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 3izk_1_I DATA FIRST_RESID 3929 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVIAA DATA SEQUENCE IAALSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 3929 V HA 0.000 nan 4.120 nan 0.000 0.244 3929 V C 0.000 176.088 176.094 -0.010 0.000 1.182 3929 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 3929 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 3930 L N 1.836 123.052 121.223 -0.012 0.000 2.352 3930 L HA 0.607 4.947 4.340 -0.001 0.000 0.269 3930 L C -2.290 174.575 176.870 -0.009 0.000 1.034 3930 L CA -1.672 53.162 54.840 -0.010 0.000 0.806 3930 L CB 0.685 42.737 42.059 -0.012 0.000 1.244 3930 L HN 0.140 nan 8.230 nan 0.000 0.447 3931 P HA 0.011 nan 4.420 nan 0.000 0.265 3931 P C -0.657 176.641 177.300 -0.004 0.000 1.193 3931 P CA -0.259 62.839 63.100 -0.003 0.000 0.765 3931 P CB 0.394 32.093 31.700 -0.001 0.000 0.823 3932 E N 2.896 123.093 120.200 -0.004 0.000 2.480 3932 E HA -0.052 4.298 4.350 -0.001 0.000 0.258 3932 E C 0.690 177.289 176.600 -0.001 0.000 0.984 3932 E CA 0.953 57.350 56.400 -0.005 0.000 0.930 3932 E CB -0.321 29.376 29.700 -0.005 0.000 0.936 3932 E HN 0.533 nan 8.360 nan 0.000 0.466 3933 N N 2.103 120.803 118.700 -0.000 0.000 2.879 3933 N HA -0.188 4.551 4.740 -0.001 0.000 0.156 3933 N C -0.657 174.861 175.510 0.014 0.000 1.554 3933 N CA 0.889 53.944 53.050 0.007 0.000 2.252 3933 N CB -1.205 37.288 38.487 0.010 0.000 1.232 3933 N HN 0.542 nan 8.380 nan 0.000 0.861 3934 M N 1.663 121.269 119.600 0.009 0.000 2.249 3934 M HA 0.318 4.798 4.480 -0.001 0.000 0.351 3934 M C -0.763 175.540 176.300 0.004 0.000 1.180 3934 M CA -0.094 55.216 55.300 0.017 0.000 1.127 3934 M CB 0.595 33.201 32.600 0.010 0.000 1.546 3934 M HN -0.046 nan 8.290 nan 0.000 0.461 3935 K N 4.165 124.580 120.400 0.024 0.000 2.267 3935 K HA 0.613 4.933 4.320 -0.001 0.000 0.246 3935 K C -1.004 175.572 176.600 -0.040 0.000 0.954 3935 K CA -0.758 55.506 56.287 -0.039 0.000 0.824 3935 K CB 1.850 34.340 32.500 -0.017 0.000 1.167 3935 K HN 0.674 nan 8.250 nan 0.000 0.431 3936 R N 1.575 121.951 120.500 -0.206 0.000 2.686 3936 R HA 0.446 4.786 4.340 -0.001 0.000 0.286 3936 R C -0.905 175.167 176.300 -0.379 0.000 0.969 3936 R CA -0.753 55.266 56.100 -0.135 0.000 0.898 3936 R CB 1.274 31.534 30.300 -0.067 0.000 1.183 3936 R HN 0.558 nan 8.270 nan 0.000 0.456 3937 Y N 2.425 122.740 120.300 0.026 0.000 2.536 3937 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 3937 Y C 0.583 176.496 175.900 0.022 0.000 1.000 3937 Y CA -0.982 57.134 58.100 0.026 0.000 1.051 3937 Y CB 1.973 40.457 38.460 0.040 0.000 1.259 3937 Y HN 0.362 nan 8.280 nan 0.000 0.468 3938 M N 0.816 120.511 119.600 0.159 0.000 2.520 3938 M HA 0.783 5.263 4.480 -0.001 0.000 0.280 3938 M C 0.026 176.369 176.300 0.073 0.000 1.232 3938 M CA -0.241 55.113 55.300 0.089 0.000 0.892 3938 M CB 1.276 33.902 32.600 0.044 0.000 1.728 3938 M HN 0.891 nan 8.290 nan 0.000 0.475 3939 G N 2.728 111.558 108.800 0.050 0.000 2.561 3939 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.289 3939 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.289 3939 G C 0.672 175.591 174.900 0.031 0.000 1.169 3939 G CA 0.529 45.649 45.100 0.032 0.000 0.980 3939 G HN 0.841 nan 8.290 nan 0.000 0.550 3940 R N 1.083 121.596 120.500 0.023 0.000 2.152 3940 R HA -0.022 4.318 4.340 -0.001 0.000 0.232 3940 R C 2.102 178.421 176.300 0.032 0.000 1.117 3940 R CA 1.783 57.892 56.100 0.015 0.000 0.981 3940 R CB -0.794 29.510 30.300 0.007 0.000 0.870 3940 R HN 0.610 nan 8.270 nan 0.000 0.451 3941 D N 0.492 120.934 120.400 0.071 0.000 2.224 3941 D HA -0.031 4.608 4.640 -0.001 0.000 0.205 3941 D C 1.691 178.056 176.300 0.109 0.000 0.965 3941 D CA 1.155 55.230 54.000 0.125 0.000 0.852 3941 D CB -0.034 40.910 40.800 0.240 0.000 0.947 3941 D HN 0.168 nan 8.370 nan 0.000 0.494 3942 A N 0.655 123.539 122.820 0.108 0.000 1.929 3942 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 3942 A C 2.092 179.694 177.584 0.030 0.000 1.176 3942 A CA 0.990 53.084 52.037 0.094 0.000 0.628 3942 A CB -0.205 18.851 19.000 0.092 0.000 0.816 3942 A HN 0.036 nan 8.150 nan 0.000 0.444 3943 Q N -0.444 119.363 119.800 0.012 0.000 2.016 3943 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 3943 Q C 2.252 178.227 176.000 -0.041 0.000 0.978 3943 Q CA 1.893 57.689 55.803 -0.012 0.000 0.833 3943 Q CB -0.469 28.260 28.738 -0.015 0.000 0.895 3943 Q HN 0.631 nan 8.270 nan 0.000 0.427 3944 R N 0.915 121.385 120.500 -0.051 0.000 2.075 3944 R HA -0.031 4.308 4.340 -0.001 0.000 0.232 3944 R C 2.184 178.387 176.300 -0.161 0.000 1.126 3944 R CA 1.523 57.572 56.100 -0.085 0.000 0.963 3944 R CB -0.617 29.644 30.300 -0.065 0.000 0.858 3944 R HN 0.306 nan 8.270 nan 0.000 0.435 3945 M N 0.295 119.759 119.600 -0.227 0.000 2.082 3945 M HA -0.231 4.249 4.480 -0.001 0.000 0.258 3945 M C 1.018 177.150 176.300 -0.280 0.000 1.069 3945 M CA 2.103 57.188 55.300 -0.359 0.000 1.102 3945 M CB -0.264 32.099 32.600 -0.396 0.000 1.336 3945 M HN 0.178 nan 8.290 nan 0.000 0.404 3946 N N 0.753 119.354 118.700 -0.165 0.000 2.188 3946 N HA -0.101 4.639 4.740 -0.001 0.000 0.184 3946 N C 1.655 177.072 175.510 -0.155 0.000 1.018 3946 N CA 1.363 54.318 53.050 -0.158 0.000 0.858 3946 N CB -0.427 38.041 38.487 -0.032 0.000 0.989 3946 N HN 0.395 nan 8.380 nan 0.000 0.426 3947 I N 0.548 121.049 120.570 -0.115 0.000 2.315 3947 I HA -0.141 4.028 4.170 -0.001 0.000 0.248 3947 I C 1.848 177.897 176.117 -0.114 0.000 1.117 3947 I CA 0.683 61.929 61.300 -0.089 0.000 1.404 3947 I CB -0.829 37.135 38.000 -0.061 0.000 1.071 3947 I HN 0.053 nan 8.210 nan 0.000 0.419 3948 L N 0.998 122.130 121.223 -0.151 0.000 2.093 3948 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 3948 L C 2.722 179.488 176.870 -0.173 0.000 1.085 3948 L CA 1.810 56.558 54.840 -0.153 0.000 0.755 3948 L CB -1.337 40.615 42.059 -0.178 0.000 0.904 3948 L HN 0.167 nan 8.230 nan 0.000 0.435 3949 A N -0.551 122.113 122.820 -0.261 0.000 1.902 3949 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 3949 A C 2.404 179.886 177.584 -0.170 0.000 1.181 3949 A CA 1.698 53.558 52.037 -0.294 0.000 0.623 3949 A CB -1.278 17.356 19.000 -0.611 0.000 0.818 3949 A HN 0.432 nan 8.150 nan 0.000 0.443 3950 G N -0.718 107.997 108.800 -0.141 0.000 2.422 3950 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.218 3950 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.218 3950 G C 1.671 176.530 174.900 -0.069 0.000 1.140 3950 G CA 1.136 46.186 45.100 -0.083 0.000 0.775 3950 G HN 0.520 nan 8.290 nan 0.000 0.545 3951 R N 0.637 121.090 120.500 -0.078 0.000 2.092 3951 R HA 0.108 4.448 4.340 -0.001 0.000 0.231 3951 R C 2.400 178.665 176.300 -0.058 0.000 1.119 3951 R CA 0.987 57.049 56.100 -0.064 0.000 0.970 3951 R CB -0.649 29.613 30.300 -0.065 0.000 0.864 3951 R HN 0.427 nan 8.270 nan 0.000 0.440 3952 I N 0.101 120.631 120.570 -0.066 0.000 2.127 3952 I HA -0.293 3.877 4.170 -0.001 0.000 0.241 3952 I C 1.775 177.868 176.117 -0.041 0.000 1.075 3952 I CA 1.063 62.332 61.300 -0.052 0.000 1.334 3952 I CB -0.282 37.684 38.000 -0.056 0.000 1.040 3952 I HN 0.141 nan 8.210 nan 0.000 0.405 3953 I N 0.899 121.444 120.570 -0.042 0.000 2.233 3953 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 3953 I C 2.873 178.971 176.117 -0.032 0.000 1.093 3953 I CA 1.598 62.879 61.300 -0.031 0.000 1.380 3953 I CB -1.614 36.370 38.000 -0.027 0.000 1.067 3953 I HN 0.167 nan 8.210 nan 0.000 0.413 3954 A N 0.442 123.239 122.820 -0.038 0.000 1.940 3954 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 3954 A C 2.282 179.843 177.584 -0.038 0.000 1.176 3954 A CA 2.097 54.111 52.037 -0.038 0.000 0.631 3954 A CB -0.573 18.401 19.000 -0.043 0.000 0.814 3954 A HN 0.407 nan 8.150 nan 0.000 0.446 3955 E N -0.494 119.684 120.200 -0.038 0.000 2.107 3955 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 3955 E C 2.014 178.595 176.600 -0.031 0.000 0.982 3955 E CA 1.777 58.156 56.400 -0.035 0.000 0.809 3955 E CB -0.513 29.166 29.700 -0.035 0.000 0.756 3955 E HN 0.505 nan 8.360 nan 0.000 0.459 3956 T N 0.116 114.653 114.554 -0.029 0.000 2.746 3956 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 3956 T C 1.880 176.566 174.700 -0.025 0.000 1.039 3956 T CA 1.795 63.880 62.100 -0.025 0.000 1.142 3956 T CB -0.323 68.532 68.868 -0.022 0.000 0.866 3956 T HN 0.267 nan 8.240 nan 0.000 0.444 3957 V N 1.865 121.763 119.914 -0.026 0.000 2.649 3957 V HA 0.014 4.134 4.120 -0.001 0.000 0.248 3957 V C 2.346 178.422 176.094 -0.030 0.000 1.054 3957 V CA 1.309 63.593 62.300 -0.026 0.000 1.073 3957 V CB -0.890 30.918 31.823 -0.025 0.000 0.699 3957 V HN 0.480 nan 8.190 nan 0.000 0.463 3958 R N 2.693 123.173 120.500 -0.033 0.000 2.241 3958 R HA -0.061 4.278 4.340 -0.001 0.000 0.224 3958 R C 2.014 178.292 176.300 -0.037 0.000 1.101 3958 R CA 1.589 57.666 56.100 -0.038 0.000 0.995 3958 R CB -0.983 29.293 30.300 -0.041 0.000 0.870 3958 R HN 0.689 nan 8.270 nan 0.000 0.463 3959 S N 0.033 115.713 115.700 -0.033 0.000 2.522 3959 S HA -0.074 4.396 4.470 -0.001 0.000 0.227 3959 S C 1.693 176.273 174.600 -0.033 0.000 0.986 3959 S CA 0.684 58.864 58.200 -0.033 0.000 0.929 3959 S CB 0.079 63.261 63.200 -0.029 0.000 0.769 3959 S HN 0.550 nan 8.310 nan 0.000 0.529 3960 T N -0.943 113.593 114.554 -0.031 0.000 3.069 3960 T HA 0.353 4.702 4.350 -0.001 0.000 0.252 3960 T C 0.323 175.004 174.700 -0.033 0.000 1.053 3960 T CA -0.522 61.561 62.100 -0.029 0.000 0.964 3960 T CB -0.436 68.418 68.868 -0.023 0.000 1.005 3960 T HN 0.258 nan 8.240 nan 0.000 0.532 3961 L N 2.926 124.126 121.223 -0.038 0.000 2.462 3961 L HA 0.519 4.858 4.340 -0.001 0.000 0.272 3961 L C 0.703 177.542 176.870 -0.052 0.000 1.166 3961 L CA 1.608 56.423 54.840 -0.041 0.000 0.880 3961 L CB -0.749 41.284 42.059 -0.044 0.000 1.142 3961 L HN 0.697 nan 8.230 nan 0.000 0.473 3962 G N 4.399 113.169 108.800 -0.048 0.000 2.663 3962 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.686 3962 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.686 3962 G C -2.067 172.788 174.900 -0.075 0.000 1.288 3962 G CA -0.340 44.719 45.100 -0.068 0.000 0.836 3962 G HN 0.552 nan 8.290 nan 0.000 0.584 3963 P HA 0.004 nan 4.420 nan 0.000 0.222 3963 P C 1.121 178.328 177.300 -0.155 0.000 1.147 3963 P CA 1.228 64.266 63.100 -0.102 0.000 0.790 3963 P CB 0.112 31.726 31.700 -0.145 0.000 0.780 3964 K N -0.208 120.063 120.400 -0.214 0.000 2.372 3964 K HA 0.272 4.592 4.320 -0.001 0.000 0.200 3964 K C 1.171 177.711 176.600 -0.100 0.000 1.022 3964 K CA -0.140 56.047 56.287 -0.166 0.000 1.125 3964 K CB -0.110 32.263 32.500 -0.212 0.000 0.855 3964 K HN 0.067 nan 8.250 nan 0.000 0.524 3965 G N 0.226 108.977 108.800 -0.082 0.000 2.616 3965 G HA2 0.246 4.205 3.960 -0.001 0.000 0.268 3965 G HA3 0.246 4.205 3.960 -0.001 0.000 0.268 3965 G C 0.018 174.893 174.900 -0.041 0.000 1.213 3965 G CA -0.513 44.552 45.100 -0.057 0.000 0.926 3965 G HN -0.069 nan 8.290 nan 0.000 0.523 3966 M N -0.045 119.535 119.600 -0.034 0.000 2.531 3966 M HA 0.401 4.880 4.480 -0.001 0.000 0.262 3966 M C -0.232 176.056 176.300 -0.021 0.000 1.168 3966 M CA -0.677 54.608 55.300 -0.026 0.000 0.926 3966 M CB 1.115 33.700 32.600 -0.025 0.000 1.445 3966 M HN 0.726 nan 8.290 nan 0.000 0.531 3967 D N -0.590 119.799 120.400 -0.018 0.000 2.493 3967 D HA 0.562 5.201 4.640 -0.001 0.000 0.239 3967 D C -1.301 174.989 176.300 -0.017 0.000 1.049 3967 D CA -0.763 53.228 54.000 -0.016 0.000 1.008 3967 D CB 1.271 42.064 40.800 -0.013 0.000 1.398 3967 D HN 0.116 nan 8.370 nan 0.000 0.513 3968 K N 0.347 120.737 120.400 -0.016 0.000 2.259 3968 K HA 0.396 4.716 4.320 -0.001 0.000 0.252 3968 K C -0.949 175.641 176.600 -0.017 0.000 0.936 3968 K CA -0.719 55.558 56.287 -0.016 0.000 0.810 3968 K CB 1.969 34.461 32.500 -0.014 0.000 1.143 3968 K HN 0.677 nan 8.250 nan 0.000 0.427 3969 M N 4.061 123.650 119.600 -0.019 0.000 2.047 3969 M HA 0.253 4.732 4.480 -0.001 0.000 0.342 3969 M C -1.493 174.797 176.300 -0.017 0.000 1.058 3969 M CA -0.972 54.315 55.300 -0.022 0.000 0.991 3969 M CB 0.365 32.950 32.600 -0.026 0.000 1.474 3969 M HN 0.347 nan 8.290 nan 0.000 0.419 3970 L N 6.056 127.270 121.223 -0.015 0.000 2.272 3970 L HA 0.521 4.861 4.340 -0.001 0.000 0.289 3970 L C -0.796 176.067 176.870 -0.011 0.000 1.032 3970 L CA -0.252 54.581 54.840 -0.011 0.000 0.810 3970 L CB 1.667 43.721 42.059 -0.008 0.000 1.205 3970 L HN 0.414 nan 8.230 nan 0.000 0.422 3971 V N 2.816 122.725 119.914 -0.009 0.000 2.407 3971 V HA 0.370 4.490 4.120 -0.001 0.000 0.291 3971 V C -0.350 175.741 176.094 -0.004 0.000 1.018 3971 V CA -0.940 61.355 62.300 -0.009 0.000 0.842 3971 V CB 1.528 33.345 31.823 -0.010 0.000 0.996 3971 V HN 0.806 nan 8.190 nan 0.000 0.426 3972 D N 2.246 122.645 120.400 -0.002 0.000 2.478 3972 D HA 0.094 4.733 4.640 -0.001 0.000 0.269 3972 D C 0.887 177.187 176.300 0.000 0.000 1.232 3972 D CA -0.495 53.505 54.000 -0.000 0.000 1.059 3972 D CB 0.704 41.505 40.800 0.001 0.000 1.104 3972 D HN 0.400 nan 8.370 nan 0.000 0.566 3973 D N -1.741 118.660 120.400 0.001 0.000 2.264 3973 D HA -0.088 4.552 4.640 -0.001 0.000 0.208 3973 D C 1.450 177.751 176.300 0.002 0.000 0.966 3973 D CA 0.622 54.623 54.000 0.002 0.000 0.864 3973 D CB 0.002 40.803 40.800 0.002 0.000 0.933 3973 D HN 0.185 nan 8.370 nan 0.000 0.499 3974 L N -1.006 120.218 121.223 0.003 0.000 2.558 3974 L HA 0.351 4.691 4.340 -0.001 0.000 0.225 3974 L C 1.952 178.824 176.870 0.004 0.000 1.128 3974 L CA 0.910 55.752 54.840 0.004 0.000 0.868 3974 L CB 0.145 42.207 42.059 0.004 0.000 1.006 3974 L HN 0.255 nan 8.230 nan 0.000 0.454 3975 G N -1.321 107.481 108.800 0.003 0.000 2.179 3975 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.220 3975 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.220 3975 G C 0.244 175.145 174.900 0.002 0.000 0.990 3975 G CA 0.101 45.202 45.100 0.002 0.000 0.646 3975 G HN 0.322 nan 8.290 nan 0.000 0.517 3976 D N 1.166 121.568 120.400 0.003 0.000 2.382 3976 D HA 0.393 5.033 4.640 -0.001 0.000 0.259 3976 D C 0.415 176.714 176.300 -0.003 0.000 1.224 3976 D CA 0.163 54.166 54.000 0.005 0.000 0.894 3976 D CB 1.098 41.903 40.800 0.008 0.000 1.127 3976 D HN 0.194 nan 8.370 nan 0.000 0.487 3977 V N 4.992 124.900 119.914 -0.009 0.000 2.347 3977 V HA 0.280 4.400 4.120 -0.001 0.000 0.280 3977 V C 0.129 176.205 176.094 -0.029 0.000 1.021 3977 V CA -0.794 61.491 62.300 -0.025 0.000 0.847 3977 V CB 1.581 33.379 31.823 -0.043 0.000 0.990 3977 V HN 0.333 nan 8.190 nan 0.000 0.444 3978 V N 6.043 125.944 119.914 -0.022 0.000 2.378 3978 V HA 0.449 4.569 4.120 -0.001 0.000 0.288 3978 V C -0.222 175.858 176.094 -0.022 0.000 1.016 3978 V CA -0.561 61.729 62.300 -0.017 0.000 0.840 3978 V CB 1.943 33.763 31.823 -0.004 0.000 0.994 3978 V HN 0.589 nan 8.190 nan 0.000 0.431 3979 V N 4.446 124.343 119.914 -0.029 0.000 2.357 3979 V HA 0.769 4.889 4.120 -0.001 0.000 0.284 3979 V C 0.103 176.188 176.094 -0.014 0.000 1.018 3979 V CA 0.019 62.302 62.300 -0.028 0.000 0.841 3979 V CB 1.588 33.385 31.823 -0.044 0.000 0.991 3979 V HN 0.976 nan 8.190 nan 0.000 0.437 3980 T N 2.640 117.188 114.554 -0.011 0.000 2.739 3980 T HA 0.305 4.655 4.350 -0.001 0.000 0.303 3980 T C 0.129 174.825 174.700 -0.007 0.000 1.389 3980 T CA -0.360 61.737 62.100 -0.005 0.000 1.001 3980 T CB 2.058 70.926 68.868 -0.001 0.000 1.436 3980 T HN 0.601 nan 8.240 nan 0.000 0.500 3981 N N 0.326 119.024 118.700 -0.004 0.000 2.210 3981 N HA 0.085 4.825 4.740 -0.001 0.000 0.203 3981 N C -0.778 174.728 175.510 -0.006 0.000 1.175 3981 N CA -0.019 53.028 53.050 -0.006 0.000 0.894 3981 N CB 0.444 38.928 38.487 -0.004 0.000 1.041 3981 N HN 0.552 nan 8.380 nan 0.000 0.506 3982 D N 0.358 120.756 120.400 -0.003 0.000 2.450 3982 D HA 0.093 4.733 4.640 -0.001 0.000 0.247 3982 D C 1.282 177.579 176.300 -0.004 0.000 1.162 3982 D CA 0.174 54.173 54.000 -0.002 0.000 0.879 3982 D CB 1.274 42.075 40.800 0.001 0.000 1.163 3982 D HN 0.290 nan 8.370 nan 0.000 0.472 3983 G N 1.658 110.454 108.800 -0.006 0.000 2.414 3983 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 3983 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 3983 G C 1.496 176.393 174.900 -0.005 0.000 1.188 3983 G CA 0.304 45.399 45.100 -0.008 0.000 0.783 3983 G HN 0.453 nan 8.290 nan 0.000 0.537 3984 V N 0.825 120.737 119.914 -0.003 0.000 2.515 3984 V HA -0.102 4.018 4.120 -0.001 0.000 0.250 3984 V C 2.969 179.063 176.094 0.000 0.000 1.058 3984 V CA 2.738 65.038 62.300 -0.001 0.000 1.064 3984 V CB -0.562 31.261 31.823 0.001 0.000 0.675 3984 V HN 0.401 nan 8.190 nan 0.000 0.461 3985 T N 0.564 115.118 114.554 0.000 0.000 2.777 3985 T HA -0.076 4.274 4.350 -0.001 0.000 0.266 3985 T C 1.752 176.452 174.700 -0.000 0.000 1.040 3985 T CA 1.968 64.069 62.100 0.001 0.000 1.141 3985 T CB -0.257 68.612 68.868 0.001 0.000 0.868 3985 T HN 0.461 nan 8.240 nan 0.000 0.444 3986 I N 0.627 121.196 120.570 -0.002 0.000 2.208 3986 I HA -0.145 4.024 4.170 -0.001 0.000 0.245 3986 I C 1.981 178.097 176.117 -0.002 0.000 1.097 3986 I CA 0.943 62.241 61.300 -0.003 0.000 1.363 3986 I CB -0.264 37.732 38.000 -0.006 0.000 1.051 3986 I HN 0.162 nan 8.210 nan 0.000 0.413 3987 L N 0.172 121.394 121.223 -0.001 0.000 2.217 3987 L HA -0.079 4.261 4.340 -0.001 0.000 0.211 3987 L C 2.458 179.330 176.870 0.004 0.000 1.107 3987 L CA 1.560 56.401 54.840 0.001 0.000 0.783 3987 L CB -0.752 41.308 42.059 0.001 0.000 0.919 3987 L HN 0.104 nan 8.230 nan 0.000 0.442 3988 R N -1.069 119.433 120.500 0.003 0.000 2.100 3988 R HA -0.035 4.305 4.340 -0.001 0.000 0.220 3988 R C 1.963 178.265 176.300 0.004 0.000 1.091 3988 R CA 0.662 56.765 56.100 0.004 0.000 0.986 3988 R CB 0.002 30.304 30.300 0.004 0.000 0.888 3988 R HN 0.273 nan 8.270 nan 0.000 0.444 3989 E N 0.984 121.186 120.200 0.003 0.000 2.086 3989 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 3989 E C 1.283 177.885 176.600 0.002 0.000 0.975 3989 E CA 0.561 56.962 56.400 0.002 0.000 0.813 3989 E CB -0.105 29.596 29.700 0.001 0.000 0.768 3989 E HN 0.333 nan 8.360 nan 0.000 0.457 3990 M N -0.211 119.390 119.600 0.002 0.000 2.184 3990 M HA 0.099 4.579 4.480 -0.001 0.000 0.296 3990 M C 0.518 176.821 176.300 0.005 0.000 1.165 3990 M CA 0.359 55.660 55.300 0.002 0.000 1.175 3990 M CB 0.480 33.081 32.600 0.001 0.000 1.392 3990 M HN -0.239 nan 8.290 nan 0.000 0.457 3991 S N 1.534 117.238 115.700 0.007 0.000 2.466 3991 S HA 0.490 4.960 4.470 -0.001 0.000 0.313 3991 S C -0.894 173.715 174.600 0.015 0.000 1.078 3991 S CA -0.805 57.401 58.200 0.010 0.000 1.115 3991 S CB -0.015 63.190 63.200 0.010 0.000 1.006 3991 S HN 0.508 nan 8.310 nan 0.000 0.487 3992 V N 5.733 125.658 119.914 0.018 0.000 2.439 3992 V HA 0.425 4.545 4.120 -0.001 0.000 0.282 3992 V C 0.611 176.726 176.094 0.035 0.000 1.039 3992 V CA -0.404 61.913 62.300 0.028 0.000 0.913 3992 V CB 1.621 33.461 31.823 0.027 0.000 0.983 3992 V HN 0.793 nan 8.190 nan 0.000 0.460 3993 E N 1.148 121.379 120.200 0.052 0.000 2.228 3993 E HA 0.091 4.441 4.350 -0.001 0.000 0.197 3993 E C 0.722 177.357 176.600 0.058 0.000 0.909 3993 E CA 0.113 56.540 56.400 0.046 0.000 0.911 3993 E CB -0.004 29.722 29.700 0.044 0.000 0.887 3993 E HN 0.693 nan 8.360 nan 0.000 0.481 3994 H N 2.731 121.805 119.070 0.006 0.000 2.803 3994 H HA 0.043 4.599 4.556 -0.001 0.000 0.330 3994 H C -1.713 173.618 175.328 0.005 0.000 1.057 3994 H CA -1.412 54.640 56.048 0.007 0.000 1.458 3994 H CB 1.529 31.291 29.762 -0.001 0.000 1.470 3994 H HN -0.207 nan 8.280 nan 0.000 0.560 3995 P HA -0.147 nan 4.420 nan 0.000 0.216 3995 P C 1.076 178.485 177.300 0.183 0.000 1.150 3995 P CA 2.025 65.159 63.100 0.058 0.000 0.843 3995 P CB 0.118 31.793 31.700 -0.042 0.000 0.787 3996 A N 0.014 123.097 122.820 0.440 0.000 1.877 3996 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 3996 A C 2.329 179.963 177.584 0.082 0.000 1.186 3996 A CA 2.079 54.235 52.037 0.198 0.000 0.620 3996 A CB -1.567 17.459 19.000 0.043 0.000 0.822 3996 A HN 0.201 nan 8.150 nan 0.000 0.443 3997 A N -0.367 122.503 122.820 0.083 0.000 1.969 3997 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 3997 A C 2.078 179.688 177.584 0.043 0.000 1.169 3997 A CA 1.658 53.715 52.037 0.033 0.000 0.635 3997 A CB -0.359 18.657 19.000 0.027 0.000 0.810 3997 A HN 0.543 nan 8.150 nan 0.000 0.445 3998 K N -0.957 119.482 120.400 0.065 0.000 2.097 3998 K HA -0.034 4.285 4.320 -0.001 0.000 0.205 3998 K C 1.855 178.476 176.600 0.035 0.000 1.050 3998 K CA 1.293 57.605 56.287 0.043 0.000 0.938 3998 K CB -0.190 32.334 32.500 0.041 0.000 0.718 3998 K HN 0.347 nan 8.250 nan 0.000 0.442 3999 M N 0.624 120.249 119.600 0.041 0.000 2.288 3999 M HA -0.052 4.428 4.480 -0.001 0.000 0.266 3999 M C 2.168 178.482 176.300 0.024 0.000 1.072 3999 M CA 1.034 56.353 55.300 0.032 0.000 1.132 3999 M CB -0.669 31.953 32.600 0.037 0.000 1.386 3999 M HN 0.200 nan 8.290 nan 0.000 0.432 4000 L N 0.369 121.605 121.223 0.021 0.000 2.046 4000 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 4000 L C 2.224 179.099 176.870 0.009 0.000 1.077 4000 L CA 1.224 56.070 54.840 0.010 0.000 0.747 4000 L CB -0.174 41.885 42.059 0.001 0.000 0.896 4000 L HN 0.156 nan 8.230 nan 0.000 0.432 4001 I N -0.334 120.243 120.570 0.012 0.000 2.208 4001 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 4001 I C 2.468 178.591 176.117 0.010 0.000 1.097 4001 I CA 1.052 62.358 61.300 0.009 0.000 1.363 4001 I CB -0.404 37.604 38.000 0.012 0.000 1.051 4001 I HN 0.310 nan 8.210 nan 0.000 0.413 4002 E N 0.469 120.676 120.200 0.013 0.000 2.118 4002 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 4002 E C 2.419 179.026 176.600 0.011 0.000 0.992 4002 E CA 1.162 57.570 56.400 0.012 0.000 0.804 4002 E CB -0.260 29.449 29.700 0.015 0.000 0.741 4002 E HN 0.367 nan 8.360 nan 0.000 0.458 4003 V N 1.467 121.388 119.914 0.011 0.000 2.358 4003 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 4003 V C 2.461 178.559 176.094 0.006 0.000 1.047 4003 V CA 1.714 64.020 62.300 0.010 0.000 1.035 4003 V CB -0.807 31.022 31.823 0.009 0.000 0.658 4003 V HN 0.239 nan 8.190 nan 0.000 0.452 4004 A N -0.318 122.504 122.820 0.004 0.000 1.933 4004 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 4004 A C 2.283 179.869 177.584 0.003 0.000 1.175 4004 A CA 1.820 53.858 52.037 0.001 0.000 0.628 4004 A CB -0.400 18.600 19.000 -0.000 0.000 0.814 4004 A HN 0.543 nan 8.150 nan 0.000 0.444 4005 K N -0.929 119.474 120.400 0.005 0.000 2.155 4005 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 4005 K C 1.970 178.573 176.600 0.006 0.000 1.052 4005 K CA 1.514 57.804 56.287 0.005 0.000 0.948 4005 K CB -0.279 32.225 32.500 0.006 0.000 0.728 4005 K HN 0.460 nan 8.250 nan 0.000 0.448 4006 T N 1.190 115.748 114.554 0.007 0.000 2.777 4006 T HA -0.181 4.168 4.350 -0.001 0.000 0.266 4006 T C 1.830 176.534 174.700 0.007 0.000 1.040 4006 T CA 1.359 63.464 62.100 0.008 0.000 1.141 4006 T CB -0.128 68.746 68.868 0.010 0.000 0.868 4006 T HN 0.179 nan 8.240 nan 0.000 0.444 4007 Q N 1.394 121.197 119.800 0.005 0.000 2.096 4007 Q HA -0.127 4.212 4.340 -0.001 0.000 0.204 4007 Q C 2.099 178.101 176.000 0.004 0.000 0.982 4007 Q CA 1.919 57.725 55.803 0.004 0.000 0.850 4007 Q CB -0.263 28.475 28.738 0.001 0.000 0.901 4007 Q HN 0.679 nan 8.270 nan 0.000 0.422 4008 E N -0.743 119.459 120.200 0.003 0.000 2.072 4008 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 4008 E C 1.589 178.191 176.600 0.004 0.000 0.985 4008 E CA 0.970 57.372 56.400 0.003 0.000 0.801 4008 E CB 0.063 29.765 29.700 0.003 0.000 0.750 4008 E HN 0.139 nan 8.360 nan 0.000 0.452 4009 K N 0.374 120.776 120.400 0.004 0.000 2.147 4009 K HA -0.115 4.204 4.320 -0.001 0.000 0.205 4009 K C 1.939 178.542 176.600 0.005 0.000 1.049 4009 K CA 0.997 57.287 56.287 0.005 0.000 0.936 4009 K CB 0.028 32.531 32.500 0.005 0.000 0.722 4009 K HN 0.239 nan 8.250 nan 0.000 0.446 4010 E N -0.011 120.192 120.200 0.006 0.000 2.045 4010 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 4010 E C 2.228 178.831 176.600 0.006 0.000 0.968 4010 E CA 0.758 57.162 56.400 0.006 0.000 0.813 4010 E CB -0.048 29.657 29.700 0.008 0.000 0.780 4010 E HN -0.025 nan 8.360 nan 0.000 0.455 4011 V N -0.789 119.128 119.914 0.006 0.000 2.788 4011 V HA 0.207 4.327 4.120 -0.001 0.000 0.241 4011 V C 1.679 177.776 176.094 0.005 0.000 1.083 4011 V CA 1.160 63.464 62.300 0.006 0.000 1.103 4011 V CB 0.278 32.104 31.823 0.005 0.000 0.800 4011 V HN 0.509 nan 8.190 nan 0.000 0.476 4012 G N 0.295 109.098 108.800 0.004 0.000 4.677 4012 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.215 4012 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.215 4012 G C 0.168 175.070 174.900 0.004 0.000 1.506 4012 G CA 0.326 45.429 45.100 0.004 0.000 1.016 4012 G HN 0.481 nan 8.290 nan 0.000 0.653 4013 D N 1.667 122.070 120.400 0.005 0.000 2.377 4013 D HA 0.486 5.125 4.640 -0.001 0.000 0.245 4013 D C 1.482 177.784 176.300 0.003 0.000 1.196 4013 D CA 1.589 55.593 54.000 0.005 0.000 0.962 4013 D CB 0.390 41.195 40.800 0.008 0.000 1.127 4013 D HN 1.800 nan 8.370 nan 0.000 0.471 4014 G N 0.231 109.031 108.800 0.001 0.000 2.147 4014 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.244 4014 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.244 4014 G C 1.020 175.915 174.900 -0.007 0.000 1.005 4014 G CA 1.326 46.424 45.100 -0.004 0.000 0.713 4014 G HN 0.658 nan 8.290 nan 0.000 0.515 4015 T N -3.389 111.161 114.554 -0.006 0.000 2.833 4015 T HA -0.083 4.266 4.350 -0.001 0.000 0.269 4015 T C 2.202 176.895 174.700 -0.012 0.000 1.054 4015 T CA 2.461 64.557 62.100 -0.007 0.000 1.135 4015 T CB -0.366 68.499 68.868 -0.005 0.000 0.869 4015 T HN 0.308 nan 8.240 nan 0.000 0.466 4016 T N 1.883 116.428 114.554 -0.015 0.000 2.732 4016 T HA -0.044 4.305 4.350 -0.001 0.000 0.261 4016 T C 2.294 176.978 174.700 -0.027 0.000 1.040 4016 T CA 1.694 63.782 62.100 -0.021 0.000 1.145 4016 T CB -0.923 67.932 68.868 -0.022 0.000 0.866 4016 T HN 0.471 nan 8.240 nan 0.000 0.427 4017 T N 2.331 116.869 114.554 -0.026 0.000 2.665 4017 T HA -0.129 4.221 4.350 -0.001 0.000 0.268 4017 T C 2.364 177.041 174.700 -0.038 0.000 1.035 4017 T CA 1.358 63.438 62.100 -0.034 0.000 1.151 4017 T CB -0.645 68.205 68.868 -0.029 0.000 0.862 4017 T HN 0.424 nan 8.240 nan 0.000 0.438 4018 A N 0.787 123.590 122.820 -0.030 0.000 1.908 4018 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 4018 A C 2.596 180.160 177.584 -0.034 0.000 1.181 4018 A CA 1.620 53.640 52.037 -0.029 0.000 0.627 4018 A CB -0.975 18.015 19.000 -0.017 0.000 0.818 4018 A HN 0.384 nan 8.150 nan 0.000 0.445 4019 V N -0.604 119.292 119.914 -0.030 0.000 2.453 4019 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 4019 V C 2.545 178.613 176.094 -0.043 0.000 1.048 4019 V CA 1.711 63.992 62.300 -0.031 0.000 1.049 4019 V CB -0.592 31.216 31.823 -0.026 0.000 0.672 4019 V HN 0.365 nan 8.190 nan 0.000 0.457 4020 V N -0.196 119.690 119.914 -0.047 0.000 2.343 4020 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 4020 V C 2.438 178.488 176.094 -0.074 0.000 1.051 4020 V CA 1.877 64.144 62.300 -0.056 0.000 1.036 4020 V CB -0.415 31.376 31.823 -0.055 0.000 0.654 4020 V HN 0.400 nan 8.190 nan 0.000 0.451 4021 V N 0.359 120.223 119.914 -0.083 0.000 2.295 4021 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 4021 V C 2.704 178.721 176.094 -0.128 0.000 1.049 4021 V CA 2.105 64.334 62.300 -0.118 0.000 1.024 4021 V CB -1.123 30.627 31.823 -0.121 0.000 0.648 4021 V HN 0.562 nan 8.190 nan 0.000 0.447 4022 A N 0.326 123.092 122.820 -0.089 0.000 1.972 4022 A HA -0.049 4.271 4.320 -0.001 0.000 0.219 4022 A C 2.375 179.924 177.584 -0.058 0.000 1.169 4022 A CA 1.794 53.791 52.037 -0.068 0.000 0.635 4022 A CB -1.066 17.913 19.000 -0.035 0.000 0.810 4022 A HN 0.534 nan 8.150 nan 0.000 0.446 4023 G N -0.372 108.393 108.800 -0.059 0.000 2.404 4023 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.215 4023 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.215 4023 G C 1.483 176.350 174.900 -0.054 0.000 1.174 4023 G CA 1.275 46.345 45.100 -0.050 0.000 0.780 4023 G HN 0.544 nan 8.290 nan 0.000 0.537 4024 E N -0.002 120.154 120.200 -0.074 0.000 2.152 4024 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 4024 E C 2.284 178.833 176.600 -0.086 0.000 0.983 4024 E CA 0.371 56.724 56.400 -0.078 0.000 0.818 4024 E CB -0.407 29.235 29.700 -0.098 0.000 0.758 4024 E HN 0.258 nan 8.360 nan 0.000 0.467 4025 L N 0.111 121.258 121.223 -0.126 0.000 2.083 4025 L HA -0.068 4.271 4.340 -0.001 0.000 0.209 4025 L C 2.025 178.893 176.870 -0.004 0.000 1.083 4025 L CA 1.587 56.328 54.840 -0.165 0.000 0.752 4025 L CB -0.411 41.500 42.059 -0.246 0.000 0.899 4025 L HN 0.256 nan 8.230 nan 0.000 0.433 4026 L N -1.165 120.066 121.223 0.013 0.000 2.093 4026 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 4026 L C 2.732 179.627 176.870 0.042 0.000 1.085 4026 L CA 0.977 55.849 54.840 0.054 0.000 0.755 4026 L CB -0.446 41.623 42.059 0.017 0.000 0.904 4026 L HN 0.216 nan 8.230 nan 0.000 0.435 4027 R N -0.122 120.384 120.500 0.009 0.000 2.081 4027 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 4027 R C 2.284 178.601 176.300 0.028 0.000 1.131 4027 R CA 0.924 57.026 56.100 0.004 0.000 0.960 4027 R CB -0.143 30.147 30.300 -0.017 0.000 0.856 4027 R HN 0.217 nan 8.270 nan 0.000 0.436 4028 K N 0.374 120.802 120.400 0.046 0.000 2.148 4028 K HA -0.027 4.293 4.320 -0.001 0.000 0.204 4028 K C 2.024 178.722 176.600 0.163 0.000 1.050 4028 K CA 1.194 57.535 56.287 0.090 0.000 0.942 4028 K CB -0.158 32.390 32.500 0.080 0.000 0.724 4028 K HN 0.142 nan 8.250 nan 0.000 0.446 4029 A N 1.605 124.557 122.820 0.219 0.000 1.898 4029 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 4029 A C 2.137 179.757 177.584 0.059 0.000 1.181 4029 A CA 1.369 53.513 52.037 0.178 0.000 0.620 4029 A CB -0.288 18.850 19.000 0.230 0.000 0.819 4029 A HN 0.247 nan 8.150 nan 0.000 0.442 4030 E N 0.268 120.495 120.200 0.046 0.000 2.150 4030 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 4030 E C 1.776 178.381 176.600 0.010 0.000 0.985 4030 E CA 1.280 57.688 56.400 0.012 0.000 0.814 4030 E CB -0.150 29.550 29.700 0.001 0.000 0.752 4030 E HN 0.762 nan 8.360 nan 0.000 0.466 4031 E N 0.209 120.422 120.200 0.023 0.000 2.106 4031 E HA -0.118 4.231 4.350 -0.001 0.000 0.192 4031 E C 2.345 178.956 176.600 0.019 0.000 0.984 4031 E CA 0.686 57.098 56.400 0.019 0.000 0.806 4031 E CB -0.007 29.708 29.700 0.026 0.000 0.750 4031 E HN 0.252 nan 8.360 nan 0.000 0.458 4032 L N 0.308 121.547 121.223 0.027 0.000 2.046 4032 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 4032 L C 2.225 179.089 176.870 -0.009 0.000 1.077 4032 L CA 0.506 55.353 54.840 0.012 0.000 0.747 4032 L CB -0.238 41.825 42.059 0.006 0.000 0.896 4032 L HN 0.168 nan 8.230 nan 0.000 0.432 4033 L N -0.179 121.032 121.223 -0.019 0.000 2.093 4033 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 4033 L C 2.105 178.962 176.870 -0.023 0.000 1.085 4033 L CA 1.720 56.539 54.840 -0.035 0.000 0.755 4033 L CB -0.787 41.247 42.059 -0.041 0.000 0.904 4033 L HN 0.247 nan 8.230 nan 0.000 0.435 4034 D N -1.279 119.115 120.400 -0.011 0.000 2.144 4034 D HA -0.171 4.468 4.640 -0.001 0.000 0.200 4034 D C 1.791 178.090 176.300 -0.002 0.000 0.978 4034 D CA 0.774 54.771 54.000 -0.006 0.000 0.833 4034 D CB 0.162 40.960 40.800 -0.002 0.000 0.961 4034 D HN 0.224 nan 8.370 nan 0.000 0.470 4035 Q N 0.083 119.884 119.800 0.001 0.000 2.466 4035 Q HA 0.010 4.349 4.340 -0.001 0.000 0.210 4035 Q C 0.208 176.210 176.000 0.004 0.000 0.961 4035 Q CA 0.193 55.999 55.803 0.005 0.000 0.953 4035 Q CB -0.080 28.665 28.738 0.011 0.000 1.011 4035 Q HN 0.319 nan 8.270 nan 0.000 0.516 4036 N N -0.618 118.081 118.700 -0.002 0.000 2.776 4036 N HA -0.154 4.586 4.740 -0.001 0.000 0.249 4036 N C -1.322 174.193 175.510 0.008 0.000 1.111 4036 N CA 0.300 53.350 53.050 0.000 0.000 0.711 4036 N CB -1.150 37.342 38.487 0.008 0.000 1.065 4036 N HN -0.025 nan 8.380 nan 0.000 0.556 4037 V N 1.926 121.840 119.914 -0.001 0.000 2.385 4037 V HA 0.126 4.245 4.120 -0.001 0.000 0.269 4037 V C 0.935 177.029 176.094 0.000 0.000 1.043 4037 V CA -0.729 61.577 62.300 0.009 0.000 0.906 4037 V CB 1.016 32.836 31.823 -0.005 0.000 0.995 4037 V HN 0.327 nan 8.190 nan 0.000 0.467 4038 H N 8.339 127.389 119.070 -0.032 0.000 3.034 4038 H HA 0.040 4.596 4.556 -0.001 0.000 0.324 4038 H C -1.685 173.612 175.328 -0.052 0.000 1.015 4038 H CA -1.220 54.807 56.048 -0.034 0.000 1.429 4038 H CB 1.644 31.390 29.762 -0.028 0.000 1.429 4038 H HN 0.380 nan 8.280 nan 0.000 0.585 4039 P HA -0.177 nan 4.420 nan 0.000 0.217 4039 P C 1.522 178.852 177.300 0.050 0.000 1.148 4039 P CA 1.798 64.834 63.100 -0.106 0.000 0.834 4039 P CB 0.069 31.665 31.700 -0.174 0.000 0.783 4040 T N -1.743 113.003 114.554 0.321 0.000 2.915 4040 T HA -0.078 4.271 4.350 -0.001 0.000 0.269 4040 T C 1.572 176.296 174.700 0.040 0.000 1.071 4040 T CA 0.756 62.947 62.100 0.152 0.000 1.132 4040 T CB -0.515 68.403 68.868 0.084 0.000 0.878 4040 T HN -0.149 nan 8.240 nan 0.000 0.479 4041 I N 0.721 121.320 120.570 0.049 0.000 2.333 4041 I HA -0.014 4.155 4.170 -0.001 0.000 0.246 4041 I C 2.539 178.594 176.117 -0.105 0.000 1.106 4041 I CA 0.815 62.103 61.300 -0.019 0.000 1.411 4041 I CB -1.316 36.687 38.000 0.004 0.000 1.082 4041 I HN 0.151 nan 8.210 nan 0.000 0.420 4042 V N 0.736 120.550 119.914 -0.167 0.000 2.343 4042 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 4042 V C 2.700 178.468 176.094 -0.542 0.000 1.051 4042 V CA 1.306 63.350 62.300 -0.427 0.000 1.036 4042 V CB -0.558 31.028 31.823 -0.395 0.000 0.654 4042 V HN 0.167 nan 8.190 nan 0.000 0.451 4043 V N 0.057 119.822 119.914 -0.249 0.000 2.261 4043 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 4043 V C 2.485 178.540 176.094 -0.066 0.000 1.047 4043 V CA 2.380 64.611 62.300 -0.116 0.000 1.015 4043 V CB -0.673 31.128 31.823 -0.037 0.000 0.642 4043 V HN 0.530 nan 8.190 nan 0.000 0.446 4044 K N 1.115 121.476 120.400 -0.065 0.000 2.026 4044 K HA -0.106 4.214 4.320 -0.001 0.000 0.208 4044 K C 2.051 178.628 176.600 -0.039 0.000 1.048 4044 K CA 1.947 58.210 56.287 -0.040 0.000 0.929 4044 K CB -1.168 31.311 32.500 -0.035 0.000 0.713 4044 K HN 0.387 nan 8.250 nan 0.000 0.439 4045 G N -0.810 107.959 108.800 -0.050 0.000 2.418 4045 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 4045 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 4045 G C 1.210 176.145 174.900 0.058 0.000 1.158 4045 G CA 0.836 45.939 45.100 0.005 0.000 0.771 4045 G HN 0.268 nan 8.290 nan 0.000 0.545 4046 Y N 0.404 120.628 120.300 -0.128 0.000 2.200 4046 Y HA -0.044 4.505 4.550 -0.001 0.000 0.290 4046 Y C 2.891 178.545 175.900 -0.409 0.000 1.137 4046 Y CA 1.076 59.016 58.100 -0.267 0.000 1.163 4046 Y CB -0.946 37.545 38.460 0.052 0.000 0.988 4046 Y HN 0.270 nan 8.280 nan 0.000 0.518 4047 Q N 0.320 120.108 119.800 -0.019 0.000 2.123 4047 Q HA -0.030 4.309 4.340 -0.001 0.000 0.199 4047 Q C 2.290 178.219 176.000 -0.118 0.000 0.966 4047 Q CA 1.527 57.299 55.803 -0.052 0.000 0.845 4047 Q CB -0.403 28.330 28.738 -0.008 0.000 0.907 4047 Q HN 0.328 nan 8.270 nan 0.000 0.439 4048 A N 0.271 123.019 122.820 -0.120 0.000 1.855 4048 A HA -0.005 4.314 4.320 -0.001 0.000 0.215 4048 A C 2.278 179.769 177.584 -0.156 0.000 1.191 4048 A CA 1.860 53.834 52.037 -0.106 0.000 0.613 4048 A CB -1.195 17.765 19.000 -0.066 0.000 0.829 4048 A HN 0.494 nan 8.150 nan 0.000 0.442 4049 A N -0.320 122.317 122.820 -0.306 0.000 1.930 4049 A HA 0.232 4.552 4.320 -0.001 0.000 0.217 4049 A C 2.458 179.792 177.584 -0.416 0.000 1.175 4049 A CA 1.873 53.682 52.037 -0.380 0.000 0.627 4049 A CB -0.904 17.732 19.000 -0.608 0.000 0.815 4049 A HN 1.028 nan 8.150 nan 0.000 0.443 4050 A N -1.075 121.366 122.820 -0.632 0.000 1.930 4050 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 4050 A C 2.098 179.662 177.584 -0.033 0.000 1.175 4050 A CA 1.544 53.473 52.037 -0.180 0.000 0.627 4050 A CB -0.399 18.545 19.000 -0.093 0.000 0.815 4050 A HN 0.481 nan 8.150 nan 0.000 0.443 4051 Q N -0.071 119.692 119.800 -0.063 0.000 2.119 4051 Q HA -0.111 4.228 4.340 -0.001 0.000 0.201 4051 Q C 1.752 177.760 176.000 0.013 0.000 0.972 4051 Q CA 1.211 57.004 55.803 -0.017 0.000 0.847 4051 Q CB -0.268 28.451 28.738 -0.031 0.000 0.903 4051 Q HN 0.516 nan 8.270 nan 0.000 0.433 4052 K N 0.229 120.645 120.400 0.028 0.000 2.167 4052 K HA 0.099 4.419 4.320 -0.001 0.000 0.203 4052 K C 1.946 178.635 176.600 0.148 0.000 1.052 4052 K CA 0.802 57.149 56.287 0.100 0.000 0.956 4052 K CB -0.104 32.503 32.500 0.179 0.000 0.735 4052 K HN 0.113 nan 8.250 nan 0.000 0.451 4053 A N 1.576 124.475 122.820 0.132 0.000 1.902 4053 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 4053 A C 2.131 179.779 177.584 0.107 0.000 1.181 4053 A CA 1.376 53.502 52.037 0.148 0.000 0.623 4053 A CB -0.382 18.755 19.000 0.229 0.000 0.818 4053 A HN 0.351 nan 8.150 nan 0.000 0.443 4054 Q N -0.881 118.971 119.800 0.087 0.000 2.172 4054 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 4054 Q C 1.882 177.916 176.000 0.057 0.000 0.964 4054 Q CA 1.099 56.940 55.803 0.064 0.000 0.855 4054 Q CB -0.089 28.679 28.738 0.051 0.000 0.918 4054 Q HN 0.581 nan 8.270 nan 0.000 0.444 4055 E N 0.530 120.767 120.200 0.062 0.000 2.110 4055 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 4055 E C 1.948 178.593 176.600 0.075 0.000 0.988 4055 E CA 0.799 57.234 56.400 0.058 0.000 0.804 4055 E CB 0.005 29.736 29.700 0.052 0.000 0.745 4055 E HN 0.218 nan 8.360 nan 0.000 0.458 4056 L N 0.455 121.738 121.223 0.100 0.000 2.093 4056 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 4056 L C 2.423 179.335 176.870 0.069 0.000 1.085 4056 L CA 1.122 56.022 54.840 0.100 0.000 0.755 4056 L CB -0.820 41.305 42.059 0.111 0.000 0.904 4056 L HN 0.095 nan 8.230 nan 0.000 0.435 4057 L N -1.030 120.230 121.223 0.062 0.000 2.093 4057 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 4057 L C 2.431 179.325 176.870 0.041 0.000 1.085 4057 L CA 1.195 56.063 54.840 0.047 0.000 0.755 4057 L CB -0.450 41.635 42.059 0.043 0.000 0.904 4057 L HN 0.231 nan 8.230 nan 0.000 0.435 4058 K N -0.773 119.651 120.400 0.041 0.000 2.155 4058 K HA -0.082 4.237 4.320 -0.001 0.000 0.203 4058 K C 2.045 178.665 176.600 0.034 0.000 1.052 4058 K CA 1.442 57.749 56.287 0.033 0.000 0.948 4058 K CB -0.134 32.384 32.500 0.030 0.000 0.728 4058 K HN 0.263 nan 8.250 nan 0.000 0.448 4059 T N 1.950 116.529 114.554 0.042 0.000 2.777 4059 T HA -0.075 4.275 4.350 -0.001 0.000 0.266 4059 T C 1.852 176.574 174.700 0.037 0.000 1.040 4059 T CA 1.263 63.388 62.100 0.042 0.000 1.141 4059 T CB -0.120 68.782 68.868 0.057 0.000 0.868 4059 T HN 0.384 nan 8.240 nan 0.000 0.444 4060 I N -0.454 120.140 120.570 0.040 0.000 3.728 4060 I HA 0.473 4.643 4.170 -0.001 0.000 0.307 4060 I C 1.019 177.154 176.117 0.030 0.000 1.276 4060 I CA -0.597 60.725 61.300 0.037 0.000 1.285 4060 I CB -0.427 37.601 38.000 0.047 0.000 1.038 4060 I HN -0.056 nan 8.210 nan 0.000 0.445 4061 A N 1.502 124.339 122.820 0.028 0.000 2.567 4061 A HA 0.121 4.440 4.320 -0.001 0.000 0.240 4061 A C 0.099 177.694 177.584 0.019 0.000 1.053 4061 A CA 0.002 52.053 52.037 0.023 0.000 0.755 4061 A CB -0.185 18.828 19.000 0.022 0.000 0.978 4061 A HN 0.639 nan 8.150 nan 0.000 0.507 4062 C N 3.759 123.069 119.300 0.016 0.000 2.273 4062 C HA 0.448 4.907 4.460 -0.001 0.000 0.328 4062 C C 0.317 175.313 174.990 0.011 0.000 1.275 4062 C CA -0.682 58.344 59.018 0.013 0.000 1.704 4062 C CB -0.791 26.956 27.740 0.012 0.000 2.326 4062 C HN 0.881 nan 8.230 nan 0.000 0.517 4063 E N 3.687 123.893 120.200 0.010 0.000 2.316 4063 E HA 0.424 4.773 4.350 -0.001 0.000 0.275 4063 E C -0.114 176.490 176.600 0.007 0.000 1.029 4063 E CA -0.062 56.343 56.400 0.008 0.000 0.871 4063 E CB 1.167 30.872 29.700 0.008 0.000 1.022 4063 E HN 0.700 nan 8.360 nan 0.000 0.418 4064 V N -0.513 119.405 119.914 0.006 0.000 3.040 4064 V HA 0.729 4.849 4.120 -0.001 0.000 0.312 4064 V C 0.320 176.417 176.094 0.005 0.000 1.115 4064 V CA -1.135 61.168 62.300 0.005 0.000 0.998 4064 V CB 1.673 33.499 31.823 0.005 0.000 1.042 4064 V HN 0.660 nan 8.190 nan 0.000 0.433 4065 G N 0.611 109.413 108.800 0.004 0.000 2.365 4065 G HA2 0.481 4.441 3.960 -0.001 0.000 0.249 4065 G HA3 0.481 4.441 3.960 -0.001 0.000 0.249 4065 G C 0.966 175.868 174.900 0.004 0.000 1.288 4065 G CA 0.127 45.230 45.100 0.003 0.000 0.887 4065 G HN 1.657 nan 8.290 nan 0.000 0.524 4066 A N 2.347 125.170 122.820 0.004 0.000 1.940 4066 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 4066 A C 1.942 179.529 177.584 0.004 0.000 1.176 4066 A CA 1.198 53.237 52.037 0.004 0.000 0.631 4066 A CB -0.002 19.000 19.000 0.004 0.000 0.814 4066 A HN 0.516 nan 8.150 nan 0.000 0.446 4067 Q N 0.005 119.807 119.800 0.003 0.000 2.201 4067 Q HA 0.107 4.447 4.340 -0.001 0.000 0.236 4067 Q C -0.945 175.056 176.000 0.002 0.000 0.857 4067 Q CA -0.132 55.673 55.803 0.003 0.000 1.025 4067 Q CB 0.026 28.766 28.738 0.003 0.000 1.124 4067 Q HN 0.720 nan 8.270 nan 0.000 0.473 4068 D N 0.728 121.129 120.400 0.002 0.000 2.344 4068 D HA 0.005 4.644 4.640 -0.001 0.000 0.253 4068 D C 1.250 177.551 176.300 0.001 0.000 1.255 4068 D CA 0.064 54.065 54.000 0.001 0.000 0.894 4068 D CB 0.884 41.685 40.800 0.001 0.000 1.067 4068 D HN -0.218 nan 8.370 nan 0.000 0.492 4069 K N 3.408 123.808 120.400 0.000 0.000 2.077 4069 K HA -0.293 4.027 4.320 -0.001 0.000 0.213 4069 K C 1.553 178.152 176.600 -0.002 0.000 1.051 4069 K CA 2.067 58.354 56.287 -0.001 0.000 0.929 4069 K CB -0.105 32.394 32.500 -0.001 0.000 0.715 4069 K HN 0.660 nan 8.250 nan 0.000 0.451 4070 E N -0.451 119.748 120.200 -0.003 0.000 2.023 4070 E HA -0.221 4.128 4.350 -0.001 0.000 0.196 4070 E C 1.993 178.590 176.600 -0.004 0.000 1.003 4070 E CA 1.658 58.055 56.400 -0.004 0.000 0.809 4070 E CB -0.274 29.423 29.700 -0.004 0.000 0.755 4070 E HN 0.340 nan 8.360 nan 0.000 0.449 4071 I N 0.582 121.151 120.570 -0.002 0.000 2.454 4071 I HA -0.203 3.967 4.170 -0.001 0.000 0.254 4071 I C 1.877 177.995 176.117 0.000 0.000 1.156 4071 I CA 0.728 62.028 61.300 -0.000 0.000 1.433 4071 I CB -0.059 37.942 38.000 0.002 0.000 1.082 4071 I HN 0.212 nan 8.210 nan 0.000 0.432 4072 L N 0.064 121.287 121.223 -0.000 0.000 2.141 4072 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 4072 L C 2.644 179.513 176.870 -0.001 0.000 1.094 4072 L CA 2.296 57.136 54.840 0.001 0.000 0.763 4072 L CB -1.565 40.495 42.059 0.001 0.000 0.908 4072 L HN 0.493 nan 8.230 nan 0.000 0.437 4073 T N -4.949 109.603 114.554 -0.003 0.000 3.035 4073 T HA -0.068 4.281 4.350 -0.001 0.000 0.259 4073 T C 1.898 176.593 174.700 -0.009 0.000 1.078 4073 T CA 0.435 62.532 62.100 -0.006 0.000 1.132 4073 T CB -0.064 68.799 68.868 -0.008 0.000 0.900 4073 T HN 0.178 nan 8.240 nan 0.000 0.480 4074 K N 0.616 121.011 120.400 -0.007 0.000 2.057 4074 K HA 0.097 4.417 4.320 -0.001 0.000 0.206 4074 K C 2.145 178.743 176.600 -0.003 0.000 1.050 4074 K CA 0.965 57.247 56.287 -0.008 0.000 0.935 4074 K CB -0.183 32.313 32.500 -0.006 0.000 0.715 4074 K HN 0.252 nan 8.250 nan 0.000 0.439 4075 I N 1.302 121.873 120.570 0.001 0.000 2.179 4075 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 4075 I C 2.518 178.638 176.117 0.006 0.000 1.088 4075 I CA 1.266 62.569 61.300 0.005 0.000 1.357 4075 I CB -1.344 36.659 38.000 0.006 0.000 1.051 4075 I HN 0.104 nan 8.210 nan 0.000 0.409 4076 A N 0.770 123.591 122.820 0.003 0.000 1.865 4076 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 4076 A C 2.397 179.982 177.584 0.002 0.000 1.191 4076 A CA 1.897 53.936 52.037 0.003 0.000 0.623 4076 A CB -0.658 18.342 19.000 0.000 0.000 0.826 4076 A HN 0.356 nan 8.150 nan 0.000 0.444 4077 M N -0.839 118.758 119.600 -0.005 0.000 2.159 4077 M HA -0.122 4.357 4.480 -0.001 0.000 0.263 4077 M C 2.208 178.505 176.300 -0.006 0.000 1.063 4077 M CA 1.791 57.083 55.300 -0.014 0.000 1.110 4077 M CB -0.642 31.940 32.600 -0.031 0.000 1.374 4077 M HN 0.472 nan 8.290 nan 0.000 0.411 4078 T N -0.243 114.314 114.554 0.004 0.000 2.665 4078 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 4078 T C 1.954 176.679 174.700 0.043 0.000 1.035 4078 T CA 2.021 64.137 62.100 0.026 0.000 1.151 4078 T CB -0.321 68.563 68.868 0.026 0.000 0.862 4078 T HN 0.398 nan 8.240 nan 0.000 0.438 4079 S N 0.205 115.923 115.700 0.029 0.000 2.371 4079 S HA 0.033 4.503 4.470 -0.001 0.000 0.224 4079 S C 2.057 176.679 174.600 0.037 0.000 1.029 4079 S CA 0.572 58.791 58.200 0.031 0.000 0.978 4079 S CB -0.430 62.783 63.200 0.021 0.000 0.833 4079 S HN 0.451 nan 8.310 nan 0.000 0.466 4080 I N 1.678 122.265 120.570 0.028 0.000 2.226 4080 I HA -0.105 4.065 4.170 -0.001 0.000 0.245 4080 I C 1.322 177.466 176.117 0.045 0.000 1.100 4080 I CA 0.967 62.283 61.300 0.026 0.000 1.374 4080 I CB -0.935 37.071 38.000 0.010 0.000 1.057 4080 I HN 0.415 nan 8.210 nan 0.000 0.413 4081 T N -0.407 114.180 114.554 0.054 0.000 2.903 4081 T HA 0.325 4.675 4.350 -0.001 0.000 0.314 4081 T C 1.083 175.912 174.700 0.215 0.000 1.078 4081 T CA 0.090 62.250 62.100 0.101 0.000 1.114 4081 T CB 1.224 70.117 68.868 0.042 0.000 0.987 4081 T HN 0.637 nan 8.240 nan 0.000 0.548 4082 G N 0.492 109.469 108.800 0.294 0.000 2.141 4082 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.242 4082 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.242 4082 G C -0.134 174.831 174.900 0.109 0.000 0.982 4082 G CA 0.317 45.549 45.100 0.220 0.000 0.662 4082 G HN 0.947 nan 8.290 nan 0.000 0.527 4083 K N -0.203 120.254 120.400 0.095 0.000 2.328 4083 K HA 0.707 5.027 4.320 -0.001 0.000 0.246 4083 K C 1.565 178.196 176.600 0.052 0.000 0.955 4083 K CA 0.178 56.500 56.287 0.058 0.000 0.817 4083 K CB 0.972 33.498 32.500 0.045 0.000 1.208 4083 K HN 0.282 nan 8.250 nan 0.000 0.432 4084 G N 1.149 109.972 108.800 0.039 0.000 2.450 4084 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.220 4084 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.220 4084 G C 1.048 175.965 174.900 0.028 0.000 1.130 4084 G CA 1.034 46.154 45.100 0.033 0.000 0.760 4084 G HN 0.638 nan 8.290 nan 0.000 0.557 4085 A N 1.346 124.182 122.820 0.027 0.000 2.209 4085 A HA 0.092 4.412 4.320 -0.001 0.000 0.212 4085 A C 2.090 179.683 177.584 0.015 0.000 1.158 4085 A CA 1.496 53.545 52.037 0.020 0.000 0.742 4085 A CB -0.380 18.632 19.000 0.020 0.000 0.790 4085 A HN 0.660 nan 8.150 nan 0.000 0.472 4086 E N 1.379 121.591 120.200 0.019 0.000 2.333 4086 E HA -0.283 4.067 4.350 -0.001 0.000 0.198 4086 E C 1.557 178.153 176.600 -0.006 0.000 1.007 4086 E CA 1.302 57.705 56.400 0.005 0.000 0.845 4086 E CB -0.541 29.164 29.700 0.009 0.000 0.766 4086 E HN 0.792 nan 8.360 nan 0.000 0.507 4087 K N 0.800 121.201 120.400 0.002 0.000 2.281 4087 K HA -0.080 4.239 4.320 -0.001 0.000 0.203 4087 K C 1.467 178.064 176.600 -0.005 0.000 1.046 4087 K CA 1.466 57.752 56.287 -0.002 0.000 0.938 4087 K CB -0.009 32.494 32.500 0.005 0.000 0.737 4087 K HN 0.164 nan 8.250 nan 0.000 0.458 4088 A N 1.784 124.602 122.820 -0.003 0.000 2.606 4088 A HA 0.137 4.457 4.320 -0.001 0.000 0.290 4088 A C 1.347 178.928 177.584 -0.006 0.000 1.174 4088 A CA -0.561 51.473 52.037 -0.004 0.000 0.958 4088 A CB -0.041 18.960 19.000 0.001 0.000 1.194 4088 A HN 0.414 nan 8.150 nan 0.000 0.526 4089 K N 0.187 120.580 120.400 -0.011 0.000 2.281 4089 K HA -0.197 4.122 4.320 -0.001 0.000 0.203 4089 K C 0.834 177.425 176.600 -0.015 0.000 1.046 4089 K CA 1.905 58.184 56.287 -0.014 0.000 0.938 4089 K CB -0.115 32.370 32.500 -0.026 0.000 0.737 4089 K HN 0.313 nan 8.250 nan 0.000 0.458 4090 E N 1.298 121.489 120.200 -0.016 0.000 2.072 4090 E HA -0.098 4.252 4.350 -0.001 0.000 0.190 4090 E C 1.754 178.349 176.600 -0.008 0.000 0.982 4090 E CA 1.244 57.635 56.400 -0.014 0.000 0.803 4090 E CB 0.050 29.740 29.700 -0.015 0.000 0.755 4090 E HN 0.258 nan 8.360 nan 0.000 0.453 4091 K N 0.331 120.728 120.400 -0.005 0.000 2.057 4091 K HA 0.006 4.325 4.320 -0.001 0.000 0.206 4091 K C 1.971 178.572 176.600 0.001 0.000 1.050 4091 K CA 0.751 57.038 56.287 -0.001 0.000 0.935 4091 K CB -0.307 32.194 32.500 0.001 0.000 0.715 4091 K HN 0.057 nan 8.250 nan 0.000 0.439 4092 L N 0.103 121.326 121.223 0.000 0.000 2.046 4092 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 4092 L C 2.373 179.244 176.870 0.001 0.000 1.077 4092 L CA 1.406 56.248 54.840 0.002 0.000 0.747 4092 L CB -0.604 41.457 42.059 0.003 0.000 0.896 4092 L HN 0.196 nan 8.230 nan 0.000 0.432 4093 A N -0.242 122.577 122.820 -0.002 0.000 1.933 4093 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 4093 A C 2.176 179.759 177.584 -0.001 0.000 1.175 4093 A CA 1.809 53.845 52.037 -0.003 0.000 0.628 4093 A CB -0.427 18.569 19.000 -0.007 0.000 0.814 4093 A HN 0.387 nan 8.150 nan 0.000 0.444 4094 E N 0.199 120.398 120.200 -0.001 0.000 2.051 4094 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 4094 E C 1.755 178.357 176.600 0.003 0.000 0.991 4094 E CA 1.422 57.822 56.400 0.000 0.000 0.799 4094 E CB -0.230 29.470 29.700 -0.000 0.000 0.748 4094 E HN 0.468 nan 8.360 nan 0.000 0.449 4095 I N 0.277 120.850 120.570 0.004 0.000 2.226 4095 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 4095 I C 2.136 178.257 176.117 0.006 0.000 1.100 4095 I CA 0.956 62.260 61.300 0.006 0.000 1.374 4095 I CB -0.799 37.205 38.000 0.008 0.000 1.057 4095 I HN 0.197 nan 8.210 nan 0.000 0.413 4096 I N -0.063 120.510 120.570 0.004 0.000 2.406 4096 I HA -0.149 4.021 4.170 -0.001 0.000 0.249 4096 I C 2.487 178.606 176.117 0.004 0.000 1.122 4096 I CA 0.897 62.199 61.300 0.004 0.000 1.431 4096 I CB -0.405 37.598 38.000 0.004 0.000 1.087 4096 I HN -0.095 nan 8.210 nan 0.000 0.424 4097 V N 0.279 120.195 119.914 0.003 0.000 2.358 4097 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 4097 V C 2.449 178.545 176.094 0.004 0.000 1.047 4097 V CA 1.529 63.831 62.300 0.003 0.000 1.035 4097 V CB -0.581 31.243 31.823 0.002 0.000 0.658 4097 V HN 0.380 nan 8.190 nan 0.000 0.452 4098 E N 0.386 120.589 120.200 0.004 0.000 2.072 4098 E HA -0.132 4.218 4.350 -0.001 0.000 0.191 4098 E C 2.378 178.982 176.600 0.006 0.000 0.985 4098 E CA 1.414 57.818 56.400 0.005 0.000 0.801 4098 E CB -0.458 29.245 29.700 0.006 0.000 0.750 4098 E HN 0.555 nan 8.360 nan 0.000 0.452 4099 A N 1.137 123.960 122.820 0.006 0.000 1.902 4099 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 4099 A C 2.623 180.210 177.584 0.005 0.000 1.181 4099 A CA 1.447 53.487 52.037 0.006 0.000 0.623 4099 A CB -0.689 18.314 19.000 0.005 0.000 0.818 4099 A HN 0.124 nan 8.150 nan 0.000 0.443 4100 V N -0.258 119.658 119.914 0.004 0.000 2.261 4100 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 4100 V C 2.762 178.859 176.094 0.005 0.000 1.047 4100 V CA 2.369 64.671 62.300 0.004 0.000 1.015 4100 V CB -0.833 30.992 31.823 0.004 0.000 0.642 4100 V HN 0.549 nan 8.190 nan 0.000 0.446 4101 S N 0.009 115.712 115.700 0.005 0.000 2.419 4101 S HA -0.125 4.345 4.470 -0.001 0.000 0.233 4101 S C 2.137 176.741 174.600 0.007 0.000 1.016 4101 S CA 1.237 59.440 58.200 0.006 0.000 0.974 4101 S CB -0.393 62.810 63.200 0.006 0.000 0.786 4101 S HN 0.645 nan 8.310 nan 0.000 0.492 4102 A N 1.055 123.880 122.820 0.008 0.000 1.930 4102 A HA -0.019 4.301 4.320 -0.001 0.000 0.217 4102 A C 2.239 179.829 177.584 0.011 0.000 1.175 4102 A CA 1.652 53.694 52.037 0.010 0.000 0.627 4102 A CB -0.536 18.470 19.000 0.009 0.000 0.815 4102 A HN 0.579 nan 8.150 nan 0.000 0.443 4103 V N -3.658 116.261 119.914 0.008 0.000 3.660 4103 V HA 0.134 4.254 4.120 -0.001 0.000 0.276 4103 V C 1.870 177.968 176.094 0.006 0.000 1.317 4103 V CA 0.869 63.173 62.300 0.007 0.000 1.097 4103 V CB -0.302 31.523 31.823 0.004 0.000 0.863 4103 V HN 0.155 nan 8.190 nan 0.000 0.438 4104 V N 1.001 120.919 119.914 0.006 0.000 2.568 4104 V HA -0.184 3.935 4.120 -0.001 0.000 0.253 4104 V C 1.624 177.721 176.094 0.006 0.000 1.072 4104 V CA 2.604 64.907 62.300 0.005 0.000 1.084 4104 V CB -0.595 31.231 31.823 0.005 0.000 0.676 4104 V HN 0.897 nan 8.190 nan 0.000 0.469 4105 D N -1.057 119.347 120.400 0.008 0.000 4.438 4105 D HA -0.222 4.417 4.640 -0.001 0.000 0.158 4105 D C 0.617 176.921 176.300 0.007 0.000 0.686 4105 D CA 1.920 55.925 54.000 0.008 0.000 1.183 4105 D CB -1.235 39.568 40.800 0.005 0.000 0.623 4105 D HN 0.573 nan 8.370 nan 0.000 0.521 4106 D N 1.621 122.023 120.400 0.004 0.000 2.414 4106 D HA 0.216 4.856 4.640 -0.001 0.000 0.251 4106 D C -0.200 176.102 176.300 0.004 0.000 1.252 4106 D CA 0.300 54.302 54.000 0.003 0.000 0.999 4106 D CB 0.407 41.208 40.800 0.002 0.000 1.093 4106 D HN 0.199 nan 8.370 nan 0.000 0.515 4107 E N -0.304 119.898 120.200 0.003 0.000 2.373 4107 E HA 0.549 4.899 4.350 -0.001 0.000 0.233 4107 E C -0.238 176.364 176.600 0.003 0.000 1.035 4107 E CA -0.622 55.780 56.400 0.004 0.000 0.930 4107 E CB 0.627 30.329 29.700 0.004 0.000 1.278 4107 E HN 0.450 nan 8.360 nan 0.000 0.452 4108 G N 1.454 110.255 108.800 0.003 0.000 2.340 4108 G HA2 0.259 4.219 3.960 -0.001 0.000 0.298 4108 G HA3 0.259 4.219 3.960 -0.001 0.000 0.298 4108 G C -1.745 173.157 174.900 0.003 0.000 1.498 4108 G CA -0.735 44.367 45.100 0.003 0.000 0.847 4108 G HN 0.021 nan 8.290 nan 0.000 0.594 4109 K N 0.467 120.869 120.400 0.003 0.000 2.550 4109 K HA 0.541 4.860 4.320 -0.001 0.000 0.252 4109 K C -1.384 175.217 176.600 0.003 0.000 0.943 4109 K CA -0.541 55.748 56.287 0.003 0.000 0.806 4109 K CB 2.261 34.762 32.500 0.002 0.000 1.289 4109 K HN 0.512 nan 8.250 nan 0.000 0.435 4110 V N 3.416 123.332 119.914 0.003 0.000 2.370 4110 V HA 0.205 4.324 4.120 -0.001 0.000 0.279 4110 V C -0.249 175.846 176.094 0.002 0.000 1.029 4110 V CA -0.716 61.585 62.300 0.002 0.000 0.870 4110 V CB 1.318 33.143 31.823 0.003 0.000 0.984 4110 V HN 0.606 nan 8.190 nan 0.000 0.451 4111 D N 4.023 124.424 120.400 0.001 0.000 2.427 4111 D HA 0.197 4.837 4.640 -0.001 0.000 0.226 4111 D C 0.974 177.273 176.300 -0.002 0.000 1.076 4111 D CA -0.386 53.614 54.000 -0.001 0.000 0.849 4111 D CB 1.426 42.225 40.800 -0.002 0.000 1.052 4111 D HN 0.511 nan 8.370 nan 0.000 0.515 4112 K N 2.755 123.154 120.400 -0.002 0.000 2.218 4112 K HA -0.231 4.089 4.320 -0.001 0.000 0.205 4112 K C 0.964 177.561 176.600 -0.006 0.000 1.046 4112 K CA 1.319 57.605 56.287 -0.003 0.000 0.933 4112 K CB 0.161 32.660 32.500 -0.002 0.000 0.728 4112 K HN 0.331 nan 8.250 nan 0.000 0.454 4113 D N 0.191 120.587 120.400 -0.007 0.000 2.309 4113 D HA -0.110 4.530 4.640 -0.001 0.000 0.212 4113 D C 1.390 177.682 176.300 -0.012 0.000 0.968 4113 D CA 0.700 54.694 54.000 -0.010 0.000 0.882 4113 D CB 0.129 40.923 40.800 -0.010 0.000 0.918 4113 D HN 0.263 nan 8.370 nan 0.000 0.503 4114 L N -0.304 120.913 121.223 -0.009 0.000 2.554 4114 L HA 0.171 4.511 4.340 -0.001 0.000 0.226 4114 L C 0.371 177.235 176.870 -0.010 0.000 1.137 4114 L CA 0.181 55.016 54.840 -0.009 0.000 0.863 4114 L CB 0.085 42.142 42.059 -0.004 0.000 0.985 4114 L HN 0.009 nan 8.230 nan 0.000 0.451 4115 I N 0.271 120.835 120.570 -0.010 0.000 2.382 4115 I HA 0.235 4.404 4.170 -0.001 0.000 0.286 4115 I C 0.076 176.184 176.117 -0.015 0.000 1.002 4115 I CA -0.460 60.834 61.300 -0.010 0.000 1.135 4115 I CB 1.678 39.675 38.000 -0.005 0.000 1.288 4115 I HN -0.113 nan 8.210 nan 0.000 0.448 4116 K N 6.625 127.013 120.400 -0.021 0.000 2.172 4116 K HA 0.427 4.747 4.320 -0.001 0.000 0.276 4116 K C -0.705 175.881 176.600 -0.023 0.000 1.013 4116 K CA -0.595 55.676 56.287 -0.028 0.000 0.913 4116 K CB 1.266 33.740 32.500 -0.042 0.000 1.055 4116 K HN 0.452 nan 8.250 nan 0.000 0.461 4117 I N 3.974 124.532 120.570 -0.021 0.000 2.307 4117 I HA 0.174 4.344 4.170 -0.001 0.000 0.287 4117 I C 0.099 176.202 176.117 -0.022 0.000 1.054 4117 I CA -0.583 60.707 61.300 -0.016 0.000 1.218 4117 I CB 0.582 38.576 38.000 -0.010 0.000 1.398 4117 I HN 0.517 nan 8.210 nan 0.000 0.475 4118 E N 7.313 127.498 120.200 -0.025 0.000 2.199 4118 E HA 0.548 4.898 4.350 -0.001 0.000 0.269 4118 E C -0.949 175.640 176.600 -0.019 0.000 0.899 4118 E CA -0.745 55.635 56.400 -0.032 0.000 0.772 4118 E CB 1.405 31.072 29.700 -0.054 0.000 1.155 4118 E HN 0.541 nan 8.360 nan 0.000 0.408 4119 K N 2.911 123.300 120.400 -0.019 0.000 2.471 4119 K HA 0.613 4.932 4.320 -0.001 0.000 0.252 4119 K C -0.929 175.663 176.600 -0.014 0.000 0.938 4119 K CA -1.105 55.176 56.287 -0.011 0.000 0.796 4119 K CB 1.591 34.086 32.500 -0.009 0.000 1.161 4119 K HN 0.096 nan 8.250 nan 0.000 0.425 4120 K N 2.028 122.424 120.400 -0.006 0.000 2.507 4120 K HA 0.218 4.537 4.320 -0.001 0.000 0.251 4120 K C -0.643 175.955 176.600 -0.002 0.000 0.943 4120 K CA -0.582 55.702 56.287 -0.005 0.000 0.794 4120 K CB 2.138 34.644 32.500 0.009 0.000 1.188 4120 K HN 0.992 nan 8.250 nan 0.000 0.428 4121 S N 0.431 116.123 115.700 -0.014 0.000 2.584 4121 S HA 0.674 5.143 4.470 -0.001 0.000 0.270 4121 S C 0.565 175.164 174.600 -0.001 0.000 1.346 4121 S CA 0.328 58.520 58.200 -0.013 0.000 1.018 4121 S CB 0.821 64.003 63.200 -0.029 0.000 0.899 4121 S HN 0.931 nan 8.310 nan 0.000 0.542 4122 G N -0.193 108.608 108.800 0.002 0.000 2.640 4122 G HA2 0.475 4.435 3.960 -0.001 0.000 0.686 4122 G HA3 0.475 4.435 3.960 -0.001 0.000 0.686 4122 G C -0.042 174.864 174.900 0.010 0.000 1.229 4122 G CA -0.124 44.980 45.100 0.007 0.000 0.796 4122 G HN 2.406 nan 8.290 nan 0.000 0.654 4123 A N -0.333 122.493 122.820 0.009 0.000 5.953 4123 A HA 0.387 4.707 4.320 -0.001 0.000 0.267 4123 A C 1.188 178.777 177.584 0.009 0.000 2.116 4123 A CA 1.972 54.015 52.037 0.010 0.000 0.711 4123 A CB -1.624 17.384 19.000 0.012 0.000 1.100 4123 A HN 2.749 nan 8.150 nan 0.000 0.364 4124 S N -2.834 112.872 115.700 0.009 0.000 2.851 4124 S HA 0.691 5.161 4.470 -0.001 0.000 0.317 4124 S C 1.196 175.803 174.600 0.010 0.000 1.144 4124 S CA -0.109 58.097 58.200 0.010 0.000 0.862 4124 S CB 0.628 63.833 63.200 0.008 0.000 1.259 4124 S HN 1.019 nan 8.310 nan 0.000 0.564 4125 I N 2.009 122.585 120.570 0.010 0.000 2.546 4125 I HA -0.033 4.137 4.170 -0.001 0.000 0.255 4125 I C 1.513 177.636 176.117 0.009 0.000 1.163 4125 I CA 1.181 62.488 61.300 0.010 0.000 1.457 4125 I CB -1.347 36.660 38.000 0.011 0.000 1.092 4125 I HN 0.586 nan 8.210 nan 0.000 0.434 4126 D N 1.247 121.651 120.400 0.007 0.000 2.218 4126 D HA -0.172 4.468 4.640 -0.001 0.000 0.204 4126 D C 1.340 177.645 176.300 0.007 0.000 0.976 4126 D CA 1.192 55.196 54.000 0.005 0.000 0.853 4126 D CB -0.115 40.687 40.800 0.004 0.000 0.939 4126 D HN 0.432 nan 8.370 nan 0.000 0.481 4127 D N -0.175 120.231 120.400 0.009 0.000 2.347 4127 D HA -0.034 4.605 4.640 -0.001 0.000 0.215 4127 D C 0.329 176.639 176.300 0.016 0.000 0.976 4127 D CA 0.424 54.431 54.000 0.012 0.000 0.884 4127 D CB -0.014 40.793 40.800 0.012 0.000 0.915 4127 D HN -0.045 nan 8.370 nan 0.000 0.526 4128 T N 1.785 116.348 114.554 0.016 0.000 2.905 4128 T HA 0.063 4.413 4.350 -0.001 0.000 0.299 4128 T C 0.228 174.940 174.700 0.020 0.000 1.024 4128 T CA 0.381 62.492 62.100 0.019 0.000 1.151 4128 T CB 0.225 69.101 68.868 0.014 0.000 0.987 4128 T HN 0.303 nan 8.240 nan 0.000 0.535 4129 E N 2.039 122.256 120.200 0.027 0.000 2.408 4129 E HA 0.596 4.945 4.350 -0.001 0.000 0.275 4129 E C -1.490 175.130 176.600 0.033 0.000 0.935 4129 E CA -1.188 55.229 56.400 0.029 0.000 0.775 4129 E CB 1.303 31.023 29.700 0.034 0.000 1.277 4129 E HN 0.326 nan 8.360 nan 0.000 0.455 4130 L N 2.509 123.749 121.223 0.028 0.000 2.275 4130 L HA 0.484 4.823 4.340 -0.001 0.000 0.288 4130 L C -1.233 175.660 176.870 0.038 0.000 1.046 4130 L CA -0.390 54.467 54.840 0.028 0.000 0.805 4130 L CB 0.881 42.951 42.059 0.018 0.000 1.193 4130 L HN 0.610 nan 8.230 nan 0.000 0.426 4131 I N 5.221 125.819 120.570 0.047 0.000 2.359 4131 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 4131 I C -0.127 176.018 176.117 0.047 0.000 1.018 4131 I CA -0.855 60.486 61.300 0.068 0.000 1.173 4131 I CB 0.994 39.069 38.000 0.124 0.000 1.326 4131 I HN 0.477 nan 8.210 nan 0.000 0.462 4132 K N 5.300 125.723 120.400 0.039 0.000 2.081 4132 K HA 0.441 4.761 4.320 -0.001 0.000 0.230 4132 K C 0.306 176.924 176.600 0.029 0.000 1.199 4132 K CA -0.077 56.225 56.287 0.026 0.000 1.130 4132 K CB -0.033 32.478 32.500 0.018 0.000 1.386 4132 K HN 0.848 nan 8.250 nan 0.000 0.280 4133 G N -1.254 107.562 108.800 0.027 0.000 2.335 4133 G HA2 0.268 4.227 3.960 -0.001 0.000 0.291 4133 G HA3 0.268 4.227 3.960 -0.001 0.000 0.291 4133 G C -1.704 173.194 174.900 -0.003 0.000 1.261 4133 G CA -0.803 44.310 45.100 0.022 0.000 0.871 4133 G HN 0.033 nan 8.290 nan 0.000 0.491 4134 V N 0.714 120.615 119.914 -0.022 0.000 2.409 4134 V HA 0.655 4.775 4.120 -0.001 0.000 0.291 4134 V C -0.720 175.299 176.094 -0.126 0.000 1.020 4134 V CA -0.603 61.651 62.300 -0.077 0.000 0.848 4134 V CB 1.242 33.002 31.823 -0.106 0.000 0.990 4134 V HN 0.818 nan 8.190 nan 0.000 0.430 4135 L N 7.910 129.017 121.223 -0.193 0.000 2.313 4135 L HA 0.852 5.192 4.340 -0.001 0.000 0.283 4135 L C -0.349 176.358 176.870 -0.271 0.000 1.013 4135 L CA -0.150 54.464 54.840 -0.375 0.000 0.816 4135 L CB 1.751 43.489 42.059 -0.535 0.000 1.236 4135 L HN 0.562 nan 8.230 nan 0.000 0.419 4136 V N 1.535 121.299 119.914 -0.250 0.000 2.864 4136 V HA 0.611 4.730 4.120 -0.001 0.000 0.314 4136 V C -0.356 175.664 176.094 -0.123 0.000 1.073 4136 V CA -0.516 61.697 62.300 -0.145 0.000 0.956 4136 V CB 1.857 33.630 31.823 -0.082 0.000 1.023 4136 V HN 0.828 nan 8.190 nan 0.000 0.435 4137 D N 1.059 121.413 120.400 -0.076 0.000 3.085 4137 D HA 0.286 4.926 4.640 -0.001 0.000 0.243 4137 D C -0.153 176.141 176.300 -0.010 0.000 1.232 4137 D CA -0.276 53.695 54.000 -0.048 0.000 0.913 4137 D CB 0.308 41.084 40.800 -0.040 0.000 1.108 4137 D HN 0.527 nan 8.370 nan 0.000 0.468 4138 K N 0.474 120.880 120.400 0.009 0.000 2.340 4138 K HA 0.418 4.738 4.320 -0.001 0.000 0.244 4138 K C 0.162 176.786 176.600 0.041 0.000 0.973 4138 K CA -0.810 55.500 56.287 0.038 0.000 0.828 4138 K CB 2.271 34.823 32.500 0.087 0.000 1.226 4138 K HN 0.265 nan 8.250 nan 0.000 0.437 4139 E N 0.547 120.764 120.200 0.029 0.000 2.334 4139 E HA 0.489 4.839 4.350 -0.001 0.000 0.256 4139 E C -0.657 175.943 176.600 0.000 0.000 0.958 4139 E CA -1.152 55.261 56.400 0.023 0.000 0.821 4139 E CB 0.898 30.608 29.700 0.017 0.000 1.269 4139 E HN 0.091 nan 8.360 nan 0.000 0.413 4140 R N 1.202 121.699 120.500 -0.006 0.000 2.242 4140 R HA 0.084 4.423 4.340 -0.001 0.000 0.334 4140 R C 0.854 177.134 176.300 -0.032 0.000 1.071 4140 R CA -0.154 55.928 56.100 -0.030 0.000 0.922 4140 R CB 0.877 31.163 30.300 -0.022 0.000 1.023 4140 R HN 0.581 nan 8.270 nan 0.000 0.458 4141 V N 1.977 121.862 119.914 -0.048 0.000 2.546 4141 V HA -0.177 3.943 4.120 -0.001 0.000 0.254 4141 V C 0.737 176.801 176.094 -0.050 0.000 1.076 4141 V CA 2.011 64.281 62.300 -0.050 0.000 1.087 4141 V CB 0.032 31.816 31.823 -0.065 0.000 0.674 4141 V HN 0.714 nan 8.190 nan 0.000 0.470 4142 S N -2.208 113.466 115.700 -0.044 0.000 2.536 4142 S HA 0.672 5.141 4.470 -0.001 0.000 0.287 4142 S C 0.748 175.341 174.600 -0.012 0.000 1.101 4142 S CA -0.183 57.997 58.200 -0.032 0.000 0.950 4142 S CB 1.840 65.017 63.200 -0.038 0.000 1.056 4142 S HN 0.516 nan 8.310 nan 0.000 0.481 4143 A N 2.984 125.803 122.820 -0.002 0.000 2.125 4143 A HA -0.068 4.251 4.320 -0.001 0.000 0.219 4143 A C 1.868 179.459 177.584 0.011 0.000 1.156 4143 A CA 1.622 53.662 52.037 0.006 0.000 0.671 4143 A CB -0.585 18.421 19.000 0.009 0.000 0.794 4143 A HN 0.894 nan 8.150 nan 0.000 0.459 4144 Q N -1.087 118.724 119.800 0.018 0.000 2.389 4144 Q HA 0.119 4.458 4.340 -0.001 0.000 0.204 4144 Q C 0.488 176.499 176.000 0.018 0.000 0.944 4144 Q CA 0.045 55.864 55.803 0.026 0.000 0.908 4144 Q CB -0.061 28.706 28.738 0.050 0.000 1.002 4144 Q HN 0.683 nan 8.270 nan 0.000 0.493 4145 M N 1.904 121.508 119.600 0.007 0.000 2.255 4145 M HA 0.275 4.755 4.480 -0.001 0.000 0.336 4145 M C -2.080 174.219 176.300 -0.002 0.000 1.135 4145 M CA -2.022 53.277 55.300 -0.001 0.000 1.145 4145 M CB 0.683 33.273 32.600 -0.017 0.000 1.473 4145 M HN -0.083 nan 8.290 nan 0.000 0.462 4146 P HA 0.014 nan 4.420 nan 0.000 0.266 4146 P C -0.470 176.829 177.300 -0.003 0.000 1.193 4146 P CA 0.283 63.382 63.100 -0.001 0.000 0.770 4146 P CB 0.454 32.153 31.700 -0.002 0.000 0.836 4147 K N 1.446 121.848 120.400 0.003 0.000 2.393 4147 K HA 0.045 4.365 4.320 -0.001 0.000 0.193 4147 K C 0.592 177.202 176.600 0.016 0.000 1.026 4147 K CA 0.546 56.838 56.287 0.009 0.000 1.064 4147 K CB 0.094 32.600 32.500 0.010 0.000 0.833 4147 K HN 0.507 nan 8.250 nan 0.000 0.521 4148 K N -0.871 119.536 120.400 0.012 0.000 2.568 4148 K HA 0.396 4.715 4.320 -0.001 0.000 0.273 4148 K C -1.328 175.280 176.600 0.014 0.000 0.951 4148 K CA -0.920 55.378 56.287 0.019 0.000 0.854 4148 K CB 2.128 34.638 32.500 0.017 0.000 1.424 4148 K HN -0.279 nan 8.250 nan 0.000 0.427 4149 V N 1.447 121.373 119.914 0.021 0.000 2.577 4149 V HA 0.400 4.520 4.120 -0.001 0.000 0.303 4149 V C -0.405 175.704 176.094 0.025 0.000 1.042 4149 V CA -0.598 61.712 62.300 0.017 0.000 0.872 4149 V CB 1.809 33.640 31.823 0.013 0.000 0.998 4149 V HN 1.005 nan 8.190 nan 0.000 0.423 4150 T N -0.052 114.513 114.554 0.018 0.000 2.902 4150 T HA 0.539 4.888 4.350 -0.001 0.000 0.283 4150 T C 0.166 174.877 174.700 0.018 0.000 1.009 4150 T CA -0.221 61.890 62.100 0.018 0.000 1.051 4150 T CB 1.275 70.149 68.868 0.011 0.000 0.999 4150 T HN 0.799 nan 8.240 nan 0.000 0.474 4151 D N 0.398 120.810 120.400 0.019 0.000 2.689 4151 D HA -0.160 4.479 4.640 -0.001 0.000 0.237 4151 D C 0.323 176.638 176.300 0.025 0.000 1.148 4151 D CA 0.836 54.848 54.000 0.019 0.000 0.656 4151 D CB -1.257 39.551 40.800 0.014 0.000 1.050 4151 D HN 1.107 nan 8.370 nan 0.000 0.426 4152 A N 1.398 124.238 122.820 0.034 0.000 2.477 4152 A HA 0.353 4.673 4.320 -0.001 0.000 0.246 4152 A C 0.505 178.117 177.584 0.047 0.000 1.078 4152 A CA 0.188 52.250 52.037 0.043 0.000 0.770 4152 A CB 0.547 19.584 19.000 0.062 0.000 1.011 4152 A HN 0.156 nan 8.150 nan 0.000 0.494 4153 K N 3.017 123.443 120.400 0.044 0.000 2.347 4153 K HA 0.386 4.706 4.320 -0.001 0.000 0.262 4153 K C -1.195 175.442 176.600 0.061 0.000 1.052 4153 K CA -0.244 56.071 56.287 0.046 0.000 0.946 4153 K CB 0.932 33.452 32.500 0.032 0.000 1.220 4153 K HN 0.524 nan 8.250 nan 0.000 0.450 4154 I N 2.144 122.767 120.570 0.088 0.000 2.342 4154 I HA 0.202 4.372 4.170 -0.001 0.000 0.291 4154 I C 0.372 176.561 176.117 0.120 0.000 1.010 4154 I CA -0.173 61.213 61.300 0.142 0.000 1.308 4154 I CB 1.362 39.482 38.000 0.199 0.000 1.400 4154 I HN 0.508 nan 8.210 nan 0.000 0.488 4155 A N 7.591 130.486 122.820 0.125 0.000 2.330 4155 A HA 0.846 5.166 4.320 -0.001 0.000 0.327 4155 A C -0.765 176.906 177.584 0.145 0.000 1.155 4155 A CA -0.562 51.535 52.037 0.099 0.000 0.803 4155 A CB 0.639 19.673 19.000 0.058 0.000 1.208 4155 A HN 0.658 nan 8.150 nan 0.000 0.477 4156 L N 3.454 124.742 121.223 0.108 0.000 2.318 4156 L HA 0.463 4.802 4.340 -0.001 0.000 0.277 4156 L C -1.046 175.866 176.870 0.069 0.000 1.008 4156 L CA -0.101 54.802 54.840 0.105 0.000 0.846 4156 L CB 1.039 43.138 42.059 0.067 0.000 1.220 4156 L HN 0.571 nan 8.230 nan 0.000 0.423 4157 L N 3.118 124.384 121.223 0.071 0.000 2.341 4157 L HA 0.370 4.710 4.340 -0.001 0.000 0.278 4157 L C 0.532 177.429 176.870 0.044 0.000 1.005 4157 L CA -0.567 54.301 54.840 0.047 0.000 0.818 4157 L CB 1.962 44.044 42.059 0.039 0.000 1.259 4157 L HN 0.584 nan 8.230 nan 0.000 0.418 4158 N N 0.193 118.912 118.700 0.031 0.000 2.353 4158 N HA -0.019 4.720 4.740 -0.001 0.000 0.185 4158 N C 0.238 175.760 175.510 0.020 0.000 1.098 4158 N CA -0.209 52.856 53.050 0.025 0.000 0.872 4158 N CB 0.173 38.670 38.487 0.018 0.000 0.970 4158 N HN 0.413 nan 8.380 nan 0.000 0.467 4159 C N 1.505 120.816 119.300 0.019 0.000 2.435 4159 C HA 0.767 5.227 4.460 -0.001 0.000 0.375 4159 C C 0.948 175.947 174.990 0.015 0.000 1.281 4159 C CA -0.986 58.041 59.018 0.015 0.000 1.963 4159 C CB -1.246 26.503 27.740 0.015 0.000 2.490 4159 C HN 0.577 nan 8.230 nan 0.000 0.557 4160 A N 6.574 129.401 122.820 0.010 0.000 2.531 4160 A HA 0.362 4.682 4.320 -0.001 0.000 0.236 4160 A C 0.421 178.008 177.584 0.005 0.000 1.062 4160 A CA 0.004 52.045 52.037 0.006 0.000 0.760 4160 A CB 0.072 19.073 19.000 0.003 0.000 0.995 4160 A HN 0.815 nan 8.150 nan 0.000 0.501 4161 I N 2.442 123.012 120.570 0.001 0.000 2.191 4161 I HA 0.186 4.356 4.170 -0.001 0.000 0.289 4161 I C 0.116 176.230 176.117 -0.005 0.000 1.141 4161 I CA 0.728 62.028 61.300 0.001 0.000 1.430 4161 I CB -1.540 36.458 38.000 -0.004 0.000 1.497 4161 I HN 0.609 nan 8.210 nan 0.000 0.636 4162 E N 2.941 123.141 120.200 -0.000 0.000 2.283 4162 E HA 0.453 4.802 4.350 -0.001 0.000 0.258 4162 E C -0.794 175.810 176.600 0.006 0.000 0.893 4162 E CA -0.488 55.910 56.400 -0.003 0.000 0.798 4162 E CB 2.334 32.030 29.700 -0.006 0.000 1.242 4162 E HN 0.199 nan 8.360 nan 0.000 0.414 4163 E N 1.893 122.099 120.200 0.009 0.000 2.278 4163 E HA 0.180 4.530 4.350 -0.001 0.000 0.272 4163 E C -1.154 175.457 176.600 0.018 0.000 0.890 4163 E CA -0.553 55.857 56.400 0.017 0.000 0.770 4163 E CB 1.894 31.611 29.700 0.028 0.000 1.212 4163 E HN 0.276 nan 8.360 nan 0.000 0.415 4164 T N 2.892 117.456 114.554 0.016 0.000 2.940 4164 T HA 0.483 4.832 4.350 -0.001 0.000 0.309 4164 T C -0.242 174.474 174.700 0.026 0.000 1.056 4164 T CA 0.894 63.004 62.100 0.017 0.000 1.137 4164 T CB -0.254 68.622 68.868 0.013 0.000 0.976 4164 T HN 1.324 nan 8.240 nan 0.000 0.547 4165 A N 3.180 126.018 122.820 0.029 0.000 2.435 4165 A HA -0.046 4.274 4.320 -0.001 0.000 0.686 4165 A C 1.256 178.881 177.584 0.069 0.000 0.138 4165 A CA 0.499 52.562 52.037 0.042 0.000 0.024 4165 A CB -1.853 17.168 19.000 0.036 0.000 3.974 4165 A HN 1.873 nan 8.150 nan 0.000 0.548 4166 S N 0.627 116.385 115.700 0.096 0.000 2.489 4166 S HA -0.013 4.457 4.470 -0.001 0.000 0.228 4166 S C 1.367 176.086 174.600 0.199 0.000 0.995 4166 S CA 1.429 59.745 58.200 0.192 0.000 0.934 4166 S CB 0.076 63.414 63.200 0.229 0.000 0.771 4166 S HN 1.163 nan 8.310 nan 0.000 0.522 4167 E N 1.883 122.144 120.200 0.102 0.000 2.046 4167 E HA 0.045 4.395 4.350 -0.001 0.000 0.190 4167 E C 1.994 178.622 176.600 0.046 0.000 0.982 4167 E CA 1.406 57.838 56.400 0.053 0.000 0.800 4167 E CB -0.417 29.302 29.700 0.032 0.000 0.756 4167 E HN 0.594 nan 8.360 nan 0.000 0.449 4168 M N -0.522 119.109 119.600 0.053 0.000 2.200 4168 M HA -0.041 4.439 4.480 -0.001 0.000 0.265 4168 M C 2.037 178.373 176.300 0.060 0.000 1.066 4168 M CA 0.647 55.973 55.300 0.043 0.000 1.127 4168 M CB -0.109 32.512 32.600 0.035 0.000 1.379 4168 M HN 0.194 nan 8.290 nan 0.000 0.420 4169 L N 0.959 122.238 121.223 0.093 0.000 2.093 4169 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 4169 L C 2.410 179.391 176.870 0.185 0.000 1.085 4169 L CA 1.825 56.739 54.840 0.123 0.000 0.755 4169 L CB -0.697 41.436 42.059 0.125 0.000 0.904 4169 L HN 0.147 nan 8.230 nan 0.000 0.435 4170 K N -0.374 120.150 120.400 0.207 0.000 2.057 4170 K HA -0.198 4.122 4.320 -0.001 0.000 0.207 4170 K C 1.567 178.165 176.600 -0.004 0.000 1.049 4170 K CA 1.822 58.139 56.287 0.049 0.000 0.931 4170 K CB -0.297 32.079 32.500 -0.207 0.000 0.714 4170 K HN 0.374 nan 8.250 nan 0.000 0.440 4171 D N 0.617 121.022 120.400 0.009 0.000 2.178 4171 D HA -0.110 4.529 4.640 -0.001 0.000 0.202 4171 D C 2.013 178.322 176.300 0.015 0.000 0.974 4171 D CA 1.025 55.025 54.000 0.001 0.000 0.841 4171 D CB -0.083 40.720 40.800 0.005 0.000 0.953 4171 D HN 0.290 nan 8.370 nan 0.000 0.478 4172 M N -0.131 119.490 119.600 0.034 0.000 2.117 4172 M HA -0.127 4.353 4.480 -0.001 0.000 0.262 4172 M C 2.251 178.573 176.300 0.037 0.000 1.065 4172 M CA 0.865 56.186 55.300 0.036 0.000 1.114 4172 M CB -0.042 32.585 32.600 0.044 0.000 1.361 4172 M HN -0.115 nan 8.290 nan 0.000 0.408 4173 V N 0.202 120.150 119.914 0.056 0.000 2.358 4173 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 4173 V C 2.579 178.689 176.094 0.026 0.000 1.047 4173 V CA 1.905 64.240 62.300 0.058 0.000 1.035 4173 V CB -1.128 30.766 31.823 0.117 0.000 0.658 4173 V HN 0.511 nan 8.190 nan 0.000 0.452 4174 A N -0.084 122.740 122.820 0.006 0.000 1.969 4174 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 4174 A C 2.175 179.759 177.584 -0.001 0.000 1.169 4174 A CA 1.927 53.958 52.037 -0.010 0.000 0.635 4174 A CB -0.410 18.574 19.000 -0.027 0.000 0.810 4174 A HN 0.551 nan 8.150 nan 0.000 0.445 4175 E N 0.282 120.486 120.200 0.006 0.000 2.107 4175 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 4175 E C 1.654 178.260 176.600 0.011 0.000 0.982 4175 E CA 1.150 57.555 56.400 0.008 0.000 0.809 4175 E CB -0.358 29.349 29.700 0.011 0.000 0.756 4175 E HN 0.644 nan 8.360 nan 0.000 0.459 4176 I N 0.248 120.826 120.570 0.014 0.000 2.252 4176 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 4176 I C 2.271 178.395 176.117 0.011 0.000 1.102 4176 I CA 1.139 62.448 61.300 0.014 0.000 1.385 4176 I CB -0.240 37.770 38.000 0.016 0.000 1.064 4176 I HN 0.061 nan 8.210 nan 0.000 0.414 4177 K N 1.795 122.200 120.400 0.009 0.000 2.063 4177 K HA -0.135 4.185 4.320 -0.001 0.000 0.208 4177 K C 2.036 178.639 176.600 0.005 0.000 1.048 4177 K CA 1.731 58.021 56.287 0.006 0.000 0.928 4177 K CB -0.393 32.109 32.500 0.002 0.000 0.713 4177 K HN 0.270 nan 8.250 nan 0.000 0.442 4178 A N 0.279 123.102 122.820 0.004 0.000 1.972 4178 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 4178 A C 2.140 179.728 177.584 0.007 0.000 1.169 4178 A CA 2.143 54.182 52.037 0.004 0.000 0.635 4178 A CB -1.016 17.985 19.000 0.003 0.000 0.810 4178 A HN 0.568 nan 8.150 nan 0.000 0.446 4179 S N -1.671 114.035 115.700 0.009 0.000 2.442 4179 S HA 0.239 4.708 4.470 -0.001 0.000 0.236 4179 S C 1.646 176.254 174.600 0.013 0.000 1.007 4179 S CA 1.453 59.661 58.200 0.012 0.000 0.965 4179 S CB -0.559 62.651 63.200 0.016 0.000 0.773 4179 S HN 1.988 nan 8.310 nan 0.000 0.504 4180 G N 0.655 109.462 108.800 0.011 0.000 2.175 4180 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.244 4180 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.244 4180 G C 0.254 175.162 174.900 0.014 0.000 0.982 4180 G CA 0.027 45.134 45.100 0.012 0.000 0.641 4180 G HN 1.368 nan 8.290 nan 0.000 0.527 4181 A N 0.000 122.830 122.820 0.015 0.000 2.498 4181 A HA 0.595 4.914 4.320 -0.001 0.000 0.239 4181 A C 1.171 178.760 177.584 0.008 0.000 1.068 4181 A CA 0.960 53.007 52.037 0.017 0.000 0.766 4181 A CB 0.196 19.208 19.000 0.020 0.000 1.003 4181 A HN 0.363 nan 8.150 nan 0.000 0.497 4182 N N 0.334 119.038 118.700 0.007 0.000 2.382 4182 N HA 0.114 4.853 4.740 -0.001 0.000 0.200 4182 N C -0.643 174.850 175.510 -0.027 0.000 1.122 4182 N CA 0.491 53.539 53.050 -0.004 0.000 0.870 4182 N CB 0.884 39.373 38.487 0.004 0.000 1.176 4182 N HN 0.381 nan 8.380 nan 0.000 0.474 4183 V N 2.358 122.254 119.914 -0.030 0.000 2.495 4183 V HA 0.441 4.560 4.120 -0.001 0.000 0.298 4183 V C -0.874 175.148 176.094 -0.119 0.000 1.031 4183 V CA -0.824 61.414 62.300 -0.103 0.000 0.871 4183 V CB 2.365 34.161 31.823 -0.045 0.000 0.988 4183 V HN 0.002 nan 8.190 nan 0.000 0.432 4184 L N 5.629 126.705 121.223 -0.245 0.000 2.372 4184 L HA 0.670 5.009 4.340 -0.001 0.000 0.274 4184 L C -1.324 175.348 176.870 -0.329 0.000 0.988 4184 L CA 0.014 54.752 54.840 -0.170 0.000 0.833 4184 L CB 1.284 43.290 42.059 -0.089 0.000 1.236 4184 L HN 0.472 nan 8.230 nan 0.000 0.410 4185 F N 4.946 124.897 119.950 0.002 0.000 2.361 4185 F HA 0.419 4.945 4.527 -0.001 0.000 0.364 4185 F C 0.257 176.055 175.800 -0.003 0.000 1.117 4185 F CA -0.314 57.684 58.000 -0.003 0.000 1.071 4185 F CB 1.239 40.236 39.000 -0.004 0.000 1.188 4185 F HN 0.489 nan 8.300 nan 0.000 0.464 4186 C N 5.166 124.541 119.300 0.125 0.000 2.295 4186 C HA 0.220 4.679 4.460 -0.001 0.000 0.331 4186 C C 1.680 176.716 174.990 0.077 0.000 1.280 4186 C CA -0.463 58.601 59.018 0.076 0.000 1.746 4186 C CB 0.639 28.396 27.740 0.029 0.000 2.328 4186 C HN 0.937 nan 8.230 nan 0.000 0.521 4187 Q N 3.338 123.174 119.800 0.061 0.000 2.084 4187 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 4187 Q C 0.852 176.869 176.000 0.029 0.000 0.978 4187 Q CA 1.631 57.459 55.803 0.043 0.000 0.844 4187 Q CB 0.172 28.927 28.738 0.029 0.000 0.898 4187 Q HN 0.760 nan 8.270 nan 0.000 0.426 4188 K N -1.146 119.267 120.400 0.023 0.000 2.646 4188 K HA 0.421 4.741 4.320 -0.001 0.000 0.270 4188 K C 0.393 176.998 176.600 0.009 0.000 1.026 4188 K CA -0.191 56.104 56.287 0.013 0.000 1.043 4188 K CB 0.062 32.568 32.500 0.009 0.000 1.383 4188 K HN 0.105 nan 8.250 nan 0.000 0.513 4189 G N 0.279 109.079 108.800 0.000 0.000 2.634 4189 G HA2 0.397 4.357 3.960 -0.001 0.000 0.255 4189 G HA3 0.397 4.357 3.960 -0.001 0.000 0.255 4189 G C -0.499 174.392 174.900 -0.015 0.000 1.205 4189 G CA -0.524 44.571 45.100 -0.009 0.000 0.884 4189 G HN 0.371 nan 8.290 nan 0.000 0.549 4190 I N 0.452 121.005 120.570 -0.028 0.000 2.447 4190 I HA 0.161 4.331 4.170 -0.001 0.000 0.287 4190 I C -0.515 175.566 176.117 -0.059 0.000 1.023 4190 I CA -0.747 60.529 61.300 -0.041 0.000 1.083 4190 I CB 2.039 40.009 38.000 -0.049 0.000 1.245 4190 I HN 0.414 nan 8.210 nan 0.000 0.434 4191 D N 5.365 125.729 120.400 -0.059 0.000 2.414 4191 D HA -0.042 4.597 4.640 -0.001 0.000 0.242 4191 D C 0.667 176.891 176.300 -0.127 0.000 1.129 4191 D CA 0.162 54.117 54.000 -0.074 0.000 0.885 4191 D CB 1.314 42.079 40.800 -0.058 0.000 1.198 4191 D HN 0.500 nan 8.370 nan 0.000 0.437 4192 D N 3.189 123.502 120.400 -0.144 0.000 2.190 4192 D HA -0.182 4.457 4.640 -0.001 0.000 0.200 4192 D C 1.845 177.927 176.300 -0.362 0.000 0.992 4192 D CA 0.555 54.404 54.000 -0.251 0.000 0.854 4192 D CB 0.154 40.848 40.800 -0.177 0.000 0.936 4192 D HN 0.475 nan 8.370 nan 0.000 0.462 4193 L N 0.529 121.631 121.223 -0.201 0.000 2.056 4193 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 4193 L C 2.327 178.980 176.870 -0.362 0.000 1.078 4193 L CA 1.248 55.959 54.840 -0.215 0.000 0.749 4193 L CB -0.144 41.818 42.059 -0.162 0.000 0.901 4193 L HN -0.046 nan 8.230 nan 0.000 0.433 4194 A N -0.848 121.839 122.820 -0.221 0.000 1.969 4194 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 4194 A C 2.063 179.579 177.584 -0.114 0.000 1.169 4194 A CA 1.447 53.409 52.037 -0.125 0.000 0.635 4194 A CB -0.407 18.563 19.000 -0.050 0.000 0.810 4194 A HN 0.595 nan 8.150 nan 0.000 0.445 4195 Q N -1.116 118.565 119.800 -0.199 0.000 2.170 4195 Q HA -0.170 4.169 4.340 -0.001 0.000 0.203 4195 Q C 1.933 177.841 176.000 -0.154 0.000 0.976 4195 Q CA 1.359 57.047 55.803 -0.192 0.000 0.858 4195 Q CB -0.253 28.317 28.738 -0.280 0.000 0.907 4195 Q HN 0.748 nan 8.270 nan 0.000 0.433 4196 H N -0.796 118.209 119.070 -0.110 0.000 2.321 4196 H HA -0.123 4.433 4.556 -0.001 0.000 0.300 4196 H C 1.746 177.114 175.328 0.067 0.000 1.087 4196 H CA 1.261 57.263 56.048 -0.077 0.000 1.319 4196 H CB -0.218 29.430 29.762 -0.189 0.000 1.379 4196 H HN 0.305 nan 8.280 nan 0.000 0.501 4197 Y N 0.658 121.026 120.300 0.113 0.000 2.314 4197 Y HA -0.057 4.492 4.550 -0.001 0.000 0.293 4197 Y C 2.810 178.727 175.900 0.028 0.000 1.129 4197 Y CA 0.110 58.245 58.100 0.057 0.000 1.201 4197 Y CB -0.903 37.582 38.460 0.041 0.000 0.999 4197 Y HN 0.056 nan 8.280 nan 0.000 0.541 4198 L N -0.762 120.561 121.223 0.167 0.000 2.046 4198 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 4198 L C 2.631 179.535 176.870 0.056 0.000 1.077 4198 L CA 1.255 56.140 54.840 0.076 0.000 0.747 4198 L CB -0.779 41.293 42.059 0.021 0.000 0.896 4198 L HN 0.158 nan 8.230 nan 0.000 0.432 4199 A N -0.051 122.808 122.820 0.065 0.000 1.930 4199 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 4199 A C 2.299 179.923 177.584 0.066 0.000 1.175 4199 A CA 1.507 53.578 52.037 0.056 0.000 0.627 4199 A CB -0.308 18.732 19.000 0.067 0.000 0.815 4199 A HN 0.313 nan 8.150 nan 0.000 0.443 4200 K N -0.382 120.079 120.400 0.100 0.000 2.211 4200 K HA -0.084 4.235 4.320 -0.001 0.000 0.203 4200 K C 1.193 177.819 176.600 0.044 0.000 1.050 4200 K CA 1.164 57.498 56.287 0.079 0.000 0.945 4200 K CB 0.006 32.572 32.500 0.110 0.000 0.732 4200 K HN 0.359 nan 8.250 nan 0.000 0.451 4201 E N -0.470 119.757 120.200 0.045 0.000 2.489 4201 E HA 0.023 4.373 4.350 -0.001 0.000 0.193 4201 E C 0.877 177.487 176.600 0.016 0.000 1.057 4201 E CA 0.423 56.836 56.400 0.022 0.000 0.866 4201 E CB 0.640 30.354 29.700 0.022 0.000 0.916 4201 E HN 0.451 nan 8.360 nan 0.000 0.500 4202 G N 1.920 110.731 108.800 0.019 0.000 2.147 4202 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.244 4202 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.244 4202 G C 0.234 175.134 174.900 0.000 0.000 1.005 4202 G CA 0.173 45.279 45.100 0.010 0.000 0.713 4202 G HN 0.269 nan 8.290 nan 0.000 0.515 4203 I N 1.045 121.615 120.570 -0.000 0.000 2.342 4203 I HA 0.422 4.592 4.170 -0.001 0.000 0.291 4203 I C 1.018 177.114 176.117 -0.036 0.000 1.010 4203 I CA -1.088 60.202 61.300 -0.017 0.000 1.308 4203 I CB 1.550 39.543 38.000 -0.012 0.000 1.400 4203 I HN 0.148 nan 8.210 nan 0.000 0.488 4204 V N 3.806 123.684 119.914 -0.061 0.000 2.509 4204 V HA 0.912 5.031 4.120 -0.001 0.000 0.284 4204 V C 0.063 176.062 176.094 -0.158 0.000 1.047 4204 V CA -0.282 61.963 62.300 -0.091 0.000 0.952 4204 V CB 1.174 32.944 31.823 -0.089 0.000 0.988 4204 V HN 0.820 nan 8.190 nan 0.000 0.469 4205 A N 3.619 126.341 122.820 -0.162 0.000 2.515 4205 A HA 0.999 5.318 4.320 -0.001 0.000 0.298 4205 A C -0.329 177.136 177.584 -0.197 0.000 1.059 4205 A CA -0.314 51.601 52.037 -0.202 0.000 0.698 4205 A CB 1.876 20.803 19.000 -0.121 0.000 1.289 4205 A HN 2.330 nan 8.150 nan 0.000 0.404 4206 A N 1.912 124.590 122.820 -0.237 0.000 2.359 4206 A HA 0.739 5.059 4.320 -0.001 0.000 0.303 4206 A C -0.008 177.562 177.584 -0.023 0.000 1.066 4206 A CA -0.649 51.323 52.037 -0.109 0.000 0.730 4206 A CB 0.780 19.735 19.000 -0.076 0.000 1.211 4206 A HN 1.205 nan 8.150 nan 0.000 0.439 4207 R N 1.838 122.334 120.500 -0.007 0.000 2.700 4207 R HA 0.718 5.057 4.340 -0.001 0.000 0.253 4207 R C -0.362 175.954 176.300 0.027 0.000 1.091 4207 R CA -0.782 55.324 56.100 0.009 0.000 1.104 4207 R CB 0.406 30.698 30.300 -0.012 0.000 1.202 4207 R HN 0.493 nan 8.270 nan 0.000 0.532 4208 R N -0.927 119.587 120.500 0.023 0.000 3.516 4208 R HA -0.111 4.229 4.340 -0.001 0.000 0.271 4208 R C -0.680 175.639 176.300 0.032 0.000 1.098 4208 R CA 0.569 56.682 56.100 0.021 0.000 0.732 4208 R CB -2.620 27.686 30.300 0.010 0.000 1.152 4208 R HN 0.528 nan 8.270 nan 0.000 0.455 4209 V N 1.411 121.357 119.914 0.053 0.000 2.572 4209 V HA 0.036 4.155 4.120 -0.001 0.000 0.291 4209 V C 1.467 177.576 176.094 0.024 0.000 1.039 4209 V CA -0.021 62.316 62.300 0.061 0.000 1.055 4209 V CB 1.182 33.073 31.823 0.114 0.000 0.969 4209 V HN 0.153 nan 8.190 nan 0.000 0.482 4210 K N 3.307 123.710 120.400 0.005 0.000 2.382 4210 K HA 0.031 4.350 4.320 -0.001 0.000 0.275 4210 K C 1.209 177.800 176.600 -0.015 0.000 1.009 4210 K CA -0.320 55.962 56.287 -0.008 0.000 0.970 4210 K CB 0.549 33.039 32.500 -0.017 0.000 0.934 4210 K HN 0.608 nan 8.250 nan 0.000 0.479 4211 K N 1.974 122.367 120.400 -0.012 0.000 2.074 4211 K HA -0.198 4.121 4.320 -0.001 0.000 0.209 4211 K C 1.914 178.499 176.600 -0.026 0.000 1.048 4211 K CA 2.229 58.507 56.287 -0.014 0.000 0.926 4211 K CB -0.553 31.941 32.500 -0.010 0.000 0.713 4211 K HN 0.582 nan 8.250 nan 0.000 0.444 4212 S N 0.181 115.863 115.700 -0.029 0.000 2.359 4212 S HA -0.170 4.299 4.470 -0.001 0.000 0.224 4212 S C 1.401 175.966 174.600 -0.058 0.000 1.035 4212 S CA 1.784 59.961 58.200 -0.038 0.000 1.018 4212 S CB -0.554 62.625 63.200 -0.034 0.000 0.876 4212 S HN 0.424 nan 8.310 nan 0.000 0.448 4213 D N 0.916 121.275 120.400 -0.067 0.000 2.144 4213 D HA -0.060 4.580 4.640 -0.001 0.000 0.199 4213 D C 2.001 178.214 176.300 -0.145 0.000 0.984 4213 D CA 0.979 54.913 54.000 -0.111 0.000 0.834 4213 D CB -0.273 40.466 40.800 -0.101 0.000 0.955 4213 D HN 0.382 nan 8.370 nan 0.000 0.465 4214 M N 0.479 120.022 119.600 -0.096 0.000 2.159 4214 M HA -0.087 4.393 4.480 -0.001 0.000 0.263 4214 M C 1.889 178.141 176.300 -0.080 0.000 1.063 4214 M CA 1.201 56.450 55.300 -0.085 0.000 1.110 4214 M CB -0.753 31.828 32.600 -0.031 0.000 1.374 4214 M HN 0.118 nan 8.290 nan 0.000 0.411 4215 E N 0.018 120.179 120.200 -0.065 0.000 2.076 4215 E HA -0.122 4.228 4.350 -0.001 0.000 0.190 4215 E C 2.064 178.625 176.600 -0.064 0.000 0.979 4215 E CA 0.795 57.163 56.400 -0.052 0.000 0.807 4215 E CB 0.014 29.692 29.700 -0.038 0.000 0.761 4215 E HN 0.494 nan 8.360 nan 0.000 0.454 4216 K N 0.680 121.031 120.400 -0.082 0.000 2.097 4216 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 4216 K C 2.197 178.733 176.600 -0.107 0.000 1.049 4216 K CA 0.833 57.069 56.287 -0.086 0.000 0.933 4216 K CB -0.084 32.359 32.500 -0.095 0.000 0.717 4216 K HN 0.106 nan 8.250 nan 0.000 0.442 4217 L N 0.477 121.603 121.223 -0.162 0.000 2.093 4217 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 4217 L C 2.581 179.386 176.870 -0.108 0.000 1.085 4217 L CA 1.033 55.753 54.840 -0.200 0.000 0.755 4217 L CB -0.539 41.294 42.059 -0.377 0.000 0.904 4217 L HN 0.193 nan 8.230 nan 0.000 0.435 4218 A N 0.089 122.862 122.820 -0.078 0.000 1.930 4218 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 4218 A C 2.321 179.890 177.584 -0.025 0.000 1.175 4218 A CA 1.529 53.544 52.037 -0.037 0.000 0.627 4218 A CB -0.281 18.702 19.000 -0.028 0.000 0.815 4218 A HN 0.306 nan 8.150 nan 0.000 0.443 4219 K N -0.315 120.066 120.400 -0.032 0.000 2.026 4219 K HA -0.040 4.279 4.320 -0.001 0.000 0.208 4219 K C 2.333 178.928 176.600 -0.008 0.000 1.048 4219 K CA 1.196 57.472 56.287 -0.019 0.000 0.929 4219 K CB -0.284 32.202 32.500 -0.024 0.000 0.713 4219 K HN 0.437 nan 8.250 nan 0.000 0.439 4220 A N 1.024 123.832 122.820 -0.020 0.000 1.854 4220 A HA -0.124 4.195 4.320 -0.001 0.000 0.214 4220 A C 2.287 179.877 177.584 0.010 0.000 1.192 4220 A CA 2.036 54.068 52.037 -0.007 0.000 0.611 4220 A CB -0.943 18.041 19.000 -0.027 0.000 0.832 4220 A HN 0.452 nan 8.150 nan 0.000 0.442 4221 T N -4.301 110.254 114.554 0.001 0.000 3.043 4221 T HA 0.357 4.707 4.350 -0.001 0.000 0.263 4221 T C 1.485 176.203 174.700 0.030 0.000 1.094 4221 T CA 1.235 63.346 62.100 0.020 0.000 1.127 4221 T CB -0.134 68.747 68.868 0.021 0.000 0.905 4221 T HN 1.772 nan 8.240 nan 0.000 0.490 4222 G N 1.527 110.339 108.800 0.020 0.000 2.143 4222 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.248 4222 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.248 4222 G C 0.282 175.194 174.900 0.020 0.000 0.991 4222 G CA 0.036 45.149 45.100 0.022 0.000 0.689 4222 G HN 1.209 nan 8.290 nan 0.000 0.522 4223 A N -0.327 122.504 122.820 0.018 0.000 2.445 4223 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 4223 A C 0.459 178.053 177.584 0.017 0.000 1.075 4223 A CA 0.552 52.604 52.037 0.025 0.000 0.777 4223 A CB 0.377 19.397 19.000 0.034 0.000 1.013 4223 A HN 0.818 nan 8.150 nan 0.000 0.493 4224 N N 1.659 120.371 118.700 0.021 0.000 2.444 4224 N HA 0.359 5.098 4.740 -0.001 0.000 0.262 4224 N C -0.874 174.648 175.510 0.020 0.000 0.974 4224 N CA -0.356 52.703 53.050 0.016 0.000 0.933 4224 N CB 1.159 39.655 38.487 0.015 0.000 1.137 4224 N HN 0.288 nan 8.380 nan 0.000 0.498 4225 V N 4.911 124.833 119.914 0.014 0.000 2.485 4225 V HA 0.141 4.261 4.120 -0.001 0.000 0.287 4225 V C 0.400 176.505 176.094 0.017 0.000 1.022 4225 V CA -0.065 62.246 62.300 0.017 0.000 1.067 4225 V CB -0.123 31.706 31.823 0.009 0.000 0.967 4225 V HN 0.516 nan 8.190 nan 0.000 0.479 4226 I N 4.131 124.715 120.570 0.022 0.000 2.441 4226 I HA 0.438 4.608 4.170 -0.001 0.000 0.295 4226 I C 0.986 177.114 176.117 0.018 0.000 0.994 4226 I CA -0.337 60.974 61.300 0.019 0.000 1.144 4226 I CB 1.314 39.327 38.000 0.021 0.000 1.314 4226 I HN 0.635 nan 8.210 nan 0.000 0.445 4227 A N 5.621 128.450 122.820 0.014 0.000 1.832 4227 A HA 0.355 4.675 4.320 -0.001 0.000 0.214 4227 A C 1.078 178.671 177.584 0.014 0.000 1.204 4227 A CA 1.094 53.139 52.037 0.013 0.000 0.606 4227 A CB -0.176 18.831 19.000 0.010 0.000 0.849 4227 A HN 0.733 nan 8.150 nan 0.000 0.445 4228 A N -1.023 121.805 122.820 0.013 0.000 2.317 4228 A HA 0.645 4.965 4.320 -0.001 0.000 0.327 4228 A C 0.737 178.329 177.584 0.014 0.000 1.178 4228 A CA -0.594 51.451 52.037 0.013 0.000 0.817 4228 A CB 0.403 19.409 19.000 0.011 0.000 1.189 4228 A HN 0.364 nan 8.150 nan 0.000 0.489 4229 I N 1.819 122.398 120.570 0.015 0.000 2.335 4229 I HA -0.332 3.838 4.170 -0.001 0.000 0.251 4229 I C 2.755 178.881 176.117 0.014 0.000 1.129 4229 I CA 1.636 62.946 61.300 0.016 0.000 1.402 4229 I CB -0.247 37.763 38.000 0.016 0.000 1.069 4229 I HN 0.779 nan 8.210 nan 0.000 0.424 4230 A N 0.820 123.647 122.820 0.012 0.000 1.917 4230 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 4230 A C 2.505 180.095 177.584 0.010 0.000 1.182 4230 A CA 2.091 54.135 52.037 0.010 0.000 0.633 4230 A CB -0.746 18.259 19.000 0.009 0.000 0.819 4230 A HN 0.459 nan 8.150 nan 0.000 0.448 4231 A N -1.298 121.529 122.820 0.011 0.000 2.067 4231 A HA 0.291 4.610 4.320 -0.001 0.000 0.217 4231 A C 1.024 178.615 177.584 0.012 0.000 1.156 4231 A CA 0.474 52.517 52.037 0.011 0.000 0.683 4231 A CB -0.452 18.555 19.000 0.010 0.000 0.808 4231 A HN 0.598 nan 8.150 nan 0.000 0.455 4232 L N 1.818 123.049 121.223 0.014 0.000 2.477 4232 L HA 0.360 4.700 4.340 -0.001 0.000 0.272 4232 L C 0.379 177.258 176.870 0.015 0.000 1.157 4232 L CA 0.503 55.353 54.840 0.016 0.000 0.889 4232 L CB 0.386 42.457 42.059 0.019 0.000 1.158 4232 L HN 0.344 nan 8.230 nan 0.000 0.473 4233 S N 3.376 119.085 115.700 0.015 0.000 2.704 4233 S HA 0.781 5.251 4.470 -0.001 0.000 0.296 4233 S C 0.836 175.445 174.600 0.016 0.000 1.138 4233 S CA -0.349 57.859 58.200 0.014 0.000 0.875 4233 S CB 1.276 64.484 63.200 0.012 0.000 1.151 4233 S HN 0.810 nan 8.310 nan 0.000 0.500 4234 A N 0.373 123.202 122.820 0.015 0.000 2.024 4234 A HA -0.082 4.238 4.320 -0.001 0.000 0.220 4234 A C 2.022 179.616 177.584 0.018 0.000 1.164 4234 A CA 1.528 53.575 52.037 0.016 0.000 0.643 4234 A CB -1.060 17.948 19.000 0.014 0.000 0.806 4234 A HN 0.857 nan 8.150 nan 0.000 0.451 4235 Q N -0.518 119.292 119.800 0.016 0.000 2.436 4235 Q HA -0.100 4.239 4.340 -0.001 0.000 0.209 4235 Q C 0.546 176.557 176.000 0.018 0.000 0.965 4235 Q CA 0.982 56.795 55.803 0.016 0.000 0.910 4235 Q CB 0.011 28.756 28.738 0.013 0.000 0.980 4235 Q HN 0.612 nan 8.270 nan 0.000 0.491 4236 D N -0.204 120.208 120.400 0.020 0.000 2.350 4236 D HA 0.015 4.655 4.640 -0.001 0.000 0.213 4236 D C -0.148 176.169 176.300 0.028 0.000 1.031 4236 D CA 0.222 54.235 54.000 0.022 0.000 0.861 4236 D CB 0.374 41.187 40.800 0.021 0.000 0.926 4236 D HN 0.096 nan 8.370 nan 0.000 0.520 4237 L N 0.965 122.206 121.223 0.031 0.000 2.380 4237 L HA 0.325 4.665 4.340 -0.001 0.000 0.273 4237 L C 1.284 178.178 176.870 0.040 0.000 1.138 4237 L CA -0.034 54.830 54.840 0.039 0.000 0.832 4237 L CB 1.015 43.096 42.059 0.036 0.000 1.124 4237 L HN -0.174 nan 8.230 nan 0.000 0.454 4238 G N 1.180 110.009 108.800 0.048 0.000 2.488 4238 G HA2 0.535 4.494 3.960 -0.001 0.000 0.318 4238 G HA3 0.535 4.494 3.960 -0.001 0.000 0.318 4238 G C -1.110 173.820 174.900 0.051 0.000 1.188 4238 G CA -0.461 44.667 45.100 0.046 0.000 0.944 4238 G HN 0.529 nan 8.290 nan 0.000 0.495 4239 D N -0.393 120.036 120.400 0.047 0.000 2.350 4239 D HA 0.661 5.301 4.640 -0.001 0.000 0.245 4239 D C -0.249 176.077 176.300 0.044 0.000 1.036 4239 D CA 0.067 54.093 54.000 0.045 0.000 0.848 4239 D CB 1.971 42.794 40.800 0.039 0.000 1.307 4239 D HN 0.592 nan 8.370 nan 0.000 0.469 4240 A N 0.303 123.150 122.820 0.046 0.000 2.488 4240 A HA 0.622 4.942 4.320 -0.001 0.000 0.298 4240 A C 0.961 178.567 177.584 0.037 0.000 1.044 4240 A CA -0.413 51.651 52.037 0.045 0.000 0.693 4240 A CB 1.614 20.655 19.000 0.069 0.000 1.272 4240 A HN 0.486 nan 8.150 nan 0.000 0.402 4241 G N 0.326 109.141 108.800 0.025 0.000 2.408 4241 G HA2 0.300 4.259 3.960 -0.001 0.000 0.217 4241 G HA3 0.300 4.259 3.960 -0.001 0.000 0.217 4241 G C 0.284 175.200 174.900 0.026 0.000 1.150 4241 G CA 1.653 46.764 45.100 0.018 0.000 0.776 4241 G HN 1.221 nan 8.290 nan 0.000 0.542 4242 L N 0.118 121.364 121.223 0.039 0.000 2.562 4242 L HA 0.584 4.923 4.340 -0.001 0.000 0.266 4242 L C -1.333 175.584 176.870 0.077 0.000 0.949 4242 L CA -0.733 54.135 54.840 0.047 0.000 0.879 4242 L CB 2.420 44.499 42.059 0.033 0.000 1.278 4242 L HN -0.148 nan 8.230 nan 0.000 0.404 4243 V N 4.494 124.458 119.914 0.084 0.000 2.334 4243 V HA 0.625 4.745 4.120 -0.001 0.000 0.281 4243 V C -0.365 175.791 176.094 0.103 0.000 1.016 4243 V CA -0.426 61.947 62.300 0.121 0.000 0.832 4243 V CB 1.391 33.295 31.823 0.136 0.000 0.999 4243 V HN 0.823 nan 8.190 nan 0.000 0.439 4244 E N 3.268 123.551 120.200 0.138 0.000 2.292 4244 E HA 0.389 4.738 4.350 -0.001 0.000 0.272 4244 E C -0.880 175.820 176.600 0.167 0.000 0.881 4244 E CA -0.681 55.784 56.400 0.108 0.000 0.754 4244 E CB 2.066 31.800 29.700 0.057 0.000 1.201 4244 E HN 0.742 nan 8.360 nan 0.000 0.425 4245 E N 4.421 124.689 120.200 0.114 0.000 2.129 4245 E HA 0.199 4.549 4.350 -0.001 0.000 0.283 4245 E C -0.865 175.801 176.600 0.110 0.000 1.080 4245 E CA -0.157 56.320 56.400 0.128 0.000 0.867 4245 E CB 0.601 30.344 29.700 0.072 0.000 1.056 4245 E HN 0.346 nan 8.360 nan 0.000 0.404 4246 R N 3.597 124.207 120.500 0.183 0.000 2.750 4246 R HA 0.412 4.752 4.340 -0.001 0.000 0.281 4246 R C -0.682 175.708 176.300 0.149 0.000 0.972 4246 R CA -0.924 55.229 56.100 0.088 0.000 0.912 4246 R CB 1.967 32.185 30.300 -0.136 0.000 1.187 4246 R HN 0.329 nan 8.270 nan 0.000 0.464 4247 K N 1.971 122.414 120.400 0.071 0.000 2.159 4247 K HA 0.459 4.778 4.320 -0.001 0.000 0.266 4247 K C -0.756 175.888 176.600 0.074 0.000 0.975 4247 K CA -0.458 55.873 56.287 0.074 0.000 0.865 4247 K CB 1.736 34.259 32.500 0.039 0.000 1.087 4247 K HN 0.434 nan 8.250 nan 0.000 0.446 4248 I N 1.414 122.038 120.570 0.091 0.000 2.468 4248 I HA 0.056 4.226 4.170 -0.001 0.000 0.285 4248 I C -0.635 175.513 176.117 0.051 0.000 1.039 4248 I CA -0.018 61.330 61.300 0.080 0.000 1.074 4248 I CB 1.324 39.403 38.000 0.132 0.000 1.228 4248 I HN 0.700 nan 8.210 nan 0.000 0.436 4249 S N 4.742 120.462 115.700 0.033 0.000 3.587 4249 S HA -0.198 4.272 4.470 -0.001 0.000 0.337 4249 S C 1.070 175.681 174.600 0.019 0.000 1.119 4249 S CA 1.182 59.395 58.200 0.021 0.000 0.976 4249 S CB -1.612 61.599 63.200 0.018 0.000 0.922 4249 S HN 1.594 nan 8.310 nan 0.000 0.503 4250 G N 0.089 108.902 108.800 0.022 0.000 2.284 4250 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.230 4250 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.230 4250 G C -0.417 174.499 174.900 0.026 0.000 1.021 4250 G CA 0.123 45.234 45.100 0.020 0.000 0.619 4250 G HN 0.596 nan 8.290 nan 0.000 0.510 4251 D N 1.262 121.681 120.400 0.031 0.000 2.308 4251 D HA 0.471 5.111 4.640 -0.001 0.000 0.251 4251 D C 0.303 176.635 176.300 0.054 0.000 1.127 4251 D CA 0.497 54.517 54.000 0.034 0.000 0.876 4251 D CB 1.614 42.429 40.800 0.025 0.000 1.176 4251 D HN 0.197 nan 8.370 nan 0.000 0.446 4252 S N 2.911 118.640 115.700 0.048 0.000 2.481 4252 S HA 0.399 4.869 4.470 -0.001 0.000 0.276 4252 S C -0.229 174.413 174.600 0.070 0.000 1.247 4252 S CA -0.402 57.838 58.200 0.067 0.000 1.053 4252 S CB 0.035 63.264 63.200 0.047 0.000 0.925 4252 S HN 0.313 nan 8.310 nan 0.000 0.491 4253 M N 4.477 124.147 119.600 0.117 0.000 2.619 4253 M HA 0.532 5.012 4.480 -0.001 0.000 0.297 4253 M C -1.068 175.306 176.300 0.124 0.000 1.229 4253 M CA -0.638 54.700 55.300 0.062 0.000 0.860 4253 M CB 2.152 34.736 32.600 -0.026 0.000 1.741 4253 M HN 0.438 nan 8.290 nan 0.000 0.462 4254 I N 1.686 122.269 120.570 0.021 0.000 2.339 4254 I HA 0.362 4.532 4.170 -0.001 0.000 0.290 4254 I C -1.346 174.753 176.117 -0.030 0.000 0.994 4254 I CA -0.368 61.002 61.300 0.116 0.000 1.191 4254 I CB 0.932 39.034 38.000 0.169 0.000 1.343 4254 I HN 0.437 nan 8.210 nan 0.000 0.458 4255 F N 5.969 125.956 119.950 0.061 0.000 2.385 4255 F HA 0.379 4.906 4.527 -0.001 0.000 0.360 4255 F C 0.092 175.926 175.800 0.056 0.000 1.122 4255 F CA -0.771 57.255 58.000 0.044 0.000 1.090 4255 F CB 1.363 40.379 39.000 0.027 0.000 1.150 4255 F HN 0.015 nan 8.300 nan 0.000 0.472 4256 V N 4.423 124.431 119.914 0.157 0.000 2.311 4256 V HA 0.398 4.517 4.120 -0.001 0.000 0.275 4256 V C -0.299 175.851 176.094 0.094 0.000 1.022 4256 V CA -0.534 61.837 62.300 0.117 0.000 0.830 4256 V CB 0.566 32.424 31.823 0.057 0.000 1.012 4256 V HN 0.838 nan 8.190 nan 0.000 0.452 4257 E N 3.139 123.397 120.200 0.097 0.000 2.446 4257 E HA 0.622 4.972 4.350 -0.001 0.000 0.276 4257 E C -0.668 175.959 176.600 0.044 0.000 0.969 4257 E CA -0.877 55.566 56.400 0.072 0.000 0.800 4257 E CB 1.682 31.436 29.700 0.091 0.000 1.341 4257 E HN 0.219 nan 8.360 nan 0.000 0.460 4258 E N -1.205 119.009 120.200 0.023 0.000 3.181 4258 E HA -0.156 4.193 4.350 -0.001 0.000 0.293 4258 E C -0.552 176.043 176.600 -0.009 0.000 0.936 4258 E CA 0.748 57.150 56.400 0.002 0.000 0.975 4258 E CB -2.398 27.306 29.700 0.006 0.000 1.496 4258 E HN 0.593 nan 8.360 nan 0.000 0.429 4259 C N 0.970 120.267 119.300 -0.005 0.000 2.689 4259 C HA 0.068 4.528 4.460 -0.001 0.000 0.409 4259 C C 2.304 177.257 174.990 -0.061 0.000 1.293 4259 C CA -0.026 58.985 59.018 -0.011 0.000 2.136 4259 C CB 0.419 28.162 27.740 0.005 0.000 2.719 4259 C HN 0.355 nan 8.230 nan 0.000 0.644 4260 K N 0.418 120.774 120.400 -0.072 0.000 2.001 4260 K HA -0.133 4.187 4.320 -0.001 0.000 0.214 4260 K C 0.064 176.376 176.600 -0.481 0.000 1.050 4260 K CA 1.784 57.938 56.287 -0.221 0.000 0.934 4260 K CB -0.137 32.325 32.500 -0.065 0.000 0.718 4260 K HN 0.732 nan 8.250 nan 0.000 0.443 4261 H N -0.403 118.671 119.070 0.007 0.000 2.488 4261 H HA 0.202 4.757 4.556 -0.001 0.000 0.237 4261 H C -2.591 172.738 175.328 0.002 0.000 1.395 4261 H CA -1.752 54.299 56.048 0.005 0.000 1.491 4261 H CB 0.699 30.463 29.762 0.003 0.000 1.567 4261 H HN 0.121 nan 8.280 nan 0.000 0.508 4262 P HA 0.064 nan 4.420 nan 0.000 0.271 4262 P C 0.148 177.472 177.300 0.040 0.000 1.220 4262 P CA -0.520 62.602 63.100 0.037 0.000 0.768 4262 P CB 1.572 33.281 31.700 0.015 0.000 0.848 4263 K N 1.049 121.465 120.400 0.027 0.000 2.399 4263 K HA 0.458 4.778 4.320 -0.001 0.000 0.204 4263 K C 0.374 176.976 176.600 0.004 0.000 1.023 4263 K CA -0.290 56.008 56.287 0.019 0.000 1.127 4263 K CB 0.492 33.001 32.500 0.015 0.000 0.856 4263 K HN 0.542 nan 8.250 nan 0.000 0.514 4264 A N 0.515 123.334 122.820 -0.002 0.000 2.486 4264 A HA 0.662 4.981 4.320 -0.001 0.000 0.300 4264 A C -0.596 176.982 177.584 -0.010 0.000 1.048 4264 A CA -0.726 51.304 52.037 -0.012 0.000 0.696 4264 A CB 1.474 20.458 19.000 -0.027 0.000 1.278 4264 A HN -0.040 nan 8.150 nan 0.000 0.405 4265 V N -1.087 118.821 119.914 -0.010 0.000 3.074 4265 V HA 0.966 5.086 4.120 -0.001 0.000 0.314 4265 V C -0.434 175.652 176.094 -0.014 0.000 1.117 4265 V CA -0.579 61.718 62.300 -0.006 0.000 1.014 4265 V CB 1.714 33.539 31.823 0.003 0.000 1.057 4265 V HN 0.852 nan 8.190 nan 0.000 0.438 4266 T N 4.094 118.642 114.554 -0.010 0.000 2.841 4266 T HA 0.513 4.862 4.350 -0.001 0.000 0.285 4266 T C -0.516 174.182 174.700 -0.003 0.000 0.991 4266 T CA -0.212 61.876 62.100 -0.021 0.000 0.966 4266 T CB 1.345 70.184 68.868 -0.049 0.000 0.962 4266 T HN 0.957 nan 8.240 nan 0.000 0.438 4267 M N 4.895 124.491 119.600 -0.006 0.000 2.063 4267 M HA 0.477 4.956 4.480 -0.001 0.000 0.348 4267 M C -1.152 175.150 176.300 0.003 0.000 1.180 4267 M CA -0.708 54.594 55.300 0.004 0.000 1.059 4267 M CB 0.273 32.875 32.600 0.002 0.000 1.544 4267 M HN 0.532 nan 8.290 nan 0.000 0.447 4268 L N 7.305 128.540 121.223 0.019 0.000 2.259 4268 L HA 0.466 4.806 4.340 -0.001 0.000 0.288 4268 L C -1.041 175.844 176.870 0.025 0.000 1.051 4268 L CA -0.410 54.445 54.840 0.025 0.000 0.824 4268 L CB 0.441 42.539 42.059 0.064 0.000 1.206 4268 L HN 0.754 nan 8.230 nan 0.000 0.429 4269 I N 5.534 126.113 120.570 0.014 0.000 2.325 4269 I HA 0.318 4.488 4.170 -0.001 0.000 0.291 4269 I C 0.227 176.352 176.117 0.014 0.000 1.019 4269 I CA -0.304 61.004 61.300 0.013 0.000 1.302 4269 I CB 0.860 38.865 38.000 0.007 0.000 1.401 4269 I HN 0.578 nan 8.210 nan 0.000 0.485 4270 R N 4.031 124.540 120.500 0.016 0.000 2.828 4270 R HA 0.898 5.237 4.340 -0.001 0.000 0.264 4270 R C -0.238 176.069 176.300 0.012 0.000 1.022 4270 R CA -0.975 55.135 56.100 0.016 0.000 1.021 4270 R CB 2.156 32.468 30.300 0.020 0.000 1.163 4270 R HN 0.831 nan 8.270 nan 0.000 0.494 4271 G N -0.906 107.900 108.800 0.010 0.000 2.340 4271 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.298 4271 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.298 4271 G C -0.090 174.814 174.900 0.007 0.000 1.498 4271 G CA -0.479 44.627 45.100 0.010 0.000 0.847 4271 G HN 0.413 nan 8.290 nan 0.000 0.594 4272 T N -0.670 113.890 114.554 0.010 0.000 2.995 4272 T HA 0.279 4.628 4.350 -0.001 0.000 0.269 4272 T C 0.782 175.486 174.700 0.006 0.000 1.091 4272 T CA 2.170 64.276 62.100 0.009 0.000 1.128 4272 T CB -0.219 68.656 68.868 0.013 0.000 0.891 4272 T HN 0.701 nan 8.240 nan 0.000 0.492 4273 T N 1.028 115.586 114.554 0.006 0.000 2.956 4273 T HA 0.272 4.622 4.350 -0.001 0.000 0.312 4273 T C 0.275 174.959 174.700 -0.026 0.000 1.151 4273 T CA -0.776 61.322 62.100 -0.004 0.000 1.024 4273 T CB 2.165 71.050 68.868 0.029 0.000 1.140 4273 T HN -0.109 nan 8.240 nan 0.000 0.473 4274 E N 1.013 121.157 120.200 -0.093 0.000 2.070 4274 E HA -0.198 4.152 4.350 -0.001 0.000 0.197 4274 E C 1.667 178.193 176.600 -0.125 0.000 1.004 4274 E CA 1.672 57.982 56.400 -0.150 0.000 0.805 4274 E CB -0.071 29.470 29.700 -0.266 0.000 0.744 4274 E HN 0.560 nan 8.360 nan 0.000 0.451 4275 H N -0.238 118.835 119.070 0.005 0.000 2.491 4275 H HA -0.010 4.546 4.556 -0.001 0.000 0.290 4275 H C 2.266 177.597 175.328 0.005 0.000 1.050 4275 H CA 0.616 56.666 56.048 0.004 0.000 1.309 4275 H CB -0.041 29.724 29.762 0.004 0.000 1.392 4275 H HN -0.009 nan 8.280 nan 0.000 0.554 4276 V N 1.896 121.876 119.914 0.109 0.000 2.323 4276 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 4276 V C 2.582 178.702 176.094 0.044 0.000 1.041 4276 V CA 1.606 63.945 62.300 0.065 0.000 1.025 4276 V CB -0.456 31.394 31.823 0.046 0.000 0.656 4276 V HN 0.413 nan 8.190 nan 0.000 0.451 4277 I N -1.905 118.682 120.570 0.028 0.000 3.111 4277 I HA -0.035 4.135 4.170 -0.001 0.000 0.272 4277 I C 2.061 178.190 176.117 0.019 0.000 1.268 4277 I CA 1.216 62.526 61.300 0.017 0.000 1.467 4277 I CB -0.556 37.446 38.000 0.004 0.000 1.087 4277 I HN 0.279 nan 8.210 nan 0.000 0.467 4278 E N 1.534 121.753 120.200 0.032 0.000 2.106 4278 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 4278 E C 1.960 178.583 176.600 0.039 0.000 0.984 4278 E CA 1.114 57.539 56.400 0.042 0.000 0.806 4278 E CB 0.040 29.790 29.700 0.082 0.000 0.750 4278 E HN 0.538 nan 8.360 nan 0.000 0.458 4279 E N 0.331 120.556 120.200 0.043 0.000 2.107 4279 E HA -0.099 4.251 4.350 -0.001 0.000 0.191 4279 E C 2.316 178.931 176.600 0.025 0.000 0.982 4279 E CA 0.554 56.973 56.400 0.032 0.000 0.809 4279 E CB -0.043 29.677 29.700 0.034 0.000 0.756 4279 E HN 0.126 nan 8.360 nan 0.000 0.459 4280 V N 1.842 121.770 119.914 0.024 0.000 2.358 4280 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 4280 V C 2.499 178.602 176.094 0.014 0.000 1.047 4280 V CA 1.725 64.036 62.300 0.018 0.000 1.035 4280 V CB -0.886 30.947 31.823 0.017 0.000 0.658 4280 V HN 0.223 nan 8.190 nan 0.000 0.452 4281 A N 0.441 123.269 122.820 0.013 0.000 1.892 4281 A HA -0.307 4.013 4.320 -0.001 0.000 0.218 4281 A C 2.318 179.908 177.584 0.009 0.000 1.188 4281 A CA 2.480 54.522 52.037 0.009 0.000 0.631 4281 A CB -0.550 18.455 19.000 0.007 0.000 0.822 4281 A HN 0.468 nan 8.150 nan 0.000 0.447 4282 R N -0.070 120.437 120.500 0.012 0.000 2.090 4282 R HA 0.070 4.409 4.340 -0.001 0.000 0.228 4282 R C 2.161 178.467 176.300 0.011 0.000 1.110 4282 R CA 1.758 57.865 56.100 0.011 0.000 0.973 4282 R CB -0.882 29.425 30.300 0.012 0.000 0.869 4282 R HN 0.390 nan 8.270 nan 0.000 0.440 4283 A N 0.144 122.972 122.820 0.013 0.000 1.908 4283 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 4283 A C 2.161 179.752 177.584 0.012 0.000 1.181 4283 A CA 1.974 54.020 52.037 0.014 0.000 0.627 4283 A CB -0.854 18.157 19.000 0.017 0.000 0.818 4283 A HN 0.314 nan 8.150 nan 0.000 0.445 4284 V N -2.279 117.641 119.914 0.010 0.000 2.951 4284 V HA -0.046 4.074 4.120 -0.001 0.000 0.255 4284 V C 1.776 177.873 176.094 0.006 0.000 1.088 4284 V CA 2.142 64.446 62.300 0.008 0.000 1.109 4284 V CB -0.666 31.161 31.823 0.007 0.000 0.724 4284 V HN 0.452 nan 8.190 nan 0.000 0.471 4285 D N 1.152 121.555 120.400 0.005 0.000 2.178 4285 D HA -0.189 4.450 4.640 -0.001 0.000 0.201 4285 D C 1.682 177.985 176.300 0.004 0.000 0.980 4285 D CA 1.775 55.777 54.000 0.004 0.000 0.842 4285 D CB -0.043 40.759 40.800 0.003 0.000 0.948 4285 D HN 0.514 nan 8.370 nan 0.000 0.472 4286 D N -0.511 119.892 120.400 0.006 0.000 2.149 4286 D HA 0.035 4.674 4.640 -0.001 0.000 0.206 4286 D C 2.042 178.347 176.300 0.007 0.000 0.967 4286 D CA 1.253 55.258 54.000 0.007 0.000 0.848 4286 D CB -0.612 40.193 40.800 0.009 0.000 0.998 4286 D HN 0.253 nan 8.370 nan 0.000 0.474 4287 A N 0.849 123.674 122.820 0.008 0.000 1.908 4287 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 4287 A C 2.368 179.956 177.584 0.006 0.000 1.181 4287 A CA 1.425 53.466 52.037 0.008 0.000 0.627 4287 A CB -0.923 18.081 19.000 0.008 0.000 0.818 4287 A HN 0.188 nan 8.150 nan 0.000 0.445 4288 V N -0.154 119.763 119.914 0.005 0.000 2.759 4288 V HA -0.073 4.047 4.120 -0.001 0.000 0.256 4288 V C 2.258 178.355 176.094 0.004 0.000 1.080 4288 V CA 2.112 64.415 62.300 0.004 0.000 1.101 4288 V CB -0.615 31.210 31.823 0.003 0.000 0.698 4288 V HN 0.570 nan 8.190 nan 0.000 0.477 4289 G N -0.242 108.561 108.800 0.004 0.000 2.395 4289 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.214 4289 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.214 4289 G C 1.616 176.519 174.900 0.005 0.000 1.177 4289 G CA 1.218 46.321 45.100 0.004 0.000 0.794 4289 G HN 0.660 nan 8.290 nan 0.000 0.532 4290 V N -1.074 118.843 119.914 0.006 0.000 2.871 4290 V HA 0.002 4.121 4.120 -0.001 0.000 0.256 4290 V C 2.574 178.672 176.094 0.006 0.000 1.082 4290 V CA 1.199 63.503 62.300 0.007 0.000 1.105 4290 V CB -0.364 31.464 31.823 0.008 0.000 0.713 4290 V HN 0.114 nan 8.190 nan 0.000 0.473 4291 V N 2.012 121.930 119.914 0.006 0.000 2.379 4291 V HA -0.005 4.114 4.120 -0.001 0.000 0.245 4291 V C 2.920 179.017 176.094 0.005 0.000 1.044 4291 V CA 2.125 64.428 62.300 0.005 0.000 1.036 4291 V CB -1.318 30.508 31.823 0.004 0.000 0.664 4291 V HN 0.605 nan 8.190 nan 0.000 0.453 4292 G N -1.368 107.435 108.800 0.005 0.000 2.418 4292 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.217 4292 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.217 4292 G C 1.887 176.790 174.900 0.005 0.000 1.158 4292 G CA 1.199 46.302 45.100 0.004 0.000 0.771 4292 G HN 0.529 nan 8.290 nan 0.000 0.545 4293 C N 0.533 119.836 119.300 0.005 0.000 2.429 4293 C HA -0.021 4.438 4.460 -0.001 0.000 0.277 4293 C C 3.150 178.144 174.990 0.007 0.000 1.262 4293 C CA 2.001 61.022 59.018 0.006 0.000 1.733 4293 C CB -1.051 26.693 27.740 0.007 0.000 2.010 4293 C HN 0.400 nan 8.230 nan 0.000 0.483 4294 T N 1.017 115.575 114.554 0.007 0.000 2.833 4294 T HA -0.088 4.262 4.350 -0.001 0.000 0.269 4294 T C 1.570 176.273 174.700 0.006 0.000 1.054 4294 T CA 1.812 63.916 62.100 0.007 0.000 1.135 4294 T CB -0.247 68.625 68.868 0.006 0.000 0.869 4294 T HN 0.590 nan 8.240 nan 0.000 0.466 4295 I N 0.631 121.205 120.570 0.005 0.000 2.286 4295 I HA -0.074 4.096 4.170 -0.001 0.000 0.245 4295 I C 2.538 178.658 176.117 0.005 0.000 1.104 4295 I CA 1.203 62.506 61.300 0.005 0.000 1.397 4295 I CB -0.254 37.749 38.000 0.005 0.000 1.072 4295 I HN 0.261 nan 8.210 nan 0.000 0.417 4296 E N 0.163 120.366 120.200 0.005 0.000 2.152 4296 E HA -0.081 4.269 4.350 -0.001 0.000 0.192 4296 E C -0.114 176.490 176.600 0.006 0.000 0.983 4296 E CA 0.700 57.103 56.400 0.005 0.000 0.818 4296 E CB 0.221 29.924 29.700 0.005 0.000 0.758 4296 E HN 0.375 nan 8.360 nan 0.000 0.467 4297 D N -0.532 119.872 120.400 0.007 0.000 2.505 4297 D HA 0.140 4.779 4.640 -0.001 0.000 0.250 4297 D C -0.060 176.244 176.300 0.008 0.000 1.164 4297 D CA -0.165 53.840 54.000 0.008 0.000 0.870 4297 D CB 1.719 42.525 40.800 0.009 0.000 1.160 4297 D HN 0.084 nan 8.370 nan 0.000 0.549 4298 G N 2.061 110.866 108.800 0.008 0.000 3.279 4298 G HA2 0.005 3.964 3.960 -0.001 0.000 0.230 4298 G HA3 0.005 3.964 3.960 -0.001 0.000 0.230 4298 G C 0.616 175.521 174.900 0.009 0.000 1.230 4298 G CA -0.096 45.009 45.100 0.007 0.000 0.891 4298 G HN 0.096 nan 8.290 nan 0.000 0.518 4299 R N -0.069 120.437 120.500 0.010 0.000 2.437 4299 R HA 0.608 4.948 4.340 -0.001 0.000 0.310 4299 R C -0.476 175.831 176.300 0.012 0.000 0.955 4299 R CA -0.574 55.533 56.100 0.012 0.000 0.851 4299 R CB 1.520 31.828 30.300 0.013 0.000 1.161 4299 R HN 0.304 nan 8.270 nan 0.000 0.446 4300 I N -0.197 120.381 120.570 0.013 0.000 3.042 4300 I HA 0.843 5.013 4.170 -0.001 0.000 0.310 4300 I C -0.547 175.580 176.117 0.016 0.000 1.117 4300 I CA -1.246 60.062 61.300 0.013 0.000 1.003 4300 I CB 2.161 40.168 38.000 0.011 0.000 1.228 4300 I HN 0.315 nan 8.210 nan 0.000 0.443 4301 V N 0.140 120.065 119.914 0.017 0.000 3.130 4301 V HA 0.839 4.959 4.120 -0.001 0.000 0.310 4301 V C 0.071 176.179 176.094 0.023 0.000 1.158 4301 V CA -0.405 61.908 62.300 0.021 0.000 1.029 4301 V CB 1.162 32.999 31.823 0.024 0.000 1.057 4301 V HN 1.156 nan 8.190 nan 0.000 0.436 4302 S N 1.519 117.236 115.700 0.028 0.000 2.576 4302 S HA 0.700 5.170 4.470 -0.001 0.000 0.276 4302 S C 0.488 175.107 174.600 0.031 0.000 1.339 4302 S CA 0.154 58.372 58.200 0.030 0.000 1.039 4302 S CB 0.898 64.120 63.200 0.037 0.000 0.902 4302 S HN 1.802 nan 8.310 nan 0.000 0.516 4303 G N 0.071 108.890 108.800 0.031 0.000 2.641 4303 G HA2 0.556 4.516 3.960 -0.001 0.000 0.239 4303 G HA3 0.556 4.516 3.960 -0.001 0.000 0.239 4303 G C 0.893 175.812 174.900 0.031 0.000 1.402 4303 G CA -0.563 44.554 45.100 0.029 0.000 1.046 4303 G HN 2.025 nan 8.290 nan 0.000 0.565 4304 G N -2.226 106.592 108.800 0.029 0.000 2.155 4304 G HA2 0.237 4.196 3.960 -0.001 0.000 0.257 4304 G HA3 0.237 4.196 3.960 -0.001 0.000 0.257 4304 G C 1.460 176.361 174.900 0.003 0.000 0.983 4304 G CA 1.159 46.273 45.100 0.025 0.000 0.676 4304 G HN 2.515 nan 8.290 nan 0.000 0.528 4305 G N -1.294 107.501 108.800 -0.009 0.000 2.157 4305 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.248 4305 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.248 4305 G C 1.417 176.287 174.900 -0.049 0.000 0.979 4305 G CA 1.653 46.732 45.100 -0.035 0.000 0.650 4305 G HN 1.938 nan 8.290 nan 0.000 0.529 4306 S N 0.058 115.754 115.700 -0.007 0.000 2.368 4306 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 4306 S C 2.799 177.390 174.600 -0.015 0.000 1.030 4306 S CA 2.802 61.017 58.200 0.026 0.000 0.999 4306 S CB -0.528 62.739 63.200 0.112 0.000 0.844 4306 S HN 1.409 nan 8.310 nan 0.000 0.459 4307 T N -0.397 114.158 114.554 0.001 0.000 2.701 4307 T HA -0.046 4.303 4.350 -0.001 0.000 0.263 4307 T C 1.564 176.230 174.700 -0.058 0.000 1.040 4307 T CA 1.541 63.640 62.100 -0.001 0.000 1.147 4307 T CB -0.873 68.000 68.868 0.008 0.000 0.865 4307 T HN 0.405 nan 8.240 nan 0.000 0.426 4308 E N 1.052 121.206 120.200 -0.076 0.000 2.130 4308 E HA -0.076 4.273 4.350 -0.001 0.000 0.196 4308 E C 2.289 178.797 176.600 -0.153 0.000 0.998 4308 E CA 1.077 57.414 56.400 -0.105 0.000 0.806 4308 E CB -0.765 28.875 29.700 -0.101 0.000 0.738 4308 E HN 0.434 nan 8.360 nan 0.000 0.459 4309 V N 0.436 120.212 119.914 -0.230 0.000 2.323 4309 V HA -0.221 3.899 4.120 -0.001 0.000 0.244 4309 V C 2.285 178.140 176.094 -0.399 0.000 1.041 4309 V CA 1.840 63.924 62.300 -0.360 0.000 1.025 4309 V CB -0.435 31.055 31.823 -0.555 0.000 0.656 4309 V HN 0.212 nan 8.190 nan 0.000 0.451 4310 E N 0.619 120.578 120.200 -0.402 0.000 2.097 4310 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 4310 E C 2.033 178.599 176.600 -0.057 0.000 1.000 4310 E CA 1.714 58.080 56.400 -0.056 0.000 0.804 4310 E CB -0.398 29.383 29.700 0.135 0.000 0.740 4310 E HN 0.557 nan 8.360 nan 0.000 0.454 4311 L N -0.149 121.031 121.223 -0.072 0.000 2.056 4311 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 4311 L C 2.542 179.364 176.870 -0.080 0.000 1.078 4311 L CA 1.270 56.076 54.840 -0.056 0.000 0.749 4311 L CB -0.390 41.652 42.059 -0.027 0.000 0.901 4311 L HN 0.110 nan 8.230 nan 0.000 0.433 4312 S N -0.561 115.079 115.700 -0.099 0.000 2.382 4312 S HA -0.147 4.322 4.470 -0.001 0.000 0.228 4312 S C 2.015 176.560 174.600 -0.091 0.000 1.027 4312 S CA 1.224 59.370 58.200 -0.091 0.000 0.991 4312 S CB -0.109 63.028 63.200 -0.104 0.000 0.823 4312 S HN 0.270 nan 8.310 nan 0.000 0.469 4313 M N 1.381 120.922 119.600 -0.098 0.000 2.064 4313 M HA -0.048 4.431 4.480 -0.001 0.000 0.260 4313 M C 2.042 178.258 176.300 -0.140 0.000 1.073 4313 M CA 1.606 56.860 55.300 -0.077 0.000 1.124 4313 M CB -1.104 31.485 32.600 -0.018 0.000 1.326 4313 M HN 0.225 nan 8.290 nan 0.000 0.410 4314 K N 0.252 120.522 120.400 -0.217 0.000 2.103 4314 K HA 0.002 4.322 4.320 -0.001 0.000 0.204 4314 K C 2.061 178.148 176.600 -0.854 0.000 1.052 4314 K CA 0.872 56.867 56.287 -0.487 0.000 0.945 4314 K CB -0.177 32.050 32.500 -0.455 0.000 0.722 4314 K HN 0.261 nan 8.250 nan 0.000 0.443 4315 L N 0.535 121.466 121.223 -0.488 0.000 2.201 4315 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 4315 L C 2.341 179.153 176.870 -0.096 0.000 1.105 4315 L CA 0.964 55.647 54.840 -0.262 0.000 0.775 4315 L CB -0.276 41.778 42.059 -0.010 0.000 0.913 4315 L HN 0.129 nan 8.230 nan 0.000 0.440 4316 R N 0.043 120.484 120.500 -0.098 0.000 2.115 4316 R HA -0.149 4.191 4.340 -0.001 0.000 0.230 4316 R C 2.082 178.379 176.300 -0.005 0.000 1.111 4316 R CA 1.222 57.306 56.100 -0.027 0.000 0.976 4316 R CB -0.126 30.157 30.300 -0.028 0.000 0.870 4316 R HN 0.463 nan 8.270 nan 0.000 0.445 4317 E N -0.523 119.646 120.200 -0.051 0.000 2.107 4317 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 4317 E C 1.574 178.295 176.600 0.202 0.000 0.982 4317 E CA 0.809 57.235 56.400 0.044 0.000 0.809 4317 E CB 0.015 29.729 29.700 0.023 0.000 0.756 4317 E HN 0.320 nan 8.360 nan 0.000 0.459 4318 Y N 0.653 120.969 120.300 0.026 0.000 2.224 4318 Y HA -0.087 4.463 4.550 -0.001 0.000 0.289 4318 Y C 2.399 178.311 175.900 0.019 0.000 1.146 4318 Y CA 0.586 58.698 58.100 0.020 0.000 1.182 4318 Y CB -1.158 37.314 38.460 0.020 0.000 0.983 4318 Y HN 0.033 nan 8.280 nan 0.000 0.524 4319 A N 0.269 123.200 122.820 0.186 0.000 1.940 4319 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 4319 A C 2.175 179.810 177.584 0.085 0.000 1.176 4319 A CA 1.673 53.779 52.037 0.114 0.000 0.631 4319 A CB -0.395 18.660 19.000 0.092 0.000 0.814 4319 A HN 0.318 nan 8.150 nan 0.000 0.446 4320 E N -0.547 119.704 120.200 0.084 0.000 2.106 4320 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 4320 E C 2.147 178.780 176.600 0.055 0.000 0.984 4320 E CA 1.138 57.575 56.400 0.062 0.000 0.806 4320 E CB -0.610 29.125 29.700 0.058 0.000 0.750 4320 E HN 0.595 nan 8.360 nan 0.000 0.458 4321 G N 0.918 109.759 108.800 0.069 0.000 2.430 4321 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.216 4321 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.216 4321 G C 1.742 176.658 174.900 0.027 0.000 1.146 4321 G CA 0.161 45.287 45.100 0.043 0.000 0.793 4321 G HN 0.142 nan 8.290 nan 0.000 0.537 4322 I N -0.104 120.488 120.570 0.037 0.000 2.163 4322 I HA -0.025 4.145 4.170 -0.001 0.000 0.240 4322 I C 1.762 177.891 176.117 0.019 0.000 1.081 4322 I CA 0.831 62.145 61.300 0.023 0.000 1.353 4322 I CB -0.305 37.715 38.000 0.034 0.000 1.054 4322 I HN 0.308 nan 8.210 nan 0.000 0.407 4323 S N -1.137 114.580 115.700 0.028 0.000 3.513 4323 S HA -0.119 4.351 4.470 -0.001 0.000 0.636 4323 S C 0.448 175.058 174.600 0.017 0.000 2.452 4323 S CA 0.756 58.969 58.200 0.022 0.000 2.644 4323 S CB -1.418 61.791 63.200 0.016 0.000 0.331 4323 S HN 1.458 nan 8.310 nan 0.000 1.787 4324 G N 0.664 109.471 108.800 0.013 0.000 2.601 4324 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.261 4324 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.261 4324 G C 0.328 175.235 174.900 0.011 0.000 1.289 4324 G CA 0.966 46.071 45.100 0.008 0.000 0.920 4324 G HN 1.090 nan 8.290 nan 0.000 0.571 4325 R N 0.213 120.717 120.500 0.007 0.000 2.115 4325 R HA 0.026 4.365 4.340 -0.001 0.000 0.226 4325 R C 2.534 178.841 176.300 0.011 0.000 1.100 4325 R CA 1.371 57.477 56.100 0.010 0.000 0.980 4325 R CB -0.235 30.070 30.300 0.007 0.000 0.875 4325 R HN 0.716 nan 8.270 nan 0.000 0.445 4326 E N 0.952 121.156 120.200 0.007 0.000 2.171 4326 E HA -0.263 4.087 4.350 -0.001 0.000 0.197 4326 E C 2.059 178.677 176.600 0.030 0.000 0.997 4326 E CA 1.077 57.482 56.400 0.008 0.000 0.810 4326 E CB 0.100 29.801 29.700 0.001 0.000 0.738 4326 E HN 0.205 nan 8.360 nan 0.000 0.467 4327 Q N 0.597 120.417 119.800 0.035 0.000 2.226 4327 Q HA -0.165 4.175 4.340 -0.001 0.000 0.204 4327 Q C 2.146 178.184 176.000 0.063 0.000 0.975 4327 Q CA 0.927 56.761 55.803 0.051 0.000 0.866 4327 Q CB -0.068 28.695 28.738 0.043 0.000 0.915 4327 Q HN 0.430 nan 8.270 nan 0.000 0.440 4328 L N 0.051 121.306 121.223 0.053 0.000 2.027 4328 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 4328 L C 2.607 179.535 176.870 0.096 0.000 1.074 4328 L CA 1.269 56.145 54.840 0.060 0.000 0.745 4328 L CB -0.658 41.424 42.059 0.039 0.000 0.898 4328 L HN 0.167 nan 8.230 nan 0.000 0.433 4329 A N -0.550 122.325 122.820 0.092 0.000 1.929 4329 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 4329 A C 2.312 180.098 177.584 0.336 0.000 1.176 4329 A CA 1.285 53.422 52.037 0.166 0.000 0.628 4329 A CB -0.681 18.302 19.000 -0.029 0.000 0.816 4329 A HN 0.178 nan 8.150 nan 0.000 0.444 4330 V N 0.137 120.177 119.914 0.209 0.000 2.343 4330 V HA -0.229 3.890 4.120 -0.001 0.000 0.247 4330 V C 2.673 178.897 176.094 0.217 0.000 1.051 4330 V CA 2.329 64.749 62.300 0.200 0.000 1.036 4330 V CB -0.790 31.101 31.823 0.112 0.000 0.654 4330 V HN 0.623 nan 8.190 nan 0.000 0.451 4331 R N 1.127 121.723 120.500 0.160 0.000 2.081 4331 R HA -0.064 4.275 4.340 -0.001 0.000 0.235 4331 R C 2.158 178.532 176.300 0.123 0.000 1.131 4331 R CA 1.922 58.093 56.100 0.118 0.000 0.960 4331 R CB -0.991 29.357 30.300 0.081 0.000 0.856 4331 R HN 0.431 nan 8.270 nan 0.000 0.436 4332 A N -0.455 122.464 122.820 0.165 0.000 1.933 4332 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 4332 A C 2.157 179.808 177.584 0.111 0.000 1.175 4332 A CA 1.330 53.458 52.037 0.151 0.000 0.628 4332 A CB -0.839 18.291 19.000 0.218 0.000 0.814 4332 A HN 0.486 nan 8.150 nan 0.000 0.444 4333 F N 0.983 120.944 119.950 0.018 0.000 2.075 4333 F HA -0.103 4.424 4.527 -0.001 0.000 0.297 4333 F C 2.536 178.258 175.800 -0.130 0.000 1.113 4333 F CA 1.516 59.399 58.000 -0.195 0.000 1.218 4333 F CB -0.397 38.518 39.000 -0.142 0.000 0.984 4333 F HN 0.245 nan 8.300 nan 0.000 0.472 4334 A N -0.169 122.723 122.820 0.120 0.000 1.902 4334 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 4334 A C 1.889 179.420 177.584 -0.089 0.000 1.181 4334 A CA 1.965 54.011 52.037 0.014 0.000 0.623 4334 A CB -0.978 18.064 19.000 0.069 0.000 0.818 4334 A HN 0.457 nan 8.150 nan 0.000 0.443 4335 D N 0.021 120.387 120.400 -0.058 0.000 2.219 4335 D HA 0.024 4.664 4.640 -0.001 0.000 0.205 4335 D C 2.116 178.349 176.300 -0.113 0.000 0.970 4335 D CA 1.191 55.151 54.000 -0.067 0.000 0.851 4335 D CB -0.351 40.433 40.800 -0.027 0.000 0.943 4335 D HN 0.426 nan 8.370 nan 0.000 0.488 4336 A N 0.621 123.338 122.820 -0.172 0.000 2.024 4336 A HA -0.130 4.190 4.320 -0.001 0.000 0.220 4336 A C 2.245 179.696 177.584 -0.220 0.000 1.164 4336 A CA 0.768 52.676 52.037 -0.215 0.000 0.643 4336 A CB -0.715 18.085 19.000 -0.333 0.000 0.806 4336 A HN 0.245 nan 8.150 nan 0.000 0.451 4337 L N -0.360 120.718 121.223 -0.243 0.000 2.265 4337 L HA -0.141 4.199 4.340 -0.001 0.000 0.215 4337 L C 2.016 178.801 176.870 -0.142 0.000 1.117 4337 L CA 0.773 55.491 54.840 -0.202 0.000 0.782 4337 L CB -0.453 41.489 42.059 -0.195 0.000 0.914 4337 L HN 0.326 nan 8.230 nan 0.000 0.441 4338 E N -0.322 119.804 120.200 -0.123 0.000 2.409 4338 E HA -0.141 4.208 4.350 -0.001 0.000 0.198 4338 E C 2.182 178.731 176.600 -0.084 0.000 1.024 4338 E CA 0.607 56.950 56.400 -0.095 0.000 0.861 4338 E CB -0.192 29.460 29.700 -0.080 0.000 0.788 4338 E HN 0.306 nan 8.360 nan 0.000 0.521 4339 V N 0.866 120.725 119.914 -0.092 0.000 2.759 4339 V HA -0.187 3.932 4.120 -0.001 0.000 0.256 4339 V C 1.781 177.831 176.094 -0.073 0.000 1.080 4339 V CA 0.911 63.163 62.300 -0.079 0.000 1.101 4339 V CB -0.165 31.608 31.823 -0.084 0.000 0.698 4339 V HN 0.128 nan 8.190 nan 0.000 0.477 4340 I N 0.491 121.013 120.570 -0.080 0.000 2.296 4340 I HA 0.018 4.187 4.170 -0.001 0.000 0.242 4340 I C 0.129 176.208 176.117 -0.063 0.000 1.087 4340 I CA 1.183 62.441 61.300 -0.071 0.000 1.393 4340 I CB -2.735 35.221 38.000 -0.074 0.000 1.093 4340 I HN 0.307 nan 8.210 nan 0.000 0.421 4341 P HA -0.161 nan 4.420 nan 0.000 0.216 4341 P C 1.826 179.094 177.300 -0.053 0.000 1.150 4341 P CA 1.424 64.489 63.100 -0.058 0.000 0.843 4341 P CB -0.094 31.567 31.700 -0.065 0.000 0.787 4342 R N -0.625 119.842 120.500 -0.055 0.000 2.052 4342 R HA -0.013 4.326 4.340 -0.001 0.000 0.226 4342 R C 1.932 178.203 176.300 -0.048 0.000 1.145 4342 R CA 1.994 58.065 56.100 -0.049 0.000 0.952 4342 R CB -1.291 28.980 30.300 -0.049 0.000 0.847 4342 R HN 0.057 nan 8.270 nan 0.000 0.431 4343 T N 2.609 117.133 114.554 -0.051 0.000 2.833 4343 T HA -0.137 4.212 4.350 -0.001 0.000 0.269 4343 T C 1.724 176.392 174.700 -0.054 0.000 1.054 4343 T CA 1.139 63.209 62.100 -0.050 0.000 1.135 4343 T CB -0.219 68.618 68.868 -0.051 0.000 0.869 4343 T HN 0.113 nan 8.240 nan 0.000 0.466 4344 L N 1.607 122.796 121.223 -0.057 0.000 1.994 4344 L HA 0.076 4.415 4.340 -0.001 0.000 0.208 4344 L C 2.617 179.447 176.870 -0.068 0.000 1.071 4344 L CA 2.045 56.846 54.840 -0.065 0.000 0.745 4344 L CB -1.065 40.958 42.059 -0.061 0.000 0.892 4344 L HN 0.206 nan 8.230 nan 0.000 0.431 4345 A N -1.178 121.608 122.820 -0.057 0.000 2.019 4345 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 4345 A C 2.210 179.764 177.584 -0.050 0.000 1.164 4345 A CA 1.648 53.653 52.037 -0.053 0.000 0.644 4345 A CB -0.632 18.343 19.000 -0.042 0.000 0.805 4345 A HN 0.574 nan 8.150 nan 0.000 0.449 4346 E N 0.582 120.753 120.200 -0.048 0.000 2.072 4346 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 4346 E C 1.705 178.277 176.600 -0.047 0.000 0.985 4346 E CA 1.449 57.823 56.400 -0.043 0.000 0.801 4346 E CB -0.162 29.513 29.700 -0.041 0.000 0.750 4346 E HN 0.548 nan 8.360 nan 0.000 0.452 4347 N N -0.054 118.613 118.700 -0.055 0.000 2.309 4347 N HA -0.090 4.649 4.740 -0.001 0.000 0.182 4347 N C 1.272 176.739 175.510 -0.071 0.000 1.018 4347 N CA 1.140 54.154 53.050 -0.061 0.000 0.876 4347 N CB -0.252 38.195 38.487 -0.067 0.000 0.972 4347 N HN 0.246 nan 8.380 nan 0.000 0.434 4348 A N -0.076 122.697 122.820 -0.079 0.000 2.119 4348 A HA 0.314 4.634 4.320 -0.001 0.000 0.216 4348 A C 1.482 179.030 177.584 -0.060 0.000 1.152 4348 A CA 1.034 53.020 52.037 -0.086 0.000 0.708 4348 A CB -0.397 18.546 19.000 -0.096 0.000 0.805 4348 A HN 0.309 nan 8.150 nan 0.000 0.460 4349 G N -1.278 107.493 108.800 -0.048 0.000 2.149 4349 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.235 4349 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.235 4349 G C -0.032 174.850 174.900 -0.030 0.000 1.018 4349 G CA 0.342 45.420 45.100 -0.036 0.000 0.728 4349 G HN 0.443 nan 8.290 nan 0.000 0.508 4350 L N -0.214 120.989 121.223 -0.033 0.000 2.387 4350 L HA 0.504 4.843 4.340 -0.001 0.000 0.266 4350 L C 0.540 177.396 176.870 -0.024 0.000 1.059 4350 L CA -1.115 53.709 54.840 -0.027 0.000 0.801 4350 L CB 0.777 42.819 42.059 -0.029 0.000 1.223 4350 L HN 0.099 nan 8.230 nan 0.000 0.456 4351 D N 0.796 121.185 120.400 -0.019 0.000 2.363 4351 D HA 0.086 4.725 4.640 -0.001 0.000 0.263 4351 D C 0.747 177.034 176.300 -0.021 0.000 1.258 4351 D CA 0.170 54.160 54.000 -0.018 0.000 0.907 4351 D CB 1.743 42.535 40.800 -0.014 0.000 1.107 4351 D HN 0.628 nan 8.370 nan 0.000 0.495 4352 A N 5.317 128.123 122.820 -0.023 0.000 1.940 4352 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 4352 A C 2.071 179.640 177.584 -0.024 0.000 1.176 4352 A CA 0.944 52.966 52.037 -0.026 0.000 0.631 4352 A CB -0.179 18.805 19.000 -0.027 0.000 0.814 4352 A HN 0.698 nan 8.150 nan 0.000 0.446 4353 I N -0.708 119.850 120.570 -0.020 0.000 2.296 4353 I HA -0.119 4.050 4.170 -0.001 0.000 0.242 4353 I C 2.437 178.545 176.117 -0.015 0.000 1.087 4353 I CA 1.585 62.874 61.300 -0.018 0.000 1.393 4353 I CB -1.525 36.466 38.000 -0.015 0.000 1.093 4353 I HN 0.563 nan 8.210 nan 0.000 0.421 4354 E N 1.255 121.448 120.200 -0.013 0.000 2.077 4354 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 4354 E C 2.327 178.921 176.600 -0.010 0.000 0.989 4354 E CA 1.161 57.555 56.400 -0.010 0.000 0.800 4354 E CB 0.177 29.872 29.700 -0.008 0.000 0.746 4354 E HN 0.208 nan 8.360 nan 0.000 0.452 4355 I N 0.876 121.438 120.570 -0.013 0.000 2.127 4355 I HA -0.273 3.896 4.170 -0.001 0.000 0.241 4355 I C 2.417 178.525 176.117 -0.014 0.000 1.075 4355 I CA 1.013 62.305 61.300 -0.013 0.000 1.334 4355 I CB -0.984 37.005 38.000 -0.019 0.000 1.040 4355 I HN 0.275 nan 8.210 nan 0.000 0.405 4356 L N 0.012 121.223 121.223 -0.020 0.000 2.131 4356 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 4356 L C 2.542 179.400 176.870 -0.019 0.000 1.092 4356 L CA 1.255 56.080 54.840 -0.025 0.000 0.759 4356 L CB -0.954 41.086 42.059 -0.031 0.000 0.903 4356 L HN 0.004 nan 8.230 nan 0.000 0.435 4357 V N -1.154 118.753 119.914 -0.013 0.000 2.323 4357 V HA -0.237 3.882 4.120 -0.001 0.000 0.244 4357 V C 2.487 178.582 176.094 0.001 0.000 1.041 4357 V CA 1.379 63.676 62.300 -0.006 0.000 1.025 4357 V CB -0.392 31.428 31.823 -0.005 0.000 0.656 4357 V HN 0.301 nan 8.190 nan 0.000 0.451 4358 K N -0.186 120.214 120.400 0.001 0.000 2.155 4358 K HA -0.030 4.290 4.320 -0.001 0.000 0.203 4358 K C 1.864 178.473 176.600 0.015 0.000 1.052 4358 K CA 0.851 57.143 56.287 0.007 0.000 0.948 4358 K CB -0.437 32.066 32.500 0.005 0.000 0.728 4358 K HN 0.313 nan 8.250 nan 0.000 0.448 4359 V N 0.507 120.428 119.914 0.012 0.000 2.346 4359 V HA -0.156 3.963 4.120 -0.001 0.000 0.244 4359 V C 2.064 178.184 176.094 0.043 0.000 1.037 4359 V CA 1.530 63.844 62.300 0.023 0.000 1.029 4359 V CB -0.296 31.528 31.823 0.002 0.000 0.663 4359 V HN 0.224 nan 8.190 nan 0.000 0.454 4360 R N 0.154 120.664 120.500 0.017 0.000 2.115 4360 R HA -0.055 4.284 4.340 -0.001 0.000 0.230 4360 R C 2.390 178.726 176.300 0.061 0.000 1.111 4360 R CA 1.324 57.438 56.100 0.024 0.000 0.976 4360 R CB -0.491 29.801 30.300 -0.013 0.000 0.870 4360 R HN 0.534 nan 8.270 nan 0.000 0.445 4361 A N 1.272 124.116 122.820 0.039 0.000 1.873 4361 A HA -0.064 4.256 4.320 -0.001 0.000 0.215 4361 A C 2.364 179.972 177.584 0.040 0.000 1.186 4361 A CA 1.550 53.608 52.037 0.034 0.000 0.616 4361 A CB -0.610 18.402 19.000 0.019 0.000 0.823 4361 A HN 0.365 nan 8.150 nan 0.000 0.442 4362 A N -1.070 121.777 122.820 0.045 0.000 1.933 4362 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 4362 A C 2.005 179.616 177.584 0.044 0.000 1.175 4362 A CA 2.071 54.130 52.037 0.037 0.000 0.628 4362 A CB -0.856 18.166 19.000 0.036 0.000 0.814 4362 A HN 0.780 nan 8.150 nan 0.000 0.444 4363 H N -0.209 118.857 119.070 -0.007 0.000 2.326 4363 H HA 0.055 4.610 4.556 -0.001 0.000 0.301 4363 H C 2.216 177.539 175.328 -0.008 0.000 1.081 4363 H CA 1.968 58.011 56.048 -0.008 0.000 1.334 4363 H CB -0.198 29.557 29.762 -0.012 0.000 1.385 4363 H HN 0.388 nan 8.280 nan 0.000 0.504 4364 A N -0.639 122.243 122.820 0.104 0.000 1.908 4364 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 4364 A C 2.568 180.141 177.584 -0.019 0.000 1.181 4364 A CA 2.059 54.128 52.037 0.053 0.000 0.627 4364 A CB -1.063 17.974 19.000 0.063 0.000 0.818 4364 A HN 0.514 nan 8.150 nan 0.000 0.445 4365 S N -0.640 115.048 115.700 -0.019 0.000 2.341 4365 S HA -0.081 4.388 4.470 -0.001 0.000 0.216 4365 S C 1.875 176.446 174.600 -0.048 0.000 1.034 4365 S CA 1.060 59.245 58.200 -0.025 0.000 0.964 4365 S CB -0.397 62.797 63.200 -0.011 0.000 0.882 4365 S HN 0.597 nan 8.310 nan 0.000 0.469 4366 N N 1.084 119.749 118.700 -0.058 0.000 2.354 4366 N HA 0.232 4.971 4.740 -0.001 0.000 0.179 4366 N C 1.063 176.508 175.510 -0.109 0.000 1.021 4366 N CA 1.017 54.028 53.050 -0.065 0.000 0.887 4366 N CB -0.126 38.334 38.487 -0.044 0.000 0.974 4366 N HN 0.622 nan 8.380 nan 0.000 0.437 4367 G N 0.673 109.349 108.800 -0.206 0.000 2.498 4367 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.651 4367 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.651 4367 G C 0.145 174.784 174.900 -0.433 0.000 1.284 4367 G CA 0.043 44.960 45.100 -0.304 0.000 0.950 4367 G HN 0.349 nan 8.290 nan 0.000 0.511 4368 N N -0.309 118.190 118.700 -0.335 0.000 2.446 4368 N HA 0.004 4.743 4.740 -0.001 0.000 0.179 4368 N C 1.592 177.098 175.510 -0.007 0.000 1.054 4368 N CA 1.609 54.599 53.050 -0.101 0.000 0.905 4368 N CB -0.076 38.455 38.487 0.073 0.000 0.973 4368 N HN 0.883 nan 8.380 nan 0.000 0.448 4369 K N -1.001 119.377 120.400 -0.037 0.000 2.374 4369 K HA 0.266 4.585 4.320 -0.001 0.000 0.196 4369 K C -0.321 176.271 176.600 -0.013 0.000 1.023 4369 K CA -0.016 56.264 56.287 -0.012 0.000 1.103 4369 K CB 0.079 32.570 32.500 -0.015 0.000 0.848 4369 K HN 0.118 nan 8.250 nan 0.000 0.528 4370 C N 1.521 120.805 119.300 -0.027 0.000 3.114 4370 C HA 0.688 5.148 4.460 -0.001 0.000 0.215 4370 C C 0.142 175.132 174.990 -0.001 0.000 1.759 4370 C CA -0.706 58.301 59.018 -0.017 0.000 1.455 4370 C CB -0.570 27.149 27.740 -0.035 0.000 2.528 4370 C HN 0.599 nan 8.230 nan 0.000 0.511 4371 A N 0.077 122.917 122.820 0.034 0.000 2.593 4371 A HA 1.004 5.324 4.320 -0.001 0.000 0.304 4371 A C -0.076 177.553 177.584 0.075 0.000 1.233 4371 A CA 0.222 52.306 52.037 0.079 0.000 0.661 4371 A CB 0.342 19.452 19.000 0.183 0.000 1.338 4371 A HN 1.915 nan 8.150 nan 0.000 0.495 4372 G N -2.105 106.741 108.800 0.077 0.000 2.699 4372 G HA2 0.414 4.373 3.960 -0.001 0.000 0.686 4372 G HA3 0.414 4.373 3.960 -0.001 0.000 0.686 4372 G C -0.982 173.940 174.900 0.038 0.000 1.301 4372 G CA -0.096 45.032 45.100 0.048 0.000 0.816 4372 G HN 2.063 nan 8.290 nan 0.000 0.595 4373 L N 0.538 121.776 121.223 0.026 0.000 2.289 4373 L HA 0.773 5.113 4.340 -0.001 0.000 0.285 4373 L C 0.181 177.075 176.870 0.039 0.000 1.049 4373 L CA -1.027 53.826 54.840 0.021 0.000 0.804 4373 L CB 1.602 43.660 42.059 -0.002 0.000 1.195 4373 L HN 0.721 nan 8.230 nan 0.000 0.428 4374 N N 2.996 121.728 118.700 0.054 0.000 2.527 4374 N HA 0.212 4.952 4.740 -0.001 0.000 0.236 4374 N C 0.765 176.314 175.510 0.064 0.000 0.999 4374 N CA -0.222 52.891 53.050 0.105 0.000 0.935 4374 N CB 1.056 39.617 38.487 0.124 0.000 1.132 4374 N HN 0.525 nan 8.380 nan 0.000 0.511 4375 V N 1.323 121.228 119.914 -0.015 0.000 2.970 4375 V HA 0.023 4.143 4.120 -0.001 0.000 0.260 4375 V C 1.344 177.339 176.094 -0.164 0.000 1.100 4375 V CA 1.121 63.340 62.300 -0.134 0.000 1.122 4375 V CB -1.154 30.518 31.823 -0.251 0.000 0.721 4375 V HN 0.398 nan 8.190 nan 0.000 0.483 4376 F N 2.703 122.650 119.950 -0.004 0.000 2.234 4376 F HA -0.020 4.507 4.527 -0.001 0.000 0.299 4376 F C 2.595 178.393 175.800 -0.003 0.000 1.087 4376 F CA 1.869 59.867 58.000 -0.003 0.000 1.340 4376 F CB -0.569 38.430 39.000 -0.002 0.000 1.031 4376 F HN 0.424 nan 8.300 nan 0.000 0.500 4377 T N -4.558 110.097 114.554 0.167 0.000 2.985 4377 T HA 0.415 4.764 4.350 -0.001 0.000 0.254 4377 T C 1.428 176.156 174.700 0.046 0.000 1.021 4377 T CA 0.370 62.523 62.100 0.089 0.000 0.957 4377 T CB 0.345 69.258 68.868 0.075 0.000 1.047 4377 T HN 0.343 nan 8.240 nan 0.000 0.511 4378 G N 1.170 109.990 108.800 0.032 0.000 2.291 4378 G HA2 0.289 4.248 3.960 -0.001 0.000 0.271 4378 G HA3 0.289 4.248 3.960 -0.001 0.000 0.271 4378 G C 0.025 174.931 174.900 0.010 0.000 1.099 4378 G CA -0.220 44.883 45.100 0.005 0.000 0.919 4378 G HN 1.402 nan 8.290 nan 0.000 0.496 4379 A N -1.346 121.485 122.820 0.019 0.000 2.604 4379 A HA 0.883 5.203 4.320 -0.001 0.000 0.295 4379 A C 0.028 177.625 177.584 0.023 0.000 1.067 4379 A CA 0.096 52.144 52.037 0.018 0.000 0.683 4379 A CB 1.674 20.686 19.000 0.021 0.000 1.281 4379 A HN 1.783 nan 8.150 nan 0.000 0.407 4380 V N 1.867 121.792 119.914 0.019 0.000 2.599 4380 V HA 0.428 4.547 4.120 -0.001 0.000 0.300 4380 V C -0.223 175.887 176.094 0.027 0.000 1.034 4380 V CA 0.862 63.176 62.300 0.023 0.000 1.115 4380 V CB 0.538 32.373 31.823 0.021 0.000 0.934 4380 V HN 0.872 nan 8.190 nan 0.000 0.485 4381 E N 3.679 123.899 120.200 0.033 0.000 2.458 4381 E HA 0.315 4.665 4.350 -0.001 0.000 0.278 4381 E C -1.424 175.195 176.600 0.031 0.000 1.004 4381 E CA -0.716 55.703 56.400 0.032 0.000 0.823 4381 E CB 1.473 31.197 29.700 0.039 0.000 1.396 4381 E HN 0.715 nan 8.360 nan 0.000 0.463 4382 D N 1.924 122.338 120.400 0.024 0.000 2.393 4382 D HA 0.098 4.738 4.640 -0.001 0.000 0.232 4382 D C 0.928 177.242 176.300 0.023 0.000 1.192 4382 D CA -0.153 53.859 54.000 0.020 0.000 0.882 4382 D CB 0.542 41.348 40.800 0.010 0.000 1.038 4382 D HN 0.214 nan 8.370 nan 0.000 0.499 4383 M N 2.190 121.809 119.600 0.031 0.000 2.159 4383 M HA -0.145 4.335 4.480 -0.001 0.000 0.263 4383 M C 2.347 178.660 176.300 0.023 0.000 1.063 4383 M CA 0.641 55.961 55.300 0.034 0.000 1.110 4383 M CB -1.182 31.444 32.600 0.042 0.000 1.374 4383 M HN 0.535 nan 8.290 nan 0.000 0.411 4384 C N 0.712 120.023 119.300 0.019 0.000 2.453 4384 C HA -0.164 4.295 4.460 -0.001 0.000 0.277 4384 C C 2.689 177.682 174.990 0.005 0.000 1.262 4384 C CA 1.359 60.385 59.018 0.012 0.000 1.718 4384 C CB -0.915 26.831 27.740 0.010 0.000 2.031 4384 C HN 0.638 nan 8.230 nan 0.000 0.480 4385 E N 0.156 120.359 120.200 0.004 0.000 2.118 4385 E HA -0.203 4.146 4.350 -0.001 0.000 0.195 4385 E C 1.391 177.988 176.600 -0.004 0.000 0.992 4385 E CA 1.346 57.746 56.400 -0.000 0.000 0.804 4385 E CB -0.208 29.492 29.700 0.000 0.000 0.741 4385 E HN 0.661 nan 8.360 nan 0.000 0.458 4386 N N -0.414 118.285 118.700 -0.002 0.000 2.461 4386 N HA -0.004 4.735 4.740 -0.001 0.000 0.188 4386 N C 0.768 176.266 175.510 -0.020 0.000 1.134 4386 N CA 0.935 53.977 53.050 -0.013 0.000 0.878 4386 N CB 0.908 39.390 38.487 -0.007 0.000 0.972 4386 N HN 0.343 nan 8.380 nan 0.000 0.456 4387 G N 0.460 109.254 108.800 -0.010 0.000 2.147 4387 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 4387 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 4387 G C -0.001 174.896 174.900 -0.004 0.000 1.005 4387 G CA 0.048 45.142 45.100 -0.010 0.000 0.713 4387 G HN 0.197 nan 8.290 nan 0.000 0.515 4388 V N 1.478 121.396 119.914 0.007 0.000 2.222 4388 V HA 0.503 4.623 4.120 -0.001 0.000 0.253 4388 V C 0.830 176.939 176.094 0.026 0.000 1.210 4388 V CA 0.158 62.473 62.300 0.024 0.000 1.079 4388 V CB 0.409 32.260 31.823 0.047 0.000 1.265 4388 V HN 1.047 nan 8.190 nan 0.000 0.494 4389 V N 1.928 121.854 119.914 0.020 0.000 3.130 4389 V HA 0.939 5.058 4.120 -0.001 0.000 0.310 4389 V C -0.760 175.345 176.094 0.018 0.000 1.158 4389 V CA -0.909 61.402 62.300 0.019 0.000 1.029 4389 V CB 2.437 34.268 31.823 0.014 0.000 1.057 4389 V HN 0.777 nan 8.190 nan 0.000 0.436 4390 E N 0.956 121.166 120.200 0.017 0.000 2.390 4390 E HA 0.658 5.008 4.350 -0.001 0.000 0.277 4390 E C -3.278 173.330 176.600 0.013 0.000 0.939 4390 E CA -2.370 54.039 56.400 0.015 0.000 0.769 4390 E CB 2.337 32.046 29.700 0.015 0.000 1.251 4390 E HN 0.453 nan 8.360 nan 0.000 0.450 4391 P HA -0.045 nan 4.420 nan 0.000 0.266 4391 P C 0.518 177.825 177.300 0.013 0.000 1.195 4391 P CA -0.341 62.766 63.100 0.012 0.000 0.768 4391 P CB 0.507 32.214 31.700 0.010 0.000 0.838 4392 L N 4.466 125.698 121.223 0.014 0.000 2.012 4392 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 4392 L C 2.418 179.297 176.870 0.016 0.000 1.073 4392 L CA 1.865 56.714 54.840 0.016 0.000 0.748 4392 L CB -0.835 41.234 42.059 0.017 0.000 0.891 4392 L HN 0.310 nan 8.230 nan 0.000 0.431 4393 R N -0.966 119.542 120.500 0.014 0.000 2.133 4393 R HA -0.187 4.153 4.340 -0.001 0.000 0.247 4393 R C 2.030 178.337 176.300 0.012 0.000 1.151 4393 R CA 2.135 58.243 56.100 0.013 0.000 0.971 4393 R CB -0.406 29.901 30.300 0.012 0.000 0.866 4393 R HN 0.395 nan 8.270 nan 0.000 0.447 4394 V N 1.044 120.964 119.914 0.011 0.000 2.295 4394 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 4394 V C 2.333 178.431 176.094 0.007 0.000 1.049 4394 V CA 2.085 64.389 62.300 0.008 0.000 1.024 4394 V CB -0.483 31.345 31.823 0.008 0.000 0.648 4394 V HN 0.283 nan 8.190 nan 0.000 0.447 4395 K N 0.790 121.195 120.400 0.009 0.000 2.103 4395 K HA -0.123 4.197 4.320 -0.001 0.000 0.204 4395 K C 2.224 178.832 176.600 0.014 0.000 1.052 4395 K CA 1.931 58.222 56.287 0.008 0.000 0.945 4395 K CB -0.669 31.838 32.500 0.011 0.000 0.722 4395 K HN 0.678 nan 8.250 nan 0.000 0.443 4396 T N -2.127 112.438 114.554 0.019 0.000 2.942 4396 T HA -0.072 4.277 4.350 -0.001 0.000 0.265 4396 T C 1.875 176.591 174.700 0.026 0.000 1.062 4396 T CA 0.817 62.934 62.100 0.027 0.000 1.139 4396 T CB -0.153 68.731 68.868 0.027 0.000 0.883 4396 T HN 0.104 nan 8.240 nan 0.000 0.468 4397 Q N 1.902 121.713 119.800 0.019 0.000 2.123 4397 Q HA 0.258 4.598 4.340 -0.001 0.000 0.199 4397 Q C 2.417 178.426 176.000 0.015 0.000 0.966 4397 Q CA 1.726 57.539 55.803 0.017 0.000 0.845 4397 Q CB -0.996 27.750 28.738 0.013 0.000 0.907 4397 Q HN 0.627 nan 8.270 nan 0.000 0.439 4398 A N 0.576 123.401 122.820 0.009 0.000 1.908 4398 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 4398 A C 1.946 179.532 177.584 0.003 0.000 1.181 4398 A CA 1.644 53.680 52.037 -0.001 0.000 0.627 4398 A CB -0.719 18.274 19.000 -0.012 0.000 0.818 4398 A HN 0.453 nan 8.150 nan 0.000 0.445 4399 I N -0.473 120.108 120.570 0.019 0.000 2.202 4399 I HA -0.206 3.963 4.170 -0.001 0.000 0.242 4399 I C 2.646 178.806 176.117 0.072 0.000 1.091 4399 I CA 1.936 63.267 61.300 0.051 0.000 1.368 4399 I CB -1.435 36.614 38.000 0.082 0.000 1.058 4399 I HN 0.470 nan 8.210 nan 0.000 0.410 4400 Q N 1.264 121.097 119.800 0.055 0.000 2.030 4400 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 4400 Q C 2.412 178.441 176.000 0.048 0.000 0.986 4400 Q CA 2.595 58.430 55.803 0.052 0.000 0.843 4400 Q CB -0.302 28.459 28.738 0.037 0.000 0.904 4400 Q HN 0.345 nan 8.270 nan 0.000 0.420 4401 S N 0.012 115.732 115.700 0.034 0.000 2.368 4401 S HA -0.097 4.373 4.470 -0.001 0.000 0.225 4401 S C 1.901 176.520 174.600 0.031 0.000 1.030 4401 S CA 0.972 59.189 58.200 0.028 0.000 0.999 4401 S CB -0.630 62.580 63.200 0.017 0.000 0.844 4401 S HN 0.596 nan 8.310 nan 0.000 0.459 4402 A N 1.567 124.403 122.820 0.025 0.000 1.877 4402 A HA 0.127 4.447 4.320 -0.001 0.000 0.216 4402 A C 2.353 179.968 177.584 0.053 0.000 1.186 4402 A CA 1.709 53.755 52.037 0.016 0.000 0.620 4402 A CB -1.108 17.877 19.000 -0.025 0.000 0.822 4402 A HN 0.508 nan 8.150 nan 0.000 0.443 4403 A N 0.738 123.616 122.820 0.097 0.000 1.898 4403 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 4403 A C 1.996 179.660 177.584 0.133 0.000 1.181 4403 A CA 1.740 53.877 52.037 0.168 0.000 0.620 4403 A CB -0.640 18.484 19.000 0.206 0.000 0.819 4403 A HN 0.786 nan 8.150 nan 0.000 0.442 4404 E N 0.287 120.541 120.200 0.091 0.000 2.208 4404 E HA -0.117 4.232 4.350 -0.001 0.000 0.193 4404 E C 1.820 178.459 176.600 0.065 0.000 0.988 4404 E CA 1.397 57.840 56.400 0.072 0.000 0.828 4404 E CB -0.345 29.386 29.700 0.052 0.000 0.763 4404 E HN 0.634 nan 8.360 nan 0.000 0.478 4405 S N 0.288 116.025 115.700 0.061 0.000 2.446 4405 S HA -0.038 4.432 4.470 -0.001 0.000 0.225 4405 S C 2.005 176.643 174.600 0.063 0.000 1.016 4405 S CA 0.949 59.179 58.200 0.050 0.000 0.943 4405 S CB -0.277 62.944 63.200 0.035 0.000 0.786 4405 S HN 0.205 nan 8.310 nan 0.000 0.508 4406 T N 2.292 116.899 114.554 0.089 0.000 2.737 4406 T HA -0.043 4.306 4.350 -0.001 0.000 0.265 4406 T C 1.737 176.519 174.700 0.136 0.000 1.038 4406 T CA 1.571 63.748 62.100 0.128 0.000 1.144 4406 T CB -0.384 68.601 68.868 0.196 0.000 0.866 4406 T HN 0.661 nan 8.240 nan 0.000 0.434 4407 E N 0.718 121.001 120.200 0.137 0.000 2.110 4407 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 4407 E C 2.231 178.869 176.600 0.063 0.000 0.988 4407 E CA 0.852 57.311 56.400 0.099 0.000 0.804 4407 E CB -0.211 29.545 29.700 0.092 0.000 0.745 4407 E HN 0.451 nan 8.360 nan 0.000 0.458 4408 M N 0.686 120.321 119.600 0.059 0.000 2.073 4408 M HA -0.235 4.245 4.480 -0.001 0.000 0.258 4408 M C 2.359 178.683 176.300 0.040 0.000 1.070 4408 M CA 1.600 56.926 55.300 0.044 0.000 1.103 4408 M CB -0.202 32.422 32.600 0.041 0.000 1.321 4408 M HN 0.338 nan 8.290 nan 0.000 0.405 4409 L N 0.527 121.777 121.223 0.045 0.000 2.012 4409 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 4409 L C 2.249 179.137 176.870 0.031 0.000 1.073 4409 L CA 1.452 56.315 54.840 0.038 0.000 0.748 4409 L CB -0.323 41.758 42.059 0.038 0.000 0.891 4409 L HN 0.419 nan 8.230 nan 0.000 0.431 4410 L N -0.685 120.559 121.223 0.034 0.000 2.131 4410 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 4410 L C 2.684 179.560 176.870 0.011 0.000 1.092 4410 L CA 1.130 55.979 54.840 0.015 0.000 0.759 4410 L CB -0.469 41.598 42.059 0.013 0.000 0.903 4410 L HN 0.246 nan 8.230 nan 0.000 0.435 4411 R N -0.202 120.311 120.500 0.022 0.000 2.189 4411 R HA 0.061 4.401 4.340 -0.001 0.000 0.218 4411 R C 0.435 176.746 176.300 0.019 0.000 1.074 4411 R CA 0.525 56.638 56.100 0.021 0.000 0.991 4411 R CB -0.071 30.244 30.300 0.025 0.000 0.883 4411 R HN 0.278 nan 8.270 nan 0.000 0.457 4412 I N 0.837 121.419 120.570 0.020 0.000 2.331 4412 I HA 0.040 4.209 4.170 -0.001 0.000 0.292 4412 I C 0.264 176.392 176.117 0.017 0.000 0.998 4412 I CA 0.024 61.337 61.300 0.021 0.000 1.267 4412 I CB 1.518 39.535 38.000 0.028 0.000 1.386 4412 I HN -0.117 nan 8.210 nan 0.000 0.476 4413 D N 3.379 123.789 120.400 0.016 0.000 2.539 4413 D HA 0.111 4.750 4.640 -0.001 0.000 0.232 4413 D C -0.798 175.513 176.300 0.019 0.000 1.256 4413 D CA 0.238 54.245 54.000 0.011 0.000 0.810 4413 D CB 0.513 41.315 40.800 0.002 0.000 1.090 4413 D HN 0.432 nan 8.370 nan 0.000 0.519 4414 D N 0.036 120.450 120.400 0.023 0.000 2.861 4414 D HA 0.199 4.838 4.640 -0.001 0.000 0.216 4414 D C -1.363 174.952 176.300 0.024 0.000 1.323 4414 D CA -0.403 53.611 54.000 0.024 0.000 0.917 4414 D CB 1.903 42.713 40.800 0.018 0.000 1.582 4414 D HN -0.263 nan 8.370 nan 0.000 0.576 4415 V N 5.177 125.108 119.914 0.028 0.000 2.347 4415 V HA 0.477 4.597 4.120 -0.001 0.000 0.280 4415 V C 0.410 176.510 176.094 0.010 0.000 1.021 4415 V CA -0.552 61.761 62.300 0.021 0.000 0.847 4415 V CB 1.277 33.116 31.823 0.028 0.000 0.990 4415 V HN 0.477 nan 8.190 nan 0.000 0.444 4416 I N 4.914 125.486 120.570 0.003 0.000 2.371 4416 I HA 0.646 4.815 4.170 -0.001 0.000 0.282 4416 I C 0.396 176.508 176.117 -0.009 0.000 1.031 4416 I CA -0.209 61.090 61.300 -0.001 0.000 1.180 4416 I CB 1.292 39.292 38.000 0.001 0.000 1.336 4416 I HN 0.657 nan 8.210 nan 0.000 0.467 4417 A N 4.867 127.678 122.820 -0.015 0.000 2.337 4417 A HA 0.890 5.210 4.320 -0.001 0.000 0.329 4417 A C 0.106 177.680 177.584 -0.017 0.000 1.146 4417 A CA -0.500 51.524 52.037 -0.023 0.000 0.800 4417 A CB 1.205 20.181 19.000 -0.039 0.000 1.220 4417 A HN 0.718 nan 8.150 nan 0.000 0.472 4418 A N 1.765 124.575 122.820 -0.016 0.000 2.313 4418 A HA 0.548 4.867 4.320 -0.001 0.000 0.261 4418 A C 0.413 177.989 177.584 -0.014 0.000 1.090 4418 A CA -0.270 51.760 52.037 -0.013 0.000 0.807 4418 A CB -0.176 18.818 19.000 -0.010 0.000 1.055 4418 A HN 0.893 nan 8.150 nan 0.000 0.492 4419 E N 0.000 120.193 120.200 -0.011 0.000 2.725 4419 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 4419 E CA 0.000 56.394 56.400 -0.011 0.000 0.976 4419 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 4419 E HN 0.000 nan 8.360 nan 0.000 0.440