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 2bzr_1_E DATA FIRST_RESID 21 DATA SEQUENCE DIHTTAGKLA ELHKRREESL HPVGEDAVEK VHAKGKLTAR ERIYALLDED DATA SEQUENCE SFVELDALAK HRSTNFNLGE KRPLGDGVVT GYGTIDGRDV CIFSQDATVF DATA SEQUENCE GGSLGEVYGE KIVKVQELAI KTGRPLIGIN DGAGARIQEG VVSLGLYSRI DATA SEQUENCE FRNNILASGV IPQISLIMGA AAGGHVYSPA LTDFVIMVDQ TSQMFITGPD DATA SEQUENCE VIKTVTGEEV TMEELGGAHT HMAKSGTAHY AASGEQDAFD YVRELLSYLP DATA SEQUENCE PNNSTDAPRY QAAAPTGPIE ENLTDEDLEL DTLIPDSPNQ PYDMHEVITR DATA SEQUENCE LLDDEFLEIQ AGYAQNIVVG FGRIDGRPVG IVANQPTHFA GCLDINASEK DATA SEQUENCE AARFVRTCDC FNIPIVMLVD VPGFLPGTDQ EYNGIIRRGA KLLYAYGEAT DATA SEQUENCE VPKITVITRK AYGGAYCVMG SKDMGCDVNL AWPTAQIAVM GASGAVGFVY DATA SEQUENCE RXXXXXXXXX XXXXXXXRLR LQQEYEDTLV NPYVAAERGY VGAVIPPSHT DATA SEQUENCE RGYIGTALRL LERKXXXXXX KKHGNVPL 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 21 D HA 0.000 nan 4.640 nan 0.000 0.175 21 D C 0.000 176.244 176.300 -0.094 0.000 2.045 21 D CA 0.000 53.963 54.000 -0.061 0.000 0.868 21 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 22 I N 2.958 123.406 120.570 -0.204 0.000 3.176 22 I HA -0.101 4.070 4.170 0.001 0.000 0.275 22 I C 0.442 176.436 176.117 -0.205 0.000 1.298 22 I CA 0.802 61.971 61.300 -0.218 0.000 1.445 22 I CB 0.032 37.880 38.000 -0.254 0.000 1.075 22 I HN 0.407 nan 8.210 nan 0.000 0.482 23 H N -0.690 118.383 119.070 0.004 0.000 2.529 23 H HA 0.105 4.662 4.556 0.001 0.000 0.277 23 H C 0.696 176.025 175.328 0.003 0.000 1.004 23 H CA -0.079 55.970 56.048 0.002 0.000 1.167 23 H CB 0.201 29.965 29.762 0.002 0.000 1.445 23 H HN 0.261 nan 8.280 nan 0.000 0.554 24 T N -3.367 111.230 114.554 0.072 0.000 2.940 24 T HA 0.147 4.497 4.350 0.001 0.000 0.288 24 T C 1.380 176.099 174.700 0.032 0.000 1.033 24 T CA -0.648 61.481 62.100 0.048 0.000 1.033 24 T CB 2.028 70.915 68.868 0.032 0.000 1.079 24 T HN -0.050 nan 8.240 nan 0.000 0.496 25 T N 1.692 116.262 114.554 0.028 0.000 2.684 25 T HA -0.102 4.249 4.350 0.001 0.000 0.267 25 T C 2.396 177.108 174.700 0.020 0.000 1.036 25 T CA 1.775 63.888 62.100 0.021 0.000 1.148 25 T CB -0.888 67.991 68.868 0.018 0.000 0.863 25 T HN 0.847 nan 8.240 nan 0.000 0.436 26 A N 1.323 124.155 122.820 0.021 0.000 1.908 26 A HA 0.067 4.388 4.320 0.001 0.000 0.218 26 A C 2.633 180.232 177.584 0.024 0.000 1.181 26 A CA 1.954 54.005 52.037 0.024 0.000 0.627 26 A CB -1.351 17.660 19.000 0.019 0.000 0.818 26 A HN 0.533 nan 8.150 nan 0.000 0.445 27 G N -0.607 108.201 108.800 0.013 0.000 2.408 27 G HA2 -0.182 3.778 3.960 0.001 0.000 0.217 27 G HA3 -0.182 3.778 3.960 0.001 0.000 0.217 27 G C 1.669 176.569 174.900 0.000 0.000 1.150 27 G CA 1.048 46.148 45.100 0.001 0.000 0.776 27 G HN 0.571 nan 8.290 nan 0.000 0.542 28 K N -0.568 119.834 120.400 0.003 0.000 2.057 28 K HA 0.025 4.346 4.320 0.001 0.000 0.207 28 K C 2.303 178.900 176.600 -0.006 0.000 1.049 28 K CA 0.773 57.058 56.287 -0.003 0.000 0.931 28 K CB -0.274 32.227 32.500 0.003 0.000 0.714 28 K HN 0.231 nan 8.250 nan 0.000 0.440 29 L N 1.089 122.318 121.223 0.011 0.000 2.046 29 L HA -0.121 4.220 4.340 0.001 0.000 0.208 29 L C 2.137 179.058 176.870 0.085 0.000 1.077 29 L CA 1.846 56.699 54.840 0.022 0.000 0.747 29 L CB -0.821 41.274 42.059 0.060 0.000 0.896 29 L HN 0.145 nan 8.230 nan 0.000 0.432 30 A N -0.788 122.093 122.820 0.101 0.000 1.933 30 A HA -0.248 4.073 4.320 0.001 0.000 0.218 30 A C 2.242 179.874 177.584 0.081 0.000 1.175 30 A CA 1.677 53.787 52.037 0.121 0.000 0.628 30 A CB -0.680 18.356 19.000 0.061 0.000 0.814 30 A HN 0.549 nan 8.150 nan 0.000 0.444 31 E N -0.225 119.992 120.200 0.028 0.000 2.153 31 E HA -0.164 4.187 4.350 0.001 0.000 0.194 31 E C 1.721 178.313 176.600 -0.014 0.000 0.988 31 E CA 1.269 57.672 56.400 0.005 0.000 0.811 31 E CB -0.378 29.315 29.700 -0.012 0.000 0.746 31 E HN 0.442 nan 8.360 nan 0.000 0.466 32 L N 0.442 121.632 121.223 -0.055 0.000 2.027 32 L HA -0.141 4.200 4.340 0.001 0.000 0.206 32 L C 2.125 178.911 176.870 -0.141 0.000 1.074 32 L CA 1.992 56.755 54.840 -0.127 0.000 0.745 32 L CB -0.885 41.048 42.059 -0.211 0.000 0.898 32 L HN 0.265 nan 8.230 nan 0.000 0.433 33 H N 0.128 119.193 119.070 -0.010 0.000 2.390 33 H HA -0.206 4.350 4.556 0.001 0.000 0.298 33 H C 2.260 177.584 175.328 -0.006 0.000 1.106 33 H CA 1.869 57.913 56.048 -0.007 0.000 1.297 33 H CB -0.057 29.703 29.762 -0.004 0.000 1.375 33 H HN 0.418 nan 8.280 nan 0.000 0.509 34 K N 0.864 121.324 120.400 0.100 0.000 2.057 34 K HA -0.106 4.214 4.320 0.001 0.000 0.207 34 K C 2.367 178.978 176.600 0.017 0.000 1.049 34 K CA 0.889 57.209 56.287 0.055 0.000 0.931 34 K CB 0.142 32.667 32.500 0.041 0.000 0.714 34 K HN 0.213 nan 8.250 nan 0.000 0.440 35 R N 0.013 120.510 120.500 -0.005 0.000 2.075 35 R HA -0.076 4.264 4.340 0.001 0.000 0.232 35 R C 2.449 178.726 176.300 -0.038 0.000 1.126 35 R CA 1.143 57.228 56.100 -0.025 0.000 0.963 35 R CB -0.198 30.083 30.300 -0.032 0.000 0.858 35 R HN 0.164 nan 8.270 nan 0.000 0.435 36 R N 0.542 121.024 120.500 -0.029 0.000 2.070 36 R HA -0.174 4.167 4.340 0.001 0.000 0.233 36 R C 2.275 178.559 176.300 -0.027 0.000 1.137 36 R CA 1.601 57.688 56.100 -0.022 0.000 0.945 36 R CB -0.273 30.025 30.300 -0.004 0.000 0.845 36 R HN 0.098 nan 8.270 nan 0.000 0.430 37 E N 1.257 121.455 120.200 -0.004 0.000 2.070 37 E HA -0.255 4.095 4.350 0.001 0.000 0.197 37 E C 1.724 178.194 176.600 -0.216 0.000 1.004 37 E CA 1.841 58.229 56.400 -0.020 0.000 0.805 37 E CB -0.156 29.578 29.700 0.056 0.000 0.744 37 E HN 0.332 nan 8.360 nan 0.000 0.451 38 E N -0.359 119.718 120.200 -0.204 0.000 2.153 38 E HA -0.175 4.176 4.350 0.001 0.000 0.194 38 E C 1.798 178.148 176.600 -0.416 0.000 0.988 38 E CA 1.332 57.513 56.400 -0.365 0.000 0.811 38 E CB -0.217 29.419 29.700 -0.106 0.000 0.746 38 E HN 0.364 nan 8.360 nan 0.000 0.466 39 S N 0.083 115.653 115.700 -0.218 0.000 2.474 39 S HA -0.057 4.413 4.470 0.001 0.000 0.235 39 S C 1.904 176.427 174.600 -0.129 0.000 0.997 39 S CA 0.411 58.531 58.200 -0.132 0.000 0.949 39 S CB -0.311 62.855 63.200 -0.056 0.000 0.766 39 S HN 0.319 nan 8.310 nan 0.000 0.517 40 L N 1.469 122.578 121.223 -0.189 0.000 2.395 40 L HA 0.097 4.437 4.340 0.001 0.000 0.218 40 L C 1.003 177.859 176.870 -0.024 0.000 1.130 40 L CA 0.733 55.533 54.840 -0.066 0.000 0.826 40 L CB -0.555 41.513 42.059 0.015 0.000 0.941 40 L HN 0.682 nan 8.230 nan 0.000 0.451 41 H N -2.653 116.426 119.070 0.014 0.000 2.600 41 H HA 0.241 4.797 4.556 0.001 0.000 0.224 41 H C -2.552 172.769 175.328 -0.012 0.000 1.413 41 H CA -1.530 54.514 56.048 -0.007 0.000 1.401 41 H CB 0.398 30.157 29.762 -0.006 0.000 1.772 41 H HN -0.032 nan 8.280 nan 0.000 0.528 42 P HA -0.101 nan 4.420 nan 0.000 0.223 42 P C 1.173 178.479 177.300 0.010 0.000 1.151 42 P CA 0.817 63.907 63.100 -0.016 0.000 0.787 42 P CB 0.300 31.989 31.700 -0.020 0.000 0.788 43 V N -4.619 115.302 119.914 0.012 0.000 3.085 43 V HA 0.714 4.835 4.120 0.001 0.000 0.345 43 V C 0.414 176.516 176.094 0.013 0.000 1.397 43 V CA -0.188 62.101 62.300 -0.019 0.000 1.165 43 V CB -0.327 31.439 31.823 -0.095 0.000 1.153 43 V HN 0.283 nan 8.190 nan 0.000 0.495 44 G N 0.548 109.398 108.800 0.084 0.000 2.650 44 G HA2 -0.103 3.858 3.960 0.001 0.000 0.686 44 G HA3 -0.103 3.858 3.960 0.001 0.000 0.686 44 G C -0.017 174.869 174.900 -0.023 0.000 1.205 44 G CA -0.003 45.121 45.100 0.040 0.000 0.781 44 G HN 0.248 nan 8.290 nan 0.000 0.648 45 E N 0.068 120.170 120.200 -0.163 0.000 2.150 45 E HA -0.109 4.242 4.350 0.001 0.000 0.193 45 E C 1.776 178.315 176.600 -0.100 0.000 0.985 45 E CA 1.374 57.658 56.400 -0.194 0.000 0.814 45 E CB 0.106 29.648 29.700 -0.264 0.000 0.752 45 E HN 0.640 nan 8.360 nan 0.000 0.466 46 D N 0.925 121.279 120.400 -0.077 0.000 2.123 46 D HA -0.137 4.504 4.640 0.001 0.000 0.196 46 D C 1.973 178.240 176.300 -0.056 0.000 0.992 46 D CA 1.638 55.605 54.000 -0.054 0.000 0.833 46 D CB 0.014 40.791 40.800 -0.040 0.000 0.954 46 D HN 0.149 nan 8.370 nan 0.000 0.455 47 A N -0.264 122.525 122.820 -0.053 0.000 1.902 47 A HA -0.134 4.187 4.320 0.001 0.000 0.217 47 A C 2.450 179.979 177.584 -0.091 0.000 1.181 47 A CA 1.491 53.495 52.037 -0.056 0.000 0.623 47 A CB -0.832 18.140 19.000 -0.046 0.000 0.818 47 A HN 0.214 nan 8.150 nan 0.000 0.443 48 V N 0.445 120.289 119.914 -0.117 0.000 2.287 48 V HA -0.259 3.861 4.120 0.001 0.000 0.248 48 V C 2.566 178.446 176.094 -0.356 0.000 1.053 48 V CA 2.201 64.353 62.300 -0.247 0.000 1.027 48 V CB -0.775 30.935 31.823 -0.188 0.000 0.646 48 V HN 0.544 nan 8.190 nan 0.000 0.447 49 E N 0.277 120.374 120.200 -0.172 0.000 2.085 49 E HA -0.255 4.096 4.350 0.001 0.000 0.194 49 E C 2.248 178.824 176.600 -0.040 0.000 0.994 49 E CA 1.375 57.733 56.400 -0.070 0.000 0.801 49 E CB -0.275 29.412 29.700 -0.021 0.000 0.743 49 E HN 0.595 nan 8.360 nan 0.000 0.453 50 K N 0.412 120.781 120.400 -0.051 0.000 2.057 50 K HA -0.091 4.230 4.320 0.001 0.000 0.207 50 K C 2.282 178.872 176.600 -0.017 0.000 1.049 50 K CA 1.022 57.295 56.287 -0.023 0.000 0.931 50 K CB -0.082 32.404 32.500 -0.023 0.000 0.714 50 K HN -0.062 nan 8.250 nan 0.000 0.440 51 V N 1.063 120.940 119.914 -0.062 0.000 2.233 51 V HA -0.278 3.843 4.120 0.001 0.000 0.247 51 V C 2.103 178.237 176.094 0.068 0.000 1.050 51 V CA 1.876 64.158 62.300 -0.031 0.000 1.010 51 V CB -0.687 31.083 31.823 -0.089 0.000 0.637 51 V HN 0.341 nan 8.190 nan 0.000 0.444 52 H N 0.488 119.569 119.070 0.017 0.000 2.422 52 H HA -0.063 4.494 4.556 0.001 0.000 0.298 52 H C 2.304 177.640 175.328 0.015 0.000 1.098 52 H CA 1.443 57.501 56.048 0.018 0.000 1.315 52 H CB -0.780 28.993 29.762 0.018 0.000 1.382 52 H HN 0.462 nan 8.280 nan 0.000 0.523 53 A N 1.017 123.915 122.820 0.130 0.000 2.019 53 A HA -0.144 4.177 4.320 0.001 0.000 0.219 53 A C 2.155 179.772 177.584 0.055 0.000 1.164 53 A CA 1.281 53.362 52.037 0.074 0.000 0.644 53 A CB -0.217 18.811 19.000 0.046 0.000 0.805 53 A HN 0.344 nan 8.150 nan 0.000 0.449 54 K N -1.592 118.843 120.400 0.058 0.000 2.418 54 K HA 0.175 4.496 4.320 0.001 0.000 0.195 54 K C 1.135 177.763 176.600 0.047 0.000 1.035 54 K CA 0.498 56.812 56.287 0.045 0.000 1.003 54 K CB -0.052 32.472 32.500 0.041 0.000 0.793 54 K HN 0.648 nan 8.250 nan 0.000 0.494 55 G N 1.981 110.819 108.800 0.064 0.000 2.157 55 G HA2 -0.284 3.676 3.960 0.001 0.000 0.248 55 G HA3 -0.284 3.676 3.960 0.001 0.000 0.248 55 G C -0.291 174.648 174.900 0.066 0.000 0.979 55 G CA 0.101 45.233 45.100 0.052 0.000 0.650 55 G HN 0.260 nan 8.290 nan 0.000 0.529 56 K N -0.344 120.114 120.400 0.096 0.000 2.087 56 K HA 0.692 5.012 4.320 0.001 0.000 0.255 56 K C 0.135 176.835 176.600 0.167 0.000 0.988 56 K CA -1.009 55.338 56.287 0.100 0.000 0.915 56 K CB 1.192 33.736 32.500 0.074 0.000 1.043 56 K HN 0.000 nan 8.250 nan 0.000 0.457 57 L N 1.604 122.910 121.223 0.139 0.000 2.399 57 L HA 0.200 4.541 4.340 0.001 0.000 0.266 57 L C 0.724 177.667 176.870 0.122 0.000 1.114 57 L CA 0.078 55.014 54.840 0.160 0.000 0.804 57 L CB 0.995 43.142 42.059 0.147 0.000 1.146 57 L HN 0.851 nan 8.230 nan 0.000 0.451 58 T N -0.683 113.937 114.554 0.110 0.000 2.766 58 T HA 0.353 4.704 4.350 0.001 0.000 0.295 58 T C 1.447 176.124 174.700 -0.038 0.000 1.024 58 T CA -0.077 62.032 62.100 0.015 0.000 1.018 58 T CB 0.475 69.335 68.868 -0.012 0.000 1.002 58 T HN 0.654 nan 8.240 nan 0.000 0.532 59 A N 1.945 124.735 122.820 -0.051 0.000 1.909 59 A HA -0.271 4.050 4.320 0.001 0.000 0.221 59 A C 2.487 179.943 177.584 -0.214 0.000 1.223 59 A CA 2.614 54.599 52.037 -0.087 0.000 0.658 59 A CB -1.031 17.931 19.000 -0.063 0.000 0.831 59 A HN 1.026 nan 8.150 nan 0.000 0.462 60 R N -0.720 119.603 120.500 -0.295 0.000 2.119 60 R HA 0.012 4.353 4.340 0.001 0.000 0.222 60 R C 1.774 177.465 176.300 -1.016 0.000 1.088 60 R CA 1.360 57.083 56.100 -0.629 0.000 0.984 60 R CB -0.520 29.456 30.300 -0.540 0.000 0.884 60 R HN 0.584 nan 8.270 nan 0.000 0.447 61 E N 1.051 120.911 120.200 -0.566 0.000 2.110 61 E HA -0.140 4.211 4.350 0.001 0.000 0.193 61 E C 2.144 178.585 176.600 -0.265 0.000 0.988 61 E CA 1.352 57.555 56.400 -0.329 0.000 0.804 61 E CB -0.013 29.674 29.700 -0.021 0.000 0.745 61 E HN 0.387 nan 8.360 nan 0.000 0.458 62 R N 0.451 120.829 120.500 -0.204 0.000 2.091 62 R HA -0.137 4.204 4.340 0.001 0.000 0.238 62 R C 2.418 178.417 176.300 -0.502 0.000 1.136 62 R CA 1.282 57.276 56.100 -0.177 0.000 0.959 62 R CB -0.437 29.913 30.300 0.083 0.000 0.856 62 R HN 0.213 nan 8.270 nan 0.000 0.437 63 I N -0.110 120.154 120.570 -0.510 0.000 2.163 63 I HA -0.335 3.835 4.170 0.001 0.000 0.243 63 I C 2.049 177.910 176.117 -0.427 0.000 1.085 63 I CA 1.695 62.648 61.300 -0.579 0.000 1.347 63 I CB -0.469 37.013 38.000 -0.864 0.000 1.044 63 I HN 0.233 nan 8.210 nan 0.000 0.408 64 Y N 0.619 120.691 120.300 -0.380 0.000 2.224 64 Y HA -0.227 4.324 4.550 0.001 0.000 0.289 64 Y C 2.750 178.497 175.900 -0.254 0.000 1.146 64 Y CA 0.304 58.251 58.100 -0.254 0.000 1.182 64 Y CB -0.397 37.973 38.460 -0.149 0.000 0.983 64 Y HN 0.178 nan 8.280 nan 0.000 0.524 65 A N 0.364 123.072 122.820 -0.186 0.000 1.858 65 A HA -0.205 4.116 4.320 0.001 0.000 0.216 65 A C 2.117 179.437 177.584 -0.441 0.000 1.190 65 A CA 1.602 53.472 52.037 -0.280 0.000 0.617 65 A CB -1.003 17.836 19.000 -0.267 0.000 0.827 65 A HN 0.403 nan 8.150 nan 0.000 0.443 66 L N -0.242 120.507 121.223 -0.791 0.000 1.994 66 L HA 0.053 4.394 4.340 0.001 0.000 0.208 66 L C 1.040 177.775 176.870 -0.225 0.000 1.071 66 L CA 1.319 55.828 54.840 -0.552 0.000 0.745 66 L CB -0.563 41.153 42.059 -0.572 0.000 0.892 66 L HN 0.365 nan 8.230 nan 0.000 0.431 67 L N 0.227 121.340 121.223 -0.182 0.000 2.466 67 L HA 0.116 4.457 4.340 0.001 0.000 0.257 67 L C 0.121 176.966 176.870 -0.041 0.000 1.189 67 L CA -0.852 53.944 54.840 -0.073 0.000 0.813 67 L CB -0.018 42.027 42.059 -0.023 0.000 1.118 67 L HN 0.116 nan 8.230 nan 0.000 0.471 68 D N 0.955 121.347 120.400 -0.013 0.000 2.419 68 D HA -0.043 4.598 4.640 0.001 0.000 0.236 68 D C 0.180 176.474 176.300 -0.009 0.000 1.165 68 D CA 0.201 54.195 54.000 -0.010 0.000 0.882 68 D CB 0.459 41.258 40.800 -0.001 0.000 1.201 68 D HN 0.415 nan 8.370 nan 0.000 0.443 69 E N 0.772 120.960 120.200 -0.019 0.000 2.465 69 E HA -0.111 4.239 4.350 0.001 0.000 0.260 69 E C -0.272 176.308 176.600 -0.032 0.000 0.980 69 E CA -0.049 56.332 56.400 -0.031 0.000 0.927 69 E CB 0.251 29.932 29.700 -0.032 0.000 0.934 69 E HN 0.262 nan 8.360 nan 0.000 0.459 70 D N 2.043 122.410 120.400 -0.055 0.000 3.059 70 D HA -0.194 4.446 4.640 0.001 0.000 0.220 70 D C 0.652 176.941 176.300 -0.017 0.000 1.169 70 D CA 1.372 55.340 54.000 -0.054 0.000 0.902 70 D CB -1.560 39.210 40.800 -0.050 0.000 1.116 70 D HN 0.458 nan 8.370 nan 0.000 0.417 71 S N -1.260 114.453 115.700 0.021 0.000 2.517 71 S HA 0.097 4.567 4.470 0.001 0.000 0.214 71 S C 0.476 175.122 174.600 0.076 0.000 0.991 71 S CA -0.555 57.669 58.200 0.041 0.000 0.906 71 S CB 0.188 63.419 63.200 0.051 0.000 0.789 71 S HN 0.188 nan 8.310 nan 0.000 0.513 72 F N 3.242 123.149 119.950 -0.073 0.000 2.504 72 F HA 0.519 5.046 4.527 0.001 0.000 0.369 72 F C -0.505 175.193 175.800 -0.169 0.000 1.082 72 F CA -1.093 56.858 58.000 -0.081 0.000 1.216 72 F CB 0.970 39.997 39.000 0.046 0.000 1.108 72 F HN -0.080 nan 8.300 nan 0.000 0.554 73 V N 6.765 126.099 119.914 -0.966 0.000 2.350 73 V HA 0.211 4.331 4.120 0.001 0.000 0.285 73 V C -0.097 175.142 176.094 -1.424 0.000 1.014 73 V CA -0.954 60.698 62.300 -1.080 0.000 0.831 73 V CB 1.189 32.313 31.823 -1.166 0.000 1.000 73 V HN 0.732 nan 8.190 nan 0.000 0.433 74 E N 4.132 123.632 120.200 -1.167 0.000 2.354 74 E HA 0.521 4.872 4.350 0.001 0.000 0.269 74 E C -1.165 175.229 176.600 -0.344 0.000 1.036 74 E CA -0.382 55.547 56.400 -0.786 0.000 0.876 74 E CB 1.012 30.524 29.700 -0.314 0.000 1.009 74 E HN 0.552 nan 8.360 nan 0.000 0.416 75 L N 3.387 124.518 121.223 -0.152 0.000 2.334 75 L HA 0.270 4.611 4.340 0.001 0.000 0.273 75 L C -0.305 176.567 176.870 0.004 0.000 1.013 75 L CA -0.757 54.063 54.840 -0.032 0.000 0.816 75 L CB 1.612 43.700 42.059 0.048 0.000 1.278 75 L HN 0.659 nan 8.230 nan 0.000 0.431 76 D N 1.157 121.559 120.400 0.004 0.000 2.811 76 D HA -0.251 4.390 4.640 0.001 0.000 0.231 76 D C 1.279 177.588 176.300 0.014 0.000 1.157 76 D CA 1.059 55.067 54.000 0.014 0.000 0.716 76 D CB -0.813 40.002 40.800 0.026 0.000 1.077 76 D HN 0.753 nan 8.370 nan 0.000 0.428 77 A N -0.211 122.611 122.820 0.004 0.000 1.948 77 A HA -0.119 4.201 4.320 0.001 0.000 0.220 77 A C 2.135 179.722 177.584 0.006 0.000 1.177 77 A CA 1.302 53.346 52.037 0.011 0.000 0.636 77 A CB -0.237 18.763 19.000 -0.000 0.000 0.815 77 A HN 0.458 nan 8.150 nan 0.000 0.449 78 L N -0.627 120.595 121.223 -0.002 0.000 2.700 78 L HA 0.306 4.646 4.340 0.001 0.000 0.234 78 L C 1.043 177.916 176.870 0.006 0.000 1.156 78 L CA -0.275 54.562 54.840 -0.005 0.000 0.946 78 L CB -0.389 41.660 42.059 -0.017 0.000 1.216 78 L HN 0.348 nan 8.230 nan 0.000 0.493 79 A N 1.151 123.982 122.820 0.018 0.000 2.520 79 A HA 0.317 4.638 4.320 0.001 0.000 0.235 79 A C 0.136 177.746 177.584 0.044 0.000 1.065 79 A CA 0.525 52.580 52.037 0.031 0.000 0.764 79 A CB 0.223 19.248 19.000 0.042 0.000 1.002 79 A HN 0.327 nan 8.150 nan 0.000 0.502 80 K N 0.989 121.412 120.400 0.039 0.000 2.469 80 K HA 0.316 4.637 4.320 0.001 0.000 0.254 80 K C -0.372 176.261 176.600 0.055 0.000 0.939 80 K CA -0.779 55.531 56.287 0.038 0.000 0.812 80 K CB 1.685 34.166 32.500 -0.032 0.000 1.301 80 K HN 0.993 nan 8.250 nan 0.000 0.433 81 H N 1.786 120.902 119.070 0.076 0.000 2.852 81 H HA 0.081 4.638 4.556 0.001 0.000 0.362 81 H C -0.170 175.172 175.328 0.023 0.000 1.122 81 H CA 0.210 56.285 56.048 0.046 0.000 1.419 81 H CB 0.954 30.738 29.762 0.037 0.000 1.401 81 H HN 0.727 nan 8.280 nan 0.000 0.609 82 R N 2.250 122.836 120.500 0.142 0.000 2.613 82 R HA 0.231 4.572 4.340 0.001 0.000 0.361 82 R C -0.456 175.911 176.300 0.112 0.000 1.072 82 R CA -0.534 55.597 56.100 0.051 0.000 1.089 82 R CB 0.213 30.528 30.300 0.025 0.000 1.343 82 R HN 0.336 nan 8.270 nan 0.000 0.571 83 S N 0.644 116.534 115.700 0.316 0.000 2.554 83 S HA 0.221 4.692 4.470 0.001 0.000 0.278 83 S C 0.815 175.513 174.600 0.165 0.000 1.242 83 S CA -0.187 58.119 58.200 0.177 0.000 1.051 83 S CB 1.439 64.669 63.200 0.049 0.000 0.986 83 S HN 0.423 nan 8.310 nan 0.000 0.502 84 T N 0.700 115.285 114.554 0.052 0.000 3.003 84 T HA 0.258 4.609 4.350 0.001 0.000 0.261 84 T C 0.250 174.933 174.700 -0.028 0.000 1.003 84 T CA -0.407 61.710 62.100 0.028 0.000 0.917 84 T CB -0.706 68.160 68.868 -0.004 0.000 1.084 84 T HN 0.658 nan 8.240 nan 0.000 0.522 85 N N 2.070 120.726 118.700 -0.075 0.000 2.293 85 N HA 0.151 4.892 4.740 0.001 0.000 0.253 85 N C -0.806 174.669 175.510 -0.058 0.000 1.248 85 N CA -0.175 52.749 53.050 -0.209 0.000 0.845 85 N CB -0.257 38.137 38.487 -0.156 0.000 1.073 85 N HN 0.163 nan 8.380 nan 0.000 0.464 86 F N 0.993 120.927 119.950 -0.026 0.000 2.943 86 F HA -0.293 4.235 4.527 0.001 0.000 0.258 86 F C 0.442 176.239 175.800 -0.006 0.000 0.995 86 F CA 0.219 58.206 58.000 -0.021 0.000 0.896 86 F CB -2.204 36.772 39.000 -0.039 0.000 0.821 86 F HN 0.637 nan 8.300 nan 0.000 0.828 87 N N -2.154 116.625 118.700 0.131 0.000 2.778 87 N HA -0.268 4.473 4.740 0.001 0.000 0.249 87 N C 1.192 176.782 175.510 0.133 0.000 1.069 87 N CA 1.180 54.298 53.050 0.114 0.000 0.831 87 N CB -1.481 37.073 38.487 0.111 0.000 1.142 87 N HN 0.650 nan 8.380 nan 0.000 0.573 88 L N -0.355 120.947 121.223 0.132 0.000 2.079 88 L HA -0.112 4.229 4.340 0.001 0.000 0.210 88 L C 2.394 179.446 176.870 0.303 0.000 1.081 88 L CA 1.875 56.795 54.840 0.134 0.000 0.752 88 L CB -0.561 41.492 42.059 -0.011 0.000 0.896 88 L HN 0.475 nan 8.230 nan 0.000 0.433 89 G N -0.886 108.050 108.800 0.226 0.000 2.535 89 G HA2 -0.220 3.741 3.960 0.001 0.000 0.218 89 G HA3 -0.220 3.741 3.960 0.001 0.000 0.218 89 G C 1.309 176.275 174.900 0.109 0.000 1.122 89 G CA 0.325 45.517 45.100 0.154 0.000 0.769 89 G HN 0.411 nan 8.290 nan 0.000 0.549 90 E N -0.814 119.469 120.200 0.137 0.000 2.358 90 E HA 0.103 4.454 4.350 0.001 0.000 0.195 90 E C 0.970 177.650 176.600 0.134 0.000 1.010 90 E CA 0.379 56.845 56.400 0.109 0.000 0.856 90 E CB 0.219 29.977 29.700 0.096 0.000 0.795 90 E HN 0.234 nan 8.360 nan 0.000 0.504 91 K N 0.861 121.399 120.400 0.231 0.000 2.559 91 K HA 0.287 4.607 4.320 0.001 0.000 0.249 91 K C -0.963 175.874 176.600 0.395 0.000 0.958 91 K CA -0.417 56.030 56.287 0.266 0.000 0.901 91 K CB 0.740 33.424 32.500 0.307 0.000 1.124 91 K HN -0.160 nan 8.250 nan 0.000 0.437 92 R N 4.273 124.880 120.500 0.180 0.000 2.748 92 R HA 0.241 4.582 4.340 0.001 0.000 0.283 92 R C -2.571 173.793 176.300 0.107 0.000 1.507 92 R CA -1.828 54.330 56.100 0.097 0.000 1.666 92 R CB 0.909 31.105 30.300 -0.174 0.000 1.237 92 R HN 0.375 nan 8.270 nan 0.000 0.633 93 P HA -0.044 nan 4.420 nan 0.000 0.264 93 P C 0.130 177.473 177.300 0.071 0.000 1.193 93 P CA 0.070 63.209 63.100 0.065 0.000 0.763 93 P CB 0.612 32.319 31.700 0.011 0.000 0.810 94 L N 2.624 123.863 121.223 0.027 0.000 2.578 94 L HA 0.088 4.429 4.340 0.001 0.000 0.279 94 L C 1.795 178.683 176.870 0.030 0.000 1.227 94 L CA 1.230 56.081 54.840 0.017 0.000 0.900 94 L CB -0.740 41.311 42.059 -0.015 0.000 1.144 94 L HN 0.852 nan 8.230 nan 0.000 0.496 95 G N 1.809 110.634 108.800 0.042 0.000 2.217 95 G HA2 -0.333 3.628 3.960 0.001 0.000 0.246 95 G HA3 -0.333 3.628 3.960 0.001 0.000 0.246 95 G C 0.527 175.474 174.900 0.078 0.000 0.990 95 G CA 0.340 45.467 45.100 0.045 0.000 0.627 95 G HN 0.825 nan 8.290 nan 0.000 0.522 96 D N -1.398 119.084 120.400 0.137 0.000 3.018 96 D HA 0.048 4.688 4.640 0.001 0.000 0.224 96 D C 1.872 178.351 176.300 0.297 0.000 1.185 96 D CA 3.414 57.558 54.000 0.241 0.000 0.858 96 D CB -1.248 39.701 40.800 0.249 0.000 1.112 96 D HN 2.231 nan 8.370 nan 0.000 0.415 97 G N -2.630 106.271 108.800 0.167 0.000 2.144 97 G HA2 -0.035 3.925 3.960 0.001 0.000 0.218 97 G HA3 -0.035 3.925 3.960 0.001 0.000 0.218 97 G C 0.087 174.933 174.900 -0.089 0.000 0.988 97 G CA 0.263 45.463 45.100 0.167 0.000 0.659 97 G HN 1.193 nan 8.290 nan 0.000 0.522 98 V N -0.177 119.604 119.914 -0.221 0.000 2.932 98 V HA 0.724 4.845 4.120 0.001 0.000 0.307 98 V C -0.724 175.301 176.094 -0.114 0.000 1.147 98 V CA -0.594 61.505 62.300 -0.335 0.000 0.951 98 V CB 2.421 33.749 31.823 -0.825 0.000 1.031 98 V HN 0.606 nan 8.190 nan 0.000 0.426 99 V N 5.274 125.165 119.914 -0.039 0.000 2.417 99 V HA 0.768 4.889 4.120 0.001 0.000 0.291 99 V C 0.187 176.362 176.094 0.136 0.000 1.024 99 V CA 0.002 62.329 62.300 0.044 0.000 0.861 99 V CB 1.691 33.508 31.823 -0.010 0.000 0.985 99 V HN 1.077 nan 8.190 nan 0.000 0.436 100 T N 1.178 115.865 114.554 0.221 0.000 2.906 100 T HA 0.990 5.340 4.350 0.001 0.000 0.295 100 T C -0.056 174.850 174.700 0.342 0.000 1.075 100 T CA -0.095 62.168 62.100 0.272 0.000 1.005 100 T CB 2.343 71.315 68.868 0.173 0.000 1.136 100 T HN 1.369 nan 8.240 nan 0.000 0.498 101 G N 0.320 109.330 108.800 0.351 0.000 2.367 101 G HA2 0.480 4.441 3.960 0.001 0.000 0.272 101 G HA3 0.480 4.441 3.960 0.001 0.000 0.272 101 G C -2.060 173.044 174.900 0.340 0.000 1.271 101 G CA -0.348 44.853 45.100 0.169 0.000 0.893 101 G HN 1.420 nan 8.290 nan 0.000 0.485 102 Y N -1.723 118.639 120.300 0.103 0.000 2.615 102 Y HA 0.907 5.457 4.550 0.001 0.000 0.341 102 Y C 0.388 176.393 175.900 0.174 0.000 1.089 102 Y CA -0.508 57.673 58.100 0.136 0.000 1.049 102 Y CB 1.476 39.967 38.460 0.052 0.000 1.296 102 Y HN 1.654 nan 8.280 nan 0.000 0.470 103 G N -0.021 108.959 108.800 0.300 0.000 2.588 103 G HA2 0.534 4.494 3.960 0.001 0.000 0.281 103 G HA3 0.534 4.494 3.960 0.001 0.000 0.281 103 G C -1.387 173.609 174.900 0.159 0.000 1.223 103 G CA -0.360 44.861 45.100 0.202 0.000 0.871 103 G HN 1.142 nan 8.290 nan 0.000 0.492 104 T N -1.764 112.850 114.554 0.100 0.000 2.907 104 T HA 0.773 5.123 4.350 0.001 0.000 0.292 104 T C -0.839 173.879 174.700 0.030 0.000 1.043 104 T CA -0.633 61.504 62.100 0.061 0.000 1.003 104 T CB 1.971 70.866 68.868 0.046 0.000 1.084 104 T HN 0.550 nan 8.240 nan 0.000 0.483 105 I N 1.850 122.427 120.570 0.012 0.000 2.439 105 I HA 0.294 4.464 4.170 0.001 0.000 0.285 105 I C -0.596 175.512 176.117 -0.015 0.000 1.021 105 I CA -0.651 60.644 61.300 -0.009 0.000 1.091 105 I CB 1.578 39.566 38.000 -0.021 0.000 1.242 105 I HN 0.787 nan 8.210 nan 0.000 0.439 106 D N 5.331 125.721 120.400 -0.016 0.000 2.708 106 D HA -0.192 4.449 4.640 0.001 0.000 0.236 106 D C 1.151 177.444 176.300 -0.012 0.000 1.146 106 D CA 1.572 55.562 54.000 -0.018 0.000 0.662 106 D CB -0.806 39.979 40.800 -0.026 0.000 1.059 106 D HN 1.166 nan 8.370 nan 0.000 0.428 107 G N -0.452 108.346 108.800 -0.004 0.000 2.184 107 G HA2 -0.391 3.570 3.960 0.001 0.000 0.264 107 G HA3 -0.391 3.570 3.960 0.001 0.000 0.264 107 G C 0.389 175.293 174.900 0.007 0.000 0.975 107 G CA 0.723 45.824 45.100 0.002 0.000 0.642 107 G HN 0.524 nan 8.290 nan 0.000 0.536 108 R N 0.472 120.975 120.500 0.004 0.000 2.532 108 R HA 0.481 4.821 4.340 0.001 0.000 0.295 108 R C -0.855 175.457 176.300 0.020 0.000 0.968 108 R CA -0.922 55.181 56.100 0.006 0.000 0.916 108 R CB 0.832 31.128 30.300 -0.008 0.000 1.124 108 R HN 0.084 nan 8.270 nan 0.000 0.463 109 D N 2.097 122.514 120.400 0.028 0.000 2.425 109 D HA 0.148 4.789 4.640 0.001 0.000 0.247 109 D C -0.192 176.139 176.300 0.051 0.000 1.147 109 D CA 0.249 54.281 54.000 0.054 0.000 0.879 109 D CB 1.058 41.883 40.800 0.042 0.000 1.179 109 D HN 0.222 nan 8.370 nan 0.000 0.456 110 V N -0.360 119.607 119.914 0.087 0.000 3.102 110 V HA 0.681 4.802 4.120 0.001 0.000 0.312 110 V C -0.352 175.828 176.094 0.144 0.000 1.135 110 V CA -0.898 61.450 62.300 0.079 0.000 1.022 110 V CB 1.808 33.660 31.823 0.047 0.000 1.056 110 V HN 0.557 nan 8.190 nan 0.000 0.436 111 C N 2.151 121.528 119.300 0.130 0.000 2.454 111 C HA 0.891 5.352 4.460 0.001 0.000 0.336 111 C C -0.171 174.913 174.990 0.157 0.000 1.189 111 C CA -0.398 58.732 59.018 0.187 0.000 1.877 111 C CB 0.760 28.597 27.740 0.161 0.000 2.348 111 C HN 1.009 nan 8.230 nan 0.000 0.508 112 I N 1.932 122.625 120.570 0.204 0.000 2.775 112 I HA 0.651 4.822 4.170 0.001 0.000 0.295 112 I C -1.466 174.773 176.117 0.202 0.000 1.287 112 I CA -0.498 60.869 61.300 0.111 0.000 1.029 112 I CB 1.411 39.432 38.000 0.035 0.000 1.282 112 I HN 0.783 nan 8.210 nan 0.000 0.426 113 F N 4.171 124.152 119.950 0.052 0.000 2.588 113 F HA 0.850 5.378 4.527 0.001 0.000 0.314 113 F C -0.926 174.861 175.800 -0.020 0.000 1.069 113 F CA -0.986 57.023 58.000 0.016 0.000 0.931 113 F CB 1.852 40.858 39.000 0.011 0.000 1.260 113 F HN 0.280 nan 8.300 nan 0.000 0.465 114 S N 1.637 117.403 115.700 0.110 0.000 2.720 114 S HA 0.326 4.797 4.470 0.001 0.000 0.278 114 S C -1.330 173.300 174.600 0.049 0.000 1.172 114 S CA -0.598 57.608 58.200 0.010 0.000 1.019 114 S CB 0.940 64.078 63.200 -0.105 0.000 1.049 114 S HN 0.788 nan 8.310 nan 0.000 0.483 115 Q N 2.399 122.265 119.800 0.110 0.000 2.314 115 Q HA 0.220 4.561 4.340 0.001 0.000 0.258 115 Q C -0.810 175.233 176.000 0.071 0.000 0.954 115 Q CA -0.211 55.642 55.803 0.083 0.000 0.890 115 Q CB 0.711 29.590 28.738 0.236 0.000 1.210 115 Q HN 0.508 nan 8.270 nan 0.000 0.410 116 D N 1.220 121.657 120.400 0.063 0.000 2.467 116 D HA 0.243 4.883 4.640 0.001 0.000 0.220 116 D C 0.170 176.527 176.300 0.095 0.000 1.103 116 D CA -0.302 53.732 54.000 0.057 0.000 0.886 116 D CB 1.065 41.879 40.800 0.024 0.000 1.025 116 D HN 0.637 nan 8.370 nan 0.000 0.514 117 A N 2.668 125.539 122.820 0.085 0.000 2.225 117 A HA -0.114 4.207 4.320 0.001 0.000 0.215 117 A C 1.880 179.494 177.584 0.051 0.000 1.164 117 A CA 1.581 53.669 52.037 0.085 0.000 0.710 117 A CB -0.484 18.561 19.000 0.075 0.000 0.780 117 A HN 0.574 nan 8.150 nan 0.000 0.473 118 T N -3.553 111.015 114.554 0.023 0.000 3.113 118 T HA 0.235 4.586 4.350 0.001 0.000 0.256 118 T C 0.227 174.895 174.700 -0.054 0.000 1.131 118 T CA 0.472 62.564 62.100 -0.014 0.000 1.074 118 T CB -0.249 68.601 68.868 -0.029 0.000 0.944 118 T HN 0.016 nan 8.240 nan 0.000 0.516 119 V N 2.728 122.625 119.914 -0.028 0.000 2.293 119 V HA 0.423 4.544 4.120 0.001 0.000 0.275 119 V C -0.390 175.698 176.094 -0.011 0.000 1.021 119 V CA -1.027 61.201 62.300 -0.120 0.000 0.815 119 V CB -0.581 31.232 31.823 -0.016 0.000 1.025 119 V HN 0.474 nan 8.190 nan 0.000 0.448 120 F N 3.172 123.145 119.950 0.039 0.000 3.090 120 F HA -0.223 4.305 4.527 0.001 0.000 0.282 120 F C 1.673 177.474 175.800 0.002 0.000 0.923 120 F CA 1.126 59.129 58.000 0.005 0.000 0.977 120 F CB -1.752 37.232 39.000 -0.027 0.000 0.954 120 F HN 0.881 nan 8.300 nan 0.000 0.695 121 G N -1.069 107.803 108.800 0.121 0.000 2.187 121 G HA2 0.104 4.065 3.960 0.001 0.000 0.261 121 G HA3 0.104 4.065 3.960 0.001 0.000 0.261 121 G C 1.649 176.614 174.900 0.109 0.000 1.000 121 G CA 1.157 46.314 45.100 0.094 0.000 0.718 121 G HN 2.255 nan 8.290 nan 0.000 0.519 122 G N -1.759 107.134 108.800 0.155 0.000 2.155 122 G HA2 -0.101 3.859 3.960 0.001 0.000 0.257 122 G HA3 -0.101 3.859 3.960 0.001 0.000 0.257 122 G C 0.575 175.566 174.900 0.151 0.000 0.983 122 G CA 0.900 46.136 45.100 0.227 0.000 0.676 122 G HN 1.752 nan 8.290 nan 0.000 0.528 123 S N -0.342 115.367 115.700 0.016 0.000 2.549 123 S HA 0.372 4.843 4.470 0.001 0.000 0.286 123 S C 0.578 174.853 174.600 -0.542 0.000 1.314 123 S CA -0.099 57.977 58.200 -0.206 0.000 1.062 123 S CB 1.285 64.405 63.200 -0.134 0.000 0.865 123 S HN 0.780 nan 8.310 nan 0.000 0.498 124 L N 3.906 124.664 121.223 -0.776 0.000 2.331 124 L HA 0.614 4.955 4.340 0.001 0.000 0.278 124 L C 0.614 177.071 176.870 -0.688 0.000 1.106 124 L CA 0.119 54.243 54.840 -1.193 0.000 0.824 124 L CB 0.123 41.741 42.059 -0.734 0.000 1.142 124 L HN 0.684 nan 8.230 nan 0.000 0.443 125 G N 2.574 111.053 108.800 -0.536 0.000 3.016 125 G HA2 0.190 4.151 3.960 0.001 0.000 0.270 125 G HA3 0.190 4.151 3.960 0.001 0.000 0.270 125 G C 0.131 174.929 174.900 -0.169 0.000 1.352 125 G CA -0.077 44.837 45.100 -0.310 0.000 1.060 125 G HN 0.747 nan 8.290 nan 0.000 0.538 126 E N -1.333 118.800 120.200 -0.111 0.000 2.038 126 E HA -0.165 4.186 4.350 0.001 0.000 0.195 126 E C 2.438 179.046 176.600 0.014 0.000 1.000 126 E CA 1.669 58.038 56.400 -0.052 0.000 0.803 126 E CB -0.076 29.601 29.700 -0.037 0.000 0.750 126 E HN 0.178 nan 8.360 nan 0.000 0.448 127 V N 0.479 120.428 119.914 0.060 0.000 2.323 127 V HA -0.223 3.898 4.120 0.001 0.000 0.244 127 V C 2.152 178.334 176.094 0.146 0.000 1.041 127 V CA 1.825 64.182 62.300 0.095 0.000 1.025 127 V CB -0.803 31.087 31.823 0.113 0.000 0.656 127 V HN 0.428 nan 8.190 nan 0.000 0.451 128 Y N 2.387 122.695 120.300 0.012 0.000 2.102 128 Y HA -0.246 4.304 4.550 0.001 0.000 0.280 128 Y C 2.297 178.171 175.900 -0.043 0.000 1.178 128 Y CA 1.727 59.828 58.100 0.002 0.000 1.146 128 Y CB -1.096 37.373 38.460 0.014 0.000 0.968 128 Y HN 0.179 nan 8.280 nan 0.000 0.504 129 G N -0.382 108.581 108.800 0.272 0.000 2.402 129 G HA2 -0.231 3.730 3.960 0.001 0.000 0.216 129 G HA3 -0.231 3.730 3.960 0.001 0.000 0.216 129 G C 1.544 176.468 174.900 0.040 0.000 1.162 129 G CA 0.805 45.977 45.100 0.121 0.000 0.777 129 G HN 0.536 nan 8.290 nan 0.000 0.539 130 E N 0.431 120.654 120.200 0.039 0.000 2.097 130 E HA -0.163 4.187 4.350 0.001 0.000 0.196 130 E C 2.519 179.128 176.600 0.015 0.000 1.000 130 E CA 1.164 57.577 56.400 0.020 0.000 0.804 130 E CB -0.091 29.624 29.700 0.026 0.000 0.740 130 E HN 0.402 nan 8.360 nan 0.000 0.454 131 K N 0.315 120.727 120.400 0.020 0.000 2.097 131 K HA -0.088 4.233 4.320 0.001 0.000 0.205 131 K C 2.156 178.742 176.600 -0.023 0.000 1.050 131 K CA 0.910 57.201 56.287 0.007 0.000 0.938 131 K CB -0.048 32.453 32.500 0.000 0.000 0.718 131 K HN 0.135 nan 8.250 nan 0.000 0.442 132 I N 0.625 121.139 120.570 -0.093 0.000 2.202 132 I HA -0.260 3.911 4.170 0.001 0.000 0.242 132 I C 2.177 178.231 176.117 -0.105 0.000 1.091 132 I CA 0.952 62.119 61.300 -0.221 0.000 1.368 132 I CB -0.278 37.444 38.000 -0.465 0.000 1.058 132 I HN -0.077 nan 8.210 nan 0.000 0.410 133 V N 1.253 121.131 119.914 -0.060 0.000 2.324 133 V HA -0.365 3.755 4.120 0.001 0.000 0.250 133 V C 2.555 178.655 176.094 0.010 0.000 1.060 133 V CA 2.185 64.473 62.300 -0.019 0.000 1.042 133 V CB -0.772 31.043 31.823 -0.014 0.000 0.650 133 V HN 0.448 nan 8.190 nan 0.000 0.450 134 K N 0.311 120.722 120.400 0.018 0.000 2.063 134 K HA -0.188 4.133 4.320 0.001 0.000 0.208 134 K C 2.047 178.682 176.600 0.058 0.000 1.048 134 K CA 2.127 58.435 56.287 0.035 0.000 0.928 134 K CB -0.190 32.334 32.500 0.040 0.000 0.713 134 K HN 0.516 nan 8.250 nan 0.000 0.442 135 V N -1.272 118.692 119.914 0.084 0.000 2.667 135 V HA -0.148 3.972 4.120 0.001 0.000 0.252 135 V C 2.034 178.204 176.094 0.127 0.000 1.065 135 V CA 1.144 63.523 62.300 0.132 0.000 1.083 135 V CB -0.666 31.284 31.823 0.211 0.000 0.692 135 V HN 0.295 nan 8.190 nan 0.000 0.468 136 Q N 0.684 120.548 119.800 0.107 0.000 2.020 136 Q HA -0.211 4.130 4.340 0.001 0.000 0.202 136 Q C 2.389 178.432 176.000 0.072 0.000 0.982 136 Q CA 2.348 58.212 55.803 0.102 0.000 0.838 136 Q CB -0.251 28.533 28.738 0.078 0.000 0.899 136 Q HN 0.763 nan 8.270 nan 0.000 0.423 137 E N 0.441 120.672 120.200 0.051 0.000 2.077 137 E HA -0.198 4.152 4.350 0.001 0.000 0.193 137 E C 2.004 178.621 176.600 0.028 0.000 0.989 137 E CA 0.740 57.161 56.400 0.035 0.000 0.800 137 E CB -0.105 29.610 29.700 0.025 0.000 0.746 137 E HN 0.150 nan 8.360 nan 0.000 0.452 138 L N 1.147 122.388 121.223 0.029 0.000 2.012 138 L HA -0.175 4.166 4.340 0.001 0.000 0.210 138 L C 2.230 179.104 176.870 0.006 0.000 1.073 138 L CA 2.075 56.918 54.840 0.005 0.000 0.748 138 L CB -0.661 41.400 42.059 0.003 0.000 0.891 138 L HN 0.047 nan 8.230 nan 0.000 0.431 139 A N -0.149 122.696 122.820 0.041 0.000 1.865 139 A HA -0.213 4.107 4.320 0.001 0.000 0.217 139 A C 2.269 179.877 177.584 0.040 0.000 1.191 139 A CA 2.220 54.285 52.037 0.047 0.000 0.623 139 A CB -0.964 18.084 19.000 0.080 0.000 0.826 139 A HN 0.513 nan 8.150 nan 0.000 0.444 140 I N -0.204 120.395 120.570 0.048 0.000 2.151 140 I HA -0.320 3.850 4.170 0.001 0.000 0.243 140 I C 2.619 178.753 176.117 0.029 0.000 1.080 140 I CA 2.132 63.459 61.300 0.045 0.000 1.339 140 I CB -0.340 37.688 38.000 0.046 0.000 1.039 140 I HN 0.460 nan 8.210 nan 0.000 0.409 141 K N 0.979 121.389 120.400 0.016 0.000 2.097 141 K HA -0.169 4.151 4.320 0.001 0.000 0.205 141 K C 2.012 178.608 176.600 -0.006 0.000 1.050 141 K CA 1.999 58.288 56.287 0.003 0.000 0.938 141 K CB -0.131 32.366 32.500 -0.005 0.000 0.718 141 K HN 0.452 nan 8.250 nan 0.000 0.442 142 T N -2.921 111.624 114.554 -0.014 0.000 3.088 142 T HA 0.134 4.485 4.350 0.001 0.000 0.259 142 T C 1.181 175.878 174.700 -0.005 0.000 1.122 142 T CA 0.496 62.581 62.100 -0.025 0.000 1.095 142 T CB -0.141 68.694 68.868 -0.055 0.000 0.930 142 T HN 0.390 nan 8.240 nan 0.000 0.508 143 G N 2.097 110.904 108.800 0.012 0.000 2.272 143 G HA2 -0.197 3.763 3.960 0.001 0.000 0.280 143 G HA3 -0.197 3.763 3.960 0.001 0.000 0.280 143 G C -0.191 174.723 174.900 0.024 0.000 1.067 143 G CA -0.365 44.751 45.100 0.028 0.000 0.902 143 G HN 0.603 nan 8.290 nan 0.000 0.500 144 R N -0.703 119.810 120.500 0.020 0.000 2.750 144 R HA 0.539 4.880 4.340 0.001 0.000 0.281 144 R C -2.639 173.671 176.300 0.016 0.000 0.972 144 R CA -2.470 53.637 56.100 0.012 0.000 0.912 144 R CB 1.126 31.431 30.300 0.009 0.000 1.187 144 R HN 0.031 nan 8.270 nan 0.000 0.464 145 P HA 0.001 nan 4.420 nan 0.000 0.266 145 P C -0.581 176.734 177.300 0.026 0.000 1.193 145 P CA -0.226 62.864 63.100 -0.016 0.000 0.770 145 P CB 0.456 32.125 31.700 -0.051 0.000 0.836 146 L N 4.474 125.721 121.223 0.040 0.000 2.305 146 L HA 0.503 4.844 4.340 0.001 0.000 0.284 146 L C -1.078 175.809 176.870 0.028 0.000 1.013 146 L CA -0.312 54.572 54.840 0.073 0.000 0.819 146 L CB 0.692 42.828 42.059 0.129 0.000 1.227 146 L HN 0.162 nan 8.230 nan 0.000 0.417 147 I N 4.800 125.355 120.570 -0.024 0.000 2.354 147 I HA 0.631 4.802 4.170 0.001 0.000 0.292 147 I C 0.608 176.488 176.117 -0.396 0.000 0.989 147 I CA -0.046 61.182 61.300 -0.120 0.000 1.188 147 I CB 1.759 39.709 38.000 -0.084 0.000 1.342 147 I HN 0.738 nan 8.210 nan 0.000 0.457 148 G N 6.963 115.440 108.800 -0.539 0.000 2.416 148 G HA2 0.732 4.693 3.960 0.001 0.000 0.324 148 G HA3 0.732 4.693 3.960 0.001 0.000 0.324 148 G C -0.669 173.879 174.900 -0.588 0.000 1.194 148 G CA -0.443 43.883 45.100 -1.291 0.000 0.922 148 G HN 0.487 nan 8.290 nan 0.000 0.467 149 I N 2.078 122.340 120.570 -0.513 0.000 2.330 149 I HA 0.207 4.377 4.170 0.001 0.000 0.289 149 I C -0.771 175.351 176.117 0.009 0.000 1.001 149 I CA -0.829 60.391 61.300 -0.134 0.000 1.193 149 I CB 1.553 39.517 38.000 -0.060 0.000 1.345 149 I HN 0.346 nan 8.210 nan 0.000 0.461 150 N N 5.111 123.854 118.700 0.072 0.000 2.408 150 N HA 0.493 5.233 4.740 0.001 0.000 0.280 150 N C -1.067 174.521 175.510 0.130 0.000 1.002 150 N CA -0.583 52.566 53.050 0.165 0.000 0.907 150 N CB 1.309 39.884 38.487 0.146 0.000 1.161 150 N HN 0.438 nan 8.380 nan 0.000 0.488 151 D N 1.273 121.781 120.400 0.181 0.000 2.362 151 D HA 0.471 5.112 4.640 0.001 0.000 0.228 151 D C -1.074 175.336 176.300 0.184 0.000 1.326 151 D CA -0.204 53.881 54.000 0.141 0.000 0.927 151 D CB 0.211 41.072 40.800 0.102 0.000 1.501 151 D HN 0.685 nan 8.370 nan 0.000 0.519 152 G N 0.424 109.347 108.800 0.205 0.000 2.355 152 G HA2 0.513 4.474 3.960 0.001 0.000 0.296 152 G HA3 0.513 4.474 3.960 0.001 0.000 0.296 152 G C -0.051 174.942 174.900 0.155 0.000 1.507 152 G CA -0.097 45.110 45.100 0.180 0.000 0.823 152 G HN 0.387 nan 8.290 nan 0.000 0.569 153 A N -0.498 122.362 122.820 0.065 0.000 2.238 153 A HA 0.604 4.925 4.320 0.001 0.000 0.208 153 A C 1.746 179.320 177.584 -0.018 0.000 1.177 153 A CA 1.570 53.640 52.037 0.055 0.000 0.804 153 A CB -0.941 18.090 19.000 0.053 0.000 0.823 153 A HN 2.842 nan 8.150 nan 0.000 0.482 154 G N -1.383 107.242 108.800 -0.292 0.000 2.860 154 G HA2 0.263 4.223 3.960 0.001 0.000 0.553 154 G HA3 0.263 4.223 3.960 0.001 0.000 0.553 154 G C 0.277 175.089 174.900 -0.146 0.000 1.439 154 G CA -0.408 44.524 45.100 -0.280 0.000 0.879 154 G HN 1.806 nan 8.290 nan 0.000 0.545 155 A N 0.464 123.199 122.820 -0.141 0.000 2.591 155 A HA 0.359 4.680 4.320 0.001 0.000 0.244 155 A C 1.236 178.647 177.584 -0.289 0.000 1.031 155 A CA 1.259 53.049 52.037 -0.412 0.000 0.767 155 A CB -0.047 18.604 19.000 -0.582 0.000 0.942 155 A HN 0.884 nan 8.150 nan 0.000 0.514 156 R N 2.673 122.972 120.500 -0.335 0.000 2.507 156 R HA 0.036 4.377 4.340 0.001 0.000 0.341 156 R C 0.770 176.929 176.300 -0.235 0.000 0.960 156 R CA 0.032 55.960 56.100 -0.286 0.000 1.032 156 R CB -0.112 29.966 30.300 -0.369 0.000 0.933 156 R HN 0.781 nan 8.270 nan 0.000 0.418 157 I N 2.191 122.651 120.570 -0.184 0.000 2.208 157 I HA -0.391 3.780 4.170 0.001 0.000 0.245 157 I C 2.159 178.201 176.117 -0.125 0.000 1.097 157 I CA 1.345 62.556 61.300 -0.147 0.000 1.363 157 I CB -0.215 37.700 38.000 -0.142 0.000 1.051 157 I HN 0.590 nan 8.210 nan 0.000 0.413 158 Q N 0.861 120.568 119.800 -0.155 0.000 2.152 158 Q HA -0.260 4.081 4.340 0.001 0.000 0.206 158 Q C 1.883 177.911 176.000 0.046 0.000 0.985 158 Q CA 1.628 57.415 55.803 -0.028 0.000 0.863 158 Q CB -0.548 28.125 28.738 -0.108 0.000 0.904 158 Q HN 0.660 nan 8.270 nan 0.000 0.422 159 E N 0.300 120.434 120.200 -0.111 0.000 2.216 159 E HA 0.075 4.425 4.350 0.001 0.000 0.192 159 E C 0.957 177.513 176.600 -0.073 0.000 0.988 159 E CA 0.478 56.806 56.400 -0.120 0.000 0.834 159 E CB 0.124 29.703 29.700 -0.202 0.000 0.772 159 E HN 0.412 nan 8.360 nan 0.000 0.479 160 G N 0.563 109.324 108.800 -0.064 0.000 2.615 160 G HA2 -0.327 3.634 3.960 0.001 0.000 0.218 160 G HA3 -0.327 3.634 3.960 0.001 0.000 0.218 160 G C 0.875 175.725 174.900 -0.085 0.000 1.339 160 G CA 0.120 45.192 45.100 -0.045 0.000 0.884 160 G HN 0.400 nan 8.290 nan 0.000 0.559 161 V N -1.282 118.596 119.914 -0.060 0.000 2.660 161 V HA -0.101 4.020 4.120 0.001 0.000 0.257 161 V C 2.800 178.843 176.094 -0.086 0.000 1.088 161 V CA 2.814 65.075 62.300 -0.065 0.000 1.106 161 V CB -1.010 30.793 31.823 -0.033 0.000 0.686 161 V HN 2.025 nan 8.190 nan 0.000 0.481 162 V N 2.182 122.043 119.914 -0.089 0.000 2.380 162 V HA -0.275 3.846 4.120 0.001 0.000 0.251 162 V C 2.965 178.969 176.094 -0.150 0.000 1.063 162 V CA 3.082 65.324 62.300 -0.097 0.000 1.055 162 V CB -0.514 31.260 31.823 -0.082 0.000 0.657 162 V HN 0.978 nan 8.190 nan 0.000 0.455 163 S N -0.348 115.224 115.700 -0.214 0.000 2.382 163 S HA -0.164 4.306 4.470 0.001 0.000 0.228 163 S C 1.919 176.250 174.600 -0.449 0.000 1.027 163 S CA 1.931 59.919 58.200 -0.352 0.000 0.991 163 S CB -0.688 62.257 63.200 -0.425 0.000 0.823 163 S HN 0.594 nan 8.310 nan 0.000 0.469 164 L N 1.343 122.378 121.223 -0.313 0.000 2.109 164 L HA 0.083 4.424 4.340 0.001 0.000 0.207 164 L C 3.034 179.867 176.870 -0.062 0.000 1.086 164 L CA 1.001 55.730 54.840 -0.186 0.000 0.760 164 L CB -1.325 40.697 42.059 -0.061 0.000 0.910 164 L HN 0.520 nan 8.230 nan 0.000 0.437 165 G N 0.356 109.112 108.800 -0.074 0.000 2.440 165 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 165 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 165 G C 1.556 176.421 174.900 -0.059 0.000 1.154 165 G CA 0.359 45.432 45.100 -0.045 0.000 0.767 165 G HN 0.101 nan 8.290 nan 0.000 0.552 166 L N -0.469 120.696 121.223 -0.096 0.000 2.093 166 L HA -0.009 4.331 4.340 0.001 0.000 0.208 166 L C 2.688 179.505 176.870 -0.088 0.000 1.085 166 L CA 1.175 55.963 54.840 -0.087 0.000 0.755 166 L CB -1.271 40.732 42.059 -0.093 0.000 0.904 166 L HN 0.195 nan 8.230 nan 0.000 0.435 167 Y N 0.657 120.767 120.300 -0.316 0.000 2.081 167 Y HA -0.263 4.288 4.550 0.001 0.000 0.280 167 Y C 3.042 178.406 175.900 -0.894 0.000 1.163 167 Y CA 1.284 58.997 58.100 -0.644 0.000 1.135 167 Y CB -1.030 37.181 38.460 -0.414 0.000 0.970 167 Y HN 0.166 nan 8.280 nan 0.000 0.498 168 S N -0.326 115.258 115.700 -0.193 0.000 2.370 168 S HA -0.186 4.284 4.470 0.001 0.000 0.226 168 S C 2.122 176.696 174.600 -0.044 0.000 1.033 168 S CA 1.141 59.325 58.200 -0.027 0.000 1.011 168 S CB -0.180 63.063 63.200 0.071 0.000 0.852 168 S HN 0.397 nan 8.310 nan 0.000 0.457 169 R N 0.420 120.880 120.500 -0.067 0.000 2.096 169 R HA 0.007 4.348 4.340 0.001 0.000 0.235 169 R C 2.212 178.486 176.300 -0.045 0.000 1.127 169 R CA 1.150 57.228 56.100 -0.035 0.000 0.968 169 R CB -0.579 29.701 30.300 -0.034 0.000 0.861 169 R HN 0.430 nan 8.270 nan 0.000 0.440 170 I N 0.180 120.674 120.570 -0.126 0.000 2.163 170 I HA -0.273 3.898 4.170 0.001 0.000 0.240 170 I C 1.964 178.089 176.117 0.014 0.000 1.081 170 I CA 1.268 62.505 61.300 -0.106 0.000 1.353 170 I CB -0.367 37.525 38.000 -0.180 0.000 1.054 170 I HN -0.030 nan 8.210 nan 0.000 0.407 171 F N 0.771 120.747 119.950 0.043 0.000 2.091 171 F HA -0.222 4.306 4.527 0.001 0.000 0.299 171 F C 2.655 178.467 175.800 0.018 0.000 1.103 171 F CA 1.275 59.290 58.000 0.025 0.000 1.228 171 F CB -1.174 37.832 39.000 0.011 0.000 0.984 171 F HN -0.008 nan 8.300 nan 0.000 0.477 172 R N 0.692 121.311 120.500 0.199 0.000 2.081 172 R HA -0.152 4.189 4.340 0.001 0.000 0.235 172 R C 1.898 178.248 176.300 0.083 0.000 1.131 172 R CA 1.271 57.439 56.100 0.112 0.000 0.960 172 R CB -0.629 29.717 30.300 0.076 0.000 0.856 172 R HN 0.272 nan 8.270 nan 0.000 0.436 173 N N 0.825 119.571 118.700 0.076 0.000 2.166 173 N HA -0.123 4.618 4.740 0.001 0.000 0.186 173 N C 1.395 176.959 175.510 0.090 0.000 1.019 173 N CA 1.187 54.279 53.050 0.070 0.000 0.856 173 N CB -0.500 38.021 38.487 0.057 0.000 0.993 173 N HN 0.379 nan 8.380 nan 0.000 0.426 174 N N 0.357 119.128 118.700 0.119 0.000 2.120 174 N HA -0.032 4.708 4.740 0.001 0.000 0.188 174 N C 1.688 177.251 175.510 0.088 0.000 1.024 174 N CA 0.760 53.885 53.050 0.125 0.000 0.852 174 N CB -0.006 38.580 38.487 0.165 0.000 1.003 174 N HN 0.187 nan 8.380 nan 0.000 0.424 175 I N 0.238 120.852 120.570 0.074 0.000 2.202 175 I HA -0.210 3.961 4.170 0.001 0.000 0.242 175 I C 2.165 178.300 176.117 0.030 0.000 1.091 175 I CA 0.568 61.888 61.300 0.035 0.000 1.368 175 I CB -0.201 37.810 38.000 0.018 0.000 1.058 175 I HN 0.147 nan 8.210 nan 0.000 0.410 176 L N 1.301 122.548 121.223 0.040 0.000 2.013 176 L HA -0.221 4.120 4.340 0.001 0.000 0.212 176 L C 2.426 179.323 176.870 0.045 0.000 1.073 176 L CA 2.313 57.175 54.840 0.037 0.000 0.753 176 L CB -0.688 41.395 42.059 0.040 0.000 0.890 176 L HN 0.223 nan 8.230 nan 0.000 0.432 177 A N -1.651 121.207 122.820 0.063 0.000 2.172 177 A HA -0.028 4.292 4.320 0.001 0.000 0.216 177 A C 1.571 179.212 177.584 0.095 0.000 1.154 177 A CA 0.814 52.901 52.037 0.083 0.000 0.701 177 A CB -0.768 18.291 19.000 0.098 0.000 0.789 177 A HN 0.429 nan 8.150 nan 0.000 0.465 178 S N -0.152 115.587 115.700 0.065 0.000 2.509 178 S HA 0.385 4.856 4.470 0.001 0.000 0.287 178 S C 1.384 175.995 174.600 0.017 0.000 1.248 178 S CA 0.798 59.031 58.200 0.054 0.000 1.089 178 S CB -0.382 62.829 63.200 0.017 0.000 0.900 178 S HN 1.752 nan 8.310 nan 0.000 0.496 179 G N 3.050 111.871 108.800 0.034 0.000 2.179 179 G HA2 -0.241 3.720 3.960 0.001 0.000 0.260 179 G HA3 -0.241 3.720 3.960 0.001 0.000 0.260 179 G C 0.580 175.358 174.900 -0.203 0.000 0.977 179 G CA 0.356 45.313 45.100 -0.238 0.000 0.641 179 G HN 0.780 nan 8.290 nan 0.000 0.533 180 V N 0.531 120.506 119.914 0.101 0.000 2.743 180 V HA 0.409 4.529 4.120 0.001 0.000 0.237 180 V C 1.272 177.562 176.094 0.326 0.000 1.113 180 V CA 1.667 64.050 62.300 0.139 0.000 1.141 180 V CB 0.091 31.964 31.823 0.082 0.000 0.873 180 V HN 0.713 nan 8.190 nan 0.000 0.486 181 I N -1.841 118.927 120.570 0.330 0.000 2.608 181 I HA 0.606 4.777 4.170 0.001 0.000 0.295 181 I C -3.059 173.123 176.117 0.108 0.000 1.049 181 I CA -2.766 58.666 61.300 0.220 0.000 1.063 181 I CB 2.008 40.071 38.000 0.105 0.000 1.248 181 I HN -0.054 nan 8.210 nan 0.000 0.424 182 P HA 0.091 nan 4.420 nan 0.000 0.264 182 P C -1.339 175.911 177.300 -0.084 0.000 1.193 182 P CA 0.257 63.093 63.100 -0.441 0.000 0.763 182 P CB 0.384 31.768 31.700 -0.527 0.000 0.810 183 Q N 2.987 122.791 119.800 0.006 0.000 2.341 183 Q HA 0.486 4.827 4.340 0.001 0.000 0.268 183 Q C -0.745 175.308 176.000 0.088 0.000 1.013 183 Q CA -0.692 55.148 55.803 0.061 0.000 0.798 183 Q CB 1.463 30.258 28.738 0.093 0.000 1.253 183 Q HN 0.305 nan 8.270 nan 0.000 0.457 184 I N 1.737 122.361 120.570 0.089 0.000 2.404 184 I HA 0.357 4.528 4.170 0.001 0.000 0.293 184 I C -0.127 176.031 176.117 0.068 0.000 0.992 184 I CA -0.805 60.571 61.300 0.126 0.000 1.149 184 I CB 1.561 39.626 38.000 0.108 0.000 1.315 184 I HN 0.419 nan 8.210 nan 0.000 0.446 185 S N 6.871 122.628 115.700 0.095 0.000 2.456 185 S HA 0.640 5.111 4.470 0.001 0.000 0.316 185 S C -0.192 174.450 174.600 0.070 0.000 1.089 185 S CA -0.599 57.633 58.200 0.055 0.000 1.101 185 S CB 1.390 64.635 63.200 0.075 0.000 0.995 185 S HN 0.365 nan 8.310 nan 0.000 0.468 186 L N 4.218 125.463 121.223 0.036 0.000 2.257 186 L HA 0.429 4.770 4.340 0.001 0.000 0.290 186 L C -0.621 176.268 176.870 0.032 0.000 1.044 186 L CA -0.532 54.339 54.840 0.051 0.000 0.810 186 L CB 0.546 42.653 42.059 0.079 0.000 1.193 186 L HN 0.490 nan 8.230 nan 0.000 0.425 187 I N 5.305 125.888 120.570 0.023 0.000 2.304 187 I HA 0.228 4.399 4.170 0.001 0.000 0.291 187 I C 0.515 176.634 176.117 0.005 0.000 1.018 187 I CA 0.062 61.369 61.300 0.011 0.000 1.260 187 I CB 1.290 39.285 38.000 -0.008 0.000 1.390 187 I HN 0.812 nan 8.210 nan 0.000 0.475 188 M N 4.293 123.903 119.600 0.017 0.000 2.340 188 M HA 0.342 4.823 4.480 0.001 0.000 0.345 188 M C 0.651 176.964 176.300 0.022 0.000 1.008 188 M CA -0.066 55.239 55.300 0.008 0.000 0.987 188 M CB 1.629 34.240 32.600 0.018 0.000 1.598 188 M HN 0.711 nan 8.290 nan 0.000 0.569 189 G N 0.499 109.318 108.800 0.032 0.000 2.706 189 G HA2 0.687 4.647 3.960 0.001 0.000 0.307 189 G HA3 0.687 4.647 3.960 0.001 0.000 0.307 189 G C -1.755 173.167 174.900 0.038 0.000 1.307 189 G CA -0.559 44.566 45.100 0.042 0.000 0.790 189 G HN 0.120 nan 8.290 nan 0.000 0.503 190 A N -0.414 122.436 122.820 0.051 0.000 2.395 190 A HA 0.662 4.983 4.320 0.001 0.000 0.286 190 A C 0.493 178.046 177.584 -0.052 0.000 1.193 190 A CA 0.577 52.630 52.037 0.026 0.000 0.852 190 A CB -0.231 18.838 19.000 0.115 0.000 1.118 190 A HN 1.960 nan 8.150 nan 0.000 0.524 191 A N 2.836 125.544 122.820 -0.186 0.000 2.256 191 A HA 0.707 5.028 4.320 0.001 0.000 0.317 191 A C 0.215 177.491 177.584 -0.515 0.000 1.318 191 A CA 0.209 52.124 52.037 -0.203 0.000 0.894 191 A CB 0.295 19.162 19.000 -0.222 0.000 1.165 191 A HN 1.938 nan 8.150 nan 0.000 0.525 192 A N 2.196 124.853 122.820 -0.271 0.000 2.386 192 A HA 0.973 5.293 4.320 0.001 0.000 0.311 192 A C 0.533 178.148 177.584 0.052 0.000 1.068 192 A CA 0.144 51.943 52.037 -0.397 0.000 0.743 192 A CB 0.977 19.830 19.000 -0.246 0.000 1.258 192 A HN 2.796 nan 8.150 nan 0.000 0.429 193 G N 0.459 109.265 108.800 0.009 0.000 2.548 193 G HA2 0.271 4.232 3.960 0.001 0.000 0.208 193 G HA3 0.271 4.232 3.960 0.001 0.000 0.208 193 G C 0.991 175.957 174.900 0.111 0.000 1.308 193 G CA 0.290 45.479 45.100 0.147 0.000 0.924 193 G HN 1.912 nan 8.290 nan 0.000 0.540 194 G N -0.831 108.124 108.800 0.259 0.000 2.422 194 G HA2 -0.025 3.935 3.960 0.001 0.000 0.218 194 G HA3 -0.025 3.935 3.960 0.001 0.000 0.218 194 G C 1.345 176.217 174.900 -0.046 0.000 1.146 194 G CA 2.085 47.279 45.100 0.156 0.000 0.769 194 G HN 1.654 nan 8.290 nan 0.000 0.547 195 H N -0.430 118.404 119.070 -0.394 0.000 2.521 195 H HA 0.117 4.674 4.556 0.001 0.000 0.286 195 H C 2.268 177.556 175.328 -0.068 0.000 1.034 195 H CA 0.777 56.605 56.048 -0.366 0.000 1.278 195 H CB -0.303 29.266 29.762 -0.321 0.000 1.386 195 H HN 0.241 nan 8.280 nan 0.000 0.567 196 V N -1.734 117.857 119.914 -0.538 0.000 2.867 196 V HA -0.237 3.884 4.120 0.001 0.000 0.260 196 V C 1.563 177.490 176.094 -0.277 0.000 1.099 196 V CA 1.040 63.057 62.300 -0.471 0.000 1.122 196 V CB -1.252 30.255 31.823 -0.528 0.000 0.708 196 V HN 0.264 nan 8.190 nan 0.000 0.490 197 Y N 1.418 121.578 120.300 -0.233 0.000 2.333 197 Y HA -0.077 4.473 4.550 0.001 0.000 0.290 197 Y C 3.063 178.831 175.900 -0.219 0.000 1.144 197 Y CA 1.104 58.999 58.100 -0.342 0.000 1.228 197 Y CB -0.897 37.130 38.460 -0.723 0.000 0.985 197 Y HN 0.433 nan 8.280 nan 0.000 0.542 198 S N 0.042 115.860 115.700 0.197 0.000 2.338 198 S HA -0.096 4.375 4.470 0.001 0.000 0.218 198 S C -0.402 174.292 174.600 0.158 0.000 1.032 198 S CA 1.249 59.622 58.200 0.289 0.000 0.999 198 S CB -1.150 62.284 63.200 0.390 0.000 0.905 198 S HN 0.166 nan 8.310 nan 0.000 0.439 199 P HA -0.106 nan 4.420 nan 0.000 0.216 199 P C 1.496 178.823 177.300 0.044 0.000 1.154 199 P CA 1.883 65.022 63.100 0.065 0.000 0.865 199 P CB -0.366 31.336 31.700 0.003 0.000 0.789 200 A N -0.948 121.881 122.820 0.015 0.000 1.940 200 A HA -0.169 4.152 4.320 0.001 0.000 0.219 200 A C 2.175 179.770 177.584 0.018 0.000 1.176 200 A CA 1.510 53.555 52.037 0.012 0.000 0.631 200 A CB -1.618 17.399 19.000 0.029 0.000 0.814 200 A HN 0.168 nan 8.150 nan 0.000 0.446 201 L N 0.150 121.388 121.223 0.025 0.000 2.395 201 L HA -0.003 4.338 4.340 0.001 0.000 0.218 201 L C 1.771 178.662 176.870 0.035 0.000 1.130 201 L CA 0.703 55.553 54.840 0.017 0.000 0.826 201 L CB -0.681 41.396 42.059 0.030 0.000 0.941 201 L HN 0.570 nan 8.230 nan 0.000 0.451 202 T N -4.135 110.451 114.554 0.053 0.000 2.754 202 T HA 0.033 4.384 4.350 0.001 0.000 0.286 202 T C 0.825 175.503 174.700 -0.036 0.000 0.997 202 T CA -0.554 61.573 62.100 0.044 0.000 0.982 202 T CB 0.949 69.865 68.868 0.081 0.000 1.027 202 T HN 0.010 nan 8.240 nan 0.000 0.529 203 D N -0.450 119.879 120.400 -0.118 0.000 2.213 203 D HA 0.123 4.764 4.640 0.001 0.000 0.205 203 D C -0.218 175.527 176.300 -0.926 0.000 0.961 203 D CA 1.067 54.790 54.000 -0.462 0.000 0.853 203 D CB 0.033 40.544 40.800 -0.482 0.000 0.967 203 D HN 0.458 nan 8.370 nan 0.000 0.496 204 F N 0.098 119.964 119.950 -0.140 0.000 2.574 204 F HA 0.314 4.841 4.527 0.001 0.000 0.313 204 F C -0.417 175.396 175.800 0.021 0.000 1.130 204 F CA -1.049 56.773 58.000 -0.296 0.000 0.936 204 F CB 2.118 41.025 39.000 -0.155 0.000 1.219 204 F HN -0.440 nan 8.300 nan 0.000 0.445 205 V N 5.224 125.418 119.914 0.466 0.000 2.357 205 V HA 0.479 4.600 4.120 0.001 0.000 0.284 205 V C -0.503 175.768 176.094 0.295 0.000 1.018 205 V CA -0.579 61.916 62.300 0.325 0.000 0.841 205 V CB 1.427 33.380 31.823 0.217 0.000 0.991 205 V HN 0.409 nan 8.190 nan 0.000 0.437 206 I N 5.878 126.562 120.570 0.190 0.000 2.355 206 I HA 0.518 4.689 4.170 0.001 0.000 0.288 206 I C -0.011 176.142 176.117 0.060 0.000 0.999 206 I CA -0.498 60.886 61.300 0.141 0.000 1.163 206 I CB 1.309 39.409 38.000 0.167 0.000 1.316 206 I HN 0.500 nan 8.210 nan 0.000 0.454 207 M N 5.054 124.655 119.600 0.002 0.000 2.598 207 M HA 0.553 5.034 4.480 0.001 0.000 0.317 207 M C -0.467 175.782 176.300 -0.086 0.000 1.201 207 M CA -1.075 54.207 55.300 -0.030 0.000 0.971 207 M CB 2.693 35.284 32.600 -0.015 0.000 1.657 207 M HN 0.147 nan 8.290 nan 0.000 0.470 208 V N 1.122 120.992 119.914 -0.073 0.000 2.370 208 V HA 0.111 4.231 4.120 0.001 0.000 0.279 208 V C -0.312 175.734 176.094 -0.080 0.000 1.029 208 V CA -0.704 61.536 62.300 -0.099 0.000 0.870 208 V CB 1.099 32.866 31.823 -0.094 0.000 0.984 208 V HN 0.761 nan 8.190 nan 0.000 0.451 209 D N 5.082 125.417 120.400 -0.108 0.000 2.531 209 D HA 0.049 4.690 4.640 0.001 0.000 0.239 209 D C 0.964 177.234 176.300 -0.050 0.000 1.144 209 D CA 0.955 54.907 54.000 -0.080 0.000 0.869 209 D CB 0.572 41.309 40.800 -0.104 0.000 1.160 209 D HN 0.611 nan 8.370 nan 0.000 0.484 210 Q N 1.691 121.475 119.800 -0.027 0.000 2.559 210 Q HA -0.198 4.142 4.340 0.001 0.000 0.151 210 Q C 1.039 177.038 176.000 -0.001 0.000 0.725 210 Q CA 1.939 57.733 55.803 -0.016 0.000 1.230 210 Q CB -1.972 26.750 28.738 -0.026 0.000 1.099 210 Q HN 0.600 nan 8.270 nan 0.000 1.047 211 T N -0.036 114.516 114.554 -0.004 0.000 3.043 211 T HA 0.215 4.566 4.350 0.001 0.000 0.272 211 T C -0.042 174.668 174.700 0.016 0.000 0.990 211 T CA 0.827 62.929 62.100 0.004 0.000 0.897 211 T CB 0.308 69.169 68.868 -0.012 0.000 1.111 211 T HN 0.422 nan 8.240 nan 0.000 0.529 212 S N 0.729 116.441 115.700 0.020 0.000 2.541 212 S HA 0.846 5.317 4.470 0.001 0.000 0.280 212 S C -1.459 173.179 174.600 0.063 0.000 1.112 212 S CA -0.821 57.398 58.200 0.030 0.000 0.925 212 S CB 2.666 65.871 63.200 0.008 0.000 1.067 212 S HN 0.113 nan 8.310 nan 0.000 0.479 213 Q N 1.049 120.896 119.800 0.078 0.000 2.416 213 Q HA 0.733 5.074 4.340 0.001 0.000 0.281 213 Q C -1.218 174.801 176.000 0.032 0.000 1.067 213 Q CA -0.451 55.442 55.803 0.149 0.000 0.809 213 Q CB 2.548 31.474 28.738 0.314 0.000 1.418 213 Q HN 0.892 nan 8.270 nan 0.000 0.411 214 M N 1.850 121.517 119.600 0.113 0.000 2.386 214 M HA 0.838 5.319 4.480 0.001 0.000 0.293 214 M C -1.341 175.013 176.300 0.091 0.000 1.120 214 M CA -0.862 54.357 55.300 -0.134 0.000 0.909 214 M CB 1.637 34.107 32.600 -0.217 0.000 1.661 214 M HN 0.596 nan 8.290 nan 0.000 0.452 215 F N -0.448 119.506 119.950 0.007 0.000 2.665 215 F HA 0.577 5.105 4.527 0.001 0.000 0.308 215 F C -0.346 175.415 175.800 -0.064 0.000 1.112 215 F CA -1.249 56.753 58.000 0.004 0.000 0.972 215 F CB 0.458 39.473 39.000 0.025 0.000 1.295 215 F HN 0.396 nan 8.300 nan 0.000 0.440 216 I N 0.495 121.114 120.570 0.082 0.000 2.193 216 I HA -0.017 4.154 4.170 0.001 0.000 0.240 216 I C 0.845 177.051 176.117 0.148 0.000 1.084 216 I CA 1.300 62.596 61.300 -0.008 0.000 1.365 216 I CB -0.870 37.097 38.000 -0.055 0.000 1.064 216 I HN 0.648 nan 8.210 nan 0.000 0.410 217 T N 1.474 116.155 114.554 0.212 0.000 2.807 217 T HA 0.576 4.927 4.350 0.001 0.000 0.279 217 T C 0.336 175.150 174.700 0.190 0.000 0.993 217 T CA -0.531 61.684 62.100 0.191 0.000 0.970 217 T CB 1.954 70.877 68.868 0.092 0.000 0.950 217 T HN 0.339 nan 8.240 nan 0.000 0.441 218 G N 2.714 111.607 108.800 0.155 0.000 2.634 218 G HA2 0.344 4.304 3.960 0.001 0.000 0.255 218 G HA3 0.344 4.304 3.960 0.001 0.000 0.255 218 G C -1.567 173.208 174.900 -0.209 0.000 1.205 218 G CA -1.352 43.667 45.100 -0.135 0.000 0.884 218 G HN 0.405 nan 8.290 nan 0.000 0.549 219 P HA -0.071 nan 4.420 nan 0.000 0.218 219 P C 1.058 178.298 177.300 -0.101 0.000 1.148 219 P CA 1.029 64.010 63.100 -0.199 0.000 0.822 219 P CB 0.283 31.857 31.700 -0.210 0.000 0.784 220 D N -0.873 119.485 120.400 -0.071 0.000 2.084 220 D HA -0.106 4.534 4.640 0.001 0.000 0.194 220 D C 2.081 178.367 176.300 -0.023 0.000 0.990 220 D CA 1.050 55.029 54.000 -0.035 0.000 0.826 220 D CB -0.936 39.855 40.800 -0.014 0.000 0.971 220 D HN -0.065 nan 8.370 nan 0.000 0.453 221 V N 1.190 121.097 119.914 -0.013 0.000 2.343 221 V HA -0.209 3.912 4.120 0.001 0.000 0.247 221 V C 2.523 178.611 176.094 -0.009 0.000 1.051 221 V CA 1.064 63.363 62.300 -0.001 0.000 1.036 221 V CB -0.335 31.499 31.823 0.018 0.000 0.654 221 V HN 0.200 nan 8.190 nan 0.000 0.451 222 I N -0.343 120.212 120.570 -0.025 0.000 2.226 222 I HA -0.278 3.892 4.170 0.001 0.000 0.245 222 I C 2.586 178.687 176.117 -0.026 0.000 1.100 222 I CA 1.779 63.063 61.300 -0.028 0.000 1.374 222 I CB -0.341 37.629 38.000 -0.050 0.000 1.057 222 I HN 0.287 nan 8.210 nan 0.000 0.413 223 K N 0.577 120.957 120.400 -0.032 0.000 2.001 223 K HA -0.206 4.115 4.320 0.001 0.000 0.208 223 K C 2.241 178.831 176.600 -0.016 0.000 1.048 223 K CA 2.164 58.436 56.287 -0.026 0.000 0.932 223 K CB -0.198 32.284 32.500 -0.029 0.000 0.715 223 K HN 0.419 nan 8.250 nan 0.000 0.437 224 T N -1.292 113.254 114.554 -0.013 0.000 2.720 224 T HA -0.114 4.237 4.350 0.001 0.000 0.268 224 T C 1.970 176.667 174.700 -0.005 0.000 1.037 224 T CA 1.622 63.717 62.100 -0.008 0.000 1.144 224 T CB -0.564 68.301 68.868 -0.005 0.000 0.864 224 T HN 0.020 nan 8.240 nan 0.000 0.444 225 V N 2.328 122.239 119.914 -0.004 0.000 2.323 225 V HA -0.030 4.091 4.120 0.001 0.000 0.244 225 V C 3.069 179.162 176.094 -0.002 0.000 1.041 225 V CA 2.062 64.362 62.300 -0.001 0.000 1.025 225 V CB -0.812 31.013 31.823 0.003 0.000 0.656 225 V HN 0.871 nan 8.190 nan 0.000 0.451 226 T N -3.908 110.643 114.554 -0.006 0.000 2.985 226 T HA 0.358 4.709 4.350 0.001 0.000 0.254 226 T C 1.558 176.252 174.700 -0.009 0.000 1.021 226 T CA 0.994 63.090 62.100 -0.006 0.000 0.957 226 T CB 0.938 69.802 68.868 -0.007 0.000 1.047 226 T HN 0.937 nan 8.240 nan 0.000 0.511 227 G N 1.563 110.356 108.800 -0.011 0.000 2.184 227 G HA2 -0.258 3.703 3.960 0.001 0.000 0.264 227 G HA3 -0.258 3.703 3.960 0.001 0.000 0.264 227 G C -0.215 174.675 174.900 -0.016 0.000 0.975 227 G CA 0.249 45.341 45.100 -0.013 0.000 0.642 227 G HN 0.686 nan 8.290 nan 0.000 0.536 228 E N 1.209 121.397 120.200 -0.019 0.000 2.360 228 E HA 0.409 4.760 4.350 0.001 0.000 0.269 228 E C 0.128 176.709 176.600 -0.032 0.000 1.022 228 E CA 0.055 56.440 56.400 -0.024 0.000 0.887 228 E CB 0.591 30.276 29.700 -0.026 0.000 0.990 228 E HN 0.551 nan 8.360 nan 0.000 0.426 229 E N 2.094 122.275 120.200 -0.032 0.000 2.133 229 E HA 0.436 4.787 4.350 0.001 0.000 0.274 229 E C -1.070 175.502 176.600 -0.046 0.000 0.930 229 E CA -0.595 55.782 56.400 -0.038 0.000 0.770 229 E CB 2.267 31.950 29.700 -0.029 0.000 1.104 229 E HN 0.104 nan 8.360 nan 0.000 0.403 230 V N 2.442 122.318 119.914 -0.063 0.000 2.969 230 V HA 0.242 4.362 4.120 0.001 0.000 0.304 230 V C -0.576 175.462 176.094 -0.094 0.000 1.192 230 V CA -0.436 61.818 62.300 -0.076 0.000 0.962 230 V CB 2.583 34.352 31.823 -0.090 0.000 1.045 230 V HN 0.722 nan 8.190 nan 0.000 0.428 231 T N 5.833 120.336 114.554 -0.084 0.000 2.899 231 T HA 0.262 4.613 4.350 0.001 0.000 0.295 231 T C 1.362 175.982 174.700 -0.134 0.000 1.033 231 T CA 0.030 62.078 62.100 -0.087 0.000 1.084 231 T CB 1.048 69.883 68.868 -0.054 0.000 0.979 231 T HN 0.699 nan 8.240 nan 0.000 0.532 232 M N 1.249 120.765 119.600 -0.140 0.000 2.106 232 M HA -0.175 4.305 4.480 0.001 0.000 0.259 232 M C 2.294 178.569 176.300 -0.042 0.000 1.068 232 M CA 1.773 56.975 55.300 -0.163 0.000 1.100 232 M CB -0.301 32.285 32.600 -0.023 0.000 1.351 232 M HN 0.641 nan 8.290 nan 0.000 0.404 233 E N 0.727 120.919 120.200 -0.012 0.000 2.077 233 E HA -0.194 4.157 4.350 0.001 0.000 0.193 233 E C 1.600 178.187 176.600 -0.023 0.000 0.989 233 E CA 1.736 58.138 56.400 0.004 0.000 0.800 233 E CB -0.048 29.653 29.700 0.003 0.000 0.746 233 E HN 0.505 nan 8.360 nan 0.000 0.452 234 E N -0.496 119.677 120.200 -0.045 0.000 2.072 234 E HA -0.139 4.211 4.350 0.001 0.000 0.191 234 E C 2.006 178.554 176.600 -0.085 0.000 0.985 234 E CA 0.943 57.312 56.400 -0.051 0.000 0.801 234 E CB -0.171 29.498 29.700 -0.050 0.000 0.750 234 E HN 0.213 nan 8.360 nan 0.000 0.452 235 L N -0.541 120.615 121.223 -0.111 0.000 2.017 235 L HA -0.038 4.303 4.340 0.001 0.000 0.208 235 L C 1.582 178.377 176.870 -0.125 0.000 1.073 235 L CA 2.246 57.006 54.840 -0.134 0.000 0.745 235 L CB -0.107 41.810 42.059 -0.237 0.000 0.894 235 L HN 0.136 nan 8.230 nan 0.000 0.432 236 G N -1.748 107.022 108.800 -0.051 0.000 4.956 236 G HA2 0.329 4.290 3.960 0.001 0.000 0.263 236 G HA3 0.329 4.290 3.960 0.001 0.000 0.263 236 G C 0.516 175.448 174.900 0.054 0.000 0.958 236 G CA 0.081 45.169 45.100 -0.019 0.000 0.749 236 G HN 0.629 nan 8.290 nan 0.000 0.356 237 G N -0.118 108.679 108.800 -0.005 0.000 2.690 237 G HA2 0.441 4.402 3.960 0.001 0.000 0.239 237 G HA3 0.441 4.402 3.960 0.001 0.000 0.239 237 G C 1.391 176.309 174.900 0.031 0.000 1.233 237 G CA 0.414 45.533 45.100 0.033 0.000 0.847 237 G HN 0.648 nan 8.290 nan 0.000 0.588 238 A N -0.099 122.748 122.820 0.045 0.000 1.892 238 A HA -0.197 4.123 4.320 0.001 0.000 0.218 238 A C 2.074 179.671 177.584 0.022 0.000 1.188 238 A CA 2.450 54.504 52.037 0.029 0.000 0.631 238 A CB -0.939 18.047 19.000 -0.025 0.000 0.822 238 A HN 0.915 nan 8.150 nan 0.000 0.447 239 H N -0.333 118.701 119.070 -0.061 0.000 2.353 239 H HA -0.073 4.483 4.556 0.001 0.000 0.300 239 H C 2.178 177.468 175.328 -0.063 0.000 1.090 239 H CA 2.250 58.261 56.048 -0.062 0.000 1.327 239 H CB -0.386 29.340 29.762 -0.061 0.000 1.383 239 H HN 0.405 nan 8.280 nan 0.000 0.508 240 T N 0.041 114.515 114.554 -0.133 0.000 2.684 240 T HA -0.180 4.171 4.350 0.001 0.000 0.267 240 T C 1.629 176.171 174.700 -0.263 0.000 1.036 240 T CA 1.697 63.653 62.100 -0.240 0.000 1.148 240 T CB -0.321 68.370 68.868 -0.296 0.000 0.863 240 T HN 0.539 nan 8.240 nan 0.000 0.436 241 H N -0.192 118.815 119.070 -0.106 0.000 2.462 241 H HA 0.158 4.714 4.556 0.001 0.000 0.292 241 H C 2.148 177.353 175.328 -0.205 0.000 1.049 241 H CA 1.022 56.988 56.048 -0.137 0.000 1.334 241 H CB -0.354 29.348 29.762 -0.101 0.000 1.404 241 H HN 0.249 nan 8.280 nan 0.000 0.544 242 M N 0.693 120.239 119.600 -0.090 0.000 2.062 242 M HA -0.021 4.460 4.480 0.001 0.000 0.259 242 M C 2.345 178.582 176.300 -0.104 0.000 1.076 242 M CA 2.106 57.328 55.300 -0.130 0.000 1.122 242 M CB -0.577 31.960 32.600 -0.106 0.000 1.312 242 M HN 0.117 nan 8.290 nan 0.000 0.412 243 A N -0.918 121.787 122.820 -0.193 0.000 1.975 243 A HA -0.017 4.303 4.320 0.001 0.000 0.215 243 A C 2.112 179.762 177.584 0.110 0.000 1.170 243 A CA 1.301 53.298 52.037 -0.067 0.000 0.656 243 A CB -0.335 18.459 19.000 -0.343 0.000 0.821 243 A HN 0.576 nan 8.150 nan 0.000 0.449 244 K N -0.449 119.949 120.400 -0.004 0.000 2.172 244 K HA 0.004 4.325 4.320 0.001 0.000 0.203 244 K C 2.243 178.904 176.600 0.101 0.000 1.040 244 K CA 1.153 57.475 56.287 0.058 0.000 0.974 244 K CB -0.075 32.410 32.500 -0.025 0.000 0.857 244 K HN 0.506 nan 8.250 nan 0.000 0.464 245 S N -0.085 115.610 115.700 -0.007 0.000 2.501 245 S HA 0.066 4.537 4.470 0.001 0.000 0.220 245 S C 1.351 175.825 174.600 -0.210 0.000 0.997 245 S CA 0.609 58.806 58.200 -0.004 0.000 0.919 245 S CB 0.174 63.464 63.200 0.150 0.000 0.778 245 S HN 0.447 nan 8.310 nan 0.000 0.523 246 G N 0.436 108.851 108.800 -0.640 0.000 2.221 246 G HA2 -0.247 3.714 3.960 0.001 0.000 0.265 246 G HA3 -0.247 3.714 3.960 0.001 0.000 0.265 246 G C 0.472 174.995 174.900 -0.629 0.000 1.041 246 G CA 0.688 45.018 45.100 -1.284 0.000 0.807 246 G HN 0.581 nan 8.290 nan 0.000 0.502 247 T N -0.881 113.429 114.554 -0.405 0.000 2.999 247 T HA 0.541 4.892 4.350 0.001 0.000 0.247 247 T C 1.409 175.926 174.700 -0.305 0.000 1.012 247 T CA 1.022 62.939 62.100 -0.304 0.000 1.048 247 T CB 0.460 69.162 68.868 -0.276 0.000 1.020 247 T HN 1.355 nan 8.240 nan 0.000 0.478 248 A N 0.993 123.668 122.820 -0.241 0.000 2.328 248 A HA 0.507 4.828 4.320 0.001 0.000 0.284 248 A C 0.231 177.697 177.584 -0.196 0.000 1.160 248 A CA -0.300 51.658 52.037 -0.132 0.000 0.818 248 A CB 0.236 19.208 19.000 -0.046 0.000 1.087 248 A HN 0.459 nan 8.150 nan 0.000 0.504 249 H N 0.150 119.270 119.070 0.083 0.000 2.497 249 H HA 0.174 4.730 4.556 0.001 0.000 0.282 249 H C -0.691 174.714 175.328 0.130 0.000 1.003 249 H CA 1.578 57.726 56.048 0.166 0.000 1.307 249 H CB 0.216 30.197 29.762 0.365 0.000 1.437 249 H HN 0.657 nan 8.280 nan 0.000 0.544 250 Y N 0.097 120.361 120.300 -0.061 0.000 2.479 250 Y HA 0.562 5.113 4.550 0.001 0.000 0.338 250 Y C -1.544 174.232 175.900 -0.207 0.000 1.055 250 Y CA -1.995 55.918 58.100 -0.312 0.000 1.023 250 Y CB 1.316 39.219 38.460 -0.928 0.000 1.287 250 Y HN -0.046 nan 8.280 nan 0.000 0.447 251 A N 4.836 127.231 122.820 -0.708 0.000 2.412 251 A HA 0.796 5.117 4.320 0.001 0.000 0.334 251 A C -0.329 176.707 177.584 -0.912 0.000 1.419 251 A CA -0.015 51.680 52.037 -0.570 0.000 0.930 251 A CB -0.587 18.240 19.000 -0.288 0.000 1.149 251 A HN 1.045 nan 8.150 nan 0.000 0.515 252 A N 1.835 124.219 122.820 -0.726 0.000 2.351 252 A HA 0.519 4.840 4.320 0.001 0.000 0.257 252 A C 1.285 178.715 177.584 -0.257 0.000 1.087 252 A CA 0.254 51.993 52.037 -0.497 0.000 0.798 252 A CB 0.215 19.158 19.000 -0.096 0.000 1.033 252 A HN 1.700 nan 8.150 nan 0.000 0.488 253 S N 0.236 115.854 115.700 -0.137 0.000 2.605 253 S HA 0.498 4.969 4.470 0.001 0.000 0.217 253 S C 0.643 175.204 174.600 -0.065 0.000 0.958 253 S CA 0.323 58.470 58.200 -0.088 0.000 0.919 253 S CB -0.636 62.537 63.200 -0.045 0.000 0.780 253 S HN 2.175 nan 8.310 nan 0.000 0.507 254 G N 0.316 109.068 108.800 -0.080 0.000 2.321 254 G HA2 0.261 4.222 3.960 0.001 0.000 0.298 254 G HA3 0.261 4.222 3.960 0.001 0.000 0.298 254 G C -0.250 174.554 174.900 -0.160 0.000 1.385 254 G CA -0.581 44.466 45.100 -0.089 0.000 0.856 254 G HN 0.025 nan 8.290 nan 0.000 0.584 255 E N -0.578 119.495 120.200 -0.210 0.000 2.058 255 E HA -0.246 4.105 4.350 0.001 0.000 0.194 255 E C 2.254 178.426 176.600 -0.714 0.000 0.997 255 E CA 1.689 57.803 56.400 -0.477 0.000 0.801 255 E CB 0.056 29.557 29.700 -0.331 0.000 0.746 255 E HN 0.387 nan 8.360 nan 0.000 0.450 256 Q N 1.335 120.980 119.800 -0.259 0.000 2.124 256 Q HA -0.192 4.149 4.340 0.001 0.000 0.202 256 Q C 1.582 177.576 176.000 -0.009 0.000 0.977 256 Q CA 1.970 57.763 55.803 -0.018 0.000 0.850 256 Q CB -0.323 28.468 28.738 0.088 0.000 0.901 256 Q HN 0.211 nan 8.270 nan 0.000 0.429 257 D N -0.915 119.470 120.400 -0.025 0.000 2.117 257 D HA -0.102 4.539 4.640 0.001 0.000 0.198 257 D C 1.652 178.026 176.300 0.123 0.000 0.982 257 D CA 1.530 55.575 54.000 0.074 0.000 0.828 257 D CB -0.278 40.578 40.800 0.095 0.000 0.967 257 D HN 0.315 nan 8.370 nan 0.000 0.464 258 A N -0.230 122.587 122.820 -0.005 0.000 1.892 258 A HA -0.160 4.160 4.320 0.001 0.000 0.218 258 A C 2.260 179.870 177.584 0.044 0.000 1.188 258 A CA 1.523 53.559 52.037 -0.003 0.000 0.631 258 A CB -1.376 17.503 19.000 -0.201 0.000 0.822 258 A HN 0.437 nan 8.150 nan 0.000 0.447 259 F N 0.264 120.267 119.950 0.089 0.000 2.095 259 F HA -0.241 4.286 4.527 0.001 0.000 0.298 259 F C 2.266 178.094 175.800 0.046 0.000 1.104 259 F CA 0.916 58.946 58.000 0.051 0.000 1.232 259 F CB -0.398 38.617 39.000 0.025 0.000 0.987 259 F HN 0.188 nan 8.300 nan 0.000 0.475 260 D N -0.505 120.030 120.400 0.225 0.000 2.123 260 D HA -0.228 4.413 4.640 0.001 0.000 0.196 260 D C 1.842 178.185 176.300 0.071 0.000 0.992 260 D CA 1.328 55.404 54.000 0.128 0.000 0.833 260 D CB -0.671 40.194 40.800 0.108 0.000 0.954 260 D HN 0.331 nan 8.370 nan 0.000 0.455 261 Y N 1.290 121.547 120.300 -0.072 0.000 2.200 261 Y HA -0.195 4.356 4.550 0.001 0.000 0.290 261 Y C 2.314 178.127 175.900 -0.145 0.000 1.137 261 Y CA 1.366 59.330 58.100 -0.226 0.000 1.163 261 Y CB -0.237 37.902 38.460 -0.536 0.000 0.988 261 Y HN -0.110 nan 8.280 nan 0.000 0.518 262 V N 0.790 120.777 119.914 0.122 0.000 2.343 262 V HA -0.283 3.838 4.120 0.001 0.000 0.247 262 V C 2.193 178.255 176.094 -0.053 0.000 1.051 262 V CA 2.236 64.558 62.300 0.037 0.000 1.036 262 V CB -0.514 31.376 31.823 0.112 0.000 0.654 262 V HN 0.436 nan 8.190 nan 0.000 0.451 263 R N -0.261 120.227 120.500 -0.020 0.000 2.091 263 R HA -0.189 4.151 4.340 0.001 0.000 0.238 263 R C 2.394 178.628 176.300 -0.110 0.000 1.136 263 R CA 1.930 58.000 56.100 -0.051 0.000 0.959 263 R CB -0.433 29.856 30.300 -0.017 0.000 0.856 263 R HN 0.592 nan 8.270 nan 0.000 0.437 264 E N 1.043 121.156 120.200 -0.145 0.000 2.047 264 E HA -0.158 4.193 4.350 0.001 0.000 0.191 264 E C 1.769 178.270 176.600 -0.164 0.000 0.987 264 E CA 0.771 57.069 56.400 -0.169 0.000 0.799 264 E CB -0.213 29.369 29.700 -0.196 0.000 0.752 264 E HN 0.099 nan 8.360 nan 0.000 0.449 265 L N 0.254 121.299 121.223 -0.298 0.000 2.012 265 L HA -0.127 4.214 4.340 0.001 0.000 0.210 265 L C 2.086 178.794 176.870 -0.269 0.000 1.073 265 L CA 1.736 56.372 54.840 -0.340 0.000 0.748 265 L CB -0.624 41.138 42.059 -0.495 0.000 0.891 265 L HN 0.253 nan 8.230 nan 0.000 0.431 266 L N -0.495 120.598 121.223 -0.217 0.000 2.131 266 L HA -0.169 4.172 4.340 0.001 0.000 0.210 266 L C 2.644 179.398 176.870 -0.193 0.000 1.092 266 L CA 1.255 55.982 54.840 -0.189 0.000 0.759 266 L CB -0.774 41.207 42.059 -0.129 0.000 0.903 266 L HN 0.544 nan 8.230 nan 0.000 0.435 267 S N -0.999 114.572 115.700 -0.216 0.000 2.442 267 S HA -0.208 4.262 4.470 0.001 0.000 0.236 267 S C 1.754 176.100 174.600 -0.424 0.000 1.007 267 S CA 0.960 58.991 58.200 -0.283 0.000 0.965 267 S CB -0.536 62.480 63.200 -0.306 0.000 0.773 267 S HN 0.448 nan 8.310 nan 0.000 0.504 268 Y N 1.237 121.341 120.300 -0.326 0.000 2.448 268 Y HA 0.452 5.003 4.550 0.001 0.000 0.289 268 Y C 1.060 176.742 175.900 -0.364 0.000 1.114 268 Y CA -0.184 57.681 58.100 -0.393 0.000 1.235 268 Y CB 0.020 38.099 38.460 -0.635 0.000 1.045 268 Y HN 0.198 nan 8.280 nan 0.000 0.554 269 L N 2.717 123.807 121.223 -0.220 0.000 2.357 269 L HA 0.317 4.658 4.340 0.001 0.000 0.273 269 L C -2.096 174.695 176.870 -0.132 0.000 1.080 269 L CA -2.226 52.491 54.840 -0.205 0.000 0.803 269 L CB 0.970 42.850 42.059 -0.299 0.000 1.174 269 L HN -0.150 nan 8.230 nan 0.000 0.443 270 P HA 0.189 nan 4.420 nan 0.000 0.277 270 P C -2.348 174.919 177.300 -0.055 0.000 1.271 270 P CA -1.446 61.638 63.100 -0.027 0.000 0.795 270 P CB 0.134 31.863 31.700 0.048 0.000 1.101 271 P HA -0.065 nan 4.420 nan 0.000 0.223 271 P C -0.116 177.188 177.300 0.007 0.000 1.151 271 P CA 1.446 64.531 63.100 -0.026 0.000 0.787 271 P CB -0.093 31.603 31.700 -0.006 0.000 0.788 272 N N -2.163 116.585 118.700 0.080 0.000 3.116 272 N HA 0.043 4.784 4.740 0.001 0.000 0.244 272 N C 0.176 175.838 175.510 0.253 0.000 1.485 272 N CA -0.819 52.337 53.050 0.177 0.000 0.884 272 N CB -0.703 37.849 38.487 0.108 0.000 1.415 272 N HN -0.335 nan 8.380 nan 0.000 0.524 273 N N -0.952 117.896 118.700 0.247 0.000 2.609 273 N HA -0.028 4.713 4.740 0.001 0.000 0.190 273 N C -0.204 175.339 175.510 0.055 0.000 1.157 273 N CA 0.693 53.810 53.050 0.112 0.000 0.918 273 N CB -0.248 38.206 38.487 -0.055 0.000 0.978 273 N HN 0.453 nan 8.380 nan 0.000 0.448 274 S N -1.133 114.603 115.700 0.061 0.000 2.556 274 S HA 0.150 4.621 4.470 0.001 0.000 0.216 274 S C -0.039 174.582 174.600 0.036 0.000 0.970 274 S CA -0.212 58.009 58.200 0.036 0.000 0.912 274 S CB 0.250 63.468 63.200 0.030 0.000 0.790 274 S HN 0.391 nan 8.310 nan 0.000 0.504 275 T N 2.237 116.821 114.554 0.051 0.000 2.876 275 T HA 0.311 4.662 4.350 0.001 0.000 0.289 275 T C -0.999 173.727 174.700 0.043 0.000 1.014 275 T CA -0.853 61.271 62.100 0.040 0.000 0.986 275 T CB 1.422 70.312 68.868 0.037 0.000 1.021 275 T HN -0.057 nan 8.240 nan 0.000 0.458 276 D N 2.121 122.539 120.400 0.029 0.000 2.443 276 D HA 0.353 4.994 4.640 0.001 0.000 0.239 276 D C 0.476 176.789 176.300 0.022 0.000 1.136 276 D CA -0.006 54.010 54.000 0.026 0.000 0.879 276 D CB 0.648 41.459 40.800 0.018 0.000 1.195 276 D HN 0.725 nan 8.370 nan 0.000 0.443 277 A N 3.943 126.777 122.820 0.023 0.000 2.565 277 A HA 0.227 4.548 4.320 0.001 0.000 0.237 277 A C -1.954 175.614 177.584 -0.028 0.000 1.053 277 A CA -0.749 51.286 52.037 -0.003 0.000 0.755 277 A CB -0.337 18.667 19.000 0.007 0.000 0.980 277 A HN 0.358 nan 8.150 nan 0.000 0.506 278 P HA 0.316 nan 4.420 nan 0.000 0.275 278 P C -0.680 176.556 177.300 -0.108 0.000 1.227 278 P CA -0.057 63.010 63.100 -0.055 0.000 0.781 278 P CB 0.792 32.462 31.700 -0.050 0.000 0.906 279 R N 1.953 122.426 120.500 -0.044 0.000 2.664 279 R HA 0.485 4.825 4.340 0.001 0.000 0.286 279 R C 0.029 176.397 176.300 0.113 0.000 0.967 279 R CA -0.705 55.367 56.100 -0.047 0.000 0.933 279 R CB 1.456 31.762 30.300 0.011 0.000 1.146 279 R HN 0.510 nan 8.270 nan 0.000 0.468 280 Y N 0.423 120.715 120.300 -0.015 0.000 2.408 280 Y HA 0.099 4.650 4.550 0.001 0.000 0.324 280 Y C 0.709 176.608 175.900 -0.002 0.000 1.302 280 Y CA -1.199 56.891 58.100 -0.016 0.000 1.384 280 Y CB 0.921 39.368 38.460 -0.021 0.000 1.367 280 Y HN 0.321 nan 8.280 nan 0.000 0.525 281 Q N 1.641 121.540 119.800 0.165 0.000 2.339 281 Q HA 0.085 4.426 4.340 0.001 0.000 0.308 281 Q C -0.640 175.412 176.000 0.087 0.000 1.097 281 Q CA -0.118 55.736 55.803 0.086 0.000 1.007 281 Q CB 0.249 29.011 28.738 0.040 0.000 1.051 281 Q HN 0.571 nan 8.270 nan 0.000 0.381 282 A N 3.631 126.490 122.820 0.066 0.000 2.445 282 A HA 0.583 4.904 4.320 0.001 0.000 0.242 282 A C 0.036 177.644 177.584 0.041 0.000 1.075 282 A CA 0.127 52.196 52.037 0.054 0.000 0.777 282 A CB 0.194 19.220 19.000 0.042 0.000 1.013 282 A HN 0.939 nan 8.150 nan 0.000 0.493 283 A N 0.823 123.665 122.820 0.038 0.000 2.296 283 A HA 0.634 4.955 4.320 0.001 0.000 0.264 283 A C 0.724 178.319 177.584 0.018 0.000 1.097 283 A CA 0.214 52.267 52.037 0.027 0.000 0.811 283 A CB -0.023 18.993 19.000 0.027 0.000 1.072 283 A HN 2.127 nan 8.150 nan 0.000 0.495 284 A N 0.664 123.491 122.820 0.012 0.000 2.282 284 A HA 0.767 5.088 4.320 0.001 0.000 0.319 284 A C -2.236 175.348 177.584 0.001 0.000 1.121 284 A CA -1.303 50.738 52.037 0.006 0.000 0.836 284 A CB -0.322 18.680 19.000 0.004 0.000 1.146 284 A HN 0.735 nan 8.150 nan 0.000 0.494 285 P HA 0.520 nan 4.420 nan 0.000 0.285 285 P C -0.609 176.684 177.300 -0.013 0.000 1.269 285 P CA -0.331 62.762 63.100 -0.012 0.000 0.844 285 P CB 1.035 32.722 31.700 -0.021 0.000 1.094 286 T N 0.224 114.768 114.554 -0.016 0.000 3.243 286 T HA 0.538 4.888 4.350 0.001 0.000 0.245 286 T C 0.501 175.189 174.700 -0.020 0.000 1.263 286 T CA 0.284 62.375 62.100 -0.015 0.000 1.228 286 T CB -0.635 68.226 68.868 -0.012 0.000 1.097 286 T HN 0.898 nan 8.240 nan 0.000 0.628 287 G N 3.088 111.874 108.800 -0.022 0.000 2.484 287 G HA2 -0.132 3.829 3.960 0.001 0.000 0.225 287 G HA3 -0.132 3.829 3.960 0.001 0.000 0.225 287 G C -2.653 172.223 174.900 -0.040 0.000 1.250 287 G CA -0.897 44.188 45.100 -0.026 0.000 0.926 287 G HN 0.450 nan 8.290 nan 0.000 0.581 288 P HA 0.493 nan 4.420 nan 0.000 0.276 288 P C 1.275 178.516 177.300 -0.098 0.000 1.261 288 P CA -0.516 62.544 63.100 -0.067 0.000 0.800 288 P CB 0.633 32.303 31.700 -0.050 0.000 1.066 289 I N 0.081 120.563 120.570 -0.146 0.000 2.151 289 I HA -0.274 3.897 4.170 0.001 0.000 0.243 289 I C 2.467 178.407 176.117 -0.294 0.000 1.080 289 I CA 1.791 62.964 61.300 -0.212 0.000 1.339 289 I CB -0.565 37.277 38.000 -0.262 0.000 1.039 289 I HN 0.567 nan 8.210 nan 0.000 0.409 290 E N 1.563 121.583 120.200 -0.300 0.000 2.273 290 E HA -0.270 4.081 4.350 0.001 0.000 0.198 290 E C 1.385 177.921 176.600 -0.106 0.000 1.002 290 E CA 1.530 57.789 56.400 -0.235 0.000 0.828 290 E CB -0.063 29.619 29.700 -0.029 0.000 0.747 290 E HN 0.617 nan 8.360 nan 0.000 0.491 291 E N -0.449 119.699 120.200 -0.086 0.000 2.481 291 E HA 0.094 4.445 4.350 0.001 0.000 0.198 291 E C -0.177 176.396 176.600 -0.044 0.000 1.027 291 E CA -0.106 56.266 56.400 -0.047 0.000 0.900 291 E CB 0.348 30.028 29.700 -0.032 0.000 0.993 291 E HN 0.227 nan 8.360 nan 0.000 0.482 292 N N 0.521 119.183 118.700 -0.063 0.000 2.497 292 N HA 0.183 4.924 4.740 0.001 0.000 0.284 292 N C -1.096 174.391 175.510 -0.038 0.000 1.459 292 N CA -0.083 52.941 53.050 -0.043 0.000 0.899 292 N CB 0.769 39.230 38.487 -0.043 0.000 1.316 292 N HN -0.088 nan 8.380 nan 0.000 0.500 293 L N 1.195 122.397 121.223 -0.035 0.000 2.265 293 L HA 0.357 4.698 4.340 0.001 0.000 0.288 293 L C 1.045 177.914 176.870 -0.001 0.000 1.058 293 L CA -0.561 54.269 54.840 -0.017 0.000 0.809 293 L CB 0.608 42.663 42.059 -0.006 0.000 1.179 293 L HN 0.234 nan 8.230 nan 0.000 0.429 294 T N -2.293 112.265 114.554 0.007 0.000 2.788 294 T HA 0.123 4.473 4.350 0.001 0.000 0.280 294 T C 0.782 175.489 174.700 0.011 0.000 0.984 294 T CA -0.757 61.349 62.100 0.011 0.000 0.972 294 T CB 1.219 70.098 68.868 0.018 0.000 1.039 294 T HN 0.465 nan 8.240 nan 0.000 0.530 295 D N -0.168 120.238 120.400 0.011 0.000 2.144 295 D HA -0.086 4.554 4.640 0.001 0.000 0.199 295 D C 1.889 178.195 176.300 0.009 0.000 0.984 295 D CA 1.142 55.146 54.000 0.008 0.000 0.834 295 D CB -0.183 40.623 40.800 0.009 0.000 0.955 295 D HN 0.778 nan 8.370 nan 0.000 0.465 296 E N 0.374 120.585 120.200 0.017 0.000 2.058 296 E HA -0.176 4.174 4.350 0.001 0.000 0.194 296 E C 1.361 177.973 176.600 0.020 0.000 0.997 296 E CA 1.007 57.421 56.400 0.023 0.000 0.801 296 E CB 0.193 29.913 29.700 0.033 0.000 0.746 296 E HN 0.192 nan 8.360 nan 0.000 0.450 297 D N 0.497 120.910 120.400 0.021 0.000 2.104 297 D HA -0.181 4.460 4.640 0.001 0.000 0.194 297 D C 2.131 178.424 176.300 -0.012 0.000 0.994 297 D CA 0.901 54.912 54.000 0.018 0.000 0.830 297 D CB -0.351 40.466 40.800 0.029 0.000 0.959 297 D HN 0.238 nan 8.370 nan 0.000 0.452 298 L N 0.866 122.083 121.223 -0.011 0.000 2.131 298 L HA -0.146 4.195 4.340 0.001 0.000 0.210 298 L C 2.255 179.095 176.870 -0.052 0.000 1.092 298 L CA 1.003 55.825 54.840 -0.030 0.000 0.759 298 L CB -0.477 41.573 42.059 -0.015 0.000 0.903 298 L HN 0.012 nan 8.230 nan 0.000 0.435 299 E N 0.000 120.181 120.200 -0.033 0.000 2.171 299 E HA -0.254 4.097 4.350 0.001 0.000 0.197 299 E C 2.076 178.636 176.600 -0.066 0.000 0.997 299 E CA 0.906 57.286 56.400 -0.034 0.000 0.810 299 E CB -0.131 29.565 29.700 -0.006 0.000 0.738 299 E HN 0.270 nan 8.360 nan 0.000 0.467 300 L N 1.356 122.522 121.223 -0.095 0.000 2.201 300 L HA -0.156 4.185 4.340 0.001 0.000 0.212 300 L C 1.608 178.271 176.870 -0.344 0.000 1.105 300 L CA 1.595 56.321 54.840 -0.189 0.000 0.775 300 L CB -0.656 41.282 42.059 -0.202 0.000 0.913 300 L HN 0.044 nan 8.230 nan 0.000 0.440 301 D N -0.964 119.269 120.400 -0.278 0.000 2.178 301 D HA -0.120 4.520 4.640 0.001 0.000 0.201 301 D C 1.796 177.976 176.300 -0.200 0.000 0.980 301 D CA 1.729 55.562 54.000 -0.277 0.000 0.842 301 D CB 0.064 40.752 40.800 -0.187 0.000 0.948 301 D HN 0.432 nan 8.370 nan 0.000 0.472 302 T N -2.038 112.432 114.554 -0.140 0.000 3.092 302 T HA 0.138 4.489 4.350 0.001 0.000 0.258 302 T C 1.561 176.210 174.700 -0.085 0.000 1.031 302 T CA -0.326 61.717 62.100 -0.095 0.000 0.925 302 T CB 0.056 68.888 68.868 -0.060 0.000 1.036 302 T HN -0.051 nan 8.240 nan 0.000 0.544 303 L N 1.058 122.214 121.223 -0.111 0.000 2.109 303 L HA 0.364 4.705 4.340 0.001 0.000 0.207 303 L C 0.516 177.283 176.870 -0.173 0.000 1.086 303 L CA 1.031 55.810 54.840 -0.100 0.000 0.760 303 L CB -0.297 41.719 42.059 -0.071 0.000 0.910 303 L HN 0.245 nan 8.230 nan 0.000 0.437 304 I N 1.974 122.430 120.570 -0.189 0.000 2.452 304 I HA 0.184 4.355 4.170 0.001 0.000 0.287 304 I C -1.824 174.239 176.117 -0.090 0.000 1.079 304 I CA -1.908 59.251 61.300 -0.236 0.000 1.387 304 I CB -0.244 37.683 38.000 -0.121 0.000 1.404 304 I HN 0.091 nan 8.210 nan 0.000 0.522 305 P HA 0.065 nan 4.420 nan 0.000 0.268 305 P C 0.474 177.786 177.300 0.020 0.000 1.208 305 P CA -0.145 62.967 63.100 0.020 0.000 0.777 305 P CB 0.831 32.573 31.700 0.071 0.000 0.875 306 D N -0.479 119.932 120.400 0.018 0.000 2.144 306 D HA -0.100 4.540 4.640 0.001 0.000 0.199 306 D C 0.745 177.065 176.300 0.034 0.000 0.984 306 D CA 1.292 55.304 54.000 0.021 0.000 0.834 306 D CB -0.322 40.488 40.800 0.017 0.000 0.955 306 D HN 0.268 nan 8.370 nan 0.000 0.465 307 S N 1.504 117.228 115.700 0.040 0.000 2.465 307 S HA 0.074 4.545 4.470 0.001 0.000 0.280 307 S C -1.411 173.226 174.600 0.061 0.000 1.232 307 S CA -1.421 56.807 58.200 0.047 0.000 1.066 307 S CB 1.152 64.379 63.200 0.045 0.000 0.929 307 S HN -0.100 nan 8.310 nan 0.000 0.494 308 P HA -0.103 nan 4.420 nan 0.000 0.217 308 P C 0.239 177.586 177.300 0.078 0.000 1.148 308 P CA 1.246 64.390 63.100 0.073 0.000 0.828 308 P CB 0.054 31.801 31.700 0.079 0.000 0.783 309 N N -1.348 117.395 118.700 0.071 0.000 2.187 309 N HA 0.032 4.773 4.740 0.001 0.000 0.212 309 N C 0.590 176.136 175.510 0.062 0.000 1.152 309 N CA 0.008 53.096 53.050 0.063 0.000 0.872 309 N CB 0.124 38.645 38.487 0.056 0.000 1.025 309 N HN 0.331 nan 8.380 nan 0.000 0.514 310 Q N 2.200 122.048 119.800 0.079 0.000 2.297 310 Q HA 0.195 4.536 4.340 0.001 0.000 0.267 310 Q C -2.404 173.663 176.000 0.111 0.000 1.006 310 Q CA -1.428 54.425 55.803 0.082 0.000 0.896 310 Q CB 0.838 29.625 28.738 0.083 0.000 1.186 310 Q HN -0.007 nan 8.270 nan 0.000 0.392 311 P HA 0.026 nan 4.420 nan 0.000 0.269 311 P C -1.593 175.765 177.300 0.097 0.000 1.215 311 P CA 0.278 63.381 63.100 0.005 0.000 0.780 311 P CB 0.209 31.890 31.700 -0.031 0.000 0.898 312 Y N -1.661 118.646 120.300 0.012 0.000 2.534 312 Y HA 0.516 5.067 4.550 0.001 0.000 0.345 312 Y C -0.779 175.131 175.900 0.016 0.000 1.031 312 Y CA -1.562 56.551 58.100 0.022 0.000 1.022 312 Y CB 0.963 39.444 38.460 0.034 0.000 1.292 312 Y HN 0.169 nan 8.280 nan 0.000 0.459 313 D N 3.149 123.582 120.400 0.055 0.000 2.343 313 D HA 0.040 4.681 4.640 0.001 0.000 0.255 313 D C 0.598 176.937 176.300 0.065 0.000 1.187 313 D CA -0.054 53.953 54.000 0.013 0.000 0.875 313 D CB 1.522 42.384 40.800 0.104 0.000 1.136 313 D HN 0.890 nan 8.370 nan 0.000 0.469 314 M N 4.647 124.186 119.600 -0.103 0.000 2.460 314 M HA -0.119 4.362 4.480 0.001 0.000 0.263 314 M C 1.460 177.701 176.300 -0.099 0.000 1.071 314 M CA 1.274 56.525 55.300 -0.082 0.000 1.096 314 M CB -0.296 32.171 32.600 -0.221 0.000 1.408 314 M HN 0.432 nan 8.290 nan 0.000 0.463 315 H N -0.161 118.890 119.070 -0.032 0.000 2.456 315 H HA -0.091 4.465 4.556 0.001 0.000 0.296 315 H C 1.622 176.946 175.328 -0.008 0.000 1.079 315 H CA 1.465 57.484 56.048 -0.048 0.000 1.322 315 H CB -0.024 29.739 29.762 0.002 0.000 1.388 315 H HN 0.445 nan 8.280 nan 0.000 0.538 316 E N 0.557 120.855 120.200 0.164 0.000 2.150 316 E HA -0.081 4.270 4.350 0.001 0.000 0.193 316 E C 2.473 179.148 176.600 0.124 0.000 0.985 316 E CA 0.373 56.859 56.400 0.142 0.000 0.814 316 E CB -0.017 29.784 29.700 0.169 0.000 0.752 316 E HN 0.287 nan 8.360 nan 0.000 0.466 317 V N 1.266 121.255 119.914 0.125 0.000 2.302 317 V HA -0.168 3.953 4.120 0.001 0.000 0.243 317 V C 2.434 178.551 176.094 0.038 0.000 1.036 317 V CA 1.040 63.415 62.300 0.125 0.000 1.020 317 V CB -0.447 31.449 31.823 0.122 0.000 0.657 317 V HN 0.137 nan 8.190 nan 0.000 0.453 318 I N 1.474 122.000 120.570 -0.073 0.000 2.118 318 I HA -0.313 3.858 4.170 0.001 0.000 0.241 318 I C 2.796 178.854 176.117 -0.097 0.000 1.070 318 I CA 2.347 63.530 61.300 -0.195 0.000 1.327 318 I CB -0.872 36.825 38.000 -0.504 0.000 1.034 318 I HN 0.534 nan 8.210 nan 0.000 0.405 319 T N -1.177 113.361 114.554 -0.028 0.000 2.915 319 T HA -0.147 4.203 4.350 0.001 0.000 0.269 319 T C 1.920 176.655 174.700 0.058 0.000 1.071 319 T CA 0.916 63.040 62.100 0.041 0.000 1.132 319 T CB -0.393 68.523 68.868 0.080 0.000 0.878 319 T HN 0.327 nan 8.240 nan 0.000 0.479 320 R N 0.451 120.987 120.500 0.060 0.000 2.193 320 R HA 0.291 4.632 4.340 0.001 0.000 0.213 320 R C 2.308 178.654 176.300 0.077 0.000 1.055 320 R CA 0.608 56.750 56.100 0.070 0.000 0.995 320 R CB -0.375 29.970 30.300 0.075 0.000 0.893 320 R HN 0.409 nan 8.270 nan 0.000 0.459 321 L N 0.465 121.732 121.223 0.073 0.000 2.209 321 L HA 0.050 4.390 4.340 0.001 0.000 0.207 321 L C 0.859 177.779 176.870 0.083 0.000 1.094 321 L CA 0.401 55.291 54.840 0.084 0.000 0.790 321 L CB -0.133 41.972 42.059 0.076 0.000 0.932 321 L HN 0.070 nan 8.230 nan 0.000 0.447 322 L N 0.056 121.326 121.223 0.079 0.000 2.418 322 L HA 0.081 4.422 4.340 0.001 0.000 0.265 322 L C 1.073 178.012 176.870 0.114 0.000 1.143 322 L CA -0.529 54.376 54.840 0.109 0.000 0.809 322 L CB 0.655 42.794 42.059 0.134 0.000 1.124 322 L HN 0.010 nan 8.230 nan 0.000 0.456 323 D N 0.117 120.594 120.400 0.129 0.000 2.097 323 D HA -0.104 4.536 4.640 0.001 0.000 0.195 323 D C 0.531 176.904 176.300 0.122 0.000 0.989 323 D CA 1.479 55.552 54.000 0.121 0.000 0.827 323 D CB 0.321 41.201 40.800 0.134 0.000 0.966 323 D HN 0.558 nan 8.370 nan 0.000 0.456 324 D N -0.857 119.632 120.400 0.148 0.000 3.612 324 D HA 0.078 4.718 4.640 0.001 0.000 0.152 324 D C -0.008 176.394 176.300 0.170 0.000 1.365 324 D CA -0.383 53.702 54.000 0.142 0.000 1.440 324 D CB 0.573 41.455 40.800 0.137 0.000 1.533 324 D HN -0.169 nan 8.370 nan 0.000 0.347 325 E N 0.528 120.843 120.200 0.190 0.000 2.369 325 E HA 0.322 4.672 4.350 0.001 0.000 0.255 325 E C -0.692 176.100 176.600 0.320 0.000 1.172 325 E CA -0.330 56.202 56.400 0.220 0.000 0.932 325 E CB 0.706 30.510 29.700 0.174 0.000 1.040 325 E HN 0.148 nan 8.360 nan 0.000 0.454 326 F N 1.322 121.342 119.950 0.117 0.000 2.426 326 F HA 0.319 4.847 4.527 0.001 0.000 0.348 326 F C -0.969 174.874 175.800 0.072 0.000 1.124 326 F CA -1.559 56.495 58.000 0.090 0.000 1.008 326 F CB 0.717 39.777 39.000 0.099 0.000 1.139 326 F HN 0.214 nan 8.300 nan 0.000 0.452 327 L N 6.506 127.539 121.223 -0.317 0.000 2.282 327 L HA 0.347 4.688 4.340 0.001 0.000 0.287 327 L C -0.153 176.267 176.870 -0.750 0.000 1.075 327 L CA 0.070 54.663 54.840 -0.411 0.000 0.839 327 L CB 0.320 42.195 42.059 -0.308 0.000 1.219 327 L HN 0.719 nan 8.230 nan 0.000 0.434 328 E N 4.459 124.283 120.200 -0.626 0.000 2.301 328 E HA 0.321 4.672 4.350 0.001 0.000 0.275 328 E C -0.900 175.614 176.600 -0.145 0.000 1.030 328 E CA -0.685 55.333 56.400 -0.637 0.000 0.852 328 E CB 0.874 30.409 29.700 -0.274 0.000 1.060 328 E HN 0.465 nan 8.360 nan 0.000 0.401 329 I N 3.932 124.408 120.570 -0.158 0.000 2.377 329 I HA 0.082 4.252 4.170 0.001 0.000 0.293 329 I C 0.198 176.374 176.117 0.098 0.000 0.987 329 I CA -0.018 61.332 61.300 0.084 0.000 1.185 329 I CB 1.241 39.300 38.000 0.099 0.000 1.341 329 I HN 0.884 nan 8.210 nan 0.000 0.455 330 Q N 3.108 123.008 119.800 0.167 0.000 2.451 330 Q HA -0.249 4.092 4.340 0.001 0.000 0.305 330 Q C 1.220 177.287 176.000 0.111 0.000 1.345 330 Q CA 0.640 56.511 55.803 0.113 0.000 0.854 330 Q CB -0.967 27.842 28.738 0.119 0.000 1.162 330 Q HN 0.865 nan 8.270 nan 0.000 0.440 331 A N -0.378 122.502 122.820 0.101 0.000 1.972 331 A HA -0.028 4.293 4.320 0.001 0.000 0.219 331 A C 1.861 179.485 177.584 0.067 0.000 1.169 331 A CA 1.631 53.725 52.037 0.096 0.000 0.635 331 A CB -0.122 18.946 19.000 0.114 0.000 0.810 331 A HN 0.634 nan 8.150 nan 0.000 0.446 332 G N -2.821 106.013 108.800 0.057 0.000 3.371 332 G HA2 0.354 4.315 3.960 0.001 0.000 0.248 332 G HA3 0.354 4.315 3.960 0.001 0.000 0.248 332 G C -0.144 174.796 174.900 0.066 0.000 1.161 332 G CA -0.018 45.103 45.100 0.035 0.000 0.796 332 G HN 0.373 nan 8.290 nan 0.000 0.539 333 Y N 0.231 120.493 120.300 -0.063 0.000 2.446 333 Y HA 0.486 5.037 4.550 0.001 0.000 0.345 333 Y C 0.340 176.217 175.900 -0.038 0.000 0.984 333 Y CA -1.211 56.853 58.100 -0.059 0.000 1.058 333 Y CB 2.057 40.486 38.460 -0.052 0.000 1.220 333 Y HN 0.381 nan 8.280 nan 0.000 0.455 334 A N 4.631 127.095 122.820 -0.593 0.000 2.415 334 A HA -0.279 4.042 4.320 0.001 0.000 0.292 334 A C 0.866 178.350 177.584 -0.167 0.000 1.452 334 A CA 1.414 53.187 52.037 -0.441 0.000 0.750 334 A CB -1.846 16.805 19.000 -0.580 0.000 1.099 334 A HN 0.927 nan 8.150 nan 0.000 0.391 335 Q N 0.118 119.804 119.800 -0.189 0.000 2.488 335 Q HA -0.157 4.184 4.340 0.001 0.000 0.211 335 Q C 1.860 177.818 176.000 -0.070 0.000 0.967 335 Q CA 0.837 56.537 55.803 -0.172 0.000 0.926 335 Q CB -0.161 28.375 28.738 -0.337 0.000 0.992 335 Q HN 1.064 nan 8.270 nan 0.000 0.506 336 N N 0.635 119.373 118.700 0.064 0.000 2.585 336 N HA -0.120 4.621 4.740 0.001 0.000 0.188 336 N C 0.499 175.994 175.510 -0.024 0.000 1.102 336 N CA 0.725 53.799 53.050 0.039 0.000 0.920 336 N CB 0.265 38.827 38.487 0.125 0.000 0.963 336 N HN 0.255 nan 8.380 nan 0.000 0.447 337 I N -0.049 120.498 120.570 -0.039 0.000 2.686 337 I HA 0.327 4.498 4.170 0.001 0.000 0.295 337 I C -1.458 174.614 176.117 -0.074 0.000 1.114 337 I CA -0.956 60.305 61.300 -0.065 0.000 1.038 337 I CB 2.599 40.574 38.000 -0.042 0.000 1.238 337 I HN -0.308 nan 8.210 nan 0.000 0.420 338 V N 7.159 127.008 119.914 -0.109 0.000 2.487 338 V HA 0.599 4.720 4.120 0.001 0.000 0.298 338 V C -0.575 175.455 176.094 -0.107 0.000 1.028 338 V CA -0.571 61.673 62.300 -0.093 0.000 0.860 338 V CB 1.767 33.467 31.823 -0.204 0.000 0.991 338 V HN 0.514 nan 8.190 nan 0.000 0.427 339 V N 2.155 121.974 119.914 -0.159 0.000 2.962 339 V HA 1.158 5.279 4.120 0.001 0.000 0.313 339 V C -0.067 175.668 176.094 -0.598 0.000 1.099 339 V CA 0.225 62.209 62.300 -0.526 0.000 0.971 339 V CB 1.606 32.831 31.823 -0.996 0.000 1.028 339 V HN 1.390 nan 8.190 nan 0.000 0.430 340 G N 1.785 110.083 108.800 -0.836 0.000 2.327 340 G HA2 0.464 4.424 3.960 0.001 0.000 0.291 340 G HA3 0.464 4.424 3.960 0.001 0.000 0.291 340 G C -2.004 172.619 174.900 -0.461 0.000 1.290 340 G CA -0.709 43.894 45.100 -0.828 0.000 0.857 340 G HN 0.849 nan 8.290 nan 0.000 0.520 341 F N 0.473 120.253 119.950 -0.283 0.000 2.450 341 F HA 0.830 5.358 4.527 0.001 0.000 0.332 341 F C 0.956 176.563 175.800 -0.320 0.000 1.093 341 F CA 0.392 58.141 58.000 -0.418 0.000 1.003 341 F CB 2.214 40.520 39.000 -1.157 0.000 1.151 341 F HN 0.871 nan 8.300 nan 0.000 0.474 342 G N 1.743 110.633 108.800 0.150 0.000 2.749 342 G HA2 0.702 4.663 3.960 0.001 0.000 0.300 342 G HA3 0.702 4.663 3.960 0.001 0.000 0.300 342 G C -1.651 173.497 174.900 0.414 0.000 1.352 342 G CA -1.099 44.210 45.100 0.348 0.000 0.789 342 G HN 0.457 nan 8.290 nan 0.000 0.509 343 R N -0.779 119.917 120.500 0.326 0.000 2.686 343 R HA 0.616 4.957 4.340 0.001 0.000 0.286 343 R C -1.178 175.215 176.300 0.154 0.000 0.969 343 R CA -0.700 55.522 56.100 0.203 0.000 0.898 343 R CB 2.484 32.843 30.300 0.099 0.000 1.183 343 R HN 0.349 nan 8.270 nan 0.000 0.456 344 I N 1.900 122.544 120.570 0.123 0.000 2.410 344 I HA 0.111 4.282 4.170 0.001 0.000 0.286 344 I C -0.442 175.728 176.117 0.088 0.000 1.009 344 I CA -0.343 61.021 61.300 0.107 0.000 1.111 344 I CB 1.768 39.832 38.000 0.106 0.000 1.262 344 I HN 0.711 nan 8.210 nan 0.000 0.443 345 D N 5.322 125.772 120.400 0.084 0.000 2.723 345 D HA -0.185 4.456 4.640 0.001 0.000 0.236 345 D C 1.102 177.446 176.300 0.074 0.000 1.138 345 D CA 1.592 55.635 54.000 0.072 0.000 0.676 345 D CB -0.737 40.098 40.800 0.060 0.000 1.069 345 D HN 1.104 nan 8.370 nan 0.000 0.430 346 G N -0.448 108.403 108.800 0.086 0.000 2.212 346 G HA2 -0.392 3.569 3.960 0.001 0.000 0.266 346 G HA3 -0.392 3.569 3.960 0.001 0.000 0.266 346 G C 0.421 175.314 174.900 -0.012 0.000 0.978 346 G CA 0.538 45.685 45.100 0.078 0.000 0.632 346 G HN 0.631 nan 8.290 nan 0.000 0.537 347 R N 1.071 121.585 120.500 0.022 0.000 2.254 347 R HA 0.466 4.807 4.340 0.001 0.000 0.318 347 R C -2.634 173.699 176.300 0.054 0.000 1.031 347 R CA -1.919 54.193 56.100 0.020 0.000 0.905 347 R CB 1.024 31.352 30.300 0.048 0.000 1.050 347 R HN 0.107 nan 8.270 nan 0.000 0.456 348 P HA -0.033 nan 4.420 nan 0.000 0.268 348 P C -0.807 176.612 177.300 0.198 0.000 1.205 348 P CA -0.144 63.067 63.100 0.185 0.000 0.771 348 P CB 0.821 32.611 31.700 0.150 0.000 0.858 349 V N 0.171 120.244 119.914 0.265 0.000 3.114 349 V HA 0.915 5.036 4.120 0.001 0.000 0.308 349 V C -0.230 176.072 176.094 0.346 0.000 1.168 349 V CA -1.077 61.372 62.300 0.248 0.000 1.015 349 V CB 1.991 33.927 31.823 0.188 0.000 1.050 349 V HN 0.569 nan 8.190 nan 0.000 0.433 350 G N 3.279 112.269 108.800 0.317 0.000 2.384 350 G HA2 0.630 4.591 3.960 0.001 0.000 0.316 350 G HA3 0.630 4.591 3.960 0.001 0.000 0.316 350 G C -0.583 174.526 174.900 0.349 0.000 1.160 350 G CA -0.604 44.726 45.100 0.382 0.000 0.936 350 G HN 0.616 nan 8.290 nan 0.000 0.455 351 I N 2.558 123.290 120.570 0.270 0.000 2.395 351 I HA 0.240 4.410 4.170 0.001 0.000 0.289 351 I C -0.152 175.988 176.117 0.038 0.000 1.023 351 I CA -0.537 60.836 61.300 0.121 0.000 1.350 351 I CB 1.394 39.412 38.000 0.029 0.000 1.409 351 I HN 0.022 nan 8.210 nan 0.000 0.507 352 V N 5.889 125.824 119.914 0.035 0.000 2.409 352 V HA 0.699 4.820 4.120 0.001 0.000 0.290 352 V C 0.011 176.064 176.094 -0.070 0.000 1.017 352 V CA -0.569 61.724 62.300 -0.011 0.000 0.841 352 V CB 1.532 33.412 31.823 0.096 0.000 1.003 352 V HN 0.877 nan 8.190 nan 0.000 0.426 353 A N 4.045 126.794 122.820 -0.119 0.000 2.381 353 A HA 0.709 5.030 4.320 0.001 0.000 0.299 353 A C -0.329 177.159 177.584 -0.160 0.000 1.049 353 A CA -0.783 51.160 52.037 -0.157 0.000 0.715 353 A CB 0.802 19.677 19.000 -0.207 0.000 1.222 353 A HN 0.839 nan 8.150 nan 0.000 0.428 354 N N 1.318 119.921 118.700 -0.162 0.000 2.454 354 N HA 0.301 5.042 4.740 0.001 0.000 0.254 354 N C -0.125 175.271 175.510 -0.190 0.000 1.228 354 N CA 0.237 53.189 53.050 -0.162 0.000 0.900 354 N CB 0.440 38.824 38.487 -0.170 0.000 1.089 354 N HN 0.651 nan 8.380 nan 0.000 0.449 355 Q N 2.753 122.452 119.800 -0.169 0.000 2.431 355 Q HA 0.334 4.675 4.340 0.001 0.000 0.249 355 Q C -2.266 173.612 176.000 -0.204 0.000 1.025 355 Q CA -2.194 53.493 55.803 -0.193 0.000 0.835 355 Q CB 1.461 30.118 28.738 -0.136 0.000 1.207 355 Q HN 0.346 nan 8.270 nan 0.000 0.490 356 P HA -0.106 nan 4.420 nan 0.000 0.222 356 P C 0.555 177.729 177.300 -0.209 0.000 1.147 356 P CA 1.206 64.117 63.100 -0.314 0.000 0.790 356 P CB 0.191 31.531 31.700 -0.599 0.000 0.780 357 T N -5.561 108.885 114.554 -0.180 0.000 3.148 357 T HA -0.062 4.288 4.350 0.001 0.000 0.253 357 T C 0.483 175.166 174.700 -0.029 0.000 1.134 357 T CA 0.305 62.352 62.100 -0.089 0.000 1.051 357 T CB -0.861 67.969 68.868 -0.062 0.000 0.959 357 T HN 0.197 nan 8.240 nan 0.000 0.525 358 H N -0.332 118.617 119.070 -0.202 0.000 3.078 358 H HA 0.277 4.834 4.556 0.001 0.000 0.319 358 H C -0.670 174.504 175.328 -0.257 0.000 0.995 358 H CA -1.070 54.775 56.048 -0.338 0.000 1.417 358 H CB 0.297 29.791 29.762 -0.448 0.000 1.598 358 H HN 0.320 nan 8.280 nan 0.000 0.515 359 F N 2.656 122.372 119.950 -0.390 0.000 2.988 359 F HA -0.361 4.167 4.527 0.001 0.000 0.287 359 F C 1.263 176.953 175.800 -0.184 0.000 0.781 359 F CA 0.371 58.187 58.000 -0.307 0.000 1.221 359 F CB -1.722 37.068 39.000 -0.350 0.000 1.392 359 F HN 0.757 nan 8.300 nan 0.000 0.425 360 A N -1.084 121.733 122.820 -0.006 0.000 2.861 360 A HA 0.026 4.347 4.320 0.001 0.000 0.261 360 A C 1.996 179.527 177.584 -0.088 0.000 1.351 360 A CA 1.951 53.958 52.037 -0.050 0.000 0.904 360 A CB -1.930 17.055 19.000 -0.025 0.000 1.076 360 A HN 2.456 nan 8.150 nan 0.000 0.729 361 G N -3.569 105.187 108.800 -0.074 0.000 2.175 361 G HA2 -0.117 3.843 3.960 0.001 0.000 0.244 361 G HA3 -0.117 3.843 3.960 0.001 0.000 0.244 361 G C 0.637 175.478 174.900 -0.097 0.000 0.982 361 G CA 0.375 45.412 45.100 -0.105 0.000 0.641 361 G HN 1.718 nan 8.290 nan 0.000 0.527 362 C N 1.305 120.569 119.300 -0.059 0.000 2.611 362 C HA 0.398 4.859 4.460 0.001 0.000 0.416 362 C C 1.604 176.543 174.990 -0.084 0.000 1.366 362 C CA -0.163 58.786 59.018 -0.114 0.000 1.761 362 C CB -0.724 26.954 27.740 -0.103 0.000 2.619 362 C HN 0.500 nan 8.230 nan 0.000 0.606 363 L N 4.690 125.784 121.223 -0.216 0.000 2.436 363 L HA 0.367 4.708 4.340 0.001 0.000 0.265 363 L C 0.371 177.268 176.870 0.045 0.000 1.168 363 L CA 0.470 55.249 54.840 -0.102 0.000 0.815 363 L CB 0.533 42.460 42.059 -0.221 0.000 1.109 363 L HN 0.793 nan 8.230 nan 0.000 0.462 364 D N 0.602 121.066 120.400 0.107 0.000 2.752 364 D HA 0.226 4.867 4.640 0.001 0.000 0.313 364 D C 0.764 177.125 176.300 0.102 0.000 1.225 364 D CA -0.664 53.393 54.000 0.095 0.000 0.976 364 D CB 0.593 41.396 40.800 0.006 0.000 1.443 364 D HN 0.291 nan 8.370 nan 0.000 0.515 365 I N 0.008 120.617 120.570 0.064 0.000 2.118 365 I HA -0.305 3.866 4.170 0.001 0.000 0.241 365 I C 1.762 177.926 176.117 0.079 0.000 1.070 365 I CA 1.520 62.858 61.300 0.064 0.000 1.327 365 I CB -0.486 37.542 38.000 0.048 0.000 1.034 365 I HN 0.311 nan 8.210 nan 0.000 0.405 366 N N 0.912 119.642 118.700 0.051 0.000 2.142 366 N HA -0.104 4.637 4.740 0.001 0.000 0.186 366 N C 1.848 177.371 175.510 0.021 0.000 1.023 366 N CA 1.576 54.641 53.050 0.025 0.000 0.852 366 N CB -0.498 37.857 38.487 -0.220 0.000 0.998 366 N HN 0.374 nan 8.380 nan 0.000 0.424 367 A N 0.313 123.132 122.820 -0.001 0.000 1.933 367 A HA -0.083 4.238 4.320 0.001 0.000 0.218 367 A C 2.410 180.042 177.584 0.080 0.000 1.175 367 A CA 1.702 53.756 52.037 0.028 0.000 0.628 367 A CB -0.675 18.346 19.000 0.036 0.000 0.814 367 A HN 0.261 nan 8.150 nan 0.000 0.444 368 S N -0.258 115.502 115.700 0.100 0.000 2.368 368 S HA -0.160 4.311 4.470 0.001 0.000 0.225 368 S C 1.841 176.517 174.600 0.127 0.000 1.030 368 S CA 1.537 59.807 58.200 0.117 0.000 0.999 368 S CB -0.275 63.003 63.200 0.131 0.000 0.844 368 S HN 0.718 nan 8.310 nan 0.000 0.459 369 E N 0.953 121.235 120.200 0.137 0.000 2.107 369 E HA -0.113 4.238 4.350 0.001 0.000 0.191 369 E C 2.122 178.827 176.600 0.175 0.000 0.982 369 E CA 0.704 57.191 56.400 0.146 0.000 0.809 369 E CB -0.079 29.710 29.700 0.149 0.000 0.756 369 E HN 0.424 nan 8.360 nan 0.000 0.459 370 K N 1.187 121.716 120.400 0.215 0.000 2.009 370 K HA -0.168 4.153 4.320 0.001 0.000 0.210 370 K C 2.148 178.871 176.600 0.205 0.000 1.049 370 K CA 1.479 57.904 56.287 0.230 0.000 0.929 370 K CB -0.157 32.497 32.500 0.257 0.000 0.714 370 K HN 0.065 nan 8.250 nan 0.000 0.440 371 A N 0.808 123.725 122.820 0.163 0.000 1.930 371 A HA -0.021 4.299 4.320 0.001 0.000 0.217 371 A C 2.305 180.030 177.584 0.235 0.000 1.175 371 A CA 1.678 53.824 52.037 0.181 0.000 0.627 371 A CB -0.719 18.349 19.000 0.114 0.000 0.815 371 A HN 0.530 nan 8.150 nan 0.000 0.443 372 A N -0.635 122.299 122.820 0.190 0.000 1.877 372 A HA -0.140 4.180 4.320 0.001 0.000 0.216 372 A C 2.292 179.981 177.584 0.175 0.000 1.186 372 A CA 1.540 53.684 52.037 0.179 0.000 0.620 372 A CB -0.458 18.631 19.000 0.147 0.000 0.822 372 A HN 0.349 nan 8.150 nan 0.000 0.443 373 R N -1.564 119.041 120.500 0.176 0.000 2.090 373 R HA -0.067 4.274 4.340 0.001 0.000 0.228 373 R C 1.899 178.303 176.300 0.173 0.000 1.110 373 R CA 1.353 57.541 56.100 0.146 0.000 0.973 373 R CB -0.813 29.573 30.300 0.144 0.000 0.869 373 R HN 0.564 nan 8.270 nan 0.000 0.440 374 F N 0.957 120.975 119.950 0.114 0.000 2.095 374 F HA -0.237 4.291 4.527 0.001 0.000 0.298 374 F C 2.200 178.064 175.800 0.107 0.000 1.104 374 F CA 1.431 59.500 58.000 0.116 0.000 1.232 374 F CB -0.408 38.646 39.000 0.090 0.000 0.987 374 F HN -0.249 nan 8.300 nan 0.000 0.475 375 V N 1.250 121.268 119.914 0.173 0.000 2.287 375 V HA -0.324 3.797 4.120 0.001 0.000 0.248 375 V C 2.556 178.642 176.094 -0.012 0.000 1.053 375 V CA 2.285 64.633 62.300 0.081 0.000 1.027 375 V CB -0.676 31.263 31.823 0.194 0.000 0.646 375 V HN 0.302 nan 8.190 nan 0.000 0.447 376 R N -0.243 120.270 120.500 0.022 0.000 2.120 376 R HA -0.119 4.222 4.340 0.001 0.000 0.234 376 R C 2.286 178.539 176.300 -0.078 0.000 1.123 376 R CA 1.830 57.922 56.100 -0.013 0.000 0.975 376 R CB -0.887 29.430 30.300 0.028 0.000 0.866 376 R HN 0.555 nan 8.270 nan 0.000 0.446 377 T N 0.691 115.198 114.554 -0.079 0.000 2.737 377 T HA -0.140 4.211 4.350 0.001 0.000 0.265 377 T C 2.193 176.896 174.700 0.006 0.000 1.038 377 T CA 1.257 63.333 62.100 -0.040 0.000 1.144 377 T CB -0.417 68.438 68.868 -0.023 0.000 0.866 377 T HN 0.299 nan 8.240 nan 0.000 0.434 378 C N 1.464 120.695 119.300 -0.115 0.000 2.413 378 C HA -0.125 4.335 4.460 0.001 0.000 0.276 378 C C 2.688 177.659 174.990 -0.031 0.000 1.236 378 C CA 0.883 59.873 59.018 -0.046 0.000 1.735 378 C CB -1.068 26.574 27.740 -0.163 0.000 2.031 378 C HN 0.640 nan 8.230 nan 0.000 0.474 379 D N -0.427 119.921 120.400 -0.086 0.000 2.097 379 D HA -0.133 4.508 4.640 0.001 0.000 0.195 379 D C 2.037 178.237 176.300 -0.166 0.000 0.989 379 D CA 1.502 55.440 54.000 -0.103 0.000 0.827 379 D CB -0.237 40.500 40.800 -0.104 0.000 0.966 379 D HN 0.490 nan 8.370 nan 0.000 0.456 380 C N -0.390 118.736 119.300 -0.290 0.000 2.403 380 C HA -0.131 4.330 4.460 0.001 0.000 0.277 380 C C 1.769 176.370 174.990 -0.648 0.000 1.248 380 C CA 0.456 59.129 59.018 -0.575 0.000 1.762 380 C CB -1.330 25.829 27.740 -0.968 0.000 2.014 380 C HN 0.309 nan 8.230 nan 0.000 0.486 381 F N 0.829 120.774 119.950 -0.008 0.000 2.668 381 F HA 0.258 4.786 4.527 0.001 0.000 0.301 381 F C 0.782 176.579 175.800 -0.005 0.000 1.106 381 F CA -0.457 57.541 58.000 -0.003 0.000 1.289 381 F CB -0.921 38.082 39.000 0.006 0.000 1.006 381 F HN 0.153 nan 8.300 nan 0.000 0.535 382 N N 0.881 119.619 118.700 0.065 0.000 2.780 382 N HA -0.168 4.573 4.740 0.001 0.000 0.248 382 N C -0.802 174.746 175.510 0.064 0.000 1.102 382 N CA 0.456 53.533 53.050 0.046 0.000 0.697 382 N CB -1.374 37.142 38.487 0.047 0.000 1.028 382 N HN 0.139 nan 8.380 nan 0.000 0.554 383 I N 0.640 121.259 120.570 0.081 0.000 2.312 383 I HA 0.298 4.469 4.170 0.001 0.000 0.290 383 I C -1.924 174.246 176.117 0.088 0.000 1.008 383 I CA -1.954 59.414 61.300 0.113 0.000 1.226 383 I CB 0.873 38.994 38.000 0.202 0.000 1.371 383 I HN -0.297 nan 8.210 nan 0.000 0.468 384 P HA 0.107 nan 4.420 nan 0.000 0.265 384 P C -0.379 176.984 177.300 0.104 0.000 1.187 384 P CA 0.334 63.480 63.100 0.076 0.000 0.766 384 P CB 0.593 32.344 31.700 0.084 0.000 0.820 385 I N 2.687 123.310 120.570 0.087 0.000 2.330 385 I HA 0.197 4.368 4.170 0.001 0.000 0.289 385 I C -0.393 175.812 176.117 0.147 0.000 1.001 385 I CA -0.683 60.697 61.300 0.134 0.000 1.193 385 I CB 1.407 39.480 38.000 0.121 0.000 1.345 385 I HN -0.042 nan 8.210 nan 0.000 0.461 386 V N 7.532 127.536 119.914 0.149 0.000 2.347 386 V HA 0.413 4.533 4.120 0.001 0.000 0.280 386 V C 0.194 176.337 176.094 0.081 0.000 1.021 386 V CA -0.434 61.932 62.300 0.109 0.000 0.847 386 V CB 1.323 33.202 31.823 0.093 0.000 0.990 386 V HN 0.663 nan 8.190 nan 0.000 0.444 387 M N 5.916 125.548 119.600 0.053 0.000 2.300 387 M HA 0.581 5.061 4.480 0.001 0.000 0.348 387 M C -0.976 175.273 176.300 -0.084 0.000 1.151 387 M CA -0.342 54.948 55.300 -0.016 0.000 1.046 387 M CB 1.696 34.268 32.600 -0.048 0.000 1.647 387 M HN 0.399 nan 8.290 nan 0.000 0.451 388 L N 3.890 125.036 121.223 -0.128 0.000 2.342 388 L HA 0.581 4.922 4.340 0.001 0.000 0.276 388 L C -1.067 175.679 176.870 -0.207 0.000 0.997 388 L CA -0.867 53.856 54.840 -0.195 0.000 0.838 388 L CB 1.539 43.480 42.059 -0.197 0.000 1.224 388 L HN 0.394 nan 8.230 nan 0.000 0.416 389 V N 1.868 121.640 119.914 -0.235 0.000 2.417 389 V HA 0.481 4.602 4.120 0.001 0.000 0.291 389 V C -0.702 175.270 176.094 -0.202 0.000 1.024 389 V CA -0.315 61.863 62.300 -0.204 0.000 0.861 389 V CB 1.923 33.639 31.823 -0.179 0.000 0.985 389 V HN 0.658 nan 8.190 nan 0.000 0.436 390 D N 3.646 123.935 120.400 -0.185 0.000 2.584 390 D HA 0.230 4.871 4.640 0.001 0.000 0.238 390 D C -1.632 174.548 176.300 -0.200 0.000 1.302 390 D CA -0.010 53.885 54.000 -0.174 0.000 0.884 390 D CB 1.645 42.374 40.800 -0.118 0.000 1.456 390 D HN 0.335 nan 8.370 nan 0.000 0.528 391 V N 5.046 124.822 119.914 -0.230 0.000 2.419 391 V HA 0.465 4.585 4.120 0.001 0.000 0.287 391 V C -2.094 173.829 176.094 -0.285 0.000 1.017 391 V CA -1.944 60.211 62.300 -0.241 0.000 0.844 391 V CB 2.374 34.054 31.823 -0.238 0.000 1.011 391 V HN 0.179 nan 8.190 nan 0.000 0.429 392 P HA 0.314 nan 4.420 nan 0.000 0.236 392 P C 0.650 177.948 177.300 -0.003 0.000 1.177 392 P CA 1.230 64.230 63.100 -0.167 0.000 0.773 392 P CB 0.245 31.906 31.700 -0.065 0.000 0.878 393 G N -1.618 107.084 108.800 -0.164 0.000 2.334 393 G HA2 0.139 4.100 3.960 0.001 0.000 0.249 393 G HA3 0.139 4.100 3.960 0.001 0.000 0.249 393 G C -1.734 172.862 174.900 -0.507 0.000 1.327 393 G CA -0.882 44.088 45.100 -0.217 0.000 0.979 393 G HN -0.073 nan 8.290 nan 0.000 0.471 394 F N 0.819 120.754 119.950 -0.025 0.000 2.443 394 F HA 0.578 5.105 4.527 0.001 0.000 0.335 394 F C 0.979 176.713 175.800 -0.110 0.000 1.104 394 F CA -0.836 57.126 58.000 -0.062 0.000 1.013 394 F CB 1.877 40.844 39.000 -0.054 0.000 1.136 394 F HN 0.328 nan 8.300 nan 0.000 0.470 395 L N 6.234 127.427 121.223 -0.050 0.000 2.700 395 L HA 0.045 4.386 4.340 0.001 0.000 0.272 395 L C -1.965 174.822 176.870 -0.139 0.000 1.176 395 L CA -0.978 53.730 54.840 -0.219 0.000 0.961 395 L CB 0.159 41.944 42.059 -0.456 0.000 1.249 395 L HN 0.348 nan 8.230 nan 0.000 0.487 396 P HA 0.437 nan 4.420 nan 0.000 0.275 396 P C -0.417 176.802 177.300 -0.133 0.000 1.228 396 P CA -0.095 62.948 63.100 -0.095 0.000 0.786 396 P CB 1.407 33.068 31.700 -0.065 0.000 0.927 397 G N 0.004 108.724 108.800 -0.133 0.000 2.322 397 G HA2 0.212 4.173 3.960 0.001 0.000 0.289 397 G HA3 0.212 4.173 3.960 0.001 0.000 0.289 397 G C 0.529 175.295 174.900 -0.223 0.000 1.687 397 G CA 0.013 45.017 45.100 -0.160 0.000 0.944 397 G HN 0.555 nan 8.290 nan 0.000 0.718 398 T N -1.597 112.786 114.554 -0.286 0.000 2.821 398 T HA -0.059 4.292 4.350 0.001 0.000 0.267 398 T C 1.503 175.741 174.700 -0.771 0.000 1.046 398 T CA 2.204 63.971 62.100 -0.556 0.000 1.139 398 T CB -0.114 68.420 68.868 -0.556 0.000 0.871 398 T HN 0.284 nan 8.240 nan 0.000 0.454 399 D N 0.922 121.071 120.400 -0.418 0.000 2.263 399 D HA -0.049 4.592 4.640 0.001 0.000 0.208 399 D C 2.438 178.655 176.300 -0.139 0.000 0.971 399 D CA 0.608 54.477 54.000 -0.218 0.000 0.867 399 D CB -0.209 40.552 40.800 -0.064 0.000 0.929 399 D HN 0.390 nan 8.370 nan 0.000 0.492 400 Q N 0.362 120.064 119.800 -0.163 0.000 2.079 400 Q HA -0.117 4.223 4.340 0.001 0.000 0.200 400 Q C 1.982 177.927 176.000 -0.092 0.000 0.974 400 Q CA 0.863 56.603 55.803 -0.105 0.000 0.840 400 Q CB -0.065 28.607 28.738 -0.110 0.000 0.898 400 Q HN 0.410 nan 8.270 nan 0.000 0.430 401 E N 0.078 120.187 120.200 -0.152 0.000 2.031 401 E HA -0.144 4.207 4.350 0.001 0.000 0.193 401 E C 2.117 178.754 176.600 0.062 0.000 0.994 401 E CA 1.025 57.374 56.400 -0.085 0.000 0.800 401 E CB -0.466 29.159 29.700 -0.125 0.000 0.752 401 E HN 0.567 nan 8.360 nan 0.000 0.447 402 Y N 0.987 121.275 120.300 -0.020 0.000 2.207 402 Y HA -0.137 4.414 4.550 0.001 0.000 0.287 402 Y C 1.889 177.783 175.900 -0.010 0.000 1.156 402 Y CA 0.453 58.545 58.100 -0.014 0.000 1.182 402 Y CB -0.037 38.417 38.460 -0.010 0.000 0.979 402 Y HN 0.049 nan 8.280 nan 0.000 0.521 403 N N -0.608 118.180 118.700 0.146 0.000 2.398 403 N HA 0.079 4.819 4.740 0.001 0.000 0.188 403 N C 1.006 176.548 175.510 0.052 0.000 1.122 403 N CA 1.047 54.148 53.050 0.085 0.000 0.866 403 N CB 0.785 39.312 38.487 0.066 0.000 0.970 403 N HN 0.442 nan 8.380 nan 0.000 0.462 404 G N 0.984 109.809 108.800 0.041 0.000 2.173 404 G HA2 -0.226 3.735 3.960 0.001 0.000 0.174 404 G HA3 -0.226 3.735 3.960 0.001 0.000 0.174 404 G C 0.784 175.680 174.900 -0.006 0.000 1.025 404 G CA 0.024 45.135 45.100 0.018 0.000 0.706 404 G HN 0.261 nan 8.290 nan 0.000 0.499 405 I N 0.538 121.092 120.570 -0.026 0.000 2.208 405 I HA -0.112 4.059 4.170 0.001 0.000 0.245 405 I C 2.552 178.608 176.117 -0.101 0.000 1.097 405 I CA 2.052 63.316 61.300 -0.060 0.000 1.363 405 I CB -0.214 37.730 38.000 -0.092 0.000 1.051 405 I HN 0.496 nan 8.210 nan 0.000 0.413 406 I N 0.033 120.542 120.570 -0.101 0.000 2.127 406 I HA -0.337 3.833 4.170 0.001 0.000 0.241 406 I C 2.731 178.810 176.117 -0.064 0.000 1.075 406 I CA 1.875 63.111 61.300 -0.106 0.000 1.334 406 I CB -0.597 37.356 38.000 -0.079 0.000 1.040 406 I HN 0.242 nan 8.210 nan 0.000 0.405 407 R N 1.199 121.678 120.500 -0.035 0.000 2.073 407 R HA -0.146 4.194 4.340 0.001 0.000 0.234 407 R C 2.467 178.761 176.300 -0.010 0.000 1.134 407 R CA 1.601 57.690 56.100 -0.019 0.000 0.952 407 R CB -0.066 30.227 30.300 -0.011 0.000 0.850 407 R HN 0.276 nan 8.270 nan 0.000 0.433 408 R N -0.873 119.625 120.500 -0.004 0.000 2.100 408 R HA 0.089 4.430 4.340 0.001 0.000 0.220 408 R C 2.409 178.728 176.300 0.032 0.000 1.091 408 R CA 0.875 56.986 56.100 0.018 0.000 0.986 408 R CB -0.307 30.011 30.300 0.030 0.000 0.888 408 R HN 0.358 nan 8.270 nan 0.000 0.444 409 G N 1.288 110.094 108.800 0.009 0.000 2.442 409 G HA2 -0.294 3.667 3.960 0.001 0.000 0.219 409 G HA3 -0.294 3.667 3.960 0.001 0.000 0.219 409 G C 1.565 176.488 174.900 0.039 0.000 1.141 409 G CA 0.822 45.938 45.100 0.026 0.000 0.763 409 G HN 0.389 nan 8.290 nan 0.000 0.554 410 A N 0.728 123.556 122.820 0.013 0.000 2.024 410 A HA -0.036 4.285 4.320 0.001 0.000 0.220 410 A C 2.272 179.916 177.584 0.100 0.000 1.164 410 A CA 1.959 54.023 52.037 0.044 0.000 0.643 410 A CB -0.331 18.686 19.000 0.029 0.000 0.806 410 A HN 0.422 nan 8.150 nan 0.000 0.451 411 K N -1.011 119.441 120.400 0.087 0.000 2.147 411 K HA -0.095 4.226 4.320 0.001 0.000 0.205 411 K C 1.805 178.502 176.600 0.162 0.000 1.049 411 K CA 1.227 57.580 56.287 0.109 0.000 0.936 411 K CB -0.265 32.274 32.500 0.065 0.000 0.722 411 K HN 0.408 nan 8.250 nan 0.000 0.446 412 L N 1.235 122.542 121.223 0.139 0.000 2.109 412 L HA -0.074 4.266 4.340 0.001 0.000 0.207 412 L C 1.733 178.695 176.870 0.152 0.000 1.086 412 L CA 1.393 56.321 54.840 0.146 0.000 0.760 412 L CB -0.341 41.790 42.059 0.119 0.000 0.910 412 L HN 0.115 nan 8.230 nan 0.000 0.437 413 L N -1.723 119.577 121.223 0.129 0.000 1.989 413 L HA -0.302 4.039 4.340 0.001 0.000 0.211 413 L C 2.501 179.456 176.870 0.141 0.000 1.071 413 L CA 2.010 56.917 54.840 0.112 0.000 0.749 413 L CB -0.882 41.225 42.059 0.080 0.000 0.890 413 L HN 0.312 nan 8.230 nan 0.000 0.431 414 Y N 0.364 120.700 120.300 0.060 0.000 2.097 414 Y HA -0.366 4.184 4.550 0.001 0.000 0.282 414 Y C 2.501 178.436 175.900 0.058 0.000 1.152 414 Y CA 1.736 59.866 58.100 0.049 0.000 1.136 414 Y CB -0.250 38.231 38.460 0.034 0.000 0.975 414 Y HN 0.152 nan 8.280 nan 0.000 0.498 415 A N -0.817 122.187 122.820 0.306 0.000 1.908 415 A HA -0.268 4.053 4.320 0.001 0.000 0.218 415 A C 2.125 179.775 177.584 0.110 0.000 1.181 415 A CA 1.865 54.033 52.037 0.218 0.000 0.627 415 A CB -1.512 17.611 19.000 0.205 0.000 0.818 415 A HN 0.722 nan 8.150 nan 0.000 0.445 416 Y N 0.376 120.682 120.300 0.011 0.000 2.220 416 Y HA 0.045 4.596 4.550 0.001 0.000 0.291 416 Y C 2.529 178.387 175.900 -0.071 0.000 1.129 416 Y CA 1.380 59.467 58.100 -0.021 0.000 1.161 416 Y CB -0.574 37.876 38.460 -0.017 0.000 0.997 416 Y HN 0.264 nan 8.280 nan 0.000 0.522 417 G N -0.497 108.326 108.800 0.039 0.000 2.448 417 G HA2 -0.283 3.678 3.960 0.001 0.000 0.219 417 G HA3 -0.283 3.678 3.960 0.001 0.000 0.219 417 G C 1.518 176.300 174.900 -0.196 0.000 1.127 417 G CA 0.902 45.955 45.100 -0.079 0.000 0.766 417 G HN 0.519 nan 8.290 nan 0.000 0.552 418 E N 0.531 120.574 120.200 -0.262 0.000 2.152 418 E HA 0.191 4.542 4.350 0.001 0.000 0.192 418 E C 1.563 178.058 176.600 -0.175 0.000 0.983 418 E CA 0.187 56.437 56.400 -0.250 0.000 0.818 418 E CB -0.116 29.422 29.700 -0.270 0.000 0.758 418 E HN 0.325 nan 8.360 nan 0.000 0.467 419 A N 0.665 123.365 122.820 -0.199 0.000 2.511 419 A HA 0.070 4.390 4.320 0.001 0.000 0.242 419 A C 0.911 178.378 177.584 -0.194 0.000 1.069 419 A CA 0.687 52.601 52.037 -0.205 0.000 0.763 419 A CB 0.308 19.134 19.000 -0.290 0.000 1.001 419 A HN 0.364 nan 8.150 nan 0.000 0.498 420 T N -0.508 113.962 114.554 -0.140 0.000 3.003 420 T HA 0.294 4.645 4.350 0.001 0.000 0.261 420 T C 0.617 175.265 174.700 -0.087 0.000 1.003 420 T CA 0.476 62.511 62.100 -0.108 0.000 0.917 420 T CB -1.268 67.553 68.868 -0.079 0.000 1.084 420 T HN 1.238 nan 8.240 nan 0.000 0.522 421 V N -0.237 119.624 119.914 -0.088 0.000 3.287 421 V HA 0.351 4.472 4.120 0.001 0.000 0.306 421 V C -2.684 173.378 176.094 -0.054 0.000 1.103 421 V CA -2.061 60.206 62.300 -0.055 0.000 1.159 421 V CB -0.593 31.207 31.823 -0.038 0.000 1.036 421 V HN -0.008 nan 8.190 nan 0.000 0.487 422 P HA 0.173 nan 4.420 nan 0.000 0.261 422 P C -0.839 176.458 177.300 -0.005 0.000 1.183 422 P CA 0.551 63.650 63.100 -0.002 0.000 0.761 422 P CB 0.118 31.834 31.700 0.026 0.000 0.785 423 K N 3.799 124.194 120.400 -0.009 0.000 2.358 423 K HA 0.570 4.891 4.320 0.001 0.000 0.260 423 K C -0.504 176.148 176.600 0.086 0.000 0.956 423 K CA -0.432 55.865 56.287 0.018 0.000 0.834 423 K CB 1.345 33.791 32.500 -0.090 0.000 1.102 423 K HN 0.364 nan 8.250 nan 0.000 0.431 424 I N 1.895 122.532 120.570 0.111 0.000 2.466 424 I HA 0.285 4.456 4.170 0.001 0.000 0.289 424 I C -0.583 175.591 176.117 0.094 0.000 1.026 424 I CA -0.534 60.828 61.300 0.104 0.000 1.078 424 I CB 2.418 40.478 38.000 0.100 0.000 1.249 424 I HN 0.462 nan 8.210 nan 0.000 0.429 425 T N 5.327 119.921 114.554 0.067 0.000 2.824 425 T HA 0.575 4.926 4.350 0.001 0.000 0.282 425 T C -0.556 174.128 174.700 -0.026 0.000 0.993 425 T CA -0.535 61.571 62.100 0.010 0.000 0.967 425 T CB 1.919 70.776 68.868 -0.018 0.000 0.960 425 T HN 0.177 nan 8.240 nan 0.000 0.441 426 V N 4.533 124.393 119.914 -0.090 0.000 2.407 426 V HA 0.443 4.564 4.120 0.001 0.000 0.291 426 V C -0.148 175.778 176.094 -0.280 0.000 1.018 426 V CA -0.842 61.355 62.300 -0.173 0.000 0.842 426 V CB 1.268 32.969 31.823 -0.203 0.000 0.996 426 V HN 0.828 nan 8.190 nan 0.000 0.426 427 I N 4.731 125.155 120.570 -0.244 0.000 2.308 427 I HA 0.153 4.324 4.170 0.001 0.000 0.293 427 I C 1.719 177.586 176.117 -0.416 0.000 1.078 427 I CA 0.068 61.214 61.300 -0.256 0.000 1.292 427 I CB 1.448 39.381 38.000 -0.112 0.000 1.423 427 I HN 0.837 nan 8.210 nan 0.000 0.493 428 T N 2.927 117.141 114.554 -0.566 0.000 2.978 428 T HA 0.064 4.415 4.350 0.001 0.000 0.262 428 T C 1.322 175.925 174.700 -0.163 0.000 1.063 428 T CA 0.640 62.317 62.100 -0.705 0.000 1.140 428 T CB 0.408 68.726 68.868 -0.918 0.000 0.886 428 T HN 0.642 nan 8.240 nan 0.000 0.470 429 R N 0.071 120.495 120.500 -0.126 0.000 2.969 429 R HA 0.392 4.733 4.340 0.001 0.000 0.094 429 R C -0.876 175.351 176.300 -0.122 0.000 0.687 429 R CA -0.647 55.422 56.100 -0.052 0.000 0.508 429 R CB 0.391 30.716 30.300 0.042 0.000 0.445 429 R HN -0.007 nan 8.270 nan 0.000 0.332 430 K N 0.602 120.885 120.400 -0.194 0.000 2.237 430 K HA 0.469 4.790 4.320 0.001 0.000 0.270 430 K C -1.197 175.197 176.600 -0.344 0.000 1.015 430 K CA 0.247 56.290 56.287 -0.406 0.000 0.949 430 K CB 1.595 33.735 32.500 -0.601 0.000 0.976 430 K HN 0.458 nan 8.250 nan 0.000 0.472 431 A N 3.974 126.591 122.820 -0.338 0.000 2.611 431 A HA 0.339 4.660 4.320 0.001 0.000 0.282 431 A C -1.657 175.992 177.584 0.108 0.000 1.114 431 A CA -0.606 51.381 52.037 -0.082 0.000 0.800 431 A CB 0.304 19.369 19.000 0.110 0.000 1.325 431 A HN 0.721 nan 8.150 nan 0.000 0.411 432 Y N 1.631 121.951 120.300 0.033 0.000 2.364 432 Y HA 0.541 5.091 4.550 0.001 0.000 0.340 432 Y C 1.216 177.153 175.900 0.062 0.000 0.975 432 Y CA -0.040 58.077 58.100 0.027 0.000 1.089 432 Y CB 2.182 40.645 38.460 0.005 0.000 1.192 432 Y HN 1.353 nan 8.280 nan 0.000 0.454 433 G N 1.789 110.730 108.800 0.235 0.000 2.539 433 G HA2 -0.308 3.653 3.960 0.001 0.000 0.256 433 G HA3 -0.308 3.653 3.960 0.001 0.000 0.256 433 G C 1.100 176.139 174.900 0.231 0.000 1.233 433 G CA -0.101 45.106 45.100 0.180 0.000 0.936 433 G HN 1.037 nan 8.290 nan 0.000 0.571 434 G N -0.160 108.786 108.800 0.242 0.000 2.462 434 G HA2 0.230 4.190 3.960 0.001 0.000 0.220 434 G HA3 0.230 4.190 3.960 0.001 0.000 0.220 434 G C 2.078 177.158 174.900 0.299 0.000 1.121 434 G CA 2.893 48.163 45.100 0.282 0.000 0.758 434 G HN 1.916 nan 8.290 nan 0.000 0.559 435 A N 0.106 123.037 122.820 0.186 0.000 1.930 435 A HA 0.018 4.339 4.320 0.001 0.000 0.217 435 A C 2.095 179.638 177.584 -0.068 0.000 1.175 435 A CA 1.563 53.517 52.037 -0.138 0.000 0.627 435 A CB -0.624 18.059 19.000 -0.529 0.000 0.815 435 A HN 0.516 nan 8.150 nan 0.000 0.443 436 Y N 0.699 120.962 120.300 -0.061 0.000 2.081 436 Y HA -0.375 4.175 4.550 0.001 0.000 0.280 436 Y C 2.474 178.327 175.900 -0.079 0.000 1.163 436 Y CA 1.771 59.833 58.100 -0.063 0.000 1.135 436 Y CB -1.036 37.420 38.460 -0.007 0.000 0.970 436 Y HN 0.383 nan 8.280 nan 0.000 0.498 437 C N -0.595 118.534 119.300 -0.285 0.000 2.393 437 C HA -0.225 4.236 4.460 0.001 0.000 0.276 437 C C 2.812 177.605 174.990 -0.329 0.000 1.215 437 C CA 1.213 60.021 59.018 -0.349 0.000 1.743 437 C CB -1.507 26.196 27.740 -0.062 0.000 2.044 437 C HN 0.552 nan 8.230 nan 0.000 0.464 438 V N 0.464 120.274 119.914 -0.173 0.000 2.287 438 V HA -0.196 3.925 4.120 0.001 0.000 0.248 438 V C 1.515 177.410 176.094 -0.331 0.000 1.053 438 V CA 1.502 63.711 62.300 -0.151 0.000 1.027 438 V CB -0.457 31.374 31.823 0.012 0.000 0.646 438 V HN 0.553 nan 8.190 nan 0.000 0.447 439 M N 0.658 120.042 119.600 -0.359 0.000 3.586 439 M HA 0.315 4.795 4.480 0.001 0.000 0.225 439 M C 1.215 177.206 176.300 -0.516 0.000 1.428 439 M CA 0.421 55.489 55.300 -0.385 0.000 1.613 439 M CB -0.858 31.583 32.600 -0.265 0.000 1.063 439 M HN 0.489 nan 8.290 nan 0.000 0.593 440 G N 1.859 110.155 108.800 -0.840 0.000 2.273 440 G HA2 -0.243 3.717 3.960 0.001 0.000 0.280 440 G HA3 -0.243 3.717 3.960 0.001 0.000 0.280 440 G C 0.355 174.996 174.900 -0.431 0.000 1.047 440 G CA 0.538 45.133 45.100 -0.842 0.000 0.869 440 G HN 0.739 nan 8.290 nan 0.000 0.502 441 S N -0.908 114.456 115.700 -0.559 0.000 2.563 441 S HA 0.313 4.784 4.470 0.001 0.000 0.284 441 S C 1.583 176.055 174.600 -0.213 0.000 1.331 441 S CA 0.592 58.450 58.200 -0.569 0.000 1.047 441 S CB 1.620 64.284 63.200 -0.894 0.000 0.859 441 S HN 0.586 nan 8.310 nan 0.000 0.514 442 K N 1.528 121.867 120.400 -0.101 0.000 2.097 442 K HA -0.238 4.083 4.320 0.001 0.000 0.214 442 K C 1.087 177.659 176.600 -0.045 0.000 1.052 442 K CA 2.442 58.720 56.287 -0.016 0.000 0.932 442 K CB -0.724 31.809 32.500 0.055 0.000 0.716 442 K HN 0.773 nan 8.250 nan 0.000 0.455 443 D N -0.849 119.470 120.400 -0.136 0.000 2.355 443 D HA -0.039 4.601 4.640 0.001 0.000 0.218 443 D C 1.063 177.329 176.300 -0.057 0.000 1.004 443 D CA 0.319 54.261 54.000 -0.096 0.000 0.880 443 D CB 0.162 40.875 40.800 -0.145 0.000 0.911 443 D HN 0.226 nan 8.370 nan 0.000 0.528 444 M N -0.456 119.112 119.600 -0.053 0.000 2.628 444 M HA 0.123 4.604 4.480 0.001 0.000 0.232 444 M C 1.080 177.445 176.300 0.109 0.000 1.128 444 M CA 0.262 55.580 55.300 0.029 0.000 1.040 444 M CB -0.092 32.517 32.600 0.015 0.000 1.608 444 M HN 0.117 nan 8.290 nan 0.000 0.507 445 G N 0.275 109.114 108.800 0.065 0.000 2.144 445 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 445 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 445 G C 0.218 175.148 174.900 0.049 0.000 0.988 445 G CA 0.016 45.134 45.100 0.030 0.000 0.659 445 G HN 0.507 nan 8.290 nan 0.000 0.522 446 C N 1.037 120.428 119.300 0.151 0.000 2.653 446 C HA 0.448 4.909 4.460 0.001 0.000 0.421 446 C C 1.844 176.882 174.990 0.080 0.000 1.334 446 C CA 0.456 59.571 59.018 0.160 0.000 1.885 446 C CB -0.041 27.814 27.740 0.191 0.000 2.645 446 C HN 0.513 nan 8.230 nan 0.000 0.601 447 D N 2.297 122.735 120.400 0.063 0.000 2.110 447 D HA 0.039 4.679 4.640 0.001 0.000 0.202 447 D C 0.217 176.560 176.300 0.072 0.000 0.975 447 D CA 1.479 55.510 54.000 0.052 0.000 0.839 447 D CB 0.065 40.886 40.800 0.035 0.000 0.996 447 D HN 0.422 nan 8.370 nan 0.000 0.464 448 V N 1.408 121.373 119.914 0.085 0.000 2.483 448 V HA 0.293 4.414 4.120 0.001 0.000 0.297 448 V C -0.880 175.271 176.094 0.095 0.000 1.027 448 V CA -0.803 61.557 62.300 0.099 0.000 0.855 448 V CB 1.701 33.593 31.823 0.115 0.000 0.995 448 V HN -0.047 nan 8.190 nan 0.000 0.424 449 N N 4.544 123.299 118.700 0.091 0.000 2.417 449 N HA 0.730 5.471 4.740 0.001 0.000 0.274 449 N C -1.248 174.296 175.510 0.055 0.000 0.987 449 N CA -0.514 52.581 53.050 0.074 0.000 0.912 449 N CB 1.624 40.166 38.487 0.092 0.000 1.177 449 N HN 0.364 nan 8.380 nan 0.000 0.490 450 L N 1.486 122.722 121.223 0.022 0.000 2.323 450 L HA 0.919 5.259 4.340 0.001 0.000 0.265 450 L C -0.317 176.538 176.870 -0.026 0.000 1.012 450 L CA -1.188 53.641 54.840 -0.018 0.000 0.820 450 L CB 1.501 43.539 42.059 -0.034 0.000 1.334 450 L HN 0.615 nan 8.230 nan 0.000 0.427 451 A N 0.330 123.143 122.820 -0.011 0.000 2.549 451 A HA 0.739 5.059 4.320 0.001 0.000 0.297 451 A C -1.849 175.828 177.584 0.156 0.000 1.061 451 A CA -0.553 51.482 52.037 -0.004 0.000 0.690 451 A CB 0.920 19.891 19.000 -0.049 0.000 1.287 451 A HN 0.472 nan 8.150 nan 0.000 0.402 452 W N 1.087 122.311 121.300 -0.127 0.000 2.283 452 W HA 0.487 5.148 4.660 0.001 0.000 0.341 452 W C -1.963 174.473 176.519 -0.139 0.000 1.206 452 W CA -1.887 55.381 57.345 -0.128 0.000 1.294 452 W CB -0.052 29.343 29.460 -0.109 0.000 1.154 452 W HN 0.486 nan 8.180 nan 0.000 0.613 453 P HA -0.137 nan 4.420 nan 0.000 0.223 453 P C 1.244 178.559 177.300 0.024 0.000 1.144 453 P CA 2.088 65.195 63.100 0.011 0.000 0.783 453 P CB -0.040 31.665 31.700 0.008 0.000 0.771 454 T N -4.076 110.526 114.554 0.080 0.000 3.129 454 T HA 0.334 4.684 4.350 0.001 0.000 0.251 454 T C 0.965 175.688 174.700 0.038 0.000 1.117 454 T CA -0.144 61.997 62.100 0.068 0.000 1.034 454 T CB -0.649 68.275 68.868 0.095 0.000 0.968 454 T HN 0.046 nan 8.240 nan 0.000 0.526 455 A N 1.624 124.450 122.820 0.011 0.000 2.567 455 A HA 0.262 4.583 4.320 0.001 0.000 0.240 455 A C 0.227 177.791 177.584 -0.033 0.000 1.053 455 A CA -0.011 52.003 52.037 -0.040 0.000 0.755 455 A CB -0.069 18.888 19.000 -0.072 0.000 0.978 455 A HN 0.607 nan 8.150 nan 0.000 0.507 456 Q N 1.684 121.473 119.800 -0.018 0.000 2.464 456 Q HA 0.487 4.828 4.340 0.001 0.000 0.256 456 Q C -1.371 174.689 176.000 0.100 0.000 1.020 456 Q CA 0.117 55.959 55.803 0.065 0.000 0.716 456 Q CB 1.384 30.183 28.738 0.102 0.000 1.230 456 Q HN 0.731 nan 8.270 nan 0.000 0.494 457 I N 1.762 122.378 120.570 0.076 0.000 2.389 457 I HA 0.825 4.995 4.170 0.001 0.000 0.288 457 I C -0.322 175.824 176.117 0.048 0.000 0.999 457 I CA -0.582 60.737 61.300 0.031 0.000 1.129 457 I CB 1.636 39.578 38.000 -0.095 0.000 1.288 457 I HN 0.526 nan 8.210 nan 0.000 0.444 458 A N 4.434 127.323 122.820 0.114 0.000 2.586 458 A HA 0.521 4.841 4.320 0.001 0.000 0.291 458 A C 0.303 177.897 177.584 0.016 0.000 1.062 458 A CA -0.533 51.531 52.037 0.044 0.000 0.666 458 A CB 0.880 19.904 19.000 0.041 0.000 1.281 458 A HN 0.345 nan 8.150 nan 0.000 0.421 459 V N 0.460 120.362 119.914 -0.021 0.000 2.343 459 V HA -0.033 4.087 4.120 0.001 0.000 0.247 459 V C 1.015 177.058 176.094 -0.086 0.000 1.051 459 V CA 2.727 65.010 62.300 -0.028 0.000 1.036 459 V CB -1.014 30.787 31.823 -0.037 0.000 0.654 459 V HN 0.986 nan 8.190 nan 0.000 0.451 460 M N -2.135 117.339 119.600 -0.210 0.000 2.603 460 M HA 0.666 5.147 4.480 0.001 0.000 0.275 460 M C -0.141 175.768 176.300 -0.651 0.000 1.226 460 M CA -0.440 54.627 55.300 -0.389 0.000 0.870 460 M CB 1.537 34.017 32.600 -0.201 0.000 1.716 460 M HN 0.028 nan 8.290 nan 0.000 0.482 461 G N 0.675 108.928 108.800 -0.910 0.000 2.562 461 G HA2 0.370 4.331 3.960 0.001 0.000 0.233 461 G HA3 0.370 4.331 3.960 0.001 0.000 0.233 461 G C 0.842 175.601 174.900 -0.235 0.000 1.266 461 G CA 0.040 44.782 45.100 -0.597 0.000 0.852 461 G HN 1.148 nan 8.290 nan 0.000 0.581 462 A N 1.284 124.071 122.820 -0.056 0.000 1.948 462 A HA -0.158 4.163 4.320 0.001 0.000 0.220 462 A C 2.762 180.272 177.584 -0.124 0.000 1.177 462 A CA 2.935 54.949 52.037 -0.039 0.000 0.636 462 A CB -0.773 18.341 19.000 0.191 0.000 0.815 462 A HN 1.393 nan 8.150 nan 0.000 0.449 463 S N -0.679 114.989 115.700 -0.053 0.000 2.355 463 S HA 0.048 4.519 4.470 0.001 0.000 0.222 463 S C 2.087 176.651 174.600 -0.060 0.000 1.031 463 S CA 1.358 59.534 58.200 -0.040 0.000 0.993 463 S CB -1.239 61.958 63.200 -0.006 0.000 0.859 463 S HN 0.704 nan 8.310 nan 0.000 0.453 464 G N 1.377 110.147 108.800 -0.049 0.000 2.408 464 G HA2 0.111 4.072 3.960 0.001 0.000 0.217 464 G HA3 0.111 4.072 3.960 0.001 0.000 0.217 464 G C 1.671 176.603 174.900 0.054 0.000 1.150 464 G CA 0.816 45.922 45.100 0.011 0.000 0.776 464 G HN 0.791 nan 8.290 nan 0.000 0.542 465 A N 0.771 123.526 122.820 -0.109 0.000 1.898 465 A HA 0.044 4.365 4.320 0.001 0.000 0.216 465 A C 2.732 180.186 177.584 -0.217 0.000 1.181 465 A CA 2.450 54.362 52.037 -0.208 0.000 0.620 465 A CB -0.912 17.679 19.000 -0.681 0.000 0.819 465 A HN 0.900 nan 8.150 nan 0.000 0.442 466 V N -1.302 118.466 119.914 -0.244 0.000 2.380 466 V HA -0.155 3.966 4.120 0.001 0.000 0.251 466 V C 2.372 178.470 176.094 0.007 0.000 1.063 466 V CA 2.178 64.470 62.300 -0.015 0.000 1.055 466 V CB -2.004 29.881 31.823 0.103 0.000 0.657 466 V HN 0.442 nan 8.190 nan 0.000 0.455 467 G N -0.065 108.662 108.800 -0.122 0.000 2.513 467 G HA2 -0.265 3.696 3.960 0.001 0.000 0.219 467 G HA3 -0.265 3.696 3.960 0.001 0.000 0.219 467 G C 1.347 176.046 174.900 -0.335 0.000 1.160 467 G CA 1.570 46.501 45.100 -0.281 0.000 0.767 467 G HN 0.595 nan 8.290 nan 0.000 0.571 468 F N -0.286 119.608 119.950 -0.093 0.000 2.179 468 F HA 0.121 4.648 4.527 0.001 0.000 0.292 468 F C 2.772 178.493 175.800 -0.130 0.000 1.089 468 F CA 0.410 58.352 58.000 -0.098 0.000 1.295 468 F CB -0.604 38.331 39.000 -0.108 0.000 1.041 468 F HN -0.039 nan 8.300 nan 0.000 0.487 469 V N -1.357 118.535 119.914 -0.036 0.000 2.515 469 V HA -0.236 3.884 4.120 0.001 0.000 0.250 469 V C 0.009 175.854 176.094 -0.414 0.000 1.058 469 V CA 1.488 63.616 62.300 -0.286 0.000 1.064 469 V CB -0.642 30.894 31.823 -0.477 0.000 0.675 469 V HN 0.375 nan 8.190 nan 0.000 0.461 470 Y N 0.275 120.582 120.300 0.012 0.000 2.480 470 Y HA 0.424 4.975 4.550 0.001 0.000 0.356 470 Y C 0.765 176.652 175.900 -0.021 0.000 0.922 470 Y CA -0.682 57.420 58.100 0.003 0.000 1.146 470 Y CB 0.045 38.506 38.460 0.002 0.000 1.185 470 Y HN 0.113 nan 8.280 nan 0.000 0.624 489 L N 1.268 122.473 121.223 -0.030 0.000 2.217 489 L HA 0.199 4.540 4.340 0.001 0.000 0.211 489 L C 2.533 179.395 176.870 -0.014 0.000 1.107 489 L CA 1.526 56.358 54.840 -0.014 0.000 0.783 489 L CB -0.214 41.839 42.059 -0.009 0.000 0.919 489 L HN 0.276 nan 8.230 nan 0.000 0.442 490 R N -0.486 119.993 120.500 -0.035 0.000 2.073 490 R HA -0.147 4.194 4.340 0.001 0.000 0.229 490 R C 2.162 178.428 176.300 -0.056 0.000 1.120 490 R CA 1.111 57.186 56.100 -0.042 0.000 0.967 490 R CB -0.011 30.254 30.300 -0.059 0.000 0.862 490 R HN 0.184 nan 8.270 nan 0.000 0.436 491 L N 1.311 122.469 121.223 -0.109 0.000 2.056 491 L HA -0.119 4.222 4.340 0.001 0.000 0.207 491 L C 2.422 179.323 176.870 0.052 0.000 1.078 491 L CA 1.639 56.371 54.840 -0.179 0.000 0.749 491 L CB -0.918 40.916 42.059 -0.375 0.000 0.901 491 L HN 0.246 nan 8.230 nan 0.000 0.433 492 Q N -0.898 118.939 119.800 0.061 0.000 2.014 492 Q HA -0.295 4.045 4.340 0.001 0.000 0.207 492 Q C 2.211 178.299 176.000 0.146 0.000 0.993 492 Q CA 2.155 58.024 55.803 0.110 0.000 0.850 492 Q CB -0.306 28.465 28.738 0.055 0.000 0.916 492 Q HN 0.505 nan 8.270 nan 0.000 0.417 493 Q N 0.856 120.707 119.800 0.085 0.000 2.112 493 Q HA -0.271 4.070 4.340 0.001 0.000 0.206 493 Q C 1.755 177.808 176.000 0.089 0.000 0.987 493 Q CA 2.021 57.869 55.803 0.075 0.000 0.858 493 Q CB -0.211 28.551 28.738 0.040 0.000 0.905 493 Q HN 0.470 nan 8.270 nan 0.000 0.420 494 E N -0.919 119.334 120.200 0.088 0.000 2.051 494 E HA -0.217 4.134 4.350 0.001 0.000 0.192 494 E C 1.981 178.668 176.600 0.145 0.000 0.991 494 E CA 1.058 57.512 56.400 0.091 0.000 0.799 494 E CB -0.389 29.346 29.700 0.059 0.000 0.748 494 E HN 0.475 nan 8.360 nan 0.000 0.449 495 Y N 1.590 121.960 120.300 0.116 0.000 2.097 495 Y HA -0.255 4.296 4.550 0.001 0.000 0.282 495 Y C 2.412 178.358 175.900 0.077 0.000 1.152 495 Y CA 2.092 60.267 58.100 0.126 0.000 1.136 495 Y CB -0.050 38.509 38.460 0.166 0.000 0.975 495 Y HN 0.069 nan 8.280 nan 0.000 0.498 496 E N 0.432 120.780 120.200 0.245 0.000 2.033 496 E HA -0.234 4.117 4.350 0.001 0.000 0.199 496 E C 1.817 178.458 176.600 0.069 0.000 1.011 496 E CA 1.817 58.310 56.400 0.156 0.000 0.815 496 E CB -0.486 29.297 29.700 0.137 0.000 0.755 496 E HN 0.554 nan 8.360 nan 0.000 0.451 497 D N -0.821 119.616 120.400 0.061 0.000 2.264 497 D HA -0.063 4.578 4.640 0.001 0.000 0.208 497 D C 1.673 177.982 176.300 0.015 0.000 0.966 497 D CA 0.946 54.971 54.000 0.041 0.000 0.864 497 D CB -0.081 40.743 40.800 0.039 0.000 0.933 497 D HN 0.173 nan 8.370 nan 0.000 0.499 498 T N -0.176 114.365 114.554 -0.022 0.000 2.953 498 T HA 0.050 4.401 4.350 0.001 0.000 0.247 498 T C 1.462 176.108 174.700 -0.091 0.000 1.029 498 T CA 0.270 62.337 62.100 -0.056 0.000 1.144 498 T CB 0.538 69.358 68.868 -0.080 0.000 0.870 498 T HN -0.013 nan 8.240 nan 0.000 0.446 499 L N 0.251 121.366 121.223 -0.181 0.000 2.766 499 L HA 0.392 4.732 4.340 0.001 0.000 0.241 499 L C 0.278 177.070 176.870 -0.131 0.000 1.080 499 L CA 0.488 55.184 54.840 -0.242 0.000 0.909 499 L CB 0.285 41.985 42.059 -0.598 0.000 1.277 499 L HN 0.003 nan 8.230 nan 0.000 0.510 500 V N 3.890 123.765 119.914 -0.064 0.000 2.276 500 V HA 0.305 4.426 4.120 0.001 0.000 0.249 500 V C 0.021 176.150 176.094 0.058 0.000 1.160 500 V CA -0.180 62.151 62.300 0.051 0.000 1.042 500 V CB -1.231 30.678 31.823 0.144 0.000 1.224 500 V HN 0.582 nan 8.190 nan 0.000 0.496 501 N N 3.727 122.440 118.700 0.021 0.000 3.261 501 N HA 0.368 5.109 4.740 0.001 0.000 0.248 501 N C -2.891 172.535 175.510 -0.140 0.000 1.498 501 N CA -1.321 51.714 53.050 -0.025 0.000 0.884 501 N CB 1.954 40.488 38.487 0.079 0.000 1.428 501 N HN -0.010 nan 8.380 nan 0.000 0.517 502 P HA 0.086 nan 4.420 nan 0.000 0.227 502 P C 0.674 177.730 177.300 -0.406 0.000 1.161 502 P CA 0.941 63.776 63.100 -0.442 0.000 0.788 502 P CB -0.124 31.213 31.700 -0.604 0.000 0.822 503 Y N -0.639 119.651 120.300 -0.016 0.000 2.286 503 Y HA -0.078 4.473 4.550 0.001 0.000 0.293 503 Y C 2.430 178.299 175.900 -0.052 0.000 1.124 503 Y CA 0.494 58.577 58.100 -0.029 0.000 1.178 503 Y CB -1.648 36.795 38.460 -0.029 0.000 1.010 503 Y HN -0.265 nan 8.280 nan 0.000 0.536 504 V N -0.029 119.918 119.914 0.055 0.000 2.343 504 V HA -0.306 3.815 4.120 0.001 0.000 0.247 504 V C 2.506 178.547 176.094 -0.088 0.000 1.051 504 V CA 1.764 64.049 62.300 -0.025 0.000 1.036 504 V CB -1.332 30.460 31.823 -0.051 0.000 0.654 504 V HN 0.446 nan 8.190 nan 0.000 0.451 505 A N -0.016 122.756 122.820 -0.079 0.000 1.930 505 A HA -0.014 4.306 4.320 0.001 0.000 0.217 505 A C 2.429 179.972 177.584 -0.069 0.000 1.175 505 A CA 1.784 53.775 52.037 -0.077 0.000 0.627 505 A CB -0.717 18.290 19.000 0.012 0.000 0.815 505 A HN 0.547 nan 8.150 nan 0.000 0.443 506 A N 0.080 122.885 122.820 -0.024 0.000 1.933 506 A HA -0.191 4.129 4.320 0.001 0.000 0.218 506 A C 1.877 179.459 177.584 -0.003 0.000 1.175 506 A CA 1.722 53.768 52.037 0.015 0.000 0.628 506 A CB -0.540 18.496 19.000 0.060 0.000 0.814 506 A HN 0.640 nan 8.150 nan 0.000 0.444 507 E N -0.464 119.723 120.200 -0.022 0.000 2.153 507 E HA -0.139 4.212 4.350 0.001 0.000 0.194 507 E C 1.814 178.342 176.600 -0.121 0.000 0.988 507 E CA 0.840 57.211 56.400 -0.049 0.000 0.811 507 E CB -0.104 29.572 29.700 -0.039 0.000 0.746 507 E HN 0.436 nan 8.360 nan 0.000 0.466 508 R N -0.241 120.104 120.500 -0.257 0.000 2.313 508 R HA 0.060 4.401 4.340 0.001 0.000 0.199 508 R C 1.209 177.338 176.300 -0.284 0.000 0.958 508 R CA 0.765 56.614 56.100 -0.419 0.000 1.047 508 R CB 0.202 29.881 30.300 -1.035 0.000 0.955 508 R HN 0.300 nan 8.270 nan 0.000 0.481 509 G N 0.899 109.632 108.800 -0.112 0.000 2.148 509 G HA2 -0.333 3.627 3.960 0.001 0.000 0.254 509 G HA3 -0.333 3.627 3.960 0.001 0.000 0.254 509 G C 0.690 175.708 174.900 0.197 0.000 0.981 509 G CA 0.425 45.551 45.100 0.043 0.000 0.670 509 G HN 0.515 nan 8.290 nan 0.000 0.528 510 Y N -0.552 119.787 120.300 0.064 0.000 2.314 510 Y HA 0.150 4.700 4.550 0.001 0.000 0.293 510 Y C 1.918 177.874 175.900 0.093 0.000 1.129 510 Y CA 0.871 59.030 58.100 0.099 0.000 1.201 510 Y CB 0.298 38.834 38.460 0.128 0.000 0.999 510 Y HN 0.523 nan 8.280 nan 0.000 0.541 511 V N -1.243 118.792 119.914 0.203 0.000 2.459 511 V HA 0.632 4.752 4.120 0.001 0.000 0.295 511 V C 0.701 176.852 176.094 0.094 0.000 1.029 511 V CA -0.243 62.130 62.300 0.123 0.000 0.874 511 V CB 1.389 33.253 31.823 0.068 0.000 0.985 511 V HN 0.206 nan 8.190 nan 0.000 0.438 512 G N 3.733 112.589 108.800 0.093 0.000 2.464 512 G HA2 0.467 4.428 3.960 0.001 0.000 0.217 512 G HA3 0.467 4.428 3.960 0.001 0.000 0.217 512 G C 0.551 175.502 174.900 0.085 0.000 1.138 512 G CA 0.586 45.743 45.100 0.094 0.000 0.793 512 G HN 1.692 nan 8.290 nan 0.000 0.539 513 A N -0.439 122.410 122.820 0.050 0.000 2.465 513 A HA 0.589 4.910 4.320 0.001 0.000 0.292 513 A C -1.185 176.372 177.584 -0.046 0.000 1.041 513 A CA -0.436 51.608 52.037 0.013 0.000 0.718 513 A CB 1.756 20.755 19.000 -0.001 0.000 1.266 513 A HN 0.288 nan 8.150 nan 0.000 0.403 514 V N 3.830 123.732 119.914 -0.020 0.000 2.406 514 V HA 0.571 4.691 4.120 0.001 0.000 0.272 514 V C 0.172 176.228 176.094 -0.063 0.000 1.043 514 V CA -0.015 62.261 62.300 -0.040 0.000 0.915 514 V CB 0.424 32.224 31.823 -0.037 0.000 0.988 514 V HN 0.821 nan 8.190 nan 0.000 0.466 515 I N 2.660 123.169 120.570 -0.103 0.000 2.865 515 I HA 0.714 4.884 4.170 0.001 0.000 0.302 515 I C -2.961 172.992 176.117 -0.274 0.000 1.140 515 I CA -3.016 58.159 61.300 -0.209 0.000 1.021 515 I CB 2.559 40.331 38.000 -0.378 0.000 1.233 515 I HN 0.307 nan 8.210 nan 0.000 0.427 516 P HA 0.180 nan 4.420 nan 0.000 0.264 516 P C -2.176 174.773 177.300 -0.585 0.000 1.193 516 P CA -0.777 62.010 63.100 -0.522 0.000 0.763 516 P CB 0.148 31.411 31.700 -0.728 0.000 0.810 517 P HA -0.273 nan 4.420 nan 0.000 0.218 517 P C 1.358 178.303 177.300 -0.593 0.000 1.152 517 P CA 1.963 64.164 63.100 -1.498 0.000 0.857 517 P CB -0.298 30.327 31.700 -1.791 0.000 0.787 518 S N -2.569 112.953 115.700 -0.296 0.000 2.447 518 S HA -0.168 4.303 4.470 0.001 0.000 0.233 518 S C 1.571 176.272 174.600 0.168 0.000 1.006 518 S CA 1.010 59.191 58.200 -0.031 0.000 0.957 518 S CB -1.395 61.821 63.200 0.027 0.000 0.773 518 S HN 0.241 nan 8.310 nan 0.000 0.507 519 H N 1.711 120.770 119.070 -0.019 0.000 2.555 519 H HA 0.212 4.769 4.556 0.001 0.000 0.269 519 H C 2.038 177.510 175.328 0.240 0.000 0.988 519 H CA 0.863 56.994 56.048 0.137 0.000 1.178 519 H CB -0.875 29.011 29.762 0.207 0.000 1.373 519 H HN 0.410 nan 8.280 nan 0.000 0.588 520 T N 0.126 114.853 114.554 0.289 0.000 2.652 520 T HA -0.231 4.120 4.350 0.001 0.000 0.267 520 T C 2.101 176.969 174.700 0.279 0.000 1.039 520 T CA 1.614 63.904 62.100 0.317 0.000 1.153 520 T CB -0.018 69.098 68.868 0.414 0.000 0.863 520 T HN 0.376 nan 8.240 nan 0.000 0.428 521 R N 0.685 121.310 120.500 0.209 0.000 2.096 521 R HA -0.133 4.208 4.340 0.001 0.000 0.240 521 R C 2.687 179.072 176.300 0.142 0.000 1.139 521 R CA 1.900 58.093 56.100 0.156 0.000 0.952 521 R CB -0.830 29.539 30.300 0.115 0.000 0.854 521 R HN 0.469 nan 8.270 nan 0.000 0.436 522 G N -0.648 108.233 108.800 0.134 0.000 2.421 522 G HA2 -0.279 3.682 3.960 0.001 0.000 0.216 522 G HA3 -0.279 3.682 3.960 0.001 0.000 0.216 522 G C 1.109 176.050 174.900 0.069 0.000 1.171 522 G CA 0.772 45.910 45.100 0.064 0.000 0.775 522 G HN 0.363 nan 8.290 nan 0.000 0.543 523 Y N 0.651 120.997 120.300 0.076 0.000 2.128 523 Y HA -0.055 4.496 4.550 0.001 0.000 0.284 523 Y C 2.792 178.741 175.900 0.081 0.000 1.154 523 Y CA 1.280 59.433 58.100 0.088 0.000 1.149 523 Y CB -0.151 38.382 38.460 0.123 0.000 0.976 523 Y HN 0.119 nan 8.280 nan 0.000 0.505 524 I N -0.942 119.780 120.570 0.253 0.000 2.286 524 I HA -0.265 3.905 4.170 0.001 0.000 0.248 524 I C 2.628 178.816 176.117 0.119 0.000 1.115 524 I CA 1.337 62.739 61.300 0.171 0.000 1.392 524 I CB -0.900 37.189 38.000 0.149 0.000 1.065 524 I HN 0.284 nan 8.210 nan 0.000 0.418 525 G N 0.676 109.536 108.800 0.099 0.000 2.446 525 G HA2 -0.320 3.641 3.960 0.001 0.000 0.217 525 G HA3 -0.320 3.641 3.960 0.001 0.000 0.217 525 G C 1.779 176.705 174.900 0.042 0.000 1.168 525 G CA 1.620 46.758 45.100 0.064 0.000 0.771 525 G HN 0.456 nan 8.290 nan 0.000 0.551 526 T N -0.770 113.796 114.554 0.021 0.000 2.821 526 T HA 0.213 4.564 4.350 0.001 0.000 0.267 526 T C 2.562 177.277 174.700 0.025 0.000 1.046 526 T CA 1.780 63.877 62.100 -0.004 0.000 1.139 526 T CB -0.372 68.454 68.868 -0.069 0.000 0.871 526 T HN 0.352 nan 8.240 nan 0.000 0.454 527 A N 1.679 124.534 122.820 0.059 0.000 1.902 527 A HA 0.189 4.509 4.320 0.001 0.000 0.217 527 A C 2.481 180.102 177.584 0.062 0.000 1.181 527 A CA 1.335 53.417 52.037 0.075 0.000 0.623 527 A CB -0.922 18.146 19.000 0.114 0.000 0.818 527 A HN 0.552 nan 8.150 nan 0.000 0.443 528 L N -0.987 120.275 121.223 0.064 0.000 2.046 528 L HA -0.196 4.145 4.340 0.001 0.000 0.208 528 L C 2.838 179.734 176.870 0.043 0.000 1.077 528 L CA 1.796 56.670 54.840 0.057 0.000 0.747 528 L CB -0.491 41.607 42.059 0.064 0.000 0.896 528 L HN 0.475 nan 8.230 nan 0.000 0.432 529 R N 0.446 120.968 120.500 0.037 0.000 2.066 529 R HA -0.196 4.145 4.340 0.001 0.000 0.232 529 R C 2.365 178.679 176.300 0.024 0.000 1.131 529 R CA 1.485 57.601 56.100 0.027 0.000 0.955 529 R CB -0.321 29.991 30.300 0.020 0.000 0.851 529 R HN 0.211 nan 8.270 nan 0.000 0.432 530 L N 1.175 122.413 121.223 0.025 0.000 2.079 530 L HA -0.106 4.235 4.340 0.001 0.000 0.210 530 L C 1.710 178.594 176.870 0.025 0.000 1.081 530 L CA 1.661 56.515 54.840 0.024 0.000 0.752 530 L CB -0.097 41.979 42.059 0.028 0.000 0.896 530 L HN 0.220 nan 8.230 nan 0.000 0.433 531 L N -0.400 120.840 121.223 0.029 0.000 2.628 531 L HA 0.070 4.411 4.340 0.001 0.000 0.229 531 L C 2.000 178.883 176.870 0.021 0.000 1.137 531 L CA 0.193 55.049 54.840 0.026 0.000 0.909 531 L CB -0.417 41.660 42.059 0.031 0.000 1.137 531 L HN 0.402 nan 8.230 nan 0.000 0.470 532 E N 0.541 120.754 120.200 0.022 0.000 2.418 532 E HA -0.158 4.193 4.350 0.001 0.000 0.197 532 E C 1.219 177.828 176.600 0.015 0.000 1.026 532 E CA 0.614 57.026 56.400 0.021 0.000 0.862 532 E CB 0.124 29.838 29.700 0.023 0.000 0.799 532 E HN 0.379 nan 8.360 nan 0.000 0.518 533 R N 0.954 121.462 120.500 0.012 0.000 2.727 533 R HA 0.201 4.542 4.340 0.001 0.000 0.410 533 R C -0.165 176.138 176.300 0.006 0.000 1.101 533 R CA -0.280 55.826 56.100 0.009 0.000 1.045 533 R CB 0.710 31.015 30.300 0.009 0.000 1.380 533 R HN 0.006 nan 8.270 nan 0.000 0.587 542 K N 0.463 120.802 120.400 -0.101 0.000 2.089 542 K HA -0.211 4.109 4.320 0.001 0.000 0.210 542 K C -0.126 176.480 176.600 0.010 0.000 1.048 542 K CA 2.535 58.769 56.287 -0.089 0.000 0.926 542 K CB -0.388 31.968 32.500 -0.241 0.000 0.714 542 K HN 0.892 nan 8.250 nan 0.000 0.448 543 H N -5.751 113.329 119.070 0.016 0.000 2.915 543 H HA 0.306 4.862 4.556 0.001 0.000 0.263 543 H C -0.280 175.077 175.328 0.048 0.000 1.373 543 H CA -0.556 55.508 56.048 0.027 0.000 1.354 543 H CB 0.062 29.831 29.762 0.012 0.000 1.866 543 H HN 0.042 nan 8.280 nan 0.000 0.479 544 G N -0.661 108.289 108.800 0.250 0.000 2.494 544 G HA2 0.254 4.215 3.960 0.001 0.000 0.270 544 G HA3 0.254 4.215 3.960 0.001 0.000 0.270 544 G C -0.448 174.587 174.900 0.225 0.000 1.423 544 G CA -0.473 44.776 45.100 0.248 0.000 1.055 544 G HN 0.901 nan 8.290 nan 0.000 0.536 545 N N -0.908 117.863 118.700 0.119 0.000 2.646 545 N HA 0.173 4.914 4.740 0.001 0.000 0.303 545 N C -0.176 175.219 175.510 -0.190 0.000 1.921 545 N CA -0.460 52.592 53.050 0.003 0.000 0.872 545 N CB 1.051 39.565 38.487 0.044 0.000 1.327 545 N HN 0.290 nan 8.380 nan 0.000 0.492 546 V N 2.196 121.752 119.914 -0.596 0.000 2.872 546 V HA -0.008 4.113 4.120 0.001 0.000 0.302 546 V C -1.957 173.941 176.094 -0.328 0.000 1.166 546 V CA -0.397 61.375 62.300 -0.881 0.000 1.298 546 V CB 0.482 31.682 31.823 -1.039 0.000 0.894 546 V HN 0.351 nan 8.190 nan 0.000 0.509 547 P HA 0.255 nan 4.420 nan 0.000 0.269 547 P C -0.828 176.412 177.300 -0.101 0.000 1.209 547 P CA -0.153 62.888 63.100 -0.098 0.000 0.776 547 P CB 0.518 32.190 31.700 -0.045 0.000 0.876 548 L N 0.000 121.180 121.223 -0.072 0.000 2.949 548 L HA 0.000 4.341 4.340 0.001 0.000 0.249 548 L CA 0.000 54.802 54.840 -0.063 0.000 0.813 548 L CB 0.000 42.017 42.059 -0.071 0.000 0.961 548 L HN 0.000 nan 8.230 nan 0.000 0.502