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_L 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 0.000 177.573 177.584 -0.018 0.000 1.274 37 A CA 0.000 52.025 52.037 -0.019 0.000 0.836 37 A CB 0.000 18.980 19.000 -0.034 0.000 0.831 38 R N 0.571 121.052 120.500 -0.031 0.000 2.193 38 R HA 0.313 4.654 4.340 0.001 0.000 0.213 38 R C 2.340 178.742 176.300 0.169 0.000 1.055 38 R CA 1.878 57.984 56.100 0.010 0.000 0.995 38 R CB -1.675 28.530 30.300 -0.159 0.000 0.893 38 R HN 1.300 nan 8.270 nan 0.000 0.459 39 G N 0.404 109.297 108.800 0.154 0.000 2.485 39 G HA2 0.045 4.006 3.960 0.001 0.000 0.221 39 G HA3 0.045 4.006 3.960 0.001 0.000 0.221 39 G C 1.388 176.324 174.900 0.060 0.000 1.115 39 G CA 0.704 45.891 45.100 0.144 0.000 0.751 39 G HN 0.890 nan 8.290 nan 0.000 0.567 40 A N 0.548 123.387 122.820 0.031 0.000 2.958 40 A HA 0.649 4.969 4.320 0.001 0.000 0.247 40 A C 1.906 179.471 177.584 -0.031 0.000 1.679 40 A CA 0.847 52.882 52.037 -0.004 0.000 1.345 40 A CB -0.491 18.505 19.000 -0.008 0.000 1.013 40 A HN 0.550 nan 8.150 nan 0.000 0.641 41 A N -0.206 122.592 122.820 -0.036 0.000 2.123 41 A HA 0.066 4.387 4.320 0.001 0.000 0.214 41 A C 2.057 179.561 177.584 -0.134 0.000 1.152 41 A CA 1.503 53.470 52.037 -0.116 0.000 0.728 41 A CB -0.493 18.443 19.000 -0.106 0.000 0.814 41 A HN 0.731 nan 8.150 nan 0.000 0.464 42 T N -3.339 111.170 114.554 -0.075 0.000 3.129 42 T HA 0.092 4.443 4.350 0.001 0.000 0.251 42 T C 1.570 176.245 174.700 -0.040 0.000 1.117 42 T CA 0.664 62.729 62.100 -0.057 0.000 1.034 42 T CB -0.119 68.728 68.868 -0.034 0.000 0.968 42 T HN 0.418 nan 8.240 nan 0.000 0.526 43 R N 0.338 120.812 120.500 -0.044 0.000 2.240 43 R HA 0.388 4.729 4.340 0.001 0.000 0.203 43 R C 2.257 178.535 176.300 -0.037 0.000 1.011 43 R CA 0.810 56.893 56.100 -0.028 0.000 1.007 43 R CB -0.236 30.053 30.300 -0.019 0.000 0.911 43 R HN 0.473 nan 8.270 nan 0.000 0.468 44 A N -0.196 122.558 122.820 -0.109 0.000 1.942 44 A HA 0.081 4.402 4.320 0.001 0.000 0.209 44 A C 1.932 179.445 177.584 -0.118 0.000 1.214 44 A CA 0.193 52.126 52.037 -0.173 0.000 0.686 44 A CB -0.118 18.579 19.000 -0.505 0.000 0.871 44 A HN 0.165 nan 8.150 nan 0.000 0.460 45 R N 0.038 120.449 120.500 -0.149 0.000 2.152 45 R HA -0.194 4.146 4.340 0.001 0.000 0.232 45 R C 2.397 178.716 176.300 0.033 0.000 1.117 45 R CA 1.713 57.790 56.100 -0.038 0.000 0.981 45 R CB -0.130 30.132 30.300 -0.063 0.000 0.870 45 R HN 0.800 nan 8.270 nan 0.000 0.451 46 Q N 0.181 119.993 119.800 0.020 0.000 2.167 46 Q HA -0.154 4.186 4.340 0.001 0.000 0.202 46 Q C 1.656 177.703 176.000 0.078 0.000 0.970 46 Q CA 1.611 57.440 55.803 0.044 0.000 0.855 46 Q CB -0.053 28.702 28.738 0.028 0.000 0.911 46 Q HN 0.086 nan 8.270 nan 0.000 0.438 47 K N 0.072 120.533 120.400 0.102 0.000 2.062 47 K HA -0.129 4.192 4.320 0.001 0.000 0.205 47 K C 2.319 179.029 176.600 0.182 0.000 1.051 47 K CA 1.219 57.591 56.287 0.142 0.000 0.941 47 K CB -0.027 32.575 32.500 0.169 0.000 0.719 47 K HN 0.421 nan 8.250 nan 0.000 0.440 48 Q N 0.322 120.263 119.800 0.235 0.000 2.030 48 Q HA -0.264 4.077 4.340 0.001 0.000 0.204 48 Q C 2.297 178.389 176.000 0.154 0.000 0.986 48 Q CA 2.369 58.305 55.803 0.222 0.000 0.843 48 Q CB -0.110 28.814 28.738 0.310 0.000 0.904 48 Q HN 0.276 nan 8.270 nan 0.000 0.420 49 R N 0.249 120.827 120.500 0.130 0.000 2.091 49 R HA -0.071 4.270 4.340 0.001 0.000 0.238 49 R C 2.200 178.570 176.300 0.115 0.000 1.136 49 R CA 1.844 58.009 56.100 0.108 0.000 0.959 49 R CB -1.640 28.709 30.300 0.081 0.000 0.856 49 R HN 0.571 nan 8.270 nan 0.000 0.437 50 A N -0.370 122.517 122.820 0.112 0.000 1.873 50 A HA -0.039 4.282 4.320 0.001 0.000 0.215 50 A C 2.591 180.254 177.584 0.130 0.000 1.186 50 A CA 1.773 53.874 52.037 0.108 0.000 0.616 50 A CB -0.577 18.480 19.000 0.096 0.000 0.823 50 A HN 0.493 nan 8.150 nan 0.000 0.442 51 S N -0.921 114.873 115.700 0.157 0.000 2.423 51 S HA -0.035 4.436 4.470 0.001 0.000 0.231 51 S C 1.670 176.373 174.600 0.173 0.000 1.014 51 S CA 0.960 59.281 58.200 0.201 0.000 0.965 51 S CB -0.302 63.035 63.200 0.228 0.000 0.785 51 S HN 0.382 nan 8.310 nan 0.000 0.495 52 L N 1.571 122.897 121.223 0.172 0.000 2.313 52 L HA 0.081 4.422 4.340 0.001 0.000 0.214 52 L C 2.595 179.634 176.870 0.283 0.000 1.119 52 L CA 1.787 56.772 54.840 0.242 0.000 0.809 52 L CB -0.688 41.496 42.059 0.208 0.000 0.933 52 L HN 0.415 nan 8.230 nan 0.000 0.449 53 E N -1.596 118.702 120.200 0.164 0.000 2.190 53 E HA -0.085 4.265 4.350 0.001 0.000 0.191 53 E C 2.024 178.626 176.600 0.003 0.000 0.978 53 E CA 1.183 57.635 56.400 0.086 0.000 0.839 53 E CB -1.064 28.685 29.700 0.083 0.000 0.787 53 E HN 0.504 nan 8.360 nan 0.000 0.473 54 T N 0.301 114.872 114.554 0.028 0.000 3.007 54 T HA 0.031 4.381 4.350 0.001 0.000 0.270 54 T C 2.066 176.658 174.700 -0.181 0.000 1.107 54 T CA 1.228 63.332 62.100 0.007 0.000 1.118 54 T CB -0.181 68.771 68.868 0.140 0.000 0.889 54 T HN 0.350 nan 8.240 nan 0.000 0.506 55 M N 0.864 120.298 119.600 -0.276 0.000 2.216 55 M HA 0.017 4.497 4.480 0.001 0.000 0.264 55 M C 2.200 178.261 176.300 -0.397 0.000 1.080 55 M CA 1.301 56.340 55.300 -0.435 0.000 1.153 55 M CB -0.107 32.354 32.600 -0.231 0.000 1.356 55 M HN 0.066 nan 8.290 nan 0.000 0.432 56 D N 0.685 120.781 120.400 -0.507 0.000 2.144 56 D HA -0.127 4.514 4.640 0.001 0.000 0.200 56 D C 2.063 178.122 176.300 -0.402 0.000 0.978 56 D CA 2.070 55.603 54.000 -0.779 0.000 0.833 56 D CB 0.194 40.438 40.800 -0.926 0.000 0.961 56 D HN 0.179 nan 8.370 nan 0.000 0.470 57 K N 0.321 120.584 120.400 -0.229 0.000 2.155 57 K HA 0.228 4.549 4.320 0.001 0.000 0.203 57 K C 2.225 178.782 176.600 -0.072 0.000 1.052 57 K CA 1.349 57.562 56.287 -0.123 0.000 0.948 57 K CB -1.050 31.413 32.500 -0.062 0.000 0.728 57 K HN 0.292 nan 8.250 nan 0.000 0.448 58 A N 1.011 123.807 122.820 -0.040 0.000 1.969 58 A HA 0.048 4.369 4.320 0.001 0.000 0.218 58 A C 2.404 180.058 177.584 0.117 0.000 1.169 58 A CA 1.925 54.029 52.037 0.113 0.000 0.635 58 A CB -0.469 18.680 19.000 0.248 0.000 0.810 58 A HN 0.989 nan 8.150 nan 0.000 0.445 59 V N -3.515 116.417 119.914 0.030 0.000 3.649 59 V HA 0.134 4.254 4.120 0.001 0.000 0.275 59 V C 1.518 177.599 176.094 -0.022 0.000 1.281 59 V CA 1.326 63.654 62.300 0.048 0.000 1.143 59 V CB -0.197 31.611 31.823 -0.025 0.000 0.892 59 V HN 0.508 nan 8.190 nan 0.000 0.441 60 Q N 0.299 120.051 119.800 -0.081 0.000 2.373 60 Q HA 0.201 4.542 4.340 0.001 0.000 0.210 60 Q C 2.534 178.493 176.000 -0.069 0.000 0.913 60 Q CA 1.144 56.895 55.803 -0.086 0.000 0.911 60 Q CB 0.188 28.854 28.738 -0.121 0.000 1.040 60 Q HN 0.728 nan 8.270 nan 0.000 0.521 61 R N 0.090 120.551 120.500 -0.066 0.000 2.092 61 R HA -0.118 4.223 4.340 0.001 0.000 0.231 61 R C 1.613 177.849 176.300 -0.107 0.000 1.119 61 R CA 1.467 57.519 56.100 -0.080 0.000 0.970 61 R CB -1.383 28.876 30.300 -0.069 0.000 0.864 61 R HN 0.351 nan 8.270 nan 0.000 0.440 62 F N 1.278 121.050 119.950 -0.298 0.000 2.098 62 F HA -0.002 4.526 4.527 0.001 0.000 0.294 62 F C 3.020 178.707 175.800 -0.189 0.000 1.107 62 F CA 2.449 60.244 58.000 -0.342 0.000 1.234 62 F CB -0.331 38.351 39.000 -0.529 0.000 1.002 62 F HN 0.314 nan 8.300 nan 0.000 0.472 63 R N 0.730 121.217 120.500 -0.021 0.000 2.189 63 R HA 0.091 4.431 4.340 0.001 0.000 0.218 63 R C 2.187 178.399 176.300 -0.146 0.000 1.074 63 R CA 1.478 57.532 56.100 -0.076 0.000 0.991 63 R CB -2.210 28.110 30.300 0.032 0.000 0.883 63 R HN 0.470 nan 8.270 nan 0.000 0.457 64 L N -0.671 120.470 121.223 -0.137 0.000 2.005 64 L HA 0.062 4.403 4.340 0.001 0.000 0.207 64 L C 2.838 179.600 176.870 -0.179 0.000 1.072 64 L CA 2.784 57.545 54.840 -0.132 0.000 0.744 64 L CB -1.878 40.119 42.059 -0.102 0.000 0.895 64 L HN 0.671 nan 8.230 nan 0.000 0.433 65 Q N -0.852 118.805 119.800 -0.240 0.000 2.444 65 Q HA 0.111 4.452 4.340 0.001 0.000 0.206 65 Q C 1.067 176.845 176.000 -0.370 0.000 0.948 65 Q CA 0.932 56.578 55.803 -0.262 0.000 0.946 65 Q CB -0.771 27.827 28.738 -0.233 0.000 1.027 65 Q HN 0.935 nan 8.270 nan 0.000 0.513 66 N N -0.293 118.123 118.700 -0.474 0.000 2.639 66 N HA 0.149 4.890 4.740 0.001 0.000 0.265 66 N C -2.454 172.869 175.510 -0.312 0.000 1.689 66 N CA -0.726 52.026 53.050 -0.496 0.000 0.813 66 N CB 1.685 39.583 38.487 -0.982 0.000 1.353 66 N HN 0.166 nan 8.380 nan 0.000 0.510 67 P HA 0.117 nan 4.420 nan 0.000 0.249 67 P C 0.537 177.791 177.300 -0.077 0.000 1.229 67 P CA 0.755 63.784 63.100 -0.118 0.000 0.788 67 P CB 0.038 31.680 31.700 -0.097 0.000 1.072 68 D N -0.492 119.860 120.400 -0.079 0.000 2.350 68 D HA 0.315 4.956 4.640 0.001 0.000 0.213 68 D C 1.050 177.332 176.300 -0.029 0.000 1.031 68 D CA 0.270 54.241 54.000 -0.049 0.000 0.861 68 D CB -0.391 40.380 40.800 -0.050 0.000 0.926 68 D HN 0.263 nan 8.370 nan 0.000 0.520 69 L N 0.703 121.913 121.223 -0.022 0.000 2.326 69 L HA 0.597 4.938 4.340 0.001 0.000 0.278 69 L C 0.318 177.194 176.870 0.011 0.000 1.092 69 L CA -0.740 54.106 54.840 0.009 0.000 0.810 69 L CB 0.860 42.950 42.059 0.051 0.000 1.153 69 L HN 0.174 nan 8.230 nan 0.000 0.439 70 D N 1.870 122.272 120.400 0.004 0.000 2.371 70 D HA 0.181 4.822 4.640 0.001 0.000 0.256 70 D C 1.227 177.518 176.300 -0.015 0.000 1.193 70 D CA 0.834 54.830 54.000 -0.006 0.000 0.881 70 D CB 1.679 42.473 40.800 -0.010 0.000 1.143 70 D HN 0.654 nan 8.370 nan 0.000 0.473 71 S N 3.073 118.762 115.700 -0.018 0.000 2.349 71 S HA -0.191 4.280 4.470 0.001 0.000 0.216 71 S C 2.019 176.579 174.600 -0.067 0.000 1.033 71 S CA 1.778 59.957 58.200 -0.036 0.000 1.021 71 S CB -0.195 62.994 63.200 -0.019 0.000 0.968 71 S HN 0.714 nan 8.310 nan 0.000 0.426 72 E N 0.613 120.785 120.200 -0.047 0.000 2.150 72 E HA 0.105 4.455 4.350 0.001 0.000 0.193 72 E C 1.988 178.557 176.600 -0.051 0.000 0.985 72 E CA 1.371 57.743 56.400 -0.048 0.000 0.814 72 E CB -1.030 28.654 29.700 -0.027 0.000 0.752 72 E HN 0.624 nan 8.360 nan 0.000 0.466 73 A N 0.085 122.880 122.820 -0.042 0.000 2.014 73 A HA 0.119 4.440 4.320 0.001 0.000 0.218 73 A C 2.298 179.854 177.584 -0.046 0.000 1.163 73 A CA 1.209 53.227 52.037 -0.032 0.000 0.652 73 A CB -0.192 18.797 19.000 -0.019 0.000 0.808 73 A HN 0.439 nan 8.150 nan 0.000 0.449 74 L N -0.126 121.045 121.223 -0.087 0.000 2.017 74 L HA -0.111 4.230 4.340 0.001 0.000 0.208 74 L C 2.286 179.038 176.870 -0.196 0.000 1.073 74 L CA 1.913 56.665 54.840 -0.147 0.000 0.745 74 L CB -0.951 40.975 42.059 -0.221 0.000 0.894 74 L HN 0.486 nan 8.230 nan 0.000 0.432 75 L N -1.011 120.082 121.223 -0.218 0.000 2.240 75 L HA -0.094 4.247 4.340 0.001 0.000 0.211 75 L C 2.260 179.148 176.870 0.029 0.000 1.106 75 L CA 1.269 56.020 54.840 -0.149 0.000 0.793 75 L CB -1.006 40.982 42.059 -0.118 0.000 0.927 75 L HN 0.292 nan 8.230 nan 0.000 0.446 76 T N -2.561 111.994 114.554 0.002 0.000 3.113 76 T HA 0.108 4.459 4.350 0.001 0.000 0.256 76 T C 0.677 175.400 174.700 0.037 0.000 1.131 76 T CA -0.194 61.921 62.100 0.025 0.000 1.074 76 T CB -0.166 68.707 68.868 0.009 0.000 0.944 76 T HN -0.077 nan 8.240 nan 0.000 0.516 77 L N 3.532 124.777 121.223 0.036 0.000 2.477 77 L HA 0.344 4.685 4.340 0.001 0.000 0.272 77 L C -2.142 174.771 176.870 0.072 0.000 1.157 77 L CA -2.113 52.755 54.840 0.047 0.000 0.889 77 L CB 0.194 42.277 42.059 0.040 0.000 1.158 77 L HN 0.034 nan 8.230 nan 0.000 0.473 78 P HA -0.031 nan 4.420 nan 0.000 0.269 78 P C 0.617 177.952 177.300 0.058 0.000 1.215 78 P CA -0.407 62.728 63.100 0.058 0.000 0.780 78 P CB 0.562 32.290 31.700 0.047 0.000 0.898 79 L N 2.757 124.010 121.223 0.049 0.000 2.131 79 L HA -0.145 4.195 4.340 0.001 0.000 0.210 79 L C 1.684 178.575 176.870 0.033 0.000 1.092 79 L CA 1.863 56.726 54.840 0.038 0.000 0.759 79 L CB -1.017 41.047 42.059 0.009 0.000 0.903 79 L HN 0.248 nan 8.230 nan 0.000 0.435 80 L N -0.629 120.614 121.223 0.034 0.000 2.012 80 L HA -0.210 4.131 4.340 0.001 0.000 0.210 80 L C 2.612 179.505 176.870 0.038 0.000 1.073 80 L CA 1.700 56.561 54.840 0.034 0.000 0.748 80 L CB -2.090 39.993 42.059 0.041 0.000 0.891 80 L HN 0.439 nan 8.230 nan 0.000 0.431 81 Q N -0.479 119.345 119.800 0.040 0.000 2.050 81 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 81 Q C 2.372 178.398 176.000 0.044 0.000 0.980 81 Q CA 1.079 56.906 55.803 0.040 0.000 0.840 81 Q CB -0.569 28.191 28.738 0.038 0.000 0.898 81 Q HN 0.311 nan 8.270 nan 0.000 0.424 82 L N 0.760 122.014 121.223 0.051 0.000 2.042 82 L HA -0.167 4.174 4.340 0.001 0.000 0.210 82 L C 2.254 179.160 176.870 0.060 0.000 1.076 82 L CA 1.325 56.201 54.840 0.060 0.000 0.749 82 L CB -0.457 41.651 42.059 0.082 0.000 0.893 82 L HN -0.031 nan 8.230 nan 0.000 0.432 83 V N -0.272 119.674 119.914 0.053 0.000 2.323 83 V HA -0.297 3.824 4.120 0.001 0.000 0.244 83 V C 2.572 178.704 176.094 0.064 0.000 1.041 83 V CA 1.777 64.112 62.300 0.060 0.000 1.025 83 V CB -0.699 31.149 31.823 0.041 0.000 0.656 83 V HN 0.729 nan 8.190 nan 0.000 0.451 84 Q N 0.514 120.343 119.800 0.048 0.000 2.124 84 Q HA -0.213 4.127 4.340 0.001 0.000 0.202 84 Q C 2.038 178.065 176.000 0.043 0.000 0.977 84 Q CA 1.925 57.752 55.803 0.041 0.000 0.850 84 Q CB -0.497 28.261 28.738 0.033 0.000 0.901 84 Q HN 0.467 nan 8.270 nan 0.000 0.429 85 K N -0.395 120.034 120.400 0.048 0.000 2.097 85 K HA -0.067 4.254 4.320 0.001 0.000 0.205 85 K C 1.773 178.415 176.600 0.069 0.000 1.050 85 K CA 0.938 57.255 56.287 0.050 0.000 0.938 85 K CB -0.045 32.482 32.500 0.046 0.000 0.718 85 K HN 0.165 nan 8.250 nan 0.000 0.442 86 L N 1.111 122.390 121.223 0.093 0.000 2.056 86 L HA -0.153 4.188 4.340 0.001 0.000 0.207 86 L C 2.370 179.345 176.870 0.175 0.000 1.078 86 L CA 1.707 56.639 54.840 0.155 0.000 0.749 86 L CB -0.886 41.282 42.059 0.181 0.000 0.901 86 L HN 0.182 nan 8.230 nan 0.000 0.433 87 Q N -0.249 119.615 119.800 0.108 0.000 2.119 87 Q HA -0.144 4.196 4.340 0.001 0.000 0.201 87 Q C 2.337 178.330 176.000 -0.011 0.000 0.972 87 Q CA 2.081 57.894 55.803 0.016 0.000 0.847 87 Q CB -0.247 28.497 28.738 0.010 0.000 0.903 87 Q HN 0.589 nan 8.270 nan 0.000 0.433 88 S N -1.749 113.962 115.700 0.018 0.000 2.453 88 S HA 0.134 4.604 4.470 0.001 0.000 0.231 88 S C 1.505 176.115 174.600 0.016 0.000 1.005 88 S CA 0.659 58.865 58.200 0.011 0.000 0.949 88 S CB -0.335 62.876 63.200 0.018 0.000 0.774 88 S HN 0.750 nan 8.310 nan 0.000 0.510 89 G N 1.060 109.883 108.800 0.038 0.000 2.136 89 G HA2 -0.299 3.662 3.960 0.001 0.000 0.242 89 G HA3 -0.299 3.662 3.960 0.001 0.000 0.242 89 G C 0.425 175.354 174.900 0.049 0.000 0.989 89 G CA 0.458 45.587 45.100 0.050 0.000 0.682 89 G HN 0.553 nan 8.290 nan 0.000 0.522 90 E N -0.925 119.302 120.200 0.046 0.000 2.106 90 E HA 0.094 4.445 4.350 0.001 0.000 0.192 90 E C 0.965 177.596 176.600 0.051 0.000 0.984 90 E CA 0.633 57.058 56.400 0.041 0.000 0.806 90 E CB 0.003 29.724 29.700 0.035 0.000 0.750 90 E HN 0.621 nan 8.360 nan 0.000 0.458 91 L N 0.299 121.561 121.223 0.066 0.000 2.354 91 L HA 0.257 4.598 4.340 0.001 0.000 0.269 91 L C -0.091 176.839 176.870 0.100 0.000 1.005 91 L CA -0.929 53.957 54.840 0.076 0.000 0.819 91 L CB 1.959 44.057 42.059 0.065 0.000 1.311 91 L HN -0.080 nan 8.230 nan 0.000 0.423 92 S N 1.115 116.880 115.700 0.110 0.000 2.586 92 S HA 0.388 4.859 4.470 0.001 0.000 0.274 92 S C -1.994 172.667 174.600 0.102 0.000 1.281 92 S CA -1.112 57.164 58.200 0.125 0.000 1.035 92 S CB 1.430 64.715 63.200 0.142 0.000 0.962 92 S HN 0.397 nan 8.310 nan 0.000 0.512 93 P HA -0.111 nan 4.420 nan 0.000 0.216 93 P C 0.871 178.187 177.300 0.027 0.000 1.150 93 P CA 1.343 64.419 63.100 -0.039 0.000 0.843 93 P CB 0.029 31.648 31.700 -0.134 0.000 0.787 94 E N -0.876 119.399 120.200 0.125 0.000 2.208 94 E HA -0.043 4.308 4.350 0.001 0.000 0.193 94 E C 2.080 178.760 176.600 0.133 0.000 0.988 94 E CA 1.125 57.678 56.400 0.256 0.000 0.828 94 E CB -0.879 29.039 29.700 0.365 0.000 0.763 94 E HN 0.157 nan 8.360 nan 0.000 0.478 95 A N 0.618 123.547 122.820 0.181 0.000 1.873 95 A HA -0.133 4.188 4.320 0.001 0.000 0.215 95 A C 2.435 180.025 177.584 0.009 0.000 1.186 95 A CA 1.663 53.812 52.037 0.187 0.000 0.616 95 A CB -0.799 18.328 19.000 0.212 0.000 0.823 95 A HN 0.234 nan 8.150 nan 0.000 0.442 96 V N -3.515 116.403 119.914 0.008 0.000 2.591 96 V HA -0.074 4.046 4.120 0.001 0.000 0.249 96 V C 2.236 178.292 176.094 -0.063 0.000 1.053 96 V CA 1.681 63.961 62.300 -0.033 0.000 1.068 96 V CB -1.153 30.679 31.823 0.015 0.000 0.689 96 V HN 0.425 nan 8.190 nan 0.000 0.462 97 F N 1.155 120.953 119.950 -0.253 0.000 2.060 97 F HA -0.026 4.502 4.527 0.001 0.000 0.295 97 F C 2.053 177.570 175.800 -0.471 0.000 1.120 97 F CA 2.082 59.829 58.000 -0.421 0.000 1.205 97 F CB -0.234 38.444 39.000 -0.536 0.000 0.986 97 F HN 0.123 nan 8.300 nan 0.000 0.470 98 F N 0.233 119.900 119.950 -0.471 0.000 2.502 98 F HA -0.108 4.420 4.527 0.001 0.000 0.298 98 F C 2.315 177.838 175.800 -0.463 0.000 1.111 98 F CA 1.270 58.889 58.000 -0.634 0.000 1.445 98 F CB -0.865 37.514 39.000 -1.034 0.000 1.081 98 F HN -0.057 nan 8.300 nan 0.000 0.558 99 T N -1.147 113.267 114.554 -0.232 0.000 2.668 99 T HA -0.203 4.148 4.350 0.001 0.000 0.262 99 T C 1.602 176.179 174.700 -0.205 0.000 1.045 99 T CA 1.378 63.369 62.100 -0.182 0.000 1.152 99 T CB -0.536 68.198 68.868 -0.223 0.000 0.864 99 T HN 0.117 nan 8.240 nan 0.000 0.419 100 Y N 1.089 121.231 120.300 -0.263 0.000 2.293 100 Y HA 0.138 4.689 4.550 0.001 0.000 0.291 100 Y C 2.234 177.976 175.900 -0.263 0.000 1.137 100 Y CA -0.237 57.694 58.100 -0.281 0.000 1.202 100 Y CB -0.619 37.589 38.460 -0.420 0.000 0.990 100 Y HN 0.114 nan 8.280 nan 0.000 0.537 101 L N -1.033 120.006 121.223 -0.306 0.000 2.079 101 L HA -0.213 4.128 4.340 0.001 0.000 0.210 101 L C 2.311 179.164 176.870 -0.028 0.000 1.081 101 L CA 1.876 56.576 54.840 -0.233 0.000 0.752 101 L CB -0.964 40.666 42.059 -0.715 0.000 0.896 101 L HN 0.365 nan 8.230 nan 0.000 0.433 102 G N -0.700 108.078 108.800 -0.038 0.000 2.403 102 G HA2 -0.281 3.680 3.960 0.001 0.000 0.216 102 G HA3 -0.281 3.680 3.960 0.001 0.000 0.216 102 G C 1.622 176.620 174.900 0.165 0.000 1.154 102 G CA 0.524 45.658 45.100 0.057 0.000 0.784 102 G HN 0.171 nan 8.290 nan 0.000 0.538 103 K N 1.206 121.680 120.400 0.123 0.000 2.097 103 K HA 0.185 4.506 4.320 0.001 0.000 0.205 103 K C 2.659 179.367 176.600 0.179 0.000 1.050 103 K CA 1.294 57.672 56.287 0.151 0.000 0.938 103 K CB -0.652 31.943 32.500 0.158 0.000 0.718 103 K HN 0.159 nan 8.250 nan 0.000 0.442 104 A N -0.657 122.298 122.820 0.225 0.000 1.933 104 A HA -0.168 4.153 4.320 0.001 0.000 0.218 104 A C 2.164 179.829 177.584 0.135 0.000 1.175 104 A CA 1.533 53.685 52.037 0.192 0.000 0.628 104 A CB -1.066 18.111 19.000 0.295 0.000 0.814 104 A HN 0.632 nan 8.150 nan 0.000 0.444 105 W N 0.419 121.720 121.300 0.002 0.000 2.388 105 W HA -0.076 4.585 4.660 0.001 0.000 0.294 105 W C 2.030 178.542 176.519 -0.013 0.000 1.212 105 W CA 1.661 58.992 57.345 -0.023 0.000 1.271 105 W CB 0.047 29.481 29.460 -0.043 0.000 1.126 105 W HN 0.458 nan 8.180 nan 0.000 0.535 106 E N -0.387 119.930 120.200 0.195 0.000 2.072 106 E HA -0.205 4.146 4.350 0.001 0.000 0.190 106 E C 2.175 178.723 176.600 -0.087 0.000 0.982 106 E CA 2.184 58.638 56.400 0.090 0.000 0.803 106 E CB -0.196 29.601 29.700 0.161 0.000 0.755 106 E HN 0.230 nan 8.360 nan 0.000 0.453 107 V N -0.957 118.921 119.914 -0.059 0.000 2.951 107 V HA -0.034 4.087 4.120 0.001 0.000 0.255 107 V C 1.813 177.830 176.094 -0.128 0.000 1.088 107 V CA 1.582 63.834 62.300 -0.079 0.000 1.109 107 V CB -0.618 31.181 31.823 -0.039 0.000 0.724 107 V HN 0.136 nan 8.190 nan 0.000 0.471 108 N N 1.324 119.916 118.700 -0.180 0.000 2.205 108 N HA -0.203 4.538 4.740 0.001 0.000 0.186 108 N C 1.754 177.113 175.510 -0.252 0.000 1.015 108 N CA 1.604 54.526 53.050 -0.214 0.000 0.862 108 N CB -0.394 37.940 38.487 -0.256 0.000 0.986 108 N HN 0.542 nan 8.380 nan 0.000 0.429 109 K N -1.439 118.754 120.400 -0.345 0.000 2.442 109 K HA 0.057 4.378 4.320 0.001 0.000 0.198 109 K C 1.476 177.976 176.600 -0.167 0.000 1.042 109 K CA 0.960 57.069 56.287 -0.297 0.000 0.958 109 K CB -0.012 32.253 32.500 -0.391 0.000 0.766 109 K HN 0.315 nan 8.250 nan 0.000 0.474 110 G N -1.135 107.586 108.800 -0.133 0.000 2.784 110 G HA2 -0.100 3.861 3.960 0.001 0.000 0.208 110 G HA3 -0.100 3.861 3.960 0.001 0.000 0.208 110 G C 1.281 176.144 174.900 -0.061 0.000 1.120 110 G CA 0.621 45.672 45.100 -0.083 0.000 0.774 110 G HN 0.392 nan 8.290 nan 0.000 0.528 111 T N -2.893 111.620 114.554 -0.068 0.000 2.969 111 T HA 0.129 4.480 4.350 0.001 0.000 0.250 111 T C 0.900 175.576 174.700 -0.041 0.000 1.021 111 T CA 0.632 62.708 62.100 -0.040 0.000 1.003 111 T CB -0.076 68.775 68.868 -0.028 0.000 1.040 111 T HN 0.146 nan 8.240 nan 0.000 0.492 112 N N 0.600 119.260 118.700 -0.066 0.000 2.671 112 N HA -0.178 4.563 4.740 0.001 0.000 0.261 112 N C 0.537 176.017 175.510 -0.050 0.000 1.053 112 N CA 0.715 53.731 53.050 -0.057 0.000 0.732 112 N CB -1.657 36.813 38.487 -0.028 0.000 0.887 112 N HN 0.799 nan 8.380 nan 0.000 0.546 113 C N -2.662 116.594 119.300 -0.073 0.000 3.228 113 C HA 0.522 4.983 4.460 0.001 0.000 0.290 113 C C 0.727 175.645 174.990 -0.121 0.000 1.301 113 C CA -0.553 58.418 59.018 -0.079 0.000 1.703 113 C CB -0.756 26.949 27.740 -0.059 0.000 2.141 113 C HN 0.238 nan 8.230 nan 0.000 0.656 114 V N 2.848 122.686 119.914 -0.128 0.000 2.348 114 V HA 0.240 4.361 4.120 0.001 0.000 0.270 114 V C 1.269 177.249 176.094 -0.191 0.000 1.037 114 V CA 0.655 62.866 62.300 -0.148 0.000 0.872 114 V CB 0.863 32.622 31.823 -0.108 0.000 1.002 114 V HN 0.503 nan 8.190 nan 0.000 0.464 115 T N 3.051 117.422 114.554 -0.305 0.000 2.698 115 T HA -0.023 4.328 4.350 0.001 0.000 0.260 115 T C 0.739 175.306 174.700 -0.222 0.000 1.044 115 T CA 1.608 63.370 62.100 -0.564 0.000 1.149 115 T CB 0.094 68.537 68.868 -0.708 0.000 0.864 115 T HN 0.803 nan 8.240 nan 0.000 0.419 116 S N -0.379 115.261 115.700 -0.100 0.000 2.543 116 S HA 0.413 4.884 4.470 0.001 0.000 0.273 116 S C -1.190 173.376 174.600 -0.056 0.000 1.152 116 S CA -1.081 57.124 58.200 0.008 0.000 0.910 116 S CB 0.576 63.835 63.200 0.100 0.000 1.105 116 S HN 0.385 nan 8.310 nan 0.000 0.465 117 Y N 4.072 124.311 120.300 -0.103 0.000 2.442 117 Y HA 0.485 5.036 4.550 0.002 0.000 0.330 117 Y C -0.185 175.580 175.900 -0.224 0.000 1.129 117 Y CA -0.375 57.640 58.100 -0.141 0.000 1.365 117 Y CB 0.518 38.964 38.460 -0.023 0.000 1.233 117 Y HN 0.727 nan 8.280 nan 0.000 0.529 118 L N 8.162 128.846 121.223 -0.900 0.000 2.423 118 L HA 0.047 4.388 4.340 0.001 0.000 0.249 118 L C 1.559 177.891 176.870 -0.897 0.000 1.276 118 L CA 0.071 54.242 54.840 -1.115 0.000 1.199 118 L CB -0.475 40.770 42.059 -1.357 0.000 1.407 118 L HN 1.008 nan 8.230 nan 0.000 0.410 119 T N -1.303 112.902 114.554 -0.582 0.000 2.616 119 T HA -0.344 4.007 4.350 0.001 0.000 0.261 119 T C 1.037 175.604 174.700 -0.221 0.000 1.105 119 T CA 2.172 64.058 62.100 -0.356 0.000 1.159 119 T CB -0.686 68.173 68.868 -0.016 0.000 0.856 119 T HN 0.714 nan 8.240 nan 0.000 0.449 120 D N 2.262 122.603 120.400 -0.097 0.000 2.395 120 D HA 0.191 4.832 4.640 0.001 0.000 0.250 120 D C 1.070 177.356 176.300 -0.024 0.000 1.203 120 D CA -0.085 53.914 54.000 -0.003 0.000 0.872 120 D CB -1.290 39.559 40.800 0.080 0.000 0.941 120 D HN 0.882 nan 8.370 nan 0.000 0.504 121 C N -1.456 117.776 119.300 -0.113 0.000 2.560 121 C HA 0.437 4.898 4.460 0.001 0.000 0.334 121 C C 1.482 176.369 174.990 -0.172 0.000 1.404 121 C CA -0.508 58.402 59.018 -0.180 0.000 2.410 121 C CB 0.459 28.058 27.740 -0.235 0.000 2.268 121 C HN 0.573 nan 8.230 nan 0.000 0.673 122 E N -1.669 118.324 120.200 -0.345 0.000 4.976 122 E HA -0.297 4.054 4.350 0.001 0.000 0.222 122 E C 1.365 177.912 176.600 -0.088 0.000 0.944 122 E CA 2.031 58.321 56.400 -0.183 0.000 1.778 122 E CB -2.035 27.690 29.700 0.041 0.000 1.790 122 E HN 0.986 nan 8.360 nan 0.000 0.404 123 T N -1.399 113.116 114.554 -0.066 0.000 2.985 123 T HA -0.084 4.267 4.350 0.001 0.000 0.266 123 T C 1.703 176.359 174.700 -0.073 0.000 1.076 123 T CA 1.409 63.481 62.100 -0.045 0.000 1.135 123 T CB 0.009 68.867 68.868 -0.015 0.000 0.890 123 T HN 0.112 nan 8.240 nan 0.000 0.480 124 Q N 0.657 120.386 119.800 -0.119 0.000 2.331 124 Q HA 0.296 4.637 4.340 0.001 0.000 0.203 124 Q C 1.973 177.852 176.000 -0.201 0.000 0.944 124 Q CA 0.690 56.412 55.803 -0.135 0.000 0.892 124 Q CB -0.618 28.051 28.738 -0.116 0.000 0.983 124 Q HN 0.548 nan 8.270 nan 0.000 0.482 125 L N -0.693 120.360 121.223 -0.282 0.000 2.056 125 L HA -0.115 4.226 4.340 0.001 0.000 0.207 125 L C 2.336 179.130 176.870 -0.127 0.000 1.078 125 L CA 1.212 55.888 54.840 -0.274 0.000 0.749 125 L CB -0.497 41.359 42.059 -0.339 0.000 0.901 125 L HN 0.188 nan 8.230 nan 0.000 0.433 126 S N -0.614 115.038 115.700 -0.080 0.000 2.356 126 S HA -0.200 4.271 4.470 0.001 0.000 0.223 126 S C 1.507 176.107 174.600 0.000 0.000 1.032 126 S CA 1.729 59.916 58.200 -0.021 0.000 1.005 126 S CB -0.151 63.041 63.200 -0.012 0.000 0.867 126 S HN 0.559 nan 8.310 nan 0.000 0.449 127 Q N -0.281 119.511 119.800 -0.014 0.000 2.647 127 Q HA 0.758 5.099 4.340 0.001 0.000 0.400 127 Q C -0.277 175.725 176.000 0.004 0.000 0.959 127 Q CA 0.054 55.860 55.803 0.005 0.000 1.079 127 Q CB 0.259 28.995 28.738 -0.004 0.000 1.351 127 Q HN 0.564 nan 8.270 nan 0.000 0.411 128 A N 2.013 124.846 122.820 0.020 0.000 2.354 128 A HA 0.678 4.998 4.320 0.001 0.000 0.281 128 A C -2.428 175.299 177.584 0.238 0.000 1.174 128 A CA -1.378 50.691 52.037 0.052 0.000 0.828 128 A CB 0.253 19.176 19.000 -0.130 0.000 1.099 128 A HN 0.439 nan 8.150 nan 0.000 0.516 129 P HA 0.172 nan 4.420 nan 0.000 0.271 129 P C 0.714 178.097 177.300 0.138 0.000 1.220 129 P CA -0.370 62.806 63.100 0.127 0.000 0.768 129 P CB 0.689 32.430 31.700 0.067 0.000 0.848 130 R N 3.092 123.559 120.500 -0.055 0.000 2.119 130 R HA -0.083 4.258 4.340 0.001 0.000 0.222 130 R C 1.944 178.008 176.300 -0.393 0.000 1.088 130 R CA 1.631 57.479 56.100 -0.420 0.000 0.984 130 R CB -0.376 29.736 30.300 -0.313 0.000 0.884 130 R HN 0.596 nan 8.270 nan 0.000 0.447 131 Q N 0.030 119.739 119.800 -0.152 0.000 2.319 131 Q HA 0.219 4.560 4.340 0.001 0.000 0.202 131 Q C 0.693 176.680 176.000 -0.022 0.000 0.896 131 Q CA 0.454 56.201 55.803 -0.092 0.000 0.942 131 Q CB 0.276 28.980 28.738 -0.057 0.000 1.083 131 Q HN 0.417 nan 8.270 nan 0.000 0.510 132 G N 0.236 109.052 108.800 0.027 0.000 2.441 132 G HA2 0.352 4.313 3.960 0.001 0.000 0.243 132 G HA3 0.352 4.313 3.960 0.001 0.000 0.243 132 G C 0.695 175.638 174.900 0.072 0.000 1.281 132 G CA -0.506 44.635 45.100 0.067 0.000 0.854 132 G HN 0.259 nan 8.290 nan 0.000 0.560 133 L N 1.473 122.718 121.223 0.037 0.000 2.362 133 L HA 0.106 4.446 4.340 0.001 0.000 0.219 133 L C 1.659 178.540 176.870 0.018 0.000 1.134 133 L CA 1.185 56.034 54.840 0.016 0.000 0.807 133 L CB -0.795 41.254 42.059 -0.018 0.000 0.927 133 L HN 0.457 nan 8.230 nan 0.000 0.447 134 L N -2.086 119.154 121.223 0.028 0.000 2.999 134 L HA 0.099 4.440 4.340 0.001 0.000 0.263 134 L C 1.251 178.146 176.870 0.043 0.000 1.320 134 L CA -0.329 54.520 54.840 0.016 0.000 0.913 134 L CB 0.026 42.068 42.059 -0.029 0.000 1.296 134 L HN 0.012 nan 8.230 nan 0.000 0.546 135 Y N 1.585 121.870 120.300 -0.026 0.000 2.036 135 Y HA -0.228 4.323 4.550 0.001 0.000 0.273 135 Y C 2.096 177.980 175.900 -0.026 0.000 1.135 135 Y CA 2.112 60.198 58.100 -0.024 0.000 1.106 135 Y CB 0.117 38.568 38.460 -0.015 0.000 0.976 135 Y HN 0.351 nan 8.280 nan 0.000 0.483 136 G N -0.144 108.464 108.800 -0.319 0.000 2.813 136 G HA2 0.062 4.022 3.960 0.001 0.000 0.209 136 G HA3 0.062 4.022 3.960 0.001 0.000 0.209 136 G C -0.112 174.657 174.900 -0.218 0.000 1.150 136 G CA 0.257 45.107 45.100 -0.417 0.000 0.785 136 G HN 0.190 nan 8.290 nan 0.000 0.535 137 V N 3.350 123.179 119.914 -0.141 0.000 2.479 137 V HA 0.174 4.295 4.120 0.001 0.000 0.281 137 V C -1.777 174.246 176.094 -0.118 0.000 1.031 137 V CA -1.556 60.684 62.300 -0.100 0.000 1.038 137 V CB 1.151 32.932 31.823 -0.069 0.000 0.981 137 V HN 0.112 nan 8.190 nan 0.000 0.478 138 P HA 0.205 nan 4.420 nan 0.000 0.276 138 P C -0.691 176.567 177.300 -0.070 0.000 1.243 138 P CA 0.010 62.947 63.100 -0.272 0.000 0.768 138 P CB 1.026 32.195 31.700 -0.885 0.000 0.856 139 V N 1.148 121.188 119.914 0.211 0.000 2.409 139 V HA 0.491 4.612 4.120 0.001 0.000 0.291 139 V C 0.391 176.630 176.094 0.242 0.000 1.020 139 V CA -0.978 61.432 62.300 0.184 0.000 0.848 139 V CB 0.916 32.749 31.823 0.017 0.000 0.990 139 V HN 0.569 nan 8.190 nan 0.000 0.430 140 S N 5.588 121.361 115.700 0.122 0.000 2.564 140 S HA 0.712 5.183 4.470 0.001 0.000 0.278 140 S C -0.428 174.118 174.600 -0.090 0.000 1.333 140 S CA -0.581 57.533 58.200 -0.144 0.000 1.048 140 S CB 0.777 63.877 63.200 -0.166 0.000 0.900 140 S HN 0.714 nan 8.310 nan 0.000 0.505 141 L N 1.891 123.073 121.223 -0.068 0.000 2.381 141 L HA 0.487 4.828 4.340 0.001 0.000 0.274 141 L C 0.274 177.275 176.870 0.219 0.000 0.988 141 L CA -0.778 54.100 54.840 0.063 0.000 0.824 141 L CB 1.845 43.980 42.059 0.127 0.000 1.263 141 L HN 0.702 nan 8.230 nan 0.000 0.410 142 K N 2.106 122.709 120.400 0.339 0.000 2.448 142 K HA -0.060 4.261 4.320 0.001 0.000 0.278 142 K C 1.094 177.774 176.600 0.134 0.000 1.009 142 K CA 0.198 56.633 56.287 0.247 0.000 0.995 142 K CB 0.971 33.651 32.500 0.301 0.000 0.917 142 K HN 0.728 nan 8.250 nan 0.000 0.481 143 E N 2.906 123.011 120.200 -0.157 0.000 2.267 143 E HA -0.224 4.126 4.350 0.001 0.000 0.197 143 E C 1.502 177.831 176.600 -0.452 0.000 0.998 143 E CA 1.637 57.684 56.400 -0.587 0.000 0.830 143 E CB -0.219 29.197 29.700 -0.473 0.000 0.751 143 E HN 0.773 nan 8.360 nan 0.000 0.491 144 C N -0.106 119.052 119.300 -0.236 0.000 2.449 144 C HA 0.151 4.612 4.460 0.001 0.000 0.283 144 C C 0.841 175.715 174.990 -0.192 0.000 1.453 144 C CA -0.867 58.022 59.018 -0.214 0.000 1.779 144 C CB -1.800 25.782 27.740 -0.264 0.000 1.779 144 C HN 0.181 nan 8.230 nan 0.000 0.546 145 F N 3.385 123.349 119.950 0.023 0.000 2.472 145 F HA 0.310 4.838 4.527 0.001 0.000 0.364 145 F C 1.236 177.165 175.800 0.216 0.000 1.090 145 F CA 0.092 58.160 58.000 0.113 0.000 1.188 145 F CB 0.589 39.666 39.000 0.128 0.000 1.105 145 F HN 0.235 nan 8.300 nan 0.000 0.536 146 S N 4.277 120.169 115.700 0.320 0.000 2.523 146 S HA 0.344 4.815 4.470 0.001 0.000 0.275 146 S C -1.070 173.692 174.600 0.271 0.000 1.281 146 S CA -0.533 57.834 58.200 0.278 0.000 1.050 146 S CB 0.530 63.833 63.200 0.172 0.000 0.937 146 S HN 0.576 nan 8.310 nan 0.000 0.492 147 Y N 1.358 121.768 120.300 0.183 0.000 2.364 147 Y HA 0.498 5.049 4.550 0.001 0.000 0.340 147 Y C 0.529 176.508 175.900 0.131 0.000 0.975 147 Y CA -0.575 57.575 58.100 0.083 0.000 1.089 147 Y CB 1.094 39.495 38.460 -0.098 0.000 1.192 147 Y HN 0.963 nan 8.280 nan 0.000 0.454 148 K N 2.910 123.382 120.400 0.119 0.000 2.466 148 K HA 0.374 4.695 4.320 0.001 0.000 0.278 148 K C 0.940 177.704 176.600 0.273 0.000 1.048 148 K CA 0.531 56.905 56.287 0.144 0.000 1.088 148 K CB -0.978 31.535 32.500 0.021 0.000 0.884 148 K HN 1.630 nan 8.250 nan 0.000 0.478 149 G N 1.870 110.760 108.800 0.151 0.000 2.160 149 G HA2 -0.167 3.794 3.960 0.001 0.000 0.244 149 G HA3 -0.167 3.794 3.960 0.001 0.000 0.244 149 G C -0.079 174.744 174.900 -0.128 0.000 1.022 149 G CA 0.356 45.472 45.100 0.027 0.000 0.741 149 G HN 1.096 nan 8.290 nan 0.000 0.508 150 H N -0.285 118.866 119.070 0.135 0.000 2.894 150 H HA 0.272 4.829 4.556 0.001 0.000 0.367 150 H C -1.014 174.417 175.328 0.172 0.000 1.144 150 H CA -0.877 55.252 56.048 0.135 0.000 1.180 150 H CB 1.775 31.601 29.762 0.106 0.000 1.758 150 H HN 0.132 nan 8.280 nan 0.000 0.541 151 D N 1.397 121.964 120.400 0.279 0.000 2.401 151 D HA 0.010 4.651 4.640 0.001 0.000 0.254 151 D C -0.035 176.397 176.300 0.220 0.000 1.192 151 D CA 0.478 54.608 54.000 0.215 0.000 0.885 151 D CB 0.731 41.650 40.800 0.198 0.000 1.147 151 D HN 0.260 nan 8.370 nan 0.000 0.478 152 S N 1.522 117.312 115.700 0.150 0.000 3.700 152 S HA 0.087 4.558 4.470 0.001 0.000 0.192 152 S C 0.585 175.212 174.600 0.046 0.000 1.430 152 S CA -0.690 57.541 58.200 0.051 0.000 0.999 152 S CB -0.079 63.151 63.200 0.051 0.000 1.411 152 S HN 0.536 nan 8.310 nan 0.000 0.491 153 T N 0.364 114.966 114.554 0.080 0.000 2.906 153 T HA 0.122 4.472 4.350 0.001 0.000 0.320 153 T C 0.525 175.248 174.700 0.039 0.000 1.088 153 T CA -0.320 61.828 62.100 0.080 0.000 1.120 153 T CB 0.268 69.244 68.868 0.181 0.000 1.000 153 T HN 0.131 nan 8.240 nan 0.000 0.550 154 L N 2.968 124.194 121.223 0.005 0.000 2.848 154 L HA 0.422 4.763 4.340 0.001 0.000 0.240 154 L C 1.828 178.709 176.870 0.017 0.000 1.232 154 L CA 0.674 55.508 54.840 -0.012 0.000 1.031 154 L CB -0.512 41.520 42.059 -0.045 0.000 1.338 154 L HN 1.262 nan 8.230 nan 0.000 0.509 155 G N 0.103 108.953 108.800 0.084 0.000 2.182 155 G HA2 -0.231 3.730 3.960 0.001 0.000 0.248 155 G HA3 -0.231 3.730 3.960 0.001 0.000 0.248 155 G C -0.279 174.605 174.900 -0.028 0.000 1.042 155 G CA -0.043 45.108 45.100 0.085 0.000 0.775 155 G HN 0.146 nan 8.290 nan 0.000 0.501 156 L N 0.536 121.721 121.223 -0.063 0.000 2.406 156 L HA 0.613 4.954 4.340 0.001 0.000 0.272 156 L C 1.417 178.226 176.870 -0.102 0.000 0.980 156 L CA 0.187 54.935 54.840 -0.152 0.000 0.831 156 L CB 1.480 43.404 42.059 -0.225 0.000 1.253 156 L HN 0.073 nan 8.230 nan 0.000 0.406 157 S N 2.950 118.588 115.700 -0.104 0.000 2.382 157 S HA -0.173 4.298 4.470 0.001 0.000 0.228 157 S C 1.722 176.281 174.600 -0.068 0.000 1.027 157 S CA 1.283 59.440 58.200 -0.071 0.000 0.991 157 S CB -0.265 62.901 63.200 -0.057 0.000 0.823 157 S HN 0.641 nan 8.310 nan 0.000 0.469 158 L N 3.028 124.195 121.223 -0.094 0.000 2.051 158 L HA -0.219 4.122 4.340 0.001 0.000 0.214 158 L C 0.722 177.567 176.870 -0.042 0.000 1.076 158 L CA 1.968 56.763 54.840 -0.074 0.000 0.758 158 L CB -0.810 41.189 42.059 -0.100 0.000 0.890 158 L HN 0.410 nan 8.230 nan 0.000 0.433 159 N N -1.205 117.474 118.700 -0.036 0.000 2.320 159 N HA 0.053 4.794 4.740 0.001 0.000 0.237 159 N C 1.107 176.625 175.510 0.013 0.000 1.129 159 N CA 0.446 53.495 53.050 -0.003 0.000 0.854 159 N CB 0.176 38.672 38.487 0.015 0.000 1.083 159 N HN 0.436 nan 8.380 nan 0.000 0.504 160 E N 1.198 121.397 120.200 -0.001 0.000 2.204 160 E HA -0.060 4.291 4.350 0.001 0.000 0.194 160 E C 1.775 178.387 176.600 0.020 0.000 0.989 160 E CA 1.337 57.743 56.400 0.010 0.000 0.824 160 E CB -0.509 29.178 29.700 -0.022 0.000 0.756 160 E HN 0.359 nan 8.360 nan 0.000 0.477 161 G N 1.436 110.243 108.800 0.012 0.000 2.575 161 G HA2 -0.138 3.823 3.960 0.001 0.000 0.215 161 G HA3 -0.138 3.823 3.960 0.001 0.000 0.215 161 G C 0.850 175.765 174.900 0.026 0.000 1.262 161 G CA 1.447 46.556 45.100 0.014 0.000 0.807 161 G HN 0.367 nan 8.290 nan 0.000 0.567 162 M N 2.126 121.744 119.600 0.030 0.000 2.120 162 M HA 0.431 4.912 4.480 0.001 0.000 0.354 162 M C -2.746 173.586 176.300 0.054 0.000 1.287 162 M CA -3.284 52.037 55.300 0.034 0.000 1.103 162 M CB 0.822 33.440 32.600 0.029 0.000 1.623 162 M HN -0.035 nan 8.290 nan 0.000 0.471 163 P HA 0.182 nan 4.420 nan 0.000 0.273 163 P C -0.743 176.607 177.300 0.084 0.000 1.250 163 P CA -0.276 62.869 63.100 0.076 0.000 0.793 163 P CB 0.218 31.941 31.700 0.039 0.000 1.011 164 S N -1.429 114.342 115.700 0.119 0.000 2.523 164 S HA 0.331 4.802 4.470 0.001 0.000 0.275 164 S C 1.499 176.144 174.600 0.076 0.000 1.281 164 S CA -0.188 58.075 58.200 0.104 0.000 1.050 164 S CB 0.516 63.799 63.200 0.138 0.000 0.937 164 S HN 0.608 nan 8.310 nan 0.000 0.492 165 E N 1.457 121.687 120.200 0.049 0.000 2.265 165 E HA 0.044 4.395 4.350 0.001 0.000 0.196 165 E C 0.842 177.455 176.600 0.022 0.000 0.996 165 E CA 1.203 57.621 56.400 0.031 0.000 0.832 165 E CB -0.086 29.626 29.700 0.020 0.000 0.756 165 E HN 0.649 nan 8.360 nan 0.000 0.491 166 S N -0.844 114.871 115.700 0.025 0.000 2.570 166 S HA 0.431 4.901 4.470 0.001 0.000 0.270 166 S C -1.889 172.702 174.600 -0.014 0.000 1.149 166 S CA -0.787 57.411 58.200 -0.003 0.000 0.837 166 S CB 1.540 64.735 63.200 -0.008 0.000 1.124 166 S HN 0.246 nan 8.310 nan 0.000 0.465 167 D N 1.964 122.307 120.400 -0.096 0.000 2.472 167 D HA 0.196 4.837 4.640 0.001 0.000 0.237 167 D C 0.765 177.035 176.300 -0.050 0.000 1.141 167 D CA 0.091 53.998 54.000 -0.156 0.000 0.875 167 D CB 0.186 40.807 40.800 -0.298 0.000 1.192 167 D HN 0.703 nan 8.370 nan 0.000 0.450 168 C N 0.651 119.959 119.300 0.013 0.000 2.639 168 C HA 0.241 4.701 4.460 0.001 0.000 0.360 168 C C 2.111 177.123 174.990 0.036 0.000 1.351 168 C CA -0.890 58.169 59.018 0.069 0.000 2.408 168 C CB 0.063 27.907 27.740 0.172 0.000 2.517 168 C HN 0.484 nan 8.230 nan 0.000 0.696 169 V N 2.307 122.255 119.914 0.057 0.000 2.255 169 V HA -0.201 3.920 4.120 0.001 0.000 0.247 169 V C 2.644 178.746 176.094 0.013 0.000 1.051 169 V CA 2.670 64.989 62.300 0.032 0.000 1.018 169 V CB -1.004 30.850 31.823 0.051 0.000 0.641 169 V HN 0.985 nan 8.190 nan 0.000 0.445 170 V N -1.932 118.009 119.914 0.046 0.000 2.490 170 V HA -0.168 3.953 4.120 0.001 0.000 0.250 170 V C 2.243 178.290 176.094 -0.078 0.000 1.061 170 V CA 1.797 64.090 62.300 -0.012 0.000 1.064 170 V CB -1.028 30.795 31.823 0.000 0.000 0.670 170 V HN 0.313 nan 8.190 nan 0.000 0.461 171 V N 0.329 120.203 119.914 -0.066 0.000 2.343 171 V HA -0.282 3.839 4.120 0.001 0.000 0.247 171 V C 2.855 178.871 176.094 -0.129 0.000 1.051 171 V CA 2.439 64.675 62.300 -0.106 0.000 1.036 171 V CB -0.804 30.968 31.823 -0.084 0.000 0.654 171 V HN 0.572 nan 8.190 nan 0.000 0.451 172 Q N -0.360 119.368 119.800 -0.119 0.000 2.045 172 Q HA -0.229 4.112 4.340 0.001 0.000 0.206 172 Q C 2.419 178.334 176.000 -0.142 0.000 0.991 172 Q CA 2.377 58.100 55.803 -0.133 0.000 0.851 172 Q CB -0.521 28.154 28.738 -0.105 0.000 0.911 172 Q HN 0.672 nan 8.270 nan 0.000 0.418 173 V N -0.751 119.094 119.914 -0.115 0.000 2.809 173 V HA -0.138 3.983 4.120 0.001 0.000 0.256 173 V C 1.864 177.895 176.094 -0.105 0.000 1.080 173 V CA 1.030 63.260 62.300 -0.118 0.000 1.102 173 V CB -0.421 31.359 31.823 -0.072 0.000 0.705 173 V HN 0.290 nan 8.190 nan 0.000 0.475 174 L N 0.045 121.207 121.223 -0.102 0.000 1.989 174 L HA -0.174 4.167 4.340 0.001 0.000 0.211 174 L C 2.900 179.719 176.870 -0.084 0.000 1.071 174 L CA 2.491 57.276 54.840 -0.091 0.000 0.749 174 L CB -0.662 41.339 42.059 -0.097 0.000 0.890 174 L HN 0.281 nan 8.230 nan 0.000 0.431 175 K N 0.094 120.434 120.400 -0.100 0.000 2.063 175 K HA -0.163 4.157 4.320 0.001 0.000 0.208 175 K C 2.003 178.543 176.600 -0.101 0.000 1.048 175 K CA 1.227 57.456 56.287 -0.098 0.000 0.928 175 K CB -0.263 32.167 32.500 -0.116 0.000 0.713 175 K HN 0.266 nan 8.250 nan 0.000 0.442 176 L N 0.464 121.594 121.223 -0.154 0.000 2.376 176 L HA -0.128 4.213 4.340 0.001 0.000 0.219 176 L C 1.713 178.538 176.870 -0.075 0.000 1.133 176 L CA 0.698 55.415 54.840 -0.206 0.000 0.816 176 L CB -0.044 41.692 42.059 -0.539 0.000 0.933 176 L HN 0.160 nan 8.230 nan 0.000 0.449 177 Q N -0.587 119.190 119.800 -0.039 0.000 2.201 177 Q HA 0.198 4.539 4.340 0.001 0.000 0.217 177 Q C 1.058 177.073 176.000 0.025 0.000 0.860 177 Q CA 0.581 56.391 55.803 0.012 0.000 0.984 177 Q CB 0.632 29.368 28.738 -0.003 0.000 1.095 177 Q HN 0.360 nan 8.270 nan 0.000 0.477 178 G N -1.008 107.804 108.800 0.020 0.000 2.279 178 G HA2 -0.264 3.697 3.960 0.001 0.000 0.223 178 G HA3 -0.264 3.697 3.960 0.001 0.000 0.223 178 G C 0.380 175.243 174.900 -0.063 0.000 1.015 178 G CA -0.201 44.926 45.100 0.046 0.000 0.621 178 G HN 0.622 nan 8.290 nan 0.000 0.506 179 A N -0.100 122.682 122.820 -0.063 0.000 2.406 179 A HA 0.609 4.930 4.320 0.001 0.000 0.243 179 A C 0.431 177.967 177.584 -0.081 0.000 1.082 179 A CA 0.824 52.813 52.037 -0.080 0.000 0.786 179 A CB 0.814 19.777 19.000 -0.060 0.000 1.029 179 A HN 1.222 nan 8.150 nan 0.000 0.495 180 V N 3.078 122.954 119.914 -0.063 0.000 2.266 180 V HA 0.260 4.381 4.120 0.001 0.000 0.271 180 V C -2.533 173.627 176.094 0.111 0.000 1.032 180 V CA -1.384 60.895 62.300 -0.034 0.000 0.806 180 V CB 0.948 32.692 31.823 -0.132 0.000 1.052 180 V HN 0.705 nan 8.190 nan 0.000 0.449 181 P HA 0.104 nan 4.420 nan 0.000 0.264 181 P C 0.162 177.535 177.300 0.123 0.000 1.236 181 P CA 0.107 63.301 63.100 0.156 0.000 0.811 181 P CB 0.079 31.900 31.700 0.202 0.000 0.840 182 F N 4.254 124.163 119.950 -0.068 0.000 2.727 182 F HA 0.324 4.852 4.527 0.001 0.000 0.302 182 F C -0.095 175.654 175.800 -0.085 0.000 1.107 182 F CA -0.344 57.640 58.000 -0.027 0.000 1.277 182 F CB -0.054 39.026 39.000 0.133 0.000 1.079 182 F HN 0.079 nan 8.300 nan 0.000 0.594 183 V N -1.758 117.725 119.914 -0.719 0.000 3.130 183 V HA 0.532 4.653 4.120 0.001 0.000 0.310 183 V C -1.242 174.622 176.094 -0.383 0.000 1.158 183 V CA -1.068 60.899 62.300 -0.555 0.000 1.029 183 V CB 1.440 32.893 31.823 -0.616 0.000 1.057 183 V HN 0.251 nan 8.190 nan 0.000 0.436 184 H N 0.863 119.739 119.070 -0.323 0.000 2.473 184 H HA 0.692 5.249 4.556 0.001 0.000 0.327 184 H C -0.124 175.060 175.328 -0.241 0.000 1.105 184 H CA -0.024 55.881 56.048 -0.238 0.000 1.280 184 H CB 1.762 31.394 29.762 -0.216 0.000 1.450 184 H HN 1.021 nan 8.280 nan 0.000 0.492 185 T N 0.915 115.437 114.554 -0.054 0.000 2.823 185 T HA 0.128 4.478 4.350 0.001 0.000 0.279 185 T C 0.213 174.824 174.700 -0.148 0.000 0.998 185 T CA -1.209 60.821 62.100 -0.117 0.000 0.994 185 T CB 1.355 70.176 68.868 -0.078 0.000 0.960 185 T HN 0.455 nan 8.240 nan 0.000 0.448 186 N N 1.660 120.258 118.700 -0.169 0.000 2.412 186 N HA 0.229 4.970 4.740 0.001 0.000 0.258 186 N C -0.116 175.354 175.510 -0.066 0.000 1.236 186 N CA -0.153 52.803 53.050 -0.157 0.000 0.882 186 N CB 0.380 38.796 38.487 -0.118 0.000 1.066 186 N HN 0.767 nan 8.380 nan 0.000 0.465 187 V N 1.789 121.677 119.914 -0.042 0.000 3.019 187 V HA 0.810 4.931 4.120 0.001 0.000 0.317 187 V C -2.439 173.676 176.094 0.036 0.000 1.094 187 V CA -2.113 60.185 62.300 -0.003 0.000 1.000 187 V CB 1.890 33.702 31.823 -0.019 0.000 1.060 187 V HN 0.606 nan 8.190 nan 0.000 0.443 188 P HA 0.171 nan 4.420 nan 0.000 0.276 188 P C 0.385 177.740 177.300 0.091 0.000 1.252 188 P CA -0.134 63.006 63.100 0.067 0.000 0.802 188 P CB 1.100 32.834 31.700 0.057 0.000 1.035 189 Q N 0.796 120.666 119.800 0.117 0.000 2.096 189 Q HA -0.151 4.190 4.340 0.001 0.000 0.204 189 Q C 1.383 177.433 176.000 0.083 0.000 0.982 189 Q CA 2.072 57.941 55.803 0.109 0.000 0.850 189 Q CB -0.305 28.526 28.738 0.156 0.000 0.901 189 Q HN 0.329 nan 8.270 nan 0.000 0.422 190 S N -1.440 114.385 115.700 0.208 0.000 2.593 190 S HA 0.298 4.769 4.470 0.001 0.000 0.236 190 S C 0.437 175.159 174.600 0.204 0.000 0.991 190 S CA 0.096 58.420 58.200 0.207 0.000 0.963 190 S CB 0.096 63.563 63.200 0.445 0.000 0.865 190 S HN 0.534 nan 8.310 nan 0.000 0.488 191 M N -0.594 119.089 119.600 0.138 0.000 2.871 191 M HA -0.239 4.242 4.480 0.001 0.000 0.174 191 M C -0.173 176.204 176.300 0.128 0.000 0.655 191 M CA 0.721 56.081 55.300 0.100 0.000 0.654 191 M CB -0.950 31.673 32.600 0.038 0.000 2.369 191 M HN 0.300 nan 8.290 nan 0.000 0.306 192 L N 1.112 122.462 121.223 0.211 0.000 2.657 192 L HA 0.533 4.874 4.340 0.001 0.000 0.239 192 L C 0.031 176.992 176.870 0.151 0.000 1.215 192 L CA 0.455 55.389 54.840 0.156 0.000 1.161 192 L CB 0.886 43.017 42.059 0.120 0.000 1.436 192 L HN 0.182 nan 8.230 nan 0.000 0.414 193 S N 1.005 116.777 115.700 0.120 0.000 2.542 193 S HA 0.298 4.768 4.470 0.001 0.000 0.276 193 S C -0.008 174.642 174.600 0.083 0.000 1.148 193 S CA -0.631 57.617 58.200 0.080 0.000 0.886 193 S CB 0.539 63.767 63.200 0.047 0.000 1.109 193 S HN 0.373 nan 8.310 nan 0.000 0.458 194 F N 1.678 121.525 119.950 -0.172 0.000 2.693 194 F HA 0.524 5.052 4.527 0.001 0.000 0.303 194 F C 0.442 176.081 175.800 -0.269 0.000 1.097 194 F CA -0.508 57.290 58.000 -0.336 0.000 1.330 194 F CB 0.027 38.521 39.000 -0.843 0.000 1.067 194 F HN 0.479 nan 8.300 nan 0.000 0.565 195 D N 0.622 120.797 120.400 -0.376 0.000 2.451 195 D HA 0.229 4.869 4.640 0.001 0.000 0.259 195 D C -0.807 175.445 176.300 -0.079 0.000 1.201 195 D CA -0.446 53.416 54.000 -0.230 0.000 1.028 195 D CB 1.884 42.554 40.800 -0.217 0.000 1.095 195 D HN 0.224 nan 8.370 nan 0.000 0.539 196 C N 0.944 120.224 119.300 -0.035 0.000 2.432 196 C HA 0.720 5.180 4.460 0.001 0.000 0.334 196 C C -1.117 173.881 174.990 0.013 0.000 1.155 196 C CA -0.151 58.868 59.018 0.002 0.000 1.335 196 C CB -0.440 27.308 27.740 0.014 0.000 1.964 196 C HN 0.460 nan 8.230 nan 0.000 0.444 197 S N 4.663 120.381 115.700 0.030 0.000 2.709 197 S HA 0.509 4.980 4.470 0.001 0.000 0.305 197 S C -2.018 172.621 174.600 0.064 0.000 0.974 197 S CA -0.565 57.660 58.200 0.042 0.000 0.837 197 S CB 0.663 63.876 63.200 0.022 0.000 1.032 197 S HN 1.102 nan 8.310 nan 0.000 0.461 198 N N 3.257 122.005 118.700 0.079 0.000 2.405 198 N HA 0.424 5.164 4.740 0.001 0.000 0.274 198 N C -2.953 172.582 175.510 0.042 0.000 1.170 198 N CA -1.469 51.630 53.050 0.083 0.000 0.848 198 N CB 1.546 40.103 38.487 0.117 0.000 1.629 198 N HN 0.253 nan 8.380 nan 0.000 0.481 199 P HA -0.085 nan 4.420 nan 0.000 0.218 199 P C 1.423 178.656 177.300 -0.111 0.000 1.146 199 P CA 0.742 63.817 63.100 -0.042 0.000 0.813 199 P CB 0.358 32.081 31.700 0.038 0.000 0.778 200 L N -2.552 118.576 121.223 -0.158 0.000 2.034 200 L HA 0.002 4.343 4.340 0.001 0.000 0.203 200 L C 1.998 178.567 176.870 -0.502 0.000 1.074 200 L CA 1.882 56.467 54.840 -0.424 0.000 0.748 200 L CB -1.503 40.151 42.059 -0.676 0.000 0.905 200 L HN -0.061 nan 8.230 nan 0.000 0.439 201 F N -1.137 118.806 119.950 -0.012 0.000 2.695 201 F HA 0.467 4.995 4.527 0.001 0.000 0.303 201 F C 1.566 177.353 175.800 -0.022 0.000 1.091 201 F CA 0.265 58.257 58.000 -0.013 0.000 1.300 201 F CB -0.219 38.775 39.000 -0.009 0.000 1.071 201 F HN 0.181 nan 8.300 nan 0.000 0.578 202 G N 0.880 109.735 108.800 0.092 0.000 2.598 202 G HA2 -0.326 3.635 3.960 0.001 0.000 0.244 202 G HA3 -0.326 3.635 3.960 0.001 0.000 0.244 202 G C -0.495 174.441 174.900 0.060 0.000 1.302 202 G CA -0.498 44.630 45.100 0.047 0.000 0.903 202 G HN 0.320 nan 8.290 nan 0.000 0.575 203 Q N -0.289 119.529 119.800 0.030 0.000 2.259 203 Q HA 0.633 4.974 4.340 0.001 0.000 0.249 203 Q C 0.102 176.114 176.000 0.021 0.000 0.914 203 Q CA 0.155 55.971 55.803 0.021 0.000 0.904 203 Q CB 0.942 29.684 28.738 0.006 0.000 1.213 203 Q HN 0.677 nan 8.270 nan 0.000 0.428 204 T N 3.860 118.425 114.554 0.019 0.000 2.867 204 T HA 0.569 4.920 4.350 0.001 0.000 0.282 204 T C -0.509 174.203 174.700 0.021 0.000 1.000 204 T CA -0.458 61.651 62.100 0.014 0.000 1.042 204 T CB 0.777 69.652 68.868 0.012 0.000 0.973 204 T HN 0.586 nan 8.240 nan 0.000 0.465 205 M N 2.431 122.045 119.600 0.022 0.000 2.664 205 M HA 0.366 4.847 4.480 0.001 0.000 0.314 205 M C 0.341 176.680 176.300 0.065 0.000 1.200 205 M CA -0.783 54.539 55.300 0.036 0.000 0.916 205 M CB 1.572 34.184 32.600 0.020 0.000 1.717 205 M HN 0.436 nan 8.290 nan 0.000 0.470 206 N N 2.657 121.415 118.700 0.096 0.000 2.497 206 N HA 0.125 4.865 4.740 0.001 0.000 0.268 206 N C -1.890 173.703 175.510 0.140 0.000 1.171 206 N CA -0.992 52.151 53.050 0.155 0.000 0.948 206 N CB 1.226 39.826 38.487 0.188 0.000 1.069 206 N HN 0.370 nan 8.380 nan 0.000 0.460 207 P HA -0.105 nan 4.420 nan 0.000 0.218 207 P C 0.853 178.151 177.300 -0.003 0.000 1.149 207 P CA 1.343 64.453 63.100 0.016 0.000 0.817 207 P CB 0.023 31.679 31.700 -0.075 0.000 0.785 208 W N 0.964 122.274 121.300 0.016 0.000 2.407 208 W HA 0.092 4.752 4.660 0.001 0.000 0.305 208 W C 1.353 177.873 176.519 0.001 0.000 1.196 208 W CA 0.805 58.156 57.345 0.010 0.000 1.311 208 W CB -0.317 29.149 29.460 0.011 0.000 1.135 208 W HN -0.110 nan 8.180 nan 0.000 0.514 209 K N -0.627 119.915 120.400 0.236 0.000 2.513 209 K HA 0.237 4.558 4.320 0.001 0.000 0.251 209 K C 0.464 177.113 176.600 0.082 0.000 0.939 209 K CA -0.264 56.097 56.287 0.124 0.000 0.793 209 K CB 1.820 34.379 32.500 0.099 0.000 1.241 209 K HN -0.356 nan 8.250 nan 0.000 0.431 210 S N 0.338 116.067 115.700 0.048 0.000 2.453 210 S HA -0.109 4.362 4.470 0.001 0.000 0.231 210 S C 1.407 176.019 174.600 0.021 0.000 1.005 210 S CA 1.304 59.522 58.200 0.030 0.000 0.949 210 S CB -0.010 63.198 63.200 0.014 0.000 0.774 210 S HN 0.750 nan 8.310 nan 0.000 0.510 211 S N 0.437 116.147 115.700 0.017 0.000 2.603 211 S HA 0.174 4.644 4.470 0.001 0.000 0.220 211 S C 0.454 175.052 174.600 -0.004 0.000 0.967 211 S CA 0.041 58.242 58.200 0.002 0.000 0.920 211 S CB 0.057 63.255 63.200 -0.004 0.000 0.773 211 S HN 0.036 nan 8.310 nan 0.000 0.529 212 K N 1.757 122.164 120.400 0.010 0.000 2.208 212 K HA 0.474 4.795 4.320 0.001 0.000 0.247 212 K C -0.274 176.349 176.600 0.038 0.000 0.953 212 K CA -0.510 55.778 56.287 0.003 0.000 0.837 212 K CB 1.625 34.121 32.500 -0.007 0.000 1.131 212 K HN 0.173 nan 8.250 nan 0.000 0.431 213 S N 1.465 117.197 115.700 0.052 0.000 2.565 213 S HA 0.212 4.683 4.470 0.001 0.000 0.276 213 S C -1.720 173.024 174.600 0.241 0.000 1.326 213 S CA -1.182 57.090 58.200 0.120 0.000 1.045 213 S CB 0.502 63.778 63.200 0.126 0.000 0.918 213 S HN 0.228 nan 8.310 nan 0.000 0.505 214 P HA 0.214 nan 4.420 nan 0.000 0.233 214 P C 0.844 178.296 177.300 0.253 0.000 1.167 214 P CA 0.982 64.219 63.100 0.228 0.000 0.770 214 P CB -0.557 31.220 31.700 0.128 0.000 0.837 215 G N -1.275 107.652 108.800 0.211 0.000 2.725 215 G HA2 0.300 4.261 3.960 0.001 0.000 0.220 215 G HA3 0.300 4.261 3.960 0.001 0.000 0.220 215 G C -0.201 174.679 174.900 -0.033 0.000 1.357 215 G CA -0.631 44.394 45.100 -0.126 0.000 0.866 215 G HN 0.606 nan 8.290 nan 0.000 0.548 216 G N -2.692 106.096 108.800 -0.020 0.000 2.316 216 G HA2 0.665 4.625 3.960 0.001 0.000 0.296 216 G HA3 0.665 4.625 3.960 0.001 0.000 0.296 216 G C 0.753 175.714 174.900 0.101 0.000 1.399 216 G CA 0.889 46.009 45.100 0.032 0.000 0.833 216 G HN 2.226 nan 8.290 nan 0.000 0.565 217 S N -1.157 114.599 115.700 0.094 0.000 2.522 217 S HA 0.042 4.513 4.470 0.001 0.000 0.227 217 S C 1.413 176.036 174.600 0.038 0.000 0.986 217 S CA 1.357 59.590 58.200 0.055 0.000 0.929 217 S CB -0.024 63.208 63.200 0.052 0.000 0.769 217 S HN 1.000 nan 8.310 nan 0.000 0.529 218 S N 1.636 117.365 115.700 0.048 0.000 3.122 218 S HA 0.383 4.853 4.470 0.001 0.000 0.249 218 S C 1.355 175.980 174.600 0.042 0.000 1.334 218 S CA -0.071 58.157 58.200 0.047 0.000 1.251 218 S CB -0.074 63.167 63.200 0.068 0.000 1.034 218 S HN 0.664 nan 8.310 nan 0.000 0.478 219 G N 1.738 110.557 108.800 0.032 0.000 2.453 219 G HA2 0.086 4.046 3.960 0.001 0.000 0.215 219 G HA3 0.086 4.046 3.960 0.001 0.000 0.215 219 G C 1.295 176.213 174.900 0.031 0.000 1.147 219 G CA 0.327 45.448 45.100 0.036 0.000 0.802 219 G HN 0.594 nan 8.290 nan 0.000 0.535 220 G N 0.924 109.729 108.800 0.007 0.000 2.422 220 G HA2 -0.125 3.836 3.960 0.001 0.000 0.218 220 G HA3 -0.125 3.836 3.960 0.001 0.000 0.218 220 G C 1.592 176.486 174.900 -0.011 0.000 1.146 220 G CA 0.970 46.061 45.100 -0.015 0.000 0.769 220 G HN 0.360 nan 8.290 nan 0.000 0.547 221 E N 0.806 121.009 120.200 0.004 0.000 2.058 221 E HA -0.121 4.230 4.350 0.001 0.000 0.194 221 E C 2.767 179.386 176.600 0.031 0.000 0.997 221 E CA 1.185 57.593 56.400 0.014 0.000 0.801 221 E CB -0.869 28.853 29.700 0.036 0.000 0.746 221 E HN 0.368 nan 8.360 nan 0.000 0.450 222 G N 1.337 110.167 108.800 0.050 0.000 2.459 222 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 222 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 222 G C 1.733 176.686 174.900 0.089 0.000 1.183 222 G CA 1.436 46.584 45.100 0.080 0.000 0.776 222 G HN 0.404 nan 8.290 nan 0.000 0.552 223 A N -0.320 122.544 122.820 0.072 0.000 2.066 223 A HA 0.254 4.574 4.320 0.001 0.000 0.218 223 A C 2.267 179.870 177.584 0.032 0.000 1.157 223 A CA 1.365 53.442 52.037 0.066 0.000 0.670 223 A CB -0.200 18.831 19.000 0.051 0.000 0.804 223 A HN 0.391 nan 8.150 nan 0.000 0.453 224 L N -0.625 120.608 121.223 0.017 0.000 2.162 224 L HA 0.155 4.495 4.340 0.001 0.000 0.205 224 L C 2.080 178.964 176.870 0.022 0.000 1.086 224 L CA 1.340 56.183 54.840 0.005 0.000 0.778 224 L CB -0.248 41.796 42.059 -0.025 0.000 0.928 224 L HN 0.381 nan 8.230 nan 0.000 0.446 225 I N -0.389 120.197 120.570 0.027 0.000 2.277 225 I HA -0.011 4.160 4.170 0.001 0.000 0.243 225 I C 1.424 177.570 176.117 0.047 0.000 1.094 225 I CA 0.595 61.911 61.300 0.027 0.000 1.393 225 I CB -0.933 37.081 38.000 0.024 0.000 1.078 225 I HN 0.303 nan 8.210 nan 0.000 0.417 226 G N 0.165 109.010 108.800 0.075 0.000 2.491 226 G HA2 0.203 4.164 3.960 0.001 0.000 0.238 226 G HA3 0.203 4.164 3.960 0.001 0.000 0.238 226 G C 0.911 175.811 174.900 0.001 0.000 1.277 226 G CA 0.433 45.581 45.100 0.081 0.000 0.851 226 G HN 0.569 nan 8.290 nan 0.000 0.573 227 S N -0.353 115.294 115.700 -0.090 0.000 3.011 227 S HA -0.154 4.316 4.470 0.001 0.000 0.278 227 S C 1.890 176.481 174.600 -0.014 0.000 1.300 227 S CA 1.490 59.629 58.200 -0.101 0.000 1.248 227 S CB -1.630 61.504 63.200 -0.110 0.000 1.517 227 S HN 3.021 nan 8.310 nan 0.000 0.685 228 G N -0.019 108.799 108.800 0.029 0.000 2.171 228 G HA2 0.118 4.078 3.960 0.001 0.000 0.238 228 G HA3 0.118 4.078 3.960 0.001 0.000 0.238 228 G C 0.902 175.913 174.900 0.184 0.000 1.039 228 G CA 0.584 45.741 45.100 0.095 0.000 0.759 228 G HN 1.960 nan 8.290 nan 0.000 0.501 229 G N -0.982 107.894 108.800 0.126 0.000 3.277 229 G HA2 0.549 4.510 3.960 0.001 0.000 0.243 229 G HA3 0.549 4.510 3.960 0.001 0.000 0.243 229 G C 0.349 175.330 174.900 0.134 0.000 1.107 229 G CA 1.210 46.424 45.100 0.190 0.000 0.771 229 G HN 1.744 nan 8.290 nan 0.000 0.544 230 S N -0.148 115.511 115.700 -0.070 0.000 2.562 230 S HA 0.522 4.992 4.470 0.001 0.000 0.274 230 S C -2.346 172.058 174.600 -0.326 0.000 1.160 230 S CA -0.835 57.251 58.200 -0.191 0.000 0.933 230 S CB 2.607 65.885 63.200 0.129 0.000 1.100 230 S HN -0.113 nan 8.310 nan 0.000 0.468 231 P HA 0.173 nan 4.420 nan 0.000 0.220 231 P C 0.056 177.281 177.300 -0.125 0.000 1.152 231 P CA 0.457 63.388 63.100 -0.283 0.000 0.812 231 P CB 0.049 31.576 31.700 -0.290 0.000 0.792 232 L N -1.183 119.977 121.223 -0.105 0.000 2.472 232 L HA 0.812 5.153 4.340 0.001 0.000 0.260 232 L C -0.953 175.897 176.870 -0.032 0.000 0.963 232 L CA -0.753 54.052 54.840 -0.058 0.000 0.829 232 L CB 1.985 44.005 42.059 -0.065 0.000 1.348 232 L HN 0.024 nan 8.230 nan 0.000 0.408 233 G N 3.036 111.817 108.800 -0.032 0.000 2.696 233 G HA2 0.604 4.565 3.960 0.001 0.000 0.295 233 G HA3 0.604 4.565 3.960 0.001 0.000 0.295 233 G C -2.329 172.538 174.900 -0.055 0.000 1.398 233 G CA -0.603 44.474 45.100 -0.037 0.000 0.920 233 G HN 0.477 nan 8.290 nan 0.000 0.492 234 L N 0.913 122.067 121.223 -0.115 0.000 2.309 234 L HA 0.827 5.168 4.340 0.001 0.000 0.282 234 L C 0.839 177.794 176.870 0.141 0.000 1.036 234 L CA -0.184 54.575 54.840 -0.135 0.000 0.806 234 L CB 1.328 43.024 42.059 -0.605 0.000 1.220 234 L HN 0.800 nan 8.230 nan 0.000 0.429 235 G N 0.837 109.795 108.800 0.264 0.000 2.818 235 G HA2 0.768 4.729 3.960 0.001 0.000 0.286 235 G HA3 0.768 4.729 3.960 0.001 0.000 0.286 235 G C -1.115 173.949 174.900 0.274 0.000 1.364 235 G CA -0.229 45.052 45.100 0.301 0.000 0.938 235 G HN 0.602 nan 8.290 nan 0.000 0.490 236 T N -1.998 112.621 114.554 0.108 0.000 2.906 236 T HA 0.696 5.046 4.350 0.001 0.000 0.295 236 T C -1.766 172.945 174.700 0.017 0.000 1.075 236 T CA -0.784 61.330 62.100 0.024 0.000 1.005 236 T CB 2.719 71.524 68.868 -0.106 0.000 1.136 236 T HN 0.421 nan 8.240 nan 0.000 0.498 237 D N 1.032 121.435 120.400 0.005 0.000 2.890 237 D HA 0.358 4.999 4.640 0.001 0.000 0.233 237 D C -0.369 175.921 176.300 -0.017 0.000 1.306 237 D CA -0.479 53.521 54.000 -0.000 0.000 0.929 237 D CB 2.119 42.918 40.800 -0.002 0.000 1.512 237 D HN 0.642 nan 8.370 nan 0.000 0.568 238 I N 1.656 122.212 120.570 -0.023 0.000 4.439 238 I HA 0.259 4.430 4.170 0.001 0.000 0.331 238 I C 0.793 176.876 176.117 -0.057 0.000 1.345 238 I CA 0.147 61.420 61.300 -0.045 0.000 1.193 238 I CB 1.007 38.971 38.000 -0.060 0.000 1.221 238 I HN 0.487 nan 8.210 nan 0.000 0.429 239 G N -0.434 108.347 108.800 -0.032 0.000 4.956 239 G HA2 0.385 4.346 3.960 0.001 0.000 0.263 239 G HA3 0.385 4.346 3.960 0.001 0.000 0.263 239 G C 0.701 175.590 174.900 -0.019 0.000 0.958 239 G CA 0.390 45.469 45.100 -0.035 0.000 0.749 239 G HN 0.356 nan 8.290 nan 0.000 0.356 240 G N -0.177 108.577 108.800 -0.077 0.000 2.183 240 G HA2 -0.209 3.752 3.960 0.001 0.000 0.168 240 G HA3 -0.209 3.752 3.960 0.001 0.000 0.168 240 G C 1.162 176.008 174.900 -0.091 0.000 1.008 240 G CA 0.599 45.529 45.100 -0.283 0.000 0.677 240 G HN 0.463 nan 8.290 nan 0.000 0.498 241 S N -0.391 115.349 115.700 0.066 0.000 2.489 241 S HA 0.219 4.689 4.470 0.001 0.000 0.228 241 S C 2.212 176.852 174.600 0.067 0.000 0.995 241 S CA 0.995 59.272 58.200 0.129 0.000 0.934 241 S CB -0.039 63.218 63.200 0.094 0.000 0.771 241 S HN 0.509 nan 8.310 nan 0.000 0.522 242 I N 0.604 121.185 120.570 0.019 0.000 2.480 242 I HA -0.031 4.140 4.170 0.001 0.000 0.251 242 I C 2.455 178.560 176.117 -0.018 0.000 1.124 242 I CA 0.836 62.146 61.300 0.016 0.000 1.444 242 I CB 0.013 38.025 38.000 0.019 0.000 1.098 242 I HN 0.119 nan 8.210 nan 0.000 0.428 243 R N -0.389 120.053 120.500 -0.096 0.000 2.093 243 R HA -0.034 4.307 4.340 0.001 0.000 0.224 243 R C 2.168 178.356 176.300 -0.186 0.000 1.101 243 R CA 1.062 57.065 56.100 -0.162 0.000 0.979 243 R CB -0.202 29.949 30.300 -0.248 0.000 0.877 243 R HN 0.125 nan 8.270 nan 0.000 0.441 244 F N 0.855 120.695 119.950 -0.184 0.000 2.095 244 F HA -0.078 4.450 4.527 0.001 0.000 0.298 244 F C -0.709 174.813 175.800 -0.462 0.000 1.104 244 F CA 0.988 58.735 58.000 -0.422 0.000 1.232 244 F CB -1.299 37.430 39.000 -0.451 0.000 0.987 244 F HN 0.005 nan 8.300 nan 0.000 0.475 245 P HA -0.046 nan 4.420 nan 0.000 0.220 245 P C 1.686 179.039 177.300 0.089 0.000 1.152 245 P CA 1.677 64.795 63.100 0.030 0.000 0.812 245 P CB -0.008 31.723 31.700 0.050 0.000 0.792 246 S N 0.583 116.320 115.700 0.062 0.000 2.351 246 S HA -0.222 4.249 4.470 0.001 0.000 0.220 246 S C 2.139 176.804 174.600 0.108 0.000 1.035 246 S CA 1.633 59.878 58.200 0.074 0.000 1.031 246 S CB -1.501 61.721 63.200 0.037 0.000 0.928 246 S HN 0.146 nan 8.310 nan 0.000 0.433 247 A N 1.780 124.665 122.820 0.109 0.000 1.869 247 A HA -0.147 4.174 4.320 0.001 0.000 0.218 247 A C 1.945 179.714 177.584 0.309 0.000 1.203 247 A CA 1.971 54.122 52.037 0.189 0.000 0.638 247 A CB -1.130 18.013 19.000 0.238 0.000 0.831 247 A HN 0.437 nan 8.150 nan 0.000 0.450 248 F N -0.607 119.392 119.950 0.083 0.000 2.234 248 F HA -0.097 4.431 4.527 0.002 0.000 0.299 248 F C 2.554 178.370 175.800 0.026 0.000 1.087 248 F CA 0.205 58.237 58.000 0.053 0.000 1.340 248 F CB -1.189 37.875 39.000 0.108 0.000 1.031 248 F HN 0.255 nan 8.300 nan 0.000 0.500 249 C N -0.910 118.565 119.300 0.292 0.000 2.673 249 C HA 0.488 4.949 4.460 0.001 0.000 0.264 249 C C 1.789 176.998 174.990 0.364 0.000 1.304 249 C CA 0.516 59.731 59.018 0.328 0.000 1.727 249 C CB -0.808 27.103 27.740 0.285 0.000 1.932 249 C HN 0.704 nan 8.230 nan 0.000 0.563 250 G N 1.701 110.615 108.800 0.189 0.000 2.203 250 G HA2 -0.187 3.774 3.960 0.001 0.000 0.231 250 G HA3 -0.187 3.774 3.960 0.001 0.000 0.231 250 G C -0.211 174.794 174.900 0.176 0.000 1.058 250 G CA 0.442 45.632 45.100 0.150 0.000 0.781 250 G HN 0.701 nan 8.290 nan 0.000 0.496 251 I N -3.662 116.992 120.570 0.139 0.000 3.436 251 I HA 0.881 5.052 4.170 0.001 0.000 0.300 251 I C 0.441 176.599 176.117 0.068 0.000 1.131 251 I CA -1.702 59.662 61.300 0.107 0.000 1.001 251 I CB 1.631 39.695 38.000 0.106 0.000 1.305 251 I HN 0.053 nan 8.210 nan 0.000 0.494 252 C N 1.001 120.332 119.300 0.052 0.000 2.391 252 C HA 0.954 5.415 4.460 0.001 0.000 0.339 252 C C 0.379 175.386 174.990 0.028 0.000 1.205 252 C CA -0.166 58.872 59.018 0.033 0.000 1.937 252 C CB 0.305 28.063 27.740 0.030 0.000 2.341 252 C HN 1.032 nan 8.230 nan 0.000 0.516 253 G N 1.403 110.214 108.800 0.019 0.000 2.733 253 G HA2 0.567 4.528 3.960 0.001 0.000 0.297 253 G HA3 0.567 4.528 3.960 0.001 0.000 0.297 253 G C -1.939 172.968 174.900 0.012 0.000 1.452 253 G CA -0.412 44.698 45.100 0.017 0.000 0.940 253 G HN 0.908 nan 8.290 nan 0.000 0.547 254 L N 0.881 122.115 121.223 0.017 0.000 2.381 254 L HA 0.791 5.132 4.340 0.001 0.000 0.274 254 L C -0.134 176.749 176.870 0.022 0.000 0.988 254 L CA -0.927 53.925 54.840 0.019 0.000 0.824 254 L CB 1.885 43.963 42.059 0.031 0.000 1.263 254 L HN 0.451 nan 8.230 nan 0.000 0.410 255 K N 6.417 126.825 120.400 0.013 0.000 2.284 255 K HA 0.451 4.772 4.320 0.001 0.000 0.287 255 K C -2.452 174.155 176.600 0.010 0.000 1.081 255 K CA -1.624 54.672 56.287 0.015 0.000 0.910 255 K CB 0.780 33.283 32.500 0.005 0.000 1.088 255 K HN 0.427 nan 8.250 nan 0.000 0.478 256 P HA 0.006 nan 4.420 nan 0.000 0.272 256 P C -0.877 176.380 177.300 -0.073 0.000 1.240 256 P CA -0.248 62.843 63.100 -0.014 0.000 0.791 256 P CB 0.373 32.084 31.700 0.020 0.000 0.978 257 T N 0.865 115.312 114.554 -0.178 0.000 2.800 257 T HA 0.006 4.356 4.350 0.001 0.000 0.283 257 T C 1.903 176.440 174.700 -0.272 0.000 0.999 257 T CA 0.687 62.575 62.100 -0.353 0.000 1.176 257 T CB -0.222 68.137 68.868 -0.848 0.000 0.973 257 T HN 0.616 nan 8.240 nan 0.000 0.519 258 G N 2.586 111.277 108.800 -0.182 0.000 2.503 258 G HA2 -0.304 3.657 3.960 0.001 0.000 0.221 258 G HA3 -0.304 3.657 3.960 0.001 0.000 0.221 258 G C 1.195 176.083 174.900 -0.020 0.000 1.131 258 G CA 0.449 45.505 45.100 -0.073 0.000 0.756 258 G HN 0.788 nan 8.290 nan 0.000 0.572 259 N N -0.302 118.371 118.700 -0.045 0.000 2.313 259 N HA 0.053 4.794 4.740 0.001 0.000 0.207 259 N C 1.955 177.669 175.510 0.340 0.000 1.141 259 N CA -0.273 52.880 53.050 0.171 0.000 0.830 259 N CB 0.117 38.794 38.487 0.316 0.000 1.008 259 N HN 0.093 nan 8.380 nan 0.000 0.481 260 R N 0.094 120.711 120.500 0.195 0.000 2.090 260 R HA 0.165 4.505 4.340 0.001 0.000 0.228 260 R C 0.287 176.768 176.300 0.301 0.000 1.110 260 R CA 1.098 57.403 56.100 0.342 0.000 0.973 260 R CB 0.135 30.558 30.300 0.204 0.000 0.869 260 R HN 0.146 nan 8.270 nan 0.000 0.440 261 L N -0.761 120.588 121.223 0.210 0.000 2.323 261 L HA 0.421 4.762 4.340 0.001 0.000 0.265 261 L C -0.031 176.943 176.870 0.174 0.000 1.012 261 L CA -1.148 53.804 54.840 0.188 0.000 0.820 261 L CB 1.759 43.904 42.059 0.144 0.000 1.334 261 L HN -0.103 nan 8.230 nan 0.000 0.427 262 S N 0.197 115.994 115.700 0.161 0.000 2.564 262 S HA 0.137 4.608 4.470 0.001 0.000 0.278 262 S C 0.463 175.146 174.600 0.138 0.000 1.333 262 S CA -0.146 58.141 58.200 0.145 0.000 1.048 262 S CB 0.545 63.821 63.200 0.127 0.000 0.900 262 S HN 0.665 nan 8.310 nan 0.000 0.505 263 K N 2.647 123.119 120.400 0.121 0.000 2.399 263 K HA 0.150 4.471 4.320 0.001 0.000 0.204 263 K C 1.686 178.348 176.600 0.103 0.000 1.023 263 K CA -0.088 56.263 56.287 0.106 0.000 1.127 263 K CB 0.131 32.685 32.500 0.091 0.000 0.856 263 K HN 0.574 nan 8.250 nan 0.000 0.514 264 S N 0.135 115.897 115.700 0.105 0.000 2.343 264 S HA -0.092 4.379 4.470 0.001 0.000 0.219 264 S C 1.623 176.274 174.600 0.085 0.000 1.033 264 S CA 1.615 59.867 58.200 0.088 0.000 1.014 264 S CB -0.052 63.194 63.200 0.076 0.000 0.915 264 S HN 0.486 nan 8.310 nan 0.000 0.435 265 G N 0.869 109.726 108.800 0.094 0.000 3.448 265 G HA2 0.368 4.329 3.960 0.001 0.000 0.261 265 G HA3 0.368 4.329 3.960 0.001 0.000 0.261 265 G C -0.257 174.704 174.900 0.101 0.000 1.173 265 G CA -0.354 44.802 45.100 0.092 0.000 0.835 265 G HN 0.333 nan 8.290 nan 0.000 0.534 266 L N 0.835 122.108 121.223 0.083 0.000 2.360 266 L HA 0.326 4.667 4.340 0.001 0.000 0.276 266 L C 0.564 177.479 176.870 0.074 0.000 1.121 266 L CA -0.263 54.581 54.840 0.007 0.000 0.845 266 L CB 1.153 43.178 42.059 -0.058 0.000 1.143 266 L HN -0.066 nan 8.230 nan 0.000 0.452 267 K N 1.773 122.187 120.400 0.023 0.000 2.326 267 K HA 0.613 4.934 4.320 0.001 0.000 0.275 267 K C -0.092 176.460 176.600 -0.080 0.000 1.018 267 K CA 0.206 56.522 56.287 0.048 0.000 0.962 267 K CB 0.828 33.342 32.500 0.022 0.000 0.953 267 K HN 0.726 nan 8.250 nan 0.000 0.475 268 G N 0.879 109.559 108.800 -0.200 0.000 2.704 268 G HA2 0.226 4.187 3.960 0.001 0.000 0.293 268 G HA3 0.226 4.187 3.960 0.001 0.000 0.293 268 G C 0.307 174.946 174.900 -0.435 0.000 1.421 268 G CA -0.471 44.428 45.100 -0.334 0.000 0.870 268 G HN 0.853 nan 8.290 nan 0.000 0.492 269 C N -0.200 118.965 119.300 -0.225 0.000 2.514 269 C HA 0.476 4.937 4.460 0.001 0.000 0.271 269 C C 0.958 175.880 174.990 -0.112 0.000 1.399 269 C CA 0.214 59.152 59.018 -0.132 0.000 1.765 269 C CB -1.251 26.464 27.740 -0.042 0.000 1.893 269 C HN 1.093 nan 8.230 nan 0.000 0.531 270 V N 0.012 119.821 119.914 -0.175 0.000 2.709 270 V HA 0.723 4.844 4.120 0.001 0.000 0.308 270 V C -1.658 174.278 176.094 -0.263 0.000 1.062 270 V CA -0.723 61.517 62.300 -0.101 0.000 0.901 270 V CB 1.578 33.465 31.823 0.105 0.000 1.003 270 V HN 0.364 nan 8.190 nan 0.000 0.425 271 Y N 3.791 124.129 120.300 0.064 0.000 2.487 271 Y HA 0.787 5.338 4.550 0.002 0.000 0.337 271 Y C 1.338 177.268 175.900 0.051 0.000 1.076 271 Y CA 0.306 58.435 58.100 0.048 0.000 1.115 271 Y CB 2.317 40.801 38.460 0.040 0.000 1.235 271 Y HN 1.175 nan 8.280 nan 0.000 0.468 272 G N 0.745 109.673 108.800 0.214 0.000 2.176 272 G HA2 -0.253 3.707 3.960 0.001 0.000 0.253 272 G HA3 -0.253 3.707 3.960 0.001 0.000 0.253 272 G C 0.145 175.105 174.900 0.101 0.000 0.979 272 G CA -0.387 44.800 45.100 0.144 0.000 0.641 272 G HN 0.495 nan 8.290 nan 0.000 0.530 273 Q N 1.333 121.180 119.800 0.079 0.000 2.276 273 Q HA 0.331 4.671 4.340 0.001 0.000 0.267 273 Q C 1.284 177.307 176.000 0.037 0.000 1.135 273 Q CA 1.379 57.208 55.803 0.044 0.000 0.910 273 Q CB 0.278 29.022 28.738 0.010 0.000 1.271 273 Q HN 0.618 nan 8.270 nan 0.000 0.417 274 T N -0.746 113.834 114.554 0.044 0.000 3.111 274 T HA 0.468 4.819 4.350 0.001 0.000 0.284 274 T C 0.284 175.002 174.700 0.030 0.000 0.983 274 T CA -0.097 62.028 62.100 0.041 0.000 0.900 274 T CB 0.623 69.526 68.868 0.059 0.000 1.132 274 T HN 0.417 nan 8.240 nan 0.000 0.531 275 A N 1.571 124.401 122.820 0.018 0.000 2.306 275 A HA 0.735 5.056 4.320 0.001 0.000 0.314 275 A C 0.230 177.792 177.584 -0.036 0.000 1.164 275 A CA -0.637 51.398 52.037 -0.003 0.000 0.822 275 A CB 0.321 19.320 19.000 -0.002 0.000 1.130 275 A HN 1.045 nan 8.150 nan 0.000 0.496 276 V N 1.741 121.625 119.914 -0.051 0.000 3.541 276 V HA -0.155 3.965 4.120 0.001 0.000 0.501 276 V C -0.424 175.638 176.094 -0.054 0.000 0.682 276 V CA 0.375 62.631 62.300 -0.074 0.000 2.045 276 V CB -1.341 30.413 31.823 -0.116 0.000 2.474 276 V HN 0.994 nan 8.190 nan 0.000 0.507 277 Q N 3.136 122.907 119.800 -0.047 0.000 2.274 277 Q HA 0.608 4.949 4.340 0.001 0.000 0.256 277 Q C -0.183 175.798 176.000 -0.033 0.000 0.927 277 Q CA -0.807 54.977 55.803 -0.031 0.000 0.939 277 Q CB 2.026 30.745 28.738 -0.031 0.000 1.201 277 Q HN 0.724 nan 8.270 nan 0.000 0.426 278 L N 2.428 123.637 121.223 -0.023 0.000 2.349 278 L HA 0.280 4.621 4.340 0.001 0.000 0.275 278 L C -0.622 176.243 176.870 -0.007 0.000 1.115 278 L CA 0.518 55.346 54.840 -0.021 0.000 0.820 278 L CB 0.822 42.867 42.059 -0.023 0.000 1.135 278 L HN 0.606 nan 8.230 nan 0.000 0.445 279 S N 4.970 120.668 115.700 -0.003 0.000 2.569 279 S HA 0.820 5.291 4.470 0.001 0.000 0.280 279 S C -0.908 173.718 174.600 0.042 0.000 1.111 279 S CA -0.974 57.237 58.200 0.018 0.000 0.887 279 S CB 1.519 64.723 63.200 0.006 0.000 1.095 279 S HN 0.659 nan 8.310 nan 0.000 0.476 280 L N -0.920 120.356 121.223 0.088 0.000 2.354 280 L HA 1.096 5.437 4.340 0.001 0.000 0.269 280 L C 0.058 177.013 176.870 0.143 0.000 1.005 280 L CA -0.572 54.367 54.840 0.164 0.000 0.819 280 L CB 1.499 43.735 42.059 0.296 0.000 1.311 280 L HN 0.993 nan 8.230 nan 0.000 0.423 281 G N 0.490 109.376 108.800 0.143 0.000 2.550 281 G HA2 0.629 4.590 3.960 0.001 0.000 0.293 281 G HA3 0.629 4.590 3.960 0.001 0.000 0.293 281 G C -3.355 171.580 174.900 0.059 0.000 1.402 281 G CA -0.984 44.165 45.100 0.082 0.000 0.784 281 G HN 0.484 nan 8.290 nan 0.000 0.482 282 P HA 0.437 nan 4.420 nan 0.000 0.278 282 P C -0.651 176.656 177.300 0.011 0.000 1.238 282 P CA -0.168 62.930 63.100 -0.003 0.000 0.794 282 P CB 1.146 32.830 31.700 -0.027 0.000 0.955 283 M N 1.944 121.549 119.600 0.009 0.000 2.311 283 M HA 0.754 5.235 4.480 0.001 0.000 0.325 283 M C -0.231 176.072 176.300 0.006 0.000 1.061 283 M CA -0.523 54.787 55.300 0.016 0.000 0.957 283 M CB 2.541 35.160 32.600 0.031 0.000 1.646 283 M HN 0.393 nan 8.290 nan 0.000 0.434 284 A N 1.999 124.826 122.820 0.011 0.000 2.568 284 A HA 0.620 4.941 4.320 0.001 0.000 0.291 284 A C 0.010 177.610 177.584 0.027 0.000 1.159 284 A CA -0.731 51.310 52.037 0.007 0.000 0.679 284 A CB 1.456 20.450 19.000 -0.009 0.000 1.285 284 A HN 0.900 nan 8.150 nan 0.000 0.428 285 R N -0.357 120.159 120.500 0.028 0.000 2.235 285 R HA 0.017 4.357 4.340 0.001 0.000 0.213 285 R C -0.689 175.641 176.300 0.050 0.000 1.059 285 R CA 1.633 57.762 56.100 0.048 0.000 0.997 285 R CB -0.129 30.201 30.300 0.049 0.000 0.884 285 R HN 0.841 nan 8.270 nan 0.000 0.462 286 D N -3.396 117.027 120.400 0.040 0.000 2.609 286 D HA -0.019 4.622 4.640 0.001 0.000 0.239 286 D C 0.371 176.697 176.300 0.043 0.000 1.229 286 D CA -0.721 53.306 54.000 0.044 0.000 0.808 286 D CB 1.375 42.204 40.800 0.048 0.000 1.448 286 D HN -0.199 nan 8.370 nan 0.000 0.433 287 V N 0.181 120.130 119.914 0.058 0.000 3.217 287 V HA 0.001 4.122 4.120 0.001 0.000 0.264 287 V C 1.165 177.320 176.094 0.102 0.000 1.135 287 V CA 1.438 63.783 62.300 0.075 0.000 1.142 287 V CB -0.622 31.253 31.823 0.087 0.000 0.754 287 V HN 0.584 nan 8.190 nan 0.000 0.484 288 E N 1.118 121.386 120.200 0.115 0.000 2.216 288 E HA -0.049 4.302 4.350 0.001 0.000 0.192 288 E C 2.331 178.940 176.600 0.015 0.000 0.988 288 E CA 1.429 57.904 56.400 0.124 0.000 0.834 288 E CB -0.151 29.633 29.700 0.139 0.000 0.772 288 E HN 0.777 nan 8.360 nan 0.000 0.479 289 S N 0.391 116.093 115.700 0.003 0.000 2.406 289 S HA -0.074 4.397 4.470 0.001 0.000 0.228 289 S C 1.725 176.284 174.600 -0.069 0.000 1.020 289 S CA 0.485 58.665 58.200 -0.033 0.000 0.965 289 S CB -0.085 63.105 63.200 -0.017 0.000 0.798 289 S HN 0.073 nan 8.310 nan 0.000 0.488 290 L N 1.674 122.864 121.223 -0.054 0.000 2.083 290 L HA 0.058 4.399 4.340 0.001 0.000 0.209 290 L C 2.598 179.382 176.870 -0.143 0.000 1.083 290 L CA 1.503 56.303 54.840 -0.066 0.000 0.752 290 L CB -0.956 41.092 42.059 -0.019 0.000 0.899 290 L HN 0.370 nan 8.230 nan 0.000 0.433 291 A N -1.501 121.184 122.820 -0.224 0.000 2.021 291 A HA -0.043 4.278 4.320 0.001 0.000 0.216 291 A C 2.290 179.516 177.584 -0.596 0.000 1.163 291 A CA 0.721 52.462 52.037 -0.493 0.000 0.676 291 A CB -0.502 18.050 19.000 -0.748 0.000 0.818 291 A HN 0.334 nan 8.150 nan 0.000 0.453 292 L N -0.826 120.204 121.223 -0.321 0.000 2.056 292 L HA -0.210 4.130 4.340 0.001 0.000 0.207 292 L C 2.719 179.438 176.870 -0.252 0.000 1.078 292 L CA 1.759 56.447 54.840 -0.253 0.000 0.749 292 L CB -0.336 41.647 42.059 -0.126 0.000 0.901 292 L HN 0.601 nan 8.230 nan 0.000 0.433 293 C N -0.216 118.962 119.300 -0.204 0.000 2.446 293 C HA -0.142 4.319 4.460 0.001 0.000 0.277 293 C C 2.740 177.620 174.990 -0.182 0.000 1.275 293 C CA 0.416 59.338 59.018 -0.161 0.000 1.727 293 C CB -0.794 26.878 27.740 -0.113 0.000 2.010 293 C HN 0.477 nan 8.230 nan 0.000 0.486 294 L N 1.029 122.116 121.223 -0.227 0.000 2.017 294 L HA -0.176 4.165 4.340 0.001 0.000 0.208 294 L C 2.719 179.432 176.870 -0.262 0.000 1.073 294 L CA 2.369 57.105 54.840 -0.173 0.000 0.745 294 L CB -0.670 41.354 42.059 -0.059 0.000 0.894 294 L HN 0.503 nan 8.230 nan 0.000 0.432 295 K N 0.098 120.104 120.400 -0.656 0.000 2.211 295 K HA -0.120 4.201 4.320 0.001 0.000 0.203 295 K C 1.834 178.309 176.600 -0.210 0.000 1.050 295 K CA 1.309 57.292 56.287 -0.508 0.000 0.945 295 K CB -0.098 31.933 32.500 -0.780 0.000 0.732 295 K HN 0.235 nan 8.250 nan 0.000 0.451 296 A N 1.279 123.982 122.820 -0.195 0.000 1.897 296 A HA 0.056 4.376 4.320 0.001 0.000 0.215 296 A C 1.996 179.519 177.584 -0.102 0.000 1.181 296 A CA 0.931 52.898 52.037 -0.118 0.000 0.620 296 A CB -0.435 18.502 19.000 -0.105 0.000 0.821 296 A HN 0.314 nan 8.150 nan 0.000 0.443 297 L N -0.646 120.512 121.223 -0.109 0.000 2.610 297 L HA 0.065 4.405 4.340 0.001 0.000 0.232 297 L C 0.301 177.067 176.870 -0.173 0.000 1.149 297 L CA -0.067 54.708 54.840 -0.109 0.000 0.872 297 L CB -0.037 41.980 42.059 -0.070 0.000 0.992 297 L HN 0.174 nan 8.230 nan 0.000 0.447 298 L N 0.614 121.750 121.223 -0.144 0.000 3.084 298 L HA 0.183 4.524 4.340 0.001 0.000 0.238 298 L C 0.236 176.940 176.870 -0.276 0.000 1.327 298 L CA -0.465 54.270 54.840 -0.174 0.000 1.094 298 L CB -0.559 41.605 42.059 0.175 0.000 1.477 298 L HN 0.262 nan 8.230 nan 0.000 0.514 299 C N -4.350 114.676 119.300 -0.458 0.000 2.630 299 C HA 0.822 5.283 4.460 0.001 0.000 0.346 299 C C 1.813 176.596 174.990 -0.346 0.000 1.245 299 C CA -0.123 58.739 59.018 -0.260 0.000 1.804 299 C CB 1.099 28.759 27.740 -0.134 0.000 2.279 299 C HN 0.536 nan 8.230 nan 0.000 0.498 300 E N -0.842 119.260 120.200 -0.164 0.000 2.204 300 E HA -0.172 4.178 4.350 0.001 0.000 0.195 300 E C 1.653 178.193 176.600 -0.101 0.000 0.990 300 E CA 1.897 58.251 56.400 -0.077 0.000 0.821 300 E CB -0.997 28.660 29.700 -0.071 0.000 0.750 300 E HN 0.877 nan 8.360 nan 0.000 0.477 301 H N -0.408 118.617 119.070 -0.076 0.000 2.265 301 H HA -0.098 4.459 4.556 0.001 0.000 0.295 301 H C 2.408 177.680 175.328 -0.093 0.000 1.084 301 H CA 1.787 57.792 56.048 -0.072 0.000 1.261 301 H CB -0.687 29.026 29.762 -0.081 0.000 1.360 301 H HN 0.421 nan 8.280 nan 0.000 0.487 302 L N 0.190 121.366 121.223 -0.079 0.000 2.017 302 L HA -0.149 4.192 4.340 0.001 0.000 0.208 302 L C 1.853 178.694 176.870 -0.050 0.000 1.073 302 L CA 1.239 55.985 54.840 -0.158 0.000 0.745 302 L CB -0.361 41.487 42.059 -0.352 0.000 0.894 302 L HN -0.008 nan 8.230 nan 0.000 0.432 303 F N -0.999 118.984 119.950 0.056 0.000 2.771 303 F HA -0.007 4.521 4.527 0.001 0.000 0.299 303 F C 2.108 177.928 175.800 0.032 0.000 1.177 303 F CA 0.841 58.864 58.000 0.039 0.000 1.450 303 F CB -1.266 37.748 39.000 0.024 0.000 1.114 303 F HN 0.077 nan 8.300 nan 0.000 0.587 304 T N -1.060 113.596 114.554 0.169 0.000 3.038 304 T HA 0.171 4.522 4.350 0.001 0.000 0.244 304 T C 1.815 176.569 174.700 0.090 0.000 1.016 304 T CA 0.148 62.316 62.100 0.114 0.000 1.098 304 T CB -0.057 68.865 68.868 0.090 0.000 0.954 304 T HN 0.119 nan 8.240 nan 0.000 0.469 305 L N 1.239 122.512 121.223 0.083 0.000 2.610 305 L HA 0.215 4.555 4.340 0.001 0.000 0.232 305 L C 0.174 177.086 176.870 0.071 0.000 1.149 305 L CA 0.551 55.428 54.840 0.061 0.000 0.872 305 L CB 0.056 42.138 42.059 0.038 0.000 0.992 305 L HN 0.152 nan 8.230 nan 0.000 0.447 306 D N -0.586 119.875 120.400 0.102 0.000 2.362 306 D HA 0.098 4.739 4.640 0.001 0.000 0.228 306 D C -2.177 174.208 176.300 0.143 0.000 1.326 306 D CA -0.877 53.190 54.000 0.112 0.000 0.927 306 D CB 1.411 42.282 40.800 0.118 0.000 1.501 306 D HN -0.220 nan 8.370 nan 0.000 0.519 307 P HA -0.021 nan 4.420 nan 0.000 0.242 307 P C 1.142 178.482 177.300 0.068 0.000 1.197 307 P CA 0.463 63.619 63.100 0.093 0.000 0.765 307 P CB -0.038 31.699 31.700 0.062 0.000 0.936 308 T N -3.270 111.332 114.554 0.080 0.000 2.985 308 T HA 0.026 4.377 4.350 0.001 0.000 0.266 308 T C 0.957 175.707 174.700 0.085 0.000 1.076 308 T CA 0.172 62.314 62.100 0.070 0.000 1.135 308 T CB -0.919 67.995 68.868 0.076 0.000 0.890 308 T HN -0.152 nan 8.240 nan 0.000 0.480 309 V N 4.939 124.932 119.914 0.132 0.000 2.508 309 V HA 0.265 4.386 4.120 0.001 0.000 0.281 309 V C -2.059 174.055 176.094 0.033 0.000 1.041 309 V CA -2.043 60.359 62.300 0.170 0.000 1.016 309 V CB 0.502 32.502 31.823 0.296 0.000 0.984 309 V HN 0.348 nan 8.190 nan 0.000 0.478 310 P HA 0.165 nan 4.420 nan 0.000 0.266 310 P C -2.469 174.507 177.300 -0.540 0.000 1.215 310 P CA -1.592 61.334 63.100 -0.290 0.000 0.763 310 P CB 0.145 31.597 31.700 -0.412 0.000 0.806 311 P HA 0.157 nan 4.420 nan 0.000 0.237 311 P C -0.550 176.164 177.300 -0.976 0.000 1.788 311 P CA 0.114 62.225 63.100 -1.649 0.000 1.061 311 P CB -0.104 31.039 31.700 -0.928 0.000 1.967 312 L N 4.804 125.641 121.223 -0.644 0.000 2.264 312 L HA 0.377 4.718 4.340 0.001 0.000 0.287 312 L C -1.765 175.193 176.870 0.146 0.000 1.039 312 L CA -2.263 52.479 54.840 -0.163 0.000 0.829 312 L CB 1.136 43.151 42.059 -0.073 0.000 1.211 312 L HN 0.067 nan 8.230 nan 0.000 0.427 313 P HA -0.043 nan 4.420 nan 0.000 0.272 313 P C -0.376 177.073 177.300 0.249 0.000 1.223 313 P CA -0.367 62.908 63.100 0.292 0.000 0.784 313 P CB 0.584 32.403 31.700 0.199 0.000 0.923 314 F N 2.878 122.901 119.950 0.121 0.000 2.612 314 F HA -0.005 4.523 4.527 0.001 0.000 0.389 314 F C 1.151 176.993 175.800 0.070 0.000 1.055 314 F CA 0.431 58.476 58.000 0.075 0.000 1.232 314 F CB 0.263 39.285 39.000 0.035 0.000 1.044 314 F HN 0.164 nan 8.300 nan 0.000 0.560 315 R N 5.198 125.496 120.500 -0.337 0.000 2.204 315 R HA 0.062 4.402 4.340 0.001 0.000 0.341 315 R C 0.835 177.018 176.300 -0.195 0.000 1.035 315 R CA -0.314 55.679 56.100 -0.179 0.000 0.887 315 R CB 1.034 31.245 30.300 -0.149 0.000 1.114 315 R HN 0.712 nan 8.270 nan 0.000 0.473 316 E N 2.478 122.705 120.200 0.045 0.000 2.107 316 E HA -0.180 4.171 4.350 0.001 0.000 0.191 316 E C 1.481 178.161 176.600 0.133 0.000 0.982 316 E CA 1.304 57.817 56.400 0.189 0.000 0.809 316 E CB 0.374 30.208 29.700 0.224 0.000 0.756 316 E HN 0.575 nan 8.360 nan 0.000 0.459 317 E N 0.090 120.327 120.200 0.061 0.000 2.274 317 E HA -0.098 4.253 4.350 0.001 0.000 0.194 317 E C 1.857 178.469 176.600 0.020 0.000 0.996 317 E CA 1.026 57.449 56.400 0.038 0.000 0.840 317 E CB -0.146 29.568 29.700 0.024 0.000 0.772 317 E HN 0.244 nan 8.360 nan 0.000 0.491 318 V N 0.413 120.327 119.914 -0.000 0.000 2.591 318 V HA -0.170 3.950 4.120 0.001 0.000 0.249 318 V C 2.167 178.288 176.094 0.045 0.000 1.053 318 V CA 1.325 63.621 62.300 -0.006 0.000 1.068 318 V CB -0.902 30.891 31.823 -0.050 0.000 0.689 318 V HN 0.188 nan 8.190 nan 0.000 0.462 319 Y N 1.535 121.789 120.300 -0.078 0.000 2.243 319 Y HA -0.038 4.513 4.550 0.001 0.000 0.293 319 Y C 2.643 178.575 175.900 0.054 0.000 1.124 319 Y CA 1.444 59.544 58.100 -0.000 0.000 1.159 319 Y CB -0.083 38.423 38.460 0.077 0.000 1.008 319 Y HN 0.034 nan 8.280 nan 0.000 0.527 320 R N -0.112 120.340 120.500 -0.081 0.000 2.127 320 R HA 0.010 4.351 4.340 0.001 0.000 0.217 320 R C 1.138 177.367 176.300 -0.120 0.000 1.074 320 R CA 0.687 56.679 56.100 -0.180 0.000 0.991 320 R CB -0.773 29.509 30.300 -0.031 0.000 0.895 320 R HN 0.170 nan 8.270 nan 0.000 0.450 321 S N 1.360 117.029 115.700 -0.052 0.000 3.129 321 S HA -0.110 4.360 4.470 0.001 0.000 0.371 321 S C 1.074 175.659 174.600 -0.024 0.000 1.196 321 S CA 0.366 58.550 58.200 -0.025 0.000 0.989 321 S CB 0.313 63.509 63.200 -0.008 0.000 0.695 321 S HN 0.477 nan 8.310 nan 0.000 0.499 322 S N 2.641 118.340 115.700 -0.003 0.000 2.559 322 S HA 0.284 4.755 4.470 0.001 0.000 0.226 322 S C 0.832 175.462 174.600 0.049 0.000 1.000 322 S CA 0.207 58.419 58.200 0.020 0.000 0.948 322 S CB -0.047 63.158 63.200 0.007 0.000 0.870 322 S HN 1.044 nan 8.310 nan 0.000 0.497 323 R N 3.528 124.049 120.500 0.035 0.000 2.504 323 R HA 0.412 4.753 4.340 0.001 0.000 0.291 323 R C -2.320 174.025 176.300 0.075 0.000 0.974 323 R CA -0.773 55.351 56.100 0.041 0.000 1.077 323 R CB -1.652 28.661 30.300 0.021 0.000 0.926 323 R HN 0.500 nan 8.270 nan 0.000 0.407 324 P HA 0.258 nan 4.420 nan 0.000 0.270 324 P C -0.761 176.611 177.300 0.120 0.000 1.223 324 P CA -0.254 62.982 63.100 0.226 0.000 0.785 324 P CB 0.598 32.402 31.700 0.173 0.000 0.923 325 L N 1.571 122.840 121.223 0.076 0.000 2.342 325 L HA 0.518 4.859 4.340 0.001 0.000 0.271 325 L C 0.884 177.684 176.870 -0.117 0.000 1.008 325 L CA -1.054 53.706 54.840 -0.134 0.000 0.818 325 L CB 1.570 43.420 42.059 -0.347 0.000 1.296 325 L HN 0.187 nan 8.230 nan 0.000 0.427 326 R N 1.785 122.194 120.500 -0.151 0.000 2.234 326 R HA 0.462 4.803 4.340 0.001 0.000 0.324 326 R C -1.154 174.967 176.300 -0.299 0.000 1.054 326 R CA -0.521 55.474 56.100 -0.175 0.000 0.912 326 R CB 1.047 31.248 30.300 -0.165 0.000 1.030 326 R HN 0.294 nan 8.270 nan 0.000 0.455 327 V N 2.732 122.489 119.914 -0.261 0.000 2.376 327 V HA 0.307 4.428 4.120 0.001 0.000 0.287 327 V C 0.759 176.731 176.094 -0.205 0.000 1.015 327 V CA -0.922 61.176 62.300 -0.338 0.000 0.834 327 V CB 1.607 33.250 31.823 -0.301 0.000 1.001 327 V HN 0.956 nan 8.190 nan 0.000 0.428 328 G N 3.757 112.360 108.800 -0.328 0.000 2.527 328 G HA2 0.463 4.424 3.960 0.001 0.000 0.248 328 G HA3 0.463 4.424 3.960 0.001 0.000 0.248 328 G C -0.958 173.996 174.900 0.089 0.000 1.231 328 G CA 0.010 45.004 45.100 -0.177 0.000 0.838 328 G HN 1.078 nan 8.290 nan 0.000 0.570 329 Y N 0.353 120.701 120.300 0.080 0.000 2.521 329 Y HA 0.631 5.182 4.550 0.001 0.000 0.332 329 Y C -1.563 174.493 175.900 0.260 0.000 1.121 329 Y CA -1.939 56.213 58.100 0.085 0.000 1.037 329 Y CB 1.160 39.648 38.460 0.047 0.000 1.330 329 Y HN 0.892 nan 8.280 nan 0.000 0.452 330 Y N 0.453 120.787 120.300 0.056 0.000 2.571 330 Y HA 0.643 5.194 4.550 0.001 0.000 0.341 330 Y C -0.366 175.640 175.900 0.178 0.000 1.076 330 Y CA -1.242 56.843 58.100 -0.025 0.000 1.029 330 Y CB 1.948 40.431 38.460 0.038 0.000 1.308 330 Y HN 0.688 nan 8.280 nan 0.000 0.461 331 E N 0.341 120.755 120.200 0.357 0.000 2.460 331 E HA 0.151 4.502 4.350 0.001 0.000 0.200 331 E C -0.155 176.678 176.600 0.388 0.000 1.011 331 E CA 0.634 57.224 56.400 0.315 0.000 0.912 331 E CB 0.994 30.854 29.700 0.268 0.000 0.953 331 E HN 0.643 nan 8.360 nan 0.000 0.494 332 T N 0.175 115.042 114.554 0.522 0.000 2.886 332 T HA 0.086 4.437 4.350 0.001 0.000 0.330 332 T C -1.321 173.654 174.700 0.458 0.000 1.488 332 T CA -0.726 61.729 62.100 0.592 0.000 1.054 332 T CB 1.422 70.583 68.868 0.488 0.000 1.348 332 T HN -0.007 nan 8.240 nan 0.000 0.489 333 D N 1.511 122.093 120.400 0.303 0.000 2.328 333 D HA 0.135 4.776 4.640 0.001 0.000 0.221 333 D C 0.418 176.691 176.300 -0.045 0.000 1.072 333 D CA -0.201 53.762 54.000 -0.062 0.000 0.850 333 D CB -0.918 39.717 40.800 -0.275 0.000 0.922 333 D HN 0.779 nan 8.370 nan 0.000 0.516 334 N N -1.273 117.423 118.700 -0.006 0.000 2.727 334 N HA -0.312 4.429 4.740 0.001 0.000 0.249 334 N C -0.681 174.689 175.510 -0.234 0.000 1.048 334 N CA 0.836 53.671 53.050 -0.359 0.000 0.714 334 N CB -1.512 36.755 38.487 -0.367 0.000 0.959 334 N HN 0.434 nan 8.380 nan 0.000 0.544 335 Y N -1.280 119.063 120.300 0.072 0.000 3.261 335 Y HA 0.240 4.791 4.550 0.001 0.000 0.157 335 Y C 0.323 176.575 175.900 0.586 0.000 0.889 335 Y CA 0.311 58.614 58.100 0.340 0.000 1.869 335 Y CB 0.493 38.996 38.460 0.072 0.000 1.379 335 Y HN -0.014 nan 8.280 nan 0.000 0.306 336 T N 4.319 119.255 114.554 0.635 0.000 2.729 336 T HA 0.239 4.590 4.350 0.001 0.000 0.296 336 T C -0.125 174.961 174.700 0.644 0.000 0.928 336 T CA -0.242 62.208 62.100 0.584 0.000 1.045 336 T CB 0.082 69.261 68.868 0.518 0.000 0.902 336 T HN 0.189 nan 8.240 nan 0.000 0.500 337 M N 5.715 125.573 119.600 0.431 0.000 2.238 337 M HA 0.188 4.668 4.480 0.001 0.000 0.350 337 M C -2.174 174.390 176.300 0.440 0.000 1.321 337 M CA -1.656 53.743 55.300 0.165 0.000 1.097 337 M CB 0.768 33.086 32.600 -0.470 0.000 1.713 337 M HN 0.256 nan 8.290 nan 0.000 0.455 338 P HA 0.112 nan 4.420 nan 0.000 0.274 338 P C -0.943 176.515 177.300 0.263 0.000 1.231 338 P CA -0.410 62.847 63.100 0.261 0.000 0.790 338 P CB 0.463 32.278 31.700 0.191 0.000 0.951 339 S N 2.758 118.527 115.700 0.114 0.000 2.579 339 S HA 0.153 4.624 4.470 0.001 0.000 0.275 339 S C -1.468 173.170 174.600 0.064 0.000 1.345 339 S CA -0.729 57.493 58.200 0.037 0.000 1.031 339 S CB -0.380 62.772 63.200 -0.079 0.000 0.892 339 S HN 0.331 nan 8.310 nan 0.000 0.529 340 P HA -0.221 nan 4.420 nan 0.000 0.216 340 P C 1.561 178.869 177.300 0.014 0.000 1.154 340 P CA 2.161 65.287 63.100 0.044 0.000 0.865 340 P CB -0.418 31.303 31.700 0.035 0.000 0.789 341 A N -0.846 121.965 122.820 -0.015 0.000 1.908 341 A HA -0.199 4.122 4.320 0.001 0.000 0.218 341 A C 2.430 179.997 177.584 -0.028 0.000 1.181 341 A CA 2.219 54.236 52.037 -0.033 0.000 0.627 341 A CB -1.461 17.500 19.000 -0.064 0.000 0.818 341 A HN 0.122 nan 8.150 nan 0.000 0.445 342 M N -1.614 117.971 119.600 -0.024 0.000 2.086 342 M HA -0.146 4.335 4.480 0.001 0.000 0.261 342 M C 2.377 178.676 176.300 -0.003 0.000 1.067 342 M CA 2.072 57.353 55.300 -0.030 0.000 1.116 342 M CB -0.160 32.411 32.600 -0.048 0.000 1.348 342 M HN 0.495 nan 8.290 nan 0.000 0.407 343 R N 0.009 120.528 120.500 0.031 0.000 2.081 343 R HA -0.123 4.218 4.340 0.001 0.000 0.235 343 R C 2.186 178.513 176.300 0.044 0.000 1.131 343 R CA 1.634 57.770 56.100 0.060 0.000 0.960 343 R CB -0.268 30.081 30.300 0.082 0.000 0.856 343 R HN 0.217 nan 8.270 nan 0.000 0.436 344 R N -0.341 120.173 120.500 0.024 0.000 2.092 344 R HA -0.035 4.306 4.340 0.001 0.000 0.231 344 R C 2.041 178.341 176.300 0.001 0.000 1.119 344 R CA 1.253 57.361 56.100 0.013 0.000 0.970 344 R CB -0.224 30.079 30.300 0.004 0.000 0.864 344 R HN 0.362 nan 8.270 nan 0.000 0.440 345 A N 1.460 124.275 122.820 -0.008 0.000 1.858 345 A HA -0.161 4.160 4.320 0.001 0.000 0.216 345 A C 2.078 179.656 177.584 -0.010 0.000 1.190 345 A CA 0.977 53.003 52.037 -0.018 0.000 0.617 345 A CB -0.741 18.241 19.000 -0.030 0.000 0.827 345 A HN 0.342 nan 8.150 nan 0.000 0.443 346 L N -0.032 121.193 121.223 0.003 0.000 1.994 346 L HA -0.158 4.183 4.340 0.001 0.000 0.208 346 L C 2.399 179.284 176.870 0.025 0.000 1.071 346 L CA 2.133 56.986 54.840 0.021 0.000 0.745 346 L CB -0.875 41.214 42.059 0.049 0.000 0.892 346 L HN 0.467 nan 8.230 nan 0.000 0.431 347 I N 0.196 120.785 120.570 0.032 0.000 2.163 347 I HA -0.356 3.815 4.170 0.001 0.000 0.243 347 I C 2.517 178.623 176.117 -0.018 0.000 1.085 347 I CA 1.537 62.845 61.300 0.013 0.000 1.347 347 I CB -0.162 37.857 38.000 0.032 0.000 1.044 347 I HN 0.358 nan 8.210 nan 0.000 0.408 348 E N -0.181 120.013 120.200 -0.011 0.000 2.051 348 E HA -0.254 4.097 4.350 0.001 0.000 0.192 348 E C 2.199 178.786 176.600 -0.023 0.000 0.991 348 E CA 1.977 58.367 56.400 -0.017 0.000 0.799 348 E CB -0.169 29.522 29.700 -0.014 0.000 0.748 348 E HN 0.505 nan 8.360 nan 0.000 0.449 349 T N 0.323 114.864 114.554 -0.023 0.000 2.867 349 T HA -0.147 4.203 4.350 0.001 0.000 0.268 349 T C 1.859 176.551 174.700 -0.013 0.000 1.057 349 T CA 1.148 63.234 62.100 -0.023 0.000 1.136 349 T CB -0.035 68.809 68.868 -0.040 0.000 0.874 349 T HN -0.049 nan 8.240 nan 0.000 0.466 350 K N 0.167 120.545 120.400 -0.036 0.000 2.097 350 K HA -0.158 4.163 4.320 0.001 0.000 0.206 350 K C 2.460 178.997 176.600 -0.105 0.000 1.049 350 K CA 1.676 57.900 56.287 -0.104 0.000 0.933 350 K CB -0.231 32.129 32.500 -0.233 0.000 0.717 350 K HN 0.480 nan 8.250 nan 0.000 0.442 351 Q N -0.067 119.688 119.800 -0.076 0.000 2.049 351 Q HA -0.035 4.306 4.340 0.001 0.000 0.198 351 Q C 2.208 178.187 176.000 -0.034 0.000 0.971 351 Q CA 1.170 56.939 55.803 -0.058 0.000 0.833 351 Q CB 0.142 28.855 28.738 -0.042 0.000 0.896 351 Q HN 0.180 nan 8.270 nan 0.000 0.434 352 R N 0.083 120.570 120.500 -0.021 0.000 2.091 352 R HA -0.135 4.206 4.340 0.001 0.000 0.238 352 R C 2.290 178.593 176.300 0.006 0.000 1.136 352 R CA 1.110 57.203 56.100 -0.011 0.000 0.959 352 R CB -0.600 29.694 30.300 -0.010 0.000 0.856 352 R HN 0.335 nan 8.270 nan 0.000 0.437 353 L N 0.555 121.806 121.223 0.046 0.000 2.083 353 L HA -0.163 4.177 4.340 0.001 0.000 0.209 353 L C 2.429 179.342 176.870 0.071 0.000 1.083 353 L CA 1.301 56.227 54.840 0.143 0.000 0.752 353 L CB -0.368 41.835 42.059 0.240 0.000 0.899 353 L HN 0.237 nan 8.230 nan 0.000 0.433 354 E N -0.021 120.186 120.200 0.012 0.000 2.077 354 E HA -0.222 4.129 4.350 0.001 0.000 0.193 354 E C 2.264 178.838 176.600 -0.044 0.000 0.989 354 E CA 1.108 57.496 56.400 -0.019 0.000 0.800 354 E CB -0.070 29.606 29.700 -0.041 0.000 0.746 354 E HN 0.498 nan 8.360 nan 0.000 0.452 355 A N 0.755 123.548 122.820 -0.044 0.000 2.015 355 A HA -0.009 4.312 4.320 0.001 0.000 0.219 355 A C 2.135 179.669 177.584 -0.082 0.000 1.163 355 A CA 1.335 53.341 52.037 -0.052 0.000 0.646 355 A CB -0.213 18.765 19.000 -0.037 0.000 0.806 355 A HN 0.275 nan 8.150 nan 0.000 0.448 356 A N -1.801 120.946 122.820 -0.121 0.000 2.238 356 A HA 0.426 4.747 4.320 0.001 0.000 0.208 356 A C 1.647 179.013 177.584 -0.363 0.000 1.177 356 A CA 1.114 53.020 52.037 -0.218 0.000 0.804 356 A CB -0.801 18.065 19.000 -0.224 0.000 0.823 356 A HN 1.799 nan 8.150 nan 0.000 0.482 357 G N -1.193 107.455 108.800 -0.253 0.000 2.141 357 G HA2 -0.217 3.743 3.960 0.001 0.000 0.231 357 G HA3 -0.217 3.743 3.960 0.001 0.000 0.231 357 G C -0.100 174.709 174.900 -0.152 0.000 0.984 357 G CA 0.212 45.201 45.100 -0.186 0.000 0.660 357 G HN 0.779 nan 8.290 nan 0.000 0.525 358 H N 0.603 119.671 119.070 -0.003 0.000 2.548 358 H HA 0.531 5.088 4.556 0.001 0.000 0.331 358 H C 0.731 176.045 175.328 -0.023 0.000 1.093 358 H CA 0.404 56.448 56.048 -0.008 0.000 1.367 358 H CB 1.366 31.140 29.762 0.019 0.000 1.455 358 H HN 0.211 nan 8.280 nan 0.000 0.519 359 T N 3.952 118.563 114.554 0.095 0.000 2.728 359 T HA 0.173 4.524 4.350 0.001 0.000 0.296 359 T C -0.323 174.387 174.700 0.016 0.000 0.940 359 T CA -0.932 61.188 62.100 0.033 0.000 1.013 359 T CB 0.061 68.938 68.868 0.015 0.000 0.912 359 T HN 0.285 nan 8.240 nan 0.000 0.484 360 L N 6.478 127.711 121.223 0.018 0.000 2.272 360 L HA 0.461 4.802 4.340 0.001 0.000 0.284 360 L C -0.169 176.801 176.870 0.168 0.000 1.045 360 L CA -0.447 54.409 54.840 0.026 0.000 0.842 360 L CB 0.537 42.521 42.059 -0.125 0.000 1.224 360 L HN 0.760 nan 8.230 nan 0.000 0.430 361 I N 5.778 126.462 120.570 0.190 0.000 2.331 361 I HA 0.287 4.458 4.170 0.001 0.000 0.292 361 I C -1.981 174.296 176.117 0.265 0.000 0.998 361 I CA -1.868 59.546 61.300 0.190 0.000 1.267 361 I CB 1.169 39.196 38.000 0.045 0.000 1.386 361 I HN 0.334 nan 8.210 nan 0.000 0.476 362 P HA 0.133 nan 4.420 nan 0.000 0.265 362 P C -1.031 176.313 177.300 0.073 0.000 1.193 362 P CA 0.226 63.239 63.100 -0.145 0.000 0.765 362 P CB 0.260 31.900 31.700 -0.100 0.000 0.823 363 F N 3.941 123.815 119.950 -0.126 0.000 2.654 363 F HA 0.546 5.074 4.527 0.001 0.000 0.314 363 F C -2.129 173.689 175.800 0.030 0.000 1.116 363 F CA -0.902 57.083 58.000 -0.026 0.000 1.017 363 F CB 1.287 40.280 39.000 -0.012 0.000 1.285 363 F HN 0.093 nan 8.300 nan 0.000 0.448 364 L N 7.426 128.293 121.223 -0.593 0.000 2.436 364 L HA 0.695 5.036 4.340 0.001 0.000 0.268 364 L C -2.621 173.811 176.870 -0.731 0.000 0.974 364 L CA -2.150 52.353 54.840 -0.562 0.000 0.826 364 L CB 2.157 43.960 42.059 -0.428 0.000 1.291 364 L HN 0.308 nan 8.230 nan 0.000 0.406 365 P HA 0.133 nan 4.420 nan 0.000 0.263 365 P C -1.133 176.042 177.300 -0.209 0.000 1.195 365 P CA 0.009 62.960 63.100 -0.249 0.000 0.762 365 P CB 0.005 31.675 31.700 -0.051 0.000 0.799 366 N N 2.325 120.921 118.700 -0.172 0.000 2.395 366 N HA -0.106 4.635 4.740 0.001 0.000 0.246 366 N C -0.186 175.380 175.510 0.093 0.000 1.246 366 N CA -0.165 52.841 53.050 -0.073 0.000 0.879 366 N CB -0.587 37.857 38.487 -0.072 0.000 1.098 366 N HN 0.294 nan 8.380 nan 0.000 0.444 367 N N -0.243 118.491 118.700 0.057 0.000 2.721 367 N HA -0.216 4.524 4.740 0.001 0.000 0.249 367 N C 0.205 175.767 175.510 0.086 0.000 1.072 367 N CA 0.701 53.815 53.050 0.106 0.000 0.710 367 N CB -1.064 37.515 38.487 0.154 0.000 0.993 367 N HN 0.588 nan 8.380 nan 0.000 0.547 368 I N 0.211 120.781 120.570 -0.001 0.000 2.113 368 I HA -0.258 3.913 4.170 0.001 0.000 0.242 368 I C -0.509 175.522 176.117 -0.142 0.000 1.064 368 I CA 1.749 62.985 61.300 -0.107 0.000 1.320 368 I CB -0.836 37.065 38.000 -0.165 0.000 1.028 368 I HN 0.233 nan 8.210 nan 0.000 0.406 369 P HA -0.222 nan 4.420 nan 0.000 0.216 369 P C 1.485 178.794 177.300 0.015 0.000 1.150 369 P CA 1.475 64.633 63.100 0.097 0.000 0.837 369 P CB -0.161 31.685 31.700 0.244 0.000 0.786 370 Y N 1.029 121.263 120.300 -0.110 0.000 2.114 370 Y HA -0.158 4.393 4.550 0.001 0.000 0.284 370 Y C 2.414 178.149 175.900 -0.275 0.000 1.143 370 Y CA 1.857 59.866 58.100 -0.152 0.000 1.135 370 Y CB -1.132 37.245 38.460 -0.138 0.000 0.980 370 Y HN -0.106 nan 8.280 nan 0.000 0.499 371 A N 0.395 122.869 122.820 -0.576 0.000 1.972 371 A HA -0.111 4.210 4.320 0.001 0.000 0.219 371 A C 2.281 179.527 177.584 -0.564 0.000 1.169 371 A CA 1.766 53.318 52.037 -0.807 0.000 0.635 371 A CB -1.061 17.298 19.000 -1.069 0.000 0.810 371 A HN 0.578 nan 8.150 nan 0.000 0.446 372 L N -1.071 119.874 121.223 -0.465 0.000 2.023 372 L HA -0.152 4.189 4.340 0.001 0.000 0.205 372 L C 2.603 179.291 176.870 -0.303 0.000 1.073 372 L CA 1.666 56.248 54.840 -0.430 0.000 0.745 372 L CB -0.683 40.994 42.059 -0.636 0.000 0.900 372 L HN 0.437 nan 8.230 nan 0.000 0.435 373 E N -0.129 119.932 120.200 -0.231 0.000 2.033 373 E HA -0.170 4.181 4.350 0.001 0.000 0.189 373 E C 2.189 178.698 176.600 -0.151 0.000 0.979 373 E CA 1.340 57.685 56.400 -0.092 0.000 0.802 373 E CB -0.137 29.579 29.700 0.025 0.000 0.763 373 E HN 0.339 nan 8.360 nan 0.000 0.449 374 V N 0.401 120.136 119.914 -0.298 0.000 2.535 374 V HA -0.047 4.074 4.120 0.001 0.000 0.246 374 V C 1.748 177.618 176.094 -0.374 0.000 1.045 374 V CA 1.089 63.190 62.300 -0.332 0.000 1.058 374 V CB -0.173 31.480 31.823 -0.284 0.000 0.689 374 V HN 0.184 nan 8.190 nan 0.000 0.461 375 L N -0.088 120.827 121.223 -0.514 0.000 2.221 375 L HA 0.090 4.430 4.340 0.001 0.000 0.202 375 L C 2.704 179.401 176.870 -0.289 0.000 1.074 375 L CA 1.283 55.877 54.840 -0.409 0.000 0.795 375 L CB -0.668 41.080 42.059 -0.518 0.000 0.960 375 L HN 0.311 nan 8.230 nan 0.000 0.458 376 S N 0.646 116.163 115.700 -0.305 0.000 2.336 376 S HA -0.021 4.449 4.470 0.001 0.000 0.216 376 S C 2.136 176.600 174.600 -0.226 0.000 1.032 376 S CA 1.081 59.127 58.200 -0.256 0.000 0.973 376 S CB -0.223 62.813 63.200 -0.274 0.000 0.888 376 S HN 0.403 nan 8.310 nan 0.000 0.455 377 A N 1.385 124.096 122.820 -0.181 0.000 2.014 377 A HA 0.195 4.516 4.320 0.001 0.000 0.218 377 A C 2.203 179.731 177.584 -0.094 0.000 1.163 377 A CA 1.484 53.447 52.037 -0.122 0.000 0.652 377 A CB -1.173 17.863 19.000 0.060 0.000 0.808 377 A HN 0.506 nan 8.150 nan 0.000 0.449 378 G N -0.406 108.336 108.800 -0.096 0.000 2.394 378 G HA2 0.081 4.042 3.960 0.001 0.000 0.215 378 G HA3 0.081 4.042 3.960 0.001 0.000 0.215 378 G C 1.482 176.342 174.900 -0.067 0.000 1.165 378 G CA 1.104 46.167 45.100 -0.060 0.000 0.784 378 G HN 0.631 nan 8.290 nan 0.000 0.535 379 G N 0.552 109.284 108.800 -0.114 0.000 2.421 379 G HA2 -0.065 3.896 3.960 0.001 0.000 0.217 379 G HA3 -0.065 3.896 3.960 0.001 0.000 0.217 379 G C 1.696 176.515 174.900 -0.134 0.000 1.143 379 G CA 0.318 45.358 45.100 -0.099 0.000 0.784 379 G HN 0.379 nan 8.290 nan 0.000 0.541 380 L N -0.841 120.231 121.223 -0.252 0.000 2.217 380 L HA 0.175 4.516 4.340 0.001 0.000 0.211 380 L C 1.047 177.638 176.870 -0.465 0.000 1.107 380 L CA 0.737 55.315 54.840 -0.437 0.000 0.783 380 L CB -0.078 41.567 42.059 -0.690 0.000 0.919 380 L HN 0.145 nan 8.230 nan 0.000 0.442 381 F N -1.320 118.577 119.950 -0.088 0.000 2.850 381 F HA 0.197 4.725 4.527 0.001 0.000 0.329 381 F C 1.870 177.633 175.800 -0.061 0.000 1.182 381 F CA -0.625 57.321 58.000 -0.091 0.000 1.270 381 F CB -0.412 38.510 39.000 -0.130 0.000 0.979 381 F HN -0.144 nan 8.300 nan 0.000 0.506 382 S N -0.197 115.568 115.700 0.107 0.000 2.419 382 S HA -0.204 4.266 4.470 0.001 0.000 0.235 382 S C 1.725 176.364 174.600 0.065 0.000 1.019 382 S CA 1.627 59.867 58.200 0.067 0.000 0.982 382 S CB -0.218 63.009 63.200 0.045 0.000 0.789 382 S HN 0.607 nan 8.310 nan 0.000 0.490 383 D N 0.381 120.834 120.400 0.088 0.000 2.349 383 D HA 0.152 4.793 4.640 0.001 0.000 0.214 383 D C 1.223 177.553 176.300 0.050 0.000 1.063 383 D CA 0.674 54.715 54.000 0.069 0.000 0.847 383 D CB -0.341 40.508 40.800 0.083 0.000 0.933 383 D HN 0.405 nan 8.370 nan 0.000 0.513 384 G N 0.301 109.127 108.800 0.043 0.000 2.148 384 G HA2 -0.211 3.749 3.960 0.001 0.000 0.254 384 G HA3 -0.211 3.749 3.960 0.001 0.000 0.254 384 G C 1.142 175.968 174.900 -0.123 0.000 0.981 384 G CA 0.401 45.468 45.100 -0.056 0.000 0.670 384 G HN 1.334 nan 8.290 nan 0.000 0.528 385 G N -2.019 106.785 108.800 0.006 0.000 2.160 385 G HA2 0.084 4.045 3.960 0.001 0.000 0.251 385 G HA3 0.084 4.045 3.960 0.001 0.000 0.251 385 G C 1.259 176.237 174.900 0.130 0.000 1.008 385 G CA 1.625 46.769 45.100 0.073 0.000 0.724 385 G HN 1.982 nan 8.290 nan 0.000 0.514 386 R N 0.358 120.912 120.500 0.090 0.000 2.070 386 R HA 0.103 4.444 4.340 0.001 0.000 0.232 386 R C 2.914 179.282 176.300 0.113 0.000 1.138 386 R CA 2.646 58.792 56.100 0.077 0.000 0.936 386 R CB -1.564 28.766 30.300 0.049 0.000 0.839 386 R HN 1.070 nan 8.270 nan 0.000 0.429 387 S N 0.494 116.276 115.700 0.137 0.000 2.380 387 S HA -0.193 4.278 4.470 0.001 0.000 0.229 387 S C 1.888 176.604 174.600 0.192 0.000 1.043 387 S CA 1.456 59.746 58.200 0.150 0.000 1.038 387 S CB -0.615 62.678 63.200 0.155 0.000 0.872 387 S HN 0.568 nan 8.310 nan 0.000 0.456 388 F N 1.896 121.915 119.950 0.114 0.000 2.216 388 F HA 0.044 4.571 4.527 0.001 0.000 0.300 388 F C 1.756 177.694 175.800 0.230 0.000 1.085 388 F CA 0.935 59.035 58.000 0.167 0.000 1.326 388 F CB -0.236 38.880 39.000 0.194 0.000 1.027 388 F HN 0.100 nan 8.300 nan 0.000 0.497 389 L N -0.800 120.505 121.223 0.135 0.000 2.307 389 L HA -0.089 4.252 4.340 0.001 0.000 0.211 389 L C 2.262 179.182 176.870 0.083 0.000 1.099 389 L CA 0.483 55.371 54.840 0.081 0.000 0.816 389 L CB -0.563 41.524 42.059 0.047 0.000 0.952 389 L HN 0.055 nan 8.230 nan 0.000 0.455 390 Q N 0.697 120.527 119.800 0.051 0.000 2.197 390 Q HA -0.234 4.107 4.340 0.001 0.000 0.207 390 Q C 1.631 177.615 176.000 -0.027 0.000 0.984 390 Q CA 1.789 57.604 55.803 0.019 0.000 0.869 390 Q CB -0.202 28.553 28.738 0.028 0.000 0.906 390 Q HN 0.501 nan 8.270 nan 0.000 0.426 391 N N -1.563 117.092 118.700 -0.076 0.000 2.512 391 N HA -0.055 4.685 4.740 0.001 0.000 0.183 391 N C 0.142 175.392 175.510 -0.434 0.000 1.073 391 N CA 0.638 53.532 53.050 -0.261 0.000 0.911 391 N CB 0.127 38.374 38.487 -0.399 0.000 0.964 391 N HN 0.195 nan 8.380 nan 0.000 0.447 392 F N 0.393 120.236 119.950 -0.178 0.000 2.678 392 F HA 0.262 4.790 4.527 0.001 0.000 0.305 392 F C 0.586 176.315 175.800 -0.118 0.000 1.090 392 F CA -0.467 57.442 58.000 -0.150 0.000 1.272 392 F CB 0.387 39.287 39.000 -0.167 0.000 1.060 392 F HN -0.259 nan 8.300 nan 0.000 0.576 393 K N 0.851 121.254 120.400 0.005 0.000 2.361 393 K HA 0.231 4.552 4.320 0.001 0.000 0.283 393 K C 1.220 177.780 176.600 -0.068 0.000 1.078 393 K CA 0.912 57.184 56.287 -0.024 0.000 1.041 393 K CB -0.227 32.256 32.500 -0.028 0.000 0.932 393 K HN 0.413 nan 8.250 nan 0.000 0.462 394 G N 2.947 111.696 108.800 -0.085 0.000 2.168 394 G HA2 -0.262 3.698 3.960 0.001 0.000 0.263 394 G HA3 -0.262 3.698 3.960 0.001 0.000 0.263 394 G C 0.028 174.788 174.900 -0.233 0.000 0.977 394 G CA 0.252 45.262 45.100 -0.149 0.000 0.659 394 G HN 0.677 nan 8.290 nan 0.000 0.533 395 D N -0.493 119.803 120.400 -0.173 0.000 2.329 395 D HA 0.487 5.128 4.640 0.001 0.000 0.246 395 D C 0.721 176.901 176.300 -0.201 0.000 1.111 395 D CA -0.358 53.533 54.000 -0.180 0.000 0.941 395 D CB 0.349 41.080 40.800 -0.115 0.000 1.169 395 D HN 0.042 nan 8.370 nan 0.000 0.441 396 F N 0.369 120.330 119.950 0.019 0.000 2.459 396 F HA 0.086 4.614 4.527 0.001 0.000 0.346 396 F C 0.871 176.733 175.800 0.104 0.000 1.128 396 F CA -0.589 57.436 58.000 0.041 0.000 1.268 396 F CB 0.755 39.764 39.000 0.014 0.000 1.161 396 F HN -0.038 nan 8.300 nan 0.000 0.583 397 V N 0.431 120.525 119.914 0.301 0.000 2.439 397 V HA 0.318 4.439 4.120 0.001 0.000 0.282 397 V C -0.179 176.034 176.094 0.198 0.000 1.039 397 V CA -0.943 61.512 62.300 0.258 0.000 0.913 397 V CB 1.409 33.318 31.823 0.145 0.000 0.983 397 V HN 0.707 nan 8.190 nan 0.000 0.460 398 D N 6.469 126.979 120.400 0.182 0.000 2.390 398 D HA 0.252 4.893 4.640 0.001 0.000 0.249 398 D C -1.356 174.992 176.300 0.079 0.000 1.144 398 D CA -1.487 52.580 54.000 0.112 0.000 0.880 398 D CB 2.209 43.073 40.800 0.106 0.000 1.182 398 D HN 0.513 nan 8.370 nan 0.000 0.451 399 P HA -0.155 nan 4.420 nan 0.000 0.221 399 P C 1.563 178.873 177.300 0.016 0.000 1.141 399 P CA 0.751 63.867 63.100 0.027 0.000 0.794 399 P CB -0.235 31.472 31.700 0.011 0.000 0.764 400 C N -2.740 116.571 119.300 0.018 0.000 2.514 400 C HA 0.171 4.632 4.460 0.001 0.000 0.271 400 C C 2.175 177.165 174.990 0.000 0.000 1.399 400 C CA -0.166 58.847 59.018 -0.007 0.000 1.765 400 C CB -2.089 25.644 27.740 -0.012 0.000 1.893 400 C HN 0.009 nan 8.230 nan 0.000 0.531 401 L N 1.701 122.951 121.223 0.044 0.000 2.567 401 L HA 0.381 4.722 4.340 0.001 0.000 0.225 401 L C 1.991 178.890 176.870 0.047 0.000 1.119 401 L CA 1.579 56.457 54.840 0.063 0.000 0.871 401 L CB -0.823 41.303 42.059 0.110 0.000 1.036 401 L HN 0.722 nan 8.230 nan 0.000 0.459 402 G N 0.038 108.858 108.800 0.033 0.000 2.556 402 G HA2 -0.358 3.603 3.960 0.001 0.000 0.283 402 G HA3 -0.358 3.603 3.960 0.001 0.000 0.283 402 G C 0.382 175.305 174.900 0.038 0.000 1.177 402 G CA 0.362 45.483 45.100 0.035 0.000 0.978 402 G HN 0.246 nan 8.290 nan 0.000 0.554 403 D N 0.700 121.133 120.400 0.055 0.000 2.388 403 D HA 0.258 4.899 4.640 0.001 0.000 0.221 403 D C 2.088 178.415 176.300 0.044 0.000 1.133 403 D CA -0.052 53.974 54.000 0.044 0.000 0.831 403 D CB 0.623 41.453 40.800 0.050 0.000 0.962 403 D HN 0.264 nan 8.370 nan 0.000 0.502 404 L N 0.615 121.874 121.223 0.060 0.000 2.201 404 L HA -0.070 4.271 4.340 0.001 0.000 0.212 404 L C 1.596 178.441 176.870 -0.041 0.000 1.105 404 L CA 1.252 56.131 54.840 0.066 0.000 0.775 404 L CB -0.155 41.986 42.059 0.136 0.000 0.913 404 L HN -0.075 nan 8.230 nan 0.000 0.440 405 I N -0.971 119.541 120.570 -0.096 0.000 2.233 405 I HA -0.205 3.966 4.170 0.001 0.000 0.243 405 I C 2.452 178.483 176.117 -0.143 0.000 1.093 405 I CA 1.087 62.268 61.300 -0.198 0.000 1.380 405 I CB -1.257 36.531 38.000 -0.353 0.000 1.067 405 I HN 0.306 nan 8.210 nan 0.000 0.413 406 L N 1.071 122.237 121.223 -0.094 0.000 2.042 406 L HA -0.175 4.166 4.340 0.001 0.000 0.210 406 L C 2.402 179.220 176.870 -0.087 0.000 1.076 406 L CA 1.805 56.599 54.840 -0.077 0.000 0.749 406 L CB -0.376 41.655 42.059 -0.045 0.000 0.893 406 L HN 0.075 nan 8.230 nan 0.000 0.432 407 I N -1.080 119.442 120.570 -0.080 0.000 2.315 407 I HA -0.292 3.879 4.170 0.001 0.000 0.248 407 I C 2.231 178.235 176.117 -0.189 0.000 1.117 407 I CA 1.093 62.331 61.300 -0.103 0.000 1.404 407 I CB -0.201 37.759 38.000 -0.067 0.000 1.071 407 I HN 0.262 nan 8.210 nan 0.000 0.419 408 L N -0.044 121.045 121.223 -0.224 0.000 2.217 408 L HA -0.107 4.233 4.340 0.001 0.000 0.211 408 L C 2.335 179.092 176.870 -0.188 0.000 1.107 408 L CA 1.012 55.688 54.840 -0.273 0.000 0.783 408 L CB -0.311 41.572 42.059 -0.294 0.000 0.919 408 L HN 0.145 nan 8.230 nan 0.000 0.442 409 R N -0.589 119.822 120.500 -0.149 0.000 2.310 409 R HA 0.151 4.492 4.340 0.001 0.000 0.202 409 R C 0.364 176.585 176.300 -0.132 0.000 0.933 409 R CA -0.160 55.867 56.100 -0.120 0.000 1.054 409 R CB 0.140 30.378 30.300 -0.103 0.000 0.985 409 R HN 0.232 nan 8.270 nan 0.000 0.489 410 L N 2.919 124.052 121.223 -0.150 0.000 2.461 410 L HA 0.131 4.471 4.340 0.001 0.000 0.272 410 L C -1.789 174.958 176.870 -0.206 0.000 1.197 410 L CA -1.699 53.034 54.840 -0.178 0.000 0.836 410 L CB 0.098 42.100 42.059 -0.095 0.000 1.105 410 L HN -0.092 nan 8.230 nan 0.000 0.477 411 P HA 0.113 nan 4.420 nan 0.000 0.274 411 P C 0.288 177.418 177.300 -0.283 0.000 1.246 411 P CA -0.428 62.494 63.100 -0.298 0.000 0.795 411 P CB 0.914 32.337 31.700 -0.461 0.000 1.006 412 S N 0.389 116.015 115.700 -0.123 0.000 2.365 412 S HA -0.136 4.335 4.470 0.001 0.000 0.225 412 S C 1.666 176.259 174.600 -0.011 0.000 1.039 412 S CA 1.534 59.706 58.200 -0.048 0.000 1.033 412 S CB -0.834 62.384 63.200 0.031 0.000 0.887 412 S HN 0.711 nan 8.310 nan 0.000 0.447 413 W N 0.198 121.526 121.300 0.047 0.000 2.342 413 W HA -0.146 4.514 4.660 0.001 0.000 0.297 413 W C 1.833 178.410 176.519 0.097 0.000 1.213 413 W CA 0.665 58.045 57.345 0.059 0.000 1.251 413 W CB -1.046 28.451 29.460 0.062 0.000 1.136 413 W HN 0.326 nan 8.180 nan 0.000 0.526 414 F N 2.275 121.775 119.950 -0.750 0.000 2.270 414 F HA 0.086 4.614 4.527 0.001 0.000 0.295 414 F C 2.548 178.151 175.800 -0.328 0.000 1.087 414 F CA 1.632 59.211 58.000 -0.701 0.000 1.365 414 F CB -0.404 37.870 39.000 -1.210 0.000 1.056 414 F HN -0.325 nan 8.300 nan 0.000 0.506 415 K N 0.299 120.559 120.400 -0.234 0.000 2.032 415 K HA -0.226 4.094 4.320 0.001 0.000 0.209 415 K C 2.496 178.982 176.600 -0.190 0.000 1.048 415 K CA 2.333 58.492 56.287 -0.214 0.000 0.927 415 K CB -0.401 32.000 32.500 -0.165 0.000 0.712 415 K HN 0.238 nan 8.250 nan 0.000 0.441 416 R N 0.899 121.329 120.500 -0.116 0.000 2.092 416 R HA -0.048 4.292 4.340 0.001 0.000 0.231 416 R C 2.109 178.366 176.300 -0.071 0.000 1.119 416 R CA 1.712 57.776 56.100 -0.060 0.000 0.970 416 R CB -1.374 28.928 30.300 0.004 0.000 0.864 416 R HN 0.266 nan 8.270 nan 0.000 0.440 417 L N 0.138 121.305 121.223 -0.094 0.000 2.005 417 L HA 0.059 4.400 4.340 0.001 0.000 0.207 417 L C 2.438 179.188 176.870 -0.200 0.000 1.072 417 L CA 1.652 56.429 54.840 -0.105 0.000 0.744 417 L CB -0.427 41.601 42.059 -0.051 0.000 0.895 417 L HN 0.367 nan 8.230 nan 0.000 0.433 418 L N -0.904 120.090 121.223 -0.382 0.000 2.043 418 L HA -0.275 4.066 4.340 0.001 0.000 0.212 418 L C 2.693 179.453 176.870 -0.183 0.000 1.075 418 L CA 1.602 56.224 54.840 -0.363 0.000 0.752 418 L CB -0.610 41.147 42.059 -0.503 0.000 0.891 418 L HN 0.458 nan 8.230 nan 0.000 0.432 419 S N 0.258 115.871 115.700 -0.144 0.000 2.378 419 S HA -0.183 4.288 4.470 0.001 0.000 0.221 419 S C 1.773 176.348 174.600 -0.043 0.000 1.037 419 S CA 1.811 59.968 58.200 -0.073 0.000 1.069 419 S CB -0.286 62.880 63.200 -0.057 0.000 1.006 419 S HN 0.458 nan 8.310 nan 0.000 0.423 420 L N 0.332 121.532 121.223 -0.039 0.000 2.551 420 L HA 0.182 4.523 4.340 0.001 0.000 0.228 420 L C 2.165 179.025 176.870 -0.017 0.000 1.153 420 L CA 1.038 55.867 54.840 -0.018 0.000 0.851 420 L CB -1.226 40.827 42.059 -0.009 0.000 0.959 420 L HN 0.310 nan 8.230 nan 0.000 0.451 421 L N -0.043 121.159 121.223 -0.035 0.000 2.093 421 L HA -0.140 4.200 4.340 0.001 0.000 0.208 421 L C 2.353 179.227 176.870 0.006 0.000 1.085 421 L CA 0.994 55.820 54.840 -0.024 0.000 0.755 421 L CB -0.030 41.995 42.059 -0.056 0.000 0.904 421 L HN 0.231 nan 8.230 nan 0.000 0.435 422 L N -0.451 120.778 121.223 0.010 0.000 2.354 422 L HA -0.007 4.334 4.340 0.001 0.000 0.212 422 L C 2.858 179.772 176.870 0.073 0.000 1.091 422 L CA 1.669 56.553 54.840 0.073 0.000 0.828 422 L CB -1.364 40.725 42.059 0.051 0.000 0.973 422 L HN 0.141 nan 8.230 nan 0.000 0.461 423 K N 0.973 121.393 120.400 0.032 0.000 2.113 423 K HA -0.159 4.162 4.320 0.001 0.000 0.208 423 K C 0.061 176.665 176.600 0.007 0.000 1.047 423 K CA 1.896 58.198 56.287 0.025 0.000 0.928 423 K CB -2.512 29.999 32.500 0.018 0.000 0.716 423 K HN 0.457 nan 8.250 nan 0.000 0.446 424 P HA -0.126 nan 4.420 nan 0.000 0.215 424 P C 1.079 178.329 177.300 -0.084 0.000 1.153 424 P CA 0.854 63.933 63.100 -0.035 0.000 0.853 424 P CB 0.082 31.763 31.700 -0.032 0.000 0.788 425 L N -2.462 118.690 121.223 -0.120 0.000 2.269 425 L HA 0.163 4.504 4.340 0.001 0.000 0.200 425 L C 1.274 177.864 176.870 -0.467 0.000 1.069 425 L CA 1.185 55.816 54.840 -0.349 0.000 0.804 425 L CB -1.232 40.558 42.059 -0.450 0.000 0.987 425 L HN -0.114 nan 8.230 nan 0.000 0.468 426 F N 1.193 121.120 119.950 -0.038 0.000 2.531 426 F HA 0.306 4.834 4.527 0.001 0.000 0.333 426 F C -1.480 174.264 175.800 -0.093 0.000 1.292 426 F CA -1.234 56.722 58.000 -0.073 0.000 1.184 426 F CB 0.829 39.757 39.000 -0.120 0.000 1.426 426 F HN -0.065 nan 8.300 nan 0.000 0.559 427 P HA -0.098 nan 4.420 nan 0.000 0.222 427 P C 1.374 178.670 177.300 -0.007 0.000 1.153 427 P CA 1.145 64.274 63.100 0.048 0.000 0.798 427 P CB 0.284 32.037 31.700 0.088 0.000 0.796 428 R N -0.892 119.528 120.500 -0.135 0.000 2.090 428 R HA 0.005 4.346 4.340 0.001 0.000 0.228 428 R C 2.191 178.414 176.300 -0.128 0.000 1.110 428 R CA 0.879 56.860 56.100 -0.198 0.000 0.973 428 R CB -0.732 29.269 30.300 -0.499 0.000 0.869 428 R HN 0.188 nan 8.270 nan 0.000 0.440 429 L N 0.186 121.259 121.223 -0.250 0.000 2.131 429 L HA 0.029 4.370 4.340 0.001 0.000 0.206 429 L C 2.422 179.316 176.870 0.039 0.000 1.087 429 L CA 1.518 56.246 54.840 -0.187 0.000 0.767 429 L CB -0.784 41.086 42.059 -0.315 0.000 0.917 429 L HN 0.100 nan 8.230 nan 0.000 0.441 430 A N -0.599 122.230 122.820 0.015 0.000 1.972 430 A HA -0.119 4.202 4.320 0.001 0.000 0.219 430 A C 2.438 180.059 177.584 0.061 0.000 1.169 430 A CA 1.646 53.701 52.037 0.030 0.000 0.635 430 A CB -0.743 18.272 19.000 0.025 0.000 0.810 430 A HN 0.364 nan 8.150 nan 0.000 0.446 431 A N -1.623 121.254 122.820 0.095 0.000 2.014 431 A HA 0.067 4.388 4.320 0.001 0.000 0.218 431 A C 2.016 179.727 177.584 0.210 0.000 1.163 431 A CA 1.129 53.242 52.037 0.126 0.000 0.652 431 A CB -0.591 18.487 19.000 0.130 0.000 0.808 431 A HN 0.640 nan 8.150 nan 0.000 0.449 432 F N 0.307 120.310 119.950 0.088 0.000 2.146 432 F HA -0.097 4.431 4.527 0.001 0.000 0.298 432 F C 1.785 177.639 175.800 0.090 0.000 1.096 432 F CA 1.360 59.453 58.000 0.155 0.000 1.275 432 F CB 0.034 39.193 39.000 0.265 0.000 1.008 432 F HN 0.153 nan 8.300 nan 0.000 0.480 433 L N -0.054 121.162 121.223 -0.011 0.000 2.179 433 L HA -0.162 4.179 4.340 0.001 0.000 0.208 433 L C 2.252 179.054 176.870 -0.113 0.000 1.096 433 L CA 1.002 55.741 54.840 -0.170 0.000 0.779 433 L CB -0.990 40.993 42.059 -0.126 0.000 0.922 433 L HN 0.248 nan 8.230 nan 0.000 0.443 434 N N 0.362 119.041 118.700 -0.035 0.000 2.188 434 N HA -0.194 4.547 4.740 0.001 0.000 0.184 434 N C 2.016 177.518 175.510 -0.013 0.000 1.018 434 N CA 1.610 54.648 53.050 -0.021 0.000 0.858 434 N CB 0.170 38.661 38.487 0.007 0.000 0.989 434 N HN 0.413 nan 8.380 nan 0.000 0.426 435 S N 0.585 116.291 115.700 0.009 0.000 2.382 435 S HA -0.083 4.388 4.470 0.001 0.000 0.228 435 S C 1.916 176.534 174.600 0.030 0.000 1.027 435 S CA 0.699 58.918 58.200 0.032 0.000 0.991 435 S CB -0.447 62.802 63.200 0.082 0.000 0.823 435 S HN 0.315 nan 8.310 nan 0.000 0.469 436 M N 1.854 121.418 119.600 -0.061 0.000 2.748 436 M HA 0.093 4.574 4.480 0.001 0.000 0.241 436 M C 1.064 177.286 176.300 -0.129 0.000 1.080 436 M CA 0.267 55.466 55.300 -0.168 0.000 1.068 436 M CB -0.260 32.095 32.600 -0.408 0.000 1.536 436 M HN 0.285 nan 8.290 nan 0.000 0.540 437 R N 2.194 122.655 120.500 -0.065 0.000 2.340 437 R HA 0.290 4.631 4.340 0.001 0.000 0.300 437 R C -2.906 173.382 176.300 -0.021 0.000 1.069 437 R CA -1.518 54.553 56.100 -0.048 0.000 0.984 437 R CB 0.190 30.471 30.300 -0.032 0.000 1.003 437 R HN -0.076 nan 8.270 nan 0.000 0.459 438 P HA 0.111 nan 4.420 nan 0.000 0.266 438 P C -0.764 176.536 177.300 -0.000 0.000 1.195 438 P CA 0.191 63.288 63.100 -0.005 0.000 0.768 438 P CB 0.484 32.180 31.700 -0.006 0.000 0.838 439 R N 0.661 121.163 120.500 0.003 0.000 2.837 439 R HA 0.541 4.882 4.340 0.001 0.000 0.271 439 R C 0.117 176.406 176.300 -0.018 0.000 0.993 439 R CA -0.773 55.325 56.100 -0.003 0.000 0.931 439 R CB 1.911 32.215 30.300 0.007 0.000 1.206 439 R HN 0.552 nan 8.270 nan 0.000 0.474 440 S N 0.301 115.979 115.700 -0.036 0.000 2.681 440 S HA 0.312 4.783 4.470 0.001 0.000 0.270 440 S C 1.057 175.589 174.600 -0.114 0.000 1.209 440 S CA -0.083 58.073 58.200 -0.073 0.000 0.988 440 S CB 1.581 64.731 63.200 -0.082 0.000 1.006 440 S HN 0.717 nan 8.310 nan 0.000 0.558 441 A N -0.067 122.634 122.820 -0.200 0.000 2.066 441 A HA 0.016 4.337 4.320 0.001 0.000 0.218 441 A C 2.072 179.321 177.584 -0.558 0.000 1.157 441 A CA 1.230 53.057 52.037 -0.349 0.000 0.670 441 A CB -0.965 17.775 19.000 -0.433 0.000 0.804 441 A HN 0.964 nan 8.150 nan 0.000 0.453 442 E N -0.240 119.715 120.200 -0.407 0.000 2.110 442 E HA -0.207 4.143 4.350 0.001 0.000 0.193 442 E C 1.616 178.184 176.600 -0.053 0.000 0.988 442 E CA 1.265 57.501 56.400 -0.274 0.000 0.804 442 E CB 0.021 29.622 29.700 -0.165 0.000 0.745 442 E HN 0.430 nan 8.360 nan 0.000 0.458 443 K N 0.197 120.572 120.400 -0.042 0.000 2.305 443 K HA 0.078 4.398 4.320 0.001 0.000 0.199 443 K C 1.883 178.528 176.600 0.074 0.000 1.047 443 K CA 0.136 56.440 56.287 0.029 0.000 0.976 443 K CB 0.027 32.534 32.500 0.011 0.000 0.765 443 K HN 0.106 nan 8.250 nan 0.000 0.474 444 L N -0.853 120.411 121.223 0.069 0.000 2.072 444 L HA -0.148 4.193 4.340 0.001 0.000 0.205 444 L C 1.512 178.554 176.870 0.287 0.000 1.079 444 L CA 0.979 55.906 54.840 0.145 0.000 0.752 444 L CB -0.163 41.978 42.059 0.137 0.000 0.906 444 L HN 0.339 nan 8.230 nan 0.000 0.436 445 W N 0.691 122.015 121.300 0.039 0.000 2.338 445 W HA -0.240 4.420 4.660 0.001 0.000 0.304 445 W C 2.871 179.435 176.519 0.075 0.000 1.212 445 W CA 1.996 59.369 57.345 0.047 0.000 1.264 445 W CB -1.225 28.253 29.460 0.030 0.000 1.142 445 W HN 0.113 nan 8.180 nan 0.000 0.512 446 K N 0.497 121.087 120.400 0.316 0.000 2.001 446 K HA -0.184 4.137 4.320 0.001 0.000 0.214 446 K C 2.031 178.750 176.600 0.198 0.000 1.050 446 K CA 1.917 58.342 56.287 0.230 0.000 0.934 446 K CB -1.398 31.201 32.500 0.165 0.000 0.718 446 K HN 0.288 nan 8.250 nan 0.000 0.443 447 L N 0.473 121.786 121.223 0.150 0.000 2.079 447 L HA -0.217 4.123 4.340 0.001 0.000 0.210 447 L C 2.888 179.813 176.870 0.091 0.000 1.081 447 L CA 1.933 56.828 54.840 0.092 0.000 0.752 447 L CB -0.049 42.042 42.059 0.053 0.000 0.896 447 L HN 0.596 nan 8.230 nan 0.000 0.433 448 Q N -2.135 117.745 119.800 0.134 0.000 2.245 448 Q HA -0.212 4.129 4.340 0.001 0.000 0.201 448 Q C 1.891 177.970 176.000 0.131 0.000 0.955 448 Q CA 1.030 56.899 55.803 0.111 0.000 0.870 448 Q CB 0.116 28.924 28.738 0.117 0.000 0.945 448 Q HN 0.582 nan 8.270 nan 0.000 0.461 449 H N 0.326 119.430 119.070 0.057 0.000 2.403 449 H HA 0.044 4.601 4.556 0.001 0.000 0.298 449 H C 1.470 176.843 175.328 0.075 0.000 1.059 449 H CA 1.383 57.461 56.048 0.050 0.000 1.363 449 H CB 0.382 30.173 29.762 0.048 0.000 1.410 449 H HN 0.182 nan 8.280 nan 0.000 0.528 450 E N -0.074 120.138 120.200 0.018 0.000 2.110 450 E HA -0.130 4.221 4.350 0.001 0.000 0.193 450 E C 2.079 178.704 176.600 0.042 0.000 0.988 450 E CA 1.173 57.579 56.400 0.010 0.000 0.804 450 E CB 0.052 29.812 29.700 0.101 0.000 0.745 450 E HN 0.513 nan 8.360 nan 0.000 0.458 451 I N 1.203 121.793 120.570 0.034 0.000 2.286 451 I HA -0.217 3.954 4.170 0.001 0.000 0.245 451 I C 2.682 178.840 176.117 0.068 0.000 1.104 451 I CA 1.067 62.393 61.300 0.044 0.000 1.397 451 I CB -0.461 37.540 38.000 0.001 0.000 1.072 451 I HN 0.227 nan 8.210 nan 0.000 0.417 452 E N 1.342 121.566 120.200 0.039 0.000 2.106 452 E HA -0.245 4.106 4.350 0.001 0.000 0.192 452 E C 2.207 178.811 176.600 0.006 0.000 0.984 452 E CA 1.156 57.579 56.400 0.038 0.000 0.806 452 E CB -0.163 29.578 29.700 0.068 0.000 0.750 452 E HN 0.412 nan 8.360 nan 0.000 0.458 453 M N -0.122 119.437 119.600 -0.068 0.000 2.175 453 M HA -0.122 4.359 4.480 0.001 0.000 0.264 453 M C 2.153 178.457 176.300 0.007 0.000 1.063 453 M CA 1.494 56.748 55.300 -0.078 0.000 1.119 453 M CB -0.283 32.201 32.600 -0.193 0.000 1.377 453 M HN 0.200 nan 8.290 nan 0.000 0.415 454 Y N 0.310 120.587 120.300 -0.038 0.000 2.274 454 Y HA -0.233 4.317 4.550 0.001 0.000 0.290 454 Y C 2.474 178.361 175.900 -0.021 0.000 1.145 454 Y CA 1.635 59.728 58.100 -0.013 0.000 1.203 454 Y CB -0.064 38.400 38.460 0.007 0.000 0.984 454 Y HN 0.088 nan 8.280 nan 0.000 0.533 455 R N -0.424 120.034 120.500 -0.070 0.000 2.062 455 R HA -0.159 4.182 4.340 0.001 0.000 0.229 455 R C 2.208 178.487 176.300 -0.035 0.000 1.128 455 R CA 1.343 57.397 56.100 -0.076 0.000 0.960 455 R CB -0.174 30.145 30.300 0.031 0.000 0.855 455 R HN 0.229 nan 8.270 nan 0.000 0.432 456 Q N 0.190 119.981 119.800 -0.016 0.000 2.234 456 Q HA -0.125 4.216 4.340 0.001 0.000 0.206 456 Q C 1.991 177.983 176.000 -0.013 0.000 0.980 456 Q CA 2.091 57.895 55.803 0.002 0.000 0.869 456 Q CB -0.117 28.624 28.738 0.006 0.000 0.912 456 Q HN 0.440 nan 8.270 nan 0.000 0.436 457 S N -1.936 113.719 115.700 -0.074 0.000 2.404 457 S HA 0.003 4.474 4.470 0.001 0.000 0.223 457 S C 1.985 176.534 174.600 -0.085 0.000 1.040 457 S CA 0.675 58.826 58.200 -0.081 0.000 0.957 457 S CB -0.358 62.779 63.200 -0.105 0.000 0.826 457 S HN 0.099 nan 8.310 nan 0.000 0.491 458 V N 2.038 121.832 119.914 -0.201 0.000 2.490 458 V HA -0.084 4.037 4.120 0.001 0.000 0.250 458 V C 2.411 178.663 176.094 0.262 0.000 1.061 458 V CA 1.750 64.025 62.300 -0.041 0.000 1.064 458 V CB -0.727 30.952 31.823 -0.241 0.000 0.670 458 V HN 0.487 nan 8.190 nan 0.000 0.461 459 I N 0.255 120.940 120.570 0.193 0.000 2.286 459 I HA -0.239 3.931 4.170 0.001 0.000 0.248 459 I C 2.594 178.825 176.117 0.190 0.000 1.115 459 I CA 1.440 62.844 61.300 0.174 0.000 1.392 459 I CB -0.461 37.577 38.000 0.062 0.000 1.065 459 I HN 0.283 nan 8.210 nan 0.000 0.418 460 A N -0.190 122.711 122.820 0.135 0.000 1.902 460 A HA -0.262 4.059 4.320 0.001 0.000 0.217 460 A C 2.251 179.943 177.584 0.180 0.000 1.181 460 A CA 1.533 53.642 52.037 0.121 0.000 0.623 460 A CB -0.569 18.471 19.000 0.065 0.000 0.818 460 A HN 0.447 nan 8.150 nan 0.000 0.443 461 Q N -1.553 118.389 119.800 0.238 0.000 1.975 461 Q HA -0.224 4.116 4.340 0.001 0.000 0.205 461 Q C 2.062 178.379 176.000 0.528 0.000 0.990 461 Q CA 1.604 57.623 55.803 0.359 0.000 0.845 461 Q CB -0.345 28.604 28.738 0.352 0.000 0.913 461 Q HN 0.885 nan 8.270 nan 0.000 0.420 462 W N 1.768 123.266 121.300 0.330 0.000 2.290 462 W HA -0.294 4.367 4.660 0.002 0.000 0.323 462 W C 1.684 178.177 176.519 -0.043 0.000 1.260 462 W CA 1.668 58.994 57.345 -0.031 0.000 1.266 462 W CB -0.146 29.309 29.460 -0.007 0.000 1.149 462 W HN 0.143 nan 8.180 nan 0.000 0.482 463 K N -0.430 120.176 120.400 0.344 0.000 2.103 463 K HA -0.063 4.258 4.320 0.001 0.000 0.204 463 K C 2.164 178.834 176.600 0.116 0.000 1.052 463 K CA 1.241 57.650 56.287 0.203 0.000 0.945 463 K CB -0.699 31.890 32.500 0.149 0.000 0.722 463 K HN 0.129 nan 8.250 nan 0.000 0.443 464 A N 0.936 123.830 122.820 0.124 0.000 1.969 464 A HA -0.096 4.225 4.320 0.001 0.000 0.218 464 A C 2.035 179.659 177.584 0.066 0.000 1.169 464 A CA 1.246 53.335 52.037 0.087 0.000 0.635 464 A CB -0.263 18.793 19.000 0.093 0.000 0.810 464 A HN 0.194 nan 8.150 nan 0.000 0.445 465 M N -1.510 118.132 119.600 0.071 0.000 2.561 465 M HA 0.116 4.597 4.480 0.001 0.000 0.238 465 M C 0.604 176.849 176.300 -0.091 0.000 1.131 465 M CA 0.379 55.681 55.300 0.002 0.000 1.046 465 M CB -0.256 32.362 32.600 0.030 0.000 1.532 465 M HN 0.573 nan 8.290 nan 0.000 0.497 466 N N 0.480 119.139 118.700 -0.067 0.000 2.708 466 N HA -0.174 4.566 4.740 0.001 0.000 0.249 466 N C -0.855 174.556 175.510 -0.166 0.000 1.097 466 N CA -0.011 53.001 53.050 -0.064 0.000 0.710 466 N CB -0.917 37.552 38.487 -0.030 0.000 1.032 466 N HN 0.324 nan 8.380 nan 0.000 0.551 467 L N -1.318 119.669 121.223 -0.395 0.000 2.468 467 L HA 0.202 4.543 4.340 0.001 0.000 0.253 467 L C 1.371 178.038 176.870 -0.338 0.000 1.237 467 L CA -0.022 54.465 54.840 -0.589 0.000 0.823 467 L CB 0.253 41.592 42.059 -1.199 0.000 1.124 467 L HN 0.092 nan 8.230 nan 0.000 0.504 468 D N -1.310 118.905 120.400 -0.309 0.000 2.457 468 D HA 0.297 4.937 4.640 0.001 0.000 0.254 468 D C -0.427 175.901 176.300 0.047 0.000 1.097 468 D CA 0.604 54.569 54.000 -0.060 0.000 0.870 468 D CB 1.887 42.604 40.800 -0.138 0.000 1.253 468 D HN 0.193 nan 8.370 nan 0.000 0.500 469 V N 0.933 120.711 119.914 -0.225 0.000 3.174 469 V HA 0.295 4.416 4.120 0.001 0.000 0.280 469 V C -2.045 173.737 176.094 -0.520 0.000 1.554 469 V CA -0.841 61.303 62.300 -0.259 0.000 1.016 469 V CB 3.130 34.626 31.823 -0.546 0.000 1.197 469 V HN -0.001 nan 8.190 nan 0.000 0.453 470 L N 4.005 125.055 121.223 -0.289 0.000 2.436 470 L HA 0.820 5.161 4.340 0.001 0.000 0.268 470 L C -1.598 175.247 176.870 -0.042 0.000 0.974 470 L CA -0.281 54.434 54.840 -0.208 0.000 0.826 470 L CB 1.731 43.781 42.059 -0.015 0.000 1.291 470 L HN 0.651 nan 8.230 nan 0.000 0.406 471 L N 3.968 125.186 121.223 -0.009 0.000 2.307 471 L HA 0.832 5.173 4.340 0.001 0.000 0.284 471 L C -0.640 176.160 176.870 -0.117 0.000 1.023 471 L CA 0.447 55.329 54.840 0.069 0.000 0.810 471 L CB 1.882 44.052 42.059 0.186 0.000 1.231 471 L HN 0.769 nan 8.230 nan 0.000 0.423 472 T N 5.669 120.143 114.554 -0.133 0.000 2.933 472 T HA 0.521 4.871 4.350 0.001 0.000 0.305 472 T C -2.841 171.792 174.700 -0.111 0.000 1.092 472 T CA -0.977 60.956 62.100 -0.278 0.000 1.008 472 T CB 2.117 70.906 68.868 -0.132 0.000 1.102 472 T HN 0.352 nan 8.240 nan 0.000 0.469 473 P HA 0.387 nan 4.420 nan 0.000 0.272 473 P C -0.918 176.224 177.300 -0.263 0.000 1.223 473 P CA -0.622 62.373 63.100 -0.174 0.000 0.784 473 P CB 0.513 32.078 31.700 -0.226 0.000 0.923 474 M N 3.437 122.913 119.600 -0.206 0.000 2.253 474 M HA 0.285 4.766 4.480 0.001 0.000 0.314 474 M C -0.779 175.462 176.300 -0.100 0.000 1.019 474 M CA -1.242 53.974 55.300 -0.141 0.000 0.932 474 M CB 0.838 33.399 32.600 -0.064 0.000 1.606 474 M HN 0.176 nan 8.290 nan 0.000 0.430 475 L N 4.821 126.031 121.223 -0.021 0.000 2.769 475 L HA -0.042 4.299 4.340 0.001 0.000 0.293 475 L C 0.802 177.798 176.870 0.211 0.000 1.224 475 L CA 1.348 56.292 54.840 0.174 0.000 0.906 475 L CB -0.431 41.915 42.059 0.478 0.000 1.193 475 L HN 1.040 nan 8.230 nan 0.000 0.488 476 G N 6.619 115.456 108.800 0.062 0.000 2.467 476 G HA2 0.121 4.082 3.960 0.001 0.000 0.243 476 G HA3 0.121 4.082 3.960 0.001 0.000 0.243 476 G C -2.379 172.434 174.900 -0.145 0.000 1.521 476 G CA -0.442 44.631 45.100 -0.045 0.000 1.055 476 G HN 0.635 nan 8.290 nan 0.000 0.553 477 P HA 0.267 nan 4.420 nan 0.000 0.269 477 P C -0.040 176.916 177.300 -0.573 0.000 1.209 477 P CA 0.076 62.986 63.100 -0.316 0.000 0.776 477 P CB 0.440 31.998 31.700 -0.238 0.000 0.876 478 A N 3.229 125.602 122.820 -0.746 0.000 2.608 478 A HA -0.006 4.315 4.320 0.001 0.000 0.239 478 A C 0.412 177.624 177.584 -0.620 0.000 1.018 478 A CA 0.199 51.599 52.037 -1.062 0.000 0.766 478 A CB -0.863 17.881 19.000 -0.426 0.000 0.928 478 A HN 0.464 nan 8.150 nan 0.000 0.512 479 L N 2.482 123.362 121.223 -0.572 0.000 2.472 479 L HA 0.188 4.529 4.340 0.001 0.000 0.260 479 L C 0.993 177.782 176.870 -0.135 0.000 1.209 479 L CA 0.345 55.051 54.840 -0.222 0.000 0.817 479 L CB 0.095 42.110 42.059 -0.073 0.000 1.106 479 L HN 0.727 nan 8.230 nan 0.000 0.479 480 D N -0.484 119.858 120.400 -0.097 0.000 2.273 480 D HA -0.005 4.636 4.640 0.001 0.000 0.247 480 D C 1.035 177.301 176.300 -0.057 0.000 1.313 480 D CA -0.300 53.661 54.000 -0.065 0.000 0.974 480 D CB 0.330 41.099 40.800 -0.052 0.000 1.157 480 D HN 0.234 nan 8.370 nan 0.000 0.533 481 L N 0.692 121.889 121.223 -0.042 0.000 1.938 481 L HA -0.073 4.268 4.340 0.001 0.000 0.212 481 L C 1.310 178.145 176.870 -0.058 0.000 1.085 481 L CA 1.699 56.516 54.840 -0.037 0.000 0.760 481 L CB -0.716 41.329 42.059 -0.023 0.000 0.888 481 L HN 0.299 nan 8.230 nan 0.000 0.433 482 N N -0.786 117.882 118.700 -0.052 0.000 2.346 482 N HA 0.026 4.767 4.740 0.001 0.000 0.225 482 N C 1.069 176.530 175.510 -0.082 0.000 1.144 482 N CA 0.783 53.796 53.050 -0.061 0.000 0.837 482 N CB 0.033 38.500 38.487 -0.034 0.000 1.069 482 N HN 0.574 nan 8.380 nan 0.000 0.487 483 T N -3.110 111.379 114.554 -0.108 0.000 3.037 483 T HA 0.146 4.497 4.350 0.001 0.000 0.252 483 T C -1.030 173.551 174.700 -0.199 0.000 1.073 483 T CA 0.022 62.057 62.100 -0.108 0.000 1.091 483 T CB -0.563 68.262 68.868 -0.072 0.000 0.935 483 T HN -0.047 nan 8.240 nan 0.000 0.488 484 P HA 0.058 nan 4.420 nan 0.000 0.221 484 P C 1.790 178.785 177.300 -0.509 0.000 1.145 484 P CA 1.115 63.681 63.100 -0.889 0.000 0.795 484 P CB -0.612 30.143 31.700 -1.575 0.000 0.775 485 G N -0.325 108.312 108.800 -0.272 0.000 2.484 485 G HA2 -0.178 3.783 3.960 0.001 0.000 0.218 485 G HA3 -0.178 3.783 3.960 0.001 0.000 0.218 485 G C 1.474 176.349 174.900 -0.043 0.000 1.130 485 G CA 0.220 45.253 45.100 -0.111 0.000 0.784 485 G HN 0.253 nan 8.290 nan 0.000 0.543 486 R N -0.031 120.445 120.500 -0.040 0.000 2.432 486 R HA 0.388 4.729 4.340 0.001 0.000 0.260 486 R C 0.344 176.703 176.300 0.098 0.000 0.935 486 R CA 0.399 56.532 56.100 0.055 0.000 1.080 486 R CB 0.809 31.139 30.300 0.050 0.000 1.155 486 R HN 0.236 nan 8.270 nan 0.000 0.531 487 A N 0.399 123.189 122.820 -0.050 0.000 3.410 487 A HA 0.208 4.529 4.320 0.001 0.000 0.276 487 A C 0.552 177.885 177.584 -0.418 0.000 0.995 487 A CA -0.414 51.542 52.037 -0.134 0.000 0.934 487 A CB 0.414 19.455 19.000 0.068 0.000 1.191 487 A HN -0.063 nan 8.150 nan 0.000 0.511 488 T N -0.072 113.884 114.554 -0.996 0.000 3.007 488 T HA -0.057 4.294 4.350 0.001 0.000 0.270 488 T C 2.111 176.194 174.700 -1.028 0.000 1.107 488 T CA 2.012 63.571 62.100 -0.902 0.000 1.118 488 T CB -0.010 68.318 68.868 -0.900 0.000 0.889 488 T HN 0.752 nan 8.240 nan 0.000 0.506 489 G N 1.371 109.308 108.800 -1.440 0.000 2.440 489 G HA2 -0.171 3.790 3.960 0.001 0.000 0.218 489 G HA3 -0.171 3.790 3.960 0.001 0.000 0.218 489 G C 1.832 176.639 174.900 -0.155 0.000 1.154 489 G CA 0.920 45.674 45.100 -0.577 0.000 0.767 489 G HN 0.566 nan 8.290 nan 0.000 0.552 490 A N 1.390 124.158 122.820 -0.086 0.000 1.997 490 A HA -0.138 4.183 4.320 0.001 0.000 0.221 490 A C 2.334 179.945 177.584 0.045 0.000 1.172 490 A CA 1.644 53.723 52.037 0.069 0.000 0.645 490 A CB -0.572 18.503 19.000 0.126 0.000 0.813 490 A HN 0.998 nan 8.150 nan 0.000 0.454 491 I N -0.951 119.550 120.570 -0.115 0.000 3.369 491 I HA -0.076 4.095 4.170 0.001 0.000 0.288 491 I C 1.961 178.048 176.117 -0.049 0.000 1.321 491 I CA 1.176 62.472 61.300 -0.007 0.000 1.358 491 I CB -0.622 37.337 38.000 -0.067 0.000 1.038 491 I HN 0.307 nan 8.210 nan 0.000 0.516 492 S N 2.028 117.687 115.700 -0.069 0.000 2.368 492 S HA -0.316 4.154 4.470 0.001 0.000 0.226 492 S C 1.945 176.432 174.600 -0.189 0.000 1.044 492 S CA 1.690 59.761 58.200 -0.214 0.000 1.062 492 S CB -1.191 61.873 63.200 -0.226 0.000 0.931 492 S HN 0.670 nan 8.310 nan 0.000 0.440 493 Y N 2.750 123.063 120.300 0.022 0.000 2.421 493 Y HA -0.024 4.527 4.550 0.001 0.000 0.292 493 Y C 3.115 179.060 175.900 0.075 0.000 1.136 493 Y CA 1.424 59.580 58.100 0.095 0.000 1.255 493 Y CB -0.615 37.921 38.460 0.128 0.000 0.991 493 Y HN 0.667 nan 8.280 nan 0.000 0.552 494 T N -5.014 109.579 114.554 0.065 0.000 3.042 494 T HA -0.011 4.340 4.350 0.001 0.000 0.245 494 T C 1.843 176.530 174.700 -0.023 0.000 1.029 494 T CA 0.597 62.689 62.100 -0.013 0.000 1.120 494 T CB -0.837 67.840 68.868 -0.318 0.000 0.917 494 T HN 0.091 nan 8.240 nan 0.000 0.467 495 V N 1.596 121.446 119.914 -0.107 0.000 2.720 495 V HA 0.010 4.131 4.120 0.001 0.000 0.256 495 V C 2.311 178.279 176.094 -0.210 0.000 1.082 495 V CA 1.176 63.388 62.300 -0.147 0.000 1.101 495 V CB -0.569 31.151 31.823 -0.172 0.000 0.693 495 V HN 0.468 nan 8.190 nan 0.000 0.479 496 L N -0.485 120.558 121.223 -0.300 0.000 2.131 496 L HA -0.115 4.226 4.340 0.001 0.000 0.210 496 L C 1.842 178.338 176.870 -0.623 0.000 1.092 496 L CA 2.097 56.633 54.840 -0.506 0.000 0.759 496 L CB -0.628 41.037 42.059 -0.656 0.000 0.903 496 L HN 0.481 nan 8.230 nan 0.000 0.435 497 Y N -1.276 118.964 120.300 -0.100 0.000 2.466 497 Y HA 0.151 4.702 4.550 0.001 0.000 0.272 497 Y C 2.186 178.029 175.900 -0.095 0.000 1.169 497 Y CA 0.073 58.108 58.100 -0.108 0.000 1.285 497 Y CB -0.534 37.926 38.460 0.001 0.000 1.078 497 Y HN 0.280 nan 8.280 nan 0.000 0.523 498 N N -0.975 117.710 118.700 -0.025 0.000 2.251 498 N HA -0.149 4.592 4.740 0.001 0.000 0.181 498 N C 1.885 177.342 175.510 -0.089 0.000 1.019 498 N CA 1.171 54.191 53.050 -0.050 0.000 0.862 498 N CB -0.535 37.911 38.487 -0.069 0.000 0.992 498 N HN 0.347 nan 8.380 nan 0.000 0.429 499 C N 1.257 120.471 119.300 -0.144 0.000 2.425 499 C HA 0.069 4.530 4.460 0.001 0.000 0.277 499 C C 2.456 177.370 174.990 -0.126 0.000 1.280 499 C CA 0.405 59.331 59.018 -0.153 0.000 1.744 499 C CB -1.146 26.462 27.740 -0.219 0.000 1.989 499 C HN 0.333 nan 8.230 nan 0.000 0.491 500 L N -0.024 121.075 121.223 -0.207 0.000 2.509 500 L HA 0.133 4.474 4.340 0.001 0.000 0.222 500 L C 0.636 177.418 176.870 -0.147 0.000 1.123 500 L CA 0.742 55.384 54.840 -0.330 0.000 0.856 500 L CB -0.458 41.078 42.059 -0.872 0.000 0.985 500 L HN 0.281 nan 8.230 nan 0.000 0.456 501 D N 0.711 121.089 120.400 -0.036 0.000 2.890 501 D HA -0.265 4.376 4.640 0.001 0.000 0.226 501 D C -0.598 175.851 176.300 0.248 0.000 1.207 501 D CA 0.760 54.789 54.000 0.049 0.000 0.764 501 D CB -0.955 39.835 40.800 -0.017 0.000 0.948 501 D HN 0.132 nan 8.370 nan 0.000 0.404 502 F N 0.177 120.109 119.950 -0.031 0.000 2.480 502 F HA 0.410 4.937 4.527 0.001 0.000 0.329 502 F C -1.509 174.237 175.800 -0.091 0.000 1.091 502 F CA -2.872 55.085 58.000 -0.071 0.000 0.972 502 F CB 1.983 41.021 39.000 0.064 0.000 1.150 502 F HN -0.142 nan 8.300 nan 0.000 0.467 503 P HA -0.061 nan 4.420 nan 0.000 0.255 503 P C -1.138 176.165 177.300 0.005 0.000 1.161 503 P CA 0.555 63.641 63.100 -0.022 0.000 0.768 503 P CB 0.223 31.881 31.700 -0.070 0.000 0.746 504 A N 3.708 126.529 122.820 0.002 0.000 2.435 504 A HA 0.856 5.177 4.320 0.001 0.000 0.304 504 A C -0.141 177.433 177.584 -0.016 0.000 1.064 504 A CA -0.348 51.664 52.037 -0.041 0.000 0.727 504 A CB 1.971 20.928 19.000 -0.073 0.000 1.284 504 A HN 0.507 nan 8.150 nan 0.000 0.415 505 G N -0.633 108.158 108.800 -0.015 0.000 2.690 505 G HA2 0.594 4.555 3.960 0.001 0.000 0.293 505 G HA3 0.594 4.555 3.960 0.001 0.000 0.293 505 G C -1.917 172.974 174.900 -0.014 0.000 1.399 505 G CA -0.465 44.634 45.100 -0.001 0.000 0.890 505 G HN 1.053 nan 8.290 nan 0.000 0.485 506 V N 0.764 120.668 119.914 -0.017 0.000 2.531 506 V HA 0.690 4.811 4.120 0.001 0.000 0.301 506 V C -0.520 175.565 176.094 -0.015 0.000 1.034 506 V CA -0.761 61.524 62.300 -0.025 0.000 0.865 506 V CB 1.588 33.390 31.823 -0.036 0.000 0.995 506 V HN 1.008 nan 8.190 nan 0.000 0.424 507 V N 7.332 127.229 119.914 -0.028 0.000 2.588 507 V HA 0.798 4.918 4.120 0.001 0.000 0.304 507 V C -2.639 173.440 176.094 -0.025 0.000 1.042 507 V CA -2.284 60.000 62.300 -0.026 0.000 0.877 507 V CB 2.750 34.542 31.823 -0.052 0.000 0.996 507 V HN 0.740 nan 8.190 nan 0.000 0.425 508 P HA 0.295 nan 4.420 nan 0.000 0.285 508 P C 0.339 177.626 177.300 -0.022 0.000 1.259 508 P CA 0.080 63.173 63.100 -0.012 0.000 0.794 508 P CB 1.696 33.400 31.700 0.006 0.000 0.940 509 V N 0.034 119.927 119.914 -0.034 0.000 3.473 509 V HA 0.291 4.412 4.120 0.001 0.000 0.253 509 V C 0.664 176.738 176.094 -0.032 0.000 1.340 509 V CA 0.932 63.211 62.300 -0.036 0.000 1.103 509 V CB 0.243 32.040 31.823 -0.045 0.000 0.881 509 V HN 0.627 nan 8.190 nan 0.000 0.451 510 T N 0.267 114.795 114.554 -0.044 0.000 2.681 510 T HA 0.627 4.978 4.350 0.001 0.000 0.296 510 T C -0.553 174.099 174.700 -0.080 0.000 1.157 510 T CA 0.505 62.576 62.100 -0.048 0.000 1.025 510 T CB 1.863 70.705 68.868 -0.043 0.000 1.441 510 T HN 0.873 nan 8.240 nan 0.000 0.504 511 T N -0.668 113.835 114.554 -0.084 0.000 2.916 511 T HA 0.662 5.013 4.350 0.001 0.000 0.292 511 T C -0.711 173.929 174.700 -0.101 0.000 1.064 511 T CA -0.598 61.421 62.100 -0.134 0.000 1.011 511 T CB 1.184 69.956 68.868 -0.160 0.000 1.152 511 T HN 0.493 nan 8.240 nan 0.000 0.510 512 V N 4.047 123.887 119.914 -0.122 0.000 2.479 512 V HA 0.329 4.450 4.120 0.001 0.000 0.281 512 V C 1.455 177.513 176.094 -0.060 0.000 1.031 512 V CA 0.168 62.414 62.300 -0.091 0.000 1.038 512 V CB 0.204 31.962 31.823 -0.109 0.000 0.981 512 V HN 1.183 nan 8.190 nan 0.000 0.478 513 T N 2.859 117.388 114.554 -0.042 0.000 2.824 513 T HA 0.553 4.903 4.350 0.001 0.000 0.277 513 T C 1.378 176.065 174.700 -0.022 0.000 0.975 513 T CA -0.051 62.034 62.100 -0.025 0.000 0.966 513 T CB 1.548 70.406 68.868 -0.016 0.000 1.054 513 T HN 0.657 nan 8.240 nan 0.000 0.533 514 A N 0.295 123.107 122.820 -0.013 0.000 1.933 514 A HA 0.091 4.412 4.320 0.001 0.000 0.218 514 A C 2.597 180.176 177.584 -0.008 0.000 1.175 514 A CA 2.115 54.146 52.037 -0.009 0.000 0.628 514 A CB -1.822 17.175 19.000 -0.004 0.000 0.814 514 A HN 1.159 nan 8.150 nan 0.000 0.444 515 E N 0.203 120.400 120.200 -0.006 0.000 2.150 515 E HA -0.205 4.146 4.350 0.001 0.000 0.193 515 E C 1.588 178.187 176.600 -0.003 0.000 0.985 515 E CA 1.383 57.782 56.400 -0.001 0.000 0.814 515 E CB -0.781 28.920 29.700 0.001 0.000 0.752 515 E HN 0.682 nan 8.360 nan 0.000 0.466 516 D N 0.287 120.680 120.400 -0.011 0.000 2.144 516 D HA -0.103 4.538 4.640 0.001 0.000 0.199 516 D C 1.354 177.641 176.300 -0.023 0.000 0.984 516 D CA 1.636 55.626 54.000 -0.017 0.000 0.834 516 D CB -0.280 40.502 40.800 -0.031 0.000 0.955 516 D HN 0.483 nan 8.370 nan 0.000 0.465 517 D N -0.568 119.817 120.400 -0.026 0.000 2.333 517 D HA 0.121 4.762 4.640 0.001 0.000 0.208 517 D C 1.850 178.141 176.300 -0.015 0.000 0.984 517 D CA 0.492 54.474 54.000 -0.030 0.000 0.873 517 D CB 0.281 41.060 40.800 -0.035 0.000 0.935 517 D HN 0.052 nan 8.370 nan 0.000 0.521 518 A N 0.074 122.891 122.820 -0.006 0.000 1.872 518 A HA -0.053 4.268 4.320 0.001 0.000 0.214 518 A C 2.234 179.826 177.584 0.013 0.000 1.187 518 A CA 1.853 53.892 52.037 0.003 0.000 0.614 518 A CB -1.200 17.803 19.000 0.005 0.000 0.826 518 A HN 0.293 nan 8.150 nan 0.000 0.442 519 Q N -1.227 118.583 119.800 0.017 0.000 2.515 519 Q HA 0.241 4.581 4.340 0.001 0.000 0.214 519 Q C 1.596 177.631 176.000 0.057 0.000 0.971 519 Q CA 1.254 57.078 55.803 0.034 0.000 0.952 519 Q CB -0.821 27.937 28.738 0.034 0.000 0.999 519 Q HN 0.531 nan 8.270 nan 0.000 0.524 520 M N 0.067 119.687 119.600 0.034 0.000 2.492 520 M HA 0.047 4.528 4.480 0.001 0.000 0.262 520 M C 2.117 178.463 176.300 0.076 0.000 1.090 520 M CA 1.218 56.537 55.300 0.032 0.000 1.110 520 M CB -0.271 32.306 32.600 -0.039 0.000 1.407 520 M HN 0.723 nan 8.290 nan 0.000 0.470 521 E N -0.387 119.848 120.200 0.059 0.000 2.385 521 E HA 0.262 4.613 4.350 0.001 0.000 0.194 521 E C 1.746 178.388 176.600 0.070 0.000 1.013 521 E CA 1.033 57.469 56.400 0.061 0.000 0.866 521 E CB -1.031 28.690 29.700 0.035 0.000 0.832 521 E HN 0.498 nan 8.360 nan 0.000 0.500 522 L N -0.911 120.356 121.223 0.073 0.000 2.653 522 L HA 0.567 4.908 4.340 0.001 0.000 0.231 522 L C 1.101 178.016 176.870 0.075 0.000 1.153 522 L CA -0.108 54.766 54.840 0.056 0.000 0.933 522 L CB -1.461 40.619 42.059 0.036 0.000 1.175 522 L HN 0.528 nan 8.230 nan 0.000 0.473 523 Y N 1.996 122.289 120.300 -0.012 0.000 2.436 523 Y HA 0.466 5.017 4.550 0.001 0.000 0.336 523 Y C 0.461 176.351 175.900 -0.017 0.000 1.049 523 Y CA 0.520 58.609 58.100 -0.019 0.000 1.294 523 Y CB 0.113 38.568 38.460 -0.008 0.000 1.179 523 Y HN 0.399 nan 8.280 nan 0.000 0.520 524 K N 3.864 124.035 120.400 -0.381 0.000 2.464 524 K HA 0.730 5.051 4.320 0.001 0.000 0.253 524 K C -0.095 176.131 176.600 -0.623 0.000 0.933 524 K CA -0.450 55.633 56.287 -0.341 0.000 0.801 524 K CB 1.043 33.451 32.500 -0.154 0.000 1.271 524 K HN 0.991 nan 8.250 nan 0.000 0.430 525 G N -0.474 108.072 108.800 -0.423 0.000 2.621 525 G HA2 0.427 4.387 3.960 0.001 0.000 0.271 525 G HA3 0.427 4.387 3.960 0.001 0.000 0.271 525 G C 0.163 174.899 174.900 -0.273 0.000 1.236 525 G CA -0.081 44.797 45.100 -0.370 0.000 0.958 525 G HN 0.655 nan 8.290 nan 0.000 0.512 526 Y N -1.086 119.154 120.300 -0.100 0.000 2.509 526 Y HA 0.113 4.664 4.550 0.001 0.000 0.293 526 Y C 1.915 177.476 175.900 -0.565 0.000 1.133 526 Y CA 0.866 58.764 58.100 -0.337 0.000 1.283 526 Y CB -0.068 38.126 38.460 -0.443 0.000 1.001 526 Y HN 0.413 nan 8.280 nan 0.000 0.555 527 F N -2.441 117.546 119.950 0.063 0.000 2.619 527 F HA 0.359 4.887 4.527 0.001 0.000 0.281 527 F C 2.066 177.872 175.800 0.011 0.000 1.065 527 F CA 0.490 58.498 58.000 0.014 0.000 1.304 527 F CB -0.141 38.856 39.000 -0.005 0.000 1.059 527 F HN -0.110 nan 8.300 nan 0.000 0.648 528 G N 1.349 110.266 108.800 0.195 0.000 2.166 528 G HA2 -0.298 3.662 3.960 0.001 0.000 0.260 528 G HA3 -0.298 3.662 3.960 0.001 0.000 0.260 528 G C -0.396 174.636 174.900 0.219 0.000 0.986 528 G CA 0.485 45.674 45.100 0.148 0.000 0.683 528 G HN 0.438 nan 8.290 nan 0.000 0.527 529 D N -0.141 120.415 120.400 0.260 0.000 2.341 529 D HA 0.345 4.986 4.640 0.001 0.000 0.245 529 D C 1.689 178.031 176.300 0.070 0.000 1.106 529 D CA -0.575 53.549 54.000 0.206 0.000 0.905 529 D CB 0.626 41.472 40.800 0.076 0.000 1.202 529 D HN 0.254 nan 8.370 nan 0.000 0.426 530 I N 0.553 121.097 120.570 -0.042 0.000 2.539 530 I HA -0.390 3.781 4.170 0.001 0.000 0.242 530 I C 0.924 177.137 176.117 0.161 0.000 0.926 530 I CA 2.128 63.414 61.300 -0.023 0.000 1.279 530 I CB -0.197 37.710 38.000 -0.155 0.000 0.975 530 I HN 0.542 nan 8.210 nan 0.000 0.420 531 W N 1.064 122.378 121.300 0.024 0.000 2.354 531 W HA -0.175 4.486 4.660 0.001 0.000 0.315 531 W C 2.574 179.159 176.519 0.110 0.000 1.206 531 W CA 1.266 58.637 57.345 0.044 0.000 1.290 531 W CB -1.606 27.859 29.460 0.009 0.000 1.152 531 W HN 0.272 nan 8.180 nan 0.000 0.489 532 D N -0.137 120.491 120.400 0.380 0.000 2.144 532 D HA -0.141 4.500 4.640 0.001 0.000 0.199 532 D C 2.152 178.630 176.300 0.297 0.000 0.984 532 D CA 1.239 55.447 54.000 0.347 0.000 0.834 532 D CB -0.299 40.672 40.800 0.285 0.000 0.955 532 D HN -0.006 nan 8.370 nan 0.000 0.465 533 I N 0.464 121.165 120.570 0.217 0.000 2.252 533 I HA -0.170 4.001 4.170 0.001 0.000 0.245 533 I C 2.403 178.605 176.117 0.142 0.000 1.102 533 I CA 0.627 62.025 61.300 0.163 0.000 1.385 533 I CB -0.882 37.189 38.000 0.119 0.000 1.064 533 I HN -0.030 nan 8.210 nan 0.000 0.414 534 I N 0.367 121.023 120.570 0.145 0.000 2.315 534 I HA -0.244 3.926 4.170 0.001 0.000 0.248 534 I C 2.355 178.523 176.117 0.084 0.000 1.117 534 I CA 0.944 62.307 61.300 0.105 0.000 1.404 534 I CB -0.414 37.653 38.000 0.111 0.000 1.071 534 I HN 0.102 nan 8.210 nan 0.000 0.419 535 L N 0.395 121.692 121.223 0.122 0.000 2.191 535 L HA -0.194 4.147 4.340 0.001 0.000 0.212 535 L C 2.334 179.160 176.870 -0.074 0.000 1.103 535 L CA 1.715 56.589 54.840 0.056 0.000 0.769 535 L CB -0.700 41.440 42.059 0.135 0.000 0.908 535 L HN 0.157 nan 8.230 nan 0.000 0.438 536 K N -0.327 120.085 120.400 0.020 0.000 2.001 536 K HA -0.202 4.119 4.320 0.001 0.000 0.208 536 K C 2.312 178.895 176.600 -0.028 0.000 1.048 536 K CA 1.941 58.225 56.287 -0.004 0.000 0.932 536 K CB -0.107 32.492 32.500 0.165 0.000 0.715 536 K HN 0.270 nan 8.250 nan 0.000 0.437 537 K N 0.448 120.853 120.400 0.007 0.000 2.097 537 K HA -0.054 4.267 4.320 0.001 0.000 0.206 537 K C 2.053 178.633 176.600 -0.033 0.000 1.049 537 K CA 1.690 57.974 56.287 -0.005 0.000 0.933 537 K CB -1.090 31.417 32.500 0.012 0.000 0.717 537 K HN 0.436 nan 8.250 nan 0.000 0.442 538 A N 0.256 123.050 122.820 -0.043 0.000 1.929 538 A HA 0.102 4.423 4.320 0.001 0.000 0.216 538 A C 2.368 179.891 177.584 -0.102 0.000 1.176 538 A CA 1.634 53.633 52.037 -0.062 0.000 0.628 538 A CB -0.126 18.846 19.000 -0.047 0.000 0.816 538 A HN 0.509 nan 8.150 nan 0.000 0.444 539 M N -0.389 119.133 119.600 -0.130 0.000 2.465 539 M HA 0.090 4.571 4.480 0.001 0.000 0.249 539 M C 1.210 177.426 176.300 -0.140 0.000 1.130 539 M CA 0.526 55.725 55.300 -0.169 0.000 1.067 539 M CB -0.290 32.178 32.600 -0.221 0.000 1.394 539 M HN 0.363 nan 8.290 nan 0.000 0.483 540 K N 1.553 121.891 120.400 -0.104 0.000 2.180 540 K HA 0.082 4.403 4.320 0.001 0.000 0.251 540 K C 0.668 177.229 176.600 -0.066 0.000 1.014 540 K CA -0.180 56.062 56.287 -0.073 0.000 0.913 540 K CB -0.155 32.316 32.500 -0.047 0.000 1.008 540 K HN 0.476 nan 8.250 nan 0.000 0.490 541 N N -0.212 118.458 118.700 -0.049 0.000 2.726 541 N HA -0.153 4.588 4.740 0.001 0.000 0.253 541 N C -0.427 175.053 175.510 -0.051 0.000 1.059 541 N CA 1.033 54.059 53.050 -0.040 0.000 0.701 541 N CB -1.217 37.252 38.487 -0.030 0.000 0.899 541 N HN 0.596 nan 8.380 nan 0.000 0.548 542 S N -1.183 114.480 115.700 -0.062 0.000 2.817 542 S HA 0.121 4.592 4.470 0.001 0.000 0.262 542 S C 0.250 174.802 174.600 -0.081 0.000 1.051 542 S CA -0.109 58.039 58.200 -0.086 0.000 1.185 542 S CB 1.126 64.250 63.200 -0.126 0.000 1.152 542 S HN 0.269 nan 8.310 nan 0.000 0.653 543 V N 2.660 122.542 119.914 -0.053 0.000 2.644 543 V HA 0.226 4.347 4.120 0.001 0.000 0.303 543 V C 1.564 177.639 176.094 -0.033 0.000 1.058 543 V CA 1.285 63.561 62.300 -0.040 0.000 1.228 543 V CB -1.000 30.812 31.823 -0.018 0.000 0.861 543 V HN 0.700 nan 8.190 nan 0.000 0.484 544 G N 3.665 112.433 108.800 -0.053 0.000 2.194 544 G HA2 -0.184 3.776 3.960 0.001 0.000 0.236 544 G HA3 -0.184 3.776 3.960 0.001 0.000 0.236 544 G C 0.020 174.814 174.900 -0.177 0.000 0.987 544 G CA -0.114 44.960 45.100 -0.043 0.000 0.635 544 G HN 0.545 nan 8.290 nan 0.000 0.520 545 L N 2.316 123.393 121.223 -0.244 0.000 2.350 545 L HA 0.383 4.724 4.340 0.001 0.000 0.275 545 L C -1.636 174.937 176.870 -0.495 0.000 1.099 545 L CA -1.418 53.146 54.840 -0.460 0.000 0.808 545 L CB 0.873 42.747 42.059 -0.307 0.000 1.149 545 L HN 0.010 nan 8.230 nan 0.000 0.442 546 P HA 0.164 nan 4.420 nan 0.000 0.276 546 P C -0.780 176.378 177.300 -0.236 0.000 1.235 546 P CA -0.157 62.675 63.100 -0.447 0.000 0.772 546 P CB 1.164 32.572 31.700 -0.487 0.000 0.871 547 V N 1.815 121.636 119.914 -0.156 0.000 2.881 547 V HA 0.890 5.011 4.120 0.001 0.000 0.316 547 V C 0.275 176.336 176.094 -0.054 0.000 1.070 547 V CA -1.013 61.234 62.300 -0.088 0.000 0.976 547 V CB 1.531 33.303 31.823 -0.085 0.000 1.038 547 V HN 0.787 nan 8.190 nan 0.000 0.446 548 A N 1.591 124.394 122.820 -0.029 0.000 2.515 548 A HA 0.898 5.218 4.320 0.001 0.000 0.296 548 A C -1.183 176.379 177.584 -0.036 0.000 1.094 548 A CA -0.672 51.350 52.037 -0.024 0.000 0.718 548 A CB 2.080 21.081 19.000 0.001 0.000 1.307 548 A HN 0.803 nan 8.150 nan 0.000 0.408 549 V N 0.422 120.311 119.914 -0.041 0.000 2.881 549 V HA 0.552 4.673 4.120 0.001 0.000 0.316 549 V C -0.269 175.801 176.094 -0.041 0.000 1.070 549 V CA -0.446 61.828 62.300 -0.044 0.000 0.976 549 V CB 1.797 33.595 31.823 -0.043 0.000 1.038 549 V HN 0.957 nan 8.190 nan 0.000 0.446 550 Q N 2.227 122.008 119.800 -0.032 0.000 2.342 550 Q HA 0.562 4.903 4.340 0.001 0.000 0.267 550 Q C -1.752 174.258 176.000 0.017 0.000 1.038 550 Q CA -0.539 55.249 55.803 -0.024 0.000 0.832 550 Q CB 1.876 30.595 28.738 -0.031 0.000 1.323 550 Q HN 0.827 nan 8.270 nan 0.000 0.448 551 C N 2.428 121.751 119.300 0.039 0.000 2.498 551 C HA 0.771 5.232 4.460 0.001 0.000 0.316 551 C C -0.669 174.362 174.990 0.069 0.000 1.209 551 C CA -0.718 58.398 59.018 0.164 0.000 1.518 551 C CB 1.148 29.048 27.740 0.267 0.000 2.147 551 C HN 0.585 nan 8.230 nan 0.000 0.483 552 V N 2.327 122.281 119.914 0.067 0.000 2.638 552 V HA 0.877 4.998 4.120 0.001 0.000 0.306 552 V C 0.202 176.387 176.094 0.152 0.000 1.052 552 V CA -0.111 62.197 62.300 0.013 0.000 0.885 552 V CB 1.578 33.328 31.823 -0.121 0.000 0.999 552 V HN 1.154 nan 8.190 nan 0.000 0.424 553 A N 4.044 126.891 122.820 0.044 0.000 2.414 553 A HA 0.921 5.241 4.320 0.001 0.000 0.278 553 A C -0.554 176.699 177.584 -0.553 0.000 1.228 553 A CA -0.850 51.164 52.037 -0.039 0.000 0.857 553 A CB 0.977 19.960 19.000 -0.028 0.000 1.389 553 A HN 0.740 nan 8.150 nan 0.000 0.452 554 L N 0.720 121.445 121.223 -0.830 0.000 2.476 554 L HA 0.225 4.566 4.340 0.001 0.000 0.264 554 L C -1.989 174.438 176.870 -0.738 0.000 1.224 554 L CA -1.510 52.595 54.840 -1.226 0.000 0.821 554 L CB 0.263 41.751 42.059 -0.952 0.000 1.101 554 L HN 0.390 nan 8.230 nan 0.000 0.488 555 P HA -0.132 nan 4.420 nan 0.000 0.261 555 P C -0.854 176.319 177.300 -0.212 0.000 1.173 555 P CA 0.573 63.401 63.100 -0.454 0.000 0.760 555 P CB 0.059 31.577 31.700 -0.304 0.000 0.783 556 W N 0.672 121.908 121.300 -0.107 0.000 2.062 556 W HA -0.185 4.476 4.660 0.001 0.000 0.257 556 W C 0.411 176.877 176.519 -0.089 0.000 1.024 556 W CA 0.079 57.378 57.345 -0.076 0.000 0.471 556 W CB -2.301 27.117 29.460 -0.071 0.000 2.039 556 W HN 0.364 nan 8.180 nan 0.000 1.321 557 Q N 0.770 120.570 119.800 0.001 0.000 2.735 557 Q HA 0.175 4.516 4.340 0.001 0.000 0.380 557 Q C 1.100 177.085 176.000 -0.025 0.000 1.060 557 Q CA 0.288 56.075 55.803 -0.027 0.000 1.025 557 Q CB 0.511 29.205 28.738 -0.073 0.000 1.350 557 Q HN 0.347 nan 8.270 nan 0.000 0.424 558 E N 1.250 121.450 120.200 0.001 0.000 2.077 558 E HA -0.208 4.143 4.350 0.001 0.000 0.193 558 E C 1.735 178.350 176.600 0.025 0.000 0.989 558 E CA 1.431 57.847 56.400 0.027 0.000 0.800 558 E CB 0.314 30.060 29.700 0.077 0.000 0.746 558 E HN 0.461 nan 8.360 nan 0.000 0.452 559 E N 0.609 120.763 120.200 -0.077 0.000 2.107 559 E HA -0.174 4.177 4.350 0.001 0.000 0.191 559 E C 2.156 178.790 176.600 0.056 0.000 0.982 559 E CA 0.698 57.006 56.400 -0.153 0.000 0.809 559 E CB -0.528 28.839 29.700 -0.554 0.000 0.756 559 E HN 0.236 nan 8.360 nan 0.000 0.459 560 L N 1.559 122.798 121.223 0.026 0.000 2.046 560 L HA -0.090 4.251 4.340 0.001 0.000 0.208 560 L C 2.567 179.508 176.870 0.119 0.000 1.077 560 L CA 1.467 56.345 54.840 0.062 0.000 0.747 560 L CB -0.960 41.109 42.059 0.016 0.000 0.896 560 L HN 0.323 nan 8.230 nan 0.000 0.432 561 C N -0.701 118.661 119.300 0.103 0.000 2.413 561 C HA -0.191 4.270 4.460 0.001 0.000 0.276 561 C C 2.798 177.914 174.990 0.209 0.000 1.236 561 C CA 1.292 60.399 59.018 0.148 0.000 1.735 561 C CB -1.055 26.736 27.740 0.086 0.000 2.031 561 C HN 0.615 nan 8.230 nan 0.000 0.474 562 L N 0.514 121.860 121.223 0.205 0.000 2.109 562 L HA -0.074 4.267 4.340 0.001 0.000 0.207 562 L C 2.981 180.090 176.870 0.398 0.000 1.086 562 L CA 1.407 56.406 54.840 0.266 0.000 0.760 562 L CB -0.813 41.378 42.059 0.221 0.000 0.910 562 L HN 0.364 nan 8.230 nan 0.000 0.437 563 R N 0.557 121.312 120.500 0.424 0.000 2.094 563 R HA -0.282 4.058 4.340 0.001 0.000 0.239 563 R C 2.369 178.768 176.300 0.164 0.000 1.137 563 R CA 2.321 58.549 56.100 0.213 0.000 0.943 563 R CB -0.977 29.404 30.300 0.136 0.000 0.850 563 R HN 0.338 nan 8.270 nan 0.000 0.433 564 F N 0.994 120.960 119.950 0.026 0.000 2.161 564 F HA -0.210 4.318 4.527 0.001 0.000 0.300 564 F C 2.377 178.183 175.800 0.009 0.000 1.089 564 F CA 1.797 59.785 58.000 -0.021 0.000 1.282 564 F CB -0.059 38.914 39.000 -0.045 0.000 1.010 564 F HN 0.030 nan 8.300 nan 0.000 0.485 565 M N -0.213 119.346 119.600 -0.068 0.000 2.175 565 M HA -0.171 4.310 4.480 0.001 0.000 0.264 565 M C 2.318 178.557 176.300 -0.102 0.000 1.063 565 M CA 1.604 56.808 55.300 -0.160 0.000 1.119 565 M CB -0.489 32.108 32.600 -0.004 0.000 1.377 565 M HN 0.093 nan 8.290 nan 0.000 0.415 566 R N 0.624 121.133 120.500 0.015 0.000 2.081 566 R HA -0.218 4.123 4.340 0.001 0.000 0.235 566 R C 1.999 178.274 176.300 -0.043 0.000 1.131 566 R CA 1.965 58.078 56.100 0.021 0.000 0.960 566 R CB -0.123 30.202 30.300 0.042 0.000 0.856 566 R HN 0.247 nan 8.270 nan 0.000 0.436 567 E N -0.124 120.037 120.200 -0.065 0.000 2.110 567 E HA -0.126 4.225 4.350 0.001 0.000 0.193 567 E C 1.810 178.332 176.600 -0.130 0.000 0.988 567 E CA 1.428 57.797 56.400 -0.052 0.000 0.804 567 E CB -0.004 29.719 29.700 0.038 0.000 0.745 567 E HN 0.208 nan 8.360 nan 0.000 0.458 568 V N 0.759 120.492 119.914 -0.301 0.000 2.307 568 V HA -0.229 3.892 4.120 0.001 0.000 0.245 568 V C 2.412 178.414 176.094 -0.153 0.000 1.045 568 V CA 2.160 64.273 62.300 -0.311 0.000 1.024 568 V CB -0.613 30.899 31.823 -0.517 0.000 0.651 568 V HN 0.400 nan 8.190 nan 0.000 0.449 569 E N -0.461 119.671 120.200 -0.113 0.000 2.097 569 E HA -0.299 4.052 4.350 0.001 0.000 0.196 569 E C 2.345 178.926 176.600 -0.031 0.000 1.000 569 E CA 1.561 57.931 56.400 -0.050 0.000 0.804 569 E CB -0.092 29.597 29.700 -0.019 0.000 0.740 569 E HN 0.535 nan 8.360 nan 0.000 0.454 570 Q N 0.013 119.794 119.800 -0.032 0.000 2.079 570 Q HA -0.106 4.235 4.340 0.001 0.000 0.200 570 Q C 2.406 178.397 176.000 -0.015 0.000 0.974 570 Q CA 1.024 56.817 55.803 -0.016 0.000 0.840 570 Q CB 0.017 28.748 28.738 -0.012 0.000 0.898 570 Q HN 0.412 nan 8.270 nan 0.000 0.430 571 L N -0.430 120.780 121.223 -0.023 0.000 2.240 571 L HA -0.094 4.247 4.340 0.001 0.000 0.211 571 L C 2.144 179.001 176.870 -0.020 0.000 1.106 571 L CA 0.460 55.289 54.840 -0.018 0.000 0.793 571 L CB -0.176 41.875 42.059 -0.013 0.000 0.927 571 L HN 0.201 nan 8.230 nan 0.000 0.446 572 M N -1.333 118.251 119.600 -0.027 0.000 2.567 572 M HA 0.148 4.629 4.480 0.001 0.000 0.261 572 M C 0.869 177.162 176.300 -0.012 0.000 1.180 572 M CA 0.657 55.943 55.300 -0.024 0.000 1.143 572 M CB -0.119 32.459 32.600 -0.037 0.000 1.319 572 M HN 0.158 nan 8.290 nan 0.000 0.490 573 T N 0.000 114.550 114.554 -0.007 0.000 3.816 573 T HA 0.000 4.351 4.350 0.001 0.000 0.228 573 T CA 0.000 62.103 62.100 0.006 0.000 1.349 573 T CB 0.000 68.877 68.868 0.015 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658