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 1mt5_1_I DATA FIRST_RESID 37 DATA SEQUENCE ARGAATRARQ KQRASLETMD KAVQRFRLQN PDLDSEALLT LPLLQLVQKL DATA SEQUENCE QSGELSPEAV FFTYLGKAWE VNKGTNCVTS YLTDCETQLS QAPRQGLLYG DATA SEQUENCE VPVSLKECFS YKGHDSTLGL SLNEGMPSES DCVVVQVLKL QGAVPFVHTN DATA SEQUENCE VPQSMLSFDC SNPLFGQTMN PWKSSKSPGG SSGGEGALIG SGGSPLGLGT DATA SEQUENCE DIGGSIRFPS AFCGICGLKP TGNRLSKSGL KGCVYGQTAV QLSLGPMARD DATA SEQUENCE VESLALCLKA LLCEHLFTLD PTVPPLPFRE EVYRSSRPLR VGYYETDNYT DATA SEQUENCE MPSPAMRRAL IETKQRLEAA GHTLIPFLPN NIPYALEVLS AGGLFSDGGR DATA SEQUENCE SFLQNFKGDF VDPCLGDLIL ILRLPSWFKR LLSLLLKPLF PRLAAFLNSM DATA SEQUENCE RPRSAEKLWK LQHEIEMYRQ SVIAQWKAMN LDVLLTPMLG PALDLNTPGR DATA SEQUENCE ATGAISYTVL YNCLDFPAGV VPVTTVTAED DAQMELYKGY FGDIWDIILK DATA SEQUENCE KAMKNSVGLP VAVQCVALPW QEELCLRFMR EVEQLMT 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.587 177.584 0.006 0.000 1.274 37 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 37 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 38 R N 0.861 121.367 120.500 0.011 0.000 2.276 38 R HA 0.355 4.695 4.340 -0.000 0.000 0.203 38 R C 2.091 178.500 176.300 0.183 0.000 1.017 38 R CA 1.697 57.843 56.100 0.076 0.000 1.010 38 R CB -1.529 28.808 30.300 0.062 0.000 0.900 38 R HN 1.279 nan 8.270 nan 0.000 0.469 39 G N -0.048 108.852 108.800 0.167 0.000 2.535 39 G HA2 0.120 4.079 3.960 -0.000 0.000 0.218 39 G HA3 0.120 4.079 3.960 -0.000 0.000 0.218 39 G C 1.346 176.277 174.900 0.051 0.000 1.122 39 G CA 0.555 45.734 45.100 0.132 0.000 0.769 39 G HN 0.797 nan 8.290 nan 0.000 0.549 40 A N 0.549 123.388 122.820 0.031 0.000 2.426 40 A HA 0.634 4.954 4.320 -0.000 0.000 0.247 40 A C 2.089 179.655 177.584 -0.030 0.000 1.389 40 A CA 0.890 52.927 52.037 -0.001 0.000 1.129 40 A CB -0.460 18.538 19.000 -0.003 0.000 0.928 40 A HN 0.475 nan 8.150 nan 0.000 0.557 41 A N -0.159 122.641 122.820 -0.033 0.000 2.016 41 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 41 A C 2.304 179.813 177.584 -0.125 0.000 1.162 41 A CA 1.842 53.812 52.037 -0.112 0.000 0.662 41 A CB -0.818 18.116 19.000 -0.110 0.000 0.812 41 A HN 0.746 nan 8.150 nan 0.000 0.450 42 T N -2.470 112.044 114.554 -0.066 0.000 2.962 42 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 42 T C 1.881 176.562 174.700 -0.032 0.000 1.088 42 T CA 1.220 63.293 62.100 -0.045 0.000 1.127 42 T CB -0.273 68.583 68.868 -0.020 0.000 0.883 42 T HN 0.441 nan 8.240 nan 0.000 0.493 43 R N 0.903 121.383 120.500 -0.034 0.000 2.120 43 R HA 0.159 4.499 4.340 -0.000 0.000 0.234 43 R C 2.609 178.902 176.300 -0.013 0.000 1.123 43 R CA 1.242 57.334 56.100 -0.014 0.000 0.975 43 R CB -0.506 29.787 30.300 -0.012 0.000 0.866 43 R HN 0.539 nan 8.270 nan 0.000 0.446 44 A N -0.023 122.743 122.820 -0.090 0.000 1.935 44 A HA -0.028 4.291 4.320 -0.000 0.000 0.214 44 A C 2.003 179.592 177.584 0.008 0.000 1.178 44 A CA 0.677 52.633 52.037 -0.135 0.000 0.640 44 A CB -0.163 18.469 19.000 -0.612 0.000 0.825 44 A HN 0.197 nan 8.150 nan 0.000 0.447 45 R N 0.018 120.491 120.500 -0.044 0.000 2.091 45 R HA -0.208 4.132 4.340 -0.000 0.000 0.238 45 R C 2.421 178.777 176.300 0.093 0.000 1.136 45 R CA 1.990 58.122 56.100 0.053 0.000 0.959 45 R CB -0.280 30.021 30.300 0.001 0.000 0.856 45 R HN 0.839 nan 8.270 nan 0.000 0.437 46 Q N 0.012 119.851 119.800 0.065 0.000 2.389 46 Q HA -0.020 4.320 4.340 -0.000 0.000 0.204 46 Q C 1.508 177.568 176.000 0.100 0.000 0.944 46 Q CA 1.155 57.001 55.803 0.072 0.000 0.908 46 Q CB 0.124 28.891 28.738 0.048 0.000 1.002 46 Q HN 0.092 nan 8.270 nan 0.000 0.493 47 K N 0.307 120.784 120.400 0.128 0.000 2.103 47 K HA -0.117 4.202 4.320 -0.000 0.000 0.204 47 K C 2.173 178.890 176.600 0.196 0.000 1.052 47 K CA 1.342 57.727 56.287 0.164 0.000 0.945 47 K CB 0.066 32.682 32.500 0.194 0.000 0.722 47 K HN 0.391 nan 8.250 nan 0.000 0.443 48 Q N 0.304 120.248 119.800 0.241 0.000 2.083 48 Q HA -0.168 4.172 4.340 -0.000 0.000 0.198 48 Q C 2.316 178.403 176.000 0.145 0.000 0.969 48 Q CA 1.472 57.402 55.803 0.212 0.000 0.838 48 Q CB 0.077 28.995 28.738 0.300 0.000 0.900 48 Q HN 0.209 nan 8.270 nan 0.000 0.436 49 R N 0.403 120.982 120.500 0.131 0.000 2.081 49 R HA -0.012 4.327 4.340 -0.000 0.000 0.235 49 R C 2.165 178.533 176.300 0.113 0.000 1.131 49 R CA 1.630 57.795 56.100 0.107 0.000 0.960 49 R CB -1.550 28.802 30.300 0.086 0.000 0.856 49 R HN 0.503 nan 8.270 nan 0.000 0.436 50 A N 0.138 123.025 122.820 0.112 0.000 1.877 50 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 50 A C 2.620 180.278 177.584 0.124 0.000 1.186 50 A CA 1.864 53.966 52.037 0.108 0.000 0.620 50 A CB -0.710 18.351 19.000 0.102 0.000 0.822 50 A HN 0.500 nan 8.150 nan 0.000 0.443 51 S N -0.659 115.132 115.700 0.152 0.000 2.374 51 S HA -0.158 4.312 4.470 -0.000 0.000 0.227 51 S C 1.774 176.457 174.600 0.137 0.000 1.037 51 S CA 1.685 59.995 58.200 0.183 0.000 1.024 51 S CB -0.360 62.961 63.200 0.203 0.000 0.861 51 S HN 0.393 nan 8.310 nan 0.000 0.456 52 L N 1.431 122.743 121.223 0.148 0.000 2.217 52 L HA 0.022 4.362 4.340 -0.000 0.000 0.211 52 L C 2.691 179.713 176.870 0.255 0.000 1.107 52 L CA 1.894 56.864 54.840 0.217 0.000 0.783 52 L CB -0.898 41.273 42.059 0.186 0.000 0.919 52 L HN 0.459 nan 8.230 nan 0.000 0.442 53 E N -1.470 118.819 120.200 0.148 0.000 2.170 53 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 53 E C 2.092 178.686 176.600 -0.011 0.000 0.981 53 E CA 1.263 57.715 56.400 0.087 0.000 0.830 53 E CB -1.122 28.627 29.700 0.081 0.000 0.775 53 E HN 0.512 nan 8.360 nan 0.000 0.470 54 T N 0.659 115.205 114.554 -0.013 0.000 2.788 54 T HA -0.078 4.272 4.350 -0.000 0.000 0.268 54 T C 2.180 176.741 174.700 -0.231 0.000 1.044 54 T CA 1.423 63.483 62.100 -0.068 0.000 1.139 54 T CB -0.237 68.640 68.868 0.015 0.000 0.867 54 T HN 0.341 nan 8.240 nan 0.000 0.454 55 M N 1.071 120.478 119.600 -0.322 0.000 2.059 55 M HA -0.113 4.367 4.480 -0.000 0.000 0.259 55 M C 2.367 178.445 176.300 -0.369 0.000 1.072 55 M CA 1.840 56.888 55.300 -0.421 0.000 1.117 55 M CB -0.533 31.949 32.600 -0.196 0.000 1.320 55 M HN 0.163 nan 8.290 nan 0.000 0.408 56 D N 0.507 120.618 120.400 -0.483 0.000 2.117 56 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 56 D C 2.095 178.130 176.300 -0.441 0.000 0.987 56 D CA 2.422 55.944 54.000 -0.797 0.000 0.829 56 D CB 0.121 40.388 40.800 -0.889 0.000 0.961 56 D HN 0.234 nan 8.370 nan 0.000 0.460 57 K N 0.274 120.519 120.400 -0.259 0.000 2.097 57 K HA 0.139 4.459 4.320 -0.000 0.000 0.206 57 K C 2.231 178.751 176.600 -0.133 0.000 1.049 57 K CA 1.575 57.766 56.287 -0.161 0.000 0.933 57 K CB -1.149 31.296 32.500 -0.092 0.000 0.717 57 K HN 0.301 nan 8.250 nan 0.000 0.442 58 A N 0.953 123.705 122.820 -0.114 0.000 2.016 58 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 58 A C 2.549 180.086 177.584 -0.079 0.000 1.162 58 A CA 1.783 53.795 52.037 -0.041 0.000 0.662 58 A CB -0.557 18.512 19.000 0.116 0.000 0.812 58 A HN 0.941 nan 8.150 nan 0.000 0.450 59 V N -2.488 117.368 119.914 -0.096 0.000 2.591 59 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 59 V C 1.958 178.007 176.094 -0.075 0.000 1.053 59 V CA 2.032 64.293 62.300 -0.065 0.000 1.068 59 V CB -0.857 30.902 31.823 -0.106 0.000 0.689 59 V HN 0.567 nan 8.190 nan 0.000 0.462 60 Q N 0.695 120.408 119.800 -0.145 0.000 2.083 60 Q HA -0.072 4.267 4.340 -0.000 0.000 0.198 60 Q C 2.664 178.603 176.000 -0.102 0.000 0.969 60 Q CA 2.223 57.950 55.803 -0.128 0.000 0.838 60 Q CB -0.309 28.334 28.738 -0.158 0.000 0.900 60 Q HN 0.787 nan 8.270 nan 0.000 0.436 61 R N 0.137 120.572 120.500 -0.108 0.000 2.285 61 R HA -0.116 4.223 4.340 -0.000 0.000 0.213 61 R C 1.488 177.713 176.300 -0.125 0.000 1.068 61 R CA 1.234 57.268 56.100 -0.109 0.000 1.004 61 R CB -1.175 29.066 30.300 -0.099 0.000 0.873 61 R HN 0.333 nan 8.270 nan 0.000 0.467 62 F N 0.579 120.340 119.950 -0.315 0.000 2.317 62 F HA 0.122 4.649 4.527 -0.000 0.000 0.290 62 F C 2.904 178.591 175.800 -0.188 0.000 1.075 62 F CA 1.510 59.310 58.000 -0.333 0.000 1.380 62 F CB 0.034 38.711 39.000 -0.540 0.000 1.093 62 F HN 0.291 nan 8.300 nan 0.000 0.524 63 R N 0.909 121.393 120.500 -0.027 0.000 2.189 63 R HA 0.128 4.468 4.340 -0.000 0.000 0.218 63 R C 2.140 178.358 176.300 -0.136 0.000 1.074 63 R CA 1.387 57.446 56.100 -0.069 0.000 0.991 63 R CB -2.130 28.168 30.300 -0.004 0.000 0.883 63 R HN 0.411 nan 8.270 nan 0.000 0.457 64 L N -0.624 120.516 121.223 -0.138 0.000 1.948 64 L HA 0.049 4.389 4.340 -0.000 0.000 0.212 64 L C 2.851 179.606 176.870 -0.192 0.000 1.074 64 L CA 2.900 57.657 54.840 -0.139 0.000 0.753 64 L CB -1.889 40.102 42.059 -0.114 0.000 0.888 64 L HN 0.656 nan 8.230 nan 0.000 0.432 65 Q N -0.672 118.980 119.800 -0.248 0.000 2.431 65 Q HA 0.163 4.503 4.340 -0.000 0.000 0.210 65 Q C 0.936 176.694 176.000 -0.404 0.000 0.958 65 Q CA 0.980 56.620 55.803 -0.272 0.000 0.957 65 Q CB -0.852 27.750 28.738 -0.227 0.000 1.007 65 Q HN 0.917 nan 8.270 nan 0.000 0.511 66 N N -0.402 118.003 118.700 -0.493 0.000 2.651 66 N HA 0.181 4.921 4.740 -0.000 0.000 0.277 66 N C -2.382 172.954 175.510 -0.290 0.000 1.787 66 N CA -0.648 52.101 53.050 -0.501 0.000 0.818 66 N CB 1.737 39.622 38.487 -1.004 0.000 1.316 66 N HN 0.192 nan 8.380 nan 0.000 0.503 67 P HA 0.130 nan 4.420 nan 0.000 0.245 67 P C 0.459 177.711 177.300 -0.080 0.000 1.206 67 P CA 0.822 63.849 63.100 -0.122 0.000 0.781 67 P CB 0.144 31.782 31.700 -0.103 0.000 0.994 68 D N -0.448 119.906 120.400 -0.077 0.000 2.360 68 D HA 0.320 4.960 4.640 -0.000 0.000 0.210 68 D C 1.139 177.420 176.300 -0.031 0.000 1.047 68 D CA 0.210 54.181 54.000 -0.048 0.000 0.854 68 D CB -0.493 40.280 40.800 -0.044 0.000 0.936 68 D HN 0.262 nan 8.370 nan 0.000 0.514 69 L N 0.823 122.029 121.223 -0.029 0.000 2.453 69 L HA 0.552 4.892 4.340 -0.000 0.000 0.272 69 L C 0.345 177.220 176.870 0.008 0.000 1.182 69 L CA -0.232 54.611 54.840 0.005 0.000 0.858 69 L CB 0.478 42.564 42.059 0.045 0.000 1.120 69 L HN 0.213 nan 8.230 nan 0.000 0.474 70 D N 1.377 121.781 120.400 0.006 0.000 2.380 70 D HA 0.384 5.023 4.640 -0.000 0.000 0.230 70 D C 1.256 177.547 176.300 -0.015 0.000 1.154 70 D CA 0.540 54.537 54.000 -0.005 0.000 0.859 70 D CB 1.138 41.934 40.800 -0.007 0.000 1.045 70 D HN 0.604 nan 8.370 nan 0.000 0.495 71 S N 2.596 118.283 115.700 -0.022 0.000 2.371 71 S HA -0.117 4.352 4.470 -0.000 0.000 0.224 71 S C 2.133 176.689 174.600 -0.073 0.000 1.029 71 S CA 1.069 59.238 58.200 -0.051 0.000 0.978 71 S CB -0.476 62.698 63.200 -0.043 0.000 0.833 71 S HN 0.637 nan 8.310 nan 0.000 0.466 72 E N 1.517 121.688 120.200 -0.048 0.000 2.085 72 E HA 0.059 4.409 4.350 -0.000 0.000 0.194 72 E C 1.760 178.333 176.600 -0.046 0.000 0.994 72 E CA 1.529 57.902 56.400 -0.046 0.000 0.801 72 E CB -0.895 28.788 29.700 -0.029 0.000 0.743 72 E HN 0.730 nan 8.360 nan 0.000 0.453 73 A N -0.802 121.996 122.820 -0.037 0.000 2.500 73 A HA 0.526 4.846 4.320 -0.000 0.000 0.267 73 A C 1.758 179.322 177.584 -0.033 0.000 1.290 73 A CA 0.175 52.196 52.037 -0.027 0.000 0.928 73 A CB 0.138 19.131 19.000 -0.012 0.000 1.066 73 A HN 0.371 nan 8.150 nan 0.000 0.516 74 L N -0.614 120.572 121.223 -0.061 0.000 2.084 74 L HA 0.124 4.464 4.340 -0.000 0.000 0.202 74 L C 1.920 178.703 176.870 -0.145 0.000 1.074 74 L CA 1.886 56.673 54.840 -0.088 0.000 0.757 74 L CB -0.976 41.014 42.059 -0.115 0.000 0.918 74 L HN 0.476 nan 8.230 nan 0.000 0.444 75 L N -0.288 120.806 121.223 -0.216 0.000 2.395 75 L HA -0.071 4.269 4.340 -0.000 0.000 0.218 75 L C 1.801 178.625 176.870 -0.077 0.000 1.130 75 L CA 1.180 55.843 54.840 -0.295 0.000 0.826 75 L CB -0.660 41.200 42.059 -0.332 0.000 0.941 75 L HN 0.368 nan 8.230 nan 0.000 0.451 76 T N -3.053 111.477 114.554 -0.041 0.000 3.206 76 T HA 0.225 4.575 4.350 -0.000 0.000 0.253 76 T C 0.361 175.074 174.700 0.022 0.000 1.042 76 T CA -0.357 61.746 62.100 0.005 0.000 0.931 76 T CB -0.151 68.717 68.868 -0.000 0.000 1.029 76 T HN -0.119 nan 8.240 nan 0.000 0.564 77 L N 3.461 124.699 121.223 0.025 0.000 2.418 77 L HA 0.401 4.741 4.340 -0.000 0.000 0.274 77 L C -2.097 174.816 176.870 0.071 0.000 1.135 77 L CA -1.992 52.875 54.840 0.045 0.000 0.870 77 L CB 0.392 42.478 42.059 0.045 0.000 1.154 77 L HN 0.063 nan 8.230 nan 0.000 0.462 78 P HA -0.032 nan 4.420 nan 0.000 0.269 78 P C 0.705 178.040 177.300 0.059 0.000 1.217 78 P CA -0.441 62.695 63.100 0.060 0.000 0.783 78 P CB 0.545 32.273 31.700 0.048 0.000 0.898 79 L N 2.018 123.269 121.223 0.047 0.000 2.012 79 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 79 L C 1.757 178.643 176.870 0.027 0.000 1.073 79 L CA 2.068 56.926 54.840 0.030 0.000 0.748 79 L CB -1.080 40.980 42.059 0.001 0.000 0.891 79 L HN 0.253 nan 8.230 nan 0.000 0.431 80 L N -1.161 120.078 121.223 0.028 0.000 2.156 80 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 80 L C 2.453 179.344 176.870 0.034 0.000 1.095 80 L CA 1.294 56.151 54.840 0.028 0.000 0.770 80 L CB -2.018 40.060 42.059 0.033 0.000 0.914 80 L HN 0.447 nan 8.230 nan 0.000 0.439 81 Q N -0.287 119.536 119.800 0.039 0.000 2.172 81 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 81 Q C 2.358 178.385 176.000 0.046 0.000 0.964 81 Q CA 0.915 56.742 55.803 0.040 0.000 0.855 81 Q CB 0.016 28.778 28.738 0.039 0.000 0.918 81 Q HN 0.356 nan 8.270 nan 0.000 0.444 82 L N 0.352 121.607 121.223 0.052 0.000 1.988 82 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 82 L C 2.404 179.306 176.870 0.053 0.000 1.071 82 L CA 1.374 56.251 54.840 0.062 0.000 0.744 82 L CB -0.616 41.494 42.059 0.085 0.000 0.893 82 L HN 0.140 nan 8.230 nan 0.000 0.433 83 V N -0.813 119.127 119.914 0.043 0.000 2.594 83 V HA -0.274 3.845 4.120 -0.000 0.000 0.253 83 V C 2.283 178.415 176.094 0.064 0.000 1.069 83 V CA 1.970 64.300 62.300 0.050 0.000 1.082 83 V CB -0.890 30.953 31.823 0.034 0.000 0.680 83 V HN 0.822 nan 8.190 nan 0.000 0.469 84 Q N 0.468 120.298 119.800 0.051 0.000 2.187 84 Q HA -0.059 4.281 4.340 -0.000 0.000 0.199 84 Q C 2.144 178.176 176.000 0.053 0.000 0.957 84 Q CA 1.689 57.521 55.803 0.048 0.000 0.857 84 Q CB -0.557 28.203 28.738 0.037 0.000 0.929 84 Q HN 0.581 nan 8.270 nan 0.000 0.453 85 K N -0.300 120.133 120.400 0.055 0.000 2.288 85 K HA 0.009 4.329 4.320 -0.000 0.000 0.201 85 K C 1.526 178.171 176.600 0.075 0.000 1.048 85 K CA 0.429 56.750 56.287 0.057 0.000 0.956 85 K CB 0.130 32.661 32.500 0.051 0.000 0.746 85 K HN 0.262 nan 8.250 nan 0.000 0.461 86 L N 0.813 122.092 121.223 0.093 0.000 2.095 86 L HA -0.093 4.247 4.340 -0.000 0.000 0.204 86 L C 2.384 179.369 176.870 0.191 0.000 1.080 86 L CA 1.587 56.515 54.840 0.147 0.000 0.759 86 L CB -0.932 41.213 42.059 0.143 0.000 0.914 86 L HN 0.134 nan 8.230 nan 0.000 0.439 87 Q N 0.163 120.044 119.800 0.134 0.000 2.079 87 Q HA -0.141 4.198 4.340 -0.000 0.000 0.200 87 Q C 2.421 178.440 176.000 0.032 0.000 0.974 87 Q CA 2.117 57.964 55.803 0.074 0.000 0.840 87 Q CB -0.156 28.611 28.738 0.048 0.000 0.898 87 Q HN 0.560 nan 8.270 nan 0.000 0.430 88 S N -1.853 113.872 115.700 0.041 0.000 2.428 88 S HA 0.114 4.584 4.470 -0.000 0.000 0.230 88 S C 1.448 176.071 174.600 0.038 0.000 1.014 88 S CA 0.817 59.035 58.200 0.030 0.000 0.957 88 S CB -0.218 63.000 63.200 0.029 0.000 0.784 88 S HN 0.704 nan 8.310 nan 0.000 0.499 89 G N 0.832 109.670 108.800 0.064 0.000 2.131 89 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.223 89 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.223 89 G C 0.361 175.301 174.900 0.066 0.000 0.990 89 G CA 0.369 45.515 45.100 0.076 0.000 0.671 89 G HN 0.519 nan 8.290 nan 0.000 0.521 90 E N -0.888 119.348 120.200 0.059 0.000 2.150 90 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 90 E C 0.886 177.521 176.600 0.059 0.000 0.985 90 E CA 0.576 57.007 56.400 0.051 0.000 0.814 90 E CB -0.004 29.722 29.700 0.043 0.000 0.752 90 E HN 0.616 nan 8.360 nan 0.000 0.466 91 L N 0.967 122.233 121.223 0.070 0.000 2.341 91 L HA 0.226 4.566 4.340 -0.000 0.000 0.278 91 L C 0.063 176.988 176.870 0.092 0.000 1.005 91 L CA -0.895 53.992 54.840 0.078 0.000 0.818 91 L CB 1.866 43.967 42.059 0.070 0.000 1.259 91 L HN -0.059 nan 8.230 nan 0.000 0.418 92 S N 1.714 117.475 115.700 0.102 0.000 2.576 92 S HA 0.253 4.722 4.470 -0.000 0.000 0.276 92 S C -1.933 172.712 174.600 0.074 0.000 1.339 92 S CA -0.951 57.313 58.200 0.107 0.000 1.039 92 S CB 0.952 64.230 63.200 0.128 0.000 0.902 92 S HN 0.439 nan 8.310 nan 0.000 0.516 93 P HA -0.026 nan 4.420 nan 0.000 0.222 93 P C 0.839 178.103 177.300 -0.060 0.000 1.147 93 P CA 0.919 63.960 63.100 -0.098 0.000 0.790 93 P CB 0.028 31.580 31.700 -0.246 0.000 0.780 94 E N -0.067 120.155 120.200 0.037 0.000 2.077 94 E HA -0.125 4.224 4.350 -0.000 0.000 0.193 94 E C 2.159 178.799 176.600 0.068 0.000 0.989 94 E CA 1.483 57.964 56.400 0.136 0.000 0.800 94 E CB -1.020 28.893 29.700 0.355 0.000 0.746 94 E HN 0.158 nan 8.360 nan 0.000 0.452 95 A N 0.709 123.630 122.820 0.167 0.000 1.930 95 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 95 A C 2.483 180.099 177.584 0.054 0.000 1.175 95 A CA 1.694 53.860 52.037 0.214 0.000 0.627 95 A CB -0.842 18.309 19.000 0.251 0.000 0.815 95 A HN 0.231 nan 8.150 nan 0.000 0.443 96 V N -3.478 116.455 119.914 0.032 0.000 2.453 96 V HA -0.110 4.010 4.120 -0.000 0.000 0.247 96 V C 2.267 178.362 176.094 0.002 0.000 1.048 96 V CA 1.720 64.039 62.300 0.031 0.000 1.049 96 V CB -1.268 30.597 31.823 0.071 0.000 0.672 96 V HN 0.419 nan 8.190 nan 0.000 0.457 97 F N 1.202 120.989 119.950 -0.271 0.000 2.075 97 F HA -0.071 4.456 4.527 -0.000 0.000 0.297 97 F C 2.050 177.543 175.800 -0.511 0.000 1.113 97 F CA 2.128 59.838 58.000 -0.483 0.000 1.218 97 F CB -0.286 38.299 39.000 -0.691 0.000 0.984 97 F HN 0.118 nan 8.300 nan 0.000 0.472 98 F N -0.134 119.568 119.950 -0.414 0.000 2.558 98 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 98 F C 2.273 177.816 175.800 -0.427 0.000 1.119 98 F CA 1.098 58.739 58.000 -0.598 0.000 1.451 98 F CB -0.566 37.780 39.000 -1.091 0.000 1.091 98 F HN -0.083 nan 8.300 nan 0.000 0.563 99 T N -1.205 113.244 114.554 -0.174 0.000 2.770 99 T HA -0.184 4.166 4.350 -0.000 0.000 0.263 99 T C 1.532 176.104 174.700 -0.214 0.000 1.039 99 T CA 1.259 63.273 62.100 -0.143 0.000 1.142 99 T CB -0.485 68.285 68.868 -0.162 0.000 0.868 99 T HN 0.147 nan 8.240 nan 0.000 0.435 100 Y N 1.134 121.267 120.300 -0.278 0.000 2.200 100 Y HA 0.110 4.660 4.550 -0.000 0.000 0.290 100 Y C 2.273 177.978 175.900 -0.324 0.000 1.137 100 Y CA 0.240 58.154 58.100 -0.311 0.000 1.163 100 Y CB -0.534 37.660 38.460 -0.445 0.000 0.988 100 Y HN 0.092 nan 8.280 nan 0.000 0.518 101 L N -0.866 120.123 121.223 -0.390 0.000 2.081 101 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 101 L C 2.402 179.253 176.870 -0.033 0.000 1.080 101 L CA 1.662 56.332 54.840 -0.283 0.000 0.754 101 L CB -1.039 40.683 42.059 -0.561 0.000 0.893 101 L HN 0.413 nan 8.230 nan 0.000 0.433 102 G N -0.277 108.497 108.800 -0.043 0.000 2.459 102 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.217 102 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.217 102 G C 1.620 176.605 174.900 0.142 0.000 1.183 102 G CA 0.937 46.061 45.100 0.039 0.000 0.776 102 G HN 0.180 nan 8.290 nan 0.000 0.552 103 K N 1.131 121.578 120.400 0.079 0.000 2.103 103 K HA 0.233 4.553 4.320 -0.000 0.000 0.204 103 K C 2.672 179.359 176.600 0.145 0.000 1.052 103 K CA 1.291 57.634 56.287 0.093 0.000 0.945 103 K CB -0.767 31.748 32.500 0.025 0.000 0.722 103 K HN 0.173 nan 8.250 nan 0.000 0.443 104 A N -0.542 122.397 122.820 0.200 0.000 1.978 104 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 104 A C 2.155 179.848 177.584 0.183 0.000 1.170 104 A CA 1.553 53.720 52.037 0.217 0.000 0.636 104 A CB -1.009 18.215 19.000 0.373 0.000 0.810 104 A HN 0.638 nan 8.150 nan 0.000 0.448 105 W N 0.380 121.696 121.300 0.027 0.000 2.409 105 W HA -0.062 4.598 4.660 -0.000 0.000 0.299 105 W C 1.969 178.485 176.519 -0.005 0.000 1.203 105 W CA 1.663 59.007 57.345 -0.001 0.000 1.298 105 W CB -0.010 29.439 29.460 -0.019 0.000 1.127 105 W HN 0.408 nan 8.180 nan 0.000 0.528 106 E N -0.359 119.958 120.200 0.195 0.000 2.150 106 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 106 E C 2.134 178.679 176.600 -0.091 0.000 0.985 106 E CA 2.015 58.444 56.400 0.048 0.000 0.814 106 E CB -0.160 29.628 29.700 0.148 0.000 0.752 106 E HN 0.292 nan 8.360 nan 0.000 0.466 107 V N -1.396 118.483 119.914 -0.058 0.000 3.052 107 V HA 0.042 4.162 4.120 -0.000 0.000 0.254 107 V C 1.706 177.733 176.094 -0.112 0.000 1.100 107 V CA 1.238 63.493 62.300 -0.075 0.000 1.112 107 V CB -0.307 31.495 31.823 -0.035 0.000 0.738 107 V HN 0.090 nan 8.190 nan 0.000 0.469 108 N N 1.255 119.864 118.700 -0.151 0.000 2.381 108 N HA -0.142 4.598 4.740 -0.000 0.000 0.182 108 N C 1.665 177.039 175.510 -0.227 0.000 1.025 108 N CA 1.258 54.201 53.050 -0.178 0.000 0.888 108 N CB -0.382 37.988 38.487 -0.194 0.000 0.965 108 N HN 0.530 nan 8.380 nan 0.000 0.438 109 K N -1.304 118.913 120.400 -0.305 0.000 2.209 109 K HA 0.062 4.382 4.320 -0.000 0.000 0.204 109 K C 1.422 177.924 176.600 -0.163 0.000 1.048 109 K CA 1.256 57.374 56.287 -0.280 0.000 0.940 109 K CB -0.146 32.148 32.500 -0.342 0.000 0.729 109 K HN 0.271 nan 8.250 nan 0.000 0.451 110 G N -1.765 106.957 108.800 -0.129 0.000 3.228 110 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.245 110 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.245 110 G C 1.028 175.890 174.900 -0.063 0.000 1.051 110 G CA 0.402 45.451 45.100 -0.086 0.000 0.809 110 G HN 0.387 nan 8.290 nan 0.000 0.531 111 T N -2.863 111.649 114.554 -0.069 0.000 2.999 111 T HA 0.119 4.468 4.350 -0.000 0.000 0.247 111 T C 0.969 175.646 174.700 -0.039 0.000 1.012 111 T CA 0.584 62.659 62.100 -0.042 0.000 1.048 111 T CB -0.065 68.784 68.868 -0.033 0.000 1.020 111 T HN 0.187 nan 8.240 nan 0.000 0.478 112 N N 0.723 119.386 118.700 -0.062 0.000 2.708 112 N HA -0.190 4.550 4.740 -0.000 0.000 0.255 112 N C 0.618 176.098 175.510 -0.050 0.000 1.046 112 N CA 0.647 53.665 53.050 -0.054 0.000 0.715 112 N CB -1.715 36.755 38.487 -0.028 0.000 0.895 112 N HN 0.804 nan 8.380 nan 0.000 0.545 113 C N -3.198 116.062 119.300 -0.068 0.000 2.935 113 C HA 0.510 4.969 4.460 -0.000 0.000 0.308 113 C C 1.002 175.925 174.990 -0.112 0.000 1.263 113 C CA -0.352 58.625 59.018 -0.069 0.000 1.738 113 C CB -0.563 27.149 27.740 -0.047 0.000 2.237 113 C HN 0.238 nan 8.230 nan 0.000 0.600 114 V N 2.597 122.437 119.914 -0.122 0.000 2.432 114 V HA 0.302 4.421 4.120 -0.000 0.000 0.275 114 V C 1.083 177.047 176.094 -0.216 0.000 1.043 114 V CA 0.831 63.043 62.300 -0.147 0.000 0.925 114 V CB 1.320 33.088 31.823 -0.093 0.000 0.985 114 V HN 0.546 nan 8.190 nan 0.000 0.466 115 T N 2.501 116.871 114.554 -0.305 0.000 3.042 115 T HA 0.140 4.490 4.350 -0.000 0.000 0.245 115 T C 0.505 174.992 174.700 -0.356 0.000 1.029 115 T CA 0.826 62.559 62.100 -0.612 0.000 1.120 115 T CB 0.325 68.758 68.868 -0.725 0.000 0.917 115 T HN 0.623 nan 8.240 nan 0.000 0.467 116 S N -0.303 115.306 115.700 -0.151 0.000 2.542 116 S HA 0.471 4.941 4.470 -0.000 0.000 0.276 116 S C -2.038 172.537 174.600 -0.043 0.000 1.148 116 S CA -0.812 57.377 58.200 -0.018 0.000 0.886 116 S CB 0.928 64.158 63.200 0.050 0.000 1.109 116 S HN 0.332 nan 8.310 nan 0.000 0.458 117 Y N 4.850 125.108 120.300 -0.069 0.000 2.327 117 Y HA 0.582 5.132 4.550 -0.000 0.000 0.336 117 Y C -0.430 175.376 175.900 -0.156 0.000 1.035 117 Y CA -0.532 57.515 58.100 -0.088 0.000 1.165 117 Y CB 0.690 39.173 38.460 0.038 0.000 1.181 117 Y HN 0.627 nan 8.280 nan 0.000 0.494 118 L N 7.642 128.349 121.223 -0.861 0.000 2.399 118 L HA 0.087 4.427 4.340 -0.000 0.000 0.257 118 L C 1.553 178.035 176.870 -0.646 0.000 1.236 118 L CA -0.004 54.249 54.840 -0.978 0.000 1.144 118 L CB -0.077 41.176 42.059 -1.342 0.000 1.379 118 L HN 0.924 nan 8.230 nan 0.000 0.414 119 T N -2.139 112.265 114.554 -0.251 0.000 2.737 119 T HA -0.252 4.098 4.350 -0.000 0.000 0.269 119 T C 1.004 175.660 174.700 -0.073 0.000 1.040 119 T CA 1.660 63.656 62.100 -0.174 0.000 1.142 119 T CB -0.473 68.488 68.868 0.154 0.000 0.861 119 T HN 0.685 nan 8.240 nan 0.000 0.456 120 D N 1.688 122.101 120.400 0.022 0.000 2.400 120 D HA 0.189 4.829 4.640 -0.000 0.000 0.243 120 D C 1.010 177.319 176.300 0.015 0.000 1.184 120 D CA -0.336 53.696 54.000 0.053 0.000 0.853 120 D CB -1.266 39.593 40.800 0.098 0.000 0.944 120 D HN 0.770 nan 8.370 nan 0.000 0.501 121 C N -1.166 118.093 119.300 -0.069 0.000 2.640 121 C HA 0.396 4.856 4.460 -0.000 0.000 0.330 121 C C 1.502 176.388 174.990 -0.175 0.000 1.416 121 C CA -0.542 58.389 59.018 -0.145 0.000 2.396 121 C CB 0.401 28.059 27.740 -0.137 0.000 2.330 121 C HN 0.581 nan 8.230 nan 0.000 0.704 122 E N -1.754 118.196 120.200 -0.417 0.000 4.976 122 E HA -0.291 4.058 4.350 -0.000 0.000 0.222 122 E C 1.292 177.810 176.600 -0.136 0.000 0.944 122 E CA 2.027 58.247 56.400 -0.299 0.000 1.778 122 E CB -2.076 27.586 29.700 -0.063 0.000 1.790 122 E HN 0.971 nan 8.360 nan 0.000 0.404 123 T N -1.332 113.171 114.554 -0.086 0.000 3.023 123 T HA -0.046 4.303 4.350 -0.000 0.000 0.266 123 T C 1.629 176.279 174.700 -0.082 0.000 1.093 123 T CA 1.260 63.326 62.100 -0.057 0.000 1.129 123 T CB 0.043 68.899 68.868 -0.020 0.000 0.899 123 T HN 0.022 nan 8.240 nan 0.000 0.491 124 Q N 0.550 120.275 119.800 -0.125 0.000 2.389 124 Q HA 0.307 4.646 4.340 -0.000 0.000 0.204 124 Q C 1.872 177.754 176.000 -0.196 0.000 0.944 124 Q CA 0.673 56.396 55.803 -0.133 0.000 0.908 124 Q CB -0.548 28.123 28.738 -0.112 0.000 1.002 124 Q HN 0.541 nan 8.270 nan 0.000 0.493 125 L N -1.097 119.955 121.223 -0.285 0.000 2.209 125 L HA -0.013 4.326 4.340 -0.000 0.000 0.207 125 L C 2.246 179.034 176.870 -0.136 0.000 1.094 125 L CA 0.642 55.310 54.840 -0.287 0.000 0.790 125 L CB -0.363 41.441 42.059 -0.424 0.000 0.932 125 L HN 0.128 nan 8.230 nan 0.000 0.447 126 S N -0.091 115.553 115.700 -0.095 0.000 2.351 126 S HA -0.228 4.242 4.470 -0.000 0.000 0.220 126 S C 1.331 175.929 174.600 -0.003 0.000 1.035 126 S CA 1.985 60.166 58.200 -0.032 0.000 1.031 126 S CB -0.138 63.047 63.200 -0.025 0.000 0.928 126 S HN 0.539 nan 8.310 nan 0.000 0.433 127 Q N -0.431 119.364 119.800 -0.009 0.000 2.965 127 Q HA 0.756 5.096 4.340 -0.000 0.000 0.288 127 Q C -0.502 175.510 176.000 0.019 0.000 0.974 127 Q CA 0.031 55.844 55.803 0.016 0.000 0.849 127 Q CB 0.580 29.321 28.738 0.005 0.000 1.280 127 Q HN 0.633 nan 8.270 nan 0.000 0.441 128 A N 2.323 125.174 122.820 0.053 0.000 2.354 128 A HA 0.703 5.023 4.320 -0.000 0.000 0.281 128 A C -2.351 175.368 177.584 0.226 0.000 1.174 128 A CA -1.351 50.746 52.037 0.099 0.000 0.828 128 A CB 0.168 19.174 19.000 0.010 0.000 1.099 128 A HN 0.500 nan 8.150 nan 0.000 0.516 129 P HA 0.107 nan 4.420 nan 0.000 0.267 129 P C 0.705 178.023 177.300 0.031 0.000 1.205 129 P CA -0.167 62.975 63.100 0.070 0.000 0.765 129 P CB 0.521 32.243 31.700 0.037 0.000 0.828 130 R N 2.877 123.290 120.500 -0.146 0.000 2.236 130 R HA -0.073 4.267 4.340 -0.000 0.000 0.208 130 R C 1.820 177.879 176.300 -0.402 0.000 1.036 130 R CA 1.371 57.173 56.100 -0.495 0.000 1.001 130 R CB -0.066 30.010 30.300 -0.373 0.000 0.896 130 R HN 0.595 nan 8.270 nan 0.000 0.464 131 Q N -0.088 119.611 119.800 -0.167 0.000 2.247 131 Q HA 0.228 4.568 4.340 -0.000 0.000 0.211 131 Q C 0.592 176.576 176.000 -0.027 0.000 0.861 131 Q CA 0.363 56.109 55.803 -0.095 0.000 0.949 131 Q CB 0.736 29.437 28.738 -0.062 0.000 1.115 131 Q HN 0.374 nan 8.270 nan 0.000 0.507 132 G N 0.278 109.085 108.800 0.011 0.000 2.441 132 G HA2 0.382 4.342 3.960 -0.000 0.000 0.243 132 G HA3 0.382 4.342 3.960 -0.000 0.000 0.243 132 G C 0.654 175.592 174.900 0.063 0.000 1.281 132 G CA -0.461 44.669 45.100 0.049 0.000 0.854 132 G HN 0.246 nan 8.290 nan 0.000 0.560 133 L N 1.482 122.723 121.223 0.031 0.000 2.376 133 L HA 0.134 4.474 4.340 -0.000 0.000 0.219 133 L C 1.820 178.702 176.870 0.019 0.000 1.133 133 L CA 1.096 55.945 54.840 0.015 0.000 0.816 133 L CB -0.752 41.296 42.059 -0.019 0.000 0.933 133 L HN 0.467 nan 8.230 nan 0.000 0.449 134 L N -1.901 119.335 121.223 0.023 0.000 3.100 134 L HA 0.079 4.419 4.340 -0.000 0.000 0.259 134 L C 1.498 178.384 176.870 0.027 0.000 1.316 134 L CA -0.278 54.565 54.840 0.005 0.000 0.992 134 L CB -0.251 41.786 42.059 -0.036 0.000 1.390 134 L HN 0.056 nan 8.230 nan 0.000 0.550 135 Y N 1.179 121.459 120.300 -0.033 0.000 2.165 135 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 135 Y C 2.069 177.949 175.900 -0.034 0.000 1.155 135 Y CA 1.981 60.062 58.100 -0.031 0.000 1.164 135 Y CB 0.239 38.686 38.460 -0.022 0.000 0.978 135 Y HN 0.316 nan 8.280 nan 0.000 0.513 136 G N -0.115 108.507 108.800 -0.298 0.000 2.551 136 G HA2 0.013 3.973 3.960 -0.000 0.000 0.216 136 G HA3 0.013 3.973 3.960 -0.000 0.000 0.216 136 G C 0.105 174.859 174.900 -0.243 0.000 1.137 136 G CA 0.405 45.275 45.100 -0.384 0.000 0.798 136 G HN 0.162 nan 8.290 nan 0.000 0.536 137 V N 3.219 123.036 119.914 -0.161 0.000 2.508 137 V HA 0.208 4.328 4.120 -0.000 0.000 0.281 137 V C -1.915 174.097 176.094 -0.136 0.000 1.041 137 V CA -1.660 60.559 62.300 -0.134 0.000 1.016 137 V CB 1.200 32.960 31.823 -0.106 0.000 0.984 137 V HN 0.102 nan 8.190 nan 0.000 0.478 138 P HA 0.225 nan 4.420 nan 0.000 0.276 138 P C -0.500 176.792 177.300 -0.012 0.000 1.253 138 P CA 0.097 63.083 63.100 -0.191 0.000 0.766 138 P CB 1.200 32.500 31.700 -0.666 0.000 0.845 139 V N 1.734 121.748 119.914 0.166 0.000 2.630 139 V HA 0.752 4.872 4.120 -0.000 0.000 0.305 139 V C -0.043 176.070 176.094 0.031 0.000 1.046 139 V CA -0.752 61.599 62.300 0.085 0.000 0.934 139 V CB 1.700 33.495 31.823 -0.046 0.000 1.003 139 V HN 0.572 nan 8.190 nan 0.000 0.451 140 S N 5.170 120.796 115.700 -0.123 0.000 2.617 140 S HA 0.833 5.303 4.470 -0.000 0.000 0.283 140 S C -0.599 173.871 174.600 -0.218 0.000 1.189 140 S CA -0.851 57.151 58.200 -0.330 0.000 1.036 140 S CB 1.328 64.330 63.200 -0.330 0.000 1.014 140 S HN 0.849 nan 8.310 nan 0.000 0.522 141 L N 1.365 122.481 121.223 -0.179 0.000 2.362 141 L HA 0.509 4.849 4.340 -0.000 0.000 0.275 141 L C 0.180 177.119 176.870 0.115 0.000 0.998 141 L CA -0.846 53.979 54.840 -0.025 0.000 0.820 141 L CB 1.847 43.967 42.059 0.101 0.000 1.270 141 L HN 0.699 nan 8.230 nan 0.000 0.415 142 K N 1.923 122.453 120.400 0.216 0.000 2.511 142 K HA -0.107 4.213 4.320 -0.000 0.000 0.280 142 K C 1.123 177.791 176.600 0.114 0.000 1.008 142 K CA 0.345 56.760 56.287 0.213 0.000 1.050 142 K CB 0.754 33.451 32.500 0.329 0.000 0.889 142 K HN 0.676 nan 8.250 nan 0.000 0.484 143 E N 2.822 122.928 120.200 -0.157 0.000 2.169 143 E HA -0.308 4.042 4.350 -0.000 0.000 0.202 143 E C 1.559 177.878 176.600 -0.469 0.000 1.016 143 E CA 2.219 58.299 56.400 -0.533 0.000 0.817 143 E CB -0.136 29.385 29.700 -0.298 0.000 0.736 143 E HN 0.829 nan 8.360 nan 0.000 0.462 144 C N -0.282 118.880 119.300 -0.229 0.000 2.437 144 C HA 0.097 4.557 4.460 -0.000 0.000 0.283 144 C C 1.012 175.869 174.990 -0.222 0.000 1.424 144 C CA -0.796 58.092 59.018 -0.217 0.000 1.782 144 C CB -1.683 25.901 27.740 -0.259 0.000 1.833 144 C HN 0.166 nan 8.230 nan 0.000 0.532 145 F N 3.806 123.755 119.950 -0.002 0.000 2.487 145 F HA 0.257 4.784 4.527 -0.000 0.000 0.364 145 F C 1.307 177.241 175.800 0.223 0.000 1.126 145 F CA 0.195 58.261 58.000 0.110 0.000 1.135 145 F CB 0.183 39.261 39.000 0.129 0.000 1.127 145 F HN 0.262 nan 8.300 nan 0.000 0.559 146 S N 4.401 120.277 115.700 0.294 0.000 2.531 146 S HA 0.259 4.728 4.470 -0.000 0.000 0.279 146 S C -0.976 173.819 174.600 0.326 0.000 1.305 146 S CA -0.450 57.922 58.200 0.286 0.000 1.058 146 S CB 0.475 63.777 63.200 0.169 0.000 0.899 146 S HN 0.563 nan 8.310 nan 0.000 0.493 147 Y N 1.288 121.716 120.300 0.212 0.000 2.425 147 Y HA 0.508 5.058 4.550 -0.000 0.000 0.344 147 Y C 0.216 176.199 175.900 0.138 0.000 0.969 147 Y CA -0.653 57.517 58.100 0.116 0.000 1.052 147 Y CB 1.129 39.563 38.460 -0.043 0.000 1.215 147 Y HN 0.966 nan 8.280 nan 0.000 0.451 148 K N 2.605 122.933 120.400 -0.121 0.000 2.453 148 K HA 0.418 4.737 4.320 -0.000 0.000 0.280 148 K C 0.983 177.667 176.600 0.141 0.000 1.045 148 K CA 0.458 56.735 56.287 -0.016 0.000 1.059 148 K CB -0.883 31.534 32.500 -0.138 0.000 0.901 148 K HN 1.757 nan 8.250 nan 0.000 0.475 149 G N 1.492 110.344 108.800 0.086 0.000 2.148 149 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.254 149 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.254 149 G C 0.095 174.929 174.900 -0.110 0.000 0.981 149 G CA 0.460 45.559 45.100 -0.001 0.000 0.670 149 G HN 1.022 nan 8.290 nan 0.000 0.528 150 H N -0.138 119.033 119.070 0.167 0.000 2.747 150 H HA 0.432 4.988 4.556 -0.000 0.000 0.371 150 H C -0.984 174.463 175.328 0.199 0.000 1.161 150 H CA -0.770 55.387 56.048 0.182 0.000 1.167 150 H CB 1.852 31.724 29.762 0.183 0.000 1.732 150 H HN 0.126 nan 8.280 nan 0.000 0.544 151 D N 0.636 121.232 120.400 0.326 0.000 2.312 151 D HA 0.135 4.774 4.640 -0.000 0.000 0.252 151 D C -0.234 176.197 176.300 0.218 0.000 1.150 151 D CA 0.133 54.272 54.000 0.233 0.000 0.870 151 D CB 0.835 41.764 40.800 0.214 0.000 1.153 151 D HN 0.267 nan 8.370 nan 0.000 0.457 152 S N 1.015 116.798 115.700 0.138 0.000 2.835 152 S HA 0.135 4.605 4.470 -0.000 0.000 0.194 152 S C 0.334 174.958 174.600 0.039 0.000 1.364 152 S CA -0.837 57.389 58.200 0.043 0.000 1.167 152 S CB -0.074 63.142 63.200 0.027 0.000 1.223 152 S HN 0.532 nan 8.310 nan 0.000 0.512 153 T N 0.505 115.105 114.554 0.078 0.000 2.916 153 T HA 0.207 4.556 4.350 -0.000 0.000 0.303 153 T C 0.497 175.222 174.700 0.042 0.000 1.025 153 T CA -0.457 61.680 62.100 0.061 0.000 1.142 153 T CB 0.173 69.103 68.868 0.104 0.000 0.947 153 T HN 0.113 nan 8.240 nan 0.000 0.544 154 L N 3.906 125.123 121.223 -0.010 0.000 2.783 154 L HA 0.400 4.740 4.340 -0.000 0.000 0.236 154 L C 1.938 178.809 176.870 0.003 0.000 1.225 154 L CA 0.726 55.555 54.840 -0.018 0.000 1.026 154 L CB -0.676 41.349 42.059 -0.057 0.000 1.314 154 L HN 1.240 nan 8.230 nan 0.000 0.489 155 G N -0.885 107.940 108.800 0.041 0.000 2.157 155 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.239 155 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.239 155 G C -0.074 174.791 174.900 -0.058 0.000 0.982 155 G CA -0.359 44.756 45.100 0.025 0.000 0.650 155 G HN 0.127 nan 8.290 nan 0.000 0.527 156 L N 1.744 122.909 121.223 -0.096 0.000 2.305 156 L HA 0.597 4.937 4.340 -0.000 0.000 0.284 156 L C 1.654 178.460 176.870 -0.106 0.000 1.013 156 L CA 0.318 55.059 54.840 -0.164 0.000 0.819 156 L CB 1.244 43.158 42.059 -0.241 0.000 1.227 156 L HN 0.124 nan 8.230 nan 0.000 0.417 157 S N 2.974 118.619 115.700 -0.092 0.000 2.382 157 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 157 S C 1.789 176.354 174.600 -0.058 0.000 1.027 157 S CA 0.878 59.041 58.200 -0.062 0.000 0.991 157 S CB -0.364 62.817 63.200 -0.031 0.000 0.823 157 S HN 0.612 nan 8.310 nan 0.000 0.469 158 L N 3.286 124.462 121.223 -0.079 0.000 2.058 158 L HA -0.280 4.060 4.340 -0.000 0.000 0.226 158 L C 0.483 177.328 176.870 -0.042 0.000 1.089 158 L CA 2.246 57.044 54.840 -0.070 0.000 0.799 158 L CB -1.000 40.995 42.059 -0.107 0.000 0.900 158 L HN 0.555 nan 8.230 nan 0.000 0.442 159 N N -1.217 117.459 118.700 -0.041 0.000 2.761 159 N HA 0.186 4.926 4.740 -0.000 0.000 0.317 159 N C 0.577 176.092 175.510 0.008 0.000 1.546 159 N CA 0.328 53.374 53.050 -0.008 0.000 1.015 159 N CB 0.446 38.935 38.487 0.003 0.000 1.343 159 N HN 0.494 nan 8.380 nan 0.000 0.504 160 E N 0.032 120.231 120.200 -0.002 0.000 2.460 160 E HA 0.163 4.512 4.350 -0.000 0.000 0.200 160 E C 1.642 178.253 176.600 0.019 0.000 1.011 160 E CA 0.276 56.680 56.400 0.008 0.000 0.912 160 E CB -0.272 29.409 29.700 -0.032 0.000 0.953 160 E HN 0.353 nan 8.360 nan 0.000 0.494 161 G N 1.332 110.141 108.800 0.014 0.000 2.414 161 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.215 161 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.215 161 G C 0.901 175.819 174.900 0.029 0.000 1.188 161 G CA 1.027 46.138 45.100 0.018 0.000 0.783 161 G HN 0.326 nan 8.290 nan 0.000 0.537 162 M N 1.488 121.109 119.600 0.036 0.000 2.101 162 M HA 0.458 4.937 4.480 -0.000 0.000 0.340 162 M C -3.062 173.273 176.300 0.059 0.000 1.057 162 M CA -3.175 52.149 55.300 0.040 0.000 0.984 162 M CB 1.392 34.013 32.600 0.035 0.000 1.560 162 M HN -0.164 nan 8.290 nan 0.000 0.435 163 P HA 0.231 nan 4.420 nan 0.000 0.274 163 P C -0.644 176.699 177.300 0.071 0.000 1.237 163 P CA -0.178 62.963 63.100 0.069 0.000 0.793 163 P CB 0.428 32.147 31.700 0.032 0.000 0.977 164 S N -0.844 114.915 115.700 0.099 0.000 2.565 164 S HA 0.361 4.831 4.470 -0.000 0.000 0.274 164 S C 1.559 176.190 174.600 0.052 0.000 1.309 164 S CA -0.176 58.074 58.200 0.083 0.000 1.043 164 S CB 0.606 63.875 63.200 0.115 0.000 0.939 164 S HN 0.599 nan 8.310 nan 0.000 0.504 165 E N 1.447 121.666 120.200 0.032 0.000 2.153 165 E HA 0.025 4.374 4.350 -0.000 0.000 0.194 165 E C 0.956 177.554 176.600 -0.002 0.000 0.988 165 E CA 1.401 57.809 56.400 0.013 0.000 0.811 165 E CB -0.160 29.545 29.700 0.008 0.000 0.746 165 E HN 0.612 nan 8.360 nan 0.000 0.466 166 S N -0.602 115.097 115.700 -0.001 0.000 2.627 166 S HA 0.460 4.930 4.470 -0.000 0.000 0.283 166 S C -1.763 172.813 174.600 -0.040 0.000 1.127 166 S CA -0.801 57.382 58.200 -0.030 0.000 0.863 166 S CB 1.510 64.698 63.200 -0.021 0.000 1.121 166 S HN 0.349 nan 8.310 nan 0.000 0.479 167 D N 1.858 122.193 120.400 -0.109 0.000 2.382 167 D HA 0.233 4.873 4.640 -0.000 0.000 0.245 167 D C 0.688 176.975 176.300 -0.020 0.000 1.120 167 D CA -0.139 53.788 54.000 -0.122 0.000 0.890 167 D CB 0.478 41.131 40.800 -0.246 0.000 1.201 167 D HN 0.688 nan 8.370 nan 0.000 0.433 168 C N 0.587 119.920 119.300 0.055 0.000 2.649 168 C HA 0.183 4.643 4.460 -0.000 0.000 0.377 168 C C 2.087 177.119 174.990 0.071 0.000 1.321 168 C CA -0.802 58.272 59.018 0.092 0.000 2.368 168 C CB 0.198 28.045 27.740 0.179 0.000 2.597 168 C HN 0.480 nan 8.230 nan 0.000 0.678 169 V N 2.515 122.476 119.914 0.077 0.000 2.407 169 V HA -0.159 3.960 4.120 -0.000 0.000 0.248 169 V C 2.508 178.627 176.094 0.042 0.000 1.055 169 V CA 2.552 64.882 62.300 0.051 0.000 1.049 169 V CB -0.487 31.370 31.823 0.058 0.000 0.662 169 V HN 0.989 nan 8.190 nan 0.000 0.455 170 V N -2.690 117.273 119.914 0.081 0.000 2.719 170 V HA -0.066 4.054 4.120 -0.000 0.000 0.252 170 V C 2.128 178.217 176.094 -0.008 0.000 1.065 170 V CA 1.570 63.896 62.300 0.044 0.000 1.086 170 V CB -0.465 31.406 31.823 0.080 0.000 0.700 170 V HN 0.285 nan 8.190 nan 0.000 0.467 171 V N 0.273 120.200 119.914 0.021 0.000 2.453 171 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 171 V C 2.786 178.858 176.094 -0.036 0.000 1.048 171 V CA 2.128 64.428 62.300 0.001 0.000 1.049 171 V CB -0.774 31.097 31.823 0.080 0.000 0.672 171 V HN 0.532 nan 8.190 nan 0.000 0.457 172 Q N -0.083 119.689 119.800 -0.047 0.000 2.077 172 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 172 Q C 2.387 178.325 176.000 -0.104 0.000 0.989 172 Q CA 2.321 58.075 55.803 -0.082 0.000 0.853 172 Q CB -0.390 28.306 28.738 -0.070 0.000 0.907 172 Q HN 0.681 nan 8.270 nan 0.000 0.418 173 V N -1.386 118.477 119.914 -0.086 0.000 3.041 173 V HA -0.075 4.045 4.120 -0.000 0.000 0.260 173 V C 1.732 177.775 176.094 -0.085 0.000 1.105 173 V CA 0.875 63.113 62.300 -0.102 0.000 1.125 173 V CB -0.337 31.440 31.823 -0.076 0.000 0.730 173 V HN 0.283 nan 8.190 nan 0.000 0.479 174 L N -0.003 121.176 121.223 -0.072 0.000 2.027 174 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 174 L C 2.842 179.677 176.870 -0.059 0.000 1.074 174 L CA 2.154 56.955 54.840 -0.065 0.000 0.745 174 L CB -0.489 41.531 42.059 -0.064 0.000 0.898 174 L HN 0.268 nan 8.230 nan 0.000 0.433 175 K N -0.178 120.184 120.400 -0.064 0.000 2.217 175 K HA -0.061 4.259 4.320 -0.000 0.000 0.202 175 K C 1.972 178.526 176.600 -0.076 0.000 1.051 175 K CA 0.861 57.110 56.287 -0.063 0.000 0.952 175 K CB 0.015 32.474 32.500 -0.069 0.000 0.736 175 K HN 0.241 nan 8.250 nan 0.000 0.453 176 L N 0.270 121.422 121.223 -0.119 0.000 2.418 176 L HA -0.065 4.275 4.340 -0.000 0.000 0.218 176 L C 1.645 178.468 176.870 -0.078 0.000 1.125 176 L CA 0.632 55.373 54.840 -0.164 0.000 0.835 176 L CB 0.176 42.000 42.059 -0.391 0.000 0.953 176 L HN 0.051 nan 8.230 nan 0.000 0.454 177 Q N -0.504 119.268 119.800 -0.046 0.000 2.201 177 Q HA 0.209 4.549 4.340 -0.000 0.000 0.217 177 Q C 1.137 177.149 176.000 0.021 0.000 0.860 177 Q CA 0.558 56.360 55.803 -0.001 0.000 0.984 177 Q CB 0.431 29.160 28.738 -0.016 0.000 1.095 177 Q HN 0.331 nan 8.270 nan 0.000 0.477 178 G N -0.968 107.848 108.800 0.026 0.000 2.268 178 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.240 178 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.240 178 G C 0.428 175.304 174.900 -0.039 0.000 1.010 178 G CA -0.020 45.119 45.100 0.065 0.000 0.618 178 G HN 0.679 nan 8.290 nan 0.000 0.516 179 A N -0.374 122.418 122.820 -0.047 0.000 2.386 179 A HA 0.609 4.929 4.320 -0.000 0.000 0.246 179 A C 0.508 178.054 177.584 -0.063 0.000 1.089 179 A CA 0.874 52.870 52.037 -0.069 0.000 0.790 179 A CB 0.732 19.698 19.000 -0.057 0.000 1.042 179 A HN 1.331 nan 8.150 nan 0.000 0.497 180 V N 1.983 121.870 119.914 -0.045 0.000 2.320 180 V HA 0.273 4.393 4.120 -0.000 0.000 0.268 180 V C -2.677 173.481 176.094 0.107 0.000 1.021 180 V CA -1.484 60.811 62.300 -0.007 0.000 0.813 180 V CB 0.801 32.590 31.823 -0.056 0.000 1.054 180 V HN 0.693 nan 8.190 nan 0.000 0.444 181 P HA 0.175 nan 4.420 nan 0.000 0.267 181 P C 0.019 177.301 177.300 -0.030 0.000 1.209 181 P CA 0.233 63.342 63.100 0.015 0.000 0.763 181 P CB 0.319 32.015 31.700 -0.006 0.000 0.816 182 F N 2.936 122.744 119.950 -0.238 0.000 2.754 182 F HA 0.301 4.828 4.527 -0.000 0.000 0.316 182 F C -0.195 175.441 175.800 -0.273 0.000 0.959 182 F CA -0.262 57.604 58.000 -0.222 0.000 1.148 182 F CB -0.076 38.908 39.000 -0.027 0.000 0.951 182 F HN 0.093 nan 8.300 nan 0.000 0.625 183 V N -0.721 118.629 119.914 -0.940 0.000 2.823 183 V HA 0.556 4.676 4.120 -0.000 0.000 0.312 183 V C -1.065 174.744 176.094 -0.474 0.000 1.072 183 V CA -0.809 61.113 62.300 -0.630 0.000 0.937 183 V CB 1.346 32.825 31.823 -0.573 0.000 1.013 183 V HN 0.324 nan 8.190 nan 0.000 0.430 184 H N 1.720 120.553 119.070 -0.395 0.000 2.502 184 H HA 0.634 5.190 4.556 -0.000 0.000 0.327 184 H C 0.160 175.336 175.328 -0.253 0.000 1.099 184 H CA -0.023 55.852 56.048 -0.289 0.000 1.323 184 H CB 1.603 31.217 29.762 -0.248 0.000 1.450 184 H HN 1.020 nan 8.280 nan 0.000 0.502 185 T N 0.928 115.442 114.554 -0.066 0.000 2.895 185 T HA 0.149 4.499 4.350 -0.000 0.000 0.283 185 T C 0.192 174.823 174.700 -0.114 0.000 1.014 185 T CA -1.199 60.835 62.100 -0.110 0.000 1.037 185 T CB 1.499 70.316 68.868 -0.085 0.000 1.006 185 T HN 0.485 nan 8.240 nan 0.000 0.468 186 N N 0.915 119.544 118.700 -0.117 0.000 2.492 186 N HA 0.338 5.077 4.740 -0.000 0.000 0.262 186 N C -0.175 175.319 175.510 -0.027 0.000 1.202 186 N CA -0.279 52.715 53.050 -0.093 0.000 0.926 186 N CB 0.484 38.927 38.487 -0.074 0.000 1.078 186 N HN 0.737 nan 8.380 nan 0.000 0.454 187 V N 1.615 121.529 119.914 -0.000 0.000 2.881 187 V HA 0.771 4.890 4.120 -0.000 0.000 0.316 187 V C -2.365 173.761 176.094 0.053 0.000 1.070 187 V CA -2.220 60.094 62.300 0.025 0.000 0.976 187 V CB 1.644 33.475 31.823 0.013 0.000 1.038 187 V HN 0.629 nan 8.190 nan 0.000 0.446 188 P HA 0.087 nan 4.420 nan 0.000 0.272 188 P C 0.522 177.875 177.300 0.088 0.000 1.240 188 P CA 0.084 63.226 63.100 0.070 0.000 0.791 188 P CB 1.005 32.744 31.700 0.065 0.000 0.978 189 Q N 1.561 121.425 119.800 0.107 0.000 2.047 189 Q HA -0.223 4.117 4.340 -0.000 0.000 0.211 189 Q C 1.719 177.769 176.000 0.084 0.000 1.005 189 Q CA 2.723 58.591 55.803 0.107 0.000 0.866 189 Q CB -0.654 28.185 28.738 0.168 0.000 0.938 189 Q HN 0.378 nan 8.270 nan 0.000 0.414 190 S N -1.542 114.270 115.700 0.188 0.000 2.577 190 S HA 0.225 4.694 4.470 -0.000 0.000 0.219 190 S C 0.523 175.224 174.600 0.169 0.000 0.962 190 S CA 0.451 58.750 58.200 0.165 0.000 0.921 190 S CB 0.003 63.419 63.200 0.359 0.000 0.789 190 S HN 0.537 nan 8.310 nan 0.000 0.497 191 M N -1.102 118.573 119.600 0.125 0.000 2.862 191 M HA -0.242 4.238 4.480 -0.000 0.000 0.169 191 M C -0.114 176.271 176.300 0.141 0.000 0.663 191 M CA 0.736 56.100 55.300 0.106 0.000 0.641 191 M CB -1.248 31.381 32.600 0.049 0.000 2.326 191 M HN 0.289 nan 8.290 nan 0.000 0.289 192 L N 1.401 122.762 121.223 0.230 0.000 2.512 192 L HA 0.588 4.928 4.340 -0.000 0.000 0.247 192 L C 0.015 176.998 176.870 0.189 0.000 1.204 192 L CA 0.529 55.483 54.840 0.190 0.000 1.153 192 L CB 0.862 43.025 42.059 0.173 0.000 1.415 192 L HN 0.224 nan 8.230 nan 0.000 0.406 193 S N 1.712 117.501 115.700 0.149 0.000 2.580 193 S HA 0.329 4.798 4.470 -0.000 0.000 0.281 193 S C -0.282 174.397 174.600 0.132 0.000 1.129 193 S CA -0.563 57.706 58.200 0.115 0.000 0.862 193 S CB 0.411 63.659 63.200 0.080 0.000 1.090 193 S HN 0.376 nan 8.310 nan 0.000 0.451 194 F N 1.450 121.324 119.950 -0.126 0.000 2.668 194 F HA 0.579 5.106 4.527 -0.000 0.000 0.301 194 F C 0.328 176.024 175.800 -0.173 0.000 1.106 194 F CA -0.587 57.277 58.000 -0.226 0.000 1.289 194 F CB 0.105 38.747 39.000 -0.596 0.000 1.006 194 F HN 0.443 nan 8.300 nan 0.000 0.535 195 D N 0.447 120.673 120.400 -0.289 0.000 2.478 195 D HA 0.238 4.878 4.640 -0.000 0.000 0.274 195 D C -0.616 175.665 176.300 -0.033 0.000 1.234 195 D CA -0.602 53.303 54.000 -0.159 0.000 1.069 195 D CB 1.957 42.656 40.800 -0.169 0.000 1.113 195 D HN 0.205 nan 8.370 nan 0.000 0.571 196 C N 1.423 120.721 119.300 -0.004 0.000 3.418 196 C HA 0.617 5.077 4.460 -0.000 0.000 0.238 196 C C -0.959 174.047 174.990 0.028 0.000 1.205 196 C CA -0.239 58.793 59.018 0.023 0.000 1.376 196 C CB -1.479 26.282 27.740 0.035 0.000 1.826 196 C HN 0.367 nan 8.230 nan 0.000 0.513 197 S N 3.833 119.552 115.700 0.033 0.000 2.536 197 S HA 0.752 5.222 4.470 -0.000 0.000 0.271 197 S C -1.427 173.209 174.600 0.059 0.000 1.134 197 S CA -0.443 57.781 58.200 0.041 0.000 0.897 197 S CB 1.141 64.354 63.200 0.021 0.000 1.094 197 S HN 0.928 nan 8.310 nan 0.000 0.473 198 N N 2.861 121.603 118.700 0.070 0.000 2.416 198 N HA 0.469 5.209 4.740 -0.000 0.000 0.276 198 N C -2.963 172.565 175.510 0.031 0.000 1.261 198 N CA -1.561 51.531 53.050 0.071 0.000 0.790 198 N CB 1.842 40.388 38.487 0.099 0.000 1.554 198 N HN 0.275 nan 8.380 nan 0.000 0.481 199 P HA 0.137 nan 4.420 nan 0.000 0.245 199 P C 1.266 178.489 177.300 -0.129 0.000 1.206 199 P CA 0.066 63.123 63.100 -0.072 0.000 0.781 199 P CB 0.405 32.084 31.700 -0.034 0.000 0.994 200 L N -2.027 119.103 121.223 -0.155 0.000 2.127 200 L HA 0.115 4.455 4.340 -0.000 0.000 0.203 200 L C 1.924 178.510 176.870 -0.473 0.000 1.080 200 L CA 1.905 56.514 54.840 -0.385 0.000 0.768 200 L CB -1.125 40.594 42.059 -0.566 0.000 0.924 200 L HN -0.082 nan 8.230 nan 0.000 0.444 201 F N -1.754 118.187 119.950 -0.016 0.000 2.752 201 F HA 0.478 5.005 4.527 -0.000 0.000 0.310 201 F C 1.392 177.179 175.800 -0.022 0.000 1.097 201 F CA 0.262 58.254 58.000 -0.013 0.000 1.238 201 F CB 0.485 39.482 39.000 -0.006 0.000 1.061 201 F HN 0.127 nan 8.300 nan 0.000 0.591 202 G N 1.063 109.939 108.800 0.126 0.000 2.627 202 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.214 202 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.214 202 G C -0.913 174.023 174.900 0.060 0.000 1.331 202 G CA -0.822 44.313 45.100 0.058 0.000 0.891 202 G HN 0.207 nan 8.290 nan 0.000 0.539 203 Q N -0.090 119.728 119.800 0.030 0.000 2.278 203 Q HA 0.600 4.939 4.340 -0.000 0.000 0.257 203 Q C 0.065 176.076 176.000 0.018 0.000 0.928 203 Q CA -0.245 55.571 55.803 0.021 0.000 0.932 203 Q CB 0.763 29.505 28.738 0.007 0.000 1.221 203 Q HN 0.655 nan 8.270 nan 0.000 0.434 204 T N 4.188 118.755 114.554 0.021 0.000 2.869 204 T HA 0.351 4.701 4.350 -0.000 0.000 0.295 204 T C -0.254 174.461 174.700 0.026 0.000 0.987 204 T CA -0.286 61.824 62.100 0.017 0.000 1.109 204 T CB 0.631 69.510 68.868 0.019 0.000 0.932 204 T HN 0.550 nan 8.240 nan 0.000 0.518 205 M N 2.862 122.477 119.600 0.024 0.000 2.528 205 M HA 0.311 4.790 4.480 -0.000 0.000 0.318 205 M C 0.580 176.919 176.300 0.065 0.000 1.195 205 M CA -0.624 54.697 55.300 0.035 0.000 1.000 205 M CB 1.170 33.779 32.600 0.015 0.000 1.615 205 M HN 0.441 nan 8.290 nan 0.000 0.469 206 N N 2.451 121.207 118.700 0.094 0.000 2.492 206 N HA 0.130 4.870 4.740 -0.000 0.000 0.262 206 N C -1.961 173.619 175.510 0.116 0.000 1.202 206 N CA -0.905 52.236 53.050 0.150 0.000 0.926 206 N CB 1.156 39.753 38.487 0.183 0.000 1.078 206 N HN 0.368 nan 8.380 nan 0.000 0.454 207 P HA -0.051 nan 4.420 nan 0.000 0.222 207 P C 0.842 178.086 177.300 -0.094 0.000 1.153 207 P CA 1.089 64.167 63.100 -0.038 0.000 0.798 207 P CB 0.107 31.734 31.700 -0.121 0.000 0.796 208 W N 0.957 122.266 121.300 0.016 0.000 2.441 208 W HA 0.127 4.787 4.660 -0.000 0.000 0.302 208 W C 1.409 177.926 176.519 -0.003 0.000 1.191 208 W CA 0.819 58.169 57.345 0.007 0.000 1.327 208 W CB -0.188 29.277 29.460 0.008 0.000 1.128 208 W HN -0.175 nan 8.180 nan 0.000 0.522 209 K N -0.506 120.028 120.400 0.223 0.000 2.422 209 K HA 0.238 4.557 4.320 -0.000 0.000 0.251 209 K C 0.653 177.295 176.600 0.070 0.000 0.933 209 K CA -0.333 56.021 56.287 0.112 0.000 0.798 209 K CB 2.044 34.598 32.500 0.089 0.000 1.238 209 K HN -0.372 nan 8.250 nan 0.000 0.428 210 S N 0.059 115.782 115.700 0.037 0.000 2.423 210 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 210 S C 1.431 176.040 174.600 0.016 0.000 1.014 210 S CA 1.622 59.834 58.200 0.020 0.000 0.965 210 S CB -0.018 63.186 63.200 0.006 0.000 0.785 210 S HN 0.735 nan 8.310 nan 0.000 0.495 211 S N 0.022 115.730 115.700 0.013 0.000 2.558 211 S HA 0.206 4.676 4.470 -0.000 0.000 0.217 211 S C 0.458 175.056 174.600 -0.003 0.000 0.975 211 S CA -0.065 58.135 58.200 0.000 0.000 0.912 211 S CB 0.114 63.310 63.200 -0.007 0.000 0.776 211 S HN 0.045 nan 8.310 nan 0.000 0.526 212 K N 1.977 122.383 120.400 0.011 0.000 2.118 212 K HA 0.469 4.789 4.320 -0.000 0.000 0.254 212 K C -0.164 176.461 176.600 0.042 0.000 0.961 212 K CA -0.447 55.842 56.287 0.003 0.000 0.876 212 K CB 1.527 34.022 32.500 -0.008 0.000 1.077 212 K HN 0.160 nan 8.250 nan 0.000 0.440 213 S N 2.198 117.931 115.700 0.055 0.000 2.564 213 S HA 0.163 4.633 4.470 -0.000 0.000 0.278 213 S C -1.703 173.046 174.600 0.249 0.000 1.333 213 S CA -1.104 57.172 58.200 0.127 0.000 1.048 213 S CB 0.361 63.644 63.200 0.139 0.000 0.900 213 S HN 0.307 nan 8.310 nan 0.000 0.505 214 P HA 0.243 nan 4.420 nan 0.000 0.256 214 P C 0.730 178.180 177.300 0.251 0.000 1.384 214 P CA 0.360 63.609 63.100 0.248 0.000 0.879 214 P CB -0.771 31.017 31.700 0.147 0.000 1.403 215 G N -0.595 108.370 108.800 0.275 0.000 2.750 215 G HA2 0.184 4.144 3.960 -0.000 0.000 0.228 215 G HA3 0.184 4.144 3.960 -0.000 0.000 0.228 215 G C -0.317 174.594 174.900 0.018 0.000 1.367 215 G CA -0.580 44.478 45.100 -0.069 0.000 0.871 215 G HN 0.637 nan 8.290 nan 0.000 0.560 216 G N -2.581 106.243 108.800 0.041 0.000 2.556 216 G HA2 0.712 4.672 3.960 -0.000 0.000 0.294 216 G HA3 0.712 4.672 3.960 -0.000 0.000 0.294 216 G C 0.408 175.406 174.900 0.163 0.000 1.516 216 G CA 0.853 46.006 45.100 0.089 0.000 0.824 216 G HN 2.109 nan 8.290 nan 0.000 0.535 217 S N -1.150 114.626 115.700 0.127 0.000 2.502 217 S HA 0.104 4.574 4.470 -0.000 0.000 0.215 217 S C 1.305 175.942 174.600 0.063 0.000 1.009 217 S CA 0.801 59.052 58.200 0.084 0.000 0.908 217 S CB 0.262 63.508 63.200 0.077 0.000 0.801 217 S HN 0.705 nan 8.310 nan 0.000 0.505 218 S N 2.157 117.897 115.700 0.068 0.000 3.593 218 S HA 0.331 4.801 4.470 -0.000 0.000 0.224 218 S C 1.368 175.999 174.600 0.053 0.000 1.333 218 S CA 0.020 58.257 58.200 0.062 0.000 1.164 218 S CB -0.313 62.932 63.200 0.074 0.000 1.281 218 S HN 0.671 nan 8.310 nan 0.000 0.457 219 G N 1.976 110.805 108.800 0.048 0.000 2.411 219 G HA2 0.071 4.031 3.960 -0.000 0.000 0.213 219 G HA3 0.071 4.031 3.960 -0.000 0.000 0.213 219 G C 1.359 176.285 174.900 0.044 0.000 1.166 219 G CA 0.313 45.445 45.100 0.054 0.000 0.802 219 G HN 0.601 nan 8.290 nan 0.000 0.533 220 G N 0.744 109.556 108.800 0.020 0.000 2.440 220 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 220 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 220 G C 1.642 176.537 174.900 -0.007 0.000 1.154 220 G CA 1.192 46.288 45.100 -0.006 0.000 0.767 220 G HN 0.312 nan 8.290 nan 0.000 0.552 221 E N 0.644 120.846 120.200 0.004 0.000 2.038 221 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 221 E C 2.814 179.429 176.600 0.025 0.000 1.000 221 E CA 1.216 57.619 56.400 0.005 0.000 0.803 221 E CB -1.039 28.674 29.700 0.022 0.000 0.750 221 E HN 0.327 nan 8.360 nan 0.000 0.448 222 G N 0.793 109.623 108.800 0.050 0.000 2.440 222 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.218 222 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.218 222 G C 1.685 176.641 174.900 0.094 0.000 1.154 222 G CA 1.357 46.505 45.100 0.080 0.000 0.767 222 G HN 0.403 nan 8.290 nan 0.000 0.552 223 A N -0.278 122.588 122.820 0.077 0.000 2.067 223 A HA 0.246 4.566 4.320 -0.000 0.000 0.219 223 A C 2.260 179.866 177.584 0.038 0.000 1.158 223 A CA 1.372 53.450 52.037 0.068 0.000 0.661 223 A CB -0.180 18.850 19.000 0.050 0.000 0.801 223 A HN 0.399 nan 8.150 nan 0.000 0.452 224 L N -0.837 120.403 121.223 0.028 0.000 2.221 224 L HA 0.196 4.536 4.340 -0.000 0.000 0.202 224 L C 2.113 179.012 176.870 0.049 0.000 1.074 224 L CA 1.109 55.964 54.840 0.025 0.000 0.795 224 L CB -0.205 41.853 42.059 -0.002 0.000 0.960 224 L HN 0.362 nan 8.230 nan 0.000 0.458 225 I N -0.047 120.552 120.570 0.049 0.000 2.133 225 I HA -0.075 4.095 4.170 -0.000 0.000 0.238 225 I C 1.414 177.576 176.117 0.076 0.000 1.074 225 I CA 0.788 62.123 61.300 0.058 0.000 1.342 225 I CB -1.078 36.948 38.000 0.043 0.000 1.053 225 I HN 0.311 nan 8.210 nan 0.000 0.404 226 G N 0.092 108.948 108.800 0.095 0.000 2.432 226 G HA2 0.212 4.172 3.960 -0.000 0.000 0.239 226 G HA3 0.212 4.172 3.960 -0.000 0.000 0.239 226 G C 0.871 175.783 174.900 0.021 0.000 1.291 226 G CA 0.433 45.596 45.100 0.104 0.000 0.863 226 G HN 0.624 nan 8.290 nan 0.000 0.560 227 S N -0.158 115.503 115.700 -0.067 0.000 2.981 227 S HA -0.172 4.297 4.470 -0.000 0.000 0.274 227 S C 2.073 176.663 174.600 -0.017 0.000 1.297 227 S CA 1.512 59.653 58.200 -0.098 0.000 1.266 227 S CB -1.608 61.515 63.200 -0.128 0.000 1.542 227 S HN 2.997 nan 8.310 nan 0.000 0.674 228 G N 0.154 108.980 108.800 0.044 0.000 2.143 228 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.249 228 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.249 228 G C 1.439 176.457 174.900 0.196 0.000 0.981 228 G CA 0.888 46.055 45.100 0.111 0.000 0.665 228 G HN 1.929 nan 8.290 nan 0.000 0.528 229 G N -0.725 108.170 108.800 0.159 0.000 2.509 229 G HA2 0.343 4.303 3.960 -0.000 0.000 0.218 229 G HA3 0.343 4.303 3.960 -0.000 0.000 0.218 229 G C 0.628 175.707 174.900 0.299 0.000 1.124 229 G CA 1.561 46.795 45.100 0.223 0.000 0.776 229 G HN 1.179 nan 8.290 nan 0.000 0.547 230 S N -0.770 115.037 115.700 0.178 0.000 2.541 230 S HA 0.553 5.023 4.470 -0.000 0.000 0.280 230 S C -2.102 172.432 174.600 -0.110 0.000 1.112 230 S CA -1.115 57.096 58.200 0.017 0.000 0.925 230 S CB 2.441 65.669 63.200 0.046 0.000 1.067 230 S HN -0.076 nan 8.310 nan 0.000 0.479 231 P HA 0.258 nan 4.420 nan 0.000 0.240 231 P C -0.372 176.856 177.300 -0.120 0.000 1.190 231 P CA 0.219 63.181 63.100 -0.231 0.000 0.781 231 P CB 0.229 31.699 31.700 -0.383 0.000 0.931 232 L N -1.391 119.765 121.223 -0.113 0.000 2.612 232 L HA 0.746 5.086 4.340 -0.000 0.000 0.256 232 L C -1.063 175.762 176.870 -0.074 0.000 0.949 232 L CA -0.508 54.283 54.840 -0.081 0.000 0.867 232 L CB 1.913 43.915 42.059 -0.095 0.000 1.417 232 L HN -0.015 nan 8.230 nan 0.000 0.414 233 G N 2.558 111.313 108.800 -0.075 0.000 2.690 233 G HA2 0.628 4.588 3.960 -0.000 0.000 0.293 233 G HA3 0.628 4.588 3.960 -0.000 0.000 0.293 233 G C -2.398 172.431 174.900 -0.118 0.000 1.399 233 G CA -0.619 44.424 45.100 -0.095 0.000 0.890 233 G HN 0.415 nan 8.290 nan 0.000 0.485 234 L N 1.047 122.149 121.223 -0.201 0.000 2.307 234 L HA 0.784 5.124 4.340 -0.000 0.000 0.284 234 L C 0.853 177.727 176.870 0.008 0.000 1.023 234 L CA -0.367 54.328 54.840 -0.242 0.000 0.810 234 L CB 1.221 42.831 42.059 -0.749 0.000 1.231 234 L HN 0.770 nan 8.230 nan 0.000 0.423 235 G N 0.889 109.786 108.800 0.163 0.000 2.644 235 G HA2 0.719 4.679 3.960 -0.000 0.000 0.307 235 G HA3 0.719 4.679 3.960 -0.000 0.000 0.307 235 G C -0.717 174.371 174.900 0.313 0.000 1.250 235 G CA -0.177 45.092 45.100 0.282 0.000 0.996 235 G HN 0.587 nan 8.290 nan 0.000 0.489 236 T N -2.150 112.505 114.554 0.170 0.000 2.940 236 T HA 0.675 5.025 4.350 -0.000 0.000 0.288 236 T C -1.473 173.253 174.700 0.044 0.000 1.045 236 T CA -0.720 61.425 62.100 0.075 0.000 1.018 236 T CB 2.510 71.349 68.868 -0.049 0.000 1.151 236 T HN 0.402 nan 8.240 nan 0.000 0.529 237 D N 0.579 120.992 120.400 0.022 0.000 2.452 237 D HA 0.284 4.924 4.640 -0.000 0.000 0.226 237 D C -0.383 175.912 176.300 -0.009 0.000 1.366 237 D CA -0.422 53.581 54.000 0.006 0.000 0.986 237 D CB 1.673 42.473 40.800 0.000 0.000 1.420 237 D HN 0.620 nan 8.370 nan 0.000 0.583 238 I N 1.646 122.205 120.570 -0.019 0.000 4.227 238 I HA 0.303 4.473 4.170 -0.000 0.000 0.334 238 I C 1.055 177.137 176.117 -0.058 0.000 1.341 238 I CA 0.190 61.464 61.300 -0.042 0.000 1.123 238 I CB 0.814 38.780 38.000 -0.056 0.000 1.097 238 I HN 0.482 nan 8.210 nan 0.000 0.399 239 G N -0.592 108.187 108.800 -0.035 0.000 4.818 239 G HA2 0.355 4.315 3.960 -0.000 0.000 0.253 239 G HA3 0.355 4.315 3.960 -0.000 0.000 0.253 239 G C 0.654 175.549 174.900 -0.009 0.000 0.986 239 G CA 0.357 45.435 45.100 -0.037 0.000 0.785 239 G HN 0.346 nan 8.290 nan 0.000 0.325 240 G N -0.131 108.626 108.800 -0.072 0.000 2.173 240 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.142 240 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.142 240 G C 0.960 175.757 174.900 -0.171 0.000 1.019 240 G CA 0.564 45.475 45.100 -0.316 0.000 0.699 240 G HN 0.432 nan 8.290 nan 0.000 0.495 241 S N -0.453 115.258 115.700 0.018 0.000 2.522 241 S HA 0.242 4.712 4.470 -0.000 0.000 0.227 241 S C 2.140 176.769 174.600 0.047 0.000 0.986 241 S CA 0.883 59.144 58.200 0.100 0.000 0.929 241 S CB -0.010 63.243 63.200 0.088 0.000 0.769 241 S HN 0.494 nan 8.310 nan 0.000 0.529 242 I N 0.344 120.909 120.570 -0.008 0.000 2.703 242 I HA 0.047 4.217 4.170 -0.000 0.000 0.259 242 I C 2.396 178.480 176.117 -0.055 0.000 1.151 242 I CA 0.714 62.009 61.300 -0.009 0.000 1.470 242 I CB 0.126 38.125 38.000 -0.000 0.000 1.112 242 I HN 0.087 nan 8.210 nan 0.000 0.437 243 R N -0.551 119.853 120.500 -0.160 0.000 2.128 243 R HA 0.058 4.398 4.340 -0.000 0.000 0.211 243 R C 2.149 178.280 176.300 -0.281 0.000 1.067 243 R CA 0.862 56.822 56.100 -0.233 0.000 1.010 243 R CB -0.199 29.909 30.300 -0.320 0.000 0.922 243 R HN 0.110 nan 8.270 nan 0.000 0.457 244 F N 1.076 120.904 119.950 -0.203 0.000 2.065 244 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 244 F C -0.655 174.872 175.800 -0.455 0.000 1.112 244 F CA 1.196 58.910 58.000 -0.477 0.000 1.212 244 F CB -1.731 36.900 39.000 -0.614 0.000 0.975 244 F HN -0.008 nan 8.300 nan 0.000 0.476 245 P HA -0.129 nan 4.420 nan 0.000 0.215 245 P C 1.822 179.172 177.300 0.083 0.000 1.153 245 P CA 2.140 65.258 63.100 0.030 0.000 0.853 245 P CB -0.059 31.669 31.700 0.048 0.000 0.788 246 S N -0.511 115.218 115.700 0.047 0.000 2.359 246 S HA -0.183 4.287 4.470 -0.000 0.000 0.224 246 S C 2.050 176.705 174.600 0.092 0.000 1.035 246 S CA 1.598 59.833 58.200 0.059 0.000 1.018 246 S CB -1.120 62.091 63.200 0.017 0.000 0.876 246 S HN 0.143 nan 8.310 nan 0.000 0.448 247 A N 0.301 123.180 122.820 0.098 0.000 1.968 247 A HA 0.059 4.379 4.320 -0.000 0.000 0.217 247 A C 1.743 179.529 177.584 0.337 0.000 1.169 247 A CA 1.075 53.220 52.037 0.180 0.000 0.638 247 A CB -0.506 18.610 19.000 0.194 0.000 0.812 247 A HN 0.457 nan 8.150 nan 0.000 0.446 248 F N -0.844 119.156 119.950 0.082 0.000 2.317 248 F HA -0.001 4.526 4.527 -0.000 0.000 0.293 248 F C 2.395 178.224 175.800 0.048 0.000 1.085 248 F CA -0.069 57.970 58.000 0.066 0.000 1.390 248 F CB -0.957 38.118 39.000 0.125 0.000 1.077 248 F HN 0.235 nan 8.300 nan 0.000 0.517 249 C N -0.808 118.686 119.300 0.322 0.000 2.634 249 C HA 0.504 4.963 4.460 -0.000 0.000 0.268 249 C C 1.728 176.945 174.990 0.379 0.000 1.322 249 C CA 0.470 59.709 59.018 0.367 0.000 1.737 249 C CB -0.753 27.172 27.740 0.309 0.000 1.976 249 C HN 0.698 nan 8.230 nan 0.000 0.547 250 G N 1.537 110.455 108.800 0.196 0.000 2.207 250 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 250 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 250 G C -0.305 174.690 174.900 0.158 0.000 1.053 250 G CA 0.351 45.530 45.100 0.131 0.000 0.764 250 G HN 0.693 nan 8.290 nan 0.000 0.495 251 I N -3.645 117.003 120.570 0.129 0.000 3.445 251 I HA 0.892 5.061 4.170 -0.000 0.000 0.303 251 I C 0.374 176.525 176.117 0.058 0.000 1.129 251 I CA -1.728 59.630 61.300 0.097 0.000 0.989 251 I CB 1.571 39.632 38.000 0.102 0.000 1.314 251 I HN 0.056 nan 8.210 nan 0.000 0.488 252 C N 1.290 120.615 119.300 0.042 0.000 2.341 252 C HA 0.909 5.369 4.460 -0.000 0.000 0.338 252 C C 0.462 175.461 174.990 0.015 0.000 1.257 252 C CA -0.169 58.862 59.018 0.022 0.000 1.883 252 C CB 0.067 27.819 27.740 0.020 0.000 2.334 252 C HN 0.972 nan 8.230 nan 0.000 0.524 253 G N 1.839 110.642 108.800 0.004 0.000 2.667 253 G HA2 0.656 4.616 3.960 -0.000 0.000 0.298 253 G HA3 0.656 4.616 3.960 -0.000 0.000 0.298 253 G C -1.916 172.982 174.900 -0.002 0.000 1.377 253 G CA -0.352 44.748 45.100 0.000 0.000 0.964 253 G HN 0.695 nan 8.290 nan 0.000 0.493 254 L N 0.890 122.117 121.223 0.005 0.000 2.376 254 L HA 0.665 5.004 4.340 -0.000 0.000 0.275 254 L C -0.138 176.741 176.870 0.016 0.000 0.987 254 L CA -0.866 53.980 54.840 0.011 0.000 0.828 254 L CB 1.821 43.895 42.059 0.025 0.000 1.249 254 L HN 0.428 nan 8.230 nan 0.000 0.409 255 K N 7.576 127.981 120.400 0.008 0.000 2.263 255 K HA 0.470 4.790 4.320 -0.000 0.000 0.282 255 K C -2.521 174.087 176.600 0.013 0.000 1.089 255 K CA -1.719 54.576 56.287 0.014 0.000 0.907 255 K CB 0.909 33.411 32.500 0.003 0.000 1.148 255 K HN 0.416 nan 8.250 nan 0.000 0.470 256 P HA 0.080 nan 4.420 nan 0.000 0.279 256 P C -0.644 176.623 177.300 -0.055 0.000 1.282 256 P CA -0.387 62.712 63.100 -0.001 0.000 0.788 256 P CB 0.273 31.996 31.700 0.038 0.000 1.139 257 T N 0.341 114.800 114.554 -0.158 0.000 2.933 257 T HA 0.083 4.433 4.350 -0.000 0.000 0.306 257 T C 1.950 176.509 174.700 -0.235 0.000 1.045 257 T CA 0.800 62.704 62.100 -0.328 0.000 1.143 257 T CB -0.171 68.196 68.868 -0.835 0.000 1.003 257 T HN 0.585 nan 8.240 nan 0.000 0.540 258 G N 1.814 110.505 108.800 -0.182 0.000 2.475 258 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 258 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 258 G C 1.048 175.946 174.900 -0.003 0.000 1.125 258 G CA 0.509 45.571 45.100 -0.063 0.000 0.755 258 G HN 0.810 nan 8.290 nan 0.000 0.565 259 N N -0.770 117.928 118.700 -0.004 0.000 2.273 259 N HA 0.118 4.857 4.740 -0.000 0.000 0.231 259 N C 1.805 177.502 175.510 0.311 0.000 1.134 259 N CA -0.405 52.746 53.050 0.168 0.000 0.856 259 N CB 0.100 38.736 38.487 0.249 0.000 1.068 259 N HN 0.029 nan 8.380 nan 0.000 0.510 260 R N 0.123 120.754 120.500 0.219 0.000 2.090 260 R HA 0.169 4.509 4.340 -0.000 0.000 0.228 260 R C 0.230 176.697 176.300 0.278 0.000 1.110 260 R CA 1.233 57.529 56.100 0.327 0.000 0.973 260 R CB 0.052 30.482 30.300 0.217 0.000 0.869 260 R HN 0.198 nan 8.270 nan 0.000 0.440 261 L N -0.419 120.926 121.223 0.202 0.000 2.322 261 L HA 0.430 4.769 4.340 -0.000 0.000 0.269 261 L C 0.147 177.120 176.870 0.172 0.000 1.012 261 L CA -1.077 53.876 54.840 0.188 0.000 0.815 261 L CB 1.688 43.839 42.059 0.154 0.000 1.295 261 L HN -0.044 nan 8.230 nan 0.000 0.438 262 S N 0.328 116.126 115.700 0.163 0.000 2.592 262 S HA 0.222 4.692 4.470 -0.000 0.000 0.271 262 S C 0.271 174.954 174.600 0.138 0.000 1.326 262 S CA -0.301 57.985 58.200 0.143 0.000 1.024 262 S CB 0.671 63.948 63.200 0.129 0.000 0.921 262 S HN 0.691 nan 8.310 nan 0.000 0.527 263 K N 2.441 122.910 120.400 0.115 0.000 2.478 263 K HA 0.242 4.562 4.320 -0.000 0.000 0.205 263 K C 1.318 177.969 176.600 0.085 0.000 1.033 263 K CA -0.137 56.211 56.287 0.102 0.000 1.091 263 K CB 0.341 32.891 32.500 0.083 0.000 0.844 263 K HN 0.442 nan 8.250 nan 0.000 0.507 264 S N 0.552 116.303 115.700 0.085 0.000 2.442 264 S HA -0.087 4.383 4.470 -0.000 0.000 0.236 264 S C 1.405 176.033 174.600 0.045 0.000 1.007 264 S CA 1.357 59.591 58.200 0.058 0.000 0.965 264 S CB 0.036 63.269 63.200 0.056 0.000 0.773 264 S HN 0.593 nan 8.310 nan 0.000 0.504 265 G N 0.157 108.998 108.800 0.068 0.000 4.100 265 G HA2 0.409 4.369 3.960 -0.000 0.000 0.294 265 G HA3 0.409 4.369 3.960 -0.000 0.000 0.294 265 G C -0.436 174.505 174.900 0.070 0.000 1.040 265 G CA -0.388 44.751 45.100 0.065 0.000 0.829 265 G HN 0.221 nan 8.290 nan 0.000 0.505 266 L N 1.089 122.340 121.223 0.047 0.000 2.367 266 L HA 0.347 4.686 4.340 -0.000 0.000 0.275 266 L C 0.602 177.514 176.870 0.070 0.000 1.129 266 L CA -0.093 54.730 54.840 -0.029 0.000 0.839 266 L CB 1.174 43.180 42.059 -0.088 0.000 1.133 266 L HN 0.008 nan 8.230 nan 0.000 0.453 267 K N 1.958 122.369 120.400 0.018 0.000 2.297 267 K HA 0.560 4.880 4.320 -0.000 0.000 0.286 267 K C 0.034 176.611 176.600 -0.039 0.000 1.053 267 K CA -0.070 56.262 56.287 0.075 0.000 0.940 267 K CB 0.682 33.204 32.500 0.038 0.000 1.019 267 K HN 0.745 nan 8.250 nan 0.000 0.475 268 G N 1.072 109.788 108.800 -0.141 0.000 2.788 268 G HA2 0.272 4.232 3.960 -0.000 0.000 0.293 268 G HA3 0.272 4.232 3.960 -0.000 0.000 0.293 268 G C 0.335 174.952 174.900 -0.471 0.000 1.305 268 G CA -0.615 44.285 45.100 -0.333 0.000 1.005 268 G HN 0.890 nan 8.290 nan 0.000 0.496 269 C N -1.278 117.837 119.300 -0.309 0.000 2.912 269 C HA 0.561 5.021 4.460 -0.000 0.000 0.274 269 C C 0.748 175.622 174.990 -0.193 0.000 1.248 269 C CA 0.103 58.983 59.018 -0.230 0.000 1.694 269 C CB -1.077 26.591 27.740 -0.121 0.000 2.024 269 C HN 0.831 nan 8.230 nan 0.000 0.605 270 V N -0.120 119.661 119.914 -0.223 0.000 2.735 270 V HA 0.775 4.895 4.120 -0.000 0.000 0.310 270 V C -1.851 174.090 176.094 -0.254 0.000 1.061 270 V CA -0.590 61.626 62.300 -0.140 0.000 0.913 270 V CB 1.748 33.618 31.823 0.079 0.000 1.005 270 V HN 0.321 nan 8.190 nan 0.000 0.428 271 Y N 3.458 123.795 120.300 0.061 0.000 2.446 271 Y HA 0.833 5.383 4.550 -0.000 0.000 0.345 271 Y C 1.111 177.039 175.900 0.046 0.000 0.984 271 Y CA 0.111 58.238 58.100 0.044 0.000 1.058 271 Y CB 2.476 40.958 38.460 0.036 0.000 1.220 271 Y HN 1.201 nan 8.280 nan 0.000 0.455 272 G N 0.872 109.805 108.800 0.222 0.000 2.213 272 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.226 272 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.226 272 G C 0.198 175.162 174.900 0.106 0.000 0.992 272 G CA -0.409 44.777 45.100 0.143 0.000 0.632 272 G HN 0.505 nan 8.290 nan 0.000 0.511 273 Q N 1.615 121.470 119.800 0.092 0.000 2.239 273 Q HA 0.270 4.610 4.340 -0.000 0.000 0.286 273 Q C 1.554 177.584 176.000 0.050 0.000 1.102 273 Q CA 1.544 57.381 55.803 0.057 0.000 0.936 273 Q CB 0.518 29.272 28.738 0.026 0.000 1.127 273 Q HN 0.675 nan 8.270 nan 0.000 0.380 274 T N -0.494 114.090 114.554 0.049 0.000 2.959 274 T HA 0.366 4.715 4.350 -0.000 0.000 0.254 274 T C 0.474 175.190 174.700 0.027 0.000 1.003 274 T CA 0.205 62.331 62.100 0.045 0.000 0.950 274 T CB 0.532 69.435 68.868 0.059 0.000 1.090 274 T HN 0.464 nan 8.240 nan 0.000 0.503 275 A N 2.095 124.925 122.820 0.018 0.000 2.316 275 A HA 0.665 4.985 4.320 -0.000 0.000 0.311 275 A C 0.047 177.605 177.584 -0.043 0.000 1.339 275 A CA -0.580 51.455 52.037 -0.004 0.000 0.960 275 A CB -0.488 18.516 19.000 0.007 0.000 1.152 275 A HN 0.997 nan 8.150 nan 0.000 0.547 276 V N 2.715 122.597 119.914 -0.053 0.000 3.144 276 V HA -0.131 3.988 4.120 -0.000 0.000 0.452 276 V C -0.579 175.485 176.094 -0.051 0.000 0.682 276 V CA -0.029 62.226 62.300 -0.075 0.000 1.986 276 V CB -1.302 30.450 31.823 -0.118 0.000 2.461 276 V HN 0.968 nan 8.190 nan 0.000 0.493 277 Q N 3.172 122.948 119.800 -0.041 0.000 2.278 277 Q HA 0.588 4.928 4.340 -0.000 0.000 0.257 277 Q C -0.103 175.885 176.000 -0.019 0.000 0.928 277 Q CA -0.794 54.996 55.803 -0.021 0.000 0.932 277 Q CB 2.145 30.872 28.738 -0.019 0.000 1.221 277 Q HN 0.708 nan 8.270 nan 0.000 0.434 278 L N 2.391 123.611 121.223 -0.006 0.000 2.439 278 L HA 0.205 4.545 4.340 -0.000 0.000 0.269 278 L C -0.462 176.415 176.870 0.012 0.000 1.179 278 L CA 0.743 55.583 54.840 0.000 0.000 0.828 278 L CB 0.761 42.826 42.059 0.009 0.000 1.106 278 L HN 0.726 nan 8.230 nan 0.000 0.467 279 S N 3.849 119.560 115.700 0.019 0.000 2.537 279 S HA 0.705 5.175 4.470 -0.000 0.000 0.271 279 S C -0.963 173.678 174.600 0.068 0.000 1.148 279 S CA -1.082 57.142 58.200 0.041 0.000 0.868 279 S CB 1.008 64.223 63.200 0.025 0.000 1.115 279 S HN 0.662 nan 8.310 nan 0.000 0.461 280 L N -0.338 120.955 121.223 0.116 0.000 2.334 280 L HA 1.098 5.438 4.340 -0.000 0.000 0.272 280 L C 0.248 177.209 176.870 0.151 0.000 1.020 280 L CA -0.562 54.396 54.840 0.197 0.000 0.812 280 L CB 1.178 43.454 42.059 0.362 0.000 1.264 280 L HN 1.088 nan 8.230 nan 0.000 0.439 281 G N 0.371 109.253 108.800 0.137 0.000 2.506 281 G HA2 0.619 4.579 3.960 -0.000 0.000 0.292 281 G HA3 0.619 4.579 3.960 -0.000 0.000 0.292 281 G C -3.356 171.563 174.900 0.032 0.000 1.425 281 G CA -1.052 44.090 45.100 0.070 0.000 0.788 281 G HN 0.451 nan 8.290 nan 0.000 0.490 282 P HA 0.579 nan 4.420 nan 0.000 0.281 282 P C -0.659 176.634 177.300 -0.012 0.000 1.249 282 P CA -0.316 62.769 63.100 -0.024 0.000 0.810 282 P CB 1.073 32.751 31.700 -0.037 0.000 1.008 283 M N 1.691 121.279 119.600 -0.020 0.000 2.267 283 M HA 0.715 5.194 4.480 -0.000 0.000 0.289 283 M C -0.809 175.486 176.300 -0.009 0.000 1.043 283 M CA -0.213 55.084 55.300 -0.005 0.000 0.928 283 M CB 2.479 35.083 32.600 0.006 0.000 1.613 283 M HN 0.461 nan 8.290 nan 0.000 0.450 284 A N 2.419 125.243 122.820 0.006 0.000 2.564 284 A HA 0.631 4.951 4.320 -0.000 0.000 0.291 284 A C -0.226 177.377 177.584 0.031 0.000 1.102 284 A CA -0.729 51.313 52.037 0.009 0.000 0.660 284 A CB 1.366 20.362 19.000 -0.007 0.000 1.283 284 A HN 0.900 nan 8.150 nan 0.000 0.430 285 R N 0.049 120.573 120.500 0.040 0.000 2.062 285 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 285 R C -0.156 176.173 176.300 0.050 0.000 1.128 285 R CA 1.630 57.765 56.100 0.058 0.000 0.960 285 R CB -0.104 30.236 30.300 0.067 0.000 0.855 285 R HN 0.877 nan 8.270 nan 0.000 0.432 286 D N -0.193 120.231 120.400 0.041 0.000 2.272 286 D HA 0.033 4.673 4.640 -0.000 0.000 0.247 286 D C 0.858 177.180 176.300 0.036 0.000 0.990 286 D CA -0.397 53.627 54.000 0.040 0.000 0.931 286 D CB 2.004 42.831 40.800 0.045 0.000 1.195 286 D HN -0.075 nan 8.370 nan 0.000 0.477 287 V N -0.243 119.700 119.914 0.048 0.000 3.041 287 V HA -0.147 3.973 4.120 -0.000 0.000 0.260 287 V C 1.565 177.704 176.094 0.075 0.000 1.105 287 V CA 1.451 63.786 62.300 0.059 0.000 1.125 287 V CB -0.667 31.198 31.823 0.071 0.000 0.730 287 V HN 0.451 nan 8.190 nan 0.000 0.479 288 E N 1.478 121.734 120.200 0.093 0.000 2.072 288 E HA -0.111 4.238 4.350 -0.000 0.000 0.191 288 E C 2.405 179.006 176.600 0.001 0.000 0.985 288 E CA 1.757 58.215 56.400 0.095 0.000 0.801 288 E CB -0.312 29.454 29.700 0.109 0.000 0.750 288 E HN 0.827 nan 8.360 nan 0.000 0.452 289 S N 0.865 116.562 115.700 -0.004 0.000 2.383 289 S HA -0.154 4.315 4.470 -0.000 0.000 0.229 289 S C 2.017 176.574 174.600 -0.070 0.000 1.030 289 S CA 0.916 59.094 58.200 -0.036 0.000 1.002 289 S CB -0.425 62.762 63.200 -0.020 0.000 0.829 289 S HN 0.164 nan 8.310 nan 0.000 0.467 290 L N 1.353 122.542 121.223 -0.057 0.000 2.046 290 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 290 L C 2.979 179.764 176.870 -0.142 0.000 1.077 290 L CA 1.295 56.093 54.840 -0.070 0.000 0.747 290 L CB -0.899 41.144 42.059 -0.028 0.000 0.896 290 L HN 0.407 nan 8.230 nan 0.000 0.432 291 A N -0.310 122.378 122.820 -0.220 0.000 2.014 291 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 291 A C 2.304 179.515 177.584 -0.621 0.000 1.163 291 A CA 0.997 52.745 52.037 -0.483 0.000 0.652 291 A CB -0.421 18.119 19.000 -0.767 0.000 0.808 291 A HN 0.351 nan 8.150 nan 0.000 0.449 292 L N -1.038 119.976 121.223 -0.348 0.000 1.973 292 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 292 L C 2.721 179.435 176.870 -0.261 0.000 1.073 292 L CA 1.743 56.412 54.840 -0.286 0.000 0.746 292 L CB -0.550 41.420 42.059 -0.149 0.000 0.891 292 L HN 0.549 nan 8.230 nan 0.000 0.433 293 C N 0.140 119.330 119.300 -0.184 0.000 2.375 293 C HA -0.258 4.202 4.460 -0.000 0.000 0.274 293 C C 2.781 177.685 174.990 -0.144 0.000 1.190 293 C CA 1.022 59.955 59.018 -0.141 0.000 1.775 293 C CB -1.013 26.662 27.740 -0.107 0.000 2.067 293 C HN 0.500 nan 8.230 nan 0.000 0.463 294 L N 0.247 121.366 121.223 -0.173 0.000 2.131 294 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 294 L C 2.586 179.352 176.870 -0.174 0.000 1.092 294 L CA 2.063 56.838 54.840 -0.108 0.000 0.759 294 L CB -0.814 41.247 42.059 0.004 0.000 0.903 294 L HN 0.506 nan 8.230 nan 0.000 0.435 295 K N -0.514 119.595 120.400 -0.484 0.000 2.228 295 K HA -0.051 4.269 4.320 -0.000 0.000 0.202 295 K C 2.010 178.511 176.600 -0.165 0.000 1.051 295 K CA 0.886 56.930 56.287 -0.404 0.000 0.960 295 K CB 0.156 32.271 32.500 -0.642 0.000 0.743 295 K HN 0.256 nan 8.250 nan 0.000 0.458 296 A N 0.707 123.432 122.820 -0.158 0.000 1.897 296 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 296 A C 1.820 179.355 177.584 -0.081 0.000 1.181 296 A CA 0.947 52.926 52.037 -0.097 0.000 0.620 296 A CB -0.318 18.627 19.000 -0.092 0.000 0.821 296 A HN 0.227 nan 8.150 nan 0.000 0.443 297 L N -0.912 120.264 121.223 -0.078 0.000 2.179 297 L HA 0.093 4.433 4.340 -0.000 0.000 0.208 297 L C 0.690 177.498 176.870 -0.104 0.000 1.096 297 L CA 0.895 55.694 54.840 -0.067 0.000 0.779 297 L CB -0.725 41.316 42.059 -0.029 0.000 0.922 297 L HN 0.203 nan 8.230 nan 0.000 0.443 298 L N 0.780 121.975 121.223 -0.047 0.000 2.648 298 L HA 0.161 4.500 4.340 -0.000 0.000 0.238 298 L C 0.115 176.866 176.870 -0.200 0.000 1.316 298 L CA -0.326 54.503 54.840 -0.018 0.000 1.241 298 L CB -1.114 41.123 42.059 0.297 0.000 1.499 298 L HN 0.313 nan 8.230 nan 0.000 0.411 299 C N -2.990 115.964 119.300 -0.577 0.000 2.848 299 C HA 0.783 5.243 4.460 -0.000 0.000 0.317 299 C C 1.834 176.461 174.990 -0.605 0.000 1.260 299 C CA -0.254 58.531 59.018 -0.388 0.000 1.656 299 C CB 1.153 28.791 27.740 -0.169 0.000 2.174 299 C HN 0.615 nan 8.230 nan 0.000 0.479 300 E N -0.400 119.673 120.200 -0.211 0.000 2.169 300 E HA -0.296 4.054 4.350 -0.000 0.000 0.202 300 E C 1.665 178.181 176.600 -0.140 0.000 1.016 300 E CA 2.498 58.843 56.400 -0.093 0.000 0.817 300 E CB -1.177 28.465 29.700 -0.096 0.000 0.736 300 E HN 0.905 nan 8.360 nan 0.000 0.462 301 H N -0.842 118.148 119.070 -0.135 0.000 2.352 301 H HA -0.020 4.535 4.556 -0.000 0.000 0.299 301 H C 2.382 177.627 175.328 -0.139 0.000 1.097 301 H CA 1.689 57.671 56.048 -0.111 0.000 1.311 301 H CB -0.389 29.312 29.762 -0.102 0.000 1.377 301 H HN 0.430 nan 8.280 nan 0.000 0.504 302 L N -0.027 121.091 121.223 -0.175 0.000 2.179 302 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 302 L C 1.462 178.295 176.870 -0.061 0.000 1.096 302 L CA 0.780 55.502 54.840 -0.196 0.000 0.779 302 L CB -0.164 41.685 42.059 -0.351 0.000 0.922 302 L HN -0.020 nan 8.230 nan 0.000 0.443 303 F N -1.483 118.501 119.950 0.057 0.000 2.780 303 F HA 0.074 4.601 4.527 -0.000 0.000 0.299 303 F C 2.232 178.051 175.800 0.031 0.000 1.146 303 F CA 0.494 58.517 58.000 0.038 0.000 1.428 303 F CB -1.278 37.735 39.000 0.021 0.000 1.115 303 F HN -0.037 nan 8.300 nan 0.000 0.583 304 T N -0.000 114.648 114.554 0.156 0.000 2.925 304 T HA 0.199 4.548 4.350 -0.000 0.000 0.245 304 T C 0.840 175.592 174.700 0.088 0.000 1.025 304 T CA 0.255 62.419 62.100 0.108 0.000 1.149 304 T CB -0.219 68.699 68.868 0.082 0.000 0.866 304 T HN -0.109 nan 8.240 nan 0.000 0.437 305 L N 3.165 124.435 121.223 0.078 0.000 2.407 305 L HA 0.330 4.669 4.340 -0.000 0.000 0.282 305 L C -0.437 176.475 176.870 0.071 0.000 1.110 305 L CA -0.248 54.628 54.840 0.059 0.000 0.863 305 L CB -0.288 41.793 42.059 0.036 0.000 1.207 305 L HN 0.191 nan 8.230 nan 0.000 0.454 306 D N 2.987 123.431 120.400 0.074 0.000 3.975 306 D HA -0.081 4.559 4.640 -0.000 0.000 0.251 306 D C -2.082 174.290 176.300 0.121 0.000 1.046 306 D CA -0.155 53.900 54.000 0.091 0.000 1.135 306 D CB 0.192 41.050 40.800 0.097 0.000 0.911 306 D HN 0.301 nan 8.370 nan 0.000 0.415 307 P HA 0.051 nan 4.420 nan 0.000 0.256 307 P C 1.235 178.575 177.300 0.066 0.000 1.335 307 P CA 0.633 63.786 63.100 0.089 0.000 0.808 307 P CB 0.133 31.869 31.700 0.060 0.000 1.305 308 T N -4.670 109.930 114.554 0.077 0.000 3.009 308 T HA 0.052 4.402 4.350 -0.000 0.000 0.258 308 T C 0.864 175.613 174.700 0.082 0.000 1.063 308 T CA 0.117 62.257 62.100 0.067 0.000 1.139 308 T CB -0.848 68.060 68.868 0.068 0.000 0.890 308 T HN -0.186 nan 8.240 nan 0.000 0.471 309 V N 4.705 124.694 119.914 0.125 0.000 2.557 309 V HA 0.179 4.298 4.120 -0.000 0.000 0.301 309 V C -2.110 173.998 176.094 0.024 0.000 1.026 309 V CA -1.388 61.004 62.300 0.153 0.000 1.137 309 V CB 0.062 32.049 31.823 0.274 0.000 0.917 309 V HN 0.389 nan 8.190 nan 0.000 0.484 310 P HA 0.174 nan 4.420 nan 0.000 0.271 310 P C -2.412 174.578 177.300 -0.517 0.000 1.226 310 P CA -1.546 61.389 63.100 -0.276 0.000 0.765 310 P CB -0.019 31.434 31.700 -0.410 0.000 0.835 311 P HA 0.114 nan 4.420 nan 0.000 0.241 311 P C -0.791 175.922 177.300 -0.979 0.000 1.760 311 P CA 0.263 62.459 63.100 -1.506 0.000 1.081 311 P CB -0.112 31.096 31.700 -0.820 0.000 1.975 312 L N 4.908 125.697 121.223 -0.723 0.000 2.264 312 L HA 0.396 4.736 4.340 -0.000 0.000 0.287 312 L C -1.729 175.172 176.870 0.052 0.000 1.039 312 L CA -2.318 52.374 54.840 -0.246 0.000 0.829 312 L CB 1.270 43.237 42.059 -0.154 0.000 1.211 312 L HN 0.071 nan 8.230 nan 0.000 0.427 313 P HA -0.061 nan 4.420 nan 0.000 0.271 313 P C -0.479 176.958 177.300 0.228 0.000 1.233 313 P CA -0.336 62.925 63.100 0.269 0.000 0.789 313 P CB 0.596 32.410 31.700 0.190 0.000 0.951 314 F N 1.994 122.013 119.950 0.116 0.000 2.519 314 F HA 0.068 4.594 4.527 -0.000 0.000 0.375 314 F C 1.214 177.057 175.800 0.071 0.000 1.084 314 F CA 0.071 58.116 58.000 0.075 0.000 1.147 314 F CB 0.123 39.148 39.000 0.041 0.000 1.088 314 F HN 0.108 nan 8.300 nan 0.000 0.555 315 R N 4.973 125.331 120.500 -0.237 0.000 2.429 315 R HA -0.004 4.335 4.340 -0.000 0.000 0.302 315 R C 1.200 177.425 176.300 -0.125 0.000 1.268 315 R CA -0.115 55.910 56.100 -0.126 0.000 1.090 315 R CB 0.310 30.536 30.300 -0.123 0.000 1.102 315 R HN 0.672 nan 8.270 nan 0.000 0.522 316 E N 2.904 123.193 120.200 0.148 0.000 2.160 316 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 316 E C 1.479 178.190 176.600 0.185 0.000 0.991 316 E CA 1.712 58.295 56.400 0.305 0.000 0.810 316 E CB 0.276 30.156 29.700 0.301 0.000 0.742 316 E HN 0.556 nan 8.360 nan 0.000 0.466 317 E N 0.044 120.300 120.200 0.092 0.000 2.038 317 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 317 E C 2.155 178.775 176.600 0.033 0.000 1.000 317 E CA 1.760 58.190 56.400 0.051 0.000 0.803 317 E CB -0.717 29.000 29.700 0.028 0.000 0.750 317 E HN 0.281 nan 8.360 nan 0.000 0.448 318 V N 0.532 120.453 119.914 0.012 0.000 2.548 318 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 318 V C 2.305 178.428 176.094 0.049 0.000 1.055 318 V CA 1.601 63.902 62.300 0.002 0.000 1.065 318 V CB -0.908 30.892 31.823 -0.039 0.000 0.681 318 V HN 0.206 nan 8.190 nan 0.000 0.462 319 Y N 1.434 121.697 120.300 -0.061 0.000 2.220 319 Y HA -0.071 4.479 4.550 -0.000 0.000 0.291 319 Y C 2.523 178.470 175.900 0.078 0.000 1.129 319 Y CA 1.478 59.593 58.100 0.025 0.000 1.161 319 Y CB -0.084 38.450 38.460 0.124 0.000 0.997 319 Y HN 0.016 nan 8.280 nan 0.000 0.522 320 R N 0.351 120.789 120.500 -0.104 0.000 2.299 320 R HA 0.055 4.395 4.340 -0.000 0.000 0.197 320 R C 1.038 177.270 176.300 -0.113 0.000 0.971 320 R CA 0.482 56.469 56.100 -0.188 0.000 1.030 320 R CB -0.344 29.936 30.300 -0.032 0.000 0.932 320 R HN 0.206 nan 8.270 nan 0.000 0.477 321 S N 0.713 116.376 115.700 -0.062 0.000 2.573 321 S HA 0.018 4.488 4.470 -0.000 0.000 0.277 321 S C 0.914 175.504 174.600 -0.017 0.000 1.346 321 S CA 0.000 58.186 58.200 -0.023 0.000 1.034 321 S CB 0.688 63.887 63.200 -0.001 0.000 0.879 321 S HN 0.344 nan 8.310 nan 0.000 0.528 322 S N 0.842 116.545 115.700 0.005 0.000 3.009 322 S HA 0.333 4.803 4.470 -0.000 0.000 0.254 322 S C 0.511 175.133 174.600 0.036 0.000 1.004 322 S CA -0.094 58.120 58.200 0.025 0.000 1.119 322 S CB -0.275 62.930 63.200 0.008 0.000 1.075 322 S HN 1.041 nan 8.310 nan 0.000 0.618 323 R N 3.192 123.712 120.500 0.032 0.000 2.583 323 R HA 0.484 4.824 4.340 -0.000 0.000 0.274 323 R C -2.390 173.955 176.300 0.075 0.000 0.998 323 R CA -0.788 55.331 56.100 0.033 0.000 1.081 323 R CB -1.632 28.683 30.300 0.024 0.000 0.940 323 R HN 0.445 nan 8.270 nan 0.000 0.413 324 P HA 0.166 nan 4.420 nan 0.000 0.269 324 P C -0.736 176.665 177.300 0.168 0.000 1.217 324 P CA -0.105 63.053 63.100 0.097 0.000 0.783 324 P CB 0.492 32.163 31.700 -0.049 0.000 0.898 325 L N 1.844 123.256 121.223 0.315 0.000 2.365 325 L HA 0.448 4.788 4.340 -0.000 0.000 0.273 325 L C 0.940 177.827 176.870 0.028 0.000 1.000 325 L CA -0.897 53.999 54.840 0.094 0.000 0.819 325 L CB 1.912 43.945 42.059 -0.043 0.000 1.284 325 L HN 0.165 nan 8.230 nan 0.000 0.418 326 R N 2.492 122.957 120.500 -0.057 0.000 2.612 326 R HA 0.221 4.560 4.340 -0.000 0.000 0.273 326 R C -0.885 175.287 176.300 -0.214 0.000 1.376 326 R CA -0.366 55.672 56.100 -0.104 0.000 1.171 326 R CB 0.008 30.240 30.300 -0.113 0.000 1.151 326 R HN 0.286 nan 8.270 nan 0.000 0.560 327 V N 2.842 122.646 119.914 -0.183 0.000 2.387 327 V HA 0.138 4.257 4.120 -0.000 0.000 0.260 327 V C 1.250 177.255 176.094 -0.148 0.000 1.054 327 V CA -0.528 61.614 62.300 -0.263 0.000 0.967 327 V CB 0.930 32.640 31.823 -0.189 0.000 1.036 327 V HN 0.781 nan 8.190 nan 0.000 0.481 328 G N 4.837 113.466 108.800 -0.286 0.000 2.432 328 G HA2 0.349 4.309 3.960 -0.000 0.000 0.239 328 G HA3 0.349 4.309 3.960 -0.000 0.000 0.239 328 G C -0.748 174.197 174.900 0.075 0.000 1.291 328 G CA 0.001 45.005 45.100 -0.160 0.000 0.863 328 G HN 0.924 nan 8.290 nan 0.000 0.560 329 Y N 0.583 120.917 120.300 0.057 0.000 2.581 329 Y HA 0.742 5.292 4.550 -0.000 0.000 0.345 329 Y C -1.127 174.903 175.900 0.216 0.000 1.036 329 Y CA -2.098 56.040 58.100 0.064 0.000 1.042 329 Y CB 1.612 40.101 38.460 0.048 0.000 1.289 329 Y HN 0.780 nan 8.280 nan 0.000 0.471 330 Y N -0.581 119.796 120.300 0.127 0.000 2.534 330 Y HA 0.584 5.134 4.550 -0.000 0.000 0.345 330 Y C 0.104 176.145 175.900 0.236 0.000 1.031 330 Y CA -1.265 56.869 58.100 0.057 0.000 1.022 330 Y CB 1.979 40.469 38.460 0.050 0.000 1.292 330 Y HN 0.732 nan 8.280 nan 0.000 0.459 331 E N 0.613 121.075 120.200 0.437 0.000 2.158 331 E HA 0.016 4.365 4.350 -0.000 0.000 0.191 331 E C 0.029 176.873 176.600 0.407 0.000 0.982 331 E CA 1.314 57.929 56.400 0.357 0.000 0.823 331 E CB 0.427 30.301 29.700 0.291 0.000 0.766 331 E HN 0.659 nan 8.360 nan 0.000 0.468 332 T N -0.520 114.337 114.554 0.505 0.000 2.853 332 T HA 0.068 4.418 4.350 -0.000 0.000 0.311 332 T C -1.046 173.861 174.700 0.346 0.000 1.307 332 T CA -0.672 61.757 62.100 0.549 0.000 1.019 332 T CB 1.388 70.525 68.868 0.450 0.000 1.264 332 T HN 0.001 nan 8.240 nan 0.000 0.497 333 D N 1.616 122.210 120.400 0.323 0.000 2.349 333 D HA 0.078 4.718 4.640 -0.000 0.000 0.215 333 D C 0.482 176.768 176.300 -0.024 0.000 1.016 333 D CA 0.141 54.089 54.000 -0.087 0.000 0.870 333 D CB -0.770 39.869 40.800 -0.269 0.000 0.917 333 D HN 0.796 nan 8.370 nan 0.000 0.524 334 N N -1.746 117.003 118.700 0.082 0.000 2.735 334 N HA -0.298 4.441 4.740 -0.000 0.000 0.248 334 N C -0.549 175.065 175.510 0.174 0.000 1.083 334 N CA 0.932 53.920 53.050 -0.104 0.000 0.703 334 N CB -1.761 36.565 38.487 -0.268 0.000 1.005 334 N HN 0.406 nan 8.380 nan 0.000 0.550 335 Y N -0.946 119.532 120.300 0.298 0.000 3.312 335 Y HA 0.248 4.798 4.550 -0.000 0.000 0.180 335 Y C 0.396 176.582 175.900 0.477 0.000 0.891 335 Y CA 0.425 58.762 58.100 0.394 0.000 1.762 335 Y CB 0.578 39.094 38.460 0.093 0.000 1.441 335 Y HN -0.008 nan 8.280 nan 0.000 0.362 336 T N 4.296 119.149 114.554 0.499 0.000 2.729 336 T HA 0.217 4.567 4.350 -0.000 0.000 0.296 336 T C -0.099 174.870 174.700 0.447 0.000 0.928 336 T CA -0.295 62.059 62.100 0.424 0.000 1.045 336 T CB 0.243 69.345 68.868 0.391 0.000 0.902 336 T HN 0.175 nan 8.240 nan 0.000 0.500 337 M N 5.281 124.970 119.600 0.149 0.000 2.269 337 M HA 0.131 4.611 4.480 -0.000 0.000 0.350 337 M C -2.178 174.294 176.300 0.287 0.000 1.429 337 M CA -1.556 53.664 55.300 -0.134 0.000 1.063 337 M CB 0.534 32.685 32.600 -0.749 0.000 1.841 337 M HN 0.236 nan 8.290 nan 0.000 0.455 338 P HA 0.012 nan 4.420 nan 0.000 0.267 338 P C -0.643 176.831 177.300 0.290 0.000 1.205 338 P CA -0.102 63.153 63.100 0.259 0.000 0.765 338 P CB 0.399 32.222 31.700 0.204 0.000 0.828 339 S N 4.368 120.192 115.700 0.206 0.000 2.566 339 S HA 0.078 4.548 4.470 -0.000 0.000 0.280 339 S C -1.459 173.201 174.600 0.101 0.000 1.343 339 S CA -0.556 57.711 58.200 0.112 0.000 1.036 339 S CB -0.289 62.892 63.200 -0.031 0.000 0.866 339 S HN 0.267 nan 8.310 nan 0.000 0.526 340 P HA -0.168 nan 4.420 nan 0.000 0.215 340 P C 1.642 178.958 177.300 0.027 0.000 1.163 340 P CA 2.344 65.479 63.100 0.058 0.000 0.894 340 P CB -0.331 31.394 31.700 0.041 0.000 0.791 341 A N -1.695 121.124 122.820 -0.001 0.000 1.969 341 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 341 A C 2.260 179.834 177.584 -0.017 0.000 1.169 341 A CA 1.698 53.723 52.037 -0.020 0.000 0.635 341 A CB -1.376 17.595 19.000 -0.048 0.000 0.810 341 A HN 0.118 nan 8.150 nan 0.000 0.445 342 M N -1.207 118.389 119.600 -0.007 0.000 2.086 342 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 342 M C 2.369 178.672 176.300 0.006 0.000 1.067 342 M CA 2.117 57.410 55.300 -0.012 0.000 1.116 342 M CB -0.190 32.403 32.600 -0.011 0.000 1.348 342 M HN 0.540 nan 8.290 nan 0.000 0.407 343 R N 0.195 120.719 120.500 0.039 0.000 2.075 343 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 343 R C 2.165 178.492 176.300 0.045 0.000 1.126 343 R CA 1.731 57.869 56.100 0.064 0.000 0.963 343 R CB -0.347 30.005 30.300 0.087 0.000 0.858 343 R HN 0.235 nan 8.270 nan 0.000 0.435 344 R N -0.108 120.408 120.500 0.026 0.000 2.073 344 R HA -0.018 4.322 4.340 -0.000 0.000 0.229 344 R C 2.140 178.439 176.300 -0.002 0.000 1.120 344 R CA 1.297 57.404 56.100 0.012 0.000 0.967 344 R CB -0.379 29.924 30.300 0.005 0.000 0.862 344 R HN 0.345 nan 8.270 nan 0.000 0.436 345 A N 2.065 124.879 122.820 -0.011 0.000 1.859 345 A HA -0.222 4.097 4.320 -0.000 0.000 0.217 345 A C 2.136 179.707 177.584 -0.021 0.000 1.198 345 A CA 1.474 53.496 52.037 -0.024 0.000 0.629 345 A CB -0.978 18.001 19.000 -0.034 0.000 0.830 345 A HN 0.402 nan 8.150 nan 0.000 0.446 346 L N -0.113 121.106 121.223 -0.008 0.000 1.971 346 L HA -0.211 4.128 4.340 -0.000 0.000 0.215 346 L C 2.501 179.371 176.870 0.000 0.000 1.072 346 L CA 2.460 57.305 54.840 0.008 0.000 0.758 346 L CB -0.990 41.097 42.059 0.048 0.000 0.889 346 L HN 0.507 nan 8.230 nan 0.000 0.433 347 I N -0.032 120.544 120.570 0.010 0.000 2.194 347 I HA -0.362 3.808 4.170 -0.000 0.000 0.246 347 I C 2.522 178.617 176.117 -0.037 0.000 1.093 347 I CA 1.532 62.824 61.300 -0.013 0.000 1.355 347 I CB -0.164 37.845 38.000 0.014 0.000 1.046 347 I HN 0.397 nan 8.210 nan 0.000 0.413 348 E N -0.179 120.006 120.200 -0.025 0.000 2.051 348 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 348 E C 2.194 178.773 176.600 -0.035 0.000 0.991 348 E CA 1.974 58.358 56.400 -0.028 0.000 0.799 348 E CB -0.155 29.532 29.700 -0.022 0.000 0.748 348 E HN 0.524 nan 8.360 nan 0.000 0.449 349 T N 0.055 114.585 114.554 -0.040 0.000 2.951 349 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 349 T C 1.816 176.490 174.700 -0.042 0.000 1.073 349 T CA 0.986 63.059 62.100 -0.045 0.000 1.134 349 T CB -0.008 68.821 68.868 -0.066 0.000 0.884 349 T HN -0.040 nan 8.240 nan 0.000 0.479 350 K N 0.486 120.846 120.400 -0.066 0.000 2.063 350 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 350 K C 2.418 178.954 176.600 -0.107 0.000 1.048 350 K CA 1.721 57.928 56.287 -0.132 0.000 0.928 350 K CB -0.195 32.142 32.500 -0.271 0.000 0.713 350 K HN 0.542 nan 8.250 nan 0.000 0.442 351 Q N -0.610 119.144 119.800 -0.076 0.000 2.137 351 Q HA -0.018 4.322 4.340 -0.000 0.000 0.198 351 Q C 2.130 178.120 176.000 -0.017 0.000 0.960 351 Q CA 0.575 56.347 55.803 -0.051 0.000 0.847 351 Q CB 0.156 28.869 28.738 -0.042 0.000 0.915 351 Q HN 0.164 nan 8.270 nan 0.000 0.448 352 R N 0.518 121.013 120.500 -0.008 0.000 2.092 352 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 352 R C 2.175 178.510 176.300 0.058 0.000 1.119 352 R CA 0.843 56.951 56.100 0.013 0.000 0.970 352 R CB -0.523 29.777 30.300 0.001 0.000 0.864 352 R HN 0.299 nan 8.270 nan 0.000 0.440 353 L N 0.438 121.707 121.223 0.077 0.000 2.093 353 L HA -0.111 4.228 4.340 -0.000 0.000 0.208 353 L C 2.351 179.361 176.870 0.234 0.000 1.085 353 L CA 1.215 56.178 54.840 0.204 0.000 0.755 353 L CB -0.299 41.846 42.059 0.142 0.000 0.904 353 L HN 0.199 nan 8.230 nan 0.000 0.435 354 E N -0.048 120.206 120.200 0.090 0.000 2.107 354 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 354 E C 2.295 178.907 176.600 0.020 0.000 0.982 354 E CA 0.953 57.379 56.400 0.044 0.000 0.809 354 E CB -0.027 29.671 29.700 -0.003 0.000 0.756 354 E HN 0.473 nan 8.360 nan 0.000 0.459 355 A N 0.920 123.752 122.820 0.019 0.000 1.933 355 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 355 A C 2.069 179.648 177.584 -0.007 0.000 1.175 355 A CA 1.555 53.594 52.037 0.004 0.000 0.628 355 A CB -0.225 18.779 19.000 0.006 0.000 0.814 355 A HN 0.254 nan 8.150 nan 0.000 0.444 356 A N -2.076 120.750 122.820 0.010 0.000 2.462 356 A HA 0.482 4.801 4.320 -0.000 0.000 0.261 356 A C 1.462 178.900 177.584 -0.243 0.000 1.323 356 A CA 0.973 52.986 52.037 -0.041 0.000 0.913 356 A CB -0.820 18.211 19.000 0.052 0.000 1.028 356 A HN 1.750 nan 8.150 nan 0.000 0.511 357 G N -0.888 107.784 108.800 -0.214 0.000 2.307 357 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.210 357 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.210 357 G C 0.066 174.812 174.900 -0.257 0.000 1.005 357 G CA 0.025 44.965 45.100 -0.265 0.000 0.634 357 G HN 0.722 nan 8.290 nan 0.000 0.496 358 H N 1.545 120.621 119.070 0.010 0.000 2.764 358 H HA 0.511 5.067 4.556 -0.000 0.000 0.341 358 H C 0.824 176.150 175.328 -0.004 0.000 1.072 358 H CA 0.877 56.928 56.048 0.006 0.000 1.444 358 H CB 1.089 30.869 29.762 0.030 0.000 1.458 358 H HN 0.207 nan 8.280 nan 0.000 0.572 359 T N 3.890 118.499 114.554 0.092 0.000 2.832 359 T HA 0.174 4.524 4.350 -0.000 0.000 0.296 359 T C -0.244 174.488 174.700 0.054 0.000 0.968 359 T CA -0.860 61.269 62.100 0.049 0.000 1.107 359 T CB 0.070 68.951 68.868 0.021 0.000 0.916 359 T HN 0.301 nan 8.240 nan 0.000 0.517 360 L N 6.468 127.726 121.223 0.059 0.000 2.295 360 L HA 0.506 4.846 4.340 -0.000 0.000 0.281 360 L C -0.499 176.503 176.870 0.219 0.000 1.018 360 L CA -0.501 54.396 54.840 0.095 0.000 0.841 360 L CB 1.008 43.049 42.059 -0.031 0.000 1.218 360 L HN 0.744 nan 8.230 nan 0.000 0.424 361 I N 5.936 126.656 120.570 0.250 0.000 2.362 361 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 361 I C -2.107 174.099 176.117 0.148 0.000 0.994 361 I CA -1.948 59.465 61.300 0.187 0.000 1.158 361 I CB 1.753 39.779 38.000 0.042 0.000 1.315 361 I HN 0.345 nan 8.210 nan 0.000 0.451 362 P HA 0.044 nan 4.420 nan 0.000 0.262 362 P C -1.079 176.182 177.300 -0.065 0.000 1.199 362 P CA 0.436 63.321 63.100 -0.359 0.000 0.763 362 P CB 0.060 31.639 31.700 -0.202 0.000 0.790 363 F N 5.173 124.982 119.950 -0.235 0.000 2.569 363 F HA 0.651 5.178 4.527 -0.000 0.000 0.312 363 F C -1.603 174.222 175.800 0.043 0.000 1.109 363 F CA -1.122 56.830 58.000 -0.081 0.000 0.919 363 F CB 1.492 40.439 39.000 -0.088 0.000 1.211 363 F HN 0.086 nan 8.300 nan 0.000 0.446 364 L N 7.914 128.723 121.223 -0.691 0.000 2.516 364 L HA 0.621 4.961 4.340 -0.000 0.000 0.267 364 L C -2.733 173.685 176.870 -0.754 0.000 0.957 364 L CA -1.690 52.790 54.840 -0.600 0.000 0.860 364 L CB 1.990 43.791 42.059 -0.431 0.000 1.265 364 L HN 0.327 nan 8.230 nan 0.000 0.403 365 P HA 0.150 nan 4.420 nan 0.000 0.265 365 P C -1.133 176.045 177.300 -0.203 0.000 1.193 365 P CA -0.011 62.900 63.100 -0.316 0.000 0.765 365 P CB 0.155 31.831 31.700 -0.040 0.000 0.823 366 N N 2.224 120.836 118.700 -0.147 0.000 2.356 366 N HA -0.103 4.637 4.740 -0.000 0.000 0.252 366 N C -0.388 175.190 175.510 0.114 0.000 1.241 366 N CA -0.113 52.909 53.050 -0.047 0.000 0.861 366 N CB -0.698 37.765 38.487 -0.040 0.000 1.075 366 N HN 0.369 nan 8.380 nan 0.000 0.461 367 N N 0.321 119.066 118.700 0.074 0.000 2.783 367 N HA -0.186 4.554 4.740 -0.000 0.000 0.247 367 N C 0.094 175.670 175.510 0.109 0.000 1.089 367 N CA 0.604 53.731 53.050 0.127 0.000 0.690 367 N CB -1.213 37.373 38.487 0.165 0.000 0.991 367 N HN 0.598 nan 8.380 nan 0.000 0.552 368 I N 0.182 120.761 120.570 0.015 0.000 2.151 368 I HA -0.210 3.959 4.170 -0.000 0.000 0.243 368 I C -0.537 175.489 176.117 -0.152 0.000 1.080 368 I CA 1.538 62.778 61.300 -0.100 0.000 1.339 368 I CB -0.768 37.139 38.000 -0.155 0.000 1.039 368 I HN 0.226 nan 8.210 nan 0.000 0.409 369 P HA -0.205 nan 4.420 nan 0.000 0.218 369 P C 1.518 178.830 177.300 0.019 0.000 1.149 369 P CA 1.337 64.487 63.100 0.083 0.000 0.817 369 P CB -0.154 31.713 31.700 0.278 0.000 0.785 370 Y N 0.983 121.222 120.300 -0.102 0.000 2.224 370 Y HA -0.109 4.440 4.550 -0.000 0.000 0.289 370 Y C 2.328 178.061 175.900 -0.279 0.000 1.146 370 Y CA 1.568 59.581 58.100 -0.146 0.000 1.182 370 Y CB -0.912 37.476 38.460 -0.120 0.000 0.983 370 Y HN -0.105 nan 8.280 nan 0.000 0.524 371 A N -0.324 122.240 122.820 -0.427 0.000 2.016 371 A HA -0.015 4.304 4.320 -0.000 0.000 0.217 371 A C 2.186 179.466 177.584 -0.508 0.000 1.162 371 A CA 1.359 52.990 52.037 -0.678 0.000 0.662 371 A CB -0.745 17.798 19.000 -0.762 0.000 0.812 371 A HN 0.526 nan 8.150 nan 0.000 0.450 372 L N -1.222 119.746 121.223 -0.424 0.000 2.084 372 L HA -0.052 4.288 4.340 -0.000 0.000 0.202 372 L C 2.507 179.218 176.870 -0.265 0.000 1.074 372 L CA 1.271 55.869 54.840 -0.403 0.000 0.757 372 L CB -0.446 41.239 42.059 -0.623 0.000 0.918 372 L HN 0.399 nan 8.230 nan 0.000 0.444 373 E N -0.610 119.475 120.200 -0.192 0.000 2.122 373 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 373 E C 2.023 178.559 176.600 -0.108 0.000 0.977 373 E CA 1.172 57.535 56.400 -0.061 0.000 0.820 373 E CB 0.239 29.959 29.700 0.034 0.000 0.770 373 E HN 0.331 nan 8.360 nan 0.000 0.462 374 V N -0.208 119.558 119.914 -0.247 0.000 2.922 374 V HA 0.051 4.171 4.120 -0.000 0.000 0.242 374 V C 1.663 177.537 176.094 -0.367 0.000 1.094 374 V CA 0.461 62.587 62.300 -0.291 0.000 1.106 374 V CB 0.015 31.662 31.823 -0.294 0.000 0.799 374 V HN 0.140 nan 8.190 nan 0.000 0.474 375 L N 0.446 121.362 121.223 -0.512 0.000 2.071 375 L HA 0.035 4.375 4.340 -0.000 0.000 0.201 375 L C 2.798 179.489 176.870 -0.298 0.000 1.076 375 L CA 1.710 56.289 54.840 -0.436 0.000 0.755 375 L CB -0.902 40.812 42.059 -0.576 0.000 0.915 375 L HN 0.328 nan 8.230 nan 0.000 0.445 376 S N 0.634 116.150 115.700 -0.306 0.000 2.335 376 S HA -0.143 4.326 4.470 -0.000 0.000 0.216 376 S C 2.172 176.645 174.600 -0.213 0.000 1.032 376 S CA 1.220 59.271 58.200 -0.249 0.000 1.000 376 S CB -0.544 62.498 63.200 -0.263 0.000 0.928 376 S HN 0.437 nan 8.310 nan 0.000 0.434 377 A N 1.687 124.405 122.820 -0.169 0.000 1.902 377 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 377 A C 2.356 179.895 177.584 -0.075 0.000 1.181 377 A CA 1.724 53.702 52.037 -0.098 0.000 0.623 377 A CB -1.530 17.511 19.000 0.067 0.000 0.818 377 A HN 0.530 nan 8.150 nan 0.000 0.443 378 G N -0.570 108.187 108.800 -0.071 0.000 2.422 378 G HA2 0.011 3.971 3.960 -0.000 0.000 0.218 378 G HA3 0.011 3.971 3.960 -0.000 0.000 0.218 378 G C 1.494 176.357 174.900 -0.061 0.000 1.146 378 G CA 1.231 46.303 45.100 -0.048 0.000 0.769 378 G HN 0.716 nan 8.290 nan 0.000 0.547 379 G N 0.601 109.335 108.800 -0.111 0.000 2.432 379 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.219 379 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.219 379 G C 1.711 176.537 174.900 -0.124 0.000 1.135 379 G CA 0.621 45.660 45.100 -0.102 0.000 0.767 379 G HN 0.443 nan 8.290 nan 0.000 0.550 380 L N -1.354 119.734 121.223 -0.225 0.000 2.307 380 L HA 0.319 4.659 4.340 -0.000 0.000 0.211 380 L C 0.901 177.562 176.870 -0.348 0.000 1.099 380 L CA 0.223 54.833 54.840 -0.383 0.000 0.816 380 L CB 0.199 41.868 42.059 -0.650 0.000 0.952 380 L HN 0.051 nan 8.230 nan 0.000 0.455 381 F N -1.066 118.822 119.950 -0.102 0.000 2.835 381 F HA 0.222 4.749 4.527 -0.000 0.000 0.342 381 F C 1.804 177.559 175.800 -0.075 0.000 1.202 381 F CA -0.713 57.223 58.000 -0.108 0.000 1.240 381 F CB -0.378 38.535 39.000 -0.146 0.000 1.005 381 F HN -0.145 nan 8.300 nan 0.000 0.507 382 S N -0.119 115.643 115.700 0.103 0.000 2.400 382 S HA -0.211 4.259 4.470 -0.000 0.000 0.232 382 S C 1.701 176.331 174.600 0.049 0.000 1.025 382 S CA 1.770 60.004 58.200 0.055 0.000 0.993 382 S CB -0.225 62.997 63.200 0.037 0.000 0.808 382 S HN 0.611 nan 8.310 nan 0.000 0.478 383 D N 0.194 120.635 120.400 0.068 0.000 2.328 383 D HA 0.175 4.815 4.640 -0.000 0.000 0.221 383 D C 1.266 177.585 176.300 0.031 0.000 1.072 383 D CA 0.718 54.749 54.000 0.051 0.000 0.850 383 D CB -0.251 40.591 40.800 0.070 0.000 0.922 383 D HN 0.444 nan 8.370 nan 0.000 0.516 384 G N 0.262 109.066 108.800 0.007 0.000 2.205 384 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.261 384 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.261 384 G C 1.155 175.982 174.900 -0.121 0.000 0.980 384 G CA 0.370 45.431 45.100 -0.066 0.000 0.632 384 G HN 1.387 nan 8.290 nan 0.000 0.533 385 G N -1.729 107.062 108.800 -0.016 0.000 2.137 385 G HA2 0.156 4.116 3.960 -0.000 0.000 0.237 385 G HA3 0.156 4.116 3.960 -0.000 0.000 0.237 385 G C 1.174 176.154 174.900 0.134 0.000 1.002 385 G CA 1.536 46.667 45.100 0.050 0.000 0.702 385 G HN 1.941 nan 8.290 nan 0.000 0.515 386 R N 0.504 121.060 120.500 0.093 0.000 2.062 386 R HA 0.133 4.473 4.340 -0.000 0.000 0.231 386 R C 2.896 179.271 176.300 0.124 0.000 1.136 386 R CA 2.653 58.805 56.100 0.086 0.000 0.948 386 R CB -1.550 28.782 30.300 0.053 0.000 0.845 386 R HN 1.094 nan 8.270 nan 0.000 0.430 387 S N 0.451 116.234 115.700 0.139 0.000 2.374 387 S HA -0.182 4.287 4.470 -0.000 0.000 0.227 387 S C 1.898 176.619 174.600 0.201 0.000 1.037 387 S CA 1.420 59.707 58.200 0.146 0.000 1.024 387 S CB -0.585 62.699 63.200 0.139 0.000 0.861 387 S HN 0.554 nan 8.310 nan 0.000 0.456 388 F N 1.996 122.004 119.950 0.098 0.000 2.134 388 F HA 0.037 4.563 4.527 -0.000 0.000 0.299 388 F C 1.862 177.797 175.800 0.225 0.000 1.097 388 F CA 1.028 59.119 58.000 0.152 0.000 1.264 388 F CB -0.353 38.766 39.000 0.199 0.000 1.001 388 F HN 0.089 nan 8.300 nan 0.000 0.479 389 L N -0.519 120.827 121.223 0.205 0.000 2.313 389 L HA -0.129 4.210 4.340 -0.000 0.000 0.214 389 L C 2.197 179.136 176.870 0.115 0.000 1.119 389 L CA 0.669 55.591 54.840 0.136 0.000 0.809 389 L CB -0.521 41.589 42.059 0.086 0.000 0.933 389 L HN 0.116 nan 8.230 nan 0.000 0.449 390 Q N 0.234 120.073 119.800 0.064 0.000 2.364 390 Q HA -0.181 4.159 4.340 -0.000 0.000 0.209 390 Q C 1.557 177.532 176.000 -0.041 0.000 0.977 390 Q CA 1.232 57.048 55.803 0.021 0.000 0.885 390 Q CB -0.067 28.687 28.738 0.026 0.000 0.941 390 Q HN 0.498 nan 8.270 nan 0.000 0.464 391 N N -1.587 117.040 118.700 -0.123 0.000 2.457 391 N HA -0.037 4.703 4.740 -0.000 0.000 0.180 391 N C 0.079 175.336 175.510 -0.422 0.000 1.050 391 N CA 0.664 53.522 53.050 -0.319 0.000 0.906 391 N CB 0.174 38.345 38.487 -0.527 0.000 0.968 391 N HN 0.191 nan 8.380 nan 0.000 0.445 392 F N 0.455 120.308 119.950 -0.163 0.000 2.695 392 F HA 0.266 4.793 4.527 -0.000 0.000 0.303 392 F C 0.602 176.342 175.800 -0.100 0.000 1.091 392 F CA -0.398 57.520 58.000 -0.136 0.000 1.300 392 F CB 0.310 39.217 39.000 -0.156 0.000 1.071 392 F HN -0.261 nan 8.300 nan 0.000 0.578 393 K N 0.650 121.075 120.400 0.041 0.000 2.351 393 K HA 0.318 4.638 4.320 -0.000 0.000 0.287 393 K C 1.134 177.718 176.600 -0.027 0.000 1.068 393 K CA 1.002 57.293 56.287 0.007 0.000 0.998 393 K CB -0.292 32.205 32.500 -0.006 0.000 0.968 393 K HN 0.380 nan 8.250 nan 0.000 0.464 394 G N 2.727 111.501 108.800 -0.043 0.000 2.195 394 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.246 394 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.246 394 G C 0.026 174.844 174.900 -0.138 0.000 0.984 394 G CA 0.115 45.161 45.100 -0.089 0.000 0.633 394 G HN 0.651 nan 8.290 nan 0.000 0.525 395 D N -0.316 120.035 120.400 -0.082 0.000 2.348 395 D HA 0.564 5.204 4.640 -0.000 0.000 0.249 395 D C 0.635 176.870 176.300 -0.108 0.000 1.110 395 D CA -0.621 53.342 54.000 -0.062 0.000 0.967 395 D CB 0.306 41.120 40.800 0.023 0.000 1.139 395 D HN 0.011 nan 8.370 nan 0.000 0.466 396 F N 0.230 120.204 119.950 0.040 0.000 2.471 396 F HA 0.119 4.646 4.527 -0.000 0.000 0.353 396 F C 0.872 176.743 175.800 0.119 0.000 1.113 396 F CA -0.444 57.587 58.000 0.052 0.000 1.262 396 F CB 0.737 39.752 39.000 0.025 0.000 1.146 396 F HN -0.070 nan 8.300 nan 0.000 0.578 397 V N 1.008 121.091 119.914 0.281 0.000 2.539 397 V HA 0.414 4.534 4.120 -0.000 0.000 0.292 397 V C -0.684 175.516 176.094 0.176 0.000 1.045 397 V CA -0.684 61.743 62.300 0.212 0.000 0.945 397 V CB 1.538 33.374 31.823 0.021 0.000 0.993 397 V HN 0.768 nan 8.190 nan 0.000 0.464 398 D N 5.752 126.245 120.400 0.155 0.000 2.256 398 D HA 0.502 5.141 4.640 -0.000 0.000 0.250 398 D C -1.423 174.914 176.300 0.062 0.000 1.093 398 D CA -1.757 52.302 54.000 0.099 0.000 0.882 398 D CB 1.986 42.846 40.800 0.100 0.000 1.185 398 D HN 0.493 nan 8.370 nan 0.000 0.437 399 P HA -0.163 nan 4.420 nan 0.000 0.222 399 P C 1.343 178.647 177.300 0.008 0.000 1.142 399 P CA 0.721 63.833 63.100 0.019 0.000 0.788 399 P CB -0.385 31.319 31.700 0.007 0.000 0.767 400 C N -3.223 116.082 119.300 0.008 0.000 2.576 400 C HA 0.208 4.668 4.460 -0.000 0.000 0.267 400 C C 2.085 177.073 174.990 -0.005 0.000 1.364 400 C CA -0.269 58.739 59.018 -0.016 0.000 1.723 400 C CB -2.201 25.526 27.740 -0.022 0.000 1.778 400 C HN 0.002 nan 8.230 nan 0.000 0.572 401 L N 1.509 122.751 121.223 0.032 0.000 2.529 401 L HA 0.378 4.717 4.340 -0.000 0.000 0.223 401 L C 2.039 178.935 176.870 0.042 0.000 1.113 401 L CA 1.590 56.462 54.840 0.054 0.000 0.861 401 L CB -0.944 41.160 42.059 0.074 0.000 1.012 401 L HN 0.692 nan 8.230 nan 0.000 0.461 402 G N -0.042 108.774 108.800 0.026 0.000 2.611 402 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.301 402 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.301 402 G C 0.608 175.526 174.900 0.031 0.000 1.233 402 G CA 0.455 45.574 45.100 0.031 0.000 0.993 402 G HN 0.263 nan 8.290 nan 0.000 0.553 403 D N 0.524 120.955 120.400 0.052 0.000 2.349 403 D HA 0.177 4.816 4.640 -0.000 0.000 0.214 403 D C 2.332 178.650 176.300 0.030 0.000 1.063 403 D CA 0.346 54.368 54.000 0.037 0.000 0.847 403 D CB 0.484 41.312 40.800 0.047 0.000 0.933 403 D HN 0.271 nan 8.370 nan 0.000 0.513 404 L N 0.808 122.064 121.223 0.056 0.000 2.083 404 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 404 L C 1.782 178.630 176.870 -0.037 0.000 1.083 404 L CA 1.406 56.281 54.840 0.059 0.000 0.752 404 L CB -0.205 41.942 42.059 0.145 0.000 0.899 404 L HN -0.104 nan 8.230 nan 0.000 0.433 405 I N -0.679 119.837 120.570 -0.089 0.000 2.252 405 I HA -0.225 3.944 4.170 -0.000 0.000 0.245 405 I C 2.488 178.520 176.117 -0.143 0.000 1.102 405 I CA 1.290 62.471 61.300 -0.200 0.000 1.385 405 I CB -1.391 36.370 38.000 -0.397 0.000 1.064 405 I HN 0.366 nan 8.210 nan 0.000 0.414 406 L N 0.829 121.995 121.223 -0.095 0.000 2.046 406 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 406 L C 2.345 179.176 176.870 -0.066 0.000 1.077 406 L CA 1.776 56.577 54.840 -0.065 0.000 0.747 406 L CB -0.365 41.674 42.059 -0.034 0.000 0.896 406 L HN 0.061 nan 8.230 nan 0.000 0.432 407 I N -1.162 119.363 120.570 -0.075 0.000 2.406 407 I HA -0.239 3.930 4.170 -0.000 0.000 0.249 407 I C 2.161 178.171 176.117 -0.177 0.000 1.122 407 I CA 0.875 62.112 61.300 -0.106 0.000 1.431 407 I CB -0.105 37.842 38.000 -0.089 0.000 1.087 407 I HN 0.235 nan 8.210 nan 0.000 0.424 408 L N 0.010 121.108 121.223 -0.209 0.000 2.201 408 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 408 L C 2.488 179.267 176.870 -0.153 0.000 1.105 408 L CA 1.079 55.769 54.840 -0.250 0.000 0.775 408 L CB -0.446 41.451 42.059 -0.270 0.000 0.913 408 L HN 0.131 nan 8.230 nan 0.000 0.440 409 R N -0.307 120.126 120.500 -0.111 0.000 2.193 409 R HA 0.066 4.406 4.340 -0.000 0.000 0.213 409 R C 0.546 176.809 176.300 -0.061 0.000 1.055 409 R CA 0.095 56.151 56.100 -0.074 0.000 0.995 409 R CB -0.097 30.164 30.300 -0.065 0.000 0.893 409 R HN 0.251 nan 8.270 nan 0.000 0.459 410 L N 3.193 124.377 121.223 -0.065 0.000 2.485 410 L HA 0.073 4.412 4.340 -0.000 0.000 0.275 410 L C -1.797 175.029 176.870 -0.074 0.000 1.207 410 L CA -1.642 53.177 54.840 -0.034 0.000 0.855 410 L CB 0.068 42.146 42.059 0.031 0.000 1.114 410 L HN -0.072 nan 8.230 nan 0.000 0.485 411 P HA 0.081 nan 4.420 nan 0.000 0.272 411 P C 0.223 177.425 177.300 -0.164 0.000 1.230 411 P CA -0.333 62.711 63.100 -0.093 0.000 0.788 411 P CB 0.831 32.507 31.700 -0.040 0.000 0.949 412 S N 1.158 116.830 115.700 -0.047 0.000 2.359 412 S HA -0.160 4.310 4.470 -0.000 0.000 0.222 412 S C 1.758 176.338 174.600 -0.034 0.000 1.038 412 S CA 1.612 59.795 58.200 -0.029 0.000 1.051 412 S CB -1.050 62.177 63.200 0.044 0.000 0.944 412 S HN 0.743 nan 8.310 nan 0.000 0.433 413 W N 1.008 122.339 121.300 0.052 0.000 2.325 413 W HA -0.182 4.478 4.660 -0.000 0.000 0.299 413 W C 1.814 178.406 176.519 0.122 0.000 1.215 413 W CA 0.880 58.266 57.345 0.068 0.000 1.244 413 W CB -1.094 28.404 29.460 0.064 0.000 1.140 413 W HN 0.304 nan 8.180 nan 0.000 0.523 414 F N 2.376 121.612 119.950 -1.190 0.000 2.335 414 F HA 0.085 4.611 4.527 -0.000 0.000 0.296 414 F C 2.444 177.940 175.800 -0.507 0.000 1.091 414 F CA 1.466 58.770 58.000 -1.160 0.000 1.399 414 F CB -0.484 37.644 39.000 -1.452 0.000 1.067 414 F HN -0.280 nan 8.300 nan 0.000 0.520 415 K N 0.322 120.465 120.400 -0.428 0.000 1.991 415 K HA -0.216 4.104 4.320 -0.000 0.000 0.212 415 K C 2.497 178.928 176.600 -0.282 0.000 1.049 415 K CA 2.541 58.612 56.287 -0.359 0.000 0.932 415 K CB -0.507 31.847 32.500 -0.243 0.000 0.717 415 K HN 0.195 nan 8.250 nan 0.000 0.441 416 R N 0.901 121.300 120.500 -0.169 0.000 2.152 416 R HA -0.052 4.287 4.340 -0.000 0.000 0.232 416 R C 2.093 178.352 176.300 -0.068 0.000 1.117 416 R CA 1.744 57.795 56.100 -0.081 0.000 0.981 416 R CB -1.315 28.984 30.300 -0.003 0.000 0.870 416 R HN 0.269 nan 8.270 nan 0.000 0.451 417 L N -0.184 120.987 121.223 -0.088 0.000 2.068 417 L HA 0.139 4.478 4.340 -0.000 0.000 0.204 417 L C 2.413 179.198 176.870 -0.141 0.000 1.076 417 L CA 1.399 56.217 54.840 -0.036 0.000 0.753 417 L CB -0.218 41.910 42.059 0.114 0.000 0.910 417 L HN 0.346 nan 8.230 nan 0.000 0.439 418 L N -0.905 120.110 121.223 -0.346 0.000 2.079 418 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 418 L C 2.733 179.491 176.870 -0.186 0.000 1.081 418 L CA 1.450 56.087 54.840 -0.339 0.000 0.752 418 L CB -0.638 41.088 42.059 -0.554 0.000 0.896 418 L HN 0.458 nan 8.230 nan 0.000 0.433 419 S N 0.649 116.251 115.700 -0.165 0.000 2.365 419 S HA -0.181 4.289 4.470 -0.000 0.000 0.221 419 S C 1.840 176.409 174.600 -0.050 0.000 1.037 419 S CA 1.786 59.930 58.200 -0.092 0.000 1.060 419 S CB -0.292 62.861 63.200 -0.080 0.000 0.974 419 S HN 0.438 nan 8.310 nan 0.000 0.427 420 L N 0.063 121.263 121.223 -0.038 0.000 2.552 420 L HA 0.225 4.565 4.340 -0.000 0.000 0.227 420 L C 2.231 179.091 176.870 -0.016 0.000 1.146 420 L CA 0.999 55.829 54.840 -0.017 0.000 0.858 420 L CB -1.281 40.776 42.059 -0.003 0.000 0.969 420 L HN 0.331 nan 8.230 nan 0.000 0.451 421 L N -0.091 121.115 121.223 -0.027 0.000 2.131 421 L HA -0.078 4.261 4.340 -0.000 0.000 0.206 421 L C 2.372 179.233 176.870 -0.014 0.000 1.087 421 L CA 0.716 55.544 54.840 -0.020 0.000 0.767 421 L CB -0.065 41.979 42.059 -0.025 0.000 0.917 421 L HN 0.182 nan 8.230 nan 0.000 0.441 422 L N 0.114 121.330 121.223 -0.012 0.000 2.313 422 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 422 L C 2.905 179.783 176.870 0.013 0.000 1.119 422 L CA 1.860 56.718 54.840 0.031 0.000 0.809 422 L CB -1.565 40.522 42.059 0.047 0.000 0.933 422 L HN 0.229 nan 8.230 nan 0.000 0.449 423 K N 0.782 121.180 120.400 -0.004 0.000 2.103 423 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 423 K C 0.124 176.710 176.600 -0.022 0.000 1.048 423 K CA 1.656 57.940 56.287 -0.005 0.000 0.930 423 K CB -2.394 30.106 32.500 -0.000 0.000 0.716 423 K HN 0.448 nan 8.250 nan 0.000 0.444 424 P HA -0.146 nan 4.420 nan 0.000 0.214 424 P C 1.153 178.373 177.300 -0.134 0.000 1.163 424 P CA 0.924 63.981 63.100 -0.072 0.000 0.883 424 P CB -0.003 31.654 31.700 -0.073 0.000 0.788 425 L N -1.641 119.453 121.223 -0.214 0.000 2.056 425 L HA 0.078 4.417 4.340 -0.000 0.000 0.202 425 L C 1.447 178.018 176.870 -0.498 0.000 1.086 425 L CA 1.331 55.870 54.840 -0.501 0.000 0.758 425 L CB -1.806 39.786 42.059 -0.778 0.000 0.912 425 L HN -0.101 nan 8.230 nan 0.000 0.446 426 F N 1.055 120.975 119.950 -0.052 0.000 2.359 426 F HA 0.302 4.829 4.527 -0.000 0.000 0.370 426 F C -1.468 174.270 175.800 -0.105 0.000 1.077 426 F CA -1.478 56.472 58.000 -0.083 0.000 1.136 426 F CB 0.980 39.895 39.000 -0.141 0.000 1.387 426 F HN 0.014 nan 8.300 nan 0.000 0.468 427 P HA -0.063 nan 4.420 nan 0.000 0.222 427 P C 1.523 178.796 177.300 -0.045 0.000 1.153 427 P CA 1.002 64.117 63.100 0.026 0.000 0.798 427 P CB 0.300 32.040 31.700 0.067 0.000 0.796 428 R N -0.681 119.710 120.500 -0.182 0.000 2.075 428 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 428 R C 2.160 178.370 176.300 -0.151 0.000 1.126 428 R CA 1.007 56.957 56.100 -0.250 0.000 0.963 428 R CB -0.889 29.090 30.300 -0.535 0.000 0.858 428 R HN 0.166 nan 8.270 nan 0.000 0.435 429 L N 0.355 121.414 121.223 -0.272 0.000 2.093 429 L HA -0.074 4.265 4.340 -0.000 0.000 0.208 429 L C 2.460 179.328 176.870 -0.002 0.000 1.085 429 L CA 1.675 56.376 54.840 -0.231 0.000 0.755 429 L CB -0.910 40.945 42.059 -0.340 0.000 0.904 429 L HN 0.137 nan 8.230 nan 0.000 0.435 430 A N -0.629 122.190 122.820 -0.003 0.000 1.908 430 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 430 A C 2.408 180.015 177.584 0.038 0.000 1.181 430 A CA 1.828 53.872 52.037 0.011 0.000 0.627 430 A CB -0.766 18.240 19.000 0.011 0.000 0.818 430 A HN 0.375 nan 8.150 nan 0.000 0.445 431 A N -2.109 120.755 122.820 0.072 0.000 2.123 431 A HA 0.207 4.527 4.320 -0.000 0.000 0.214 431 A C 1.923 179.617 177.584 0.184 0.000 1.152 431 A CA 0.794 52.890 52.037 0.099 0.000 0.728 431 A CB -0.550 18.507 19.000 0.096 0.000 0.814 431 A HN 0.607 nan 8.150 nan 0.000 0.464 432 F N 0.212 120.194 119.950 0.052 0.000 2.113 432 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 432 F C 1.792 177.627 175.800 0.059 0.000 1.103 432 F CA 1.339 59.411 58.000 0.120 0.000 1.248 432 F CB 0.028 39.158 39.000 0.217 0.000 0.999 432 F HN 0.151 nan 8.300 nan 0.000 0.475 433 L N 0.112 121.315 121.223 -0.033 0.000 2.217 433 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 433 L C 2.127 178.909 176.870 -0.145 0.000 1.107 433 L CA 1.158 55.881 54.840 -0.194 0.000 0.783 433 L CB -0.836 41.123 42.059 -0.166 0.000 0.919 433 L HN 0.259 nan 8.230 nan 0.000 0.442 434 N N -0.438 118.225 118.700 -0.062 0.000 2.309 434 N HA -0.183 4.557 4.740 -0.000 0.000 0.182 434 N C 1.992 177.481 175.510 -0.036 0.000 1.018 434 N CA 1.244 54.269 53.050 -0.042 0.000 0.876 434 N CB 0.213 38.696 38.487 -0.007 0.000 0.972 434 N HN 0.336 nan 8.380 nan 0.000 0.434 435 S N -0.013 115.674 115.700 -0.022 0.000 2.470 435 S HA 0.031 4.501 4.470 -0.000 0.000 0.225 435 S C 1.682 176.293 174.600 0.018 0.000 1.006 435 S CA 0.120 58.329 58.200 0.015 0.000 0.934 435 S CB -0.117 63.128 63.200 0.075 0.000 0.778 435 S HN 0.278 nan 8.310 nan 0.000 0.517 436 M N 1.964 121.508 119.600 -0.094 0.000 2.618 436 M HA 0.206 4.686 4.480 -0.000 0.000 0.240 436 M C 0.989 177.208 176.300 -0.136 0.000 1.123 436 M CA 0.014 55.202 55.300 -0.187 0.000 1.060 436 M CB -0.219 32.119 32.600 -0.438 0.000 1.535 436 M HN 0.215 nan 8.290 nan 0.000 0.507 437 R N 3.054 123.503 120.500 -0.084 0.000 2.442 437 R HA 0.224 4.563 4.340 -0.000 0.000 0.291 437 R C -2.951 173.330 176.300 -0.032 0.000 1.069 437 R CA -1.233 54.831 56.100 -0.060 0.000 1.022 437 R CB -0.163 30.111 30.300 -0.043 0.000 0.976 437 R HN -0.050 nan 8.270 nan 0.000 0.443 438 P HA 0.236 nan 4.420 nan 0.000 0.276 438 P C -0.611 176.686 177.300 -0.006 0.000 1.253 438 P CA -0.047 63.046 63.100 -0.011 0.000 0.766 438 P CB 0.588 32.282 31.700 -0.009 0.000 0.845 439 R N 1.361 121.859 120.500 -0.003 0.000 2.691 439 R HA 0.608 4.948 4.340 -0.000 0.000 0.259 439 R C 0.678 176.965 176.300 -0.022 0.000 1.048 439 R CA -0.654 55.442 56.100 -0.008 0.000 1.086 439 R CB 1.188 31.487 30.300 -0.001 0.000 1.166 439 R HN 0.519 nan 8.270 nan 0.000 0.526 440 S N -0.275 115.400 115.700 -0.041 0.000 2.730 440 S HA 0.349 4.819 4.470 -0.000 0.000 0.284 440 S C 0.911 175.437 174.600 -0.123 0.000 1.153 440 S CA -0.327 57.826 58.200 -0.079 0.000 0.995 440 S CB 1.657 64.803 63.200 -0.090 0.000 1.058 440 S HN 0.677 nan 8.310 nan 0.000 0.552 441 A N -0.180 122.512 122.820 -0.214 0.000 2.066 441 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 441 A C 2.030 179.247 177.584 -0.611 0.000 1.157 441 A CA 1.187 52.993 52.037 -0.385 0.000 0.670 441 A CB -0.973 17.744 19.000 -0.471 0.000 0.804 441 A HN 0.953 nan 8.150 nan 0.000 0.453 442 E N -0.351 119.585 120.200 -0.440 0.000 2.110 442 E HA -0.223 4.126 4.350 -0.000 0.000 0.193 442 E C 1.625 178.186 176.600 -0.064 0.000 0.988 442 E CA 1.314 57.548 56.400 -0.277 0.000 0.804 442 E CB 0.041 29.643 29.700 -0.164 0.000 0.745 442 E HN 0.382 nan 8.360 nan 0.000 0.458 443 K N 0.275 120.644 120.400 -0.051 0.000 2.211 443 K HA 0.083 4.403 4.320 -0.000 0.000 0.201 443 K C 1.844 178.481 176.600 0.062 0.000 1.052 443 K CA 0.074 56.373 56.287 0.020 0.000 0.973 443 K CB -0.160 32.343 32.500 0.005 0.000 0.766 443 K HN 0.091 nan 8.250 nan 0.000 0.466 444 L N -0.516 120.735 121.223 0.048 0.000 2.093 444 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 444 L C 1.346 178.377 176.870 0.268 0.000 1.085 444 L CA 1.478 56.387 54.840 0.115 0.000 0.755 444 L CB -0.344 41.769 42.059 0.089 0.000 0.904 444 L HN 0.320 nan 8.230 nan 0.000 0.435 445 W N 0.824 122.147 121.300 0.038 0.000 2.335 445 W HA -0.233 4.426 4.660 -0.000 0.000 0.311 445 W C 2.939 179.503 176.519 0.076 0.000 1.213 445 W CA 2.313 59.687 57.345 0.049 0.000 1.274 445 W CB -1.225 28.257 29.460 0.036 0.000 1.148 445 W HN 0.140 nan 8.180 nan 0.000 0.498 446 K N 0.238 120.827 120.400 0.315 0.000 2.057 446 K HA -0.123 4.196 4.320 -0.000 0.000 0.207 446 K C 1.981 178.692 176.600 0.185 0.000 1.049 446 K CA 1.718 58.144 56.287 0.232 0.000 0.931 446 K CB -1.230 31.373 32.500 0.172 0.000 0.714 446 K HN 0.273 nan 8.250 nan 0.000 0.440 447 L N 0.516 121.823 121.223 0.139 0.000 2.093 447 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 447 L C 2.883 179.793 176.870 0.067 0.000 1.085 447 L CA 1.862 56.745 54.840 0.071 0.000 0.755 447 L CB -0.129 41.951 42.059 0.035 0.000 0.904 447 L HN 0.573 nan 8.230 nan 0.000 0.435 448 Q N -1.433 118.437 119.800 0.117 0.000 2.030 448 Q HA -0.310 4.030 4.340 -0.000 0.000 0.204 448 Q C 2.230 178.300 176.000 0.117 0.000 0.986 448 Q CA 2.067 57.933 55.803 0.105 0.000 0.843 448 Q CB -0.210 28.601 28.738 0.121 0.000 0.904 448 Q HN 0.610 nan 8.270 nan 0.000 0.420 449 H N 0.488 119.596 119.070 0.062 0.000 2.387 449 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 449 H C 1.537 176.914 175.328 0.082 0.000 1.099 449 H CA 2.014 58.097 56.048 0.058 0.000 1.315 449 H CB 0.127 29.921 29.762 0.054 0.000 1.380 449 H HN 0.308 nan 8.280 nan 0.000 0.513 450 E N -0.323 119.847 120.200 -0.050 0.000 2.118 450 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 450 E C 2.273 178.877 176.600 0.008 0.000 0.992 450 E CA 1.420 57.801 56.400 -0.031 0.000 0.804 450 E CB -0.063 29.681 29.700 0.074 0.000 0.741 450 E HN 0.549 nan 8.360 nan 0.000 0.458 451 I N 1.443 122.013 120.570 -0.001 0.000 2.286 451 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 451 I C 2.701 178.858 176.117 0.066 0.000 1.104 451 I CA 1.052 62.363 61.300 0.019 0.000 1.397 451 I CB -0.263 37.725 38.000 -0.021 0.000 1.072 451 I HN 0.153 nan 8.210 nan 0.000 0.417 452 E N 1.152 121.373 120.200 0.035 0.000 2.150 452 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 452 E C 2.164 178.780 176.600 0.025 0.000 0.985 452 E CA 1.228 57.657 56.400 0.048 0.000 0.814 452 E CB -0.253 29.494 29.700 0.079 0.000 0.752 452 E HN 0.484 nan 8.360 nan 0.000 0.466 453 M N -0.228 119.342 119.600 -0.051 0.000 2.349 453 M HA -0.038 4.442 4.480 -0.000 0.000 0.266 453 M C 1.909 178.240 176.300 0.052 0.000 1.076 453 M CA 0.949 56.219 55.300 -0.051 0.000 1.126 453 M CB -0.056 32.428 32.600 -0.193 0.000 1.392 453 M HN 0.183 nan 8.290 nan 0.000 0.440 454 Y N 0.339 120.628 120.300 -0.018 0.000 2.220 454 Y HA -0.159 4.391 4.550 -0.000 0.000 0.291 454 Y C 2.468 178.376 175.900 0.013 0.000 1.129 454 Y CA 1.538 59.646 58.100 0.014 0.000 1.161 454 Y CB -0.064 38.409 38.460 0.021 0.000 0.997 454 Y HN 0.033 nan 8.280 nan 0.000 0.522 455 R N -0.053 120.463 120.500 0.027 0.000 2.094 455 R HA -0.248 4.092 4.340 -0.000 0.000 0.239 455 R C 2.269 178.583 176.300 0.022 0.000 1.137 455 R CA 2.095 58.199 56.100 0.007 0.000 0.943 455 R CB -0.205 30.146 30.300 0.084 0.000 0.850 455 R HN 0.361 nan 8.270 nan 0.000 0.433 456 Q N -0.125 119.690 119.800 0.026 0.000 2.084 456 Q HA -0.138 4.201 4.340 -0.000 0.000 0.202 456 Q C 2.156 178.162 176.000 0.010 0.000 0.978 456 Q CA 2.002 57.824 55.803 0.032 0.000 0.844 456 Q CB -0.440 28.319 28.738 0.036 0.000 0.898 456 Q HN 0.403 nan 8.270 nan 0.000 0.426 457 S N -0.501 115.169 115.700 -0.050 0.000 2.382 457 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 457 S C 2.019 176.583 174.600 -0.059 0.000 1.027 457 S CA 1.439 59.599 58.200 -0.066 0.000 0.991 457 S CB -0.252 62.892 63.200 -0.094 0.000 0.823 457 S HN 0.143 nan 8.310 nan 0.000 0.469 458 V N 1.376 121.212 119.914 -0.131 0.000 2.535 458 V HA 0.078 4.198 4.120 -0.000 0.000 0.246 458 V C 2.397 178.679 176.094 0.314 0.000 1.045 458 V CA 1.348 63.667 62.300 0.032 0.000 1.058 458 V CB -0.611 31.117 31.823 -0.157 0.000 0.689 458 V HN 0.476 nan 8.190 nan 0.000 0.461 459 I N 0.812 121.531 120.570 0.249 0.000 2.286 459 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 459 I C 2.596 178.832 176.117 0.198 0.000 1.115 459 I CA 1.444 62.873 61.300 0.215 0.000 1.392 459 I CB -0.442 37.610 38.000 0.086 0.000 1.065 459 I HN 0.276 nan 8.210 nan 0.000 0.418 460 A N -0.360 122.548 122.820 0.145 0.000 1.969 460 A HA -0.242 4.077 4.320 -0.000 0.000 0.218 460 A C 2.298 179.983 177.584 0.168 0.000 1.169 460 A CA 1.390 53.503 52.037 0.125 0.000 0.635 460 A CB -0.502 18.543 19.000 0.075 0.000 0.810 460 A HN 0.481 nan 8.150 nan 0.000 0.445 461 Q N -1.702 118.236 119.800 0.229 0.000 2.245 461 Q HA -0.123 4.217 4.340 -0.000 0.000 0.201 461 Q C 1.868 178.126 176.000 0.430 0.000 0.955 461 Q CA 0.685 56.677 55.803 0.316 0.000 0.870 461 Q CB -0.147 28.777 28.738 0.311 0.000 0.945 461 Q HN 0.892 nan 8.270 nan 0.000 0.461 462 W N 1.240 122.638 121.300 0.164 0.000 2.388 462 W HA -0.139 4.520 4.660 -0.000 0.000 0.294 462 W C 1.298 177.764 176.519 -0.088 0.000 1.212 462 W CA 1.079 58.372 57.345 -0.087 0.000 1.271 462 W CB 0.225 29.647 29.460 -0.063 0.000 1.126 462 W HN 0.040 nan 8.180 nan 0.000 0.535 463 K N 0.124 120.677 120.400 0.254 0.000 2.098 463 K HA 0.002 4.322 4.320 -0.000 0.000 0.203 463 K C 2.116 178.763 176.600 0.079 0.000 1.051 463 K CA 1.297 57.676 56.287 0.154 0.000 0.957 463 K CB -1.084 31.488 32.500 0.120 0.000 0.738 463 K HN 0.070 nan 8.250 nan 0.000 0.447 464 A N 0.682 123.553 122.820 0.085 0.000 2.070 464 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 464 A C 2.034 179.641 177.584 0.038 0.000 1.159 464 A CA 1.253 53.326 52.037 0.060 0.000 0.656 464 A CB -0.287 18.756 19.000 0.072 0.000 0.800 464 A HN 0.222 nan 8.150 nan 0.000 0.453 465 M N -1.771 117.838 119.600 0.015 0.000 2.441 465 M HA 0.203 4.683 4.480 -0.000 0.000 0.244 465 M C 0.523 176.755 176.300 -0.113 0.000 1.122 465 M CA 0.306 55.579 55.300 -0.045 0.000 1.041 465 M CB -0.182 32.384 32.600 -0.056 0.000 1.438 465 M HN 0.539 nan 8.290 nan 0.000 0.484 466 N N 0.452 119.099 118.700 -0.088 0.000 2.725 466 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 466 N C -0.987 174.436 175.510 -0.146 0.000 1.103 466 N CA -0.095 52.913 53.050 -0.070 0.000 0.707 466 N CB -0.848 37.618 38.487 -0.034 0.000 1.043 466 N HN 0.341 nan 8.380 nan 0.000 0.553 467 L N -0.552 120.455 121.223 -0.361 0.000 2.473 467 L HA 0.108 4.448 4.340 -0.000 0.000 0.268 467 L C 1.204 177.980 176.870 -0.157 0.000 1.215 467 L CA -0.126 54.397 54.840 -0.528 0.000 0.823 467 L CB 0.325 41.609 42.059 -1.293 0.000 1.099 467 L HN 0.141 nan 8.230 nan 0.000 0.483 468 D N -0.161 120.161 120.400 -0.130 0.000 2.388 468 D HA 0.234 4.874 4.640 -0.000 0.000 0.208 468 D C -0.098 176.294 176.300 0.154 0.000 1.035 468 D CA 0.633 54.665 54.000 0.053 0.000 0.875 468 D CB 1.481 42.251 40.800 -0.050 0.000 0.984 468 D HN 0.167 nan 8.370 nan 0.000 0.508 469 V N 0.433 120.299 119.914 -0.080 0.000 3.234 469 V HA 0.293 4.413 4.120 -0.000 0.000 0.280 469 V C -2.138 173.676 176.094 -0.467 0.000 1.580 469 V CA -0.895 61.285 62.300 -0.200 0.000 1.032 469 V CB 2.912 34.391 31.823 -0.573 0.000 1.203 469 V HN -0.069 nan 8.190 nan 0.000 0.459 470 L N 3.879 124.936 121.223 -0.276 0.000 2.436 470 L HA 0.817 5.157 4.340 -0.000 0.000 0.268 470 L C -1.553 175.318 176.870 0.001 0.000 0.974 470 L CA -0.312 54.421 54.840 -0.178 0.000 0.826 470 L CB 1.697 43.734 42.059 -0.037 0.000 1.291 470 L HN 0.670 nan 8.230 nan 0.000 0.406 471 L N 3.867 125.105 121.223 0.024 0.000 2.313 471 L HA 0.830 5.170 4.340 -0.000 0.000 0.283 471 L C -0.643 176.147 176.870 -0.133 0.000 1.013 471 L CA 0.427 55.317 54.840 0.084 0.000 0.816 471 L CB 1.936 44.122 42.059 0.212 0.000 1.236 471 L HN 0.759 nan 8.230 nan 0.000 0.419 472 T N 5.686 120.135 114.554 -0.174 0.000 2.909 472 T HA 0.555 4.905 4.350 -0.000 0.000 0.299 472 T C -2.845 171.760 174.700 -0.157 0.000 1.073 472 T CA -1.009 60.884 62.100 -0.346 0.000 0.999 472 T CB 2.154 70.892 68.868 -0.217 0.000 1.098 472 T HN 0.361 nan 8.240 nan 0.000 0.477 473 P HA 0.458 nan 4.420 nan 0.000 0.277 473 P C -0.993 176.131 177.300 -0.293 0.000 1.240 473 P CA -0.709 62.259 63.100 -0.219 0.000 0.798 473 P CB 0.650 32.179 31.700 -0.284 0.000 0.979 474 M N 3.171 122.658 119.600 -0.189 0.000 2.321 474 M HA 0.299 4.779 4.480 -0.000 0.000 0.315 474 M C -0.866 175.419 176.300 -0.026 0.000 1.052 474 M CA -1.331 53.909 55.300 -0.100 0.000 0.936 474 M CB 1.013 33.582 32.600 -0.051 0.000 1.639 474 M HN 0.179 nan 8.290 nan 0.000 0.433 475 L N 4.900 126.185 121.223 0.104 0.000 2.653 475 L HA 0.084 4.423 4.340 -0.000 0.000 0.288 475 L C 0.733 177.781 176.870 0.296 0.000 1.243 475 L CA 1.266 56.270 54.840 0.273 0.000 0.906 475 L CB -0.316 42.069 42.059 0.544 0.000 1.154 475 L HN 1.031 nan 8.230 nan 0.000 0.498 476 G N 6.666 115.556 108.800 0.150 0.000 2.421 476 G HA2 0.100 4.060 3.960 -0.000 0.000 0.238 476 G HA3 0.100 4.060 3.960 -0.000 0.000 0.238 476 G C -2.377 172.469 174.900 -0.090 0.000 1.544 476 G CA -0.403 44.711 45.100 0.023 0.000 1.044 476 G HN 0.647 nan 8.290 nan 0.000 0.537 477 P HA 0.285 nan 4.420 nan 0.000 0.269 477 P C -0.219 176.731 177.300 -0.583 0.000 1.215 477 P CA -0.016 62.900 63.100 -0.306 0.000 0.780 477 P CB 0.520 32.084 31.700 -0.226 0.000 0.898 478 A N 3.221 125.602 122.820 -0.731 0.000 2.566 478 A HA 0.062 4.381 4.320 -0.000 0.000 0.245 478 A C 0.348 177.563 177.584 -0.616 0.000 1.056 478 A CA 0.050 51.436 52.037 -1.086 0.000 0.757 478 A CB -0.944 17.768 19.000 -0.479 0.000 0.979 478 A HN 0.472 nan 8.150 nan 0.000 0.508 479 L N 2.887 123.759 121.223 -0.584 0.000 2.461 479 L HA 0.079 4.419 4.340 -0.000 0.000 0.272 479 L C 0.899 177.687 176.870 -0.136 0.000 1.197 479 L CA 0.491 55.200 54.840 -0.218 0.000 0.836 479 L CB 0.145 42.169 42.059 -0.058 0.000 1.105 479 L HN 0.662 nan 8.230 nan 0.000 0.477 480 D N 0.692 121.030 120.400 -0.104 0.000 2.364 480 D HA -0.078 4.562 4.640 -0.000 0.000 0.236 480 D C 1.092 177.357 176.300 -0.059 0.000 1.221 480 D CA -0.304 53.654 54.000 -0.069 0.000 0.891 480 D CB 0.657 41.422 40.800 -0.059 0.000 1.190 480 D HN 0.264 nan 8.370 nan 0.000 0.449 481 L N 1.721 122.918 121.223 -0.042 0.000 1.943 481 L HA -0.165 4.174 4.340 -0.000 0.000 0.215 481 L C 1.471 178.308 176.870 -0.055 0.000 1.074 481 L CA 1.810 56.629 54.840 -0.036 0.000 0.759 481 L CB -1.052 40.994 42.059 -0.021 0.000 0.888 481 L HN 0.340 nan 8.230 nan 0.000 0.433 482 N N -0.845 117.824 118.700 -0.050 0.000 2.375 482 N HA -0.004 4.735 4.740 -0.000 0.000 0.220 482 N C 1.265 176.729 175.510 -0.076 0.000 1.170 482 N CA 0.733 53.749 53.050 -0.057 0.000 0.833 482 N CB 0.029 38.495 38.487 -0.034 0.000 1.069 482 N HN 0.566 nan 8.380 nan 0.000 0.479 483 T N -3.886 110.605 114.554 -0.104 0.000 3.040 483 T HA 0.197 4.547 4.350 -0.000 0.000 0.252 483 T C -0.988 173.590 174.700 -0.202 0.000 1.064 483 T CA -0.014 62.020 62.100 -0.111 0.000 1.110 483 T CB -0.468 68.354 68.868 -0.076 0.000 0.921 483 T HN -0.080 nan 8.240 nan 0.000 0.480 484 P HA 0.046 nan 4.420 nan 0.000 0.219 484 P C 1.838 178.804 177.300 -0.556 0.000 1.146 484 P CA 1.335 63.901 63.100 -0.890 0.000 0.808 484 P CB -0.638 30.135 31.700 -1.544 0.000 0.779 485 G N -0.065 108.559 108.800 -0.294 0.000 2.432 485 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 485 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 485 G C 1.438 176.316 174.900 -0.037 0.000 1.135 485 G CA 0.312 45.346 45.100 -0.110 0.000 0.767 485 G HN 0.273 nan 8.290 nan 0.000 0.550 486 R N 0.163 120.642 120.500 -0.035 0.000 2.359 486 R HA 0.367 4.707 4.340 -0.000 0.000 0.231 486 R C 0.598 176.961 176.300 0.105 0.000 0.913 486 R CA 0.473 56.615 56.100 0.070 0.000 1.075 486 R CB 0.583 30.918 30.300 0.059 0.000 1.087 486 R HN 0.263 nan 8.270 nan 0.000 0.515 487 A N 0.316 123.083 122.820 -0.088 0.000 3.176 487 A HA 0.189 4.508 4.320 -0.000 0.000 0.265 487 A C 0.808 178.111 177.584 -0.470 0.000 0.936 487 A CA -0.403 51.526 52.037 -0.179 0.000 1.033 487 A CB 0.338 19.352 19.000 0.024 0.000 1.158 487 A HN -0.049 nan 8.150 nan 0.000 0.485 488 T N -0.146 113.751 114.554 -1.094 0.000 2.803 488 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 488 T C 2.024 176.113 174.700 -1.019 0.000 1.052 488 T CA 2.360 63.850 62.100 -1.017 0.000 1.136 488 T CB -0.056 68.135 68.868 -1.129 0.000 0.864 488 T HN 0.701 nan 8.240 nan 0.000 0.467 489 G N 0.496 108.484 108.800 -1.352 0.000 2.471 489 G HA2 0.030 3.990 3.960 -0.000 0.000 0.219 489 G HA3 0.030 3.990 3.960 -0.000 0.000 0.219 489 G C 1.658 176.467 174.900 -0.151 0.000 1.125 489 G CA 0.731 45.524 45.100 -0.512 0.000 0.775 489 G HN 0.570 nan 8.290 nan 0.000 0.548 490 A N 1.272 124.009 122.820 -0.138 0.000 2.178 490 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 490 A C 2.217 179.775 177.584 -0.044 0.000 1.157 490 A CA 1.081 53.127 52.037 0.015 0.000 0.689 490 A CB -0.443 18.617 19.000 0.100 0.000 0.787 490 A HN 0.796 nan 8.150 nan 0.000 0.465 491 I N -1.530 118.908 120.570 -0.220 0.000 3.444 491 I HA -0.062 4.108 4.170 -0.000 0.000 0.287 491 I C 1.951 178.047 176.117 -0.035 0.000 1.302 491 I CA 1.137 62.408 61.300 -0.048 0.000 1.368 491 I CB -0.484 37.420 38.000 -0.161 0.000 1.048 491 I HN 0.283 nan 8.210 nan 0.000 0.487 492 S N 1.613 117.257 115.700 -0.093 0.000 2.387 492 S HA -0.282 4.188 4.470 -0.000 0.000 0.230 492 S C 1.897 176.346 174.600 -0.252 0.000 1.035 492 S CA 1.330 59.378 58.200 -0.253 0.000 1.014 492 S CB -0.991 62.032 63.200 -0.295 0.000 0.836 492 S HN 0.656 nan 8.310 nan 0.000 0.466 493 Y N 2.926 123.261 120.300 0.058 0.000 2.181 493 Y HA -0.079 4.471 4.550 -0.000 0.000 0.288 493 Y C 3.358 179.325 175.900 0.111 0.000 1.146 493 Y CA 1.601 59.781 58.100 0.134 0.000 1.164 493 Y CB -1.222 37.341 38.460 0.172 0.000 0.982 493 Y HN 0.629 nan 8.280 nan 0.000 0.515 494 T N -3.419 111.204 114.554 0.114 0.000 2.770 494 T HA -0.121 4.228 4.350 -0.000 0.000 0.258 494 T C 2.016 176.712 174.700 -0.006 0.000 1.039 494 T CA 1.056 63.157 62.100 0.003 0.000 1.143 494 T CB -1.118 67.561 68.868 -0.314 0.000 0.866 494 T HN 0.131 nan 8.240 nan 0.000 0.428 495 V N 1.402 121.262 119.914 -0.090 0.000 2.720 495 V HA 0.003 4.122 4.120 -0.000 0.000 0.256 495 V C 2.416 178.384 176.094 -0.210 0.000 1.082 495 V CA 1.269 63.486 62.300 -0.138 0.000 1.101 495 V CB -0.786 30.941 31.823 -0.161 0.000 0.693 495 V HN 0.513 nan 8.190 nan 0.000 0.479 496 L N -0.458 120.583 121.223 -0.304 0.000 2.187 496 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 496 L C 1.794 178.296 176.870 -0.614 0.000 1.100 496 L CA 2.196 56.727 54.840 -0.514 0.000 0.765 496 L CB -0.561 41.089 42.059 -0.681 0.000 0.904 496 L HN 0.499 nan 8.230 nan 0.000 0.437 497 Y N -1.753 118.496 120.300 -0.084 0.000 2.444 497 Y HA 0.186 4.736 4.550 -0.000 0.000 0.249 497 Y C 2.198 178.053 175.900 -0.075 0.000 1.134 497 Y CA -0.117 57.931 58.100 -0.086 0.000 1.261 497 Y CB -0.410 38.058 38.460 0.012 0.000 1.143 497 Y HN 0.235 nan 8.280 nan 0.000 0.523 498 N N -0.708 117.994 118.700 0.004 0.000 2.207 498 N HA -0.176 4.564 4.740 -0.000 0.000 0.182 498 N C 1.951 177.411 175.510 -0.082 0.000 1.020 498 N CA 1.406 54.433 53.050 -0.039 0.000 0.858 498 N CB -0.532 37.917 38.487 -0.062 0.000 0.991 498 N HN 0.358 nan 8.380 nan 0.000 0.427 499 C N 1.324 120.538 119.300 -0.142 0.000 2.425 499 C HA 0.042 4.502 4.460 -0.000 0.000 0.277 499 C C 2.546 177.464 174.990 -0.121 0.000 1.280 499 C CA 0.376 59.298 59.018 -0.160 0.000 1.744 499 C CB -1.168 26.428 27.740 -0.238 0.000 1.989 499 C HN 0.333 nan 8.230 nan 0.000 0.491 500 L N 0.152 121.262 121.223 -0.187 0.000 2.418 500 L HA 0.111 4.450 4.340 -0.000 0.000 0.218 500 L C 0.929 177.740 176.870 -0.098 0.000 1.125 500 L CA 1.113 55.781 54.840 -0.286 0.000 0.835 500 L CB -0.444 41.095 42.059 -0.866 0.000 0.953 500 L HN 0.313 nan 8.230 nan 0.000 0.454 501 D N 0.252 120.642 120.400 -0.016 0.000 2.697 501 D HA -0.262 4.378 4.640 -0.000 0.000 0.238 501 D C -0.400 176.032 176.300 0.220 0.000 1.152 501 D CA 0.656 54.688 54.000 0.053 0.000 0.666 501 D CB -1.124 39.667 40.800 -0.014 0.000 1.037 501 D HN 0.149 nan 8.370 nan 0.000 0.423 502 F N -0.479 119.460 119.950 -0.019 0.000 2.425 502 F HA 0.452 4.979 4.527 -0.000 0.000 0.331 502 F C -1.440 174.312 175.800 -0.081 0.000 1.085 502 F CA -2.716 55.242 58.000 -0.071 0.000 1.028 502 F CB 1.598 40.626 39.000 0.046 0.000 1.177 502 F HN -0.163 nan 8.300 nan 0.000 0.487 503 P HA 0.105 nan 4.420 nan 0.000 0.265 503 P C -1.338 175.972 177.300 0.017 0.000 1.193 503 P CA 0.125 63.224 63.100 -0.002 0.000 0.765 503 P CB 0.693 32.367 31.700 -0.044 0.000 0.823 504 A N 2.883 125.707 122.820 0.006 0.000 2.437 504 A HA 0.725 5.045 4.320 -0.000 0.000 0.293 504 A C -0.355 177.217 177.584 -0.020 0.000 1.038 504 A CA -0.382 51.636 52.037 -0.032 0.000 0.708 504 A CB 1.513 20.467 19.000 -0.077 0.000 1.251 504 A HN 0.543 nan 8.150 nan 0.000 0.409 505 G N -0.126 108.665 108.800 -0.016 0.000 2.569 505 G HA2 0.619 4.579 3.960 -0.000 0.000 0.300 505 G HA3 0.619 4.579 3.960 -0.000 0.000 0.300 505 G C -1.475 173.405 174.900 -0.034 0.000 1.269 505 G CA -0.644 44.447 45.100 -0.015 0.000 0.959 505 G HN 0.984 nan 8.290 nan 0.000 0.478 506 V N 0.465 120.357 119.914 -0.036 0.000 2.495 506 V HA 0.662 4.782 4.120 -0.000 0.000 0.298 506 V C -0.375 175.698 176.094 -0.035 0.000 1.031 506 V CA -0.699 61.575 62.300 -0.043 0.000 0.871 506 V CB 1.589 33.384 31.823 -0.046 0.000 0.988 506 V HN 0.863 nan 8.190 nan 0.000 0.432 507 V N 6.800 126.684 119.914 -0.050 0.000 2.588 507 V HA 0.746 4.866 4.120 -0.000 0.000 0.304 507 V C -2.627 173.443 176.094 -0.040 0.000 1.042 507 V CA -2.313 59.961 62.300 -0.045 0.000 0.877 507 V CB 2.595 34.376 31.823 -0.070 0.000 0.996 507 V HN 0.749 nan 8.190 nan 0.000 0.425 508 P HA 0.191 nan 4.420 nan 0.000 0.271 508 P C 0.398 177.677 177.300 -0.034 0.000 1.220 508 P CA 0.354 63.441 63.100 -0.022 0.000 0.768 508 P CB 1.520 33.221 31.700 0.001 0.000 0.848 509 V N -0.052 119.834 119.914 -0.046 0.000 3.431 509 V HA 0.349 4.469 4.120 -0.000 0.000 0.255 509 V C 0.528 176.595 176.094 -0.045 0.000 1.403 509 V CA 0.622 62.894 62.300 -0.047 0.000 1.101 509 V CB 0.454 32.243 31.823 -0.056 0.000 0.891 509 V HN 0.621 nan 8.190 nan 0.000 0.446 510 T N 0.719 115.239 114.554 -0.057 0.000 2.749 510 T HA 0.578 4.928 4.350 -0.000 0.000 0.310 510 T C -0.798 173.846 174.700 -0.095 0.000 1.496 510 T CA 0.529 62.593 62.100 -0.060 0.000 1.006 510 T CB 1.843 70.682 68.868 -0.049 0.000 1.457 510 T HN 0.879 nan 8.240 nan 0.000 0.497 511 T N -0.568 113.930 114.554 -0.092 0.000 2.932 511 T HA 0.713 5.063 4.350 -0.000 0.000 0.289 511 T C -0.263 174.379 174.700 -0.097 0.000 1.039 511 T CA -0.705 61.317 62.100 -0.130 0.000 1.024 511 T CB 1.149 69.934 68.868 -0.138 0.000 1.090 511 T HN 0.485 nan 8.240 nan 0.000 0.496 512 V N 3.541 123.387 119.914 -0.114 0.000 2.485 512 V HA 0.300 4.420 4.120 -0.000 0.000 0.287 512 V C 1.470 177.529 176.094 -0.057 0.000 1.022 512 V CA 0.018 62.268 62.300 -0.084 0.000 1.067 512 V CB -0.058 31.706 31.823 -0.099 0.000 0.967 512 V HN 1.209 nan 8.190 nan 0.000 0.479 513 T N 2.811 117.341 114.554 -0.039 0.000 2.847 513 T HA 0.554 4.904 4.350 -0.000 0.000 0.279 513 T C 1.378 176.066 174.700 -0.021 0.000 0.984 513 T CA -0.058 62.028 62.100 -0.024 0.000 0.988 513 T CB 1.615 70.473 68.868 -0.016 0.000 1.040 513 T HN 0.688 nan 8.240 nan 0.000 0.528 514 A N 0.563 123.376 122.820 -0.012 0.000 1.908 514 A HA 0.052 4.372 4.320 -0.000 0.000 0.218 514 A C 2.617 180.196 177.584 -0.007 0.000 1.181 514 A CA 2.277 54.308 52.037 -0.009 0.000 0.627 514 A CB -1.853 17.144 19.000 -0.004 0.000 0.818 514 A HN 1.194 nan 8.150 nan 0.000 0.445 515 E N -0.110 120.087 120.200 -0.005 0.000 2.150 515 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 515 E C 1.639 178.239 176.600 -0.000 0.000 0.985 515 E CA 1.466 57.866 56.400 -0.000 0.000 0.814 515 E CB -0.759 28.942 29.700 0.002 0.000 0.752 515 E HN 0.649 nan 8.360 nan 0.000 0.466 516 D N 0.239 120.635 120.400 -0.008 0.000 2.117 516 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 516 D C 1.440 177.731 176.300 -0.016 0.000 0.982 516 D CA 1.528 55.521 54.000 -0.011 0.000 0.828 516 D CB -0.339 40.446 40.800 -0.024 0.000 0.967 516 D HN 0.464 nan 8.370 nan 0.000 0.464 517 D N -0.978 119.409 120.400 -0.022 0.000 2.355 517 D HA 0.121 4.761 4.640 -0.000 0.000 0.218 517 D C 1.550 177.842 176.300 -0.015 0.000 1.004 517 D CA 0.422 54.405 54.000 -0.028 0.000 0.880 517 D CB 0.292 41.072 40.800 -0.034 0.000 0.911 517 D HN 0.086 nan 8.370 nan 0.000 0.528 518 A N -0.423 122.395 122.820 -0.004 0.000 1.997 518 A HA 0.126 4.446 4.320 -0.000 0.000 0.212 518 A C 2.157 179.750 177.584 0.015 0.000 1.178 518 A CA 1.106 53.146 52.037 0.004 0.000 0.698 518 A CB -0.775 18.228 19.000 0.005 0.000 0.842 518 A HN 0.234 nan 8.150 nan 0.000 0.458 519 Q N -1.063 118.749 119.800 0.019 0.000 2.437 519 Q HA 0.064 4.404 4.340 -0.000 0.000 0.210 519 Q C 1.793 177.826 176.000 0.056 0.000 0.972 519 Q CA 1.787 57.611 55.803 0.036 0.000 0.903 519 Q CB -0.962 27.798 28.738 0.037 0.000 0.967 519 Q HN 0.623 nan 8.270 nan 0.000 0.486 520 M N 0.940 120.559 119.600 0.033 0.000 2.229 520 M HA -0.015 4.465 4.480 -0.000 0.000 0.264 520 M C 2.139 178.473 176.300 0.057 0.000 1.063 520 M CA 1.920 57.235 55.300 0.025 0.000 1.114 520 M CB -0.327 32.250 32.600 -0.039 0.000 1.387 520 M HN 0.602 nan 8.290 nan 0.000 0.420 521 E N -0.657 119.570 120.200 0.045 0.000 2.358 521 E HA 0.212 4.562 4.350 -0.000 0.000 0.195 521 E C 1.637 178.277 176.600 0.068 0.000 1.010 521 E CA 1.186 57.615 56.400 0.050 0.000 0.856 521 E CB -1.357 28.360 29.700 0.029 0.000 0.795 521 E HN 0.644 nan 8.360 nan 0.000 0.504 522 L N -0.615 120.653 121.223 0.075 0.000 2.728 522 L HA 0.608 4.948 4.340 -0.000 0.000 0.235 522 L C 0.866 177.792 176.870 0.094 0.000 1.197 522 L CA -0.294 54.586 54.840 0.067 0.000 0.992 522 L CB -1.515 40.571 42.059 0.045 0.000 1.263 522 L HN 0.528 nan 8.230 nan 0.000 0.484 523 Y N 1.575 121.869 120.300 -0.009 0.000 2.359 523 Y HA 0.497 5.046 4.550 -0.000 0.000 0.334 523 Y C 0.444 176.331 175.900 -0.022 0.000 1.058 523 Y CA 0.347 58.435 58.100 -0.020 0.000 1.244 523 Y CB 0.468 38.919 38.460 -0.016 0.000 1.187 523 Y HN 0.358 nan 8.280 nan 0.000 0.510 524 K N 4.288 124.435 120.400 -0.423 0.000 2.565 524 K HA 0.624 4.944 4.320 -0.000 0.000 0.249 524 K C -0.105 176.098 176.600 -0.663 0.000 0.958 524 K CA -0.340 55.722 56.287 -0.375 0.000 0.806 524 K CB 0.754 33.159 32.500 -0.160 0.000 1.194 524 K HN 1.079 nan 8.250 nan 0.000 0.434 525 G N -0.041 108.403 108.800 -0.593 0.000 2.684 525 G HA2 0.377 4.337 3.960 -0.000 0.000 0.255 525 G HA3 0.377 4.337 3.960 -0.000 0.000 0.255 525 G C 0.234 174.925 174.900 -0.348 0.000 1.219 525 G CA -0.091 44.695 45.100 -0.523 0.000 0.901 525 G HN 0.682 nan 8.290 nan 0.000 0.548 526 Y N -0.817 119.385 120.300 -0.163 0.000 2.632 526 Y HA 0.152 4.702 4.550 -0.000 0.000 0.301 526 Y C 1.591 177.037 175.900 -0.757 0.000 1.172 526 Y CA 0.399 58.236 58.100 -0.438 0.000 1.328 526 Y CB -0.193 37.948 38.460 -0.532 0.000 1.016 526 Y HN 0.429 nan 8.280 nan 0.000 0.529 527 F N -2.564 117.412 119.950 0.043 0.000 2.819 527 F HA 0.364 4.891 4.527 -0.000 0.000 0.325 527 F C 2.051 177.879 175.800 0.047 0.000 1.041 527 F CA 0.361 58.377 58.000 0.028 0.000 1.184 527 F CB 0.210 39.206 39.000 -0.006 0.000 1.019 527 F HN -0.077 nan 8.300 nan 0.000 0.590 528 G N 1.244 110.142 108.800 0.162 0.000 2.196 528 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.268 528 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.268 528 G C 0.104 175.101 174.900 0.162 0.000 0.975 528 G CA 0.798 45.975 45.100 0.128 0.000 0.648 528 G HN 0.489 nan 8.290 nan 0.000 0.538 529 D N 0.061 120.566 120.400 0.175 0.000 2.380 529 D HA 0.336 4.976 4.640 -0.000 0.000 0.254 529 D C 2.087 178.322 176.300 -0.109 0.000 1.288 529 D CA -0.215 53.776 54.000 -0.015 0.000 1.008 529 D CB 0.102 40.817 40.800 -0.142 0.000 1.099 529 D HN 0.490 nan 8.370 nan 0.000 0.537 530 I N -1.604 118.770 120.570 -0.326 0.000 2.567 530 I HA -0.128 4.042 4.170 -0.000 0.000 0.257 530 I C 0.824 176.945 176.117 0.007 0.000 1.184 530 I CA 0.869 62.046 61.300 -0.204 0.000 1.451 530 I CB -0.995 36.820 38.000 -0.308 0.000 1.089 530 I HN 0.404 nan 8.210 nan 0.000 0.441 531 W N 2.148 123.403 121.300 -0.074 0.000 2.409 531 W HA -0.078 4.581 4.660 -0.000 0.000 0.299 531 W C 2.316 178.859 176.519 0.040 0.000 1.203 531 W CA 0.953 58.280 57.345 -0.031 0.000 1.298 531 W CB -1.278 28.147 29.460 -0.058 0.000 1.127 531 W HN 0.257 nan 8.180 nan 0.000 0.528 532 D N -0.056 120.522 120.400 0.298 0.000 2.144 532 D HA -0.136 4.503 4.640 -0.000 0.000 0.200 532 D C 2.177 178.619 176.300 0.237 0.000 0.978 532 D CA 1.119 55.291 54.000 0.286 0.000 0.833 532 D CB -0.372 40.569 40.800 0.236 0.000 0.961 532 D HN -0.015 nan 8.370 nan 0.000 0.470 533 I N 0.685 121.348 120.570 0.155 0.000 2.179 533 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 533 I C 2.482 178.652 176.117 0.089 0.000 1.088 533 I CA 0.709 62.074 61.300 0.108 0.000 1.357 533 I CB -0.906 37.130 38.000 0.059 0.000 1.051 533 I HN -0.004 nan 8.210 nan 0.000 0.409 534 I N -0.068 120.558 120.570 0.094 0.000 2.315 534 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 534 I C 2.360 178.505 176.117 0.047 0.000 1.117 534 I CA 0.781 62.121 61.300 0.068 0.000 1.404 534 I CB -0.201 37.850 38.000 0.086 0.000 1.071 534 I HN 0.126 nan 8.210 nan 0.000 0.419 535 L N 0.893 122.166 121.223 0.083 0.000 2.083 535 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 535 L C 2.397 179.188 176.870 -0.132 0.000 1.083 535 L CA 1.838 56.691 54.840 0.022 0.000 0.752 535 L CB -0.865 41.264 42.059 0.117 0.000 0.899 535 L HN 0.199 nan 8.230 nan 0.000 0.433 536 K N -0.125 120.230 120.400 -0.076 0.000 2.025 536 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 536 K C 2.172 178.710 176.600 -0.103 0.000 1.049 536 K CA 2.101 58.303 56.287 -0.143 0.000 0.933 536 K CB -0.138 32.427 32.500 0.108 0.000 0.714 536 K HN 0.181 nan 8.250 nan 0.000 0.438 537 K N 0.316 120.691 120.400 -0.041 0.000 2.217 537 K HA 0.151 4.471 4.320 -0.000 0.000 0.202 537 K C 2.051 178.615 176.600 -0.059 0.000 1.051 537 K CA 1.215 57.479 56.287 -0.038 0.000 0.952 537 K CB -0.765 31.728 32.500 -0.012 0.000 0.736 537 K HN 0.445 nan 8.250 nan 0.000 0.453 538 A N 0.223 123.001 122.820 -0.070 0.000 1.968 538 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 538 A C 2.331 179.844 177.584 -0.118 0.000 1.169 538 A CA 1.548 53.536 52.037 -0.081 0.000 0.638 538 A CB -0.132 18.828 19.000 -0.067 0.000 0.812 538 A HN 0.484 nan 8.150 nan 0.000 0.446 539 M N -0.495 119.015 119.600 -0.150 0.000 2.465 539 M HA 0.086 4.566 4.480 -0.000 0.000 0.249 539 M C 1.293 177.500 176.300 -0.157 0.000 1.130 539 M CA 0.535 55.726 55.300 -0.183 0.000 1.067 539 M CB -0.118 32.340 32.600 -0.237 0.000 1.394 539 M HN 0.370 nan 8.290 nan 0.000 0.483 540 K N 1.235 121.559 120.400 -0.126 0.000 2.149 540 K HA 0.114 4.433 4.320 -0.000 0.000 0.245 540 K C 0.518 177.073 176.600 -0.076 0.000 1.024 540 K CA 0.165 56.398 56.287 -0.090 0.000 0.899 540 K CB -0.246 32.215 32.500 -0.065 0.000 1.038 540 K HN 0.434 nan 8.250 nan 0.000 0.496 541 N N -0.759 117.907 118.700 -0.056 0.000 2.780 541 N HA -0.152 4.588 4.740 -0.000 0.000 0.247 541 N C -0.370 175.109 175.510 -0.051 0.000 1.076 541 N CA 1.202 54.226 53.050 -0.044 0.000 0.688 541 N CB -1.641 36.825 38.487 -0.035 0.000 0.957 541 N HN 0.529 nan 8.380 nan 0.000 0.551 542 S N -1.297 114.366 115.700 -0.062 0.000 2.937 542 S HA 0.223 4.693 4.470 -0.000 0.000 0.252 542 S C -0.024 174.532 174.600 -0.074 0.000 1.022 542 S CA -0.141 58.011 58.200 -0.081 0.000 1.079 542 S CB 0.835 63.962 63.200 -0.121 0.000 1.035 542 S HN 0.294 nan 8.310 nan 0.000 0.594 543 V N 2.230 122.117 119.914 -0.045 0.000 2.493 543 V HA 0.420 4.540 4.120 -0.000 0.000 0.292 543 V C 1.409 177.488 176.094 -0.025 0.000 1.016 543 V CA 0.831 63.110 62.300 -0.036 0.000 1.097 543 V CB -0.278 31.535 31.823 -0.017 0.000 0.947 543 V HN 0.665 nan 8.190 nan 0.000 0.479 544 G N 4.123 112.894 108.800 -0.049 0.000 2.132 544 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.228 544 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.228 544 G C -0.236 174.566 174.900 -0.164 0.000 1.000 544 G CA -0.301 44.774 45.100 -0.042 0.000 0.693 544 G HN 0.490 nan 8.290 nan 0.000 0.515 545 L N 0.337 121.409 121.223 -0.253 0.000 2.331 545 L HA 0.511 4.851 4.340 -0.000 0.000 0.275 545 L C -2.017 174.553 176.870 -0.501 0.000 1.022 545 L CA -1.794 52.770 54.840 -0.459 0.000 0.812 545 L CB 1.654 43.540 42.059 -0.288 0.000 1.257 545 L HN -0.115 nan 8.230 nan 0.000 0.435 546 P HA 0.204 nan 4.420 nan 0.000 0.276 546 P C -0.928 176.233 177.300 -0.232 0.000 1.230 546 P CA -0.243 62.597 63.100 -0.434 0.000 0.776 546 P CB 1.042 32.471 31.700 -0.451 0.000 0.888 547 V N 2.344 122.166 119.914 -0.153 0.000 2.540 547 V HA 0.762 4.882 4.120 -0.000 0.000 0.302 547 V C 0.180 176.240 176.094 -0.057 0.000 1.035 547 V CA -0.631 61.618 62.300 -0.085 0.000 0.873 547 V CB 1.575 33.349 31.823 -0.082 0.000 0.992 547 V HN 0.708 nan 8.190 nan 0.000 0.428 548 A N 3.718 126.524 122.820 -0.024 0.000 2.387 548 A HA 0.983 5.303 4.320 -0.000 0.000 0.298 548 A C -1.042 176.519 177.584 -0.038 0.000 1.165 548 A CA -0.715 51.306 52.037 -0.026 0.000 0.814 548 A CB 2.120 21.119 19.000 -0.002 0.000 1.357 548 A HN 0.710 nan 8.150 nan 0.000 0.443 549 V N -0.517 119.365 119.914 -0.052 0.000 3.074 549 V HA 0.561 4.681 4.120 -0.000 0.000 0.314 549 V C -0.752 175.303 176.094 -0.065 0.000 1.117 549 V CA -0.515 61.747 62.300 -0.064 0.000 1.014 549 V CB 2.052 33.833 31.823 -0.070 0.000 1.057 549 V HN 0.974 nan 8.190 nan 0.000 0.438 550 Q N 1.594 121.358 119.800 -0.060 0.000 2.337 550 Q HA 0.560 4.900 4.340 -0.000 0.000 0.266 550 Q C -1.821 174.174 176.000 -0.008 0.000 1.023 550 Q CA -0.489 55.284 55.803 -0.049 0.000 0.829 550 Q CB 1.832 30.543 28.738 -0.046 0.000 1.306 550 Q HN 0.812 nan 8.270 nan 0.000 0.449 551 C N 3.263 122.575 119.300 0.020 0.000 2.369 551 C HA 0.726 5.186 4.460 -0.000 0.000 0.322 551 C C -0.669 174.389 174.990 0.112 0.000 1.258 551 C CA -0.650 58.474 59.018 0.176 0.000 1.487 551 C CB 0.853 28.687 27.740 0.157 0.000 2.165 551 C HN 0.587 nan 8.230 nan 0.000 0.483 552 V N 2.971 122.956 119.914 0.117 0.000 2.638 552 V HA 0.872 4.991 4.120 -0.000 0.000 0.306 552 V C 0.190 176.387 176.094 0.171 0.000 1.052 552 V CA -0.157 62.166 62.300 0.039 0.000 0.885 552 V CB 1.568 33.290 31.823 -0.168 0.000 0.999 552 V HN 1.078 nan 8.190 nan 0.000 0.424 553 A N 4.157 127.003 122.820 0.043 0.000 2.387 553 A HA 0.927 5.247 4.320 -0.000 0.000 0.298 553 A C -0.525 176.697 177.584 -0.603 0.000 1.165 553 A CA -0.846 51.126 52.037 -0.108 0.000 0.814 553 A CB 1.022 19.971 19.000 -0.084 0.000 1.357 553 A HN 0.763 nan 8.150 nan 0.000 0.443 554 L N 0.700 121.321 121.223 -1.003 0.000 2.476 554 L HA 0.210 4.550 4.340 -0.000 0.000 0.264 554 L C -1.998 174.382 176.870 -0.816 0.000 1.224 554 L CA -1.427 52.597 54.840 -1.359 0.000 0.821 554 L CB 0.238 41.617 42.059 -1.133 0.000 1.101 554 L HN 0.405 nan 8.230 nan 0.000 0.488 555 P HA -0.073 nan 4.420 nan 0.000 0.265 555 P C -0.824 176.274 177.300 -0.337 0.000 1.193 555 P CA 0.350 63.128 63.100 -0.537 0.000 0.765 555 P CB 0.181 31.610 31.700 -0.452 0.000 0.823 556 W N 0.244 121.467 121.300 -0.127 0.000 1.446 556 W HA -0.201 4.459 4.660 -0.000 0.000 0.238 556 W C 0.502 176.949 176.519 -0.119 0.000 0.976 556 W CA 0.116 57.400 57.345 -0.102 0.000 0.404 556 W CB -2.128 27.275 29.460 -0.095 0.000 1.980 556 W HN 0.343 nan 8.180 nan 0.000 1.274 557 Q N 1.414 121.198 119.800 -0.025 0.000 3.247 557 Q HA 0.130 4.470 4.340 -0.000 0.000 0.326 557 Q C 1.080 177.051 176.000 -0.048 0.000 1.402 557 Q CA 0.606 56.375 55.803 -0.057 0.000 0.994 557 Q CB 0.416 29.085 28.738 -0.115 0.000 1.647 557 Q HN 0.363 nan 8.270 nan 0.000 0.523 558 E N 1.140 121.328 120.200 -0.020 0.000 2.106 558 E HA -0.177 4.172 4.350 -0.000 0.000 0.192 558 E C 1.575 178.177 176.600 0.004 0.000 0.984 558 E CA 1.187 57.588 56.400 0.002 0.000 0.806 558 E CB 0.360 30.086 29.700 0.043 0.000 0.750 558 E HN 0.474 nan 8.360 nan 0.000 0.458 559 E N 0.293 120.442 120.200 -0.086 0.000 2.318 559 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 559 E C 2.034 178.678 176.600 0.074 0.000 0.998 559 E CA 0.293 56.621 56.400 -0.120 0.000 0.859 559 E CB -0.305 29.045 29.700 -0.584 0.000 0.812 559 E HN 0.210 nan 8.360 nan 0.000 0.492 560 L N 1.529 122.770 121.223 0.029 0.000 2.046 560 L HA -0.085 4.254 4.340 -0.000 0.000 0.208 560 L C 2.491 179.438 176.870 0.129 0.000 1.077 560 L CA 1.532 56.411 54.840 0.065 0.000 0.747 560 L CB -0.878 41.188 42.059 0.012 0.000 0.896 560 L HN 0.304 nan 8.230 nan 0.000 0.432 561 C N -0.839 118.526 119.300 0.109 0.000 2.429 561 C HA -0.121 4.339 4.460 -0.000 0.000 0.277 561 C C 2.760 177.871 174.990 0.201 0.000 1.262 561 C CA 0.855 59.967 59.018 0.157 0.000 1.733 561 C CB -1.044 26.748 27.740 0.086 0.000 2.010 561 C HN 0.603 nan 8.230 nan 0.000 0.483 562 L N 0.673 122.016 121.223 0.200 0.000 2.093 562 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 562 L C 3.010 180.144 176.870 0.440 0.000 1.085 562 L CA 1.380 56.379 54.840 0.266 0.000 0.755 562 L CB -0.842 41.331 42.059 0.190 0.000 0.904 562 L HN 0.364 nan 8.230 nan 0.000 0.435 563 R N 0.659 121.426 120.500 0.446 0.000 2.094 563 R HA -0.270 4.070 4.340 -0.000 0.000 0.239 563 R C 2.320 178.723 176.300 0.170 0.000 1.137 563 R CA 2.238 58.465 56.100 0.212 0.000 0.943 563 R CB -0.898 29.482 30.300 0.133 0.000 0.850 563 R HN 0.359 nan 8.270 nan 0.000 0.433 564 F N 0.630 120.602 119.950 0.036 0.000 2.259 564 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 564 F C 2.367 178.159 175.800 -0.013 0.000 1.088 564 F CA 1.074 59.059 58.000 -0.025 0.000 1.358 564 F CB -0.004 38.975 39.000 -0.036 0.000 1.040 564 F HN -0.002 nan 8.300 nan 0.000 0.505 565 M N -0.116 119.431 119.600 -0.088 0.000 2.117 565 M HA -0.202 4.277 4.480 -0.000 0.000 0.262 565 M C 2.424 178.653 176.300 -0.119 0.000 1.065 565 M CA 1.605 56.806 55.300 -0.164 0.000 1.114 565 M CB -0.461 32.133 32.600 -0.009 0.000 1.361 565 M HN 0.072 nan 8.290 nan 0.000 0.408 566 R N 0.337 120.840 120.500 0.004 0.000 2.081 566 R HA -0.205 4.135 4.340 -0.000 0.000 0.235 566 R C 1.932 178.205 176.300 -0.044 0.000 1.131 566 R CA 1.938 58.050 56.100 0.020 0.000 0.960 566 R CB -0.128 30.214 30.300 0.070 0.000 0.856 566 R HN 0.332 nan 8.270 nan 0.000 0.436 567 E N -0.054 120.101 120.200 -0.075 0.000 2.023 567 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 567 E C 1.901 178.415 176.600 -0.143 0.000 1.003 567 E CA 1.882 58.234 56.400 -0.080 0.000 0.809 567 E CB -0.179 29.489 29.700 -0.053 0.000 0.755 567 E HN 0.126 nan 8.360 nan 0.000 0.449 568 V N 1.174 120.904 119.914 -0.308 0.000 2.324 568 V HA -0.290 3.830 4.120 -0.000 0.000 0.250 568 V C 2.463 178.456 176.094 -0.168 0.000 1.060 568 V CA 2.355 64.467 62.300 -0.313 0.000 1.042 568 V CB -0.631 30.868 31.823 -0.541 0.000 0.650 568 V HN 0.421 nan 8.190 nan 0.000 0.450 569 E N -0.691 119.430 120.200 -0.131 0.000 2.072 569 E HA -0.258 4.092 4.350 -0.000 0.000 0.191 569 E C 2.354 178.931 176.600 -0.039 0.000 0.985 569 E CA 1.120 57.481 56.400 -0.065 0.000 0.801 569 E CB -0.095 29.585 29.700 -0.035 0.000 0.750 569 E HN 0.511 nan 8.360 nan 0.000 0.452 570 Q N 0.362 120.141 119.800 -0.035 0.000 2.119 570 Q HA -0.128 4.211 4.340 -0.000 0.000 0.201 570 Q C 2.369 178.362 176.000 -0.011 0.000 0.972 570 Q CA 0.959 56.753 55.803 -0.014 0.000 0.847 570 Q CB -0.011 28.723 28.738 -0.007 0.000 0.903 570 Q HN 0.382 nan 8.270 nan 0.000 0.433 571 L N -0.491 120.720 121.223 -0.020 0.000 2.023 571 L HA -0.154 4.185 4.340 -0.000 0.000 0.205 571 L C 2.419 179.278 176.870 -0.018 0.000 1.073 571 L CA 0.772 55.604 54.840 -0.012 0.000 0.745 571 L CB -0.470 41.584 42.059 -0.009 0.000 0.900 571 L HN 0.178 nan 8.230 nan 0.000 0.435 572 M N -0.684 118.897 119.600 -0.032 0.000 2.394 572 M HA 0.017 4.497 4.480 -0.000 0.000 0.264 572 M C 0.940 177.230 176.300 -0.016 0.000 1.073 572 M CA 0.956 56.239 55.300 -0.029 0.000 1.111 572 M CB -1.130 31.443 32.600 -0.044 0.000 1.401 572 M HN 0.228 nan 8.290 nan 0.000 0.448 573 T N 0.000 114.548 114.554 -0.011 0.000 3.816 573 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 573 T CA 0.000 62.101 62.100 0.001 0.000 1.349 573 T CB 0.000 68.872 68.868 0.006 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658