 A HN 0.556 nan 8.150 nan 0.000 0.537 417 F N 0.983 120.939 119.950 0.011 0.000 2.450 417 F HA 0.647 5.174 4.527 -0.000 0.000 0.332 417 F C 1.430 177.255 175.800 0.042 0.000 1.093 417 F CA 0.748 58.755 58.000 0.013 0.000 1.003 417 F CB 1.690 40.688 39.000 -0.003 0.000 1.151 417 F HN 0.940 nan 8.300 nan 0.000 0.474 418 G N 1.805 110.761 108.800 0.260 0.000 2.602 418 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.306 418 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.306 418 G C 1.312 176.354 174.900 0.235 0.000 1.301 418 G CA 0.243 45.480 45.100 0.228 0.000 0.974 418 G HN 1.240 nan 8.290 nan 0.000 0.547 419 G N -0.297 108.669 108.800 0.277 0.000 2.475 419 G HA2 0.144 4.104 3.960 -0.000 0.000 0.220 419 G HA3 0.144 4.104 3.960 -0.000 0.000 0.220 419 G C 2.171 177.215 174.900 0.239 0.000 1.125 419 G CA 2.997 48.299 45.100 0.336 0.000 0.755 419 G HN 1.863 nan 8.290 nan 0.000 0.565 420 A N 0.277 123.041 122.820 -0.093 0.000 1.908 420 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 420 A C 2.182 179.732 177.584 -0.057 0.000 1.181 420 A CA 1.852 53.707 52.037 -0.303 0.000 0.627 420 A CB -0.708 17.956 19.000 -0.560 0.000 0.818 420 A HN 0.609 nan 8.150 nan 0.000 0.445 421 Y N 0.894 121.150 120.300 -0.072 0.000 2.128 421 Y HA -0.194 4.356 4.550 -0.000 0.000 0.284 421 Y C 2.144 178.022 175.900 -0.036 0.000 1.154 421 Y CA 1.974 60.035 58.100 -0.065 0.000 1.149 421 Y CB -0.642 37.782 38.460 -0.060 0.000 0.976 421 Y HN 0.048 nan 8.280 nan 0.000 0.505 422 V N -0.428 119.265 119.914 -0.368 0.000 2.358 422 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 422 V C 2.460 178.407 176.094 -0.245 0.000 1.047 422 V CA 1.702 63.761 62.300 -0.401 0.000 1.035 422 V CB -0.957 30.797 31.823 -0.116 0.000 0.658 422 V HN 0.385 nan 8.190 nan 0.000 0.452 423 V N -0.867 119.003 119.914 -0.073 0.000 2.343 423 V HA -0.158 3.961 4.120 -0.000 0.000 0.247 423 V C 1.621 177.677 176.094 -0.063 0.000 1.051 423 V CA 1.125 63.440 62.300 0.025 0.000 1.036 423 V CB -0.582 31.349 31.823 0.180 0.000 0.654 423 V HN 0.437 nan 8.190 nan 0.000 0.451 424 M N 1.142 120.650 119.600 -0.153 0.000 3.596 424 M HA 0.242 4.721 4.480 -0.000 0.000 0.212 424 M C 1.302 177.275 176.300 -0.545 0.000 1.519 424 M CA 0.456 55.626 55.300 -0.217 0.000 1.670 424 M CB -1.292 31.239 32.600 -0.115 0.000 1.113 424 M HN 0.472 nan 8.290 nan 0.000 0.565 425 G N 2.139 110.252 108.800 -1.146 0.000 2.366 425 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.299 425 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.299 425 G C 0.457 174.976 174.900 -0.636 0.000 1.020 425 G CA 0.584 44.914 45.100 -1.283 0.000 1.026 425 G HN 0.752 nan 8.290 nan 0.000 0.512 426 S N -1.297 114.067 115.700 -0.560 0.000 2.600 426 S HA 0.401 4.871 4.470 -0.000 0.000 0.265 426 S C 1.486 175.801 174.600 -0.475 0.000 1.325 426 S CA 0.339 58.208 58.200 -0.552 0.000 1.002 426 S CB 1.650 64.419 63.200 -0.719 0.000 0.921 426 S HN 0.533 nan 8.310 nan 0.000 0.554 427 K N 0.082 120.147 120.400 -0.559 0.000 2.147 427 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 427 K C 1.649 177.986 176.600 -0.437 0.000 1.049 427 K CA 1.318 57.336 56.287 -0.449 0.000 0.936 427 K CB -0.352 31.912 32.500 -0.394 0.000 0.722 427 K HN 0.756 nan 8.250 nan 0.000 0.446 428 H N -0.102 118.829 119.070 -0.231 0.000 2.489 428 H HA -0.099 4.457 4.556 -0.000 0.000 0.293 428 H C 1.605 176.840 175.328 -0.155 0.000 1.066 428 H CA 0.942 56.865 56.048 -0.207 0.000 1.305 428 H CB 0.120 29.726 29.762 -0.260 0.000 1.386 428 H HN 0.161 nan 8.280 nan 0.000 0.551 429 L N -0.819 120.340 121.223 -0.107 0.000 2.477 429 L HA 0.205 4.545 4.340 -0.000 0.000 0.220 429 L C 1.810 178.640 176.870 -0.067 0.000 1.106 429 L CA 1.158 55.954 54.840 -0.074 0.000 0.851 429 L CB 0.323 42.337 42.059 -0.075 0.000 0.994 429 L HN 0.506 nan 8.230 nan 0.000 0.462 430 G N -1.863 106.878 108.800 -0.098 0.000 2.273 430 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.162 430 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.162 430 G C 0.434 175.291 174.900 -0.072 0.000 1.006 430 G CA -0.286 44.773 45.100 -0.068 0.000 0.704 430 G HN 0.450 nan 8.290 nan 0.000 0.487 431 A N 0.665 123.412 122.820 -0.122 0.000 2.540 431 A HA 0.473 4.793 4.320 -0.000 0.000 0.239 431 A C 1.247 178.778 177.584 -0.088 0.000 1.061 431 A CA 1.059 53.027 52.037 -0.115 0.000 0.758 431 A CB 0.285 19.169 19.000 -0.194 0.000 0.991 431 A HN 0.218 nan 8.150 nan 0.000 0.502 432 D N 1.134 121.503 120.400 -0.052 0.000 2.183 432 D HA 0.071 4.711 4.640 -0.000 0.000 0.205 432 D C 0.146 176.426 176.300 -0.032 0.000 0.962 432 D CA 1.251 55.231 54.000 -0.033 0.000 0.849 432 D CB 0.081 40.874 40.800 -0.011 0.000 0.978 432 D HN 0.473 nan 8.370 nan 0.000 0.488 433 L N 0.972 122.171 121.223 -0.041 0.000 2.439 433 L HA 0.343 4.683 4.340 -0.000 0.000 0.270 433 L C -1.156 175.671 176.870 -0.071 0.000 0.972 433 L CA -0.665 54.155 54.840 -0.034 0.000 0.836 433 L CB 1.982 44.040 42.059 -0.001 0.000 1.255 433 L HN -0.308 nan 8.230 nan 0.000 0.404 434 N N 4.187 122.841 118.700 -0.076 0.000 2.442 434 N HA 0.691 5.431 4.740 -0.000 0.000 0.274 434 N C -1.301 174.153 175.510 -0.094 0.000 1.002 434 N CA -0.410 52.579 53.050 -0.102 0.000 0.910 434 N CB 1.883 40.308 38.487 -0.103 0.000 1.244 434 N HN 0.356 nan 8.380 nan 0.000 0.492 435 L N 1.076 122.225 121.223 -0.123 0.000 2.330 435 L HA 0.963 5.303 4.340 -0.000 0.000 0.271 435 L C -0.231 176.568 176.870 -0.118 0.000 1.013 435 L CA -1.141 53.622 54.840 -0.128 0.000 0.816 435 L CB 1.769 43.737 42.059 -0.152 0.000 1.287 435 L HN 0.481 nan 8.230 nan 0.000 0.435 436 A N 0.743 123.517 122.820 -0.076 0.000 2.455 436 A HA 0.688 5.008 4.320 -0.000 0.000 0.300 436 A C -1.628 176.017 177.584 0.102 0.000 1.040 436 A CA -0.517 51.479 52.037 -0.068 0.000 0.697 436 A CB 0.951 19.875 19.000 -0.126 0.000 1.265 436 A HN 0.530 nan 8.150 nan 0.000 0.407 437 W N 1.639 122.866 121.300 -0.122 0.000 2.086 437 W HA 0.446 5.106 4.660 0.000 0.000 0.355 437 W C -1.963 174.479 176.519 -0.128 0.000 1.313 437 W CA -1.711 55.573 57.345 -0.103 0.000 1.358 437 W CB -0.201 29.213 29.460 -0.077 0.000 1.166 437 W HN 0.483 nan 8.180 nan 0.000 0.630 438 P HA -0.099 nan 4.420 nan 0.000 0.226 438 P C 1.237 178.572 177.300 0.058 0.000 1.153 438 P CA 1.906 65.040 63.100 0.055 0.000 0.777 438 P CB 0.026 31.777 31.700 0.086 0.000 0.794 439 T N -3.935 110.689 114.554 0.117 0.000 3.129 439 T HA 0.327 4.677 4.350 -0.000 0.000 0.251 439 T C 0.945 175.678 174.700 0.055 0.000 1.117 439 T CA -0.205 61.956 62.100 0.102 0.000 1.034 439 T CB -0.559 68.401 68.868 0.152 0.000 0.968 439 T HN -0.002 nan 8.240 nan 0.000 0.526 440 A N 1.554 124.376 122.820 0.005 0.000 2.462 440 A HA 0.446 4.766 4.320 -0.000 0.000 0.243 440 A C 0.117 177.623 177.584 -0.129 0.000 1.076 440 A CA -0.455 51.533 52.037 -0.082 0.000 0.773 440 A CB 0.169 19.088 19.000 -0.134 0.000 1.010 440 A HN 0.566 nan 8.150 nan 0.000 0.493 441 Q N 1.689 121.380 119.800 -0.183 0.000 2.464 441 Q HA 0.433 4.773 4.340 -0.000 0.000 0.256 441 Q C -1.367 174.296 176.000 -0.562 0.000 1.020 441 Q CA 0.093 55.735 55.803 -0.269 0.000 0.716 441 Q CB 1.493 30.158 28.738 -0.123 0.000 1.230 441 Q HN 0.707 nan 8.270 nan 0.000 0.494 442 I N 2.027 122.314 120.570 -0.472 0.000 2.330 442 I HA 0.701 4.871 4.170 -0.000 0.000 0.286 442 I C -0.215 175.616 176.117 -0.476 0.000 1.025 442 I CA -0.491 60.466 61.300 -0.572 0.000 1.197 442 I CB 1.014 38.699 38.000 -0.527 0.000 1.358 442 I HN 0.499 nan 8.210 nan 0.000 0.467 443 A N 4.629 127.141 122.820 -0.514 0.000 2.594 443 A HA 0.474 4.794 4.320 -0.000 0.000 0.291 443 A C 0.280 177.889 177.584 0.043 0.000 1.105 443 A CA -0.459 51.489 52.037 -0.149 0.000 0.694 443 A CB 1.663 20.709 19.000 0.078 0.000 1.291 443 A HN 0.387 nan 8.150 nan 0.000 0.410 444 V N 0.827 120.830 119.914 0.148 0.000 2.490 444 V HA 0.074 4.194 4.120 -0.000 0.000 0.250 444 V C 0.643 176.890 176.094 0.254 0.000 1.061 444 V CA 3.055 65.461 62.300 0.177 0.000 1.064 444 V CB -0.828 31.085 31.823 0.150 0.000 0.670 444 V HN 1.043 nan 8.190 nan 0.000 0.461 445 M N -2.683 117.125 119.600 0.346 0.000 3.147 445 M HA 0.569 5.049 4.480 -0.000 0.000 0.276 445 M C 0.012 176.429 176.300 0.195 0.000 1.211 445 M CA -0.267 55.189 55.300 0.260 0.000 0.820 445 M CB 0.903 33.556 32.600 0.089 0.000 1.621 445 M HN -0.031 nan 8.290 nan 0.000 0.507 446 G N 0.048 108.752 108.800 -0.160 0.000 2.554 446 G HA2 0.443 4.403 3.960 -0.000 0.000 0.238 446 G HA3 0.443 4.403 3.960 -0.000 0.000 0.238 446 G C 0.765 175.601 174.900 -0.107 0.000 1.259 446 G CA -0.017 44.934 45.100 -0.247 0.000 0.843 446 G HN 1.035 nan 8.290 nan 0.000 0.582 447 A N 0.614 123.418 122.820 -0.028 0.000 1.883 447 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 447 A C 2.239 179.696 177.584 -0.211 0.000 1.186 447 A CA 2.129 54.102 52.037 -0.108 0.000 0.624 447 A CB -0.685 18.405 19.000 0.150 0.000 0.822 447 A HN 0.748 nan 8.150 nan 0.000 0.444 448 Q N -0.828 118.904 119.800 -0.113 0.000 2.050 448 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 448 Q C 2.091 178.021 176.000 -0.118 0.000 0.980 448 Q CA 1.743 57.490 55.803 -0.094 0.000 0.840 448 Q CB -0.536 28.163 28.738 -0.065 0.000 0.898 448 Q HN 0.595 nan 8.270 nan 0.000 0.424 449 G N -0.044 108.679 108.800 -0.128 0.000 2.432 449 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 449 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 449 G C 1.393 176.206 174.900 -0.146 0.000 1.135 449 G CA 0.830 45.863 45.100 -0.112 0.000 0.767 449 G HN 0.492 nan 8.290 nan 0.000 0.550 450 A N 0.698 123.365 122.820 -0.255 0.000 1.873 450 A HA 0.062 4.382 4.320 -0.000 0.000 0.215 450 A C 2.714 180.116 177.584 -0.304 0.000 1.186 450 A CA 2.410 54.229 52.037 -0.363 0.000 0.616 450 A CB -0.885 17.607 19.000 -0.847 0.000 0.823 450 A HN 0.881 nan 8.150 nan 0.000 0.442 451 V N -1.332 118.416 119.914 -0.276 0.000 2.490 451 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 451 V C 1.729 177.822 176.094 -0.000 0.000 1.061 451 V CA 2.244 64.517 62.300 -0.045 0.000 1.064 451 V CB -1.190 30.658 31.823 0.041 0.000 0.670 451 V HN 0.472 nan 8.190 nan 0.000 0.461 452 N N 0.740 119.415 118.700 -0.042 0.000 2.364 452 N HA -0.007 4.733 4.740 -0.000 0.000 0.183 452 N C 1.693 177.188 175.510 -0.025 0.000 1.022 452 N CA 2.087 55.126 53.050 -0.020 0.000 0.883 452 N CB -0.159 38.309 38.487 -0.031 0.000 0.965 452 N HN 0.598 nan 8.380 nan 0.000 0.438 453 I N 0.183 120.720 120.570 -0.056 0.000 2.499 453 I HA -0.065 4.105 4.170 -0.000 0.000 0.243 453 I C 2.009 178.073 176.117 -0.088 0.000 1.085 453 I CA 0.267 61.533 61.300 -0.058 0.000 1.422 453 I CB -0.242 37.723 38.000 -0.059 0.000 1.165 453 I HN -0.077 nan 8.210 nan 0.000 0.440 454 L N 0.601 121.729 121.223 -0.158 0.000 2.129 454 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 454 L C 1.132 177.729 176.870 -0.454 0.000 1.087 454 L CA 1.281 55.932 54.840 -0.316 0.000 0.757 454 L CB -0.522 41.283 42.059 -0.423 0.000 0.896 454 L HN 0.424 nan 8.230 nan 0.000 0.434 455 H N -1.472 117.597 119.070 -0.003 0.000 2.534 455 H HA 0.194 4.750 4.556 -0.000 0.000 0.250 455 H C 1.093 176.419 175.328 -0.003 0.000 1.256 455 H CA -0.117 55.933 56.048 0.003 0.000 1.000 455 H CB 0.400 30.167 29.762 0.008 0.000 1.801 455 H HN 0.207 nan 8.280 nan 0.000 0.569 456 R N 0.718 121.254 120.500 0.060 0.000 2.153 456 R HA 0.037 4.377 4.340 -0.000 0.000 0.218 456 R C 1.648 177.972 176.300 0.041 0.000 1.072 456 R CA 0.732 56.856 56.100 0.040 0.000 0.990 456 R CB 0.369 30.676 30.300 0.013 0.000 0.889 456 R HN 0.174 nan 8.270 nan 0.000 0.452 457 R N -1.248 119.280 120.500 0.046 0.000 2.066 457 R HA -0.021 4.319 4.340 -0.000 0.000 0.224 457 R C 2.181 178.510 176.300 0.048 0.000 1.122 457 R CA 1.563 57.687 56.100 0.039 0.000 0.974 457 R CB -0.416 29.904 30.300 0.033 0.000 0.871 457 R HN 0.104 nan 8.270 nan 0.000 0.435 458 T N 0.844 115.443 114.554 0.076 0.000 3.007 458 T HA -0.033 4.317 4.350 -0.000 0.000 0.270 458 T C 1.592 176.314 174.700 0.036 0.000 1.107 458 T CA 0.732 62.869 62.100 0.062 0.000 1.118 458 T CB 0.006 68.927 68.868 0.089 0.000 0.889 458 T HN 0.184 nan 8.240 nan 0.000 0.506 459 I N -0.279 120.318 120.570 0.044 0.000 3.228 459 I HA 0.233 4.403 4.170 -0.000 0.000 0.279 459 I C 2.317 178.445 176.117 0.018 0.000 1.221 459 I CA 0.533 61.848 61.300 0.025 0.000 1.458 459 I CB -0.234 37.785 38.000 0.031 0.000 1.105 459 I HN 0.258 nan 8.210 nan 0.000 0.445 460 A N 0.338 123.170 122.820 0.021 0.000 1.841 460 A HA -0.136 4.184 4.320 -0.000 0.000 0.214 460 A C 0.689 178.280 177.584 0.012 0.000 1.195 460 A CA 1.081 53.127 52.037 0.015 0.000 0.611 460 A CB -0.761 18.248 19.000 0.015 0.000 0.835 460 A HN 0.408 nan 8.150 nan 0.000 0.443 461 D N -0.815 119.593 120.400 0.014 0.000 2.423 461 D HA 0.411 5.051 4.640 -0.000 0.000 0.238 461 D C 0.534 176.838 176.300 0.007 0.000 1.142 461 D CA 1.428 55.434 54.000 0.011 0.000 0.884 461 D CB 0.227 41.035 40.800 0.013 0.000 1.199 461 D HN 0.910 nan 8.370 nan 0.000 0.438 462 A N 1.901 124.724 122.820 0.005 0.000 2.578 462 A HA -0.090 4.230 4.320 -0.000 0.000 0.298 462 A C 1.594 179.178 177.584 0.001 0.000 1.472 462 A CA 0.762 52.800 52.037 0.002 0.000 0.734 462 A CB -1.893 17.107 19.000 0.000 0.000 1.091 462 A HN 0.780 nan 8.150 nan 0.000 0.426 463 G N -0.759 108.042 108.800 0.002 0.000 2.776 463 G HA2 0.126 4.086 3.960 -0.000 0.000 0.209 463 G HA3 0.126 4.086 3.960 -0.000 0.000 0.209 463 G C 0.625 175.524 174.900 -0.000 0.000 1.145 463 G CA 1.125 46.226 45.100 0.001 0.000 0.791 463 G HN 0.699 nan 8.290 nan 0.000 0.530 464 D N 0.457 120.857 120.400 -0.001 0.000 2.312 464 D HA 0.016 4.656 4.640 -0.000 0.000 0.211 464 D C 0.736 177.035 176.300 -0.002 0.000 0.964 464 D CA 0.802 54.801 54.000 -0.001 0.000 0.877 464 D CB 0.294 41.093 40.800 -0.001 0.000 0.924 464 D HN 0.242 nan 8.370 nan 0.000 0.515 465 D N -0.748 119.650 120.400 -0.003 0.000 2.837 465 D HA 0.223 4.863 4.640 -0.000 0.000 0.340 465 D C 1.161 177.457 176.300 -0.006 0.000 1.451 465 D CA -0.057 53.940 54.000 -0.005 0.000 0.798 465 D CB 0.774 41.570 40.800 -0.007 0.000 1.169 465 D HN 0.026 nan 8.370 nan 0.000 0.449 466 A N 1.744 124.561 122.820 -0.004 0.000 1.859 466 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 466 A C 2.106 179.687 177.584 -0.006 0.000 1.198 466 A CA 1.944 53.978 52.037 -0.004 0.000 0.629 466 A CB -0.506 18.493 19.000 -0.001 0.000 0.830 466 A HN 0.402 nan 8.150 nan 0.000 0.446 467 E N -0.325 119.872 120.200 -0.005 0.000 2.265 467 E HA 0.032 4.382 4.350 -0.000 0.000 0.196 467 E C 1.802 178.398 176.600 -0.006 0.000 0.996 467 E CA 1.107 57.504 56.400 -0.005 0.000 0.832 467 E CB -0.301 29.397 29.700 -0.004 0.000 0.756 467 E HN 0.517 nan 8.360 nan 0.000 0.491 468 A N 1.156 123.971 122.820 -0.008 0.000 1.903 468 A HA -0.013 4.307 4.320 -0.000 0.000 0.213 468 A C 2.362 179.937 177.584 -0.015 0.000 1.185 468 A CA 1.362 53.394 52.037 -0.009 0.000 0.628 468 A CB -0.633 18.362 19.000 -0.008 0.000 0.830 468 A HN 0.256 nan 8.150 nan 0.000 0.446 469 T N -0.500 114.043 114.554 -0.019 0.000 2.821 469 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 469 T C 2.076 176.751 174.700 -0.041 0.000 1.046 469 T CA 1.483 63.563 62.100 -0.034 0.000 1.139 469 T CB -0.201 68.647 68.868 -0.033 0.000 0.871 469 T HN 0.546 nan 8.240 nan 0.000 0.454 470 R N 1.008 121.493 120.500 -0.025 0.000 2.066 470 R HA 0.014 4.354 4.340 -0.000 0.000 0.232 470 R C 2.616 178.909 176.300 -0.011 0.000 1.131 470 R CA 1.376 57.466 56.100 -0.017 0.000 0.955 470 R CB -0.482 29.814 30.300 -0.006 0.000 0.851 470 R HN 0.334 nan 8.270 nan 0.000 0.432 471 A N 1.506 124.321 122.820 -0.007 0.000 1.940 471 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 471 A C 2.237 179.823 177.584 0.003 0.000 1.176 471 A CA 1.341 53.378 52.037 0.000 0.000 0.631 471 A CB -0.644 18.356 19.000 0.000 0.000 0.814 471 A HN 0.286 nan 8.150 nan 0.000 0.446 472 R N -0.731 119.764 120.500 -0.009 0.000 2.090 472 R HA -0.045 4.295 4.340 -0.000 0.000 0.228 472 R C 1.776 178.070 176.300 -0.010 0.000 1.110 472 R CA 1.222 57.316 56.100 -0.010 0.000 0.973 472 R CB -0.546 29.741 30.300 -0.022 0.000 0.869 472 R HN 0.425 nan 8.270 nan 0.000 0.440 473 L N 0.876 122.077 121.223 -0.035 0.000 2.093 473 L HA -0.052 4.287 4.340 -0.000 0.000 0.208 473 L C 2.309 179.219 176.870 0.067 0.000 1.085 473 L CA 1.312 56.125 54.840 -0.045 0.000 0.755 473 L CB -0.548 41.418 42.059 -0.155 0.000 0.904 473 L HN 0.141 nan 8.230 nan 0.000 0.435 474 I N -1.139 119.464 120.570 0.055 0.000 2.202 474 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 474 I C 2.578 178.767 176.117 0.121 0.000 1.091 474 I CA 1.025 62.376 61.300 0.085 0.000 1.368 474 I CB -0.368 37.655 38.000 0.038 0.000 1.058 474 I HN 0.400 nan 8.210 nan 0.000 0.410 475 Q N 1.612 121.459 119.800 0.078 0.000 2.096 475 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 475 Q C 1.862 177.914 176.000 0.086 0.000 0.982 475 Q CA 1.898 57.745 55.803 0.073 0.000 0.850 475 Q CB -0.096 28.667 28.738 0.042 0.000 0.901 475 Q HN 0.576 nan 8.270 nan 0.000 0.422 476 E N -0.725 119.525 120.200 0.084 0.000 2.110 476 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 476 E C 1.870 178.533 176.600 0.105 0.000 0.988 476 E CA 1.164 57.609 56.400 0.075 0.000 0.804 476 E CB -0.295 29.441 29.700 0.059 0.000 0.745 476 E HN 0.397 nan 8.360 nan 0.000 0.458 477 Y N 2.012 122.346 120.300 0.056 0.000 2.200 477 Y HA -0.193 4.357 4.550 -0.000 0.000 0.290 477 Y C 1.899 177.841 175.900 0.070 0.000 1.137 477 Y CA 1.670 59.814 58.100 0.073 0.000 1.163 477 Y CB 0.160 38.674 38.460 0.091 0.000 0.988 477 Y HN -0.000 nan 8.280 nan 0.000 0.518 478 E N -0.286 120.058 120.200 0.241 0.000 2.031 478 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 478 E C 1.659 178.303 176.600 0.074 0.000 0.994 478 E CA 1.388 57.892 56.400 0.173 0.000 0.800 478 E CB -0.192 29.599 29.700 0.151 0.000 0.752 478 E HN 0.495 nan 8.360 nan 0.000 0.447 479 D N 0.249 120.682 120.400 0.055 0.000 2.264 479 D HA -0.092 4.548 4.640 -0.000 0.000 0.208 479 D C 1.614 177.913 176.300 -0.003 0.000 0.966 479 D CA 1.101 55.118 54.000 0.029 0.000 0.864 479 D CB -0.030 40.785 40.800 0.026 0.000 0.933 479 D HN 0.185 nan 8.370 nan 0.000 0.499 480 A N -0.351 122.442 122.820 -0.046 0.000 1.956 480 A HA 0.164 4.484 4.320 -0.000 0.000 0.212 480 A C 2.018 179.522 177.584 -0.132 0.000 1.188 480 A CA 0.357 52.342 52.037 -0.087 0.000 0.675 480 A CB 0.035 18.970 19.000 -0.109 0.000 0.845 480 A HN 0.182 nan 8.150 nan 0.000 0.455 481 L N -1.337 119.750 121.223 -0.228 0.000 2.878 481 L HA 0.279 4.619 4.340 -0.000 0.000 0.253 481 L C -0.143 176.654 176.870 -0.122 0.000 1.135 481 L CA -0.145 54.550 54.840 -0.243 0.000 0.943 481 L CB 0.446 42.197 42.059 -0.515 0.000 1.307 481 L HN 0.108 nan 8.230 nan 0.000 0.545 482 L N 3.133 124.337 121.223 -0.032 0.000 2.480 482 L HA 0.233 4.573 4.340 -0.000 0.000 0.243 482 L C 0.167 177.035 176.870 -0.003 0.000 1.315 482 L CA 0.316 55.179 54.840 0.038 0.000 1.231 482 L CB -1.299 40.861 42.059 0.168 0.000 1.444 482 L HN 0.364 nan 8.230 nan 0.000 0.409 483 N N -0.474 118.187 118.700 -0.065 0.000 3.277 483 N HA 0.457 5.197 4.740 -0.000 0.000 0.278 483 N C -2.912 172.471 175.510 -0.212 0.000 1.544 483 N CA -1.078 51.922 53.050 -0.084 0.000 0.869 483 N CB 1.920 40.451 38.487 0.074 0.000 1.584 483 N HN -0.229 nan 8.380 nan 0.000 0.564 484 P HA 0.195 nan 4.420 nan 0.000 0.274 484 P C 0.229 177.273 177.300 -0.426 0.000 1.352 484 P CA 0.178 63.031 63.100 -0.412 0.000 0.947 484 P CB -0.112 31.333 31.700 -0.424 0.000 1.437 485 Y N 0.375 120.628 120.300 -0.078 0.000 2.373 485 Y HA -0.062 4.488 4.550 -0.000 0.000 0.293 485 Y C 2.541 178.383 175.900 -0.096 0.000 1.129 485 Y CA 1.481 59.536 58.100 -0.075 0.000 1.226 485 Y CB -1.467 36.956 38.460 -0.062 0.000 1.000 485 Y HN -0.044 nan 8.280 nan 0.000 0.549 486 T N -0.454 114.092 114.554 -0.013 0.000 2.896 486 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 486 T C 2.258 176.866 174.700 -0.153 0.000 1.050 486 T CA 1.091 63.145 62.100 -0.076 0.000 1.140 486 T CB -0.431 68.382 68.868 -0.092 0.000 0.877 486 T HN 0.405 nan 8.240 nan 0.000 0.457 487 A N 1.439 124.167 122.820 -0.153 0.000 1.933 487 A HA 0.187 4.507 4.320 -0.000 0.000 0.218 487 A C 2.581 180.081 177.584 -0.141 0.000 1.175 487 A CA 1.716 53.664 52.037 -0.149 0.000 0.628 487 A CB -0.944 18.021 19.000 -0.058 0.000 0.814 487 A HN 0.489 nan 8.150 nan 0.000 0.444 488 A N -0.275 122.487 122.820 -0.097 0.000 1.930 488 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 488 A C 1.878 179.432 177.584 -0.050 0.000 1.175 488 A CA 1.517 53.524 52.037 -0.049 0.000 0.627 488 A CB -0.472 18.522 19.000 -0.010 0.000 0.815 488 A HN 0.623 nan 8.150 nan 0.000 0.443 489 E N -0.505 119.655 120.200 -0.065 0.000 2.118 489 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 489 E C 1.942 178.470 176.600 -0.121 0.000 0.992 489 E CA 1.069 57.426 56.400 -0.071 0.000 0.804 489 E CB -0.107 29.550 29.700 -0.072 0.000 0.741 489 E HN 0.517 nan 8.360 nan 0.000 0.458 490 R N -0.900 119.455 120.500 -0.241 0.000 2.317 490 R HA 0.082 4.422 4.340 -0.000 0.000 0.208 490 R C 1.012 177.198 176.300 -0.189 0.000 0.914 490 R CA 0.482 56.383 56.100 -0.331 0.000 1.060 490 R CB 0.697 30.521 30.300 -0.793 0.000 1.015 490 R HN 0.236 nan 8.270 nan 0.000 0.498 491 G N 0.413 109.162 108.800 -0.086 0.000 2.148 491 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.254 491 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.254 491 G C 0.551 175.557 174.900 0.177 0.000 0.981 491 G CA 0.187 45.311 45.100 0.040 0.000 0.670 491 G HN 0.507 nan 8.290 nan 0.000 0.528 492 Y N -0.292 120.022 120.300 0.023 0.000 2.352 492 Y HA 0.105 4.655 4.550 -0.000 0.000 0.292 492 Y C 1.747 177.624 175.900 -0.038 0.000 1.136 492 Y CA 0.972 59.086 58.100 0.023 0.000 1.227 492 Y CB 0.251 38.802 38.460 0.152 0.000 0.991 492 Y HN 0.470 nan 8.280 nan 0.000 0.545 493 V N -3.368 116.619 119.914 0.122 0.000 2.604 493 V HA 0.261 4.381 4.120 -0.000 0.000 0.305 493 V C -0.071 176.026 176.094 0.006 0.000 1.043 493 V CA -1.042 61.273 62.300 0.024 0.000 0.888 493 V CB 2.014 33.825 31.823 -0.018 0.000 0.995 493 V HN 0.003 nan 8.190 nan 0.000 0.429 494 D N 2.611 123.004 120.400 -0.012 0.000 2.224 494 D HA 0.269 4.909 4.640 -0.000 0.000 0.205 494 D C 0.742 177.040 176.300 -0.003 0.000 0.965 494 D CA 1.978 55.977 54.000 -0.001 0.000 0.852 494 D CB 0.858 41.659 40.800 0.001 0.000 0.947 494 D HN 1.002 nan 8.370 nan 0.000 0.494 495 A N -0.214 122.585 122.820 -0.035 0.000 2.605 495 A HA 0.465 4.785 4.320 -0.000 0.000 0.294 495 A C -1.360 176.182 177.584 -0.069 0.000 1.062 495 A CA -0.633 51.382 52.037 -0.038 0.000 0.682 495 A CB 1.442 20.419 19.000 -0.039 0.000 1.278 495 A HN -0.116 nan 8.150 nan 0.000 0.410 496 V N 2.681 122.574 119.914 -0.034 0.000 2.370 496 V HA 0.586 4.706 4.120 -0.000 0.000 0.283 496 V C 0.073 176.163 176.094 -0.006 0.000 1.023 496 V CA -0.129 62.147 62.300 -0.040 0.000 0.857 496 V CB 0.743 32.542 31.823 -0.040 0.000 0.985 496 V HN 0.855 nan 8.190 nan 0.000 0.443 497 I N 1.931 122.498 120.570 -0.006 0.000 2.957 497 I HA 0.738 4.908 4.170 -0.000 0.000 0.310 497 I C -0.332 175.757 176.117 -0.046 0.000 1.063 497 I CA -1.264 60.025 61.300 -0.019 0.000 1.033 497 I CB 1.980 39.916 38.000 -0.107 0.000 1.230 497 I HN 0.494 nan 8.210 nan 0.000 0.447 498 M N 4.117 123.672 119.600 -0.075 0.000 2.228 498 M HA 0.362 4.842 4.480 -0.000 0.000 0.351 498 M C -2.015 174.055 176.300 -0.382 0.000 1.233 498 M CA -1.840 53.352 55.300 -0.181 0.000 1.129 498 M CB 0.728 33.263 32.600 -0.108 0.000 1.604 498 M HN 0.378 nan 8.290 nan 0.000 0.457 499 P HA -0.173 nan 4.420 nan 0.000 0.216 499 P C 1.006 177.937 177.300 -0.615 0.000 1.153 499 P CA 1.878 64.129 63.100 -1.414 0.000 0.858 499 P CB -0.079 30.587 31.700 -1.723 0.000 0.789 500 S N -1.783 113.695 115.700 -0.369 0.000 2.469 500 S HA -0.150 4.320 4.470 -0.000 0.000 0.238 500 S C 1.392 175.965 174.600 -0.046 0.000 0.998 500 S CA 1.391 59.493 58.200 -0.163 0.000 0.957 500 S CB -0.980 62.148 63.200 -0.120 0.000 0.764 500 S HN 0.088 nan 8.310 nan 0.000 0.514 501 D N 0.627 121.012 120.400 -0.025 0.000 2.342 501 D HA 0.240 4.880 4.640 -0.000 0.000 0.221 501 D C 1.274 177.704 176.300 0.215 0.000 1.101 501 D CA 0.257 54.317 54.000 0.100 0.000 0.837 501 D CB 0.001 40.887 40.800 0.144 0.000 0.938 501 D HN 0.337 nan 8.370 nan 0.000 0.508 502 T N -0.696 113.975 114.554 0.195 0.000 2.777 502 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 502 T C 1.923 176.784 174.700 0.267 0.000 1.040 502 T CA 0.818 63.100 62.100 0.304 0.000 1.141 502 T CB 0.033 69.174 68.868 0.455 0.000 0.868 502 T HN 0.162 nan 8.240 nan 0.000 0.444 503 R N 0.881 121.513 120.500 0.220 0.000 2.081 503 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 503 R C 2.620 179.005 176.300 0.142 0.000 1.131 503 R CA 1.356 57.567 56.100 0.185 0.000 0.960 503 R CB -0.141 30.255 30.300 0.158 0.000 0.856 503 R HN 0.243 nan 8.270 nan 0.000 0.436 504 R N -0.660 119.908 120.500 0.113 0.000 2.073 504 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 504 R C 2.236 178.545 176.300 0.015 0.000 1.134 504 R CA 1.829 57.953 56.100 0.040 0.000 0.952 504 R CB -0.321 29.972 30.300 -0.012 0.000 0.850 504 R HN 0.450 nan 8.270 nan 0.000 0.433 505 H N 0.001 119.110 119.070 0.065 0.000 2.387 505 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 505 H C 2.201 177.561 175.328 0.052 0.000 1.090 505 H CA 1.807 57.889 56.048 0.055 0.000 1.332 505 H CB 0.019 29.818 29.762 0.061 0.000 1.386 505 H HN 0.279 nan 8.280 nan 0.000 0.516 506 I N -0.129 120.552 120.570 0.185 0.000 2.286 506 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 506 I C 2.525 178.702 176.117 0.101 0.000 1.104 506 I CA 0.527 61.904 61.300 0.128 0.000 1.397 506 I CB -0.120 37.965 38.000 0.141 0.000 1.072 506 I HN -0.004 nan 8.210 nan 0.000 0.417 507 V N 0.977 120.947 119.914 0.093 0.000 2.261 507 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 507 V C 2.540 178.663 176.094 0.048 0.000 1.047 507 V CA 1.927 64.269 62.300 0.071 0.000 1.015 507 V CB -0.703 31.157 31.823 0.062 0.000 0.642 507 V HN 0.366 nan 8.190 nan 0.000 0.446 508 R N -0.063 120.452 120.500 0.025 0.000 2.115 508 R HA -0.068 4.272 4.340 -0.000 0.000 0.230 508 R C 2.410 178.724 176.300 0.024 0.000 1.111 508 R CA 1.226 57.330 56.100 0.006 0.000 0.976 508 R CB -0.706 29.568 30.300 -0.042 0.000 0.870 508 R HN 0.608 nan 8.270 nan 0.000 0.445 509 G N 1.122 109.949 108.800 0.046 0.000 2.404 509 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 509 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 509 G C 1.409 176.337 174.900 0.047 0.000 1.174 509 G CA 0.314 45.446 45.100 0.054 0.000 0.780 509 G HN 0.126 nan 8.290 nan 0.000 0.537 510 L N -0.214 121.041 121.223 0.054 0.000 2.141 510 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 510 L C 3.163 180.060 176.870 0.045 0.000 1.094 510 L CA 0.650 55.523 54.840 0.055 0.000 0.763 510 L CB -0.269 41.832 42.059 0.071 0.000 0.908 510 L HN 0.176 nan 8.230 nan 0.000 0.437 511 R N -0.506 120.018 120.500 0.040 0.000 2.081 511 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 511 R C 2.319 178.634 176.300 0.026 0.000 1.131 511 R CA 1.235 57.354 56.100 0.031 0.000 0.960 511 R CB -0.184 30.131 30.300 0.025 0.000 0.856 511 R HN 0.450 nan 8.270 nan 0.000 0.436 512 Q N 0.263 120.077 119.800 0.025 0.000 2.137 512 Q HA -0.022 4.318 4.340 -0.000 0.000 0.198 512 Q C 2.185 178.198 176.000 0.022 0.000 0.960 512 Q CA 0.915 56.730 55.803 0.021 0.000 0.847 512 Q CB 0.152 28.901 28.738 0.020 0.000 0.915 512 Q HN 0.385 nan 8.270 nan 0.000 0.448 513 L N 1.095 122.334 121.223 0.026 0.000 2.395 513 L HA -0.048 4.291 4.340 -0.000 0.000 0.218 513 L C 2.433 179.319 176.870 0.027 0.000 1.130 513 L CA 0.406 55.262 54.840 0.026 0.000 0.826 513 L CB -0.293 41.783 42.059 0.029 0.000 0.941 513 L HN 0.206 nan 8.230 nan 0.000 0.451 514 R N 0.121 120.639 120.500 0.030 0.000 2.249 514 R HA -0.127 4.213 4.340 -0.000 0.000 0.230 514 R C 1.511 177.824 176.300 0.023 0.000 1.121 514 R CA 1.637 57.755 56.100 0.031 0.000 0.997 514 R CB -1.021 29.298 30.300 0.032 0.000 0.867 514 R HN 0.330 nan 8.270 nan 0.000 0.465 515 T N -1.833 112.732 114.554 0.018 0.000 3.188 515 T HA 0.109 4.459 4.350 -0.000 0.000 0.250 515 T C 0.458 175.166 174.700 0.012 0.000 1.077 515 T CA -0.560 61.548 62.100 0.014 0.000 0.967 515 T CB 0.095 68.970 68.868 0.011 0.000 1.006 515 T HN 0.224 nan 8.240 nan 0.000 0.552 516 K N 1.985 122.394 120.400 0.015 0.000 2.484 516 K HA 0.065 4.385 4.320 -0.000 0.000 0.280 516 K C -0.426 176.180 176.600 0.009 0.000 1.013 516 K CA 0.075 56.369 56.287 0.012 0.000 1.029 516 K CB 0.361 32.869 32.500 0.015 0.000 0.902 516 K HN 0.313 nan 8.250 nan 0.000 0.481 517 R N 3.712 124.214 120.500 0.005 0.000 2.451 517 R HA 0.226 4.566 4.340 -0.000 0.000 0.307 517 R C -1.117 175.183 176.300 -0.001 0.000 0.965 517 R CA -0.611 55.490 56.100 0.002 0.000 0.865 517 R CB 1.788 32.089 30.300 0.001 0.000 1.174 517 R HN 0.718 nan 8.270 nan 0.000 0.455 518 E N 1.491 121.689 120.200 -0.004 0.000 2.372 518 E HA 0.459 4.809 4.350 -0.000 0.000 0.279 518 E C -1.540 175.053 176.600 -0.012 0.000 0.946 518 E CA -0.521 55.875 56.400 -0.008 0.000 0.769 518 E CB 2.210 31.905 29.700 -0.008 0.000 1.230 518 E HN 0.472 nan 8.360 nan 0.000 0.442 519 S N 1.694 117.385 115.700 -0.015 0.000 2.564 519 S HA 0.527 4.997 4.470 -0.000 0.000 0.274 519 S C -1.298 173.288 174.600 -0.024 0.000 1.124 519 S CA -0.690 57.499 58.200 -0.018 0.000 0.869 519 S CB 1.235 64.426 63.200 -0.015 0.000 1.105 519 S HN 0.415 nan 8.310 nan 0.000 0.472 520 L N 1.958 123.165 121.223 -0.027 0.000 2.400 520 L HA 0.601 4.941 4.340 -0.000 0.000 0.264 520 L C -2.148 174.706 176.870 -0.027 0.000 1.061 520 L CA -1.822 52.998 54.840 -0.034 0.000 0.799 520 L CB -0.400 41.633 42.059 -0.043 0.000 1.240 520 L HN 0.415 nan 8.230 nan 0.000 0.461 521 P HA 0.150 nan 4.420 nan 0.000 0.267 521 P C -2.499 174.788 177.300 -0.021 0.000 1.200 521 P CA -0.659 62.427 63.100 -0.024 0.000 0.772 521 P CB -0.225 31.460 31.700 -0.025 0.000 0.855 522 P HA 0.129 nan 4.420 nan 0.000 0.265 522 P C -0.578 176.706 177.300 -0.027 0.000 1.193 522 P CA 0.290 63.377 63.100 -0.021 0.000 0.765 522 P CB 0.365 32.053 31.700 -0.020 0.000 0.823 523 K N 0.159 120.540 120.400 -0.030 0.000 2.625 523 K HA 0.310 4.630 4.320 -0.000 0.000 0.284 523 K C -0.074 176.487 176.600 -0.064 0.000 0.984 523 K CA -1.027 55.228 56.287 -0.053 0.000 0.865 523 K CB 1.059 33.531 32.500 -0.046 0.000 1.468 523 K HN -0.077 nan 8.250 nan 0.000 0.407 524 K N 0.043 120.363 120.400 -0.133 0.000 2.057 524 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 524 K C 0.014 176.589 176.600 -0.042 0.000 1.049 524 K CA 2.104 58.314 56.287 -0.128 0.000 0.931 524 K CB -0.402 31.957 32.500 -0.234 0.000 0.714 524 K HN 0.823 nan 8.250 nan 0.000 0.440 525 H N -4.322 114.754 119.070 0.010 0.000 2.921 525 H HA 0.372 4.928 4.556 -0.000 0.000 0.287 525 H C -0.359 175.000 175.328 0.052 0.000 1.434 525 H CA -0.731 55.331 56.048 0.023 0.000 1.178 525 H CB 0.198 29.965 29.762 0.008 0.000 1.836 525 H HN 0.042 nan 8.280 nan 0.000 0.495 526 G N -0.910 108.083 108.800 0.321 0.000 2.563 526 G HA2 0.255 4.215 3.960 -0.000 0.000 0.283 526 G HA3 0.255 4.215 3.960 -0.000 0.000 0.283 526 G C -0.524 174.562 174.900 0.311 0.000 1.309 526 G CA -0.600 44.700 45.100 0.333 0.000 1.022 526 G HN 0.897 nan 8.290 nan 0.000 0.501 527 N N -0.485 118.338 118.700 0.205 0.000 2.644 527 N HA 0.151 4.891 4.740 -0.000 0.000 0.313 527 N C 0.038 175.444 175.510 -0.173 0.000 1.863 527 N CA -0.455 52.626 53.050 0.052 0.000 0.918 527 N CB 0.328 38.868 38.487 0.088 0.000 1.320 527 N HN 0.423 nan 8.380 nan 0.000 0.490 528 I N 1.498 121.725 120.570 -0.572 0.000 2.815 528 I HA 0.064 4.234 4.170 -0.000 0.000 0.291 528 I C -1.985 173.876 176.117 -0.428 0.000 1.209 528 I CA -1.091 59.595 61.300 -1.024 0.000 1.431 528 I CB 0.780 38.028 38.000 -1.253 0.000 1.351 528 I HN 0.215 nan 8.210 nan 0.000 0.585 529 P HA 0.177 nan 4.420 nan 0.000 0.266 529 P C -0.886 176.329 177.300 -0.141 0.000 1.195 529 P CA 0.211 63.224 63.100 -0.145 0.000 0.768 529 P CB 0.581 32.233 31.700 -0.081 0.000 0.838 530 L N 0.000 121.163 121.223 -0.100 0.000 2.949 530 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 530 L CA 0.000 54.789 54.840 -0.086 0.000 0.813 530 L CB 0.000 42.004 42.059 -0.092 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502