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 3izl_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 0.000 176.090 176.094 -0.006 0.000 1.182 3929 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 3929 V CB 0.000 31.820 31.823 -0.006 0.000 1.184 3930 L N 2.400 123.618 121.223 -0.008 0.000 2.325 3930 L HA 0.580 4.920 4.340 0.000 0.000 0.279 3930 L C -2.173 174.692 176.870 -0.009 0.000 1.054 3930 L CA -1.552 53.283 54.840 -0.008 0.000 0.804 3930 L CB 0.749 42.802 42.059 -0.010 0.000 1.200 3930 L HN 0.140 nan 8.230 nan 0.000 0.436 3931 P HA 0.020 nan 4.420 nan 0.000 0.266 3931 P C -0.535 176.760 177.300 -0.009 0.000 1.195 3931 P CA -0.256 62.841 63.100 -0.006 0.000 0.768 3931 P CB 0.459 32.156 31.700 -0.005 0.000 0.838 3932 E N 2.540 122.735 120.200 -0.009 0.000 2.376 3932 E HA -0.040 4.310 4.350 0.000 0.000 0.266 3932 E C 0.135 176.730 176.600 -0.009 0.000 1.009 3932 E CA 0.092 56.486 56.400 -0.010 0.000 0.902 3932 E CB 0.033 29.727 29.700 -0.009 0.000 0.972 3932 E HN 0.375 nan 8.360 nan 0.000 0.439 3933 N N 1.903 120.597 118.700 -0.010 0.000 2.990 3933 N HA -0.189 4.552 4.740 0.000 0.000 0.163 3933 N C -0.150 175.357 175.510 -0.004 0.000 1.452 3933 N CA 0.737 53.783 53.050 -0.006 0.000 1.624 3933 N CB -1.227 37.259 38.487 -0.002 0.000 1.088 3933 N HN 0.590 nan 8.380 nan 0.000 0.695 3934 M N 2.755 122.350 119.600 -0.007 0.000 2.249 3934 M HA 0.063 4.543 4.480 0.000 0.000 0.340 3934 M C 0.236 176.527 176.300 -0.015 0.000 1.166 3934 M CA 0.482 55.779 55.300 -0.006 0.000 1.115 3934 M CB 0.438 33.033 32.600 -0.007 0.000 1.606 3934 M HN 0.108 nan 8.290 nan 0.000 0.448 3935 K N 4.700 125.098 120.400 -0.003 0.000 2.259 3935 K HA 0.685 5.005 4.320 0.000 0.000 0.249 3935 K C -1.237 175.352 176.600 -0.017 0.000 0.942 3935 K CA -1.053 55.220 56.287 -0.023 0.000 0.816 3935 K CB 2.248 34.772 32.500 0.040 0.000 1.155 3935 K HN 0.787 nan 8.250 nan 0.000 0.428 3936 R N 2.260 122.685 120.500 -0.125 0.000 2.548 3936 R HA 0.316 4.656 4.340 0.000 0.000 0.280 3936 R C -1.813 174.338 176.300 -0.249 0.000 1.061 3936 R CA -0.599 55.455 56.100 -0.077 0.000 0.915 3936 R CB 1.327 31.592 30.300 -0.058 0.000 1.210 3936 R HN 0.744 nan 8.270 nan 0.000 0.442 3937 Y N 4.171 124.471 120.300 -0.001 0.000 2.485 3937 Y HA 0.595 5.146 4.550 0.000 0.000 0.345 3937 Y C 0.245 176.149 175.900 0.006 0.000 0.998 3937 Y CA -0.860 57.245 58.100 0.008 0.000 1.059 3937 Y CB 2.306 40.779 38.460 0.022 0.000 1.234 3937 Y HN 0.426 nan 8.280 nan 0.000 0.461 3938 M N 0.892 120.580 119.600 0.147 0.000 2.520 3938 M HA 0.755 5.235 4.480 0.000 0.000 0.280 3938 M C 0.019 176.358 176.300 0.065 0.000 1.232 3938 M CA -0.216 55.132 55.300 0.079 0.000 0.892 3938 M CB 1.272 33.893 32.600 0.036 0.000 1.728 3938 M HN 0.874 nan 8.290 nan 0.000 0.475 3939 G N 2.941 111.765 108.800 0.040 0.000 2.622 3939 G HA2 -0.368 3.592 3.960 0.000 0.000 0.307 3939 G HA3 -0.368 3.592 3.960 0.000 0.000 0.307 3939 G C 0.614 175.531 174.900 0.029 0.000 1.226 3939 G CA 1.197 46.309 45.100 0.021 0.000 0.997 3939 G HN 1.170 nan 8.290 nan 0.000 0.551 3940 R N 0.335 120.849 120.500 0.024 0.000 2.127 3940 R HA -0.080 4.260 4.340 0.000 0.000 0.238 3940 R C 2.126 178.453 176.300 0.046 0.000 1.134 3940 R CA 2.219 58.334 56.100 0.024 0.000 0.975 3940 R CB -0.391 29.919 30.300 0.017 0.000 0.865 3940 R HN 0.613 nan 8.270 nan 0.000 0.447 3941 D N -0.148 120.300 120.400 0.080 0.000 2.194 3941 D HA -0.063 4.577 4.640 0.000 0.000 0.204 3941 D C 1.669 178.056 176.300 0.145 0.000 0.964 3941 D CA 1.201 55.285 54.000 0.139 0.000 0.846 3941 D CB -0.024 40.905 40.800 0.215 0.000 0.962 3941 D HN 0.360 nan 8.370 nan 0.000 0.490 3942 A N 1.084 123.988 122.820 0.141 0.000 1.898 3942 A HA -0.172 4.149 4.320 0.000 0.000 0.216 3942 A C 2.143 179.755 177.584 0.047 0.000 1.181 3942 A CA 1.123 53.225 52.037 0.108 0.000 0.620 3942 A CB -0.276 18.789 19.000 0.110 0.000 0.819 3942 A HN 0.062 nan 8.150 nan 0.000 0.442 3943 Q N -0.889 118.932 119.800 0.035 0.000 2.123 3943 Q HA -0.122 4.219 4.340 0.000 0.000 0.199 3943 Q C 2.243 178.239 176.000 -0.006 0.000 0.966 3943 Q CA 1.574 57.385 55.803 0.013 0.000 0.845 3943 Q CB -0.318 28.424 28.738 0.007 0.000 0.907 3943 Q HN 0.616 nan 8.270 nan 0.000 0.439 3944 R N 1.125 121.623 120.500 -0.004 0.000 2.066 3944 R HA -0.011 4.330 4.340 0.000 0.000 0.232 3944 R C 2.151 178.417 176.300 -0.058 0.000 1.131 3944 R CA 1.429 57.517 56.100 -0.020 0.000 0.955 3944 R CB -0.585 29.715 30.300 -0.001 0.000 0.851 3944 R HN 0.247 nan 8.270 nan 0.000 0.432 3945 M N 0.304 119.860 119.600 -0.073 0.000 2.080 3945 M HA -0.200 4.280 4.480 0.000 0.000 0.260 3945 M C 1.063 177.233 176.300 -0.215 0.000 1.068 3945 M CA 2.195 57.405 55.300 -0.150 0.000 1.109 3945 M CB -0.264 32.168 32.600 -0.280 0.000 1.342 3945 M HN 0.157 nan 8.290 nan 0.000 0.405 3946 N N 0.745 119.371 118.700 -0.123 0.000 2.120 3946 N HA -0.074 4.667 4.740 0.000 0.000 0.188 3946 N C 1.590 176.964 175.510 -0.227 0.000 1.024 3946 N CA 1.640 54.568 53.050 -0.203 0.000 0.852 3946 N CB -0.442 38.065 38.487 0.033 0.000 1.003 3946 N HN 0.442 nan 8.380 nan 0.000 0.424 3947 I N -0.074 120.423 120.570 -0.122 0.000 2.315 3947 I HA -0.184 3.986 4.170 0.000 0.000 0.248 3947 I C 1.986 178.034 176.117 -0.116 0.000 1.117 3947 I CA 0.438 61.684 61.300 -0.089 0.000 1.404 3947 I CB -0.103 37.871 38.000 -0.043 0.000 1.071 3947 I HN 0.111 nan 8.210 nan 0.000 0.419 3948 L N 1.291 122.431 121.223 -0.139 0.000 2.017 3948 L HA -0.150 4.190 4.340 0.000 0.000 0.208 3948 L C 2.583 179.352 176.870 -0.169 0.000 1.073 3948 L CA 2.166 56.928 54.840 -0.130 0.000 0.745 3948 L CB -0.794 41.195 42.059 -0.117 0.000 0.894 3948 L HN 0.179 nan 8.230 nan 0.000 0.432 3949 A N -0.508 122.134 122.820 -0.297 0.000 1.883 3949 A HA -0.100 4.221 4.320 0.000 0.000 0.217 3949 A C 2.339 179.809 177.584 -0.192 0.000 1.186 3949 A CA 1.679 53.523 52.037 -0.322 0.000 0.624 3949 A CB -1.627 16.923 19.000 -0.750 0.000 0.822 3949 A HN 0.541 nan 8.150 nan 0.000 0.444 3950 G N -0.717 107.976 108.800 -0.178 0.000 2.408 3950 G HA2 -0.218 3.743 3.960 0.000 0.000 0.217 3950 G HA3 -0.218 3.743 3.960 0.000 0.000 0.217 3950 G C 1.683 176.540 174.900 -0.072 0.000 1.150 3950 G CA 1.200 46.242 45.100 -0.096 0.000 0.776 3950 G HN 0.525 nan 8.290 nan 0.000 0.542 3951 R N 0.689 121.143 120.500 -0.077 0.000 2.081 3951 R HA 0.077 4.417 4.340 0.000 0.000 0.235 3951 R C 2.438 178.706 176.300 -0.053 0.000 1.131 3951 R CA 1.147 57.212 56.100 -0.058 0.000 0.960 3951 R CB -0.707 29.560 30.300 -0.055 0.000 0.856 3951 R HN 0.423 nan 8.270 nan 0.000 0.436 3952 I N 0.228 120.761 120.570 -0.062 0.000 2.208 3952 I HA -0.275 3.895 4.170 0.000 0.000 0.245 3952 I C 1.753 177.846 176.117 -0.040 0.000 1.097 3952 I CA 0.878 62.148 61.300 -0.049 0.000 1.363 3952 I CB -0.278 37.690 38.000 -0.052 0.000 1.051 3952 I HN 0.155 nan 8.210 nan 0.000 0.413 3953 I N 1.017 121.562 120.570 -0.043 0.000 2.226 3953 I HA -0.246 3.924 4.170 0.000 0.000 0.245 3953 I C 2.854 178.953 176.117 -0.030 0.000 1.100 3953 I CA 1.689 62.970 61.300 -0.032 0.000 1.374 3953 I CB -1.544 36.439 38.000 -0.029 0.000 1.057 3953 I HN 0.179 nan 8.210 nan 0.000 0.413 3954 A N 0.301 123.101 122.820 -0.034 0.000 1.933 3954 A HA -0.174 4.146 4.320 0.000 0.000 0.218 3954 A C 2.174 179.738 177.584 -0.033 0.000 1.175 3954 A CA 1.300 53.317 52.037 -0.034 0.000 0.628 3954 A CB -0.396 18.582 19.000 -0.037 0.000 0.814 3954 A HN 0.354 nan 8.150 nan 0.000 0.444 3955 E N -0.371 119.809 120.200 -0.033 0.000 2.106 3955 E HA -0.108 4.243 4.350 0.000 0.000 0.192 3955 E C 2.111 178.695 176.600 -0.027 0.000 0.984 3955 E CA 1.626 58.007 56.400 -0.030 0.000 0.806 3955 E CB -0.678 29.004 29.700 -0.030 0.000 0.750 3955 E HN 0.604 nan 8.360 nan 0.000 0.458 3956 T N 1.030 115.568 114.554 -0.026 0.000 2.777 3956 T HA -0.105 4.245 4.350 0.000 0.000 0.266 3956 T C 2.107 176.794 174.700 -0.022 0.000 1.040 3956 T CA 1.789 63.876 62.100 -0.022 0.000 1.141 3956 T CB -0.119 68.737 68.868 -0.019 0.000 0.868 3956 T HN 0.208 nan 8.240 nan 0.000 0.444 3957 V N 1.433 121.333 119.914 -0.023 0.000 2.992 3957 V HA 0.134 4.254 4.120 0.000 0.000 0.250 3957 V C 2.320 178.398 176.094 -0.026 0.000 1.090 3957 V CA 0.785 63.071 62.300 -0.022 0.000 1.101 3957 V CB -0.773 31.038 31.823 -0.020 0.000 0.743 3957 V HN 0.436 nan 8.190 nan 0.000 0.468 3958 R N 2.874 123.356 120.500 -0.030 0.000 2.249 3958 R HA -0.096 4.244 4.340 0.000 0.000 0.230 3958 R C 1.920 178.199 176.300 -0.035 0.000 1.121 3958 R CA 1.804 57.884 56.100 -0.034 0.000 0.997 3958 R CB -1.038 29.241 30.300 -0.037 0.000 0.867 3958 R HN 0.687 nan 8.270 nan 0.000 0.465 3959 S N -0.127 115.554 115.700 -0.032 0.000 2.603 3959 S HA -0.039 4.432 4.470 0.000 0.000 0.220 3959 S C 1.562 176.142 174.600 -0.033 0.000 0.967 3959 S CA 0.464 58.645 58.200 -0.033 0.000 0.920 3959 S CB 0.305 63.487 63.200 -0.029 0.000 0.773 3959 S HN 0.551 nan 8.310 nan 0.000 0.529 3960 T N -0.996 113.539 114.554 -0.031 0.000 3.022 3960 T HA 0.325 4.675 4.350 0.000 0.000 0.250 3960 T C 0.379 175.060 174.700 -0.033 0.000 1.060 3960 T CA -0.477 61.606 62.100 -0.029 0.000 1.013 3960 T CB -0.468 68.388 68.868 -0.021 0.000 0.982 3960 T HN 0.267 nan 8.240 nan 0.000 0.508 3961 L N 3.011 124.212 121.223 -0.037 0.000 2.534 3961 L HA 0.501 4.841 4.340 0.000 0.000 0.271 3961 L C 0.726 177.565 176.870 -0.051 0.000 1.178 3961 L CA 1.629 56.445 54.840 -0.039 0.000 0.907 3961 L CB -0.842 41.192 42.059 -0.042 0.000 1.164 3961 L HN 0.719 nan 8.230 nan 0.000 0.482 3962 G N 4.128 112.900 108.800 -0.047 0.000 2.663 3962 G HA2 -0.155 3.805 3.960 0.000 0.000 0.686 3962 G HA3 -0.155 3.805 3.960 0.000 0.000 0.686 3962 G C -2.003 172.850 174.900 -0.078 0.000 1.288 3962 G CA -0.463 44.597 45.100 -0.065 0.000 0.836 3962 G HN 0.484 nan 8.290 nan 0.000 0.584 3963 P HA -0.009 nan 4.420 nan 0.000 0.218 3963 P C 1.420 178.617 177.300 -0.172 0.000 1.148 3963 P CA 1.461 64.477 63.100 -0.139 0.000 0.822 3963 P CB 0.056 31.550 31.700 -0.342 0.000 0.784 3964 K N -0.685 119.587 120.400 -0.212 0.000 2.446 3964 K HA 0.256 4.577 4.320 0.000 0.000 0.203 3964 K C 0.911 177.452 176.600 -0.098 0.000 1.027 3964 K CA -0.207 55.981 56.287 -0.165 0.000 1.166 3964 K CB -0.351 32.031 32.500 -0.198 0.000 0.869 3964 K HN 0.032 nan 8.250 nan 0.000 0.504 3965 G N 0.406 109.160 108.800 -0.078 0.000 2.569 3965 G HA2 0.220 4.180 3.960 0.000 0.000 0.249 3965 G HA3 0.220 4.180 3.960 0.000 0.000 0.249 3965 G C -0.053 174.823 174.900 -0.040 0.000 1.216 3965 G CA -0.455 44.613 45.100 -0.054 0.000 0.845 3965 G HN -0.014 nan 8.290 nan 0.000 0.568 3966 M N 0.202 119.782 119.600 -0.034 0.000 2.649 3966 M HA 0.381 4.861 4.480 0.000 0.000 0.294 3966 M C -0.634 175.653 176.300 -0.022 0.000 1.206 3966 M CA -0.721 54.563 55.300 -0.027 0.000 0.928 3966 M CB 1.448 34.032 32.600 -0.027 0.000 1.571 3966 M HN 0.328 nan 8.290 nan 0.000 0.501 3967 D N 0.634 121.022 120.400 -0.020 0.000 2.181 3967 D HA 0.492 5.132 4.640 0.000 0.000 0.248 3967 D C -0.654 175.635 176.300 -0.019 0.000 1.020 3967 D CA -0.301 53.688 54.000 -0.018 0.000 0.891 3967 D CB 1.214 42.003 40.800 -0.017 0.000 1.187 3967 D HN 0.146 nan 8.370 nan 0.000 0.443 3968 K N 0.466 120.856 120.400 -0.017 0.000 2.166 3968 K HA 0.562 4.882 4.320 0.000 0.000 0.245 3968 K C -0.473 176.116 176.600 -0.019 0.000 0.967 3968 K CA -0.570 55.707 56.287 -0.017 0.000 0.863 3968 K CB 1.837 34.328 32.500 -0.015 0.000 1.107 3968 K HN 0.324 nan 8.250 nan 0.000 0.436 3969 M N 3.480 123.068 119.600 -0.019 0.000 2.190 3969 M HA 0.412 4.892 4.480 0.000 0.000 0.312 3969 M C -1.721 174.570 176.300 -0.014 0.000 0.990 3969 M CA -0.597 54.691 55.300 -0.020 0.000 0.927 3969 M CB 0.640 33.224 32.600 -0.026 0.000 1.571 3969 M HN 0.409 nan 8.290 nan 0.000 0.427 3970 L N 6.083 127.300 121.223 -0.010 0.000 2.298 3970 L HA 0.609 4.949 4.340 0.000 0.000 0.284 3970 L C -1.069 175.800 176.870 -0.002 0.000 1.013 3970 L CA -0.933 53.904 54.840 -0.005 0.000 0.824 3970 L CB 1.722 43.779 42.059 -0.002 0.000 1.221 3970 L HN 0.423 nan 8.230 nan 0.000 0.418 3971 V N 2.154 122.067 119.914 -0.002 0.000 2.384 3971 V HA 0.228 4.349 4.120 0.000 0.000 0.287 3971 V C -0.188 175.907 176.094 0.003 0.000 1.020 3971 V CA -0.817 61.483 62.300 0.000 0.000 0.850 3971 V CB 1.684 33.506 31.823 -0.002 0.000 0.987 3971 V HN 0.786 nan 8.190 nan 0.000 0.436 3972 D N 2.382 122.785 120.400 0.005 0.000 2.440 3972 D HA 0.101 4.741 4.640 0.000 0.000 0.269 3972 D C 0.564 176.867 176.300 0.005 0.000 1.249 3972 D CA -0.540 53.463 54.000 0.005 0.000 1.055 3972 D CB 0.611 41.415 40.800 0.007 0.000 1.104 3972 D HN 0.411 nan 8.370 nan 0.000 0.561 3973 D N -1.341 119.062 120.400 0.005 0.000 2.310 3973 D HA -0.015 4.626 4.640 0.000 0.000 0.212 3973 D C 1.388 177.692 176.300 0.005 0.000 0.965 3973 D CA 0.755 54.758 54.000 0.005 0.000 0.879 3973 D CB -0.059 40.744 40.800 0.005 0.000 0.921 3973 D HN 0.289 nan 8.370 nan 0.000 0.510 3974 L N -1.475 119.752 121.223 0.006 0.000 2.554 3974 L HA 0.291 4.632 4.340 0.000 0.000 0.225 3974 L C 1.631 178.505 176.870 0.008 0.000 1.104 3974 L CA 0.404 55.248 54.840 0.007 0.000 0.866 3974 L CB 0.265 42.329 42.059 0.008 0.000 1.047 3974 L HN 0.221 nan 8.230 nan 0.000 0.468 3975 G N -0.257 108.548 108.800 0.008 0.000 2.195 3975 G HA2 -0.250 3.710 3.960 0.000 0.000 0.224 3975 G HA3 -0.250 3.710 3.960 0.000 0.000 0.224 3975 G C 0.074 174.982 174.900 0.012 0.000 0.990 3975 G CA -0.033 45.072 45.100 0.008 0.000 0.639 3975 G HN 0.315 nan 8.290 nan 0.000 0.514 3976 D N 1.009 121.417 120.400 0.014 0.000 2.458 3976 D HA 0.377 5.018 4.640 0.000 0.000 0.243 3976 D C 0.480 176.792 176.300 0.019 0.000 1.146 3976 D CA 0.262 54.274 54.000 0.020 0.000 0.877 3976 D CB 1.189 42.001 40.800 0.019 0.000 1.176 3976 D HN 0.237 nan 8.370 nan 0.000 0.461 3977 V N 4.728 124.657 119.914 0.026 0.000 2.370 3977 V HA 0.290 4.410 4.120 0.000 0.000 0.283 3977 V C 0.112 176.220 176.094 0.024 0.000 1.023 3977 V CA -0.812 61.496 62.300 0.015 0.000 0.857 3977 V CB 1.649 33.472 31.823 -0.000 0.000 0.985 3977 V HN 0.340 nan 8.190 nan 0.000 0.443 3978 V N 6.011 125.933 119.914 0.012 0.000 2.378 3978 V HA 0.446 4.567 4.120 0.000 0.000 0.288 3978 V C -0.212 175.882 176.094 -0.000 0.000 1.016 3978 V CA -0.545 61.765 62.300 0.016 0.000 0.840 3978 V CB 1.880 33.712 31.823 0.016 0.000 0.994 3978 V HN 0.601 nan 8.190 nan 0.000 0.431 3979 V N 4.516 124.428 119.914 -0.003 0.000 2.384 3979 V HA 0.788 4.908 4.120 0.000 0.000 0.287 3979 V C 0.091 176.184 176.094 -0.002 0.000 1.020 3979 V CA 0.032 62.321 62.300 -0.019 0.000 0.850 3979 V CB 1.609 33.400 31.823 -0.054 0.000 0.987 3979 V HN 0.987 nan 8.190 nan 0.000 0.436 3980 T N 2.985 117.536 114.554 -0.004 0.000 2.718 3980 T HA 0.376 4.726 4.350 0.000 0.000 0.306 3980 T C -0.278 174.419 174.700 -0.004 0.000 1.485 3980 T CA -0.063 62.038 62.100 0.001 0.000 0.997 3980 T CB 1.703 70.574 68.868 0.006 0.000 1.504 3980 T HN 0.788 nan 8.240 nan 0.000 0.497 3981 N N 0.215 118.914 118.700 -0.003 0.000 2.143 3981 N HA 0.235 4.975 4.740 0.000 0.000 0.222 3981 N C -0.625 174.882 175.510 -0.005 0.000 1.264 3981 N CA -0.395 52.651 53.050 -0.006 0.000 0.897 3981 N CB 0.341 38.824 38.487 -0.007 0.000 1.092 3981 N HN 0.514 nan 8.380 nan 0.000 0.516 3982 D N -0.434 119.965 120.400 -0.001 0.000 2.348 3982 D HA 0.371 5.012 4.640 0.000 0.000 0.253 3982 D C 1.466 177.764 176.300 -0.003 0.000 1.161 3982 D CA -0.040 53.959 54.000 -0.001 0.000 0.876 3982 D CB 1.138 41.940 40.800 0.003 0.000 1.160 3982 D HN 0.234 nan 8.370 nan 0.000 0.459 3983 G N 2.359 111.156 108.800 -0.004 0.000 2.418 3983 G HA2 -0.211 3.750 3.960 0.000 0.000 0.217 3983 G HA3 -0.211 3.750 3.960 0.000 0.000 0.217 3983 G C 1.463 176.361 174.900 -0.003 0.000 1.158 3983 G CA 0.610 45.706 45.100 -0.006 0.000 0.771 3983 G HN 0.476 nan 8.290 nan 0.000 0.545 3984 V N 0.847 120.760 119.914 -0.001 0.000 2.307 3984 V HA -0.161 3.959 4.120 0.000 0.000 0.245 3984 V C 3.172 179.267 176.094 0.002 0.000 1.045 3984 V CA 2.354 64.655 62.300 0.001 0.000 1.024 3984 V CB -0.870 30.955 31.823 0.003 0.000 0.651 3984 V HN 0.385 nan 8.190 nan 0.000 0.449 3985 T N 0.428 114.984 114.554 0.003 0.000 2.684 3985 T HA -0.185 4.165 4.350 0.000 0.000 0.267 3985 T C 1.814 176.516 174.700 0.003 0.000 1.036 3985 T CA 1.986 64.089 62.100 0.004 0.000 1.148 3985 T CB -0.325 68.546 68.868 0.006 0.000 0.863 3985 T HN 0.330 nan 8.240 nan 0.000 0.436 3986 I N 0.344 120.914 120.570 0.001 0.000 2.226 3986 I HA -0.148 4.022 4.170 0.000 0.000 0.245 3986 I C 2.079 178.195 176.117 -0.001 0.000 1.100 3986 I CA 0.978 62.277 61.300 -0.001 0.000 1.374 3986 I CB -0.279 37.718 38.000 -0.005 0.000 1.057 3986 I HN 0.160 nan 8.210 nan 0.000 0.413 3987 L N 0.133 121.356 121.223 -0.000 0.000 2.156 3987 L HA -0.086 4.254 4.340 0.000 0.000 0.208 3987 L C 2.468 179.340 176.870 0.004 0.000 1.095 3987 L CA 1.469 56.310 54.840 0.001 0.000 0.770 3987 L CB -0.973 41.086 42.059 0.001 0.000 0.914 3987 L HN 0.157 nan 8.230 nan 0.000 0.439 3988 R N -0.123 120.379 120.500 0.004 0.000 2.073 3988 R HA -0.094 4.246 4.340 0.000 0.000 0.229 3988 R C 1.857 178.160 176.300 0.005 0.000 1.120 3988 R CA 1.149 57.252 56.100 0.005 0.000 0.967 3988 R CB 0.105 30.408 30.300 0.005 0.000 0.862 3988 R HN 0.312 nan 8.270 nan 0.000 0.436 3989 E N 0.265 120.468 120.200 0.005 0.000 2.112 3989 E HA -0.003 4.347 4.350 0.000 0.000 0.190 3989 E C 0.801 177.404 176.600 0.005 0.000 0.979 3989 E CA 0.457 56.860 56.400 0.005 0.000 0.814 3989 E CB -0.056 29.648 29.700 0.005 0.000 0.762 3989 E HN 0.324 nan 8.360 nan 0.000 0.460 3990 M N 0.486 120.088 119.600 0.004 0.000 2.243 3990 M HA 0.047 4.528 4.480 0.000 0.000 0.341 3990 M C 0.442 176.745 176.300 0.006 0.000 1.130 3990 M CA 0.110 55.412 55.300 0.003 0.000 1.162 3990 M CB 0.998 33.599 32.600 0.001 0.000 1.497 3990 M HN -0.235 nan 8.290 nan 0.000 0.456 3991 S N 3.196 118.899 115.700 0.006 0.000 2.488 3991 S HA 0.476 4.947 4.470 0.000 0.000 0.310 3991 S C -0.528 174.079 174.600 0.011 0.000 1.093 3991 S CA -0.965 57.240 58.200 0.009 0.000 1.129 3991 S CB -0.058 63.147 63.200 0.008 0.000 0.989 3991 S HN 0.509 nan 8.310 nan 0.000 0.479 3992 V N 3.036 122.959 119.914 0.015 0.000 3.036 3992 V HA 0.615 4.735 4.120 0.000 0.000 0.308 3992 V C 0.720 176.831 176.094 0.028 0.000 1.070 3992 V CA -0.163 62.151 62.300 0.023 0.000 1.056 3992 V CB 1.145 32.984 31.823 0.027 0.000 1.084 3992 V HN 0.840 nan 8.190 nan 0.000 0.471 3993 E N -0.495 119.729 120.200 0.040 0.000 2.228 3993 E HA 0.102 4.452 4.350 0.000 0.000 0.197 3993 E C 0.405 177.030 176.600 0.041 0.000 0.909 3993 E CA -0.092 56.328 56.400 0.034 0.000 0.911 3993 E CB 0.080 29.798 29.700 0.030 0.000 0.887 3993 E HN 0.824 nan 8.360 nan 0.000 0.481 3994 H N 1.910 120.966 119.070 -0.023 0.000 2.764 3994 H HA 0.031 4.587 4.556 0.000 0.000 0.341 3994 H C -1.875 173.439 175.328 -0.024 0.000 1.072 3994 H CA -1.514 54.514 56.048 -0.034 0.000 1.444 3994 H CB 1.391 31.120 29.762 -0.054 0.000 1.458 3994 H HN -0.121 nan 8.280 nan 0.000 0.572 3995 P HA -0.135 nan 4.420 nan 0.000 0.216 3995 P C 1.088 178.493 177.300 0.174 0.000 1.150 3995 P CA 2.040 65.162 63.100 0.038 0.000 0.837 3995 P CB 0.102 31.762 31.700 -0.067 0.000 0.786 3996 A N -0.023 123.059 122.820 0.437 0.000 1.902 3996 A HA -0.105 4.215 4.320 0.000 0.000 0.217 3996 A C 2.319 179.948 177.584 0.075 0.000 1.181 3996 A CA 2.050 54.200 52.037 0.189 0.000 0.623 3996 A CB -1.556 17.461 19.000 0.029 0.000 0.818 3996 A HN 0.198 nan 8.150 nan 0.000 0.443 3997 A N -0.266 122.599 122.820 0.075 0.000 1.930 3997 A HA -0.153 4.167 4.320 0.000 0.000 0.217 3997 A C 2.121 179.728 177.584 0.037 0.000 1.175 3997 A CA 1.947 54.001 52.037 0.028 0.000 0.627 3997 A CB -0.439 18.574 19.000 0.023 0.000 0.815 3997 A HN 0.555 nan 8.150 nan 0.000 0.443 3998 K N -0.835 119.598 120.400 0.056 0.000 2.097 3998 K HA -0.091 4.229 4.320 0.000 0.000 0.206 3998 K C 1.995 178.614 176.600 0.032 0.000 1.049 3998 K CA 1.614 57.923 56.287 0.037 0.000 0.933 3998 K CB -0.232 32.288 32.500 0.034 0.000 0.717 3998 K HN 0.520 nan 8.250 nan 0.000 0.442 3999 M N 0.132 119.755 119.600 0.039 0.000 2.200 3999 M HA -0.133 4.347 4.480 0.000 0.000 0.265 3999 M C 1.843 178.157 176.300 0.023 0.000 1.066 3999 M CA 0.932 56.250 55.300 0.031 0.000 1.127 3999 M CB -0.084 32.539 32.600 0.038 0.000 1.379 3999 M HN 0.095 nan 8.290 nan 0.000 0.420 4000 L N 0.314 121.548 121.223 0.019 0.000 2.131 4000 L HA -0.129 4.211 4.340 0.000 0.000 0.210 4000 L C 2.152 179.027 176.870 0.008 0.000 1.092 4000 L CA 1.669 56.515 54.840 0.010 0.000 0.759 4000 L CB -0.656 41.404 42.059 0.001 0.000 0.903 4000 L HN 0.260 nan 8.230 nan 0.000 0.435 4001 I N -0.904 119.673 120.570 0.010 0.000 2.226 4001 I HA -0.295 3.875 4.170 0.000 0.000 0.245 4001 I C 2.270 178.393 176.117 0.009 0.000 1.100 4001 I CA 1.256 62.562 61.300 0.009 0.000 1.374 4001 I CB -0.252 37.755 38.000 0.011 0.000 1.057 4001 I HN 0.316 nan 8.210 nan 0.000 0.413 4002 E N 0.161 120.368 120.200 0.012 0.000 2.106 4002 E HA -0.145 4.205 4.350 0.000 0.000 0.192 4002 E C 2.317 178.924 176.600 0.011 0.000 0.984 4002 E CA 1.007 57.414 56.400 0.012 0.000 0.806 4002 E CB 0.031 29.739 29.700 0.014 0.000 0.750 4002 E HN 0.279 nan 8.360 nan 0.000 0.458 4003 V N 1.356 121.277 119.914 0.012 0.000 2.358 4003 V HA -0.261 3.859 4.120 0.000 0.000 0.246 4003 V C 2.320 178.419 176.094 0.009 0.000 1.047 4003 V CA 1.835 64.142 62.300 0.012 0.000 1.035 4003 V CB -0.644 31.187 31.823 0.014 0.000 0.658 4003 V HN 0.319 nan 8.190 nan 0.000 0.452 4004 A N -0.323 122.501 122.820 0.007 0.000 1.933 4004 A HA -0.241 4.079 4.320 0.000 0.000 0.218 4004 A C 2.280 179.867 177.584 0.005 0.000 1.175 4004 A CA 1.945 53.984 52.037 0.004 0.000 0.628 4004 A CB -0.412 18.589 19.000 0.002 0.000 0.814 4004 A HN 0.555 nan 8.150 nan 0.000 0.444 4005 K N -0.960 119.444 120.400 0.006 0.000 2.097 4005 K HA -0.074 4.246 4.320 0.000 0.000 0.205 4005 K C 2.030 178.634 176.600 0.006 0.000 1.050 4005 K CA 1.664 57.955 56.287 0.006 0.000 0.938 4005 K CB -0.308 32.196 32.500 0.007 0.000 0.718 4005 K HN 0.457 nan 8.250 nan 0.000 0.442 4006 T N 0.946 115.505 114.554 0.008 0.000 2.821 4006 T HA -0.170 4.181 4.350 0.000 0.000 0.267 4006 T C 1.819 176.524 174.700 0.008 0.000 1.046 4006 T CA 1.282 63.387 62.100 0.008 0.000 1.139 4006 T CB -0.127 68.747 68.868 0.010 0.000 0.871 4006 T HN 0.168 nan 8.240 nan 0.000 0.454 4007 Q N 1.233 121.037 119.800 0.007 0.000 2.124 4007 Q HA -0.133 4.208 4.340 0.000 0.000 0.202 4007 Q C 2.112 178.115 176.000 0.006 0.000 0.977 4007 Q CA 1.709 57.516 55.803 0.007 0.000 0.850 4007 Q CB -0.272 28.469 28.738 0.005 0.000 0.901 4007 Q HN 0.463 nan 8.270 nan 0.000 0.429 4008 E N 0.118 120.321 120.200 0.005 0.000 2.072 4008 E HA -0.134 4.217 4.350 0.000 0.000 0.191 4008 E C 1.568 178.171 176.600 0.005 0.000 0.985 4008 E CA 1.524 57.927 56.400 0.005 0.000 0.801 4008 E CB -0.016 29.687 29.700 0.004 0.000 0.750 4008 E HN 0.362 nan 8.360 nan 0.000 0.452 4009 K N -0.072 120.331 120.400 0.005 0.000 2.097 4009 K HA -0.107 4.214 4.320 0.000 0.000 0.205 4009 K C 2.069 178.672 176.600 0.005 0.000 1.050 4009 K CA 1.345 57.635 56.287 0.005 0.000 0.938 4009 K CB 0.020 32.522 32.500 0.005 0.000 0.718 4009 K HN 0.107 nan 8.250 nan 0.000 0.442 4010 E N -0.003 120.200 120.200 0.006 0.000 2.045 4010 E HA -0.052 4.298 4.350 0.000 0.000 0.190 4010 E C 2.128 178.732 176.600 0.007 0.000 0.968 4010 E CA 1.027 57.430 56.400 0.007 0.000 0.813 4010 E CB 0.065 29.769 29.700 0.008 0.000 0.780 4010 E HN 0.031 nan 8.360 nan 0.000 0.455 4011 V N -1.082 118.836 119.914 0.007 0.000 3.048 4011 V HA 0.237 4.358 4.120 0.000 0.000 0.241 4011 V C 1.630 177.727 176.094 0.006 0.000 1.129 4011 V CA 1.030 63.334 62.300 0.007 0.000 1.128 4011 V CB 0.496 32.323 31.823 0.007 0.000 0.849 4011 V HN 0.473 nan 8.190 nan 0.000 0.475 4012 G N 0.175 108.978 108.800 0.006 0.000 4.165 4012 G HA2 -0.248 3.712 3.960 0.000 0.000 0.211 4012 G HA3 -0.248 3.712 3.960 0.000 0.000 0.211 4012 G C 0.222 175.125 174.900 0.005 0.000 1.469 4012 G CA 0.332 45.436 45.100 0.006 0.000 0.964 4012 G HN 0.438 nan 8.290 nan 0.000 0.613 4013 D N 1.099 121.503 120.400 0.006 0.000 2.506 4013 D HA 0.492 5.132 4.640 0.000 0.000 0.272 4013 D C 1.506 177.808 176.300 0.003 0.000 1.214 4013 D CA 1.183 55.186 54.000 0.005 0.000 1.067 4013 D CB 0.706 41.511 40.800 0.008 0.000 1.117 4013 D HN 1.631 nan 8.370 nan 0.000 0.578 4014 G N -0.524 108.277 108.800 0.001 0.000 2.143 4014 G HA2 -0.318 3.643 3.960 0.000 0.000 0.249 4014 G HA3 -0.318 3.643 3.960 0.000 0.000 0.249 4014 G C 1.034 175.930 174.900 -0.006 0.000 0.981 4014 G CA 1.488 46.586 45.100 -0.003 0.000 0.665 4014 G HN 0.603 nan 8.290 nan 0.000 0.528 4015 T N -2.431 112.120 114.554 -0.005 0.000 2.612 4015 T HA -0.086 4.264 4.350 0.000 0.000 0.259 4015 T C 2.204 176.897 174.700 -0.011 0.000 1.065 4015 T CA 2.493 64.590 62.100 -0.006 0.000 1.167 4015 T CB -0.907 67.959 68.868 -0.003 0.000 0.863 4015 T HN 0.292 nan 8.240 nan 0.000 0.407 4016 T N 1.921 116.467 114.554 -0.013 0.000 2.720 4016 T HA -0.124 4.226 4.350 0.000 0.000 0.268 4016 T C 2.233 176.918 174.700 -0.025 0.000 1.037 4016 T CA 1.940 64.028 62.100 -0.019 0.000 1.144 4016 T CB -1.108 67.748 68.868 -0.020 0.000 0.864 4016 T HN 0.556 nan 8.240 nan 0.000 0.444 4017 T N 2.022 116.561 114.554 -0.025 0.000 2.652 4017 T HA -0.098 4.253 4.350 0.000 0.000 0.267 4017 T C 2.398 177.076 174.700 -0.037 0.000 1.039 4017 T CA 1.352 63.433 62.100 -0.033 0.000 1.153 4017 T CB -0.632 68.219 68.868 -0.028 0.000 0.863 4017 T HN 0.462 nan 8.240 nan 0.000 0.428 4018 A N 0.771 123.575 122.820 -0.027 0.000 1.933 4018 A HA -0.033 4.287 4.320 0.000 0.000 0.218 4018 A C 2.587 180.155 177.584 -0.028 0.000 1.175 4018 A CA 1.286 53.307 52.037 -0.025 0.000 0.628 4018 A CB -0.931 18.062 19.000 -0.012 0.000 0.814 4018 A HN 0.367 nan 8.150 nan 0.000 0.444 4019 V N -0.533 119.366 119.914 -0.025 0.000 2.358 4019 V HA -0.202 3.919 4.120 0.000 0.000 0.246 4019 V C 2.549 178.621 176.094 -0.036 0.000 1.047 4019 V CA 1.882 64.167 62.300 -0.025 0.000 1.035 4019 V CB -0.646 31.164 31.823 -0.022 0.000 0.658 4019 V HN 0.370 nan 8.190 nan 0.000 0.452 4020 V N -0.340 119.548 119.914 -0.042 0.000 2.358 4020 V HA -0.199 3.921 4.120 0.000 0.000 0.246 4020 V C 2.420 178.473 176.094 -0.068 0.000 1.047 4020 V CA 1.781 64.050 62.300 -0.052 0.000 1.035 4020 V CB -0.293 31.499 31.823 -0.052 0.000 0.658 4020 V HN 0.402 nan 8.190 nan 0.000 0.452 4021 V N 0.363 120.230 119.914 -0.078 0.000 2.295 4021 V HA -0.255 3.865 4.120 0.000 0.000 0.246 4021 V C 2.704 178.734 176.094 -0.107 0.000 1.049 4021 V CA 2.064 64.295 62.300 -0.116 0.000 1.024 4021 V CB -1.112 30.637 31.823 -0.124 0.000 0.648 4021 V HN 0.561 nan 8.190 nan 0.000 0.447 4022 A N 0.408 123.190 122.820 -0.064 0.000 1.933 4022 A HA -0.070 4.250 4.320 0.000 0.000 0.218 4022 A C 2.397 179.965 177.584 -0.026 0.000 1.175 4022 A CA 1.869 53.886 52.037 -0.033 0.000 0.628 4022 A CB -1.127 17.866 19.000 -0.011 0.000 0.814 4022 A HN 0.531 nan 8.150 nan 0.000 0.444 4023 G N -0.470 108.308 108.800 -0.037 0.000 2.421 4023 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 4023 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 4023 G C 1.468 176.347 174.900 -0.034 0.000 1.171 4023 G CA 1.263 46.343 45.100 -0.034 0.000 0.775 4023 G HN 0.570 nan 8.290 nan 0.000 0.543 4024 E N -0.266 119.901 120.200 -0.055 0.000 2.150 4024 E HA -0.014 4.336 4.350 0.000 0.000 0.193 4024 E C 2.343 178.912 176.600 -0.052 0.000 0.985 4024 E CA 0.299 56.662 56.400 -0.062 0.000 0.814 4024 E CB -0.257 29.385 29.700 -0.096 0.000 0.752 4024 E HN 0.244 nan 8.360 nan 0.000 0.466 4025 L N 0.140 121.324 121.223 -0.066 0.000 2.046 4025 L HA -0.119 4.221 4.340 0.000 0.000 0.208 4025 L C 2.178 179.119 176.870 0.119 0.000 1.077 4025 L CA 1.531 56.353 54.840 -0.031 0.000 0.747 4025 L CB -0.648 41.376 42.059 -0.058 0.000 0.896 4025 L HN 0.279 nan 8.230 nan 0.000 0.432 4026 L N -1.628 119.641 121.223 0.077 0.000 2.156 4026 L HA -0.159 4.181 4.340 0.000 0.000 0.208 4026 L C 2.658 179.560 176.870 0.053 0.000 1.095 4026 L CA 0.604 55.491 54.840 0.078 0.000 0.770 4026 L CB -0.362 41.718 42.059 0.035 0.000 0.914 4026 L HN 0.198 nan 8.230 nan 0.000 0.439 4027 R N 0.838 121.355 120.500 0.028 0.000 2.073 4027 R HA -0.171 4.169 4.340 0.000 0.000 0.234 4027 R C 2.161 178.483 176.300 0.036 0.000 1.134 4027 R CA 1.572 57.682 56.100 0.017 0.000 0.952 4027 R CB -0.112 30.186 30.300 -0.004 0.000 0.850 4027 R HN -0.020 nan 8.270 nan 0.000 0.433 4028 K N -0.144 120.290 120.400 0.057 0.000 2.057 4028 K HA 0.082 4.403 4.320 0.000 0.000 0.206 4028 K C 1.865 178.540 176.600 0.125 0.000 1.050 4028 K CA 1.591 57.931 56.287 0.088 0.000 0.935 4028 K CB -0.440 32.122 32.500 0.104 0.000 0.715 4028 K HN 0.299 nan 8.250 nan 0.000 0.439 4029 A N 0.526 123.449 122.820 0.172 0.000 1.933 4029 A HA -0.203 4.118 4.320 0.000 0.000 0.218 4029 A C 2.091 179.700 177.584 0.042 0.000 1.175 4029 A CA 1.800 53.908 52.037 0.119 0.000 0.628 4029 A CB -0.477 18.614 19.000 0.152 0.000 0.814 4029 A HN 0.452 nan 8.150 nan 0.000 0.444 4030 E N -0.336 119.889 120.200 0.041 0.000 2.153 4030 E HA -0.198 4.152 4.350 0.000 0.000 0.194 4030 E C 1.648 178.255 176.600 0.013 0.000 0.988 4030 E CA 1.056 57.466 56.400 0.017 0.000 0.811 4030 E CB -0.016 29.692 29.700 0.013 0.000 0.746 4030 E HN 0.527 nan 8.360 nan 0.000 0.466 4031 E N 0.252 120.466 120.200 0.022 0.000 2.153 4031 E HA -0.160 4.190 4.350 0.000 0.000 0.194 4031 E C 1.987 178.595 176.600 0.014 0.000 0.988 4031 E CA 0.515 56.926 56.400 0.019 0.000 0.811 4031 E CB 0.023 29.739 29.700 0.026 0.000 0.746 4031 E HN 0.327 nan 8.360 nan 0.000 0.466 4032 L N -0.025 121.207 121.223 0.014 0.000 2.095 4032 L HA -0.076 4.264 4.340 0.000 0.000 0.204 4032 L C 2.292 179.156 176.870 -0.011 0.000 1.080 4032 L CA 0.752 55.593 54.840 0.003 0.000 0.759 4032 L CB -0.940 41.115 42.059 -0.006 0.000 0.914 4032 L HN 0.166 nan 8.230 nan 0.000 0.439 4033 L N -0.040 121.172 121.223 -0.018 0.000 2.093 4033 L HA -0.189 4.151 4.340 0.000 0.000 0.208 4033 L C 2.215 179.073 176.870 -0.019 0.000 1.085 4033 L CA 1.564 56.387 54.840 -0.029 0.000 0.755 4033 L CB -0.871 41.169 42.059 -0.031 0.000 0.904 4033 L HN 0.241 nan 8.230 nan 0.000 0.435 4034 D N -1.184 119.211 120.400 -0.008 0.000 2.178 4034 D HA -0.234 4.406 4.640 0.000 0.000 0.202 4034 D C 2.141 178.440 176.300 -0.001 0.000 0.974 4034 D CA 0.689 54.687 54.000 -0.003 0.000 0.841 4034 D CB 0.096 40.897 40.800 0.002 0.000 0.953 4034 D HN 0.342 nan 8.370 nan 0.000 0.478 4035 Q N -0.166 119.634 119.800 0.000 0.000 2.482 4035 Q HA -0.029 4.311 4.340 0.000 0.000 0.209 4035 Q C -0.294 175.707 176.000 0.002 0.000 0.961 4035 Q CA 0.410 56.215 55.803 0.003 0.000 0.945 4035 Q CB 0.071 28.813 28.738 0.007 0.000 1.012 4035 Q HN 0.209 nan 8.270 nan 0.000 0.515 4036 N N -0.532 118.166 118.700 -0.005 0.000 2.815 4036 N HA -0.137 4.603 4.740 0.000 0.000 0.248 4036 N C -1.434 174.077 175.510 0.001 0.000 1.110 4036 N CA 0.726 53.772 53.050 -0.007 0.000 0.699 4036 N CB -1.691 36.796 38.487 -0.000 0.000 1.040 4036 N HN 0.033 nan 8.380 nan 0.000 0.555 4037 V N 1.569 121.482 119.914 -0.002 0.000 2.432 4037 V HA 0.101 4.221 4.120 0.000 0.000 0.275 4037 V C 1.096 177.197 176.094 0.012 0.000 1.043 4037 V CA -0.654 61.655 62.300 0.016 0.000 0.925 4037 V CB 1.412 33.240 31.823 0.009 0.000 0.985 4037 V HN 0.288 nan 8.190 nan 0.000 0.466 4038 H N 7.984 127.040 119.070 -0.024 0.000 3.094 4038 H HA 0.017 4.573 4.556 0.001 0.000 0.320 4038 H C -1.698 173.605 175.328 -0.041 0.000 1.000 4038 H CA -1.097 54.935 56.048 -0.026 0.000 1.413 4038 H CB 1.528 31.277 29.762 -0.022 0.000 1.405 4038 H HN 0.396 nan 8.280 nan 0.000 0.586 4039 P HA -0.170 nan 4.420 nan 0.000 0.217 4039 P C 1.531 178.868 177.300 0.061 0.000 1.148 4039 P CA 1.711 64.765 63.100 -0.077 0.000 0.834 4039 P CB 0.089 31.701 31.700 -0.147 0.000 0.783 4040 T N -1.808 112.939 114.554 0.321 0.000 2.915 4040 T HA -0.064 4.287 4.350 0.000 0.000 0.269 4040 T C 1.585 176.308 174.700 0.038 0.000 1.071 4040 T CA 0.761 62.952 62.100 0.152 0.000 1.132 4040 T CB -0.729 68.191 68.868 0.086 0.000 0.878 4040 T HN -0.027 nan 8.240 nan 0.000 0.479 4041 I N 0.216 120.815 120.570 0.048 0.000 2.286 4041 I HA -0.092 4.079 4.170 0.000 0.000 0.245 4041 I C 2.413 178.481 176.117 -0.082 0.000 1.104 4041 I CA 0.731 62.024 61.300 -0.012 0.000 1.397 4041 I CB -0.234 37.772 38.000 0.009 0.000 1.072 4041 I HN 0.104 nan 8.210 nan 0.000 0.417 4042 V N 0.401 120.232 119.914 -0.138 0.000 2.343 4042 V HA -0.223 3.897 4.120 0.000 0.000 0.247 4042 V C 2.423 178.216 176.094 -0.501 0.000 1.051 4042 V CA 1.495 63.581 62.300 -0.357 0.000 1.036 4042 V CB -0.369 31.242 31.823 -0.352 0.000 0.654 4042 V HN 0.220 nan 8.190 nan 0.000 0.451 4043 V N -0.068 119.694 119.914 -0.254 0.000 2.270 4043 V HA -0.282 3.838 4.120 0.000 0.000 0.245 4043 V C 2.425 178.479 176.094 -0.066 0.000 1.043 4043 V CA 2.415 64.631 62.300 -0.139 0.000 1.014 4043 V CB -0.652 31.142 31.823 -0.048 0.000 0.645 4043 V HN 0.545 nan 8.190 nan 0.000 0.447 4044 K N 0.196 120.563 120.400 -0.055 0.000 2.057 4044 K HA -0.155 4.165 4.320 0.000 0.000 0.207 4044 K C 2.159 178.747 176.600 -0.020 0.000 1.049 4044 K CA 1.668 57.938 56.287 -0.029 0.000 0.931 4044 K CB -0.629 31.855 32.500 -0.027 0.000 0.714 4044 K HN 0.492 nan 8.250 nan 0.000 0.440 4045 G N -0.015 108.768 108.800 -0.029 0.000 2.440 4045 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 4045 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 4045 G C 1.140 176.103 174.900 0.105 0.000 1.154 4045 G CA 0.695 45.812 45.100 0.030 0.000 0.767 4045 G HN 0.270 nan 8.290 nan 0.000 0.552 4046 Y N 0.816 121.042 120.300 -0.124 0.000 2.314 4046 Y HA 0.018 4.569 4.550 0.000 0.000 0.293 4046 Y C 2.996 178.714 175.900 -0.303 0.000 1.129 4046 Y CA 0.593 58.535 58.100 -0.264 0.000 1.201 4046 Y CB -0.671 37.749 38.460 -0.066 0.000 0.999 4046 Y HN 0.335 nan 8.280 nan 0.000 0.541 4047 Q N -0.561 119.243 119.800 0.007 0.000 2.046 4047 Q HA -0.108 4.233 4.340 0.000 0.000 0.200 4047 Q C 2.563 178.514 176.000 -0.081 0.000 0.975 4047 Q CA 1.386 57.168 55.803 -0.034 0.000 0.836 4047 Q CB -0.242 28.489 28.738 -0.010 0.000 0.896 4047 Q HN 0.417 nan 8.270 nan 0.000 0.428 4048 A N 1.086 123.862 122.820 -0.074 0.000 1.873 4048 A HA -0.102 4.218 4.320 0.000 0.000 0.215 4048 A C 2.285 179.806 177.584 -0.106 0.000 1.186 4048 A CA 1.607 53.603 52.037 -0.068 0.000 0.616 4048 A CB -0.840 18.138 19.000 -0.036 0.000 0.823 4048 A HN 0.390 nan 8.150 nan 0.000 0.442 4049 A N -0.219 122.475 122.820 -0.210 0.000 1.898 4049 A HA 0.196 4.516 4.320 0.000 0.000 0.216 4049 A C 2.492 179.827 177.584 -0.414 0.000 1.181 4049 A CA 2.025 53.872 52.037 -0.317 0.000 0.620 4049 A CB -0.979 17.676 19.000 -0.575 0.000 0.819 4049 A HN 1.036 nan 8.150 nan 0.000 0.442 4050 A N -0.967 121.498 122.820 -0.591 0.000 1.933 4050 A HA -0.171 4.149 4.320 0.000 0.000 0.218 4050 A C 2.145 179.684 177.584 -0.074 0.000 1.175 4050 A CA 2.064 53.934 52.037 -0.278 0.000 0.628 4050 A CB -0.477 18.396 19.000 -0.212 0.000 0.814 4050 A HN 0.527 nan 8.150 nan 0.000 0.444 4051 Q N 0.021 119.776 119.800 -0.074 0.000 2.119 4051 Q HA -0.121 4.220 4.340 0.000 0.000 0.201 4051 Q C 1.839 177.847 176.000 0.012 0.000 0.972 4051 Q CA 1.800 57.590 55.803 -0.022 0.000 0.847 4051 Q CB -0.110 28.610 28.738 -0.029 0.000 0.903 4051 Q HN 0.486 nan 8.270 nan 0.000 0.433 4052 K N -0.409 120.008 120.400 0.029 0.000 2.167 4052 K HA 0.092 4.413 4.320 0.000 0.000 0.203 4052 K C 1.909 178.603 176.600 0.156 0.000 1.052 4052 K CA 0.935 57.292 56.287 0.117 0.000 0.956 4052 K CB -0.290 32.337 32.500 0.212 0.000 0.735 4052 K HN 0.278 nan 8.250 nan 0.000 0.451 4053 A N 1.589 124.480 122.820 0.119 0.000 1.898 4053 A HA -0.183 4.138 4.320 0.000 0.000 0.216 4053 A C 2.145 179.786 177.584 0.096 0.000 1.181 4053 A CA 1.265 53.380 52.037 0.131 0.000 0.620 4053 A CB -0.364 18.757 19.000 0.203 0.000 0.819 4053 A HN 0.335 nan 8.150 nan 0.000 0.442 4054 Q N -1.002 118.844 119.800 0.076 0.000 2.119 4054 Q HA -0.172 4.168 4.340 0.000 0.000 0.201 4054 Q C 2.079 178.112 176.000 0.054 0.000 0.972 4054 Q CA 1.374 57.211 55.803 0.057 0.000 0.847 4054 Q CB -0.104 28.659 28.738 0.043 0.000 0.903 4054 Q HN 0.855 nan 8.270 nan 0.000 0.433 4055 E N 0.859 121.096 120.200 0.062 0.000 2.072 4055 E HA -0.176 4.174 4.350 0.000 0.000 0.191 4055 E C 1.915 178.562 176.600 0.077 0.000 0.985 4055 E CA 0.612 57.049 56.400 0.062 0.000 0.801 4055 E CB 0.040 29.777 29.700 0.062 0.000 0.750 4055 E HN 0.304 nan 8.360 nan 0.000 0.452 4056 L N 0.334 121.618 121.223 0.101 0.000 2.083 4056 L HA -0.188 4.152 4.340 0.000 0.000 0.209 4056 L C 2.389 179.295 176.870 0.061 0.000 1.083 4056 L CA 0.313 55.207 54.840 0.090 0.000 0.752 4056 L CB -0.262 41.848 42.059 0.086 0.000 0.899 4056 L HN 0.242 nan 8.230 nan 0.000 0.433 4057 L N -0.118 121.138 121.223 0.056 0.000 2.083 4057 L HA -0.190 4.150 4.340 0.000 0.000 0.209 4057 L C 2.453 179.345 176.870 0.037 0.000 1.083 4057 L CA 1.703 56.569 54.840 0.043 0.000 0.752 4057 L CB -0.731 41.353 42.059 0.041 0.000 0.899 4057 L HN 0.159 nan 8.230 nan 0.000 0.433 4058 K N -1.498 118.925 120.400 0.038 0.000 2.148 4058 K HA -0.083 4.238 4.320 0.000 0.000 0.204 4058 K C 1.918 178.537 176.600 0.032 0.000 1.050 4058 K CA 1.464 57.770 56.287 0.032 0.000 0.942 4058 K CB -0.191 32.326 32.500 0.030 0.000 0.724 4058 K HN 0.307 nan 8.250 nan 0.000 0.446 4059 T N 1.979 116.557 114.554 0.039 0.000 2.777 4059 T HA -0.075 4.275 4.350 0.000 0.000 0.266 4059 T C 1.873 176.592 174.700 0.032 0.000 1.040 4059 T CA 1.266 63.389 62.100 0.039 0.000 1.141 4059 T CB -0.138 68.761 68.868 0.052 0.000 0.868 4059 T HN 0.383 nan 8.240 nan 0.000 0.444 4060 I N -0.303 120.287 120.570 0.034 0.000 3.419 4060 I HA 0.437 4.608 4.170 0.000 0.000 0.286 4060 I C 1.075 177.207 176.117 0.024 0.000 1.268 4060 I CA -0.525 60.792 61.300 0.029 0.000 1.414 4060 I CB -0.474 37.548 38.000 0.036 0.000 1.074 4060 I HN -0.052 nan 8.210 nan 0.000 0.457 4061 A N 1.551 124.385 122.820 0.024 0.000 2.546 4061 A HA 0.135 4.455 4.320 0.000 0.000 0.243 4061 A C 0.100 177.694 177.584 0.016 0.000 1.063 4061 A CA -0.022 52.027 52.037 0.020 0.000 0.757 4061 A CB -0.230 18.782 19.000 0.020 0.000 0.991 4061 A HN 0.638 nan 8.150 nan 0.000 0.503 4062 C N 3.415 122.724 119.300 0.014 0.000 2.273 4062 C HA 0.568 5.029 4.460 0.000 0.000 0.328 4062 C C 0.331 175.327 174.990 0.010 0.000 1.275 4062 C CA -0.616 58.409 59.018 0.011 0.000 1.704 4062 C CB -0.101 27.645 27.740 0.010 0.000 2.326 4062 C HN 0.943 nan 8.230 nan 0.000 0.517 4063 E N 3.614 123.819 120.200 0.009 0.000 2.324 4063 E HA 0.454 4.804 4.350 0.000 0.000 0.271 4063 E C -0.180 176.424 176.600 0.006 0.000 1.028 4063 E CA 0.071 56.475 56.400 0.007 0.000 0.890 4063 E CB 0.765 30.469 29.700 0.007 0.000 1.004 4063 E HN 0.718 nan 8.360 nan 0.000 0.431 4064 V N 1.532 121.449 119.914 0.006 0.000 3.040 4064 V HA 0.857 4.978 4.120 0.000 0.000 0.312 4064 V C 0.501 176.598 176.094 0.004 0.000 1.115 4064 V CA -0.752 61.551 62.300 0.005 0.000 0.998 4064 V CB 1.675 33.501 31.823 0.005 0.000 1.042 4064 V HN 0.681 nan 8.190 nan 0.000 0.433 4065 G N 0.572 109.374 108.800 0.004 0.000 2.365 4065 G HA2 0.478 4.439 3.960 0.000 0.000 0.249 4065 G HA3 0.478 4.439 3.960 0.000 0.000 0.249 4065 G C 0.967 175.869 174.900 0.004 0.000 1.288 4065 G CA 0.111 45.213 45.100 0.003 0.000 0.887 4065 G HN 1.666 nan 8.290 nan 0.000 0.524 4066 A N 2.196 125.018 122.820 0.004 0.000 1.972 4066 A HA -0.042 4.278 4.320 0.000 0.000 0.219 4066 A C 1.911 179.497 177.584 0.004 0.000 1.169 4066 A CA 1.204 53.243 52.037 0.004 0.000 0.635 4066 A CB 0.023 19.025 19.000 0.004 0.000 0.810 4066 A HN 0.519 nan 8.150 nan 0.000 0.446 4067 Q N -0.108 119.694 119.800 0.003 0.000 2.165 4067 Q HA 0.102 4.443 4.340 0.000 0.000 0.245 4067 Q C -0.986 175.016 176.000 0.003 0.000 0.841 4067 Q CA -0.162 55.642 55.803 0.003 0.000 1.078 4067 Q CB 0.148 28.887 28.738 0.003 0.000 1.169 4067 Q HN 0.716 nan 8.270 nan 0.000 0.475 4068 D N 0.873 121.275 120.400 0.003 0.000 2.346 4068 D HA -0.012 4.628 4.640 0.000 0.000 0.260 4068 D C 1.284 177.584 176.300 0.001 0.000 1.252 4068 D CA 0.116 54.117 54.000 0.002 0.000 0.895 4068 D CB 0.911 41.712 40.800 0.002 0.000 1.097 4068 D HN -0.210 nan 8.370 nan 0.000 0.489 4069 K N 3.581 123.982 120.400 0.001 0.000 2.077 4069 K HA -0.292 4.028 4.320 0.000 0.000 0.213 4069 K C 1.558 178.157 176.600 -0.001 0.000 1.051 4069 K CA 2.092 58.380 56.287 0.001 0.000 0.929 4069 K CB -0.130 32.370 32.500 0.000 0.000 0.715 4069 K HN 0.662 nan 8.250 nan 0.000 0.451 4070 E N -0.471 119.728 120.200 -0.001 0.000 2.023 4070 E HA -0.219 4.132 4.350 0.000 0.000 0.196 4070 E C 1.981 178.579 176.600 -0.003 0.000 1.003 4070 E CA 1.674 58.072 56.400 -0.003 0.000 0.809 4070 E CB -0.268 29.430 29.700 -0.003 0.000 0.755 4070 E HN 0.346 nan 8.360 nan 0.000 0.449 4071 I N 0.597 121.166 120.570 -0.001 0.000 2.614 4071 I HA -0.187 3.984 4.170 0.000 0.000 0.258 4071 I C 1.893 178.010 176.117 0.001 0.000 1.189 4071 I CA 0.642 61.942 61.300 -0.000 0.000 1.462 4071 I CB -0.057 37.944 38.000 0.002 0.000 1.092 4071 I HN 0.204 nan 8.210 nan 0.000 0.442 4072 L N 0.057 121.281 121.223 0.001 0.000 2.093 4072 L HA -0.159 4.182 4.340 0.000 0.000 0.208 4072 L C 2.665 179.535 176.870 0.001 0.000 1.085 4072 L CA 2.358 57.199 54.840 0.002 0.000 0.755 4072 L CB -1.543 40.517 42.059 0.002 0.000 0.904 4072 L HN 0.480 nan 8.230 nan 0.000 0.435 4073 T N -4.846 109.707 114.554 -0.002 0.000 3.014 4073 T HA -0.075 4.276 4.350 0.000 0.000 0.263 4073 T C 1.900 176.596 174.700 -0.006 0.000 1.078 4073 T CA 0.496 62.594 62.100 -0.004 0.000 1.135 4073 T CB -0.083 68.782 68.868 -0.006 0.000 0.895 4073 T HN 0.184 nan 8.240 nan 0.000 0.480 4074 K N 0.510 120.906 120.400 -0.006 0.000 2.103 4074 K HA 0.129 4.449 4.320 0.000 0.000 0.204 4074 K C 2.116 178.714 176.600 -0.003 0.000 1.052 4074 K CA 0.820 57.103 56.287 -0.008 0.000 0.945 4074 K CB -0.131 32.365 32.500 -0.006 0.000 0.722 4074 K HN 0.258 nan 8.250 nan 0.000 0.443 4075 I N 1.242 121.813 120.570 0.001 0.000 2.202 4075 I HA -0.192 3.978 4.170 0.000 0.000 0.242 4075 I C 2.496 178.617 176.117 0.007 0.000 1.091 4075 I CA 1.148 62.452 61.300 0.006 0.000 1.368 4075 I CB -1.316 36.688 38.000 0.007 0.000 1.058 4075 I HN 0.085 nan 8.210 nan 0.000 0.410 4076 A N 0.955 123.777 122.820 0.004 0.000 1.851 4076 A HA -0.235 4.086 4.320 0.000 0.000 0.216 4076 A C 2.408 179.995 177.584 0.004 0.000 1.195 4076 A CA 1.928 53.968 52.037 0.004 0.000 0.622 4076 A CB -0.675 18.326 19.000 0.002 0.000 0.831 4076 A HN 0.334 nan 8.150 nan 0.000 0.444 4077 M N -0.973 118.626 119.600 -0.002 0.000 2.132 4077 M HA -0.123 4.357 4.480 0.000 0.000 0.263 4077 M C 2.275 178.572 176.300 -0.004 0.000 1.065 4077 M CA 1.915 57.210 55.300 -0.008 0.000 1.122 4077 M CB -0.740 31.847 32.600 -0.021 0.000 1.365 4077 M HN 0.474 nan 8.290 nan 0.000 0.411 4078 T N -0.140 114.413 114.554 -0.000 0.000 2.720 4078 T HA -0.160 4.190 4.350 0.000 0.000 0.268 4078 T C 1.956 176.678 174.700 0.038 0.000 1.037 4078 T CA 1.916 64.026 62.100 0.016 0.000 1.144 4078 T CB -0.317 68.563 68.868 0.019 0.000 0.864 4078 T HN 0.395 nan 8.240 nan 0.000 0.444 4079 S N 0.515 116.231 115.700 0.028 0.000 2.368 4079 S HA -0.038 4.433 4.470 0.000 0.000 0.225 4079 S C 2.035 176.656 174.600 0.035 0.000 1.030 4079 S CA 0.875 59.093 58.200 0.030 0.000 0.999 4079 S CB -0.482 62.730 63.200 0.020 0.000 0.844 4079 S HN 0.471 nan 8.310 nan 0.000 0.459 4080 I N 1.534 122.121 120.570 0.029 0.000 2.315 4080 I HA -0.090 4.081 4.170 0.000 0.000 0.248 4080 I C 1.291 177.438 176.117 0.049 0.000 1.117 4080 I CA 0.882 62.200 61.300 0.030 0.000 1.404 4080 I CB -0.905 37.106 38.000 0.018 0.000 1.071 4080 I HN 0.421 nan 8.210 nan 0.000 0.419 4081 T N -0.463 114.129 114.554 0.063 0.000 2.932 4081 T HA 0.307 4.658 4.350 0.000 0.000 0.312 4081 T C 1.148 175.950 174.700 0.169 0.000 1.071 4081 T CA 0.115 62.287 62.100 0.121 0.000 1.128 4081 T CB 1.238 70.183 68.868 0.130 0.000 0.984 4081 T HN 0.618 nan 8.240 nan 0.000 0.549 4082 G N 1.399 110.322 108.800 0.204 0.000 2.157 4082 G HA2 -0.205 3.755 3.960 0.000 0.000 0.248 4082 G HA3 -0.205 3.755 3.960 0.000 0.000 0.248 4082 G C -0.057 174.881 174.900 0.063 0.000 0.979 4082 G CA 0.380 45.552 45.100 0.120 0.000 0.650 4082 G HN 0.934 nan 8.290 nan 0.000 0.529 4083 K N -0.900 119.539 120.400 0.066 0.000 2.295 4083 K HA 0.611 4.931 4.320 0.000 0.000 0.239 4083 K C 1.560 178.185 176.600 0.042 0.000 0.991 4083 K CA -0.512 55.801 56.287 0.043 0.000 0.845 4083 K CB 1.343 33.864 32.500 0.037 0.000 1.197 4083 K HN 0.156 nan 8.250 nan 0.000 0.441 4084 G N 0.420 109.239 108.800 0.032 0.000 2.432 4084 G HA2 -0.247 3.714 3.960 0.000 0.000 0.219 4084 G HA3 -0.247 3.714 3.960 0.000 0.000 0.219 4084 G C 1.223 176.141 174.900 0.029 0.000 1.135 4084 G CA 1.068 46.186 45.100 0.030 0.000 0.767 4084 G HN 0.614 nan 8.290 nan 0.000 0.550 4085 A N 1.429 124.266 122.820 0.028 0.000 2.216 4085 A HA 0.066 4.386 4.320 0.000 0.000 0.214 4085 A C 2.096 179.693 177.584 0.023 0.000 1.160 4085 A CA 1.552 53.604 52.037 0.024 0.000 0.725 4085 A CB -0.398 18.615 19.000 0.022 0.000 0.784 4085 A HN 0.663 nan 8.150 nan 0.000 0.472 4086 E N 0.024 120.241 120.200 0.029 0.000 2.333 4086 E HA -0.235 4.115 4.350 0.000 0.000 0.198 4086 E C 1.756 178.364 176.600 0.014 0.000 1.007 4086 E CA 1.053 57.468 56.400 0.025 0.000 0.845 4086 E CB -0.212 29.515 29.700 0.045 0.000 0.766 4086 E HN 0.377 nan 8.360 nan 0.000 0.507 4087 K N 1.283 121.693 120.400 0.017 0.000 2.074 4087 K HA -0.127 4.193 4.320 0.000 0.000 0.209 4087 K C 1.180 177.782 176.600 0.005 0.000 1.048 4087 K CA 1.684 57.978 56.287 0.011 0.000 0.926 4087 K CB -0.144 32.364 32.500 0.014 0.000 0.713 4087 K HN 0.262 nan 8.250 nan 0.000 0.444 4088 A N 1.051 123.874 122.820 0.006 0.000 2.676 4088 A HA 0.117 4.437 4.320 0.000 0.000 0.297 4088 A C 1.216 178.801 177.584 0.002 0.000 1.132 4088 A CA -0.265 51.774 52.037 0.003 0.000 0.972 4088 A CB -0.063 18.941 19.000 0.006 0.000 1.197 4088 A HN 0.383 nan 8.150 nan 0.000 0.524 4089 K N 0.027 120.426 120.400 -0.001 0.000 2.281 4089 K HA -0.200 4.120 4.320 0.000 0.000 0.203 4089 K C 0.816 177.413 176.600 -0.006 0.000 1.046 4089 K CA 1.924 58.209 56.287 -0.003 0.000 0.938 4089 K CB -0.099 32.396 32.500 -0.008 0.000 0.737 4089 K HN 0.334 nan 8.250 nan 0.000 0.458 4090 E N 1.445 121.639 120.200 -0.009 0.000 2.072 4090 E HA -0.055 4.295 4.350 0.000 0.000 0.190 4090 E C 1.743 178.341 176.600 -0.004 0.000 0.982 4090 E CA 1.243 57.638 56.400 -0.009 0.000 0.803 4090 E CB 0.060 29.753 29.700 -0.012 0.000 0.755 4090 E HN 0.356 nan 8.360 nan 0.000 0.453 4091 K N -0.034 120.365 120.400 -0.001 0.000 2.103 4091 K HA -0.056 4.264 4.320 0.000 0.000 0.204 4091 K C 1.779 178.381 176.600 0.004 0.000 1.052 4091 K CA 0.621 56.909 56.287 0.002 0.000 0.945 4091 K CB -0.042 32.460 32.500 0.004 0.000 0.722 4091 K HN 0.014 nan 8.250 nan 0.000 0.443 4092 L N 0.890 122.116 121.223 0.004 0.000 2.056 4092 L HA -0.099 4.242 4.340 0.000 0.000 0.207 4092 L C 2.363 179.236 176.870 0.005 0.000 1.078 4092 L CA 1.644 56.487 54.840 0.006 0.000 0.749 4092 L CB -0.935 41.128 42.059 0.007 0.000 0.901 4092 L HN 0.121 nan 8.230 nan 0.000 0.433 4093 A N -0.961 121.861 122.820 0.002 0.000 1.933 4093 A HA -0.226 4.095 4.320 0.000 0.000 0.218 4093 A C 2.300 179.885 177.584 0.002 0.000 1.175 4093 A CA 1.643 53.681 52.037 0.001 0.000 0.628 4093 A CB -0.487 18.512 19.000 -0.002 0.000 0.814 4093 A HN 0.389 nan 8.150 nan 0.000 0.444 4094 E N 0.308 120.509 120.200 0.001 0.000 2.077 4094 E HA -0.144 4.206 4.350 0.000 0.000 0.193 4094 E C 1.695 178.298 176.600 0.005 0.000 0.989 4094 E CA 1.487 57.888 56.400 0.002 0.000 0.800 4094 E CB -0.366 29.335 29.700 0.002 0.000 0.746 4094 E HN 0.647 nan 8.360 nan 0.000 0.452 4095 I N -0.309 120.265 120.570 0.006 0.000 2.179 4095 I HA -0.232 3.938 4.170 0.000 0.000 0.242 4095 I C 1.924 178.046 176.117 0.007 0.000 1.088 4095 I CA 0.701 62.005 61.300 0.008 0.000 1.357 4095 I CB -0.149 37.856 38.000 0.010 0.000 1.051 4095 I HN 0.158 nan 8.210 nan 0.000 0.409 4096 I N -0.305 120.269 120.570 0.006 0.000 2.353 4096 I HA -0.176 3.994 4.170 0.000 0.000 0.248 4096 I C 2.295 178.415 176.117 0.005 0.000 1.119 4096 I CA 1.153 62.456 61.300 0.005 0.000 1.417 4096 I CB -0.271 37.732 38.000 0.005 0.000 1.078 4096 I HN -0.059 nan 8.210 nan 0.000 0.421 4097 V N 0.152 120.068 119.914 0.005 0.000 2.379 4097 V HA -0.185 3.935 4.120 0.000 0.000 0.245 4097 V C 2.438 178.535 176.094 0.005 0.000 1.044 4097 V CA 1.490 63.792 62.300 0.004 0.000 1.036 4097 V CB -0.564 31.261 31.823 0.003 0.000 0.664 4097 V HN 0.360 nan 8.190 nan 0.000 0.453 4098 E N 0.372 120.576 120.200 0.006 0.000 2.106 4098 E HA -0.117 4.233 4.350 0.000 0.000 0.192 4098 E C 2.348 178.953 176.600 0.008 0.000 0.984 4098 E CA 1.386 57.790 56.400 0.007 0.000 0.806 4098 E CB -0.475 29.230 29.700 0.008 0.000 0.750 4098 E HN 0.553 nan 8.360 nan 0.000 0.458 4099 A N 1.003 123.828 122.820 0.008 0.000 1.902 4099 A HA -0.134 4.186 4.320 0.000 0.000 0.217 4099 A C 2.613 180.201 177.584 0.006 0.000 1.181 4099 A CA 1.475 53.517 52.037 0.007 0.000 0.623 4099 A CB -0.657 18.347 19.000 0.006 0.000 0.818 4099 A HN 0.131 nan 8.150 nan 0.000 0.443 4100 V N -0.272 119.646 119.914 0.005 0.000 2.270 4100 V HA -0.202 3.919 4.120 0.000 0.000 0.245 4100 V C 2.772 178.869 176.094 0.006 0.000 1.043 4100 V CA 2.291 64.594 62.300 0.005 0.000 1.014 4100 V CB -0.869 30.957 31.823 0.004 0.000 0.645 4100 V HN 0.547 nan 8.190 nan 0.000 0.447 4101 S N 0.217 115.921 115.700 0.007 0.000 2.400 4101 S HA -0.204 4.266 4.470 0.000 0.000 0.232 4101 S C 2.170 176.776 174.600 0.010 0.000 1.025 4101 S CA 1.447 59.652 58.200 0.007 0.000 0.993 4101 S CB -0.480 62.725 63.200 0.008 0.000 0.808 4101 S HN 0.656 nan 8.310 nan 0.000 0.478 4102 A N 0.979 123.806 122.820 0.011 0.000 1.898 4102 A HA -0.033 4.287 4.320 0.000 0.000 0.216 4102 A C 2.330 179.923 177.584 0.015 0.000 1.181 4102 A CA 1.737 53.784 52.037 0.016 0.000 0.620 4102 A CB -0.610 18.400 19.000 0.016 0.000 0.819 4102 A HN 0.587 nan 8.150 nan 0.000 0.442 4103 V N -3.818 116.102 119.914 0.010 0.000 3.565 4103 V HA 0.113 4.233 4.120 0.000 0.000 0.260 4103 V C 1.957 178.054 176.094 0.005 0.000 1.231 4103 V CA 1.034 63.338 62.300 0.007 0.000 1.100 4103 V CB -0.238 31.587 31.823 0.003 0.000 0.807 4103 V HN 0.161 nan 8.190 nan 0.000 0.454 4104 V N 0.832 120.749 119.914 0.004 0.000 2.626 4104 V HA -0.092 4.028 4.120 0.000 0.000 0.252 4104 V C 1.573 177.668 176.094 0.002 0.000 1.067 4104 V CA 2.477 64.779 62.300 0.003 0.000 1.081 4104 V CB -0.538 31.287 31.823 0.003 0.000 0.686 4104 V HN 0.853 nan 8.190 nan 0.000 0.468 4105 D N -0.725 119.676 120.400 0.003 0.000 4.438 4105 D HA -0.217 4.423 4.640 0.000 0.000 0.158 4105 D C 0.592 176.892 176.300 -0.001 0.000 0.686 4105 D CA 1.921 55.921 54.000 0.000 0.000 1.183 4105 D CB -1.257 39.541 40.800 -0.003 0.000 0.623 4105 D HN 0.574 nan 8.370 nan 0.000 0.521 4106 D N 1.338 121.737 120.400 -0.003 0.000 2.398 4106 D HA 0.221 4.861 4.640 0.000 0.000 0.247 4106 D C -0.153 176.147 176.300 -0.001 0.000 1.227 4106 D CA 0.130 54.129 54.000 -0.003 0.000 0.980 4106 D CB 0.518 41.316 40.800 -0.004 0.000 1.106 4106 D HN 0.287 nan 8.370 nan 0.000 0.493 4107 E N 0.147 120.347 120.200 -0.001 0.000 2.136 4107 E HA 0.502 4.853 4.350 0.000 0.000 0.246 4107 E C -0.815 175.786 176.600 0.001 0.000 1.017 4107 E CA -0.531 55.869 56.400 0.001 0.000 0.883 4107 E CB -0.457 29.244 29.700 0.001 0.000 1.199 4107 E HN 0.496 nan 8.360 nan 0.000 0.447 4108 G N 2.766 111.567 108.800 0.001 0.000 2.384 4108 G HA2 0.169 4.129 3.960 0.000 0.000 0.300 4108 G HA3 0.169 4.129 3.960 0.000 0.000 0.300 4108 G C -1.857 173.043 174.900 0.001 0.000 1.582 4108 G CA -0.800 44.300 45.100 0.001 0.000 0.875 4108 G HN 0.151 nan 8.290 nan 0.000 0.628 4109 K N 0.902 121.302 120.400 0.000 0.000 2.588 4109 K HA 0.575 4.895 4.320 0.000 0.000 0.250 4109 K C -1.579 175.021 176.600 0.000 0.000 0.972 4109 K CA -0.632 55.655 56.287 0.000 0.000 0.821 4109 K CB 2.121 34.621 32.500 -0.000 0.000 1.249 4109 K HN 0.940 nan 8.250 nan 0.000 0.442 4110 V N 3.244 123.159 119.914 0.000 0.000 2.483 4110 V HA 0.418 4.538 4.120 0.000 0.000 0.295 4110 V C -1.002 175.092 176.094 -0.001 0.000 1.035 4110 V CA -0.498 61.802 62.300 0.000 0.000 0.896 4110 V CB 1.588 33.411 31.823 0.001 0.000 0.986 4110 V HN 0.781 nan 8.190 nan 0.000 0.447 4111 D N 4.671 125.069 120.400 -0.002 0.000 2.329 4111 D HA 0.321 4.961 4.640 0.000 0.000 0.232 4111 D C 0.862 177.159 176.300 -0.005 0.000 1.088 4111 D CA -0.252 53.746 54.000 -0.004 0.000 0.835 4111 D CB 1.828 42.625 40.800 -0.006 0.000 1.078 4111 D HN 0.594 nan 8.370 nan 0.000 0.495 4112 K N 2.232 122.629 120.400 -0.005 0.000 2.281 4112 K HA -0.167 4.153 4.320 0.000 0.000 0.203 4112 K C 0.890 177.484 176.600 -0.010 0.000 1.046 4112 K CA 0.916 57.200 56.287 -0.006 0.000 0.938 4112 K CB 0.206 32.703 32.500 -0.005 0.000 0.737 4112 K HN 0.394 nan 8.250 nan 0.000 0.458 4113 D N 0.717 121.110 120.400 -0.012 0.000 2.269 4113 D HA -0.071 4.569 4.640 0.000 0.000 0.208 4113 D C 1.326 177.614 176.300 -0.020 0.000 0.963 4113 D CA 0.659 54.649 54.000 -0.017 0.000 0.864 4113 D CB 0.175 40.965 40.800 -0.018 0.000 0.936 4113 D HN 0.103 nan 8.370 nan 0.000 0.505 4114 L N -0.151 121.063 121.223 -0.015 0.000 2.558 4114 L HA 0.186 4.526 4.340 0.000 0.000 0.225 4114 L C 0.312 177.174 176.870 -0.013 0.000 1.128 4114 L CA 0.213 55.045 54.840 -0.014 0.000 0.868 4114 L CB 0.220 42.274 42.059 -0.009 0.000 1.006 4114 L HN 0.021 nan 8.230 nan 0.000 0.454 4115 I N 0.551 121.114 120.570 -0.012 0.000 2.502 4115 I HA 0.176 4.346 4.170 0.000 0.000 0.276 4115 I C 0.077 176.185 176.117 -0.015 0.000 1.057 4115 I CA -0.412 60.881 61.300 -0.010 0.000 1.163 4115 I CB 1.001 38.998 38.000 -0.005 0.000 1.288 4115 I HN -0.085 nan 8.210 nan 0.000 0.479 4116 K N 6.204 126.591 120.400 -0.022 0.000 2.368 4116 K HA 0.292 4.612 4.320 0.000 0.000 0.282 4116 K C -0.399 176.186 176.600 -0.024 0.000 1.035 4116 K CA -0.362 55.907 56.287 -0.029 0.000 0.973 4116 K CB 0.969 33.442 32.500 -0.045 0.000 0.957 4116 K HN 0.440 nan 8.250 nan 0.000 0.474 4117 I N 4.266 124.822 120.570 -0.022 0.000 2.287 4117 I HA 0.145 4.316 4.170 0.000 0.000 0.290 4117 I C 0.239 176.343 176.117 -0.023 0.000 1.069 4117 I CA -0.567 60.723 61.300 -0.017 0.000 1.237 4117 I CB 0.503 38.496 38.000 -0.011 0.000 1.418 4117 I HN 0.506 nan 8.210 nan 0.000 0.481 4118 E N 7.300 127.485 120.200 -0.024 0.000 2.183 4118 E HA 0.560 4.910 4.350 0.000 0.000 0.271 4118 E C -0.898 175.691 176.600 -0.017 0.000 0.919 4118 E CA -0.714 55.668 56.400 -0.031 0.000 0.781 4118 E CB 1.395 31.064 29.700 -0.051 0.000 1.140 4118 E HN 0.550 nan 8.360 nan 0.000 0.402 4119 K N 2.244 122.634 120.400 -0.017 0.000 2.427 4119 K HA 0.686 5.006 4.320 0.000 0.000 0.252 4119 K C -1.194 175.400 176.600 -0.010 0.000 0.931 4119 K CA -1.170 55.112 56.287 -0.010 0.000 0.793 4119 K CB 1.906 34.400 32.500 -0.011 0.000 1.211 4119 K HN 0.216 nan 8.250 nan 0.000 0.426 4120 K N 1.450 121.849 120.400 -0.002 0.000 2.581 4120 K HA 0.188 4.508 4.320 0.000 0.000 0.249 4120 K C -1.224 175.378 176.600 0.003 0.000 0.966 4120 K CA -0.366 55.922 56.287 0.001 0.000 0.811 4120 K CB 2.254 34.763 32.500 0.014 0.000 1.223 4120 K HN 0.697 nan 8.250 nan 0.000 0.438 4121 S N 2.573 118.270 115.700 -0.006 0.000 2.560 4121 S HA 0.594 5.064 4.470 0.000 0.000 0.284 4121 S C 0.017 174.620 174.600 0.005 0.000 1.327 4121 S CA 1.239 59.436 58.200 -0.005 0.000 1.055 4121 S CB -0.130 63.060 63.200 -0.015 0.000 0.868 4121 S HN 1.045 nan 8.310 nan 0.000 0.506 4122 G N 1.969 110.774 108.800 0.008 0.000 2.348 4122 G HA2 0.532 4.492 3.960 0.000 0.000 0.606 4122 G HA3 0.532 4.492 3.960 0.000 0.000 0.606 4122 G C -0.180 174.728 174.900 0.014 0.000 1.466 4122 G CA -0.032 45.075 45.100 0.012 0.000 0.950 4122 G HN 2.071 nan 8.290 nan 0.000 0.657 4123 A N -0.616 122.212 122.820 0.013 0.000 6.088 4123 A HA 0.419 4.739 4.320 0.000 0.000 0.261 4123 A C 1.266 178.858 177.584 0.013 0.000 2.138 4123 A CA 1.982 54.026 52.037 0.012 0.000 0.708 4123 A CB -1.808 17.200 19.000 0.014 0.000 1.068 4123 A HN 2.916 nan 8.150 nan 0.000 0.364 4124 S N -1.656 114.051 115.700 0.013 0.000 2.759 4124 S HA 0.733 5.203 4.470 0.000 0.000 0.310 4124 S C 1.057 175.666 174.600 0.014 0.000 1.123 4124 S CA 0.084 58.292 58.200 0.013 0.000 0.959 4124 S CB 1.316 64.523 63.200 0.011 0.000 1.172 4124 S HN 1.918 nan 8.310 nan 0.000 0.539 4125 I N 0.517 121.095 120.570 0.014 0.000 2.567 4125 I HA -0.138 4.033 4.170 0.000 0.000 0.257 4125 I C 1.070 177.194 176.117 0.012 0.000 1.184 4125 I CA 1.443 62.751 61.300 0.014 0.000 1.451 4125 I CB -0.232 37.777 38.000 0.015 0.000 1.089 4125 I HN 0.634 nan 8.210 nan 0.000 0.441 4126 D N 0.851 121.258 120.400 0.011 0.000 2.219 4126 D HA -0.159 4.481 4.640 0.000 0.000 0.205 4126 D C 1.267 177.573 176.300 0.010 0.000 0.970 4126 D CA 1.220 55.225 54.000 0.009 0.000 0.851 4126 D CB -0.177 40.627 40.800 0.007 0.000 0.943 4126 D HN 0.517 nan 8.370 nan 0.000 0.488 4127 D N -0.188 120.219 120.400 0.012 0.000 2.363 4127 D HA -0.026 4.614 4.640 0.000 0.000 0.220 4127 D C 0.249 176.561 176.300 0.019 0.000 0.994 4127 D CA 0.400 54.408 54.000 0.014 0.000 0.890 4127 D CB 0.077 40.886 40.800 0.015 0.000 0.906 4127 D HN -0.056 nan 8.370 nan 0.000 0.530 4128 T N 1.802 116.368 114.554 0.019 0.000 2.908 4128 T HA 0.131 4.481 4.350 0.000 0.000 0.301 4128 T C 0.214 174.927 174.700 0.022 0.000 1.019 4128 T CA 0.261 62.374 62.100 0.021 0.000 1.152 4128 T CB 0.307 69.185 68.868 0.017 0.000 0.966 4128 T HN 0.295 nan 8.240 nan 0.000 0.540 4129 E N 1.869 122.087 120.200 0.029 0.000 2.412 4129 E HA 0.582 4.932 4.350 0.000 0.000 0.279 4129 E C -1.621 175.001 176.600 0.036 0.000 0.984 4129 E CA -1.157 55.261 56.400 0.030 0.000 0.788 4129 E CB 1.168 30.888 29.700 0.033 0.000 1.277 4129 E HN 0.308 nan 8.360 nan 0.000 0.455 4130 L N 1.782 123.024 121.223 0.032 0.000 2.307 4130 L HA 0.515 4.855 4.340 0.000 0.000 0.282 4130 L C -1.122 175.775 176.870 0.045 0.000 1.051 4130 L CA -0.440 54.419 54.840 0.032 0.000 0.804 4130 L CB 1.069 43.142 42.059 0.022 0.000 1.197 4130 L HN 0.598 nan 8.230 nan 0.000 0.431 4131 I N 5.503 126.104 120.570 0.052 0.000 2.382 4131 I HA 0.261 4.431 4.170 0.000 0.000 0.285 4131 I C 0.029 176.177 176.117 0.052 0.000 1.007 4131 I CA -0.696 60.650 61.300 0.076 0.000 1.142 4131 I CB 1.151 39.224 38.000 0.122 0.000 1.289 4131 I HN 0.595 nan 8.210 nan 0.000 0.453 4132 K N 5.874 126.302 120.400 0.046 0.000 2.199 4132 K HA 0.548 4.868 4.320 0.000 0.000 0.226 4132 K C 0.187 176.809 176.600 0.036 0.000 1.237 4132 K CA -0.123 56.183 56.287 0.032 0.000 1.170 4132 K CB -0.083 32.431 32.500 0.022 0.000 1.418 4132 K HN 0.854 nan 8.250 nan 0.000 0.255 4133 G N 0.076 108.894 108.800 0.031 0.000 2.368 4133 G HA2 0.142 4.102 3.960 0.000 0.000 0.269 4133 G HA3 0.142 4.102 3.960 0.000 0.000 0.269 4133 G C -1.714 173.186 174.900 0.000 0.000 1.291 4133 G CA -0.708 44.406 45.100 0.023 0.000 0.903 4133 G HN 0.145 nan 8.290 nan 0.000 0.483 4134 V N 0.629 120.531 119.914 -0.020 0.000 2.540 4134 V HA 0.674 4.794 4.120 0.000 0.000 0.302 4134 V C -0.640 175.379 176.094 -0.126 0.000 1.035 4134 V CA -0.655 61.601 62.300 -0.074 0.000 0.873 4134 V CB 1.454 33.218 31.823 -0.098 0.000 0.992 4134 V HN 0.885 nan 8.190 nan 0.000 0.428 4135 L N 6.751 127.854 121.223 -0.200 0.000 2.265 4135 L HA 0.673 5.014 4.340 0.000 0.000 0.289 4135 L C -0.455 176.259 176.870 -0.260 0.000 1.033 4135 L CA 0.152 54.764 54.840 -0.379 0.000 0.814 4135 L CB 1.494 43.232 42.059 -0.535 0.000 1.203 4135 L HN 0.445 nan 8.230 nan 0.000 0.423 4136 V N 4.487 124.268 119.914 -0.220 0.000 2.472 4136 V HA 0.313 4.433 4.120 0.000 0.000 0.290 4136 V C -0.220 175.820 176.094 -0.090 0.000 1.037 4136 V CA -0.626 61.603 62.300 -0.118 0.000 0.908 4136 V CB 1.610 33.409 31.823 -0.040 0.000 0.985 4136 V HN 0.830 nan 8.190 nan 0.000 0.454 4137 D N 3.596 123.958 120.400 -0.062 0.000 3.085 4137 D HA 0.193 4.833 4.640 0.000 0.000 0.243 4137 D C 0.056 176.355 176.300 -0.002 0.000 1.232 4137 D CA -0.277 53.698 54.000 -0.042 0.000 0.913 4137 D CB 0.116 40.891 40.800 -0.041 0.000 1.108 4137 D HN 0.243 nan 8.370 nan 0.000 0.468 4138 K N 0.519 120.932 120.400 0.023 0.000 2.439 4138 K HA 0.423 4.744 4.320 0.000 0.000 0.260 4138 K C 0.345 176.971 176.600 0.043 0.000 1.032 4138 K CA -0.645 55.669 56.287 0.045 0.000 0.882 4138 K CB 2.360 34.913 32.500 0.089 0.000 1.420 4138 K HN 0.331 nan 8.250 nan 0.000 0.455 4139 E N 0.643 120.861 120.200 0.029 0.000 2.393 4139 E HA 0.402 4.752 4.350 0.000 0.000 0.265 4139 E C -0.681 175.914 176.600 -0.009 0.000 0.941 4139 E CA -0.909 55.501 56.400 0.017 0.000 0.801 4139 E CB 1.157 30.865 29.700 0.013 0.000 1.313 4139 E HN 0.209 nan 8.360 nan 0.000 0.435 4140 R N 1.024 121.512 120.500 -0.019 0.000 2.351 4140 R HA 0.103 4.443 4.340 0.000 0.000 0.318 4140 R C 1.044 177.315 176.300 -0.049 0.000 1.055 4140 R CA -0.104 55.967 56.100 -0.047 0.000 0.968 4140 R CB 0.532 30.805 30.300 -0.044 0.000 0.974 4140 R HN 0.516 nan 8.270 nan 0.000 0.439 4141 V N 1.980 121.858 119.914 -0.061 0.000 2.688 4141 V HA -0.154 3.966 4.120 0.000 0.000 0.256 4141 V C 0.772 176.825 176.094 -0.069 0.000 1.084 4141 V CA 1.911 64.178 62.300 -0.054 0.000 1.103 4141 V CB 0.052 31.843 31.823 -0.055 0.000 0.688 4141 V HN 0.726 nan 8.190 nan 0.000 0.480 4142 S N -2.117 113.530 115.700 -0.088 0.000 2.526 4142 S HA 0.667 5.137 4.470 0.000 0.000 0.293 4142 S C 0.790 175.333 174.600 -0.094 0.000 1.092 4142 S CA -0.167 57.961 58.200 -0.119 0.000 0.980 4142 S CB 1.856 64.944 63.200 -0.188 0.000 1.048 4142 S HN 0.481 nan 8.310 nan 0.000 0.483 4143 A N 2.860 125.627 122.820 -0.088 0.000 2.070 4143 A HA -0.056 4.265 4.320 0.000 0.000 0.220 4143 A C 1.863 179.408 177.584 -0.066 0.000 1.159 4143 A CA 1.612 53.611 52.037 -0.063 0.000 0.656 4143 A CB -0.586 18.385 19.000 -0.050 0.000 0.800 4143 A HN 0.888 nan 8.150 nan 0.000 0.453 4144 Q N -1.111 118.632 119.800 -0.095 0.000 2.424 4144 Q HA 0.176 4.517 4.340 0.000 0.000 0.204 4144 Q C 0.396 176.355 176.000 -0.068 0.000 0.933 4144 Q CA -0.140 55.614 55.803 -0.082 0.000 0.929 4144 Q CB -0.065 28.607 28.738 -0.110 0.000 1.037 4144 Q HN 0.670 nan 8.270 nan 0.000 0.511 4145 M N 2.103 121.658 119.600 -0.074 0.000 2.242 4145 M HA 0.259 4.739 4.480 0.000 0.000 0.344 4145 M C -2.049 174.226 176.300 -0.042 0.000 1.140 4145 M CA -1.946 53.319 55.300 -0.059 0.000 1.160 4145 M CB 0.585 33.143 32.600 -0.069 0.000 1.491 4145 M HN -0.062 nan 8.290 nan 0.000 0.459 4146 P HA 0.013 nan 4.420 nan 0.000 0.266 4146 P C -0.521 176.765 177.300 -0.024 0.000 1.193 4146 P CA 0.288 63.374 63.100 -0.024 0.000 0.770 4146 P CB 0.471 32.160 31.700 -0.019 0.000 0.836 4147 K N 0.791 121.182 120.400 -0.015 0.000 2.367 4147 K HA 0.104 4.425 4.320 0.000 0.000 0.194 4147 K C 0.517 177.118 176.600 0.002 0.000 1.027 4147 K CA 0.358 56.640 56.287 -0.007 0.000 1.075 4147 K CB 0.366 32.862 32.500 -0.006 0.000 0.845 4147 K HN 0.311 nan 8.250 nan 0.000 0.529 4148 K N 1.192 121.591 120.400 -0.001 0.000 2.581 4148 K HA 0.267 4.588 4.320 0.000 0.000 0.249 4148 K C -1.816 174.785 176.600 0.003 0.000 0.966 4148 K CA -0.467 55.822 56.287 0.004 0.000 0.811 4148 K CB 1.984 34.484 32.500 -0.001 0.000 1.223 4148 K HN -0.239 nan 8.250 nan 0.000 0.438 4149 V N 3.122 123.042 119.914 0.010 0.000 2.531 4149 V HA 0.430 4.551 4.120 0.000 0.000 0.301 4149 V C -0.216 175.888 176.094 0.017 0.000 1.034 4149 V CA -0.716 61.589 62.300 0.009 0.000 0.865 4149 V CB 1.748 33.574 31.823 0.005 0.000 0.995 4149 V HN 0.944 nan 8.190 nan 0.000 0.424 4150 T N -0.120 114.441 114.554 0.012 0.000 2.925 4150 T HA 0.589 4.939 4.350 0.000 0.000 0.285 4150 T C 0.001 174.709 174.700 0.014 0.000 1.021 4150 T CA -0.318 61.790 62.100 0.013 0.000 1.042 4150 T CB 1.422 70.294 68.868 0.007 0.000 1.037 4150 T HN 0.764 nan 8.240 nan 0.000 0.481 4151 D N 0.180 120.590 120.400 0.016 0.000 2.699 4151 D HA -0.137 4.503 4.640 0.000 0.000 0.239 4151 D C 0.225 176.538 176.300 0.022 0.000 1.136 4151 D CA 0.865 54.875 54.000 0.016 0.000 0.668 4151 D CB -1.247 39.560 40.800 0.011 0.000 1.060 4151 D HN 1.096 nan 8.370 nan 0.000 0.429 4152 A N 1.479 124.317 122.820 0.030 0.000 2.425 4152 A HA 0.454 4.774 4.320 0.000 0.000 0.249 4152 A C 0.465 178.074 177.584 0.043 0.000 1.084 4152 A CA -0.024 52.036 52.037 0.038 0.000 0.781 4152 A CB 0.674 19.707 19.000 0.055 0.000 1.019 4152 A HN 0.145 nan 8.150 nan 0.000 0.490 4153 K N 2.776 123.200 120.400 0.040 0.000 2.404 4153 K HA 0.377 4.697 4.320 0.000 0.000 0.257 4153 K C -1.221 175.415 176.600 0.060 0.000 1.026 4153 K CA -0.254 56.059 56.287 0.044 0.000 0.951 4153 K CB 1.035 33.553 32.500 0.031 0.000 1.203 4153 K HN 0.542 nan 8.250 nan 0.000 0.446 4154 I N 2.203 122.826 120.570 0.088 0.000 2.371 4154 I HA 0.181 4.351 4.170 0.000 0.000 0.290 4154 I C 0.395 176.586 176.117 0.123 0.000 1.028 4154 I CA -0.093 61.295 61.300 0.146 0.000 1.345 4154 I CB 1.319 39.438 38.000 0.199 0.000 1.407 4154 I HN 0.504 nan 8.210 nan 0.000 0.501 4155 A N 7.581 130.481 122.820 0.134 0.000 2.330 4155 A HA 0.854 5.174 4.320 0.000 0.000 0.327 4155 A C -0.786 176.891 177.584 0.155 0.000 1.155 4155 A CA -0.564 51.536 52.037 0.105 0.000 0.803 4155 A CB 0.676 19.713 19.000 0.062 0.000 1.208 4155 A HN 0.653 nan 8.150 nan 0.000 0.477 4156 L N 3.477 124.766 121.223 0.110 0.000 2.345 4156 L HA 0.469 4.809 4.340 0.000 0.000 0.274 4156 L C -1.033 175.879 176.870 0.069 0.000 0.999 4156 L CA -0.052 54.851 54.840 0.104 0.000 0.849 4156 L CB 0.927 43.023 42.059 0.061 0.000 1.220 4156 L HN 0.568 nan 8.230 nan 0.000 0.422 4157 L N 2.878 124.145 121.223 0.074 0.000 2.365 4157 L HA 0.420 4.760 4.340 0.000 0.000 0.273 4157 L C 0.359 177.258 176.870 0.048 0.000 1.000 4157 L CA -0.539 54.332 54.840 0.050 0.000 0.819 4157 L CB 2.083 44.168 42.059 0.044 0.000 1.284 4157 L HN 0.580 nan 8.230 nan 0.000 0.418 4158 N N -0.241 118.480 118.700 0.034 0.000 2.205 4158 N HA 0.019 4.760 4.740 0.000 0.000 0.201 4158 N C 0.099 175.624 175.510 0.025 0.000 1.128 4158 N CA -0.309 52.759 53.050 0.029 0.000 0.867 4158 N CB 0.281 38.781 38.487 0.022 0.000 0.996 4158 N HN 0.407 nan 8.380 nan 0.000 0.503 4159 C N 1.660 120.974 119.300 0.024 0.000 2.499 4159 C HA 0.763 5.223 4.460 0.000 0.000 0.386 4159 C C 0.968 175.972 174.990 0.023 0.000 1.293 4159 C CA -0.962 58.069 59.018 0.021 0.000 1.884 4159 C CB -1.351 26.400 27.740 0.019 0.000 2.509 4159 C HN 0.563 nan 8.230 nan 0.000 0.566 4160 A N 6.340 129.173 122.820 0.021 0.000 2.540 4160 A HA 0.361 4.681 4.320 0.000 0.000 0.239 4160 A C 0.174 177.772 177.584 0.023 0.000 1.061 4160 A CA 0.135 52.185 52.037 0.022 0.000 0.758 4160 A CB -0.034 18.977 19.000 0.019 0.000 0.991 4160 A HN 0.894 nan 8.150 nan 0.000 0.502 4161 I N 2.362 122.948 120.570 0.025 0.000 2.257 4161 I HA 0.231 4.402 4.170 0.000 0.000 0.290 4161 I C 0.322 176.459 176.117 0.034 0.000 1.137 4161 I CA 0.469 61.787 61.300 0.029 0.000 1.255 4161 I CB -0.174 37.845 38.000 0.031 0.000 1.485 4161 I HN 0.784 nan 8.210 nan 0.000 0.534 4162 E N 5.073 125.291 120.200 0.030 0.000 2.317 4162 E HA 0.325 4.675 4.350 0.000 0.000 0.270 4162 E C -1.277 175.340 176.600 0.027 0.000 0.899 4162 E CA -0.512 55.907 56.400 0.031 0.000 0.814 4162 E CB 1.425 31.140 29.700 0.026 0.000 1.296 4162 E HN 0.261 nan 8.360 nan 0.000 0.404 4163 E N 2.724 122.943 120.200 0.032 0.000 2.256 4163 E HA 0.250 4.600 4.350 0.000 0.000 0.268 4163 E C -0.842 175.774 176.600 0.027 0.000 0.877 4163 E CA -0.766 55.649 56.400 0.025 0.000 0.757 4163 E CB 2.148 31.861 29.700 0.023 0.000 1.183 4163 E HN 0.458 nan 8.360 nan 0.000 0.418 4164 T N 1.560 116.126 114.554 0.020 0.000 2.934 4164 T HA 0.327 4.677 4.350 0.000 0.000 0.306 4164 T C 0.189 174.901 174.700 0.021 0.000 1.042 4164 T CA 0.834 62.945 62.100 0.018 0.000 1.145 4164 T CB 0.208 69.084 68.868 0.013 0.000 0.982 4164 T HN 0.720 nan 8.240 nan 0.000 0.544 4165 A N 2.552 125.386 122.820 0.024 0.000 2.435 4165 A HA -0.089 4.231 4.320 0.000 0.000 0.686 4165 A C 1.587 179.199 177.584 0.046 0.000 0.138 4165 A CA 0.268 52.322 52.037 0.027 0.000 0.024 4165 A CB -1.523 17.488 19.000 0.018 0.000 3.974 4165 A HN 0.942 nan 8.150 nan 0.000 0.548 4166 S N 0.116 115.854 115.700 0.064 0.000 2.383 4166 S HA -0.130 4.340 4.470 0.000 0.000 0.227 4166 S C 1.635 176.285 174.600 0.083 0.000 1.026 4166 S CA 2.047 60.326 58.200 0.131 0.000 0.981 4166 S CB -0.176 63.123 63.200 0.165 0.000 0.818 4166 S HN 1.044 nan 8.310 nan 0.000 0.472 4167 E N 0.737 120.952 120.200 0.024 0.000 2.106 4167 E HA -0.036 4.314 4.350 0.000 0.000 0.192 4167 E C 1.955 178.527 176.600 -0.046 0.000 0.984 4167 E CA 1.261 57.641 56.400 -0.034 0.000 0.806 4167 E CB -0.177 29.511 29.700 -0.020 0.000 0.750 4167 E HN 0.401 nan 8.360 nan 0.000 0.458 4168 M N -0.352 119.240 119.600 -0.014 0.000 2.200 4168 M HA -0.015 4.465 4.480 0.000 0.000 0.265 4168 M C 2.056 178.349 176.300 -0.011 0.000 1.066 4168 M CA 0.789 56.081 55.300 -0.013 0.000 1.127 4168 M CB -0.744 31.857 32.600 0.001 0.000 1.379 4168 M HN 0.237 nan 8.290 nan 0.000 0.420 4169 L N 0.621 121.851 121.223 0.012 0.000 2.179 4169 L HA -0.068 4.272 4.340 0.000 0.000 0.208 4169 L C 2.316 179.188 176.870 0.003 0.000 1.096 4169 L CA 1.752 56.613 54.840 0.036 0.000 0.779 4169 L CB -0.730 41.383 42.059 0.090 0.000 0.922 4169 L HN 0.222 nan 8.230 nan 0.000 0.443 4170 K N -0.644 119.696 120.400 -0.101 0.000 2.147 4170 K HA -0.246 4.074 4.320 0.000 0.000 0.205 4170 K C 1.802 178.278 176.600 -0.207 0.000 1.049 4170 K CA 1.699 57.773 56.287 -0.356 0.000 0.936 4170 K CB -0.155 31.896 32.500 -0.747 0.000 0.722 4170 K HN 0.396 nan 8.250 nan 0.000 0.446 4171 D N -0.077 120.248 120.400 -0.125 0.000 2.144 4171 D HA -0.163 4.477 4.640 0.000 0.000 0.199 4171 D C 1.836 178.105 176.300 -0.051 0.000 0.984 4171 D CA 1.190 55.142 54.000 -0.080 0.000 0.834 4171 D CB 0.170 40.938 40.800 -0.053 0.000 0.955 4171 D HN 0.137 nan 8.370 nan 0.000 0.465 4172 M N -0.094 119.485 119.600 -0.034 0.000 2.132 4172 M HA -0.082 4.399 4.480 0.000 0.000 0.263 4172 M C 2.298 178.594 176.300 -0.008 0.000 1.065 4172 M CA 0.652 55.946 55.300 -0.011 0.000 1.122 4172 M CB -0.799 31.804 32.600 0.005 0.000 1.365 4172 M HN 0.030 nan 8.290 nan 0.000 0.411 4173 V N 0.660 120.567 119.914 -0.011 0.000 2.343 4173 V HA -0.234 3.886 4.120 0.000 0.000 0.247 4173 V C 2.715 178.800 176.094 -0.015 0.000 1.051 4173 V CA 1.872 64.173 62.300 0.003 0.000 1.036 4173 V CB -1.357 30.483 31.823 0.028 0.000 0.654 4173 V HN 0.486 nan 8.190 nan 0.000 0.451 4174 A N -0.168 122.624 122.820 -0.046 0.000 1.930 4174 A HA -0.236 4.084 4.320 0.000 0.000 0.217 4174 A C 2.186 179.756 177.584 -0.023 0.000 1.175 4174 A CA 1.956 53.968 52.037 -0.042 0.000 0.627 4174 A CB -0.449 18.512 19.000 -0.064 0.000 0.815 4174 A HN 0.560 nan 8.150 nan 0.000 0.443 4175 E N 0.285 120.473 120.200 -0.020 0.000 2.106 4175 E HA -0.098 4.252 4.350 0.000 0.000 0.192 4175 E C 1.665 178.264 176.600 -0.002 0.000 0.984 4175 E CA 1.258 57.652 56.400 -0.010 0.000 0.806 4175 E CB -0.355 29.340 29.700 -0.008 0.000 0.750 4175 E HN 0.645 nan 8.360 nan 0.000 0.458 4176 I N 0.434 121.005 120.570 0.000 0.000 2.252 4176 I HA -0.212 3.959 4.170 0.000 0.000 0.245 4176 I C 2.511 178.632 176.117 0.005 0.000 1.102 4176 I CA 0.919 62.223 61.300 0.006 0.000 1.385 4176 I CB -0.326 37.680 38.000 0.009 0.000 1.064 4176 I HN 0.068 nan 8.210 nan 0.000 0.414 4177 K N 1.752 122.154 120.400 0.002 0.000 2.097 4177 K HA -0.146 4.174 4.320 0.000 0.000 0.206 4177 K C 2.099 178.700 176.600 0.002 0.000 1.049 4177 K CA 1.746 58.035 56.287 0.003 0.000 0.933 4177 K CB -0.221 32.280 32.500 0.001 0.000 0.717 4177 K HN 0.292 nan 8.250 nan 0.000 0.442 4178 A N 0.559 123.378 122.820 -0.001 0.000 1.978 4178 A HA -0.111 4.209 4.320 0.000 0.000 0.220 4178 A C 2.248 179.834 177.584 0.003 0.000 1.170 4178 A CA 2.050 54.086 52.037 -0.001 0.000 0.636 4178 A CB -0.524 18.473 19.000 -0.004 0.000 0.810 4178 A HN 0.380 nan 8.150 nan 0.000 0.448 4179 S N -1.815 113.888 115.700 0.005 0.000 2.447 4179 S HA 0.233 4.703 4.470 0.000 0.000 0.233 4179 S C 1.550 176.156 174.600 0.010 0.000 1.006 4179 S CA 1.242 59.447 58.200 0.009 0.000 0.957 4179 S CB -0.147 63.059 63.200 0.012 0.000 0.773 4179 S HN 1.695 nan 8.310 nan 0.000 0.507 4180 G N 0.729 109.535 108.800 0.009 0.000 2.163 4180 G HA2 -0.107 3.854 3.960 0.000 0.000 0.213 4180 G HA3 -0.107 3.854 3.960 0.000 0.000 0.213 4180 G C 0.120 175.028 174.900 0.012 0.000 0.991 4180 G CA -0.176 44.931 45.100 0.010 0.000 0.653 4180 G HN 0.835 nan 8.290 nan 0.000 0.518 4181 A N 0.043 122.871 122.820 0.013 0.000 2.540 4181 A HA 0.564 4.884 4.320 0.000 0.000 0.239 4181 A C 1.188 178.775 177.584 0.006 0.000 1.061 4181 A CA 1.037 53.082 52.037 0.015 0.000 0.758 4181 A CB 0.169 19.178 19.000 0.015 0.000 0.991 4181 A HN 0.375 nan 8.150 nan 0.000 0.502 4182 N N 0.616 119.319 118.700 0.005 0.000 2.382 4182 N HA 0.116 4.856 4.740 0.000 0.000 0.200 4182 N C -0.656 174.837 175.510 -0.028 0.000 1.122 4182 N CA 0.525 53.572 53.050 -0.006 0.000 0.870 4182 N CB 0.903 39.392 38.487 0.003 0.000 1.176 4182 N HN 0.389 nan 8.380 nan 0.000 0.474 4183 V N 2.389 122.286 119.914 -0.029 0.000 2.487 4183 V HA 0.445 4.565 4.120 0.000 0.000 0.298 4183 V C -0.967 175.058 176.094 -0.116 0.000 1.028 4183 V CA -0.831 61.411 62.300 -0.097 0.000 0.860 4183 V CB 2.391 34.191 31.823 -0.039 0.000 0.991 4183 V HN 0.004 nan 8.190 nan 0.000 0.427 4184 L N 5.569 126.641 121.223 -0.251 0.000 2.381 4184 L HA 0.712 5.053 4.340 0.000 0.000 0.274 4184 L C -1.419 175.237 176.870 -0.358 0.000 0.988 4184 L CA -0.023 54.712 54.840 -0.174 0.000 0.824 4184 L CB 1.476 43.483 42.059 -0.087 0.000 1.263 4184 L HN 0.469 nan 8.230 nan 0.000 0.410 4185 F N 4.877 124.829 119.950 0.005 0.000 2.375 4185 F HA 0.459 4.986 4.527 0.000 0.000 0.361 4185 F C 0.141 175.942 175.800 0.003 0.000 1.117 4185 F CA -0.362 57.639 58.000 0.001 0.000 1.037 4185 F CB 1.405 40.404 39.000 -0.002 0.000 1.192 4185 F HN 0.509 nan 8.300 nan 0.000 0.452 4186 C N 5.030 124.409 119.300 0.132 0.000 2.303 4186 C HA 0.253 4.713 4.460 0.000 0.000 0.326 4186 C C 1.613 176.654 174.990 0.085 0.000 1.285 4186 C CA -0.423 58.646 59.018 0.085 0.000 1.675 4186 C CB 0.777 28.542 27.740 0.043 0.000 2.289 4186 C HN 0.948 nan 8.230 nan 0.000 0.512 4187 Q N 3.414 123.255 119.800 0.068 0.000 2.079 4187 Q HA -0.048 4.292 4.340 0.000 0.000 0.200 4187 Q C 1.022 177.045 176.000 0.038 0.000 0.974 4187 Q CA 1.664 57.497 55.803 0.050 0.000 0.840 4187 Q CB 0.170 28.928 28.738 0.035 0.000 0.898 4187 Q HN 0.777 nan 8.270 nan 0.000 0.430 4188 K N -1.133 119.287 120.400 0.033 0.000 2.842 4188 K HA 0.397 4.718 4.320 0.000 0.000 0.310 4188 K C 0.494 177.109 176.600 0.026 0.000 0.992 4188 K CA -0.117 56.186 56.287 0.026 0.000 1.207 4188 K CB -0.243 32.270 32.500 0.022 0.000 1.478 4188 K HN 0.105 nan 8.250 nan 0.000 0.601 4189 G N 0.326 109.138 108.800 0.022 0.000 2.504 4189 G HA2 0.502 4.462 3.960 0.000 0.000 0.288 4189 G HA3 0.502 4.462 3.960 0.000 0.000 0.288 4189 G C -0.634 174.278 174.900 0.020 0.000 1.182 4189 G CA -0.631 44.481 45.100 0.019 0.000 0.894 4189 G HN 0.337 nan 8.290 nan 0.000 0.521 4190 I N 0.846 121.427 120.570 0.018 0.000 2.447 4190 I HA 0.167 4.338 4.170 0.000 0.000 0.287 4190 I C -0.539 175.594 176.117 0.026 0.000 1.023 4190 I CA -0.761 60.552 61.300 0.021 0.000 1.083 4190 I CB 1.989 39.996 38.000 0.011 0.000 1.245 4190 I HN 0.410 nan 8.210 nan 0.000 0.434 4191 D N 5.332 125.753 120.400 0.036 0.000 2.414 4191 D HA -0.035 4.605 4.640 0.000 0.000 0.242 4191 D C 0.677 177.011 176.300 0.058 0.000 1.129 4191 D CA 0.104 54.129 54.000 0.042 0.000 0.885 4191 D CB 1.357 42.184 40.800 0.045 0.000 1.198 4191 D HN 0.497 nan 8.370 nan 0.000 0.437 4192 D N 2.964 123.403 120.400 0.064 0.000 2.190 4192 D HA -0.169 4.472 4.640 0.000 0.000 0.200 4192 D C 1.920 178.333 176.300 0.187 0.000 0.992 4192 D CA 0.746 54.819 54.000 0.120 0.000 0.854 4192 D CB 0.258 41.128 40.800 0.116 0.000 0.936 4192 D HN 0.341 nan 8.370 nan 0.000 0.462 4193 L N 0.955 122.225 121.223 0.079 0.000 2.046 4193 L HA -0.102 4.239 4.340 0.000 0.000 0.208 4193 L C 2.494 179.428 176.870 0.107 0.000 1.077 4193 L CA 1.255 56.111 54.840 0.027 0.000 0.747 4193 L CB -0.958 41.136 42.059 0.058 0.000 0.896 4193 L HN -0.049 nan 8.230 nan 0.000 0.432 4194 A N -1.421 121.491 122.820 0.153 0.000 1.930 4194 A HA -0.208 4.112 4.320 0.000 0.000 0.217 4194 A C 2.209 179.869 177.584 0.125 0.000 1.175 4194 A CA 1.216 53.361 52.037 0.180 0.000 0.627 4194 A CB -0.397 18.672 19.000 0.114 0.000 0.815 4194 A HN 0.517 nan 8.150 nan 0.000 0.443 4195 Q N -1.182 118.662 119.800 0.073 0.000 2.124 4195 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 4195 Q C 1.920 177.874 176.000 -0.076 0.000 0.977 4195 Q CA 1.867 57.660 55.803 -0.016 0.000 0.850 4195 Q CB -0.293 28.401 28.738 -0.074 0.000 0.901 4195 Q HN 0.863 nan 8.270 nan 0.000 0.429 4196 H N -1.296 117.712 119.070 -0.103 0.000 2.363 4196 H HA -0.106 4.450 4.556 0.000 0.000 0.301 4196 H C 1.321 176.564 175.328 -0.142 0.000 1.074 4196 H CA 1.390 57.335 56.048 -0.172 0.000 1.354 4196 H CB 0.028 29.607 29.762 -0.305 0.000 1.397 4196 H HN 0.240 nan 8.280 nan 0.000 0.516 4197 Y N 0.098 120.465 120.300 0.111 0.000 2.314 4197 Y HA -0.076 4.474 4.550 0.000 0.000 0.293 4197 Y C 2.254 178.167 175.900 0.022 0.000 1.129 4197 Y CA 0.602 58.735 58.100 0.054 0.000 1.201 4197 Y CB -0.486 37.998 38.460 0.040 0.000 0.999 4197 Y HN 0.127 nan 8.280 nan 0.000 0.541 4198 L N -1.035 120.283 121.223 0.157 0.000 2.046 4198 L HA -0.213 4.127 4.340 0.000 0.000 0.208 4198 L C 2.620 179.507 176.870 0.028 0.000 1.077 4198 L CA 1.155 56.035 54.840 0.068 0.000 0.747 4198 L CB -0.771 41.306 42.059 0.029 0.000 0.896 4198 L HN 0.191 nan 8.230 nan 0.000 0.432 4199 A N 0.019 122.841 122.820 0.003 0.000 1.933 4199 A HA -0.204 4.116 4.320 0.000 0.000 0.218 4199 A C 2.303 179.892 177.584 0.008 0.000 1.175 4199 A CA 1.528 53.551 52.037 -0.023 0.000 0.628 4199 A CB -0.308 18.646 19.000 -0.077 0.000 0.814 4199 A HN 0.308 nan 8.150 nan 0.000 0.444 4200 K N -0.367 120.060 120.400 0.045 0.000 2.147 4200 K HA -0.096 4.224 4.320 0.000 0.000 0.205 4200 K C 1.378 178.010 176.600 0.054 0.000 1.049 4200 K CA 1.239 57.564 56.287 0.063 0.000 0.936 4200 K CB -0.029 32.544 32.500 0.121 0.000 0.722 4200 K HN 0.384 nan 8.250 nan 0.000 0.446 4201 E N -0.469 119.764 120.200 0.055 0.000 2.478 4201 E HA 0.003 4.353 4.350 0.000 0.000 0.194 4201 E C 0.897 177.508 176.600 0.018 0.000 1.045 4201 E CA 0.526 56.947 56.400 0.036 0.000 0.868 4201 E CB 0.594 30.317 29.700 0.037 0.000 0.885 4201 E HN 0.478 nan 8.360 nan 0.000 0.505 4202 G N 1.951 110.757 108.800 0.011 0.000 2.147 4202 G HA2 -0.284 3.676 3.960 0.000 0.000 0.244 4202 G HA3 -0.284 3.676 3.960 0.000 0.000 0.244 4202 G C 0.222 175.116 174.900 -0.010 0.000 1.005 4202 G CA 0.174 45.273 45.100 -0.002 0.000 0.713 4202 G HN 0.253 nan 8.290 nan 0.000 0.515 4203 I N 1.041 121.604 120.570 -0.011 0.000 2.315 4203 I HA 0.443 4.614 4.170 0.000 0.000 0.291 4203 I C 0.995 177.084 176.117 -0.047 0.000 1.006 4203 I CA -1.169 60.117 61.300 -0.024 0.000 1.265 4203 I CB 1.570 39.561 38.000 -0.014 0.000 1.387 4203 I HN 0.144 nan 8.210 nan 0.000 0.475 4204 V N 3.626 123.499 119.914 -0.070 0.000 2.644 4204 V HA 0.934 5.055 4.120 0.000 0.000 0.295 4204 V C 0.058 176.056 176.094 -0.159 0.000 1.053 4204 V CA -0.326 61.913 62.300 -0.101 0.000 0.987 4204 V CB 1.308 33.073 31.823 -0.098 0.000 1.006 4204 V HN 0.832 nan 8.190 nan 0.000 0.472 4205 A N 3.138 125.858 122.820 -0.167 0.000 2.549 4205 A HA 0.984 5.304 4.320 0.000 0.000 0.297 4205 A C -0.393 177.073 177.584 -0.197 0.000 1.061 4205 A CA -0.296 51.618 52.037 -0.204 0.000 0.690 4205 A CB 1.799 20.729 19.000 -0.117 0.000 1.287 4205 A HN 2.340 nan 8.150 nan 0.000 0.402 4206 A N 1.956 124.631 122.820 -0.242 0.000 2.353 4206 A HA 0.740 5.061 4.320 0.000 0.000 0.299 4206 A C 0.022 177.592 177.584 -0.023 0.000 1.089 4206 A CA -0.627 51.340 52.037 -0.117 0.000 0.736 4206 A CB 0.748 19.687 19.000 -0.102 0.000 1.195 4206 A HN 1.217 nan 8.150 nan 0.000 0.447 4207 R N 1.855 122.357 120.500 0.002 0.000 2.608 4207 R HA 0.714 5.054 4.340 0.000 0.000 0.255 4207 R C -0.348 175.976 176.300 0.040 0.000 1.086 4207 R CA -0.773 55.342 56.100 0.025 0.000 1.125 4207 R CB 0.376 30.683 30.300 0.012 0.000 1.193 4207 R HN 0.490 nan 8.270 nan 0.000 0.553 4208 R N -1.084 119.438 120.500 0.037 0.000 3.525 4208 R HA -0.109 4.231 4.340 0.000 0.000 0.276 4208 R C -0.714 175.611 176.300 0.042 0.000 1.116 4208 R CA 0.590 56.710 56.100 0.033 0.000 0.745 4208 R CB -2.654 27.660 30.300 0.023 0.000 1.185 4208 R HN 0.517 nan 8.270 nan 0.000 0.454 4209 V N 1.432 121.384 119.914 0.063 0.000 2.572 4209 V HA 0.066 4.186 4.120 0.000 0.000 0.291 4209 V C 1.428 177.541 176.094 0.031 0.000 1.039 4209 V CA -0.157 62.185 62.300 0.071 0.000 1.055 4209 V CB 1.338 33.239 31.823 0.129 0.000 0.969 4209 V HN 0.138 nan 8.190 nan 0.000 0.482 4210 K N 3.257 123.664 120.400 0.011 0.000 2.382 4210 K HA 0.033 4.353 4.320 0.000 0.000 0.275 4210 K C 1.171 177.763 176.600 -0.013 0.000 1.009 4210 K CA -0.349 55.936 56.287 -0.004 0.000 0.970 4210 K CB 0.555 33.047 32.500 -0.014 0.000 0.934 4210 K HN 0.589 nan 8.250 nan 0.000 0.479 4211 K N 2.044 122.439 120.400 -0.010 0.000 2.074 4211 K HA -0.178 4.142 4.320 0.000 0.000 0.209 4211 K C 1.906 178.490 176.600 -0.027 0.000 1.048 4211 K CA 2.107 58.386 56.287 -0.013 0.000 0.926 4211 K CB -0.560 31.935 32.500 -0.008 0.000 0.713 4211 K HN 0.594 nan 8.250 nan 0.000 0.444 4212 S N 0.271 115.954 115.700 -0.029 0.000 2.359 4212 S HA -0.176 4.295 4.470 0.000 0.000 0.224 4212 S C 1.383 175.948 174.600 -0.059 0.000 1.035 4212 S CA 1.850 60.028 58.200 -0.038 0.000 1.018 4212 S CB -0.520 62.660 63.200 -0.034 0.000 0.876 4212 S HN 0.415 nan 8.310 nan 0.000 0.448 4213 D N 0.782 121.141 120.400 -0.068 0.000 2.144 4213 D HA -0.037 4.604 4.640 0.000 0.000 0.200 4213 D C 2.009 178.216 176.300 -0.154 0.000 0.978 4213 D CA 0.906 54.838 54.000 -0.112 0.000 0.833 4213 D CB -0.264 40.474 40.800 -0.104 0.000 0.961 4213 D HN 0.380 nan 8.370 nan 0.000 0.470 4214 M N 0.491 120.027 119.600 -0.106 0.000 2.159 4214 M HA -0.088 4.392 4.480 0.000 0.000 0.263 4214 M C 1.888 178.134 176.300 -0.089 0.000 1.063 4214 M CA 1.195 56.436 55.300 -0.098 0.000 1.110 4214 M CB -0.748 31.830 32.600 -0.036 0.000 1.374 4214 M HN 0.116 nan 8.290 nan 0.000 0.411 4215 E N 0.052 120.210 120.200 -0.069 0.000 2.072 4215 E HA -0.135 4.216 4.350 0.000 0.000 0.190 4215 E C 2.069 178.628 176.600 -0.067 0.000 0.982 4215 E CA 0.856 57.222 56.400 -0.055 0.000 0.803 4215 E CB 0.005 29.681 29.700 -0.040 0.000 0.755 4215 E HN 0.495 nan 8.360 nan 0.000 0.453 4216 K N 0.628 120.978 120.400 -0.085 0.000 2.097 4216 K HA -0.094 4.227 4.320 0.000 0.000 0.205 4216 K C 2.204 178.739 176.600 -0.109 0.000 1.050 4216 K CA 0.804 57.038 56.287 -0.088 0.000 0.938 4216 K CB -0.075 32.368 32.500 -0.095 0.000 0.718 4216 K HN 0.107 nan 8.250 nan 0.000 0.442 4217 L N 0.466 121.591 121.223 -0.165 0.000 2.056 4217 L HA -0.169 4.171 4.340 0.000 0.000 0.207 4217 L C 2.590 179.391 176.870 -0.114 0.000 1.078 4217 L CA 1.073 55.791 54.840 -0.204 0.000 0.749 4217 L CB -0.542 41.286 42.059 -0.386 0.000 0.901 4217 L HN 0.192 nan 8.230 nan 0.000 0.433 4218 A N 0.094 122.863 122.820 -0.085 0.000 1.902 4218 A HA -0.204 4.116 4.320 0.000 0.000 0.217 4218 A C 2.329 179.895 177.584 -0.030 0.000 1.181 4218 A CA 1.594 53.606 52.037 -0.043 0.000 0.623 4218 A CB -0.296 18.684 19.000 -0.032 0.000 0.818 4218 A HN 0.305 nan 8.150 nan 0.000 0.443 4219 K N -0.377 120.002 120.400 -0.035 0.000 2.025 4219 K HA -0.029 4.291 4.320 0.000 0.000 0.207 4219 K C 2.363 178.954 176.600 -0.015 0.000 1.049 4219 K CA 1.178 57.452 56.287 -0.023 0.000 0.933 4219 K CB -0.294 32.190 32.500 -0.026 0.000 0.714 4219 K HN 0.430 nan 8.250 nan 0.000 0.438 4220 A N 1.129 123.934 122.820 -0.024 0.000 1.854 4220 A HA -0.132 4.188 4.320 0.000 0.000 0.214 4220 A C 2.304 179.889 177.584 0.001 0.000 1.192 4220 A CA 2.102 54.131 52.037 -0.012 0.000 0.611 4220 A CB -1.021 17.963 19.000 -0.027 0.000 0.832 4220 A HN 0.465 nan 8.150 nan 0.000 0.442 4221 T N -4.079 110.470 114.554 -0.008 0.000 3.023 4221 T HA 0.339 4.690 4.350 0.000 0.000 0.266 4221 T C 1.466 176.177 174.700 0.018 0.000 1.093 4221 T CA 1.277 63.382 62.100 0.010 0.000 1.129 4221 T CB -0.250 68.624 68.868 0.010 0.000 0.899 4221 T HN 1.806 nan 8.240 nan 0.000 0.491 4222 G N 1.368 110.174 108.800 0.011 0.000 2.137 4222 G HA2 0.001 3.961 3.960 0.000 0.000 0.237 4222 G HA3 0.001 3.961 3.960 0.000 0.000 0.237 4222 G C 0.210 175.119 174.900 0.014 0.000 1.002 4222 G CA -0.024 45.084 45.100 0.014 0.000 0.702 4222 G HN 1.179 nan 8.290 nan 0.000 0.515 4223 A N -0.378 122.449 122.820 0.012 0.000 2.371 4223 A HA 0.637 4.958 4.320 0.000 0.000 0.257 4223 A C 0.374 177.965 177.584 0.012 0.000 1.089 4223 A CA 0.284 52.332 52.037 0.019 0.000 0.794 4223 A CB 0.521 19.538 19.000 0.028 0.000 1.029 4223 A HN 0.750 nan 8.150 nan 0.000 0.488 4224 N N 1.511 120.221 118.700 0.018 0.000 2.444 4224 N HA 0.366 5.106 4.740 0.000 0.000 0.262 4224 N C -0.914 174.606 175.510 0.017 0.000 0.974 4224 N CA -0.348 52.710 53.050 0.013 0.000 0.933 4224 N CB 1.227 39.721 38.487 0.013 0.000 1.137 4224 N HN 0.286 nan 8.380 nan 0.000 0.498 4225 V N 4.874 124.795 119.914 0.011 0.000 2.485 4225 V HA 0.135 4.255 4.120 0.000 0.000 0.287 4225 V C 0.387 176.490 176.094 0.016 0.000 1.022 4225 V CA -0.009 62.300 62.300 0.015 0.000 1.067 4225 V CB -0.145 31.682 31.823 0.006 0.000 0.967 4225 V HN 0.514 nan 8.190 nan 0.000 0.479 4226 I N 4.064 124.647 120.570 0.021 0.000 2.441 4226 I HA 0.446 4.616 4.170 0.000 0.000 0.295 4226 I C 0.971 177.099 176.117 0.019 0.000 0.994 4226 I CA -0.367 60.944 61.300 0.019 0.000 1.144 4226 I CB 1.378 39.390 38.000 0.020 0.000 1.314 4226 I HN 0.629 nan 8.210 nan 0.000 0.445 4227 A N 5.516 128.345 122.820 0.014 0.000 1.832 4227 A HA 0.310 4.630 4.320 0.000 0.000 0.214 4227 A C 1.147 178.740 177.584 0.014 0.000 1.204 4227 A CA 1.052 53.097 52.037 0.014 0.000 0.606 4227 A CB -0.257 18.749 19.000 0.010 0.000 0.849 4227 A HN 0.731 nan 8.150 nan 0.000 0.445 4228 A N -0.741 122.087 122.820 0.013 0.000 2.309 4228 A HA 0.609 4.929 4.320 0.000 0.000 0.298 4228 A C 0.864 178.456 177.584 0.013 0.000 1.165 4228 A CA -0.538 51.506 52.037 0.012 0.000 0.821 4228 A CB 0.132 19.138 19.000 0.009 0.000 1.102 4228 A HN 0.399 nan 8.150 nan 0.000 0.500 4229 I N 1.999 122.577 120.570 0.013 0.000 2.264 4229 I HA -0.322 3.848 4.170 0.000 0.000 0.248 4229 I C 2.756 178.879 176.117 0.010 0.000 1.111 4229 I CA 1.758 63.067 61.300 0.014 0.000 1.382 4229 I CB -0.245 37.763 38.000 0.013 0.000 1.060 4229 I HN 0.759 nan 8.210 nan 0.000 0.418 4230 A N 0.662 123.487 122.820 0.008 0.000 1.972 4230 A HA -0.153 4.167 4.320 0.000 0.000 0.219 4230 A C 2.482 180.069 177.584 0.006 0.000 1.169 4230 A CA 1.827 53.867 52.037 0.005 0.000 0.635 4230 A CB -0.686 18.316 19.000 0.004 0.000 0.810 4230 A HN 0.449 nan 8.150 nan 0.000 0.446 4231 A N -1.080 121.744 122.820 0.008 0.000 2.066 4231 A HA 0.267 4.587 4.320 0.000 0.000 0.218 4231 A C 1.020 178.610 177.584 0.010 0.000 1.157 4231 A CA 0.364 52.406 52.037 0.008 0.000 0.670 4231 A CB -0.499 18.506 19.000 0.009 0.000 0.804 4231 A HN 0.579 nan 8.150 nan 0.000 0.453 4232 L N 1.881 123.111 121.223 0.012 0.000 2.534 4232 L HA 0.291 4.631 4.340 0.000 0.000 0.271 4232 L C 0.473 177.351 176.870 0.012 0.000 1.178 4232 L CA 0.573 55.422 54.840 0.015 0.000 0.907 4232 L CB 0.235 42.305 42.059 0.018 0.000 1.164 4232 L HN 0.361 nan 8.230 nan 0.000 0.482 4233 S N 3.447 119.155 115.700 0.013 0.000 2.709 4233 S HA 0.792 5.262 4.470 0.000 0.000 0.302 4233 S C 0.878 175.486 174.600 0.014 0.000 1.127 4233 S CA -0.351 57.856 58.200 0.012 0.000 0.905 4233 S CB 1.293 64.499 63.200 0.010 0.000 1.151 4233 S HN 0.807 nan 8.310 nan 0.000 0.510 4234 A N 0.442 123.270 122.820 0.013 0.000 1.972 4234 A HA -0.065 4.255 4.320 0.000 0.000 0.219 4234 A C 2.026 179.620 177.584 0.016 0.000 1.169 4234 A CA 1.248 53.293 52.037 0.014 0.000 0.635 4234 A CB -0.879 18.128 19.000 0.012 0.000 0.810 4234 A HN 0.734 nan 8.150 nan 0.000 0.446 4235 Q N 0.129 119.937 119.800 0.014 0.000 2.437 4235 Q HA -0.094 4.246 4.340 0.000 0.000 0.210 4235 Q C 0.498 176.508 176.000 0.016 0.000 0.972 4235 Q CA 1.012 56.824 55.803 0.014 0.000 0.903 4235 Q CB -0.211 28.534 28.738 0.011 0.000 0.967 4235 Q HN 0.661 nan 8.270 nan 0.000 0.486 4236 D N -0.212 120.199 120.400 0.018 0.000 2.350 4236 D HA 0.081 4.722 4.640 0.000 0.000 0.213 4236 D C 0.403 176.719 176.300 0.026 0.000 1.031 4236 D CA 0.079 54.091 54.000 0.020 0.000 0.861 4236 D CB 0.646 41.458 40.800 0.020 0.000 0.926 4236 D HN 0.199 nan 8.370 nan 0.000 0.520 4237 L N 0.928 122.168 121.223 0.028 0.000 2.349 4237 L HA 0.369 4.709 4.340 0.000 0.000 0.275 4237 L C 1.207 178.098 176.870 0.036 0.000 1.115 4237 L CA -0.461 54.401 54.840 0.036 0.000 0.820 4237 L CB 1.244 43.324 42.059 0.033 0.000 1.135 4237 L HN -0.137 nan 8.230 nan 0.000 0.445 4238 G N 1.294 110.120 108.800 0.044 0.000 2.488 4238 G HA2 0.437 4.397 3.960 0.000 0.000 0.318 4238 G HA3 0.437 4.397 3.960 0.000 0.000 0.318 4238 G C -1.148 173.779 174.900 0.046 0.000 1.188 4238 G CA -0.478 44.646 45.100 0.041 0.000 0.944 4238 G HN 0.538 nan 8.290 nan 0.000 0.495 4239 D N -0.279 120.145 120.400 0.040 0.000 2.350 4239 D HA 0.615 5.255 4.640 0.000 0.000 0.245 4239 D C -0.336 175.988 176.300 0.039 0.000 1.036 4239 D CA 0.047 54.071 54.000 0.039 0.000 0.848 4239 D CB 2.114 42.933 40.800 0.032 0.000 1.307 4239 D HN 0.578 nan 8.370 nan 0.000 0.469 4240 A N 0.384 123.230 122.820 0.043 0.000 2.455 4240 A HA 0.618 4.938 4.320 0.000 0.000 0.300 4240 A C 0.859 178.463 177.584 0.034 0.000 1.040 4240 A CA -0.434 51.628 52.037 0.043 0.000 0.697 4240 A CB 1.712 20.752 19.000 0.067 0.000 1.265 4240 A HN 0.504 nan 8.150 nan 0.000 0.407 4241 G N 0.314 109.128 108.800 0.023 0.000 2.394 4241 G HA2 0.309 4.270 3.960 0.000 0.000 0.215 4241 G HA3 0.309 4.270 3.960 0.000 0.000 0.215 4241 G C 0.304 175.218 174.900 0.023 0.000 1.165 4241 G CA 1.571 46.680 45.100 0.015 0.000 0.784 4241 G HN 1.137 nan 8.290 nan 0.000 0.535 4242 L N 0.272 121.515 121.223 0.035 0.000 2.470 4242 L HA 0.657 4.997 4.340 0.000 0.000 0.268 4242 L C -1.311 175.602 176.870 0.072 0.000 0.964 4242 L CA -0.852 54.013 54.840 0.042 0.000 0.839 4242 L CB 2.547 44.624 42.059 0.029 0.000 1.276 4242 L HN -0.126 nan 8.230 nan 0.000 0.403 4243 V N 4.603 124.562 119.914 0.075 0.000 2.407 4243 V HA 0.649 4.770 4.120 0.000 0.000 0.291 4243 V C -0.515 175.632 176.094 0.089 0.000 1.018 4243 V CA -0.459 61.906 62.300 0.107 0.000 0.842 4243 V CB 1.478 33.367 31.823 0.110 0.000 0.996 4243 V HN 0.833 nan 8.190 nan 0.000 0.426 4244 E N 3.068 123.344 120.200 0.125 0.000 2.321 4244 E HA 0.381 4.731 4.350 0.000 0.000 0.278 4244 E C -1.103 175.589 176.600 0.153 0.000 0.902 4244 E CA -0.661 55.797 56.400 0.095 0.000 0.758 4244 E CB 2.276 32.003 29.700 0.045 0.000 1.213 4244 E HN 0.764 nan 8.360 nan 0.000 0.426 4245 E N 4.225 124.486 120.200 0.102 0.000 2.152 4245 E HA 0.245 4.596 4.350 0.000 0.000 0.285 4245 E C -0.906 175.755 176.600 0.102 0.000 1.043 4245 E CA -0.189 56.282 56.400 0.118 0.000 0.839 4245 E CB 0.670 30.406 29.700 0.060 0.000 1.069 4245 E HN 0.336 nan 8.360 nan 0.000 0.399 4246 R N 3.573 124.179 120.500 0.177 0.000 2.744 4246 R HA 0.393 4.733 4.340 0.000 0.000 0.279 4246 R C -0.796 175.597 176.300 0.154 0.000 0.977 4246 R CA -0.965 55.194 56.100 0.099 0.000 0.906 4246 R CB 1.946 32.199 30.300 -0.079 0.000 1.197 4246 R HN 0.331 nan 8.270 nan 0.000 0.463 4247 K N 2.316 122.764 120.400 0.080 0.000 2.234 4247 K HA 0.387 4.708 4.320 0.000 0.000 0.277 4247 K C -0.509 176.141 176.600 0.084 0.000 1.038 4247 K CA -0.500 55.834 56.287 0.078 0.000 0.888 4247 K CB 1.038 33.562 32.500 0.040 0.000 1.091 4247 K HN 0.258 nan 8.250 nan 0.000 0.467 4248 I N 2.640 123.275 120.570 0.108 0.000 2.359 4248 I HA 0.066 4.236 4.170 0.000 0.000 0.284 4248 I C 0.134 176.287 176.117 0.059 0.000 1.018 4248 I CA -0.285 61.075 61.300 0.100 0.000 1.173 4248 I CB 0.683 38.775 38.000 0.153 0.000 1.326 4248 I HN 0.685 nan 8.210 nan 0.000 0.462 4249 S N 4.627 120.351 115.700 0.041 0.000 3.587 4249 S HA -0.195 4.275 4.470 0.000 0.000 0.337 4249 S C 1.336 175.949 174.600 0.022 0.000 1.119 4249 S CA 1.130 59.346 58.200 0.026 0.000 0.976 4249 S CB -1.226 61.988 63.200 0.023 0.000 0.922 4249 S HN 1.333 nan 8.310 nan 0.000 0.503 4250 G N 0.368 109.184 108.800 0.026 0.000 2.420 4250 G HA2 -0.258 3.703 3.960 0.000 0.000 0.221 4250 G HA3 -0.258 3.703 3.960 0.000 0.000 0.221 4250 G C -0.379 174.537 174.900 0.027 0.000 1.117 4250 G CA 0.063 45.176 45.100 0.021 0.000 0.657 4250 G HN 0.597 nan 8.290 nan 0.000 0.512 4251 D N 1.665 122.083 120.400 0.030 0.000 2.417 4251 D HA 0.424 5.065 4.640 0.000 0.000 0.250 4251 D C 0.452 176.781 176.300 0.049 0.000 1.166 4251 D CA 0.766 54.784 54.000 0.031 0.000 0.881 4251 D CB 1.531 42.345 40.800 0.023 0.000 1.164 4251 D HN 0.262 nan 8.370 nan 0.000 0.467 4252 S N 3.005 118.731 115.700 0.043 0.000 2.505 4252 S HA 0.385 4.855 4.470 0.000 0.000 0.276 4252 S C -0.219 174.417 174.600 0.061 0.000 1.274 4252 S CA -0.400 57.835 58.200 0.059 0.000 1.053 4252 S CB 0.075 63.300 63.200 0.041 0.000 0.919 4252 S HN 0.310 nan 8.310 nan 0.000 0.490 4253 M N 4.495 124.155 119.600 0.100 0.000 2.593 4253 M HA 0.524 5.004 4.480 0.000 0.000 0.290 4253 M C -1.127 175.241 176.300 0.113 0.000 1.244 4253 M CA -0.611 54.721 55.300 0.053 0.000 0.857 4253 M CB 2.173 34.752 32.600 -0.034 0.000 1.738 4253 M HN 0.432 nan 8.290 nan 0.000 0.461 4254 I N 1.722 122.314 120.570 0.037 0.000 2.339 4254 I HA 0.364 4.534 4.170 0.000 0.000 0.290 4254 I C -1.283 174.841 176.117 0.012 0.000 0.994 4254 I CA -0.375 61.001 61.300 0.126 0.000 1.191 4254 I CB 0.898 39.002 38.000 0.173 0.000 1.343 4254 I HN 0.436 nan 8.210 nan 0.000 0.458 4255 F N 5.876 125.863 119.950 0.061 0.000 2.405 4255 F HA 0.358 4.886 4.527 0.000 0.000 0.355 4255 F C 0.196 176.031 175.800 0.058 0.000 1.121 4255 F CA -0.666 57.361 58.000 0.046 0.000 1.112 4255 F CB 1.361 40.377 39.000 0.027 0.000 1.126 4255 F HN 0.031 nan 8.300 nan 0.000 0.481 4256 V N 4.394 124.406 119.914 0.163 0.000 2.275 4256 V HA 0.341 4.462 4.120 0.000 0.000 0.272 4256 V C -0.314 175.840 176.094 0.100 0.000 1.028 4256 V CA -0.548 61.825 62.300 0.122 0.000 0.810 4256 V CB 0.318 32.181 31.823 0.066 0.000 1.043 4256 V HN 0.831 nan 8.190 nan 0.000 0.453 4257 E N 2.808 123.072 120.200 0.107 0.000 2.423 4257 E HA 0.655 5.006 4.350 0.000 0.000 0.269 4257 E C -0.639 175.989 176.600 0.047 0.000 0.948 4257 E CA -0.896 55.552 56.400 0.081 0.000 0.802 4257 E CB 1.501 31.265 29.700 0.106 0.000 1.339 4257 E HN 0.152 nan 8.360 nan 0.000 0.445 4258 E N -1.232 118.984 120.200 0.026 0.000 2.868 4258 E HA -0.160 4.190 4.350 0.000 0.000 0.278 4258 E C -0.634 175.960 176.600 -0.010 0.000 1.009 4258 E CA 0.677 57.078 56.400 0.003 0.000 0.856 4258 E CB -2.439 27.263 29.700 0.004 0.000 1.428 4258 E HN 0.566 nan 8.360 nan 0.000 0.423 4259 C N 0.771 120.067 119.300 -0.007 0.000 2.652 4259 C HA 0.109 4.570 4.460 0.000 0.000 0.412 4259 C C 2.283 177.230 174.990 -0.072 0.000 1.294 4259 C CA -0.224 58.783 59.018 -0.018 0.000 2.127 4259 C CB 0.548 28.289 27.740 0.001 0.000 2.691 4259 C HN 0.354 nan 8.230 nan 0.000 0.615 4260 K N 0.585 120.923 120.400 -0.103 0.000 1.978 4260 K HA -0.098 4.222 4.320 0.000 0.000 0.214 4260 K C 0.405 176.703 176.600 -0.502 0.000 1.049 4260 K CA 1.390 57.508 56.287 -0.281 0.000 0.939 4260 K CB -0.077 32.303 32.500 -0.201 0.000 0.721 4260 K HN 0.689 nan 8.250 nan 0.000 0.441 4261 H N 0.143 119.218 119.070 0.008 0.000 2.488 4261 H HA 0.235 4.791 4.556 0.000 0.000 0.237 4261 H C -2.498 172.832 175.328 0.004 0.000 1.395 4261 H CA -1.963 54.088 56.048 0.006 0.000 1.491 4261 H CB 0.713 30.478 29.762 0.004 0.000 1.567 4261 H HN 0.194 nan 8.280 nan 0.000 0.508 4262 P HA 0.112 nan 4.420 nan 0.000 0.271 4262 P C 0.309 177.636 177.300 0.045 0.000 1.218 4262 P CA -0.457 62.668 63.100 0.042 0.000 0.780 4262 P CB 1.832 33.544 31.700 0.020 0.000 0.901 4263 K N 0.377 120.793 120.400 0.026 0.000 2.358 4263 K HA 0.453 4.773 4.320 0.000 0.000 0.200 4263 K C 0.277 176.880 176.600 0.005 0.000 1.030 4263 K CA 0.059 56.356 56.287 0.018 0.000 1.097 4263 K CB 0.686 33.193 32.500 0.012 0.000 0.862 4263 K HN 0.556 nan 8.250 nan 0.000 0.534 4264 A N 0.421 123.242 122.820 0.001 0.000 2.486 4264 A HA 0.679 4.999 4.320 0.000 0.000 0.300 4264 A C -0.944 176.636 177.584 -0.006 0.000 1.048 4264 A CA -0.777 51.254 52.037 -0.009 0.000 0.696 4264 A CB 1.260 20.246 19.000 -0.024 0.000 1.278 4264 A HN -0.011 nan 8.150 nan 0.000 0.405 4265 V N -1.251 118.659 119.914 -0.007 0.000 3.074 4265 V HA 0.973 5.093 4.120 0.000 0.000 0.314 4265 V C -0.406 175.681 176.094 -0.011 0.000 1.117 4265 V CA -0.591 61.708 62.300 -0.002 0.000 1.014 4265 V CB 1.673 33.499 31.823 0.006 0.000 1.057 4265 V HN 0.875 nan 8.190 nan 0.000 0.438 4266 T N 3.608 118.159 114.554 -0.006 0.000 2.848 4266 T HA 0.548 4.898 4.350 0.000 0.000 0.285 4266 T C -0.594 174.107 174.700 0.002 0.000 0.995 4266 T CA -0.230 61.861 62.100 -0.016 0.000 0.970 4266 T CB 1.431 70.273 68.868 -0.043 0.000 0.976 4266 T HN 0.949 nan 8.240 nan 0.000 0.441 4267 M N 4.595 124.194 119.600 -0.003 0.000 2.066 4267 M HA 0.500 4.980 4.480 0.000 0.000 0.340 4267 M C -1.308 174.996 176.300 0.006 0.000 1.053 4267 M CA -0.796 54.508 55.300 0.007 0.000 0.983 4267 M CB 0.396 32.999 32.600 0.005 0.000 1.520 4267 M HN 0.524 nan 8.290 nan 0.000 0.428 4268 L N 6.963 128.200 121.223 0.023 0.000 2.261 4268 L HA 0.472 4.812 4.340 0.000 0.000 0.289 4268 L C -0.992 175.895 176.870 0.027 0.000 1.059 4268 L CA -0.386 54.471 54.840 0.028 0.000 0.816 4268 L CB 0.508 42.607 42.059 0.068 0.000 1.191 4268 L HN 0.743 nan 8.230 nan 0.000 0.431 4269 I N 5.647 126.227 120.570 0.016 0.000 2.325 4269 I HA 0.324 4.494 4.170 0.000 0.000 0.291 4269 I C 0.191 176.318 176.117 0.016 0.000 1.019 4269 I CA -0.301 61.008 61.300 0.015 0.000 1.302 4269 I CB 0.882 38.887 38.000 0.008 0.000 1.401 4269 I HN 0.588 nan 8.210 nan 0.000 0.485 4270 R N 3.953 124.464 120.500 0.019 0.000 2.873 4270 R HA 0.899 5.239 4.340 0.000 0.000 0.264 4270 R C -0.322 175.987 176.300 0.015 0.000 1.026 4270 R CA -0.991 55.120 56.100 0.018 0.000 1.002 4270 R CB 2.242 32.556 30.300 0.022 0.000 1.174 4270 R HN 0.828 nan 8.270 nan 0.000 0.488 4271 G N -0.730 108.079 108.800 0.014 0.000 2.340 4271 G HA2 0.036 3.996 3.960 0.000 0.000 0.298 4271 G HA3 0.036 3.996 3.960 0.000 0.000 0.298 4271 G C 0.002 174.910 174.900 0.014 0.000 1.498 4271 G CA -0.680 44.429 45.100 0.015 0.000 0.847 4271 G HN 0.400 nan 8.290 nan 0.000 0.594 4272 T N 0.365 114.929 114.554 0.017 0.000 2.915 4272 T HA 0.180 4.530 4.350 0.000 0.000 0.269 4272 T C 0.904 175.615 174.700 0.019 0.000 1.071 4272 T CA 2.005 64.115 62.100 0.018 0.000 1.132 4272 T CB -0.148 68.733 68.868 0.021 0.000 0.878 4272 T HN 0.666 nan 8.240 nan 0.000 0.479 4273 T N -0.049 114.518 114.554 0.022 0.000 2.894 4273 T HA 0.298 4.648 4.350 0.000 0.000 0.309 4273 T C 0.614 175.311 174.700 -0.006 0.000 1.208 4273 T CA -0.739 61.372 62.100 0.018 0.000 1.016 4273 T CB 2.680 71.583 68.868 0.059 0.000 1.192 4273 T HN -0.082 nan 8.240 nan 0.000 0.491 4274 E N 0.749 120.908 120.200 -0.069 0.000 2.070 4274 E HA -0.224 4.126 4.350 0.000 0.000 0.197 4274 E C 1.632 178.149 176.600 -0.138 0.000 1.004 4274 E CA 1.943 58.259 56.400 -0.140 0.000 0.805 4274 E CB -0.127 29.427 29.700 -0.243 0.000 0.744 4274 E HN 0.630 nan 8.360 nan 0.000 0.451 4275 H N -0.804 118.269 119.070 0.005 0.000 2.456 4275 H HA -0.048 4.508 4.556 0.000 0.000 0.296 4275 H C 2.129 177.460 175.328 0.005 0.000 1.079 4275 H CA 1.408 57.459 56.048 0.004 0.000 1.322 4275 H CB -0.081 29.683 29.762 0.004 0.000 1.388 4275 H HN 0.134 nan 8.280 nan 0.000 0.538 4276 V N 1.942 121.922 119.914 0.110 0.000 2.346 4276 V HA -0.186 3.934 4.120 0.000 0.000 0.244 4276 V C 2.664 178.782 176.094 0.040 0.000 1.037 4276 V CA 1.594 63.933 62.300 0.066 0.000 1.029 4276 V CB -0.483 31.370 31.823 0.049 0.000 0.663 4276 V HN 0.404 nan 8.190 nan 0.000 0.454 4277 I N -1.652 118.932 120.570 0.023 0.000 2.830 4277 I HA -0.088 4.083 4.170 0.000 0.000 0.263 4277 I C 2.077 178.200 176.117 0.010 0.000 1.230 4277 I CA 1.426 62.733 61.300 0.012 0.000 1.480 4277 I CB -0.543 37.457 38.000 0.001 0.000 1.095 4277 I HN 0.307 nan 8.210 nan 0.000 0.455 4278 E N 1.373 121.582 120.200 0.015 0.000 2.072 4278 E HA -0.194 4.157 4.350 0.000 0.000 0.190 4278 E C 2.093 178.711 176.600 0.030 0.000 0.982 4278 E CA 0.926 57.338 56.400 0.020 0.000 0.803 4278 E CB -0.115 29.603 29.700 0.031 0.000 0.755 4278 E HN 0.497 nan 8.360 nan 0.000 0.453 4279 E N 1.049 121.273 120.200 0.041 0.000 2.153 4279 E HA -0.150 4.200 4.350 0.000 0.000 0.194 4279 E C 2.059 178.675 176.600 0.026 0.000 0.988 4279 E CA 0.827 57.248 56.400 0.035 0.000 0.811 4279 E CB 0.214 29.938 29.700 0.039 0.000 0.746 4279 E HN 0.088 nan 8.360 nan 0.000 0.466 4280 V N 1.236 121.164 119.914 0.023 0.000 2.379 4280 V HA -0.170 3.951 4.120 0.000 0.000 0.245 4280 V C 2.626 178.728 176.094 0.014 0.000 1.044 4280 V CA 1.496 63.807 62.300 0.018 0.000 1.036 4280 V CB -0.807 31.026 31.823 0.017 0.000 0.664 4280 V HN 0.333 nan 8.190 nan 0.000 0.453 4281 A N 0.589 123.416 122.820 0.012 0.000 1.940 4281 A HA -0.278 4.042 4.320 0.000 0.000 0.219 4281 A C 2.309 179.899 177.584 0.009 0.000 1.176 4281 A CA 2.331 54.373 52.037 0.008 0.000 0.631 4281 A CB -0.499 18.503 19.000 0.004 0.000 0.814 4281 A HN 0.463 nan 8.150 nan 0.000 0.446 4282 R N 0.054 120.561 120.500 0.012 0.000 2.090 4282 R HA 0.095 4.435 4.340 0.000 0.000 0.228 4282 R C 2.139 178.447 176.300 0.013 0.000 1.110 4282 R CA 1.757 57.864 56.100 0.012 0.000 0.973 4282 R CB -0.944 29.365 30.300 0.015 0.000 0.869 4282 R HN 0.361 nan 8.270 nan 0.000 0.440 4283 A N 0.307 123.136 122.820 0.015 0.000 1.883 4283 A HA -0.143 4.177 4.320 0.000 0.000 0.217 4283 A C 2.188 179.780 177.584 0.013 0.000 1.186 4283 A CA 2.100 54.147 52.037 0.016 0.000 0.624 4283 A CB -0.984 18.027 19.000 0.018 0.000 0.822 4283 A HN 0.327 nan 8.150 nan 0.000 0.444 4284 V N -2.312 117.608 119.914 0.011 0.000 3.041 4284 V HA -0.077 4.044 4.120 0.000 0.000 0.260 4284 V C 1.852 177.950 176.094 0.007 0.000 1.105 4284 V CA 2.181 64.486 62.300 0.009 0.000 1.125 4284 V CB -0.666 31.161 31.823 0.007 0.000 0.730 4284 V HN 0.422 nan 8.190 nan 0.000 0.479 4285 D N 1.356 121.760 120.400 0.007 0.000 2.123 4285 D HA -0.196 4.444 4.640 0.000 0.000 0.196 4285 D C 1.815 178.119 176.300 0.006 0.000 0.992 4285 D CA 1.908 55.911 54.000 0.005 0.000 0.833 4285 D CB -0.166 40.637 40.800 0.005 0.000 0.954 4285 D HN 0.554 nan 8.370 nan 0.000 0.455 4286 D N -0.486 119.919 120.400 0.008 0.000 2.183 4286 D HA 0.017 4.657 4.640 0.000 0.000 0.205 4286 D C 1.952 178.258 176.300 0.009 0.000 0.962 4286 D CA 0.969 54.974 54.000 0.009 0.000 0.849 4286 D CB -0.184 40.623 40.800 0.011 0.000 0.978 4286 D HN 0.245 nan 8.370 nan 0.000 0.488 4287 A N 1.062 123.888 122.820 0.010 0.000 1.877 4287 A HA -0.135 4.185 4.320 0.000 0.000 0.216 4287 A C 2.385 179.973 177.584 0.007 0.000 1.186 4287 A CA 1.182 53.224 52.037 0.009 0.000 0.620 4287 A CB -0.880 18.126 19.000 0.009 0.000 0.822 4287 A HN 0.169 nan 8.150 nan 0.000 0.443 4288 V N -0.059 119.858 119.914 0.006 0.000 2.759 4288 V HA -0.060 4.060 4.120 0.000 0.000 0.256 4288 V C 2.316 178.412 176.094 0.004 0.000 1.080 4288 V CA 2.060 64.362 62.300 0.004 0.000 1.101 4288 V CB -0.652 31.173 31.823 0.003 0.000 0.698 4288 V HN 0.571 nan 8.190 nan 0.000 0.477 4289 G N -0.117 108.686 108.800 0.005 0.000 2.394 4289 G HA2 -0.179 3.782 3.960 0.000 0.000 0.214 4289 G HA3 -0.179 3.782 3.960 0.000 0.000 0.214 4289 G C 1.627 176.530 174.900 0.006 0.000 1.176 4289 G CA 1.365 46.468 45.100 0.005 0.000 0.786 4289 G HN 0.670 nan 8.290 nan 0.000 0.533 4290 V N -1.276 118.642 119.914 0.007 0.000 2.871 4290 V HA 0.022 4.142 4.120 0.000 0.000 0.256 4290 V C 2.585 178.683 176.094 0.007 0.000 1.082 4290 V CA 1.151 63.456 62.300 0.008 0.000 1.105 4290 V CB -0.307 31.522 31.823 0.009 0.000 0.713 4290 V HN 0.118 nan 8.190 nan 0.000 0.473 4291 V N 2.014 121.932 119.914 0.006 0.000 2.379 4291 V HA 0.002 4.122 4.120 0.000 0.000 0.245 4291 V C 2.904 179.001 176.094 0.005 0.000 1.044 4291 V CA 2.117 64.420 62.300 0.005 0.000 1.036 4291 V CB -1.270 30.555 31.823 0.005 0.000 0.664 4291 V HN 0.604 nan 8.190 nan 0.000 0.453 4292 G N -1.067 107.736 108.800 0.005 0.000 2.418 4292 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 4292 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 4292 G C 1.731 176.634 174.900 0.005 0.000 1.158 4292 G CA 1.345 46.448 45.100 0.004 0.000 0.771 4292 G HN 0.529 nan 8.290 nan 0.000 0.545 4293 C N 0.518 119.822 119.300 0.006 0.000 2.429 4293 C HA -0.006 4.455 4.460 0.000 0.000 0.277 4293 C C 3.218 178.212 174.990 0.007 0.000 1.262 4293 C CA 1.495 60.517 59.018 0.006 0.000 1.733 4293 C CB -0.982 26.762 27.740 0.007 0.000 2.010 4293 C HN 0.430 nan 8.230 nan 0.000 0.483 4294 T N 1.188 115.746 114.554 0.006 0.000 2.867 4294 T HA -0.045 4.305 4.350 0.000 0.000 0.268 4294 T C 1.571 176.274 174.700 0.006 0.000 1.057 4294 T CA 1.169 63.273 62.100 0.006 0.000 1.136 4294 T CB -0.225 68.647 68.868 0.006 0.000 0.874 4294 T HN 0.507 nan 8.240 nan 0.000 0.466 4295 I N 0.625 121.198 120.570 0.005 0.000 2.406 4295 I HA -0.060 4.110 4.170 0.000 0.000 0.249 4295 I C 2.502 178.621 176.117 0.004 0.000 1.122 4295 I CA 1.196 62.499 61.300 0.004 0.000 1.431 4295 I CB -0.211 37.791 38.000 0.004 0.000 1.087 4295 I HN 0.262 nan 8.210 nan 0.000 0.424 4296 E N -0.223 119.980 120.200 0.005 0.000 2.230 4296 E HA -0.113 4.237 4.350 0.000 0.000 0.192 4296 E C 0.259 176.862 176.600 0.006 0.000 0.987 4296 E CA 0.508 56.910 56.400 0.005 0.000 0.841 4296 E CB 0.259 29.962 29.700 0.005 0.000 0.783 4296 E HN 0.197 nan 8.360 nan 0.000 0.481 4297 D N -0.639 119.765 120.400 0.006 0.000 2.473 4297 D HA 0.136 4.777 4.640 0.000 0.000 0.253 4297 D C 0.085 176.390 176.300 0.007 0.000 1.233 4297 D CA -0.493 53.512 54.000 0.007 0.000 0.908 4297 D CB 1.363 42.168 40.800 0.009 0.000 1.170 4297 D HN 0.029 nan 8.370 nan 0.000 0.558 4298 G N 3.411 112.215 108.800 0.007 0.000 3.327 4298 G HA2 0.024 3.984 3.960 0.000 0.000 0.240 4298 G HA3 0.024 3.984 3.960 0.000 0.000 0.240 4298 G C 0.470 175.375 174.900 0.008 0.000 1.222 4298 G CA -0.257 44.847 45.100 0.007 0.000 0.871 4298 G HN 0.168 nan 8.290 nan 0.000 0.525 4299 R N 0.607 121.113 120.500 0.010 0.000 2.387 4299 R HA 0.561 4.901 4.340 0.000 0.000 0.314 4299 R C -0.146 176.161 176.300 0.012 0.000 0.958 4299 R CA -0.576 55.530 56.100 0.011 0.000 0.846 4299 R CB 1.511 31.819 30.300 0.013 0.000 1.147 4299 R HN 0.403 nan 8.270 nan 0.000 0.447 4300 I N -1.137 119.440 120.570 0.012 0.000 3.042 4300 I HA 0.800 4.970 4.170 0.000 0.000 0.310 4300 I C -0.153 175.973 176.117 0.016 0.000 1.117 4300 I CA -1.323 59.985 61.300 0.013 0.000 1.003 4300 I CB 2.450 40.457 38.000 0.012 0.000 1.228 4300 I HN 0.291 nan 8.210 nan 0.000 0.443 4301 V N -0.306 119.619 119.914 0.017 0.000 3.130 4301 V HA 0.690 4.810 4.120 0.000 0.000 0.310 4301 V C 0.110 176.217 176.094 0.022 0.000 1.158 4301 V CA -0.532 61.781 62.300 0.021 0.000 1.029 4301 V CB 1.240 33.077 31.823 0.023 0.000 1.057 4301 V HN 1.040 nan 8.190 nan 0.000 0.436 4302 S N 1.294 117.011 115.700 0.027 0.000 2.562 4302 S HA 0.654 5.124 4.470 0.000 0.000 0.281 4302 S C 0.484 175.104 174.600 0.032 0.000 1.333 4302 S CA 0.194 58.412 58.200 0.031 0.000 1.052 4302 S CB 0.727 63.949 63.200 0.037 0.000 0.884 4302 S HN 1.836 nan 8.310 nan 0.000 0.506 4303 G N 0.354 109.173 108.800 0.032 0.000 2.641 4303 G HA2 0.571 4.531 3.960 0.000 0.000 0.239 4303 G HA3 0.571 4.531 3.960 0.000 0.000 0.239 4303 G C 0.843 175.763 174.900 0.034 0.000 1.402 4303 G CA -0.594 44.524 45.100 0.030 0.000 1.046 4303 G HN 2.041 nan 8.290 nan 0.000 0.565 4304 G N -2.112 106.706 108.800 0.031 0.000 2.160 4304 G HA2 0.252 4.212 3.960 0.000 0.000 0.251 4304 G HA3 0.252 4.212 3.960 0.000 0.000 0.251 4304 G C 1.439 176.344 174.900 0.009 0.000 1.008 4304 G CA 1.103 46.219 45.100 0.028 0.000 0.724 4304 G HN 2.495 nan 8.290 nan 0.000 0.514 4305 G N -1.321 107.475 108.800 -0.006 0.000 2.159 4305 G HA2 -0.111 3.849 3.960 0.000 0.000 0.256 4305 G HA3 -0.111 3.849 3.960 0.000 0.000 0.256 4305 G C 1.511 176.385 174.900 -0.045 0.000 0.977 4305 G CA 1.698 46.778 45.100 -0.034 0.000 0.652 4305 G HN 2.012 nan 8.290 nan 0.000 0.531 4306 S N 0.045 115.748 115.700 0.005 0.000 2.370 4306 S HA -0.164 4.306 4.470 0.000 0.000 0.226 4306 S C 2.778 177.389 174.600 0.018 0.000 1.033 4306 S CA 2.761 60.994 58.200 0.055 0.000 1.011 4306 S CB -0.547 62.726 63.200 0.123 0.000 0.852 4306 S HN 1.394 nan 8.310 nan 0.000 0.457 4307 T N -0.430 114.127 114.554 0.006 0.000 2.668 4307 T HA -0.030 4.320 4.350 0.000 0.000 0.262 4307 T C 1.632 176.301 174.700 -0.052 0.000 1.045 4307 T CA 1.512 63.612 62.100 -0.000 0.000 1.152 4307 T CB -0.906 67.964 68.868 0.003 0.000 0.864 4307 T HN 0.335 nan 8.240 nan 0.000 0.419 4308 E N 0.920 121.075 120.200 -0.075 0.000 2.171 4308 E HA -0.054 4.296 4.350 0.000 0.000 0.197 4308 E C 2.271 178.779 176.600 -0.153 0.000 0.997 4308 E CA 0.859 57.194 56.400 -0.108 0.000 0.810 4308 E CB -0.770 28.863 29.700 -0.111 0.000 0.738 4308 E HN 0.449 nan 8.360 nan 0.000 0.467 4309 V N 0.379 120.159 119.914 -0.223 0.000 2.453 4309 V HA -0.180 3.940 4.120 0.000 0.000 0.247 4309 V C 2.233 178.089 176.094 -0.396 0.000 1.048 4309 V CA 1.688 63.772 62.300 -0.361 0.000 1.049 4309 V CB -0.364 31.119 31.823 -0.566 0.000 0.672 4309 V HN 0.198 nan 8.190 nan 0.000 0.457 4310 E N 0.714 120.721 120.200 -0.322 0.000 2.110 4310 E HA -0.177 4.173 4.350 0.000 0.000 0.193 4310 E C 2.012 178.583 176.600 -0.050 0.000 0.988 4310 E CA 1.476 57.866 56.400 -0.018 0.000 0.804 4310 E CB -0.392 29.395 29.700 0.145 0.000 0.745 4310 E HN 0.553 nan 8.360 nan 0.000 0.458 4311 L N -0.119 121.062 121.223 -0.070 0.000 2.056 4311 L HA -0.129 4.211 4.340 0.000 0.000 0.207 4311 L C 2.623 179.444 176.870 -0.082 0.000 1.078 4311 L CA 1.296 56.100 54.840 -0.061 0.000 0.749 4311 L CB -0.647 41.396 42.059 -0.027 0.000 0.901 4311 L HN 0.175 nan 8.230 nan 0.000 0.433 4312 S N -0.300 115.341 115.700 -0.099 0.000 2.370 4312 S HA -0.217 4.253 4.470 0.000 0.000 0.226 4312 S C 2.132 176.681 174.600 -0.086 0.000 1.033 4312 S CA 1.316 59.462 58.200 -0.090 0.000 1.011 4312 S CB -0.016 63.120 63.200 -0.107 0.000 0.852 4312 S HN 0.213 nan 8.310 nan 0.000 0.457 4313 M N 0.985 120.531 119.600 -0.091 0.000 2.067 4313 M HA 0.013 4.494 4.480 0.000 0.000 0.260 4313 M C 2.162 178.387 176.300 -0.124 0.000 1.069 4313 M CA 1.495 56.754 55.300 -0.068 0.000 1.117 4313 M CB -1.117 31.476 32.600 -0.011 0.000 1.334 4313 M HN 0.240 nan 8.290 nan 0.000 0.407 4314 K N 0.329 120.608 120.400 -0.202 0.000 2.116 4314 K HA 0.085 4.405 4.320 0.000 0.000 0.203 4314 K C 2.075 178.218 176.600 -0.761 0.000 1.052 4314 K CA 0.866 56.884 56.287 -0.449 0.000 0.952 4314 K CB -0.439 31.794 32.500 -0.446 0.000 0.729 4314 K HN 0.375 nan 8.250 nan 0.000 0.446 4315 L N 0.292 121.261 121.223 -0.423 0.000 2.313 4315 L HA -0.027 4.314 4.340 0.000 0.000 0.214 4315 L C 2.405 179.247 176.870 -0.046 0.000 1.119 4315 L CA 0.618 55.331 54.840 -0.211 0.000 0.809 4315 L CB -0.205 41.857 42.059 0.004 0.000 0.933 4315 L HN 0.097 nan 8.230 nan 0.000 0.449 4316 R N 0.196 120.657 120.500 -0.065 0.000 2.092 4316 R HA -0.138 4.202 4.340 0.000 0.000 0.231 4316 R C 2.067 178.380 176.300 0.022 0.000 1.119 4316 R CA 1.252 57.349 56.100 -0.005 0.000 0.970 4316 R CB -0.120 30.171 30.300 -0.014 0.000 0.864 4316 R HN 0.427 nan 8.270 nan 0.000 0.440 4317 E N -0.469 119.724 120.200 -0.012 0.000 2.107 4317 E HA -0.159 4.192 4.350 0.000 0.000 0.191 4317 E C 1.621 178.354 176.600 0.222 0.000 0.982 4317 E CA 0.845 57.287 56.400 0.071 0.000 0.809 4317 E CB 0.013 29.741 29.700 0.046 0.000 0.756 4317 E HN 0.323 nan 8.360 nan 0.000 0.459 4318 Y N 0.619 120.935 120.300 0.028 0.000 2.200 4318 Y HA -0.103 4.447 4.550 0.000 0.000 0.290 4318 Y C 2.416 178.331 175.900 0.024 0.000 1.137 4318 Y CA 0.626 58.740 58.100 0.024 0.000 1.163 4318 Y CB -1.136 37.339 38.460 0.025 0.000 0.988 4318 Y HN 0.030 nan 8.280 nan 0.000 0.518 4319 A N 0.279 123.218 122.820 0.199 0.000 1.908 4319 A HA -0.173 4.147 4.320 0.000 0.000 0.218 4319 A C 2.182 179.819 177.584 0.089 0.000 1.181 4319 A CA 1.733 53.843 52.037 0.121 0.000 0.627 4319 A CB -0.444 18.616 19.000 0.100 0.000 0.818 4319 A HN 0.328 nan 8.150 nan 0.000 0.445 4320 E N -0.504 119.749 120.200 0.088 0.000 2.110 4320 E HA -0.129 4.222 4.350 0.000 0.000 0.193 4320 E C 2.154 178.789 176.600 0.059 0.000 0.988 4320 E CA 1.159 57.597 56.400 0.065 0.000 0.804 4320 E CB -0.646 29.090 29.700 0.060 0.000 0.745 4320 E HN 0.600 nan 8.360 nan 0.000 0.458 4321 G N 1.060 109.905 108.800 0.074 0.000 2.403 4321 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 4321 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 4321 G C 1.757 176.674 174.900 0.027 0.000 1.154 4321 G CA 0.307 45.434 45.100 0.046 0.000 0.784 4321 G HN 0.156 nan 8.290 nan 0.000 0.538 4322 I N -0.114 120.479 120.570 0.037 0.000 2.202 4322 I HA -0.030 4.140 4.170 0.000 0.000 0.242 4322 I C 1.753 177.882 176.117 0.021 0.000 1.091 4322 I CA 0.825 62.139 61.300 0.023 0.000 1.368 4322 I CB -0.308 37.713 38.000 0.036 0.000 1.058 4322 I HN 0.321 nan 8.210 nan 0.000 0.410 4323 S N -1.180 114.538 115.700 0.030 0.000 3.633 4323 S HA -0.130 4.341 4.470 0.000 0.000 0.637 4323 S C 0.508 175.120 174.600 0.020 0.000 2.289 4323 S CA 0.834 59.049 58.200 0.025 0.000 2.476 4323 S CB -1.398 61.813 63.200 0.018 0.000 0.330 4323 S HN 1.409 nan 8.310 nan 0.000 1.787 4324 G N 0.756 109.566 108.800 0.016 0.000 2.552 4324 G HA2 -0.298 3.662 3.960 0.000 0.000 0.265 4324 G HA3 -0.298 3.662 3.960 0.000 0.000 0.265 4324 G C 0.321 175.231 174.900 0.016 0.000 1.234 4324 G CA 0.972 46.079 45.100 0.012 0.000 0.944 4324 G HN 1.112 nan 8.290 nan 0.000 0.568 4325 R N 0.501 121.009 120.500 0.013 0.000 2.210 4325 R HA 0.146 4.487 4.340 0.000 0.000 0.203 4325 R C 2.488 178.800 176.300 0.020 0.000 1.010 4325 R CA 1.101 57.211 56.100 0.017 0.000 1.008 4325 R CB -0.064 30.244 30.300 0.013 0.000 0.923 4325 R HN 0.707 nan 8.270 nan 0.000 0.469 4326 E N 1.192 121.402 120.200 0.017 0.000 2.160 4326 E HA -0.260 4.090 4.350 0.000 0.000 0.195 4326 E C 1.869 178.494 176.600 0.043 0.000 0.991 4326 E CA 1.536 57.948 56.400 0.020 0.000 0.810 4326 E CB 0.045 29.751 29.700 0.011 0.000 0.742 4326 E HN 0.379 nan 8.360 nan 0.000 0.466 4327 Q N 0.812 120.639 119.800 0.045 0.000 2.291 4327 Q HA -0.112 4.229 4.340 0.000 0.000 0.205 4327 Q C 1.936 177.979 176.000 0.073 0.000 0.970 4327 Q CA 1.103 56.942 55.803 0.061 0.000 0.876 4327 Q CB -0.355 28.414 28.738 0.052 0.000 0.935 4327 Q HN 0.299 nan 8.270 nan 0.000 0.455 4328 L N -0.327 120.934 121.223 0.063 0.000 2.072 4328 L HA 0.029 4.369 4.340 0.000 0.000 0.205 4328 L C 2.285 179.217 176.870 0.102 0.000 1.079 4328 L CA 1.104 55.985 54.840 0.069 0.000 0.752 4328 L CB -0.478 41.610 42.059 0.048 0.000 0.906 4328 L HN 0.438 nan 8.230 nan 0.000 0.436 4329 A N -0.776 122.105 122.820 0.101 0.000 1.930 4329 A HA -0.150 4.170 4.320 0.000 0.000 0.217 4329 A C 2.142 179.913 177.584 0.310 0.000 1.175 4329 A CA 1.719 53.853 52.037 0.162 0.000 0.627 4329 A CB -0.753 18.267 19.000 0.034 0.000 0.815 4329 A HN 0.295 nan 8.150 nan 0.000 0.443 4330 V N -0.087 119.953 119.914 0.210 0.000 2.427 4330 V HA -0.194 3.926 4.120 0.000 0.000 0.248 4330 V C 2.637 178.859 176.094 0.214 0.000 1.051 4330 V CA 2.208 64.634 62.300 0.210 0.000 1.048 4330 V CB -0.784 31.120 31.823 0.135 0.000 0.666 4330 V HN 0.616 nan 8.190 nan 0.000 0.456 4331 R N 1.206 121.800 120.500 0.158 0.000 2.081 4331 R HA -0.069 4.271 4.340 0.000 0.000 0.235 4331 R C 2.150 178.521 176.300 0.119 0.000 1.131 4331 R CA 1.875 58.044 56.100 0.115 0.000 0.960 4331 R CB -0.911 29.438 30.300 0.081 0.000 0.856 4331 R HN 0.434 nan 8.270 nan 0.000 0.436 4332 A N -0.470 122.447 122.820 0.162 0.000 1.898 4332 A HA -0.122 4.198 4.320 0.000 0.000 0.216 4332 A C 2.163 179.826 177.584 0.133 0.000 1.181 4332 A CA 1.359 53.490 52.037 0.156 0.000 0.620 4332 A CB -0.840 18.291 19.000 0.218 0.000 0.819 4332 A HN 0.479 nan 8.150 nan 0.000 0.442 4333 F N 0.922 120.892 119.950 0.034 0.000 2.102 4333 F HA -0.062 4.465 4.527 0.000 0.000 0.298 4333 F C 2.546 178.281 175.800 -0.109 0.000 1.105 4333 F CA 1.390 59.292 58.000 -0.164 0.000 1.239 4333 F CB -0.375 38.492 39.000 -0.221 0.000 0.991 4333 F HN 0.246 nan 8.300 nan 0.000 0.474 4334 A N -0.114 122.784 122.820 0.130 0.000 1.902 4334 A HA -0.200 4.120 4.320 0.000 0.000 0.217 4334 A C 1.895 179.431 177.584 -0.081 0.000 1.181 4334 A CA 2.070 54.123 52.037 0.026 0.000 0.623 4334 A CB -0.967 18.076 19.000 0.071 0.000 0.818 4334 A HN 0.456 nan 8.150 nan 0.000 0.443 4335 D N -0.151 120.217 120.400 -0.053 0.000 2.183 4335 D HA 0.060 4.700 4.640 0.000 0.000 0.203 4335 D C 2.126 178.359 176.300 -0.113 0.000 0.969 4335 D CA 1.229 55.189 54.000 -0.066 0.000 0.842 4335 D CB -0.357 40.428 40.800 -0.026 0.000 0.957 4335 D HN 0.419 nan 8.370 nan 0.000 0.484 4336 A N 0.585 123.307 122.820 -0.163 0.000 2.019 4336 A HA -0.088 4.232 4.320 0.000 0.000 0.219 4336 A C 2.228 179.662 177.584 -0.250 0.000 1.164 4336 A CA 0.651 52.564 52.037 -0.207 0.000 0.644 4336 A CB -0.663 18.172 19.000 -0.274 0.000 0.805 4336 A HN 0.222 nan 8.150 nan 0.000 0.449 4337 L N -0.836 120.208 121.223 -0.300 0.000 2.265 4337 L HA -0.162 4.178 4.340 0.000 0.000 0.215 4337 L C 2.392 179.159 176.870 -0.172 0.000 1.117 4337 L CA 1.399 56.081 54.840 -0.263 0.000 0.782 4337 L CB -0.414 41.488 42.059 -0.261 0.000 0.914 4337 L HN 0.534 nan 8.230 nan 0.000 0.441 4338 E N -0.001 120.112 120.200 -0.145 0.000 2.338 4338 E HA -0.199 4.151 4.350 0.000 0.000 0.197 4338 E C 2.218 178.760 176.600 -0.097 0.000 1.007 4338 E CA 0.495 56.828 56.400 -0.111 0.000 0.849 4338 E CB 0.155 29.799 29.700 -0.093 0.000 0.774 4338 E HN 0.276 nan 8.360 nan 0.000 0.506 4339 V N 0.854 120.706 119.914 -0.103 0.000 2.568 4339 V HA -0.247 3.873 4.120 0.000 0.000 0.253 4339 V C 1.839 177.887 176.094 -0.078 0.000 1.072 4339 V CA 1.198 63.447 62.300 -0.086 0.000 1.084 4339 V CB -0.277 31.492 31.823 -0.090 0.000 0.676 4339 V HN 0.331 nan 8.190 nan 0.000 0.469 4340 I N 1.142 121.660 120.570 -0.086 0.000 2.162 4340 I HA -0.019 4.151 4.170 0.000 0.000 0.238 4340 I C 0.169 176.247 176.117 -0.065 0.000 1.076 4340 I CA 1.573 62.828 61.300 -0.074 0.000 1.353 4340 I CB -2.838 35.116 38.000 -0.077 0.000 1.063 4340 I HN 0.334 nan 8.210 nan 0.000 0.408 4341 P HA -0.162 nan 4.420 nan 0.000 0.220 4341 P C 1.739 179.007 177.300 -0.054 0.000 1.148 4341 P CA 1.469 64.534 63.100 -0.059 0.000 0.803 4341 P CB -0.132 31.529 31.700 -0.066 0.000 0.782 4342 R N -0.183 120.283 120.500 -0.057 0.000 2.062 4342 R HA -0.046 4.295 4.340 0.000 0.000 0.229 4342 R C 2.073 178.344 176.300 -0.048 0.000 1.128 4342 R CA 1.893 57.963 56.100 -0.050 0.000 0.960 4342 R CB -0.731 29.538 30.300 -0.051 0.000 0.855 4342 R HN 0.043 nan 8.270 nan 0.000 0.432 4343 T N 1.286 115.809 114.554 -0.052 0.000 2.904 4343 T HA -0.002 4.348 4.350 0.000 0.000 0.267 4343 T C 1.727 176.395 174.700 -0.053 0.000 1.059 4343 T CA 0.791 62.861 62.100 -0.050 0.000 1.137 4343 T CB -0.003 68.835 68.868 -0.050 0.000 0.879 4343 T HN 0.146 nan 8.240 nan 0.000 0.467 4344 L N 0.815 122.004 121.223 -0.056 0.000 2.046 4344 L HA -0.084 4.256 4.340 0.000 0.000 0.208 4344 L C 3.021 179.851 176.870 -0.066 0.000 1.077 4344 L CA 1.271 56.074 54.840 -0.063 0.000 0.747 4344 L CB -0.616 41.407 42.059 -0.059 0.000 0.896 4344 L HN 0.236 nan 8.230 nan 0.000 0.432 4345 A N -0.457 122.330 122.820 -0.055 0.000 1.930 4345 A HA -0.246 4.074 4.320 0.000 0.000 0.217 4345 A C 2.260 179.815 177.584 -0.049 0.000 1.175 4345 A CA 1.720 53.727 52.037 -0.050 0.000 0.627 4345 A CB -0.475 18.501 19.000 -0.040 0.000 0.815 4345 A HN 0.476 nan 8.150 nan 0.000 0.443 4346 E N 0.043 120.215 120.200 -0.046 0.000 2.058 4346 E HA -0.239 4.112 4.350 0.000 0.000 0.194 4346 E C 1.603 178.175 176.600 -0.047 0.000 0.997 4346 E CA 1.457 57.831 56.400 -0.042 0.000 0.801 4346 E CB -0.155 29.521 29.700 -0.040 0.000 0.746 4346 E HN 0.555 nan 8.360 nan 0.000 0.450 4347 N N 0.268 118.936 118.700 -0.054 0.000 2.244 4347 N HA -0.103 4.637 4.740 0.000 0.000 0.183 4347 N C 1.437 176.904 175.510 -0.072 0.000 1.016 4347 N CA 1.126 54.140 53.050 -0.060 0.000 0.866 4347 N CB -0.285 38.163 38.487 -0.065 0.000 0.980 4347 N HN 0.224 nan 8.380 nan 0.000 0.430 4348 A N 0.010 122.781 122.820 -0.081 0.000 2.119 4348 A HA 0.284 4.604 4.320 0.000 0.000 0.217 4348 A C 1.477 179.022 177.584 -0.065 0.000 1.153 4348 A CA 1.108 53.090 52.037 -0.093 0.000 0.692 4348 A CB -0.455 18.483 19.000 -0.104 0.000 0.799 4348 A HN 0.333 nan 8.150 nan 0.000 0.458 4349 G N -1.417 107.352 108.800 -0.051 0.000 2.149 4349 G HA2 -0.181 3.779 3.960 0.000 0.000 0.235 4349 G HA3 -0.181 3.779 3.960 0.000 0.000 0.235 4349 G C -0.063 174.818 174.900 -0.031 0.000 1.018 4349 G CA 0.272 45.350 45.100 -0.037 0.000 0.728 4349 G HN 0.447 nan 8.290 nan 0.000 0.508 4350 L N -0.062 121.141 121.223 -0.034 0.000 2.375 4350 L HA 0.518 4.858 4.340 0.000 0.000 0.268 4350 L C 0.271 177.126 176.870 -0.024 0.000 1.058 4350 L CA -1.069 53.754 54.840 -0.027 0.000 0.803 4350 L CB 1.054 43.095 42.059 -0.030 0.000 1.212 4350 L HN 0.081 nan 8.230 nan 0.000 0.451 4351 D N 1.120 121.508 120.400 -0.019 0.000 2.359 4351 D HA 0.189 4.829 4.640 0.000 0.000 0.250 4351 D C 0.808 177.096 176.300 -0.019 0.000 1.264 4351 D CA -0.011 53.978 54.000 -0.018 0.000 0.911 4351 D CB 1.637 42.429 40.800 -0.014 0.000 1.056 4351 D HN 0.599 nan 8.370 nan 0.000 0.499 4352 A N 4.635 127.441 122.820 -0.022 0.000 1.986 4352 A HA -0.188 4.132 4.320 0.000 0.000 0.220 4352 A C 2.255 179.825 177.584 -0.022 0.000 1.171 4352 A CA 0.965 52.986 52.037 -0.025 0.000 0.640 4352 A CB -0.391 18.592 19.000 -0.029 0.000 0.811 4352 A HN 0.747 nan 8.150 nan 0.000 0.451 4353 I N -0.923 119.636 120.570 -0.019 0.000 2.142 4353 I HA -0.253 3.917 4.170 0.000 0.000 0.240 4353 I C 2.583 178.692 176.117 -0.013 0.000 1.078 4353 I CA 1.837 63.127 61.300 -0.016 0.000 1.343 4353 I CB -0.350 37.642 38.000 -0.013 0.000 1.046 4353 I HN 0.523 nan 8.210 nan 0.000 0.405 4354 E N 1.229 121.422 120.200 -0.012 0.000 2.110 4354 E HA -0.222 4.128 4.350 0.000 0.000 0.193 4354 E C 2.297 178.892 176.600 -0.009 0.000 0.988 4354 E CA 1.194 57.589 56.400 -0.009 0.000 0.804 4354 E CB 0.196 29.892 29.700 -0.007 0.000 0.745 4354 E HN 0.309 nan 8.360 nan 0.000 0.458 4355 I N 0.753 121.315 120.570 -0.012 0.000 2.113 4355 I HA -0.242 3.928 4.170 0.000 0.000 0.238 4355 I C 2.393 178.502 176.117 -0.014 0.000 1.070 4355 I CA 0.872 62.165 61.300 -0.012 0.000 1.332 4355 I CB -1.086 36.903 38.000 -0.018 0.000 1.044 4355 I HN 0.257 nan 8.210 nan 0.000 0.402 4356 L N 0.124 121.335 121.223 -0.020 0.000 2.083 4356 L HA -0.141 4.200 4.340 0.000 0.000 0.209 4356 L C 2.545 179.404 176.870 -0.018 0.000 1.083 4356 L CA 1.279 56.104 54.840 -0.025 0.000 0.752 4356 L CB -1.001 41.040 42.059 -0.029 0.000 0.899 4356 L HN 0.003 nan 8.230 nan 0.000 0.433 4357 V N -0.907 119.000 119.914 -0.012 0.000 2.283 4357 V HA -0.236 3.884 4.120 0.000 0.000 0.243 4357 V C 2.401 178.495 176.094 0.001 0.000 1.039 4357 V CA 1.504 63.800 62.300 -0.006 0.000 1.016 4357 V CB -0.435 31.385 31.823 -0.005 0.000 0.650 4357 V HN 0.397 nan 8.190 nan 0.000 0.449 4358 K N -0.388 120.013 120.400 0.002 0.000 2.155 4358 K HA -0.053 4.267 4.320 0.000 0.000 0.203 4358 K C 2.015 178.624 176.600 0.016 0.000 1.052 4358 K CA 0.968 57.259 56.287 0.008 0.000 0.948 4358 K CB -0.144 32.359 32.500 0.006 0.000 0.728 4358 K HN 0.306 nan 8.250 nan 0.000 0.448 4359 V N 1.149 121.071 119.914 0.014 0.000 2.302 4359 V HA -0.179 3.942 4.120 0.000 0.000 0.243 4359 V C 2.372 178.494 176.094 0.047 0.000 1.036 4359 V CA 1.491 63.807 62.300 0.027 0.000 1.020 4359 V CB -0.404 31.424 31.823 0.008 0.000 0.657 4359 V HN 0.281 nan 8.190 nan 0.000 0.453 4360 R N 0.364 120.874 120.500 0.017 0.000 2.081 4360 R HA -0.171 4.170 4.340 0.000 0.000 0.235 4360 R C 2.258 178.592 176.300 0.057 0.000 1.131 4360 R CA 1.773 57.884 56.100 0.018 0.000 0.960 4360 R CB -0.447 29.843 30.300 -0.016 0.000 0.856 4360 R HN 0.479 nan 8.270 nan 0.000 0.436 4361 A N 0.629 123.471 122.820 0.037 0.000 1.898 4361 A HA -0.066 4.254 4.320 0.000 0.000 0.216 4361 A C 2.351 179.959 177.584 0.040 0.000 1.181 4361 A CA 1.596 53.653 52.037 0.033 0.000 0.620 4361 A CB -0.766 18.244 19.000 0.018 0.000 0.819 4361 A HN 0.538 nan 8.150 nan 0.000 0.442 4362 A N -1.197 121.650 122.820 0.044 0.000 1.969 4362 A HA -0.142 4.178 4.320 0.000 0.000 0.218 4362 A C 1.981 179.590 177.584 0.042 0.000 1.169 4362 A CA 2.014 54.072 52.037 0.036 0.000 0.635 4362 A CB -0.802 18.218 19.000 0.033 0.000 0.810 4362 A HN 0.777 nan 8.150 nan 0.000 0.445 4363 H N -0.276 118.789 119.070 -0.008 0.000 2.326 4363 H HA 0.082 4.638 4.556 0.001 0.000 0.301 4363 H C 2.208 177.530 175.328 -0.011 0.000 1.081 4363 H CA 1.879 57.921 56.048 -0.010 0.000 1.334 4363 H CB -0.148 29.606 29.762 -0.014 0.000 1.385 4363 H HN 0.390 nan 8.280 nan 0.000 0.504 4364 A N -0.715 122.171 122.820 0.111 0.000 1.933 4364 A HA -0.158 4.163 4.320 0.000 0.000 0.218 4364 A C 2.541 180.120 177.584 -0.009 0.000 1.175 4364 A CA 1.835 53.906 52.037 0.057 0.000 0.628 4364 A CB -0.957 18.081 19.000 0.064 0.000 0.814 4364 A HN 0.500 nan 8.150 nan 0.000 0.444 4365 S N -0.526 115.167 115.700 -0.011 0.000 2.356 4365 S HA -0.077 4.393 4.470 0.000 0.000 0.219 4365 S C 1.876 176.452 174.600 -0.040 0.000 1.036 4365 S CA 1.132 59.321 58.200 -0.018 0.000 0.965 4365 S CB -0.366 62.829 63.200 -0.007 0.000 0.864 4365 S HN 0.643 nan 8.310 nan 0.000 0.471 4366 N N 0.697 119.364 118.700 -0.055 0.000 2.368 4366 N HA 0.247 4.987 4.740 0.000 0.000 0.176 4366 N C 1.003 176.448 175.510 -0.108 0.000 1.021 4366 N CA 0.944 53.955 53.050 -0.065 0.000 0.888 4366 N CB 0.592 39.050 38.487 -0.048 0.000 0.995 4366 N HN 0.577 nan 8.380 nan 0.000 0.437 4367 G N 1.169 109.849 108.800 -0.200 0.000 2.373 4367 G HA2 -0.213 3.747 3.960 0.000 0.000 0.634 4367 G HA3 -0.213 3.747 3.960 0.000 0.000 0.634 4367 G C -0.019 174.595 174.900 -0.478 0.000 1.267 4367 G CA 0.061 44.987 45.100 -0.290 0.000 1.008 4367 G HN 0.283 nan 8.290 nan 0.000 0.497 4368 N N -0.648 117.835 118.700 -0.362 0.000 2.405 4368 N HA 0.063 4.803 4.740 0.000 0.000 0.175 4368 N C 1.251 176.739 175.510 -0.037 0.000 1.051 4368 N CA 1.261 54.193 53.050 -0.197 0.000 0.899 4368 N CB 0.146 38.636 38.487 0.005 0.000 1.000 4368 N HN 0.623 nan 8.380 nan 0.000 0.451 4369 K N -0.506 119.862 120.400 -0.054 0.000 2.414 4369 K HA 0.316 4.637 4.320 0.000 0.000 0.204 4369 K C -0.493 176.092 176.600 -0.025 0.000 1.026 4369 K CA -0.141 56.135 56.287 -0.020 0.000 1.108 4369 K CB 0.491 32.982 32.500 -0.014 0.000 0.855 4369 K HN 0.114 nan 8.250 nan 0.000 0.517 4370 C N 0.993 120.264 119.300 -0.048 0.000 2.887 4370 C HA 0.634 5.094 4.460 0.000 0.000 0.240 4370 C C 0.429 175.401 174.990 -0.030 0.000 1.872 4370 C CA -0.654 58.341 59.018 -0.038 0.000 1.626 4370 C CB -0.785 26.923 27.740 -0.054 0.000 3.115 4370 C HN 0.497 nan 8.230 nan 0.000 0.488 4371 A N -0.016 122.804 122.820 -0.000 0.000 5.519 4371 A HA 0.940 5.260 4.320 0.000 0.000 0.158 4371 A C 0.169 177.792 177.584 0.064 0.000 0.860 4371 A CA 0.418 52.479 52.037 0.040 0.000 1.134 4371 A CB -0.396 18.644 19.000 0.067 0.000 2.248 4371 A HN 1.915 nan 8.150 nan 0.000 1.056 4372 G N -1.911 106.944 108.800 0.092 0.000 2.814 4372 G HA2 0.361 4.321 3.960 0.000 0.000 0.677 4372 G HA3 0.361 4.321 3.960 0.000 0.000 0.677 4372 G C -0.684 174.243 174.900 0.045 0.000 1.429 4372 G CA 0.009 45.149 45.100 0.068 0.000 0.868 4372 G HN 2.091 nan 8.290 nan 0.000 0.553 4373 L N 0.418 121.659 121.223 0.031 0.000 2.289 4373 L HA 0.754 5.094 4.340 0.000 0.000 0.285 4373 L C 0.182 177.075 176.870 0.038 0.000 1.049 4373 L CA -0.969 53.885 54.840 0.023 0.000 0.804 4373 L CB 1.544 43.604 42.059 0.001 0.000 1.195 4373 L HN 0.738 nan 8.230 nan 0.000 0.428 4374 N N 3.024 121.753 118.700 0.049 0.000 2.546 4374 N HA 0.223 4.963 4.740 0.000 0.000 0.238 4374 N C 0.805 176.352 175.510 0.061 0.000 0.984 4374 N CA -0.219 52.886 53.050 0.092 0.000 0.935 4374 N CB 1.139 39.692 38.487 0.110 0.000 1.122 4374 N HN 0.530 nan 8.380 nan 0.000 0.510 4375 V N 1.525 121.439 119.914 0.000 0.000 2.970 4375 V HA -0.004 4.116 4.120 0.000 0.000 0.260 4375 V C 1.409 177.408 176.094 -0.159 0.000 1.100 4375 V CA 1.231 63.457 62.300 -0.122 0.000 1.122 4375 V CB -1.157 30.522 31.823 -0.239 0.000 0.721 4375 V HN 0.453 nan 8.190 nan 0.000 0.483 4376 F N 2.539 122.487 119.950 -0.004 0.000 2.259 4376 F HA -0.038 4.489 4.527 0.001 0.000 0.298 4376 F C 2.661 178.459 175.800 -0.003 0.000 1.088 4376 F CA 1.846 59.844 58.000 -0.003 0.000 1.358 4376 F CB -0.367 38.632 39.000 -0.002 0.000 1.040 4376 F HN 0.387 nan 8.300 nan 0.000 0.505 4377 T N -4.095 110.560 114.554 0.167 0.000 3.001 4377 T HA 0.377 4.727 4.350 0.000 0.000 0.251 4377 T C 1.476 176.203 174.700 0.046 0.000 1.040 4377 T CA 0.408 62.562 62.100 0.089 0.000 0.985 4377 T CB 0.320 69.232 68.868 0.074 0.000 1.011 4377 T HN 0.347 nan 8.240 nan 0.000 0.509 4378 G N 1.075 109.893 108.800 0.030 0.000 2.248 4378 G HA2 0.269 4.229 3.960 0.000 0.000 0.263 4378 G HA3 0.269 4.229 3.960 0.000 0.000 0.263 4378 G C 0.053 174.957 174.900 0.007 0.000 1.082 4378 G CA -0.227 44.874 45.100 0.003 0.000 0.863 4378 G HN 1.416 nan 8.290 nan 0.000 0.495 4379 A N -1.595 121.235 122.820 0.016 0.000 2.608 4379 A HA 0.875 5.195 4.320 0.000 0.000 0.292 4379 A C 0.021 177.618 177.584 0.021 0.000 1.066 4379 A CA 0.122 52.168 52.037 0.016 0.000 0.676 4379 A CB 1.480 20.491 19.000 0.018 0.000 1.277 4379 A HN 1.782 nan 8.150 nan 0.000 0.413 4380 V N 1.814 121.739 119.914 0.018 0.000 2.599 4380 V HA 0.400 4.520 4.120 0.000 0.000 0.300 4380 V C 0.008 176.118 176.094 0.026 0.000 1.034 4380 V CA 1.009 63.323 62.300 0.023 0.000 1.115 4380 V CB 0.450 32.285 31.823 0.021 0.000 0.934 4380 V HN 0.916 nan 8.190 nan 0.000 0.485 4381 E N 3.795 124.013 120.200 0.031 0.000 2.390 4381 E HA 0.376 4.726 4.350 0.000 0.000 0.242 4381 E C -1.448 175.168 176.600 0.026 0.000 0.907 4381 E CA -0.681 55.736 56.400 0.028 0.000 0.884 4381 E CB 0.855 30.576 29.700 0.036 0.000 1.788 4381 E HN 0.699 nan 8.360 nan 0.000 0.427 4382 D N 1.345 121.758 120.400 0.021 0.000 2.460 4382 D HA 0.182 4.822 4.640 0.000 0.000 0.232 4382 D C 0.811 177.123 176.300 0.021 0.000 1.079 4382 D CA -0.275 53.734 54.000 0.016 0.000 0.864 4382 D CB 0.693 41.497 40.800 0.007 0.000 1.048 4382 D HN 0.186 nan 8.370 nan 0.000 0.523 4383 M N 1.859 121.475 119.600 0.028 0.000 2.175 4383 M HA -0.120 4.360 4.480 0.000 0.000 0.264 4383 M C 2.305 178.617 176.300 0.020 0.000 1.063 4383 M CA 0.667 55.986 55.300 0.031 0.000 1.119 4383 M CB -1.126 31.498 32.600 0.040 0.000 1.377 4383 M HN 0.526 nan 8.290 nan 0.000 0.415 4384 C N 0.672 119.981 119.300 0.015 0.000 2.453 4384 C HA -0.157 4.303 4.460 0.000 0.000 0.277 4384 C C 2.700 177.692 174.990 0.003 0.000 1.262 4384 C CA 1.292 60.315 59.018 0.008 0.000 1.718 4384 C CB -0.892 26.850 27.740 0.004 0.000 2.031 4384 C HN 0.634 nan 8.230 nan 0.000 0.480 4385 E N 0.130 120.331 120.200 0.001 0.000 2.118 4385 E HA -0.197 4.153 4.350 0.000 0.000 0.195 4385 E C 1.340 177.937 176.600 -0.006 0.000 0.992 4385 E CA 1.296 57.695 56.400 -0.002 0.000 0.804 4385 E CB -0.182 29.517 29.700 -0.002 0.000 0.741 4385 E HN 0.659 nan 8.360 nan 0.000 0.458 4386 N N -0.458 118.239 118.700 -0.004 0.000 2.398 4386 N HA 0.013 4.753 4.740 0.000 0.000 0.188 4386 N C 0.681 176.181 175.510 -0.017 0.000 1.122 4386 N CA 0.889 53.931 53.050 -0.013 0.000 0.866 4386 N CB 1.022 39.503 38.487 -0.010 0.000 0.970 4386 N HN 0.322 nan 8.380 nan 0.000 0.462 4387 G N 0.617 109.413 108.800 -0.007 0.000 2.160 4387 G HA2 -0.259 3.701 3.960 0.000 0.000 0.251 4387 G HA3 -0.259 3.701 3.960 0.000 0.000 0.251 4387 G C -0.000 174.900 174.900 0.001 0.000 1.008 4387 G CA 0.016 45.113 45.100 -0.006 0.000 0.724 4387 G HN 0.191 nan 8.290 nan 0.000 0.514 4388 V N 1.387 121.308 119.914 0.011 0.000 2.276 4388 V HA 0.473 4.593 4.120 0.000 0.000 0.249 4388 V C 0.855 176.965 176.094 0.027 0.000 1.160 4388 V CA 0.173 62.489 62.300 0.027 0.000 1.042 4388 V CB 0.444 32.295 31.823 0.046 0.000 1.224 4388 V HN 1.041 nan 8.190 nan 0.000 0.496 4389 V N 1.524 121.451 119.914 0.021 0.000 2.962 4389 V HA 0.787 4.907 4.120 0.000 0.000 0.313 4389 V C -0.703 175.402 176.094 0.020 0.000 1.099 4389 V CA -0.876 61.435 62.300 0.020 0.000 0.971 4389 V CB 2.559 34.390 31.823 0.015 0.000 1.028 4389 V HN 0.629 nan 8.190 nan 0.000 0.430 4390 E N 2.293 122.504 120.200 0.018 0.000 2.293 4390 E HA 0.533 4.883 4.350 0.000 0.000 0.270 4390 E C -2.948 173.661 176.600 0.015 0.000 0.879 4390 E CA -2.245 54.165 56.400 0.017 0.000 0.756 4390 E CB 2.660 32.370 29.700 0.016 0.000 1.208 4390 E HN 0.572 nan 8.360 nan 0.000 0.428 4391 P HA -0.083 nan 4.420 nan 0.000 0.266 4391 P C 0.454 177.762 177.300 0.013 0.000 1.195 4391 P CA -0.091 63.016 63.100 0.012 0.000 0.768 4391 P CB 0.538 32.245 31.700 0.011 0.000 0.838 4392 L N 3.962 125.194 121.223 0.014 0.000 2.079 4392 L HA -0.168 4.172 4.340 0.000 0.000 0.210 4392 L C 2.282 179.161 176.870 0.016 0.000 1.081 4392 L CA 1.938 56.788 54.840 0.016 0.000 0.752 4392 L CB -0.844 41.225 42.059 0.017 0.000 0.896 4392 L HN 0.216 nan 8.230 nan 0.000 0.433 4393 R N -0.781 119.727 120.500 0.014 0.000 2.127 4393 R HA -0.127 4.214 4.340 0.000 0.000 0.238 4393 R C 2.010 178.318 176.300 0.013 0.000 1.134 4393 R CA 1.951 58.059 56.100 0.014 0.000 0.975 4393 R CB -1.010 29.297 30.300 0.012 0.000 0.865 4393 R HN 0.322 nan 8.270 nan 0.000 0.447 4394 V N 1.059 120.980 119.914 0.012 0.000 2.287 4394 V HA -0.262 3.858 4.120 0.000 0.000 0.248 4394 V C 2.140 178.240 176.094 0.010 0.000 1.053 4394 V CA 2.069 64.375 62.300 0.010 0.000 1.027 4394 V CB -0.407 31.422 31.823 0.009 0.000 0.646 4394 V HN 0.282 nan 8.190 nan 0.000 0.447 4395 K N 0.264 120.671 120.400 0.012 0.000 2.186 4395 K HA -0.034 4.286 4.320 0.000 0.000 0.202 4395 K C 2.268 178.881 176.600 0.021 0.000 1.052 4395 K CA 1.636 57.930 56.287 0.012 0.000 0.965 4395 K CB -0.685 31.823 32.500 0.013 0.000 0.746 4395 K HN 0.723 nan 8.250 nan 0.000 0.457 4396 T N -1.330 113.238 114.554 0.024 0.000 2.978 4396 T HA -0.081 4.270 4.350 0.000 0.000 0.262 4396 T C 2.018 176.735 174.700 0.028 0.000 1.063 4396 T CA 0.700 62.818 62.100 0.030 0.000 1.140 4396 T CB 0.086 68.970 68.868 0.026 0.000 0.886 4396 T HN -0.046 nan 8.240 nan 0.000 0.470 4397 Q N 1.898 121.711 119.800 0.022 0.000 2.083 4397 Q HA 0.266 4.606 4.340 0.000 0.000 0.198 4397 Q C 2.434 178.447 176.000 0.021 0.000 0.969 4397 Q CA 1.696 57.511 55.803 0.020 0.000 0.838 4397 Q CB -0.982 27.765 28.738 0.015 0.000 0.900 4397 Q HN 0.616 nan 8.270 nan 0.000 0.436 4398 A N 0.358 123.188 122.820 0.018 0.000 1.917 4398 A HA -0.191 4.130 4.320 0.000 0.000 0.219 4398 A C 2.121 179.721 177.584 0.027 0.000 1.182 4398 A CA 1.685 53.730 52.037 0.013 0.000 0.633 4398 A CB -0.807 18.193 19.000 0.001 0.000 0.819 4398 A HN 0.487 nan 8.150 nan 0.000 0.448 4399 I N -1.004 119.593 120.570 0.045 0.000 2.163 4399 I HA -0.255 3.915 4.170 0.000 0.000 0.240 4399 I C 2.847 179.008 176.117 0.074 0.000 1.081 4399 I CA 1.202 62.553 61.300 0.085 0.000 1.353 4399 I CB -0.399 37.661 38.000 0.100 0.000 1.054 4399 I HN 0.321 nan 8.210 nan 0.000 0.407 4400 Q N 0.550 120.380 119.800 0.050 0.000 2.002 4400 Q HA -0.178 4.163 4.340 0.000 0.000 0.204 4400 Q C 2.495 178.519 176.000 0.041 0.000 0.988 4400 Q CA 2.045 57.872 55.803 0.041 0.000 0.843 4400 Q CB -0.540 28.216 28.738 0.030 0.000 0.908 4400 Q HN 0.410 nan 8.270 nan 0.000 0.420 4401 S N 0.845 116.566 115.700 0.034 0.000 2.356 4401 S HA -0.130 4.340 4.470 0.000 0.000 0.223 4401 S C 1.974 176.596 174.600 0.037 0.000 1.032 4401 S CA 1.180 59.398 58.200 0.030 0.000 1.005 4401 S CB -0.309 62.904 63.200 0.022 0.000 0.867 4401 S HN 0.523 nan 8.310 nan 0.000 0.449 4402 A N 1.520 124.363 122.820 0.038 0.000 1.873 4402 A HA 0.140 4.460 4.320 0.000 0.000 0.215 4402 A C 2.357 179.983 177.584 0.070 0.000 1.186 4402 A CA 1.717 53.778 52.037 0.040 0.000 0.616 4402 A CB -1.126 17.886 19.000 0.020 0.000 0.823 4402 A HN 0.511 nan 8.150 nan 0.000 0.442 4403 A N -0.526 122.352 122.820 0.095 0.000 1.902 4403 A HA -0.127 4.193 4.320 0.000 0.000 0.217 4403 A C 1.941 179.588 177.584 0.106 0.000 1.181 4403 A CA 1.669 53.782 52.037 0.127 0.000 0.623 4403 A CB -0.404 18.665 19.000 0.115 0.000 0.818 4403 A HN 0.438 nan 8.150 nan 0.000 0.443 4404 E N -0.209 120.035 120.200 0.074 0.000 2.150 4404 E HA -0.113 4.238 4.350 0.000 0.000 0.193 4404 E C 2.293 178.928 176.600 0.059 0.000 0.985 4404 E CA 1.189 57.625 56.400 0.060 0.000 0.814 4404 E CB -0.493 29.233 29.700 0.043 0.000 0.752 4404 E HN 0.556 nan 8.360 nan 0.000 0.466 4405 S N 0.434 116.168 115.700 0.057 0.000 2.355 4405 S HA -0.127 4.344 4.470 0.000 0.000 0.222 4405 S C 2.194 176.831 174.600 0.062 0.000 1.031 4405 S CA 2.152 60.383 58.200 0.050 0.000 0.993 4405 S CB -0.285 62.939 63.200 0.039 0.000 0.859 4405 S HN 0.464 nan 8.310 nan 0.000 0.453 4406 T N -0.720 113.884 114.554 0.083 0.000 2.904 4406 T HA 0.040 4.391 4.350 0.000 0.000 0.267 4406 T C 1.737 176.511 174.700 0.123 0.000 1.059 4406 T CA 1.357 63.521 62.100 0.107 0.000 1.137 4406 T CB -0.501 68.456 68.868 0.148 0.000 0.879 4406 T HN 0.606 nan 8.240 nan 0.000 0.467 4407 E N 0.783 121.059 120.200 0.127 0.000 2.051 4407 E HA -0.165 4.185 4.350 0.000 0.000 0.192 4407 E C 2.253 178.890 176.600 0.062 0.000 0.991 4407 E CA 1.165 57.625 56.400 0.101 0.000 0.799 4407 E CB -0.301 29.456 29.700 0.094 0.000 0.748 4407 E HN 0.581 nan 8.360 nan 0.000 0.449 4408 M N 0.487 120.121 119.600 0.056 0.000 2.080 4408 M HA -0.202 4.278 4.480 0.000 0.000 0.260 4408 M C 2.170 178.494 176.300 0.041 0.000 1.068 4408 M CA 1.495 56.820 55.300 0.042 0.000 1.109 4408 M CB -0.073 32.551 32.600 0.039 0.000 1.342 4408 M HN 0.206 nan 8.290 nan 0.000 0.405 4409 L N 0.149 121.400 121.223 0.048 0.000 2.042 4409 L HA -0.252 4.088 4.340 0.000 0.000 0.210 4409 L C 2.360 179.253 176.870 0.038 0.000 1.076 4409 L CA 1.218 56.085 54.840 0.046 0.000 0.749 4409 L CB -0.729 41.357 42.059 0.045 0.000 0.893 4409 L HN 0.416 nan 8.230 nan 0.000 0.432 4410 L N -0.727 120.519 121.223 0.038 0.000 2.191 4410 L HA -0.185 4.155 4.340 0.000 0.000 0.212 4410 L C 2.685 179.560 176.870 0.008 0.000 1.103 4410 L CA 1.050 55.901 54.840 0.019 0.000 0.769 4410 L CB -0.420 41.647 42.059 0.013 0.000 0.908 4410 L HN 0.218 nan 8.230 nan 0.000 0.438 4411 R N -0.339 120.172 120.500 0.017 0.000 2.189 4411 R HA -0.000 4.340 4.340 0.000 0.000 0.218 4411 R C 0.195 176.504 176.300 0.014 0.000 1.074 4411 R CA 0.402 56.511 56.100 0.015 0.000 0.991 4411 R CB -0.073 30.240 30.300 0.021 0.000 0.883 4411 R HN 0.152 nan 8.270 nan 0.000 0.457 4412 I N 2.154 122.736 120.570 0.020 0.000 2.416 4412 I HA -0.053 4.118 4.170 0.000 0.000 0.288 4412 I C 0.592 176.722 176.117 0.021 0.000 1.051 4412 I CA 0.217 61.530 61.300 0.023 0.000 1.375 4412 I CB 1.233 39.252 38.000 0.032 0.000 1.407 4412 I HN 0.113 nan 8.210 nan 0.000 0.516 4413 D N 2.477 122.888 120.400 0.018 0.000 2.500 4413 D HA 0.145 4.785 4.640 0.000 0.000 0.217 4413 D C -0.262 176.056 176.300 0.030 0.000 1.159 4413 D CA -0.001 54.008 54.000 0.016 0.000 0.828 4413 D CB 0.314 41.114 40.800 -0.000 0.000 1.039 4413 D HN 0.342 nan 8.370 nan 0.000 0.512 4414 D N 0.145 120.566 120.400 0.036 0.000 2.738 4414 D HA 0.248 4.888 4.640 0.000 0.000 0.218 4414 D C -1.656 174.672 176.300 0.046 0.000 1.345 4414 D CA -0.523 53.504 54.000 0.044 0.000 0.943 4414 D CB 2.023 42.839 40.800 0.027 0.000 1.514 4414 D HN -0.183 nan 8.370 nan 0.000 0.585 4415 V N 5.161 125.118 119.914 0.073 0.000 2.378 4415 V HA 0.514 4.634 4.120 0.000 0.000 0.288 4415 V C 0.240 176.378 176.094 0.073 0.000 1.016 4415 V CA -0.571 61.766 62.300 0.063 0.000 0.840 4415 V CB 1.424 33.285 31.823 0.063 0.000 0.994 4415 V HN 0.498 nan 8.190 nan 0.000 0.431 4416 I N 4.579 125.170 120.570 0.036 0.000 2.390 4416 I HA 0.700 4.870 4.170 0.000 0.000 0.283 4416 I C 0.215 176.341 176.117 0.015 0.000 1.016 4416 I CA -0.401 60.915 61.300 0.026 0.000 1.151 4416 I CB 1.618 39.625 38.000 0.012 0.000 1.293 4416 I HN 0.655 nan 8.210 nan 0.000 0.458 4417 A N 5.334 128.168 122.820 0.023 0.000 2.304 4417 A HA 0.857 5.177 4.320 0.000 0.000 0.314 4417 A C 0.001 177.590 177.584 0.010 0.000 1.187 4417 A CA -0.515 51.527 52.037 0.009 0.000 0.810 4417 A CB 1.105 20.108 19.000 0.005 0.000 1.183 4417 A HN 0.752 nan 8.150 nan 0.000 0.487 4418 A N 2.044 124.866 122.820 0.002 0.000 2.351 4418 A HA 0.547 4.867 4.320 0.000 0.000 0.257 4418 A C 0.489 178.076 177.584 0.004 0.000 1.087 4418 A CA -0.098 51.940 52.037 0.002 0.000 0.798 4418 A CB 0.125 19.125 19.000 -0.000 0.000 1.033 4418 A HN 0.925 nan 8.150 nan 0.000 0.488 4419 E N 0.000 120.203 120.200 0.004 0.000 2.725 4419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 4419 E CA 0.000 56.404 56.400 0.006 0.000 0.976 4419 E CB 0.000 29.703 29.700 0.006 0.000 0.812 4419 E HN 0.000 nan 8.360 nan 0.000 0.440