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 1pj4_1_D DATA FIRST_RESID 3022 DATA SEQUENCE KEKGKPLXLN PRTNKGXAFT LQERQXLGLQ GLLPPKIETQ DIQALRFHRN DATA SEQUENCE LKKXTSPLEK YIYIXGIQER NEKLFYRILQ DDIESLXPIV YTPTVGLACS DATA SEQUENCE QYGHIFRRPK GLFISISDRG HVRSIVDNWP ENHVKAVVVT DGERILGLGD DATA SEQUENCE LGVYGXGIPV GKLCLYTACA GIRPDRCLPV CIDVGTDNIA LLKDPFYXGL DATA SEQUENCE YQKRDRTQQY DDLIDEFXKA ITDRYGRNTL IQFEDFGNHN AFRFLRKYRE DATA SEQUENCE KYCTFNDDIQ GTAAVALAGL LAAQKVISKP ISEHKILFLG AGEAALGIAN DATA SEQUENCE LIVXSXVENG LSEQEAQKKI WXFDKYGLLV KGRKAKIDSY QEPFTHSAPE DATA SEQUENCE SIPDTFEDAV NILKPSTIIG VAGAGRLFTP DVIRAXASIN ERPVIFALSN DATA SEQUENCE PTAQAECTAE EAYTLTEGRC LFASGSPFGP VKLTDGRVFT PGQGNNVYIF DATA SEQUENCE PGVALAVILC NTRHISDSVF LEAAKALTSQ LTDEELAQGR LYPPLANIQE DATA SEQUENCE VSINIAIKVT EYLYANKXAF RYPEPEDKAK YVKERTWRSE YDSLLPDVYE DATA SEQUENCE WP 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 3022 K HA 0.000 nan 4.320 nan 0.000 0.191 3022 K C 0.000 176.605 176.600 0.009 0.000 0.988 3022 K CA 0.000 56.298 56.287 0.018 0.000 0.838 3022 K CB 0.000 32.509 32.500 0.016 0.000 1.064 3023 E N 1.347 121.552 120.200 0.009 0.000 2.340 3023 E HA 0.434 4.772 4.350 -0.019 0.000 0.273 3023 E C -1.267 175.328 176.600 -0.007 0.000 0.891 3023 E CA -0.521 55.878 56.400 -0.002 0.000 0.757 3023 E CB 1.533 31.230 29.700 -0.005 0.000 1.231 3023 E HN 0.086 nan 8.360 nan 0.000 0.439 3024 K N 1.183 121.570 120.400 -0.022 0.000 2.303 3024 K HA 0.928 5.237 4.320 -0.019 0.000 0.233 3024 K C 0.432 176.999 176.600 -0.055 0.000 1.046 3024 K CA -0.347 55.915 56.287 -0.041 0.000 0.895 3024 K CB 0.983 33.456 32.500 -0.044 0.000 1.220 3024 K HN 0.707 nan 8.250 nan 0.000 0.470 3025 G N 0.574 109.322 108.800 -0.085 0.000 2.681 3025 G HA2 -0.330 3.618 3.960 -0.019 0.000 0.220 3025 G HA3 -0.330 3.618 3.960 -0.019 0.000 0.220 3025 G C 0.456 175.301 174.900 -0.091 0.000 1.353 3025 G CA 0.421 45.467 45.100 -0.089 0.000 0.872 3025 G HN 0.868 nan 8.290 nan 0.000 0.557 3026 K N 0.875 121.231 120.400 -0.073 0.000 2.127 3026 K HA -0.130 4.178 4.320 -0.019 0.000 0.212 3026 K C 0.203 176.780 176.600 -0.038 0.000 1.050 3026 K CA 2.946 59.198 56.287 -0.057 0.000 0.929 3026 K CB -1.202 31.273 32.500 -0.042 0.000 0.715 3026 K HN 0.355 nan 8.250 nan 0.000 0.457 3027 P HA -0.160 nan 4.420 nan 0.000 0.218 3027 P C 0.114 177.417 177.300 0.004 0.000 1.146 3027 P CA 1.000 64.091 63.100 -0.016 0.000 0.813 3027 P CB 0.012 31.702 31.700 -0.018 0.000 0.778 3031 N N 3.244 121.954 118.700 0.017 0.000 2.420 3031 N HA 0.208 4.936 4.740 -0.019 0.000 0.249 3031 N C -1.705 173.819 175.510 0.024 0.000 1.033 3031 N CA -1.636 51.419 53.050 0.008 0.000 0.944 3031 N CB 1.780 40.276 38.487 0.015 0.000 1.113 3031 N HN -0.021 nan 8.380 nan 0.000 0.502 3032 P HA -0.139 nan 4.420 nan 0.000 0.221 3032 P C 1.083 178.410 177.300 0.044 0.000 1.145 3032 P CA 0.792 63.896 63.100 0.006 0.000 0.795 3032 P CB 0.608 32.283 31.700 -0.041 0.000 0.775 3033 R N 0.617 121.143 120.500 0.044 0.000 2.092 3033 R HA -0.073 4.256 4.340 -0.019 0.000 0.231 3033 R C 2.284 178.650 176.300 0.110 0.000 1.119 3033 R CA 2.365 58.513 56.100 0.079 0.000 0.970 3033 R CB -1.180 29.150 30.300 0.050 0.000 0.864 3033 R HN 0.300 nan 8.270 nan 0.000 0.440 3034 T N -3.250 111.361 114.554 0.094 0.000 3.023 3034 T HA 0.120 4.459 4.350 -0.019 0.000 0.249 3034 T C 0.642 175.392 174.700 0.083 0.000 1.050 3034 T CA -0.255 61.910 62.100 0.110 0.000 1.088 3034 T CB -0.318 68.634 68.868 0.141 0.000 0.946 3034 T HN 0.037 nan 8.240 nan 0.000 0.480 3035 N N 2.095 120.855 118.700 0.099 0.000 2.411 3035 N HA 0.061 4.789 4.740 -0.019 0.000 0.265 3035 N C 0.443 175.845 175.510 -0.179 0.000 1.266 3035 N CA 0.364 53.465 53.050 0.084 0.000 0.889 3035 N CB 0.561 39.110 38.487 0.103 0.000 1.069 3035 N HN 0.385 nan 8.380 nan 0.000 0.476 3036 K N 2.157 122.159 120.400 -0.664 0.000 2.374 3036 K HA 0.232 4.541 4.320 -0.019 0.000 0.202 3036 K C 0.768 177.095 176.600 -0.455 0.000 1.040 3036 K CA 0.116 55.868 56.287 -0.892 0.000 1.085 3036 K CB 0.270 31.738 32.500 -1.720 0.000 0.873 3036 K HN 0.797 nan 8.250 nan 0.000 0.539 3040 F N 3.193 123.027 119.950 -0.194 0.000 2.578 3040 F HA 0.302 4.818 4.527 -0.019 0.000 0.381 3040 F C 1.782 177.528 175.800 -0.090 0.000 1.069 3040 F CA 1.443 59.355 58.000 -0.147 0.000 1.231 3040 F CB 0.829 39.766 39.000 -0.106 0.000 1.086 3040 F HN 0.312 nan 8.300 nan 0.000 0.564 3041 T N 1.711 116.335 114.554 0.115 0.000 2.766 3041 T HA 0.056 4.395 4.350 -0.019 0.000 0.295 3041 T C 1.071 175.808 174.700 0.060 0.000 1.024 3041 T CA -0.867 61.271 62.100 0.063 0.000 1.018 3041 T CB 0.861 69.755 68.868 0.043 0.000 1.002 3041 T HN 0.582 nan 8.240 nan 0.000 0.532 3042 L N 0.547 121.790 121.223 0.033 0.000 2.042 3042 L HA -0.040 4.289 4.340 -0.019 0.000 0.210 3042 L C 2.943 179.818 176.870 0.008 0.000 1.076 3042 L CA 1.889 56.739 54.840 0.016 0.000 0.749 3042 L CB -1.033 41.032 42.059 0.010 0.000 0.893 3042 L HN 0.917 nan 8.230 nan 0.000 0.432 3043 Q N -0.831 118.978 119.800 0.015 0.000 2.119 3043 Q HA -0.215 4.113 4.340 -0.019 0.000 0.201 3043 Q C 2.077 178.082 176.000 0.009 0.000 0.972 3043 Q CA 1.776 57.584 55.803 0.009 0.000 0.847 3043 Q CB -0.003 28.744 28.738 0.015 0.000 0.903 3043 Q HN 0.638 nan 8.270 nan 0.000 0.433 3044 E N -0.079 120.140 120.200 0.032 0.000 2.051 3044 E HA -0.202 4.136 4.350 -0.019 0.000 0.192 3044 E C 2.084 178.661 176.600 -0.038 0.000 0.991 3044 E CA 0.940 57.366 56.400 0.042 0.000 0.799 3044 E CB -0.004 29.789 29.700 0.156 0.000 0.748 3044 E HN 0.289 nan 8.360 nan 0.000 0.449 3045 R N 0.974 121.441 120.500 -0.056 0.000 2.081 3045 R HA -0.094 4.235 4.340 -0.019 0.000 0.235 3045 R C 1.355 177.592 176.300 -0.104 0.000 1.131 3045 R CA 0.921 56.941 56.100 -0.134 0.000 0.960 3045 R CB -0.238 30.007 30.300 -0.092 0.000 0.856 3045 R HN 0.257 nan 8.270 nan 0.000 0.436 3049 G N 1.292 110.028 108.800 -0.106 0.000 2.246 3049 G HA2 -0.267 3.681 3.960 -0.019 0.000 0.273 3049 G HA3 -0.267 3.681 3.960 -0.019 0.000 0.273 3049 G C 0.384 175.205 174.900 -0.133 0.000 1.055 3049 G CA 0.686 45.726 45.100 -0.101 0.000 0.851 3049 G HN 0.343 nan 8.290 nan 0.000 0.500 3050 L N -1.237 119.883 121.223 -0.173 0.000 2.731 3050 L HA 0.280 4.608 4.340 -0.019 0.000 0.240 3050 L C 1.364 178.147 176.870 -0.145 0.000 1.120 3050 L CA -0.245 54.469 54.840 -0.211 0.000 0.913 3050 L CB 0.264 42.087 42.059 -0.393 0.000 1.213 3050 L HN 0.292 nan 8.230 nan 0.000 0.515 3051 Q N 1.141 120.877 119.800 -0.107 0.000 2.274 3051 Q HA 0.282 4.610 4.340 -0.019 0.000 0.280 3051 Q C 1.081 177.046 176.000 -0.058 0.000 1.047 3051 Q CA 1.437 57.198 55.803 -0.071 0.000 0.907 3051 Q CB 0.594 29.299 28.738 -0.055 0.000 1.171 3051 Q HN 0.373 nan 8.270 nan 0.000 0.381 3052 G N 3.040 111.813 108.800 -0.045 0.000 2.254 3052 G HA2 -0.258 3.691 3.960 -0.019 0.000 0.225 3052 G HA3 -0.258 3.691 3.960 -0.019 0.000 0.225 3052 G C 0.500 175.379 174.900 -0.036 0.000 1.003 3052 G CA 0.234 45.313 45.100 -0.035 0.000 0.622 3052 G HN 0.571 nan 8.290 nan 0.000 0.507 3053 L N 0.328 121.521 121.223 -0.050 0.000 2.558 3053 L HA 0.485 4.814 4.340 -0.019 0.000 0.225 3053 L C 0.919 177.770 176.870 -0.032 0.000 1.128 3053 L CA 0.387 55.200 54.840 -0.046 0.000 0.868 3053 L CB 0.032 42.050 42.059 -0.068 0.000 1.006 3053 L HN 0.194 nan 8.230 nan 0.000 0.454 3054 L N -1.012 120.194 121.223 -0.028 0.000 2.354 3054 L HA 0.496 4.825 4.340 -0.019 0.000 0.264 3054 L C -2.244 174.628 176.870 0.003 0.000 1.008 3054 L CA -1.934 52.905 54.840 -0.002 0.000 0.819 3054 L CB 1.707 43.773 42.059 0.012 0.000 1.339 3054 L HN -0.248 nan 8.230 nan 0.000 0.420 3055 P HA 0.117 nan 4.420 nan 0.000 0.269 3055 P C -2.115 175.193 177.300 0.012 0.000 1.215 3055 P CA -0.840 62.267 63.100 0.012 0.000 0.780 3055 P CB 0.094 31.806 31.700 0.019 0.000 0.898 3056 P HA -0.157 nan 4.420 nan 0.000 0.217 3056 P C 0.117 177.425 177.300 0.014 0.000 1.148 3056 P CA 1.289 64.394 63.100 0.008 0.000 0.828 3056 P CB 0.005 31.708 31.700 0.006 0.000 0.783 3057 K N 0.995 121.406 120.400 0.018 0.000 2.484 3057 K HA 0.006 4.314 4.320 -0.019 0.000 0.280 3057 K C -0.265 176.352 176.600 0.027 0.000 1.013 3057 K CA 0.575 56.875 56.287 0.022 0.000 1.029 3057 K CB -0.340 32.174 32.500 0.024 0.000 0.902 3057 K HN -0.088 nan 8.250 nan 0.000 0.481 3058 I N 4.863 125.449 120.570 0.026 0.000 2.312 3058 I HA 0.231 4.389 4.170 -0.019 0.000 0.290 3058 I C 0.355 176.489 176.117 0.029 0.000 1.008 3058 I CA -0.255 61.062 61.300 0.029 0.000 1.226 3058 I CB 0.989 39.005 38.000 0.026 0.000 1.371 3058 I HN 0.756 nan 8.210 nan 0.000 0.468 3059 E N 3.723 123.941 120.200 0.030 0.000 2.243 3059 E HA 0.556 4.894 4.350 -0.019 0.000 0.260 3059 E C -0.140 176.488 176.600 0.047 0.000 0.985 3059 E CA -0.693 55.730 56.400 0.039 0.000 0.858 3059 E CB 1.989 31.717 29.700 0.046 0.000 1.210 3059 E HN 0.626 nan 8.360 nan 0.000 0.411 3060 T N -2.344 112.250 114.554 0.067 0.000 2.952 3060 T HA 0.130 4.468 4.350 -0.019 0.000 0.286 3060 T C 0.864 175.645 174.700 0.135 0.000 1.024 3060 T CA -0.735 61.421 62.100 0.094 0.000 1.029 3060 T CB 1.752 70.659 68.868 0.064 0.000 1.094 3060 T HN 0.487 nan 8.240 nan 0.000 0.515 3061 Q N -0.147 119.760 119.800 0.178 0.000 2.226 3061 Q HA -0.169 4.159 4.340 -0.019 0.000 0.204 3061 Q C 1.109 177.131 176.000 0.036 0.000 0.975 3061 Q CA 1.675 57.544 55.803 0.111 0.000 0.866 3061 Q CB -0.130 28.524 28.738 -0.139 0.000 0.915 3061 Q HN 0.708 nan 8.270 nan 0.000 0.440 3062 D N 0.274 120.696 120.400 0.037 0.000 2.117 3062 D HA -0.148 4.481 4.640 -0.019 0.000 0.197 3062 D C 1.736 178.073 176.300 0.062 0.000 0.987 3062 D CA 1.010 55.034 54.000 0.040 0.000 0.829 3062 D CB -0.123 40.697 40.800 0.034 0.000 0.961 3062 D HN 0.340 nan 8.370 nan 0.000 0.460 3063 I N 0.615 121.223 120.570 0.064 0.000 2.315 3063 I HA -0.252 3.907 4.170 -0.019 0.000 0.248 3063 I C 2.330 178.494 176.117 0.078 0.000 1.117 3063 I CA 0.953 62.294 61.300 0.068 0.000 1.404 3063 I CB -0.151 37.885 38.000 0.060 0.000 1.071 3063 I HN -0.003 nan 8.210 nan 0.000 0.419 3064 Q N 0.504 120.351 119.800 0.079 0.000 2.119 3064 Q HA -0.155 4.173 4.340 -0.019 0.000 0.201 3064 Q C 2.470 178.512 176.000 0.069 0.000 0.972 3064 Q CA 1.627 57.477 55.803 0.079 0.000 0.847 3064 Q CB -0.224 28.568 28.738 0.089 0.000 0.903 3064 Q HN 0.567 nan 8.270 nan 0.000 0.433 3065 A N 0.699 123.549 122.820 0.049 0.000 1.898 3065 A HA -0.166 4.143 4.320 -0.019 0.000 0.216 3065 A C 2.035 179.698 177.584 0.131 0.000 1.181 3065 A CA 0.990 53.046 52.037 0.032 0.000 0.620 3065 A CB -0.598 18.442 19.000 0.067 0.000 0.819 3065 A HN 0.324 nan 8.150 nan 0.000 0.442 3066 L N -0.300 121.023 121.223 0.167 0.000 2.083 3066 L HA -0.148 4.181 4.340 -0.019 0.000 0.209 3066 L C 2.610 179.567 176.870 0.146 0.000 1.083 3066 L CA 2.121 57.075 54.840 0.189 0.000 0.752 3066 L CB -0.353 41.781 42.059 0.125 0.000 0.899 3066 L HN 0.500 nan 8.230 nan 0.000 0.433 3067 R N -1.235 119.338 120.500 0.121 0.000 2.081 3067 R HA -0.246 4.082 4.340 -0.019 0.000 0.235 3067 R C 2.371 178.752 176.300 0.134 0.000 1.131 3067 R CA 1.958 58.124 56.100 0.111 0.000 0.960 3067 R CB -0.554 29.812 30.300 0.109 0.000 0.856 3067 R HN 0.406 nan 8.270 nan 0.000 0.436 3068 F N 0.929 120.874 119.950 -0.008 0.000 2.075 3068 F HA -0.190 4.326 4.527 -0.019 0.000 0.297 3068 F C 1.800 177.603 175.800 0.004 0.000 1.113 3068 F CA 2.160 60.141 58.000 -0.032 0.000 1.218 3068 F CB -0.531 38.308 39.000 -0.269 0.000 0.984 3068 F HN 0.136 nan 8.300 nan 0.000 0.472 3069 H N -0.982 118.067 119.070 -0.035 0.000 2.421 3069 H HA -0.101 4.443 4.556 -0.020 0.000 0.298 3069 H C 2.188 177.425 175.328 -0.153 0.000 1.087 3069 H CA 1.274 57.222 56.048 -0.166 0.000 1.330 3069 H CB -0.127 29.676 29.762 0.068 0.000 1.388 3069 H HN 0.081 nan 8.280 nan 0.000 0.526 3070 R N 0.725 121.243 120.500 0.031 0.000 2.075 3070 R HA -0.061 4.267 4.340 -0.019 0.000 0.232 3070 R C 1.807 178.073 176.300 -0.055 0.000 1.126 3070 R CA 1.209 57.312 56.100 0.005 0.000 0.963 3070 R CB -0.137 30.180 30.300 0.027 0.000 0.858 3070 R HN 0.353 nan 8.270 nan 0.000 0.435 3071 N N 0.041 118.689 118.700 -0.087 0.000 2.216 3071 N HA -0.137 4.591 4.740 -0.019 0.000 0.183 3071 N C 1.585 176.981 175.510 -0.191 0.000 1.017 3071 N CA 0.831 53.796 53.050 -0.141 0.000 0.861 3071 N CB -0.276 38.116 38.487 -0.158 0.000 0.986 3071 N HN 0.120 nan 8.380 nan 0.000 0.428 3072 L N 1.865 122.936 121.223 -0.253 0.000 2.083 3072 L HA -0.140 4.189 4.340 -0.019 0.000 0.209 3072 L C 2.177 178.979 176.870 -0.113 0.000 1.083 3072 L CA 1.658 56.361 54.840 -0.229 0.000 0.752 3072 L CB -0.437 41.330 42.059 -0.486 0.000 0.899 3072 L HN -0.058 nan 8.230 nan 0.000 0.433 3073 K N 0.313 120.658 120.400 -0.091 0.000 2.103 3073 K HA -0.139 4.170 4.320 -0.019 0.000 0.207 3073 K C 0.843 177.419 176.600 -0.041 0.000 1.048 3073 K CA 1.308 57.570 56.287 -0.043 0.000 0.930 3073 K CB -0.126 32.359 32.500 -0.025 0.000 0.716 3073 K HN 0.293 nan 8.250 nan 0.000 0.444 3077 S N 3.042 118.755 115.700 0.022 0.000 2.584 3077 S HA 0.556 5.015 4.470 -0.019 0.000 0.273 3077 S C -1.908 172.725 174.600 0.055 0.000 1.311 3077 S CA -0.875 57.344 58.200 0.032 0.000 1.034 3077 S CB 1.319 64.533 63.200 0.025 0.000 0.939 3077 S HN 0.159 nan 8.310 nan 0.000 0.513 3078 P HA -0.060 nan 4.420 nan 0.000 0.216 3078 P C 1.567 178.939 177.300 0.120 0.000 1.153 3078 P CA 0.396 63.548 63.100 0.087 0.000 0.848 3078 P CB 0.014 31.751 31.700 0.061 0.000 0.787 3079 L N 0.202 121.471 121.223 0.078 0.000 2.083 3079 L HA -0.147 4.181 4.340 -0.019 0.000 0.209 3079 L C 2.250 179.214 176.870 0.157 0.000 1.083 3079 L CA 1.852 56.745 54.840 0.088 0.000 0.752 3079 L CB -1.154 40.914 42.059 0.015 0.000 0.899 3079 L HN -0.040 nan 8.230 nan 0.000 0.433 3080 E N -0.608 119.659 120.200 0.111 0.000 2.077 3080 E HA -0.254 4.085 4.350 -0.019 0.000 0.193 3080 E C 2.078 178.775 176.600 0.162 0.000 0.989 3080 E CA 1.250 57.711 56.400 0.103 0.000 0.800 3080 E CB -0.002 29.727 29.700 0.048 0.000 0.746 3080 E HN 0.512 nan 8.360 nan 0.000 0.452 3081 K N -0.394 120.114 120.400 0.182 0.000 2.057 3081 K HA -0.177 4.131 4.320 -0.019 0.000 0.206 3081 K C 2.146 178.918 176.600 0.286 0.000 1.050 3081 K CA 1.361 57.794 56.287 0.243 0.000 0.935 3081 K CB -0.359 32.261 32.500 0.200 0.000 0.715 3081 K HN 0.243 nan 8.250 nan 0.000 0.439 3082 Y N 1.857 122.242 120.300 0.142 0.000 2.128 3082 Y HA -0.238 4.300 4.550 -0.020 0.000 0.284 3082 Y C 1.872 177.843 175.900 0.118 0.000 1.154 3082 Y CA 1.472 59.649 58.100 0.129 0.000 1.149 3082 Y CB -0.186 38.334 38.460 0.099 0.000 0.976 3082 Y HN -0.073 nan 8.280 nan 0.000 0.505 3083 I N -0.770 119.959 120.570 0.264 0.000 2.208 3083 I HA -0.338 3.820 4.170 -0.019 0.000 0.245 3083 I C 2.220 178.386 176.117 0.082 0.000 1.097 3083 I CA 1.711 63.089 61.300 0.129 0.000 1.363 3083 I CB -0.657 37.436 38.000 0.155 0.000 1.051 3083 I HN 0.329 nan 8.210 nan 0.000 0.413 3084 Y N 2.218 122.526 120.300 0.015 0.000 2.089 3084 Y HA -0.125 4.414 4.550 -0.019 0.000 0.282 3084 Y C 1.524 177.454 175.900 0.050 0.000 1.139 3084 Y CA 0.744 58.864 58.100 0.033 0.000 1.123 3084 Y CB -0.515 37.986 38.460 0.068 0.000 0.980 3084 Y HN 0.129 nan 8.280 nan 0.000 0.493 3088 I N 1.528 121.931 120.570 -0.277 0.000 2.454 3088 I HA -0.171 3.987 4.170 -0.019 0.000 0.254 3088 I C 2.602 178.508 176.117 -0.351 0.000 1.156 3088 I CA 1.678 62.832 61.300 -0.243 0.000 1.433 3088 I CB -0.055 37.821 38.000 -0.207 0.000 1.082 3088 I HN 0.303 nan 8.210 nan 0.000 0.432 3089 Q N 1.082 120.432 119.800 -0.750 0.000 2.224 3089 Q HA -0.187 4.141 4.340 -0.019 0.000 0.203 3089 Q C 1.530 177.262 176.000 -0.446 0.000 0.970 3089 Q CA 1.152 56.376 55.803 -0.964 0.000 0.865 3089 Q CB 0.223 27.971 28.738 -1.649 0.000 0.922 3089 Q HN 0.421 nan 8.270 nan 0.000 0.445 3090 E N -0.290 119.706 120.200 -0.340 0.000 2.479 3090 E HA 0.046 4.385 4.350 -0.019 0.000 0.193 3090 E C 1.076 177.595 176.600 -0.136 0.000 1.049 3090 E CA 0.105 56.382 56.400 -0.205 0.000 0.870 3090 E CB 0.477 30.061 29.700 -0.193 0.000 0.944 3090 E HN 0.356 nan 8.360 nan 0.000 0.492 3091 R N -0.206 120.216 120.500 -0.130 0.000 2.215 3091 R HA 0.146 4.474 4.340 -0.019 0.000 0.190 3091 R C 0.613 176.897 176.300 -0.027 0.000 0.968 3091 R CA 0.067 56.128 56.100 -0.065 0.000 1.122 3091 R CB 0.477 30.746 30.300 -0.052 0.000 1.151 3091 R HN -0.131 nan 8.270 nan 0.000 0.582 3092 N N 1.200 119.882 118.700 -0.030 0.000 2.653 3092 N HA 0.018 4.746 4.740 -0.019 0.000 0.261 3092 N C -0.211 175.334 175.510 0.059 0.000 1.216 3092 N CA 0.055 53.126 53.050 0.034 0.000 0.784 3092 N CB 1.522 40.043 38.487 0.056 0.000 1.327 3092 N HN 0.085 nan 8.380 nan 0.000 0.539 3093 E N 2.064 122.317 120.200 0.089 0.000 2.070 3093 E HA -0.192 4.146 4.350 -0.019 0.000 0.197 3093 E C 0.957 177.755 176.600 0.330 0.000 1.004 3093 E CA 1.232 57.734 56.400 0.170 0.000 0.805 3093 E CB 0.355 30.173 29.700 0.197 0.000 0.744 3093 E HN 0.394 nan 8.360 nan 0.000 0.451 3094 K N 0.417 121.014 120.400 0.328 0.000 2.032 3094 K HA -0.199 4.109 4.320 -0.019 0.000 0.209 3094 K C 2.264 178.900 176.600 0.061 0.000 1.048 3094 K CA 0.878 57.323 56.287 0.262 0.000 0.927 3094 K CB -0.669 31.902 32.500 0.119 0.000 0.712 3094 K HN 0.208 nan 8.250 nan 0.000 0.441 3095 L N 0.838 122.073 121.223 0.020 0.000 2.083 3095 L HA -0.130 4.198 4.340 -0.019 0.000 0.209 3095 L C 2.203 178.997 176.870 -0.127 0.000 1.083 3095 L CA 1.369 56.160 54.840 -0.082 0.000 0.752 3095 L CB -0.705 41.345 42.059 -0.015 0.000 0.899 3095 L HN 0.065 nan 8.230 nan 0.000 0.433 3096 F N -0.332 119.460 119.950 -0.263 0.000 2.069 3096 F HA -0.298 4.217 4.527 -0.020 0.000 0.298 3096 F C 2.127 177.654 175.800 -0.456 0.000 1.113 3096 F CA 1.975 59.707 58.000 -0.446 0.000 1.214 3096 F CB -0.848 37.829 39.000 -0.537 0.000 0.978 3096 F HN 0.175 nan 8.300 nan 0.000 0.474 3097 Y N -0.361 119.848 120.300 -0.152 0.000 2.293 3097 Y HA -0.169 4.370 4.550 -0.018 0.000 0.291 3097 Y C 2.588 178.361 175.900 -0.212 0.000 1.137 3097 Y CA 1.180 59.157 58.100 -0.205 0.000 1.202 3097 Y CB -0.474 38.087 38.460 0.168 0.000 0.990 3097 Y HN 0.011 nan 8.280 nan 0.000 0.537 3098 R N 0.842 121.291 120.500 -0.085 0.000 2.081 3098 R HA -0.156 4.173 4.340 -0.019 0.000 0.235 3098 R C 1.780 177.965 176.300 -0.192 0.000 1.131 3098 R CA 1.548 57.562 56.100 -0.144 0.000 0.960 3098 R CB -0.984 29.199 30.300 -0.195 0.000 0.856 3098 R HN 0.260 nan 8.270 nan 0.000 0.436 3099 I N 0.112 120.475 120.570 -0.345 0.000 2.226 3099 I HA -0.221 3.937 4.170 -0.019 0.000 0.245 3099 I C 1.728 177.638 176.117 -0.346 0.000 1.100 3099 I CA 1.093 62.095 61.300 -0.497 0.000 1.374 3099 I CB -0.387 37.012 38.000 -1.003 0.000 1.057 3099 I HN 0.191 nan 8.210 nan 0.000 0.413 3100 L N -0.193 120.784 121.223 -0.410 0.000 2.027 3100 L HA -0.223 4.106 4.340 -0.019 0.000 0.206 3100 L C 2.460 179.256 176.870 -0.124 0.000 1.074 3100 L CA 1.733 56.405 54.840 -0.280 0.000 0.745 3100 L CB -1.747 40.105 42.059 -0.346 0.000 0.898 3100 L HN 0.439 nan 8.230 nan 0.000 0.433 3101 Q N -0.294 119.447 119.800 -0.098 0.000 2.181 3101 Q HA -0.243 4.085 4.340 -0.019 0.000 0.205 3101 Q C 1.554 177.535 176.000 -0.031 0.000 0.980 3101 Q CA 1.776 57.548 55.803 -0.052 0.000 0.862 3101 Q CB 0.089 28.800 28.738 -0.045 0.000 0.905 3101 Q HN 0.422 nan 8.270 nan 0.000 0.429 3102 D N 0.492 120.886 120.400 -0.008 0.000 2.144 3102 D HA -0.102 4.527 4.640 -0.019 0.000 0.199 3102 D C 0.146 176.460 176.300 0.022 0.000 0.984 3102 D CA 1.263 55.287 54.000 0.039 0.000 0.834 3102 D CB 0.094 41.000 40.800 0.177 0.000 0.955 3102 D HN 0.224 nan 8.370 nan 0.000 0.465 3103 D N -0.989 119.433 120.400 0.036 0.000 2.934 3103 D HA 0.016 4.644 4.640 -0.019 0.000 0.249 3103 D C 0.726 177.037 176.300 0.019 0.000 1.293 3103 D CA -0.364 53.651 54.000 0.023 0.000 0.812 3103 D CB -0.143 40.676 40.800 0.033 0.000 1.439 3103 D HN -0.135 nan 8.370 nan 0.000 0.555 3104 I N 1.700 122.263 120.570 -0.012 0.000 2.335 3104 I HA -0.149 4.009 4.170 -0.019 0.000 0.251 3104 I C 1.922 178.030 176.117 -0.016 0.000 1.129 3104 I CA 1.726 63.008 61.300 -0.032 0.000 1.402 3104 I CB 0.124 38.090 38.000 -0.058 0.000 1.069 3104 I HN 0.413 nan 8.210 nan 0.000 0.424 3105 E N -0.182 120.016 120.200 -0.003 0.000 2.072 3105 E HA -0.217 4.121 4.350 -0.019 0.000 0.191 3105 E C 2.208 178.828 176.600 0.033 0.000 0.985 3105 E CA 1.520 57.926 56.400 0.010 0.000 0.801 3105 E CB -0.185 29.526 29.700 0.018 0.000 0.750 3105 E HN 0.641 nan 8.360 nan 0.000 0.452 3106 S N -0.345 115.381 115.700 0.044 0.000 2.470 3106 S HA 0.081 4.540 4.470 -0.019 0.000 0.225 3106 S C 1.035 175.685 174.600 0.083 0.000 1.006 3106 S CA -0.175 58.063 58.200 0.063 0.000 0.934 3106 S CB -0.132 63.108 63.200 0.067 0.000 0.778 3106 S HN 0.122 nan 8.310 nan 0.000 0.517 3110 I N -0.397 120.266 120.570 0.155 0.000 2.729 3110 I HA 0.026 4.184 4.170 -0.019 0.000 0.256 3110 I C 1.914 178.221 176.117 0.316 0.000 1.115 3110 I CA 0.724 62.149 61.300 0.207 0.000 1.446 3110 I CB -0.348 37.774 38.000 0.205 0.000 1.176 3110 I HN -0.085 nan 8.210 nan 0.000 0.446 3111 V N -0.926 119.155 119.914 0.278 0.000 3.235 3111 V HA -0.029 4.079 4.120 -0.019 0.000 0.259 3111 V C 0.832 177.162 176.094 0.394 0.000 1.133 3111 V CA 0.955 63.451 62.300 0.327 0.000 1.128 3111 V CB -0.072 31.869 31.823 0.195 0.000 0.757 3111 V HN 0.354 nan 8.190 nan 0.000 0.469 3112 Y N -0.135 120.252 120.300 0.146 0.000 3.224 3112 Y HA 0.481 5.020 4.550 -0.019 0.000 0.301 3112 Y C 0.750 176.686 175.900 0.060 0.000 1.663 3112 Y CA -0.498 57.666 58.100 0.105 0.000 0.995 3112 Y CB 1.030 39.536 38.460 0.076 0.000 1.381 3112 Y HN -0.120 nan 8.280 nan 0.000 0.643 3113 T N 4.078 118.377 114.554 -0.426 0.000 2.930 3113 T HA 0.185 4.523 4.350 -0.019 0.000 0.306 3113 T C -1.845 172.780 174.700 -0.125 0.000 1.045 3113 T CA -1.227 60.669 62.100 -0.339 0.000 1.134 3113 T CB 0.628 69.198 68.868 -0.497 0.000 0.961 3113 T HN 0.490 nan 8.240 nan 0.000 0.545 3114 P HA 0.082 nan 4.420 nan 0.000 0.234 3114 P C 1.338 178.579 177.300 -0.098 0.000 1.175 3114 P CA 0.462 63.487 63.100 -0.124 0.000 0.801 3114 P CB 0.108 31.740 31.700 -0.113 0.000 0.891 3115 T N 0.545 115.066 114.554 -0.055 0.000 2.803 3115 T HA -0.113 4.225 4.350 -0.019 0.000 0.269 3115 T C 1.847 176.452 174.700 -0.158 0.000 1.052 3115 T CA 1.109 63.167 62.100 -0.070 0.000 1.136 3115 T CB -1.013 67.860 68.868 0.009 0.000 0.864 3115 T HN -0.086 nan 8.240 nan 0.000 0.467 3116 V N 1.493 121.351 119.914 -0.095 0.000 2.407 3116 V HA -0.092 4.016 4.120 -0.019 0.000 0.248 3116 V C 2.533 178.531 176.094 -0.161 0.000 1.055 3116 V CA 2.252 64.485 62.300 -0.113 0.000 1.049 3116 V CB -1.038 30.807 31.823 0.036 0.000 0.662 3116 V HN 0.578 nan 8.190 nan 0.000 0.455 3117 G N -0.370 108.344 108.800 -0.144 0.000 2.418 3117 G HA2 -0.250 3.698 3.960 -0.019 0.000 0.217 3117 G HA3 -0.250 3.698 3.960 -0.019 0.000 0.217 3117 G C 1.505 176.333 174.900 -0.119 0.000 1.158 3117 G CA 1.075 46.100 45.100 -0.124 0.000 0.771 3117 G HN 0.502 nan 8.290 nan 0.000 0.545 3118 L N 1.389 122.532 121.223 -0.135 0.000 2.046 3118 L HA 0.183 4.512 4.340 -0.019 0.000 0.208 3118 L C 3.020 179.792 176.870 -0.163 0.000 1.077 3118 L CA 2.031 56.795 54.840 -0.126 0.000 0.747 3118 L CB -0.738 41.250 42.059 -0.118 0.000 0.896 3118 L HN 0.229 nan 8.230 nan 0.000 0.432 3119 A N -1.435 121.217 122.820 -0.281 0.000 1.902 3119 A HA -0.227 4.082 4.320 -0.019 0.000 0.217 3119 A C 2.402 179.953 177.584 -0.055 0.000 1.181 3119 A CA 1.771 53.620 52.037 -0.314 0.000 0.623 3119 A CB -1.440 17.036 19.000 -0.873 0.000 0.818 3119 A HN 0.611 nan 8.150 nan 0.000 0.443 3120 C N 0.023 119.265 119.300 -0.097 0.000 2.432 3120 C HA -0.095 4.353 4.460 -0.019 0.000 0.277 3120 C C 3.367 178.361 174.990 0.007 0.000 1.249 3120 C CA 1.472 60.429 59.018 -0.101 0.000 1.725 3120 C CB -1.220 26.438 27.740 -0.137 0.000 2.028 3120 C HN 0.800 nan 8.230 nan 0.000 0.477 3121 S N -0.054 115.653 115.700 0.012 0.000 2.469 3121 S HA -0.133 4.325 4.470 -0.019 0.000 0.238 3121 S C 1.382 176.014 174.600 0.053 0.000 0.998 3121 S CA 1.259 59.511 58.200 0.087 0.000 0.957 3121 S CB -0.331 62.883 63.200 0.023 0.000 0.764 3121 S HN 0.713 nan 8.310 nan 0.000 0.514 3122 Q N -0.998 118.761 119.800 -0.069 0.000 2.155 3122 Q HA 0.260 4.588 4.340 -0.019 0.000 0.220 3122 Q C 0.264 176.177 176.000 -0.145 0.000 0.819 3122 Q CA -0.282 55.440 55.803 -0.136 0.000 1.032 3122 Q CB -0.133 28.520 28.738 -0.141 0.000 1.151 3122 Q HN 0.577 nan 8.270 nan 0.000 0.487 3123 Y N 1.671 121.653 120.300 -0.530 0.000 2.102 3123 Y HA -0.237 4.301 4.550 -0.019 0.000 0.280 3123 Y C 2.310 177.985 175.900 -0.374 0.000 1.178 3123 Y CA 2.217 60.042 58.100 -0.459 0.000 1.146 3123 Y CB -0.430 37.753 38.460 -0.461 0.000 0.968 3123 Y HN 0.267 nan 8.280 nan 0.000 0.504 3124 G N -2.440 105.997 108.800 -0.605 0.000 2.471 3124 G HA2 -0.246 3.703 3.960 -0.019 0.000 0.219 3124 G HA3 -0.246 3.703 3.960 -0.019 0.000 0.219 3124 G C 1.085 175.941 174.900 -0.073 0.000 1.125 3124 G CA 1.074 46.145 45.100 -0.048 0.000 0.775 3124 G HN 0.486 nan 8.290 nan 0.000 0.548 3125 H N -0.091 118.874 119.070 -0.176 0.000 2.482 3125 H HA 0.156 4.700 4.556 -0.019 0.000 0.286 3125 H C 2.330 177.530 175.328 -0.213 0.000 1.017 3125 H CA 0.981 56.867 56.048 -0.269 0.000 1.322 3125 H CB 0.046 29.719 29.762 -0.149 0.000 1.426 3125 H HN 0.548 nan 8.280 nan 0.000 0.546 3126 I N -3.087 117.467 120.570 -0.027 0.000 4.018 3126 I HA 0.175 4.333 4.170 -0.019 0.000 0.337 3126 I C 0.088 176.148 176.117 -0.094 0.000 1.327 3126 I CA -0.435 60.834 61.300 -0.051 0.000 1.100 3126 I CB -0.100 37.889 38.000 -0.019 0.000 1.025 3126 I HN -0.128 nan 8.210 nan 0.000 0.396 3127 F N 3.336 123.135 119.950 -0.253 0.000 2.629 3127 F HA 0.093 4.608 4.527 -0.020 0.000 0.369 3127 F C 1.121 176.817 175.800 -0.173 0.000 1.125 3127 F CA 0.813 58.653 58.000 -0.267 0.000 1.330 3127 F CB 0.501 39.357 39.000 -0.239 0.000 1.071 3127 F HN 0.060 nan 8.300 nan 0.000 0.595 3128 R N 3.041 122.850 120.500 -1.151 0.000 3.350 3128 R HA 0.300 4.629 4.340 -0.019 0.000 0.148 3128 R C -0.309 175.386 176.300 -1.008 0.000 0.732 3128 R CA -0.532 55.096 56.100 -0.787 0.000 1.152 3128 R CB 0.587 30.643 30.300 -0.405 0.000 1.613 3128 R HN 0.485 nan 8.270 nan 0.000 0.529 3129 R N 1.484 121.378 120.500 -1.009 0.000 2.725 3129 R HA 0.405 4.733 4.340 -0.019 0.000 0.277 3129 R C -2.718 173.349 176.300 -0.388 0.000 0.987 3129 R CA -1.746 54.009 56.100 -0.575 0.000 0.901 3129 R CB 2.579 32.713 30.300 -0.276 0.000 1.207 3129 R HN -0.002 nan 8.270 nan 0.000 0.463 3130 P HA 0.298 nan 4.420 nan 0.000 0.279 3130 P C -1.395 176.067 177.300 0.270 0.000 1.252 3130 P CA -0.551 62.769 63.100 0.367 0.000 0.811 3130 P CB 1.268 33.258 31.700 0.482 0.000 1.035 3131 K N 0.637 121.243 120.400 0.343 0.000 2.482 3131 K HA 0.647 4.956 4.320 -0.019 0.000 0.251 3131 K C -0.212 176.474 176.600 0.143 0.000 0.936 3131 K CA -0.502 55.918 56.287 0.221 0.000 0.791 3131 K CB 1.990 34.567 32.500 0.129 0.000 1.213 3131 K HN 0.916 nan 8.250 nan 0.000 0.428 3132 G N 1.433 110.334 108.800 0.168 0.000 2.710 3132 G HA2 -0.189 3.759 3.960 -0.019 0.000 0.668 3132 G HA3 -0.189 3.759 3.960 -0.019 0.000 0.668 3132 G C -1.368 173.417 174.900 -0.192 0.000 1.320 3132 G CA -1.056 43.927 45.100 -0.196 0.000 0.860 3132 G HN 0.419 nan 8.290 nan 0.000 0.538 3133 L N -0.136 120.811 121.223 -0.460 0.000 2.295 3133 L HA 0.701 5.029 4.340 -0.019 0.000 0.285 3133 L C -0.443 176.218 176.870 -0.348 0.000 1.035 3133 L CA -0.617 54.094 54.840 -0.215 0.000 0.806 3133 L CB 1.020 42.934 42.059 -0.241 0.000 1.214 3133 L HN 0.452 nan 8.230 nan 0.000 0.426 3134 F N 4.764 124.711 119.950 -0.006 0.000 2.426 3134 F HA 0.500 5.016 4.527 -0.019 0.000 0.348 3134 F C 0.197 175.971 175.800 -0.043 0.000 1.124 3134 F CA -0.438 57.535 58.000 -0.044 0.000 1.008 3134 F CB 1.380 40.367 39.000 -0.021 0.000 1.139 3134 F HN 0.166 nan 8.300 nan 0.000 0.452 3135 I N 3.063 123.668 120.570 0.058 0.000 2.418 3135 I HA 0.376 4.534 4.170 -0.019 0.000 0.287 3135 I C -0.360 175.767 176.117 0.015 0.000 1.008 3135 I CA -0.518 60.796 61.300 0.023 0.000 1.104 3135 I CB 1.911 39.878 38.000 -0.055 0.000 1.264 3135 I HN 0.611 nan 8.210 nan 0.000 0.438 3136 S N 4.937 120.662 115.700 0.043 0.000 2.664 3136 S HA 0.437 4.895 4.470 -0.019 0.000 0.304 3136 S C 0.664 175.296 174.600 0.054 0.000 1.099 3136 S CA -0.701 57.523 58.200 0.039 0.000 1.003 3136 S CB 2.102 65.320 63.200 0.030 0.000 1.092 3136 S HN 0.602 nan 8.310 nan 0.000 0.525 3137 I N 1.749 122.358 120.570 0.066 0.000 2.454 3137 I HA -0.076 4.083 4.170 -0.019 0.000 0.254 3137 I C 1.981 178.144 176.117 0.077 0.000 1.156 3137 I CA 1.478 62.828 61.300 0.083 0.000 1.433 3137 I CB -0.584 37.477 38.000 0.101 0.000 1.082 3137 I HN 0.732 nan 8.210 nan 0.000 0.432 3138 S N 0.146 115.886 115.700 0.067 0.000 2.515 3138 S HA -0.049 4.410 4.470 -0.019 0.000 0.231 3138 S C 1.226 175.879 174.600 0.089 0.000 0.987 3138 S CA 0.864 59.104 58.200 0.068 0.000 0.936 3138 S CB -0.336 62.893 63.200 0.048 0.000 0.766 3138 S HN 0.537 nan 8.310 nan 0.000 0.528 3139 D N 1.366 121.823 120.400 0.096 0.000 2.340 3139 D HA 0.022 4.651 4.640 -0.019 0.000 0.217 3139 D C 0.722 177.114 176.300 0.154 0.000 1.081 3139 D CA -0.050 54.032 54.000 0.137 0.000 0.842 3139 D CB 0.092 40.959 40.800 0.111 0.000 0.934 3139 D HN 0.495 nan 8.370 nan 0.000 0.511 3140 R N 0.249 120.814 120.500 0.108 0.000 2.537 3140 R HA 0.161 4.490 4.340 -0.019 0.000 0.281 3140 R C 0.952 177.253 176.300 0.002 0.000 0.988 3140 R CA 1.228 57.365 56.100 0.061 0.000 1.077 3140 R CB 0.136 30.471 30.300 0.058 0.000 0.932 3140 R HN 0.044 nan 8.270 nan 0.000 0.409 3141 G N 2.313 111.056 108.800 -0.095 0.000 2.217 3141 G HA2 -0.245 3.704 3.960 -0.019 0.000 0.246 3141 G HA3 -0.245 3.704 3.960 -0.019 0.000 0.246 3141 G C 0.313 174.858 174.900 -0.592 0.000 0.990 3141 G CA 0.252 45.160 45.100 -0.321 0.000 0.627 3141 G HN 0.799 nan 8.290 nan 0.000 0.522 3142 H N -0.537 118.552 119.070 0.032 0.000 2.750 3142 H HA 0.354 4.898 4.556 -0.019 0.000 0.252 3142 H C 1.915 177.264 175.328 0.036 0.000 1.176 3142 H CA 0.456 56.522 56.048 0.030 0.000 0.987 3142 H CB 0.398 30.178 29.762 0.030 0.000 1.810 3142 H HN 0.241 nan 8.280 nan 0.000 0.630 3143 V N 0.793 120.762 119.914 0.092 0.000 2.407 3143 V HA -0.252 3.856 4.120 -0.019 0.000 0.248 3143 V C 2.753 178.893 176.094 0.075 0.000 1.055 3143 V CA 1.839 64.195 62.300 0.093 0.000 1.049 3143 V CB -0.257 31.616 31.823 0.083 0.000 0.662 3143 V HN 0.193 nan 8.190 nan 0.000 0.455 3144 R N 1.706 122.232 120.500 0.043 0.000 2.096 3144 R HA -0.136 4.193 4.340 -0.019 0.000 0.235 3144 R C 2.506 178.830 176.300 0.040 0.000 1.127 3144 R CA 1.982 58.093 56.100 0.018 0.000 0.968 3144 R CB -0.918 29.379 30.300 -0.005 0.000 0.861 3144 R HN 0.661 nan 8.270 nan 0.000 0.440 3145 S N -0.823 114.920 115.700 0.072 0.000 2.453 3145 S HA -0.024 4.435 4.470 -0.019 0.000 0.231 3145 S C 2.017 176.668 174.600 0.085 0.000 1.005 3145 S CA 0.880 59.124 58.200 0.074 0.000 0.949 3145 S CB -0.338 62.915 63.200 0.089 0.000 0.774 3145 S HN 0.369 nan 8.310 nan 0.000 0.510 3146 I N 1.000 121.630 120.570 0.101 0.000 2.333 3146 I HA -0.064 4.095 4.170 -0.019 0.000 0.246 3146 I C 2.355 178.558 176.117 0.144 0.000 1.106 3146 I CA 0.735 62.108 61.300 0.122 0.000 1.411 3146 I CB -0.280 37.796 38.000 0.127 0.000 1.082 3146 I HN 0.205 nan 8.210 nan 0.000 0.420 3147 V N 0.695 120.679 119.914 0.116 0.000 2.407 3147 V HA -0.281 3.827 4.120 -0.019 0.000 0.248 3147 V C 1.781 177.952 176.094 0.128 0.000 1.055 3147 V CA 1.782 64.155 62.300 0.123 0.000 1.049 3147 V CB -0.642 31.203 31.823 0.038 0.000 0.662 3147 V HN 0.404 nan 8.190 nan 0.000 0.455 3148 D N 0.099 120.541 120.400 0.070 0.000 2.350 3148 D HA -0.086 4.542 4.640 -0.019 0.000 0.216 3148 D C 1.738 178.096 176.300 0.097 0.000 0.968 3148 D CA 0.573 54.603 54.000 0.051 0.000 0.894 3148 D CB -0.208 40.602 40.800 0.017 0.000 0.909 3148 D HN 0.413 nan 8.370 nan 0.000 0.520 3149 N N -0.283 118.500 118.700 0.139 0.000 2.446 3149 N HA -0.082 4.646 4.740 -0.019 0.000 0.179 3149 N C 0.410 176.023 175.510 0.172 0.000 1.054 3149 N CA -0.006 53.123 53.050 0.131 0.000 0.905 3149 N CB 0.068 38.633 38.487 0.130 0.000 0.973 3149 N HN 0.351 nan 8.380 nan 0.000 0.448 3150 W N 3.227 124.572 121.300 0.076 0.000 2.308 3150 W HA 0.052 4.700 4.660 -0.019 0.000 0.324 3150 W C -1.623 174.953 176.519 0.094 0.000 1.387 3150 W CA -1.238 56.162 57.345 0.092 0.000 1.250 3150 W CB 0.912 30.452 29.460 0.134 0.000 1.257 3150 W HN 0.094 nan 8.180 nan 0.000 0.554 3151 P HA -0.189 nan 4.420 nan 0.000 0.215 3151 P C 0.007 177.207 177.300 -0.167 0.000 1.153 3151 P CA 1.634 64.529 63.100 -0.341 0.000 0.853 3151 P CB 0.148 31.564 31.700 -0.474 0.000 0.788 3152 E N 0.505 120.596 120.200 -0.181 0.000 2.338 3152 E HA 0.015 4.353 4.350 -0.019 0.000 0.272 3152 E C 0.895 177.702 176.600 0.344 0.000 1.029 3152 E CA 0.000 56.472 56.400 0.119 0.000 0.872 3152 E CB 0.193 30.008 29.700 0.193 0.000 1.015 3152 E HN 0.326 nan 8.360 nan 0.000 0.417 3153 N N 2.055 120.930 118.700 0.291 0.000 2.299 3153 N HA -0.114 4.615 4.740 -0.019 0.000 0.187 3153 N C 0.166 175.979 175.510 0.506 0.000 1.099 3153 N CA 0.260 53.536 53.050 0.378 0.000 0.867 3153 N CB 0.241 38.840 38.487 0.188 0.000 0.974 3153 N HN 0.301 nan 8.380 nan 0.000 0.477 3154 H N 0.900 120.102 119.070 0.221 0.000 2.386 3154 H HA 0.423 4.967 4.556 -0.020 0.000 0.232 3154 H C -1.148 174.138 175.328 -0.071 0.000 1.416 3154 H CA -0.756 55.368 56.048 0.126 0.000 1.285 3154 H CB -0.324 29.490 29.762 0.087 0.000 1.625 3154 H HN -0.217 nan 8.280 nan 0.000 0.521 3155 V N 3.212 122.890 119.914 -0.394 0.000 2.614 3155 V HA 0.107 4.215 4.120 -0.019 0.000 0.291 3155 V C 1.014 176.848 176.094 -0.433 0.000 1.049 3155 V CA 0.234 62.151 62.300 -0.638 0.000 1.038 3155 V CB 1.363 32.408 31.823 -1.296 0.000 0.980 3155 V HN 0.585 nan 8.190 nan 0.000 0.481 3156 K N 2.878 123.081 120.400 -0.328 0.000 2.474 3156 K HA 0.417 4.725 4.320 -0.019 0.000 0.204 3156 K C 0.176 176.703 176.600 -0.121 0.000 1.220 3156 K CA 0.420 56.586 56.287 -0.202 0.000 0.966 3156 K CB 1.574 33.959 32.500 -0.192 0.000 1.049 3156 K HN 0.656 nan 8.250 nan 0.000 0.554 3157 A N 1.415 124.137 122.820 -0.164 0.000 2.381 3157 A HA 0.600 4.908 4.320 -0.019 0.000 0.299 3157 A C -0.959 176.469 177.584 -0.259 0.000 1.049 3157 A CA -0.526 51.441 52.037 -0.116 0.000 0.715 3157 A CB 1.612 20.620 19.000 0.014 0.000 1.222 3157 A HN -0.097 nan 8.150 nan 0.000 0.428 3158 V N 2.551 122.333 119.914 -0.220 0.000 2.540 3158 V HA 0.541 4.649 4.120 -0.019 0.000 0.302 3158 V C -0.522 175.410 176.094 -0.270 0.000 1.035 3158 V CA -0.581 61.555 62.300 -0.273 0.000 0.873 3158 V CB 1.792 33.485 31.823 -0.217 0.000 0.992 3158 V HN 0.675 nan 8.190 nan 0.000 0.428 3159 V N 5.414 125.128 119.914 -0.333 0.000 2.378 3159 V HA 0.577 4.685 4.120 -0.019 0.000 0.288 3159 V C -0.292 175.614 176.094 -0.313 0.000 1.016 3159 V CA -0.533 61.575 62.300 -0.320 0.000 0.840 3159 V CB 1.794 33.407 31.823 -0.351 0.000 0.994 3159 V HN 0.640 nan 8.190 nan 0.000 0.431 3160 V N 4.704 124.423 119.914 -0.326 0.000 2.769 3160 V HA 0.905 5.013 4.120 -0.019 0.000 0.312 3160 V C -0.369 175.605 176.094 -0.199 0.000 1.061 3160 V CA 0.179 62.267 62.300 -0.352 0.000 0.931 3160 V CB 2.520 34.045 31.823 -0.497 0.000 1.010 3160 V HN 0.970 nan 8.190 nan 0.000 0.433 3161 T N 2.326 116.717 114.554 -0.273 0.000 2.864 3161 T HA 0.484 4.822 4.350 -0.019 0.000 0.299 3161 T C -0.764 173.575 174.700 -0.601 0.000 1.166 3161 T CA 0.200 62.070 62.100 -0.384 0.000 1.007 3161 T CB 1.838 70.540 68.868 -0.277 0.000 1.219 3161 T HN 0.953 nan 8.240 nan 0.000 0.506 3162 D N -0.005 119.877 120.400 -0.863 0.000 2.513 3162 D HA 0.240 4.868 4.640 -0.019 0.000 0.222 3162 D C 1.347 177.448 176.300 -0.331 0.000 1.210 3162 D CA 0.577 54.252 54.000 -0.542 0.000 0.825 3162 D CB -0.312 40.167 40.800 -0.535 0.000 1.037 3162 D HN 1.112 nan 8.370 nan 0.000 0.506 3163 G N 1.540 110.152 108.800 -0.313 0.000 2.187 3163 G HA2 -0.429 3.519 3.960 -0.019 0.000 0.261 3163 G HA3 -0.429 3.519 3.960 -0.019 0.000 0.261 3163 G C 0.743 175.557 174.900 -0.144 0.000 1.000 3163 G CA 0.854 45.846 45.100 -0.180 0.000 0.718 3163 G HN 0.533 nan 8.290 nan 0.000 0.519 3164 E N -0.431 119.665 120.200 -0.173 0.000 2.230 3164 E HA 0.060 4.399 4.350 -0.019 0.000 0.192 3164 E C 1.654 178.209 176.600 -0.075 0.000 0.987 3164 E CA 0.352 56.685 56.400 -0.112 0.000 0.841 3164 E CB 0.076 29.715 29.700 -0.102 0.000 0.783 3164 E HN 0.397 nan 8.360 nan 0.000 0.481 3165 R N 1.365 121.822 120.500 -0.071 0.000 2.629 3165 R HA 0.195 4.523 4.340 -0.019 0.000 0.277 3165 R C -1.029 175.240 176.300 -0.051 0.000 1.637 3165 R CA -0.492 55.582 56.100 -0.043 0.000 1.663 3165 R CB 0.256 30.548 30.300 -0.012 0.000 1.228 3165 R HN 0.099 nan 8.270 nan 0.000 0.632 3166 I N 5.593 126.126 120.570 -0.062 0.000 2.406 3166 I HA 0.045 4.203 4.170 -0.019 0.000 0.293 3166 I C 1.474 177.553 176.117 -0.063 0.000 1.101 3166 I CA 0.393 61.652 61.300 -0.067 0.000 1.334 3166 I CB -0.517 37.442 38.000 -0.068 0.000 1.421 3166 I HN 0.644 nan 8.210 nan 0.000 0.513 3167 L N 5.182 126.367 121.223 -0.064 0.000 6.223 3167 L HA -0.315 4.014 4.340 -0.019 0.000 0.053 3167 L C 1.436 178.273 176.870 -0.055 0.000 2.244 3167 L CA 1.406 56.204 54.840 -0.069 0.000 1.647 3167 L CB -1.587 40.417 42.059 -0.091 0.000 2.769 3167 L HN 0.680 nan 8.230 nan 0.000 1.016 3168 G N -1.360 107.405 108.800 -0.057 0.000 3.393 3168 G HA2 0.409 4.357 3.960 -0.019 0.000 0.255 3168 G HA3 0.409 4.357 3.960 -0.019 0.000 0.255 3168 G C 0.708 175.581 174.900 -0.045 0.000 1.097 3168 G CA -0.086 44.985 45.100 -0.048 0.000 0.780 3168 G HN 0.201 nan 8.290 nan 0.000 0.540 3169 L N 0.411 121.606 121.223 -0.047 0.000 2.418 3169 L HA 0.342 4.670 4.340 -0.019 0.000 0.218 3169 L C 1.790 178.638 176.870 -0.037 0.000 1.125 3169 L CA 1.127 55.943 54.840 -0.040 0.000 0.835 3169 L CB -0.729 41.305 42.059 -0.042 0.000 0.953 3169 L HN 0.417 nan 8.230 nan 0.000 0.454 3170 G N -0.913 107.863 108.800 -0.041 0.000 2.482 3170 G HA2 -0.243 3.705 3.960 -0.019 0.000 0.214 3170 G HA3 -0.243 3.705 3.960 -0.019 0.000 0.214 3170 G C -0.567 174.303 174.900 -0.049 0.000 1.271 3170 G CA -0.164 44.911 45.100 -0.042 0.000 0.944 3170 G HN 0.111 nan 8.290 nan 0.000 0.568 3171 D N 1.118 121.484 120.400 -0.055 0.000 2.352 3171 D HA 0.441 5.070 4.640 -0.019 0.000 0.245 3171 D C 1.257 177.515 176.300 -0.069 0.000 1.224 3171 D CA -0.058 53.901 54.000 -0.069 0.000 0.879 3171 D CB 0.381 41.133 40.800 -0.080 0.000 1.057 3171 D HN 0.392 nan 8.370 nan 0.000 0.491 3172 L N 3.220 124.414 121.223 -0.048 0.000 2.959 3172 L HA 0.270 4.598 4.340 -0.019 0.000 0.259 3172 L C 1.628 178.508 176.870 0.017 0.000 1.185 3172 L CA -0.150 54.684 54.840 -0.009 0.000 0.998 3172 L CB 0.066 42.163 42.059 0.064 0.000 1.337 3172 L HN 0.623 nan 8.230 nan 0.000 0.555 3173 G N 0.890 109.681 108.800 -0.014 0.000 2.614 3173 G HA2 -0.366 3.583 3.960 -0.019 0.000 0.303 3173 G HA3 -0.366 3.583 3.960 -0.019 0.000 0.303 3173 G C 0.818 175.780 174.900 0.104 0.000 1.270 3173 G CA 0.301 45.440 45.100 0.065 0.000 0.988 3173 G HN -0.078 nan 8.290 nan 0.000 0.551 3174 V N 0.609 120.616 119.914 0.157 0.000 2.867 3174 V HA -0.117 3.992 4.120 -0.019 0.000 0.260 3174 V C 2.250 178.499 176.094 0.258 0.000 1.099 3174 V CA 2.462 64.834 62.300 0.120 0.000 1.122 3174 V CB -0.834 30.960 31.823 -0.049 0.000 0.708 3174 V HN 0.544 nan 8.190 nan 0.000 0.490 3175 Y N 0.604 120.976 120.300 0.120 0.000 2.574 3175 Y HA 0.017 4.555 4.550 -0.020 0.000 0.294 3175 Y C 1.908 177.660 175.900 -0.247 0.000 1.142 3175 Y CA -0.184 57.944 58.100 0.047 0.000 1.314 3175 Y CB -0.042 38.517 38.460 0.166 0.000 0.991 3175 Y HN 0.440 nan 8.280 nan 0.000 0.555 3179 I N 2.014 122.510 120.570 -0.123 0.000 2.163 3179 I HA -0.002 4.157 4.170 -0.019 0.000 0.240 3179 I C -0.197 175.893 176.117 -0.045 0.000 1.081 3179 I CA 1.222 62.488 61.300 -0.056 0.000 1.353 3179 I CB -1.715 36.231 38.000 -0.089 0.000 1.054 3179 I HN 0.020 nan 8.210 nan 0.000 0.407 3180 P HA -0.131 nan 4.420 nan 0.000 0.216 3180 P C 2.210 179.443 177.300 -0.111 0.000 1.150 3180 P CA 1.113 64.121 63.100 -0.154 0.000 0.837 3180 P CB 0.001 31.566 31.700 -0.226 0.000 0.786 3181 V N -0.283 119.597 119.914 -0.057 0.000 2.427 3181 V HA -0.106 4.002 4.120 -0.019 0.000 0.248 3181 V C 2.089 178.229 176.094 0.076 0.000 1.051 3181 V CA 2.622 64.922 62.300 0.000 0.000 1.048 3181 V CB -1.481 30.376 31.823 0.056 0.000 0.666 3181 V HN 0.143 nan 8.190 nan 0.000 0.456 3182 G N -0.265 108.613 108.800 0.130 0.000 2.404 3182 G HA2 -0.181 3.767 3.960 -0.019 0.000 0.215 3182 G HA3 -0.181 3.767 3.960 -0.019 0.000 0.215 3182 G C 1.632 176.666 174.900 0.224 0.000 1.174 3182 G CA 0.725 45.964 45.100 0.232 0.000 0.780 3182 G HN 0.450 nan 8.290 nan 0.000 0.537 3183 K N 0.408 120.904 120.400 0.161 0.000 2.032 3183 K HA 0.046 4.354 4.320 -0.019 0.000 0.209 3183 K C 2.504 179.204 176.600 0.166 0.000 1.048 3183 K CA 0.634 56.999 56.287 0.130 0.000 0.927 3183 K CB -0.754 31.660 32.500 -0.144 0.000 0.712 3183 K HN 0.332 nan 8.250 nan 0.000 0.441 3184 L N 0.580 121.785 121.223 -0.030 0.000 2.191 3184 L HA -0.205 4.123 4.340 -0.019 0.000 0.212 3184 L C 2.582 179.521 176.870 0.115 0.000 1.103 3184 L CA 0.662 55.429 54.840 -0.123 0.000 0.769 3184 L CB -0.476 41.437 42.059 -0.244 0.000 0.908 3184 L HN 0.177 nan 8.230 nan 0.000 0.438 3185 C N -0.284 119.139 119.300 0.204 0.000 2.440 3185 C HA -0.117 4.331 4.460 -0.019 0.000 0.278 3185 C C 2.635 177.798 174.990 0.289 0.000 1.295 3185 C CA 0.378 59.603 59.018 0.346 0.000 1.738 3185 C CB -0.715 27.229 27.740 0.339 0.000 1.987 3185 C HN 0.453 nan 8.230 nan 0.000 0.492 3186 L N -1.147 120.215 121.223 0.231 0.000 2.217 3186 L HA -0.098 4.231 4.340 -0.019 0.000 0.211 3186 L C 2.409 179.397 176.870 0.198 0.000 1.107 3186 L CA 1.149 56.071 54.840 0.137 0.000 0.783 3186 L CB -0.647 41.435 42.059 0.038 0.000 0.919 3186 L HN 0.297 nan 8.230 nan 0.000 0.442 3187 Y N 0.784 121.165 120.300 0.135 0.000 2.128 3187 Y HA -0.270 4.269 4.550 -0.019 0.000 0.284 3187 Y C 2.851 178.723 175.900 -0.047 0.000 1.154 3187 Y CA 1.994 60.147 58.100 0.089 0.000 1.149 3187 Y CB -0.712 37.787 38.460 0.065 0.000 0.976 3187 Y HN 0.099 nan 8.280 nan 0.000 0.505 3188 T N -0.560 114.027 114.554 0.054 0.000 2.770 3188 T HA -0.095 4.243 4.350 -0.019 0.000 0.258 3188 T C 2.176 176.768 174.700 -0.180 0.000 1.039 3188 T CA 1.230 63.191 62.100 -0.232 0.000 1.143 3188 T CB -0.669 67.748 68.868 -0.751 0.000 0.866 3188 T HN 0.371 nan 8.240 nan 0.000 0.428 3189 A N 0.404 123.189 122.820 -0.057 0.000 1.933 3189 A HA -0.099 4.209 4.320 -0.019 0.000 0.218 3189 A C 2.609 180.174 177.584 -0.032 0.000 1.175 3189 A CA 1.498 53.550 52.037 0.026 0.000 0.628 3189 A CB -1.135 17.917 19.000 0.086 0.000 0.814 3189 A HN 0.636 nan 8.150 nan 0.000 0.444 3190 C N -1.958 117.303 119.300 -0.064 0.000 2.538 3190 C HA 0.409 4.857 4.460 -0.019 0.000 0.281 3190 C C 2.846 177.779 174.990 -0.096 0.000 1.320 3190 C CA 0.638 59.589 59.018 -0.112 0.000 1.714 3190 C CB -0.734 26.886 27.740 -0.200 0.000 2.095 3190 C HN 0.673 nan 8.230 nan 0.000 0.497 3191 A N -0.561 122.205 122.820 -0.090 0.000 2.390 3191 A HA 0.496 4.805 4.320 -0.019 0.000 0.232 3191 A C 1.538 179.098 177.584 -0.039 0.000 1.233 3191 A CA 0.963 52.952 52.037 -0.080 0.000 0.907 3191 A CB -0.615 18.310 19.000 -0.124 0.000 0.967 3191 A HN 1.193 nan 8.150 nan 0.000 0.512 3192 G N 0.061 108.854 108.800 -0.012 0.000 2.198 3192 G HA2 -0.240 3.709 3.960 -0.019 0.000 0.260 3192 G HA3 -0.240 3.709 3.960 -0.019 0.000 0.260 3192 G C 0.088 175.020 174.900 0.053 0.000 1.025 3192 G CA 0.423 45.556 45.100 0.055 0.000 0.769 3192 G HN 0.506 nan 8.290 nan 0.000 0.507 3193 I N 0.446 121.007 120.570 -0.013 0.000 2.496 3193 I HA 0.171 4.329 4.170 -0.019 0.000 0.285 3193 I C 1.348 177.359 176.117 -0.178 0.000 1.080 3193 I CA -0.616 60.669 61.300 -0.026 0.000 1.404 3193 I CB 0.581 38.629 38.000 0.080 0.000 1.403 3193 I HN 0.094 nan 8.210 nan 0.000 0.539 3194 R N 7.511 127.891 120.500 -0.200 0.000 2.480 3194 R HA -0.013 4.316 4.340 -0.019 0.000 0.303 3194 R C -1.599 174.410 176.300 -0.485 0.000 0.985 3194 R CA -0.908 54.913 56.100 -0.464 0.000 1.051 3194 R CB -0.019 30.147 30.300 -0.223 0.000 0.935 3194 R HN 0.409 nan 8.270 nan 0.000 0.410 3195 P HA -0.217 nan 4.420 nan 0.000 0.216 3195 P C 0.537 177.700 177.300 -0.229 0.000 1.153 3195 P CA 1.304 64.140 63.100 -0.439 0.000 0.858 3195 P CB 0.127 31.533 31.700 -0.489 0.000 0.789 3196 D N -0.878 119.393 120.400 -0.215 0.000 2.378 3196 D HA -0.153 4.476 4.640 -0.019 0.000 0.222 3196 D C 1.202 177.468 176.300 -0.057 0.000 0.980 3196 D CA 0.820 54.776 54.000 -0.073 0.000 0.907 3196 D CB -0.649 40.132 40.800 -0.032 0.000 0.899 3196 D HN 0.218 nan 8.370 nan 0.000 0.527 3197 R N -0.795 119.622 120.500 -0.138 0.000 2.546 3197 R HA 0.292 4.620 4.340 -0.019 0.000 0.320 3197 R C -0.398 175.774 176.300 -0.213 0.000 1.021 3197 R CA -0.314 55.678 56.100 -0.180 0.000 1.088 3197 R CB 0.496 30.664 30.300 -0.221 0.000 1.278 3197 R HN 0.093 nan 8.270 nan 0.000 0.557 3198 C N 1.158 120.344 119.300 -0.189 0.000 2.411 3198 C HA 0.593 5.042 4.460 -0.019 0.000 0.330 3198 C C -0.626 174.204 174.990 -0.266 0.000 1.224 3198 C CA -0.923 57.942 59.018 -0.255 0.000 1.770 3198 C CB 1.316 28.899 27.740 -0.261 0.000 2.297 3198 C HN 0.305 nan 8.230 nan 0.000 0.507 3199 L N 5.625 126.612 121.223 -0.393 0.000 2.504 3199 L HA 0.575 4.903 4.340 -0.019 0.000 0.265 3199 L C -2.795 173.771 176.870 -0.507 0.000 0.975 3199 L CA -1.643 52.864 54.840 -0.554 0.000 0.864 3199 L CB 1.609 43.232 42.059 -0.727 0.000 1.212 3199 L HN 0.397 nan 8.230 nan 0.000 0.416 3200 P HA 0.414 nan 4.420 nan 0.000 0.286 3200 P C -1.247 175.771 177.300 -0.471 0.000 1.269 3200 P CA -0.251 62.610 63.100 -0.399 0.000 0.787 3200 P CB 1.636 33.161 31.700 -0.292 0.000 0.920 3201 V N 3.436 123.093 119.914 -0.428 0.000 2.656 3201 V HA 0.414 4.523 4.120 -0.019 0.000 0.307 3201 V C -0.354 175.459 176.094 -0.468 0.000 1.051 3201 V CA -0.536 61.487 62.300 -0.461 0.000 0.893 3201 V CB 2.398 33.982 31.823 -0.398 0.000 0.999 3201 V HN 0.698 nan 8.190 nan 0.000 0.426 3202 C N 6.603 125.611 119.300 -0.487 0.000 2.340 3202 C HA 0.664 5.113 4.460 -0.019 0.000 0.323 3202 C C -0.589 174.226 174.990 -0.292 0.000 1.260 3202 C CA -0.518 58.278 59.018 -0.370 0.000 1.464 3202 C CB -0.043 27.512 27.740 -0.307 0.000 2.156 3202 C HN 0.711 nan 8.230 nan 0.000 0.476 3203 I N 5.400 125.789 120.570 -0.301 0.000 2.304 3203 I HA 0.287 4.445 4.170 -0.019 0.000 0.291 3203 I C -0.008 176.052 176.117 -0.094 0.000 1.018 3203 I CA 0.274 61.438 61.300 -0.227 0.000 1.260 3203 I CB 1.062 38.905 38.000 -0.261 0.000 1.390 3203 I HN 0.692 nan 8.210 nan 0.000 0.475 3204 D N 6.534 126.919 120.400 -0.025 0.000 2.427 3204 D HA 0.329 4.958 4.640 -0.019 0.000 0.226 3204 D C 0.473 176.799 176.300 0.043 0.000 1.076 3204 D CA -0.350 53.657 54.000 0.012 0.000 0.849 3204 D CB 1.169 41.978 40.800 0.015 0.000 1.052 3204 D HN 0.322 nan 8.370 nan 0.000 0.515 3205 V N 1.684 121.636 119.914 0.064 0.000 3.070 3205 V HA 0.746 4.854 4.120 -0.019 0.000 0.345 3205 V C 0.775 176.897 176.094 0.046 0.000 1.403 3205 V CA 0.300 62.655 62.300 0.092 0.000 1.155 3205 V CB -0.300 31.641 31.823 0.195 0.000 1.140 3205 V HN 0.722 nan 8.190 nan 0.000 0.505 3206 G N -0.193 108.628 108.800 0.034 0.000 2.498 3206 G HA2 0.275 4.224 3.960 -0.019 0.000 0.651 3206 G HA3 0.275 4.224 3.960 -0.019 0.000 0.651 3206 G C -0.479 174.417 174.900 -0.007 0.000 1.284 3206 G CA -0.011 45.103 45.100 0.023 0.000 0.950 3206 G HN 1.254 nan 8.290 nan 0.000 0.511 3207 T N -1.183 113.345 114.554 -0.043 0.000 2.982 3207 T HA 0.566 4.905 4.350 -0.019 0.000 0.321 3207 T C -0.641 173.994 174.700 -0.109 0.000 1.229 3207 T CA 0.196 62.237 62.100 -0.097 0.000 1.044 3207 T CB 1.668 70.432 68.868 -0.173 0.000 1.184 3207 T HN 0.423 nan 8.240 nan 0.000 0.477 3208 D N 2.062 122.401 120.400 -0.102 0.000 2.328 3208 D HA 0.115 4.744 4.640 -0.019 0.000 0.221 3208 D C 0.429 176.670 176.300 -0.099 0.000 1.072 3208 D CA 0.048 53.996 54.000 -0.087 0.000 0.850 3208 D CB 0.167 40.925 40.800 -0.070 0.000 0.922 3208 D HN 0.408 nan 8.370 nan 0.000 0.516 3209 N N 1.891 120.509 118.700 -0.137 0.000 2.405 3209 N HA -0.035 4.694 4.740 -0.019 0.000 0.260 3209 N C 1.079 176.498 175.510 -0.152 0.000 1.152 3209 N CA -0.169 52.796 53.050 -0.143 0.000 0.948 3209 N CB 0.515 38.890 38.487 -0.187 0.000 1.111 3209 N HN -0.116 nan 8.380 nan 0.000 0.485 3210 I N 2.993 123.504 120.570 -0.100 0.000 2.394 3210 I HA -0.180 3.978 4.170 -0.019 0.000 0.251 3210 I C 2.122 178.190 176.117 -0.082 0.000 1.136 3210 I CA 0.725 61.976 61.300 -0.081 0.000 1.425 3210 I CB -1.594 36.375 38.000 -0.052 0.000 1.079 3210 I HN 0.575 nan 8.210 nan 0.000 0.425 3211 A N 0.759 123.531 122.820 -0.079 0.000 1.933 3211 A HA -0.125 4.183 4.320 -0.019 0.000 0.218 3211 A C 2.376 179.910 177.584 -0.084 0.000 1.175 3211 A CA 1.143 53.148 52.037 -0.053 0.000 0.628 3211 A CB -0.669 18.315 19.000 -0.026 0.000 0.814 3211 A HN 0.393 nan 8.150 nan 0.000 0.444 3212 L N -0.660 120.439 121.223 -0.208 0.000 2.156 3212 L HA -0.075 4.254 4.340 -0.019 0.000 0.208 3212 L C 2.203 178.865 176.870 -0.347 0.000 1.095 3212 L CA 0.658 55.252 54.840 -0.410 0.000 0.770 3212 L CB -0.484 41.049 42.059 -0.877 0.000 0.914 3212 L HN 0.352 nan 8.230 nan 0.000 0.439 3213 L N 0.497 121.586 121.223 -0.224 0.000 2.456 3213 L HA -0.164 4.165 4.340 -0.019 0.000 0.224 3213 L C 2.113 179.037 176.870 0.089 0.000 1.148 3213 L CA 1.079 55.923 54.840 0.006 0.000 0.825 3213 L CB -0.331 41.715 42.059 -0.020 0.000 0.937 3213 L HN 0.409 nan 8.230 nan 0.000 0.450 3214 K N -1.785 118.627 120.400 0.020 0.000 2.413 3214 K HA 0.098 4.407 4.320 -0.019 0.000 0.204 3214 K C 0.172 176.785 176.600 0.022 0.000 1.041 3214 K CA -0.346 55.937 56.287 -0.007 0.000 1.082 3214 K CB 0.350 32.834 32.500 -0.028 0.000 0.871 3214 K HN -0.126 nan 8.250 nan 0.000 0.535 3215 D N 3.115 123.574 120.400 0.099 0.000 2.316 3215 D HA 0.107 4.736 4.640 -0.019 0.000 0.245 3215 D C -1.460 174.930 176.300 0.150 0.000 1.171 3215 D CA -2.370 51.707 54.000 0.128 0.000 0.856 3215 D CB 1.784 42.714 40.800 0.217 0.000 1.090 3215 D HN 0.028 nan 8.370 nan 0.000 0.476 3216 P HA -0.047 nan 4.420 nan 0.000 0.234 3216 P C 0.692 177.896 177.300 -0.161 0.000 1.167 3216 P CA 0.422 63.411 63.100 -0.184 0.000 0.763 3216 P CB 0.050 31.489 31.700 -0.435 0.000 0.835 3217 F N -2.238 117.783 119.950 0.117 0.000 2.695 3217 F HA 0.216 4.731 4.527 -0.019 0.000 0.303 3217 F C 1.558 177.479 175.800 0.203 0.000 1.091 3217 F CA -1.477 56.558 58.000 0.058 0.000 1.300 3217 F CB -1.112 37.795 39.000 -0.155 0.000 1.071 3217 F HN -0.139 nan 8.300 nan 0.000 0.578 3221 L N 0.411 121.512 121.223 -0.204 0.000 2.490 3221 L HA 0.278 4.607 4.340 -0.019 0.000 0.274 3221 L C -0.056 176.813 176.870 -0.003 0.000 1.201 3221 L CA -0.052 54.744 54.840 -0.074 0.000 0.869 3221 L CB -0.076 41.984 42.059 0.002 0.000 1.123 3221 L HN 0.488 nan 8.230 nan 0.000 0.484 3222 Y N 3.972 124.326 120.300 0.090 0.000 2.667 3222 Y HA 0.281 4.819 4.550 -0.019 0.000 0.340 3222 Y C 0.509 176.425 175.900 0.028 0.000 1.303 3222 Y CA -0.280 57.866 58.100 0.077 0.000 1.769 3222 Y CB -0.201 38.287 38.460 0.045 0.000 1.804 3222 Y HN 0.584 nan 8.280 nan 0.000 0.451 3223 Q N -0.526 119.352 119.800 0.130 0.000 2.482 3223 Q HA 0.473 4.801 4.340 -0.019 0.000 0.286 3223 Q C -1.293 174.723 176.000 0.028 0.000 1.007 3223 Q CA -1.487 54.359 55.803 0.072 0.000 0.801 3223 Q CB 1.537 30.313 28.738 0.063 0.000 1.455 3223 Q HN -0.038 nan 8.270 nan 0.000 0.398 3224 K N 1.256 121.661 120.400 0.009 0.000 2.276 3224 K HA 0.239 4.548 4.320 -0.019 0.000 0.259 3224 K C -0.159 176.430 176.600 -0.018 0.000 1.001 3224 K CA -0.233 56.044 56.287 -0.017 0.000 0.927 3224 K CB 0.409 32.898 32.500 -0.018 0.000 0.969 3224 K HN 0.557 nan 8.250 nan 0.000 0.490 3225 R N 1.660 122.135 120.500 -0.042 0.000 2.538 3225 R HA -0.061 4.267 4.340 -0.019 0.000 0.282 3225 R C 0.219 176.489 176.300 -0.049 0.000 1.009 3225 R CA 0.130 56.195 56.100 -0.058 0.000 1.063 3225 R CB 0.234 30.470 30.300 -0.107 0.000 0.945 3225 R HN 0.461 nan 8.270 nan 0.000 0.414 3226 D N 2.791 123.179 120.400 -0.020 0.000 2.325 3226 D HA 0.021 4.649 4.640 -0.019 0.000 0.251 3226 D C 0.150 176.434 176.300 -0.027 0.000 1.196 3226 D CA 0.124 54.135 54.000 0.018 0.000 0.866 3226 D CB 0.686 41.538 40.800 0.087 0.000 1.101 3226 D HN 0.429 nan 8.370 nan 0.000 0.476 3227 R N 1.951 122.437 120.500 -0.024 0.000 2.546 3227 R HA 0.112 4.440 4.340 -0.019 0.000 0.320 3227 R C 0.840 177.179 176.300 0.064 0.000 1.021 3227 R CA -0.283 55.790 56.100 -0.044 0.000 1.088 3227 R CB 0.618 30.876 30.300 -0.071 0.000 1.278 3227 R HN 0.466 nan 8.270 nan 0.000 0.557 3228 T N -2.375 112.241 114.554 0.104 0.000 2.771 3228 T HA -0.033 4.306 4.350 -0.019 0.000 0.290 3228 T C 1.240 176.052 174.700 0.186 0.000 1.005 3228 T CA -0.621 61.550 62.100 0.120 0.000 0.944 3228 T CB 1.236 70.161 68.868 0.094 0.000 1.147 3228 T HN -0.018 nan 8.240 nan 0.000 0.534 3229 Q N -0.129 119.763 119.800 0.153 0.000 2.297 3229 Q HA -0.196 4.132 4.340 -0.019 0.000 0.208 3229 Q C 1.954 178.058 176.000 0.174 0.000 0.981 3229 Q CA 1.528 57.430 55.803 0.164 0.000 0.876 3229 Q CB -0.315 28.492 28.738 0.116 0.000 0.921 3229 Q HN 0.809 nan 8.270 nan 0.000 0.446 3230 Q N -0.803 119.096 119.800 0.165 0.000 2.226 3230 Q HA -0.186 4.143 4.340 -0.019 0.000 0.204 3230 Q C 1.706 177.825 176.000 0.199 0.000 0.975 3230 Q CA 1.361 57.255 55.803 0.152 0.000 0.866 3230 Q CB -0.194 28.621 28.738 0.128 0.000 0.915 3230 Q HN 0.477 nan 8.270 nan 0.000 0.440 3231 Y N 1.994 122.376 120.300 0.136 0.000 2.133 3231 Y HA -0.209 4.329 4.550 -0.019 0.000 0.287 3231 Y C 1.461 177.507 175.900 0.244 0.000 1.134 3231 Y CA 1.842 60.049 58.100 0.178 0.000 1.133 3231 Y CB -0.173 38.404 38.460 0.194 0.000 0.987 3231 Y HN 0.045 nan 8.280 nan 0.000 0.502 3232 D N 0.024 120.543 120.400 0.199 0.000 2.117 3232 D HA -0.177 4.451 4.640 -0.019 0.000 0.197 3232 D C 1.769 178.125 176.300 0.094 0.000 0.987 3232 D CA 1.826 55.930 54.000 0.173 0.000 0.829 3232 D CB -0.515 40.449 40.800 0.273 0.000 0.961 3232 D HN 0.544 nan 8.370 nan 0.000 0.460 3233 D N -0.758 119.703 120.400 0.101 0.000 2.144 3233 D HA -0.127 4.501 4.640 -0.019 0.000 0.199 3233 D C 1.913 178.241 176.300 0.047 0.000 0.984 3233 D CA 0.465 54.512 54.000 0.079 0.000 0.834 3233 D CB -0.010 40.837 40.800 0.078 0.000 0.955 3233 D HN 0.024 nan 8.370 nan 0.000 0.465 3234 L N 0.357 121.595 121.223 0.026 0.000 2.017 3234 L HA -0.108 4.220 4.340 -0.019 0.000 0.208 3234 L C 1.962 178.820 176.870 -0.021 0.000 1.073 3234 L CA 1.347 56.192 54.840 0.009 0.000 0.745 3234 L CB -0.400 41.667 42.059 0.014 0.000 0.894 3234 L HN 0.176 nan 8.230 nan 0.000 0.432 3235 I N -0.435 120.065 120.570 -0.117 0.000 2.226 3235 I HA -0.266 3.893 4.170 -0.019 0.000 0.245 3235 I C 2.158 178.255 176.117 -0.032 0.000 1.100 3235 I CA 1.255 62.469 61.300 -0.144 0.000 1.374 3235 I CB -1.458 36.276 38.000 -0.443 0.000 1.057 3235 I HN 0.319 nan 8.210 nan 0.000 0.413 3236 D N 0.765 121.189 120.400 0.040 0.000 2.104 3236 D HA -0.217 4.411 4.640 -0.019 0.000 0.194 3236 D C 2.116 178.426 176.300 0.016 0.000 0.994 3236 D CA 1.198 55.257 54.000 0.098 0.000 0.830 3236 D CB -0.147 40.744 40.800 0.152 0.000 0.959 3236 D HN 0.419 nan 8.370 nan 0.000 0.452 3237 E N -0.714 119.501 120.200 0.026 0.000 2.110 3237 E HA -0.147 4.192 4.350 -0.019 0.000 0.193 3237 E C 0.944 177.535 176.600 -0.015 0.000 0.988 3237 E CA 0.089 56.495 56.400 0.009 0.000 0.804 3237 E CB -0.008 29.706 29.700 0.025 0.000 0.745 3237 E HN 0.112 nan 8.360 nan 0.000 0.458 3241 A N 2.162 124.854 122.820 -0.214 0.000 1.877 3241 A HA -0.079 4.229 4.320 -0.019 0.000 0.216 3241 A C 1.914 179.359 177.584 -0.233 0.000 1.186 3241 A CA 1.458 53.389 52.037 -0.177 0.000 0.620 3241 A CB -0.472 18.456 19.000 -0.120 0.000 0.822 3241 A HN 0.313 nan 8.150 nan 0.000 0.443 3242 I N 0.878 121.214 120.570 -0.391 0.000 2.163 3242 I HA -0.220 3.938 4.170 -0.019 0.000 0.243 3242 I C 2.844 178.860 176.117 -0.169 0.000 1.085 3242 I CA 2.413 63.519 61.300 -0.324 0.000 1.347 3242 I CB -1.593 36.025 38.000 -0.636 0.000 1.044 3242 I HN 0.587 nan 8.210 nan 0.000 0.408 3243 T N -2.381 112.038 114.554 -0.225 0.000 2.904 3243 T HA -0.113 4.225 4.350 -0.019 0.000 0.267 3243 T C 1.570 176.243 174.700 -0.046 0.000 1.059 3243 T CA 1.010 63.059 62.100 -0.086 0.000 1.137 3243 T CB -0.300 68.551 68.868 -0.028 0.000 0.879 3243 T HN 0.128 nan 8.240 nan 0.000 0.467 3244 D N 1.114 121.465 120.400 -0.081 0.000 2.178 3244 D HA -0.024 4.605 4.640 -0.019 0.000 0.201 3244 D C 2.231 178.467 176.300 -0.107 0.000 0.980 3244 D CA 0.802 54.761 54.000 -0.068 0.000 0.842 3244 D CB -0.217 40.542 40.800 -0.069 0.000 0.948 3244 D HN 0.455 nan 8.370 nan 0.000 0.472 3245 R N -0.984 119.400 120.500 -0.194 0.000 2.090 3245 R HA -0.018 4.311 4.340 -0.019 0.000 0.219 3245 R C 1.415 177.500 176.300 -0.358 0.000 1.100 3245 R CA 0.673 56.561 56.100 -0.353 0.000 0.991 3245 R CB 0.063 29.995 30.300 -0.614 0.000 0.893 3245 R HN 0.243 nan 8.270 nan 0.000 0.443 3246 Y N -0.783 119.509 120.300 -0.013 0.000 2.458 3246 Y HA 0.367 4.905 4.550 -0.020 0.000 0.254 3246 Y C 0.583 176.501 175.900 0.030 0.000 1.120 3246 Y CA 0.091 58.204 58.100 0.022 0.000 1.282 3246 Y CB 1.566 40.026 38.460 -0.000 0.000 1.109 3246 Y HN 0.298 nan 8.280 nan 0.000 0.526 3247 G N 0.465 109.341 108.800 0.127 0.000 2.528 3247 G HA2 -0.141 3.808 3.960 -0.019 0.000 0.681 3247 G HA3 -0.141 3.808 3.960 -0.019 0.000 0.681 3247 G C -0.319 174.620 174.900 0.065 0.000 1.340 3247 G CA -0.742 44.412 45.100 0.091 0.000 0.855 3247 G HN 0.116 nan 8.290 nan 0.000 0.649 3248 R N 0.389 120.920 120.500 0.052 0.000 2.235 3248 R HA -0.035 4.293 4.340 -0.019 0.000 0.213 3248 R C 1.991 178.317 176.300 0.044 0.000 1.059 3248 R CA 1.805 57.946 56.100 0.068 0.000 0.997 3248 R CB -0.062 30.261 30.300 0.038 0.000 0.884 3248 R HN 0.581 nan 8.270 nan 0.000 0.462 3249 N N -1.370 117.340 118.700 0.018 0.000 2.251 3249 N HA -0.010 4.719 4.740 -0.019 0.000 0.217 3249 N C -0.805 174.720 175.510 0.025 0.000 1.124 3249 N CA -0.131 52.918 53.050 -0.001 0.000 0.843 3249 N CB 0.326 38.807 38.487 -0.011 0.000 1.024 3249 N HN -0.184 nan 8.380 nan 0.000 0.501 3250 T N 1.627 116.197 114.554 0.028 0.000 2.867 3250 T HA 0.013 4.352 4.350 -0.019 0.000 0.297 3250 T C 0.276 174.983 174.700 0.012 0.000 0.989 3250 T CA -0.351 61.752 62.100 0.004 0.000 1.159 3250 T CB 0.496 69.352 68.868 -0.020 0.000 0.928 3250 T HN 0.274 nan 8.240 nan 0.000 0.538 3251 L N 5.458 126.704 121.223 0.038 0.000 2.418 3251 L HA 0.351 4.679 4.340 -0.019 0.000 0.274 3251 L C -0.548 176.365 176.870 0.071 0.000 1.135 3251 L CA -0.001 54.907 54.840 0.114 0.000 0.870 3251 L CB 0.095 42.265 42.059 0.186 0.000 1.154 3251 L HN 0.653 nan 8.230 nan 0.000 0.462 3252 I N 5.639 126.265 120.570 0.092 0.000 2.420 3252 I HA 0.220 4.378 4.170 -0.019 0.000 0.282 3252 I C -0.195 175.938 176.117 0.028 0.000 1.019 3252 I CA -0.285 61.019 61.300 0.007 0.000 1.130 3252 I CB 1.680 39.655 38.000 -0.041 0.000 1.262 3252 I HN 0.591 nan 8.210 nan 0.000 0.454 3253 Q N 6.193 125.919 119.800 -0.122 0.000 2.331 3253 Q HA 0.390 4.718 4.340 -0.019 0.000 0.257 3253 Q C -1.333 174.494 176.000 -0.288 0.000 0.957 3253 Q CA -0.644 54.918 55.803 -0.402 0.000 0.923 3253 Q CB 0.915 29.411 28.738 -0.403 0.000 1.212 3253 Q HN 0.411 nan 8.270 nan 0.000 0.443 3254 F N 2.799 122.503 119.950 -0.410 0.000 2.427 3254 F HA 0.254 4.770 4.527 -0.019 0.000 0.352 3254 F C 0.343 176.054 175.800 -0.147 0.000 1.100 3254 F CA -0.144 57.710 58.000 -0.243 0.000 1.191 3254 F CB 1.219 39.992 39.000 -0.378 0.000 1.128 3254 F HN 0.554 nan 8.300 nan 0.000 0.533 3255 E N 1.884 122.176 120.200 0.153 0.000 2.275 3255 E HA 0.316 4.654 4.350 -0.019 0.000 0.270 3255 E C -1.193 175.506 176.600 0.165 0.000 0.882 3255 E CA -0.530 55.922 56.400 0.087 0.000 0.758 3255 E CB 0.897 30.558 29.700 -0.065 0.000 1.195 3255 E HN 0.472 nan 8.360 nan 0.000 0.419 3256 D N 2.459 122.928 120.400 0.115 0.000 2.689 3256 D HA -0.226 4.402 4.640 -0.019 0.000 0.237 3256 D C -0.923 175.415 176.300 0.063 0.000 1.148 3256 D CA 0.946 54.978 54.000 0.054 0.000 0.656 3256 D CB -1.262 39.515 40.800 -0.039 0.000 1.050 3256 D HN 0.226 nan 8.370 nan 0.000 0.426 3257 F N 0.477 120.443 119.950 0.026 0.000 2.378 3257 F HA 0.547 5.063 4.527 -0.018 0.000 0.325 3257 F C 1.895 177.711 175.800 0.026 0.000 1.097 3257 F CA -0.033 58.018 58.000 0.084 0.000 1.079 3257 F CB 0.885 40.013 39.000 0.212 0.000 1.240 3257 F HN -0.032 nan 8.300 nan 0.000 0.519 3258 G N 1.466 110.386 108.800 0.201 0.000 2.614 3258 G HA2 -0.065 3.884 3.960 -0.019 0.000 0.239 3258 G HA3 -0.065 3.884 3.960 -0.019 0.000 0.239 3258 G C 0.963 175.927 174.900 0.107 0.000 1.240 3258 G CA -0.339 44.825 45.100 0.107 0.000 0.842 3258 G HN 0.747 nan 8.290 nan 0.000 0.584 3259 N N 0.277 119.029 118.700 0.086 0.000 2.036 3259 N HA -0.281 4.447 4.740 -0.019 0.000 0.199 3259 N C 1.812 177.433 175.510 0.185 0.000 1.036 3259 N CA 2.278 55.400 53.050 0.119 0.000 0.870 3259 N CB -0.463 38.107 38.487 0.138 0.000 1.055 3259 N HN 0.770 nan 8.380 nan 0.000 0.436 3260 H N 0.581 119.696 119.070 0.075 0.000 2.253 3260 H HA -0.012 4.533 4.556 -0.019 0.000 0.296 3260 H C 1.859 177.172 175.328 -0.025 0.000 1.074 3260 H CA 2.693 58.772 56.048 0.051 0.000 1.263 3260 H CB -0.707 29.060 29.762 0.008 0.000 1.363 3260 H HN 0.433 nan 8.280 nan 0.000 0.489 3261 N N -0.152 118.471 118.700 -0.128 0.000 2.137 3261 N HA -0.206 4.522 4.740 -0.019 0.000 0.190 3261 N C 2.024 177.270 175.510 -0.441 0.000 1.017 3261 N CA 0.929 53.729 53.050 -0.417 0.000 0.859 3261 N CB -0.206 38.286 38.487 0.009 0.000 1.002 3261 N HN 0.502 nan 8.380 nan 0.000 0.428 3262 A N 0.824 123.542 122.820 -0.170 0.000 1.865 3262 A HA -0.152 4.156 4.320 -0.019 0.000 0.217 3262 A C 1.855 179.185 177.584 -0.423 0.000 1.191 3262 A CA 1.317 53.192 52.037 -0.270 0.000 0.623 3262 A CB -0.949 17.865 19.000 -0.310 0.000 0.826 3262 A HN 0.237 nan 8.150 nan 0.000 0.444 3263 F N 0.372 120.138 119.950 -0.307 0.000 2.113 3263 F HA -0.150 4.365 4.527 -0.020 0.000 0.297 3263 F C 2.662 178.310 175.800 -0.254 0.000 1.103 3263 F CA 1.746 59.532 58.000 -0.357 0.000 1.248 3263 F CB -0.285 38.345 39.000 -0.617 0.000 0.999 3263 F HN 0.285 nan 8.300 nan 0.000 0.475 3264 R N -0.106 120.307 120.500 -0.145 0.000 2.152 3264 R HA -0.153 4.175 4.340 -0.019 0.000 0.232 3264 R C 1.988 178.204 176.300 -0.141 0.000 1.117 3264 R CA 1.662 57.657 56.100 -0.176 0.000 0.981 3264 R CB -1.382 28.712 30.300 -0.343 0.000 0.870 3264 R HN 0.285 nan 8.270 nan 0.000 0.451 3265 F N 1.025 120.823 119.950 -0.253 0.000 2.293 3265 F HA -0.009 4.506 4.527 -0.020 0.000 0.297 3265 F C 2.439 178.016 175.800 -0.372 0.000 1.089 3265 F CA 0.110 57.898 58.000 -0.354 0.000 1.377 3265 F CB 0.025 38.762 39.000 -0.438 0.000 1.051 3265 F HN -0.026 nan 8.300 nan 0.000 0.511 3266 L N 0.611 121.736 121.223 -0.163 0.000 1.976 3266 L HA -0.256 4.072 4.340 -0.019 0.000 0.209 3266 L C 2.773 179.632 176.870 -0.017 0.000 1.071 3266 L CA 1.524 56.282 54.840 -0.135 0.000 0.746 3266 L CB -0.439 41.536 42.059 -0.138 0.000 0.890 3266 L HN 0.096 nan 8.230 nan 0.000 0.432 3267 R N 0.295 120.803 120.500 0.014 0.000 2.091 3267 R HA -0.274 4.055 4.340 -0.019 0.000 0.238 3267 R C 2.387 178.670 176.300 -0.028 0.000 1.136 3267 R CA 2.176 58.302 56.100 0.043 0.000 0.959 3267 R CB -0.256 30.103 30.300 0.099 0.000 0.856 3267 R HN 0.296 nan 8.270 nan 0.000 0.437 3268 K N -0.715 119.609 120.400 -0.126 0.000 2.097 3268 K HA -0.168 4.141 4.320 -0.019 0.000 0.205 3268 K C 1.245 177.679 176.600 -0.277 0.000 1.050 3268 K CA 1.607 57.727 56.287 -0.278 0.000 0.938 3268 K CB 0.004 32.208 32.500 -0.493 0.000 0.718 3268 K HN 0.357 nan 8.250 nan 0.000 0.442 3269 Y N -0.067 120.270 120.300 0.062 0.000 2.462 3269 Y HA 0.113 4.651 4.550 -0.020 0.000 0.253 3269 Y C 1.982 177.970 175.900 0.147 0.000 1.095 3269 Y CA -0.191 57.990 58.100 0.135 0.000 1.283 3269 Y CB 0.264 38.832 38.460 0.180 0.000 1.138 3269 Y HN 0.029 nan 8.280 nan 0.000 0.522 3270 R N 0.666 121.305 120.500 0.231 0.000 2.211 3270 R HA -0.154 4.174 4.340 -0.019 0.000 0.240 3270 R C 0.900 177.340 176.300 0.234 0.000 1.144 3270 R CA 1.718 57.960 56.100 0.236 0.000 0.992 3270 R CB -0.228 30.175 30.300 0.172 0.000 0.869 3270 R HN 0.211 nan 8.270 nan 0.000 0.462 3271 E N 0.507 120.757 120.200 0.083 0.000 2.460 3271 E HA 0.071 4.409 4.350 -0.019 0.000 0.200 3271 E C 0.973 177.434 176.600 -0.231 0.000 1.011 3271 E CA 0.407 56.692 56.400 -0.192 0.000 0.912 3271 E CB 0.628 30.229 29.700 -0.165 0.000 0.953 3271 E HN 0.470 nan 8.360 nan 0.000 0.494 3272 K N -0.825 119.597 120.400 0.036 0.000 2.370 3272 K HA 0.160 4.468 4.320 -0.019 0.000 0.194 3272 K C 0.269 176.731 176.600 -0.231 0.000 1.070 3272 K CA 0.286 56.507 56.287 -0.111 0.000 0.998 3272 K CB 1.069 33.374 32.500 -0.324 0.000 0.911 3272 K HN -0.023 nan 8.250 nan 0.000 0.533 3273 Y N -0.899 119.580 120.300 0.298 0.000 2.698 3273 Y HA 0.272 4.810 4.550 -0.019 0.000 0.332 3273 Y C -0.372 175.564 175.900 0.059 0.000 1.119 3273 Y CA -1.378 56.785 58.100 0.104 0.000 1.109 3273 Y CB 1.412 39.898 38.460 0.044 0.000 1.308 3273 Y HN -0.182 nan 8.280 nan 0.000 0.499 3274 C N 2.083 121.486 119.300 0.172 0.000 2.135 3274 C HA 0.659 5.107 4.460 -0.019 0.000 0.345 3274 C C -0.117 175.010 174.990 0.229 0.000 1.067 3274 C CA 0.154 59.238 59.018 0.111 0.000 1.517 3274 C CB -1.953 25.810 27.740 0.038 0.000 1.923 3274 C HN 0.678 nan 8.230 nan 0.000 0.466 3275 T N 4.590 119.328 114.554 0.307 0.000 2.883 3275 T HA 0.806 5.145 4.350 -0.019 0.000 0.301 3275 T C -1.092 173.870 174.700 0.436 0.000 1.158 3275 T CA -0.359 61.946 62.100 0.340 0.000 1.007 3275 T CB 1.267 70.293 68.868 0.263 0.000 1.186 3275 T HN 0.848 nan 8.240 nan 0.000 0.499 3276 F N 1.531 121.607 119.950 0.211 0.000 2.686 3276 F HA 0.672 5.189 4.527 -0.017 0.000 0.311 3276 F C -1.241 174.631 175.800 0.121 0.000 1.128 3276 F CA -1.166 56.941 58.000 0.179 0.000 0.946 3276 F CB 1.418 40.632 39.000 0.356 0.000 1.336 3276 F HN 0.467 nan 8.300 nan 0.000 0.457 3277 N N 1.928 120.623 118.700 -0.010 0.000 2.446 3277 N HA 0.138 4.867 4.740 -0.019 0.000 0.265 3277 N C -0.226 175.249 175.510 -0.058 0.000 0.975 3277 N CA -0.114 52.845 53.050 -0.152 0.000 0.928 3277 N CB 1.604 39.971 38.487 -0.199 0.000 1.160 3277 N HN 0.964 nan 8.380 nan 0.000 0.495 3278 D N 2.161 122.494 120.400 -0.112 0.000 2.178 3278 D HA -0.096 4.533 4.640 -0.019 0.000 0.201 3278 D C 0.568 176.914 176.300 0.075 0.000 0.980 3278 D CA 1.325 55.386 54.000 0.102 0.000 0.842 3278 D CB 0.408 41.220 40.800 0.019 0.000 0.948 3278 D HN 0.552 nan 8.370 nan 0.000 0.472 3279 D N -0.789 119.606 120.400 -0.009 0.000 2.323 3279 D HA 0.015 4.643 4.640 -0.019 0.000 0.209 3279 D C 1.921 178.172 176.300 -0.082 0.000 0.973 3279 D CA 0.347 54.332 54.000 -0.025 0.000 0.874 3279 D CB 0.656 41.432 40.800 -0.040 0.000 0.930 3279 D HN 0.390 nan 8.370 nan 0.000 0.521 3280 I N 0.209 120.689 120.570 -0.149 0.000 2.685 3280 I HA -0.106 4.053 4.170 -0.019 0.000 0.251 3280 I C 2.166 178.182 176.117 -0.168 0.000 1.102 3280 I CA 0.453 61.633 61.300 -0.201 0.000 1.442 3280 I CB 0.169 37.960 38.000 -0.348 0.000 1.194 3280 I HN -0.219 nan 8.210 nan 0.000 0.448 3281 Q N 0.524 120.173 119.800 -0.253 0.000 2.226 3281 Q HA 0.088 4.417 4.340 -0.019 0.000 0.199 3281 Q C 2.238 177.964 176.000 -0.457 0.000 0.945 3281 Q CA 1.058 56.522 55.803 -0.566 0.000 0.861 3281 Q CB -0.128 27.900 28.738 -1.182 0.000 0.953 3281 Q HN 0.518 nan 8.270 nan 0.000 0.490 3282 G N 0.433 109.183 108.800 -0.084 0.000 2.421 3282 G HA2 -0.232 3.716 3.960 -0.019 0.000 0.216 3282 G HA3 -0.232 3.716 3.960 -0.019 0.000 0.216 3282 G C 1.410 176.426 174.900 0.194 0.000 1.171 3282 G CA 1.359 46.604 45.100 0.242 0.000 0.775 3282 G HN 0.227 nan 8.290 nan 0.000 0.543 3283 T N 1.549 116.184 114.554 0.135 0.000 2.833 3283 T HA 0.060 4.399 4.350 -0.019 0.000 0.269 3283 T C 2.782 177.560 174.700 0.130 0.000 1.054 3283 T CA 1.364 63.543 62.100 0.132 0.000 1.135 3283 T CB -0.295 68.631 68.868 0.096 0.000 0.869 3283 T HN 0.369 nan 8.240 nan 0.000 0.466 3284 A N 1.480 124.347 122.820 0.079 0.000 1.877 3284 A HA 0.112 4.420 4.320 -0.019 0.000 0.216 3284 A C 2.635 180.306 177.584 0.146 0.000 1.186 3284 A CA 1.865 53.959 52.037 0.094 0.000 0.620 3284 A CB -1.094 17.919 19.000 0.022 0.000 0.822 3284 A HN 0.506 nan 8.150 nan 0.000 0.443 3285 A N -1.010 121.907 122.820 0.163 0.000 1.930 3285 A HA 0.019 4.327 4.320 -0.019 0.000 0.217 3285 A C 2.297 180.007 177.584 0.211 0.000 1.175 3285 A CA 1.699 53.864 52.037 0.213 0.000 0.627 3285 A CB -0.919 18.271 19.000 0.318 0.000 0.815 3285 A HN 0.705 nan 8.150 nan 0.000 0.443 3286 V N -0.503 119.539 119.914 0.214 0.000 2.667 3286 V HA -0.037 4.072 4.120 -0.019 0.000 0.252 3286 V C 2.700 178.995 176.094 0.335 0.000 1.065 3286 V CA 1.804 64.240 62.300 0.227 0.000 1.083 3286 V CB -0.464 31.434 31.823 0.126 0.000 0.692 3286 V HN 0.584 nan 8.190 nan 0.000 0.468 3287 A N -0.117 122.885 122.820 0.304 0.000 1.873 3287 A HA -0.157 4.152 4.320 -0.019 0.000 0.215 3287 A C 2.099 179.897 177.584 0.355 0.000 1.186 3287 A CA 1.979 54.260 52.037 0.407 0.000 0.616 3287 A CB -0.749 18.458 19.000 0.344 0.000 0.823 3287 A HN 0.515 nan 8.150 nan 0.000 0.442 3288 L N 0.025 121.389 121.223 0.234 0.000 2.042 3288 L HA -0.138 4.190 4.340 -0.019 0.000 0.210 3288 L C 2.656 179.606 176.870 0.133 0.000 1.076 3288 L CA 2.297 57.229 54.840 0.153 0.000 0.749 3288 L CB -0.842 41.295 42.059 0.131 0.000 0.893 3288 L HN 0.364 nan 8.230 nan 0.000 0.432 3289 A N -0.706 122.217 122.820 0.171 0.000 1.940 3289 A HA -0.095 4.213 4.320 -0.019 0.000 0.219 3289 A C 2.338 179.911 177.584 -0.018 0.000 1.176 3289 A CA 1.621 53.723 52.037 0.108 0.000 0.631 3289 A CB -1.524 17.588 19.000 0.187 0.000 0.814 3289 A HN 0.547 nan 8.150 nan 0.000 0.446 3290 G N -0.446 108.386 108.800 0.053 0.000 2.404 3290 G HA2 -0.067 3.882 3.960 -0.019 0.000 0.215 3290 G HA3 -0.067 3.882 3.960 -0.019 0.000 0.215 3290 G C 1.336 176.296 174.900 0.099 0.000 1.174 3290 G CA 1.044 46.072 45.100 -0.120 0.000 0.780 3290 G HN 0.335 nan 8.290 nan 0.000 0.537 3291 L N 0.075 121.354 121.223 0.094 0.000 2.083 3291 L HA 0.055 4.384 4.340 -0.019 0.000 0.209 3291 L C 2.742 179.579 176.870 -0.055 0.000 1.083 3291 L CA 0.819 55.610 54.840 -0.081 0.000 0.752 3291 L CB -0.931 41.032 42.059 -0.162 0.000 0.899 3291 L HN 0.085 nan 8.230 nan 0.000 0.433 3292 L N -0.731 120.477 121.223 -0.025 0.000 2.046 3292 L HA -0.101 4.227 4.340 -0.019 0.000 0.208 3292 L C 2.599 179.455 176.870 -0.023 0.000 1.077 3292 L CA 1.898 56.728 54.840 -0.016 0.000 0.747 3292 L CB -1.500 40.558 42.059 -0.002 0.000 0.896 3292 L HN 0.245 nan 8.230 nan 0.000 0.432 3293 A N -0.856 121.930 122.820 -0.056 0.000 1.873 3293 A HA -0.112 4.196 4.320 -0.019 0.000 0.215 3293 A C 2.491 180.062 177.584 -0.023 0.000 1.186 3293 A CA 1.704 53.701 52.037 -0.066 0.000 0.616 3293 A CB -0.855 18.049 19.000 -0.159 0.000 0.823 3293 A HN 0.388 nan 8.150 nan 0.000 0.442 3294 A N -0.730 122.086 122.820 -0.007 0.000 1.883 3294 A HA -0.234 4.074 4.320 -0.019 0.000 0.217 3294 A C 2.154 179.755 177.584 0.028 0.000 1.186 3294 A CA 2.226 54.279 52.037 0.028 0.000 0.624 3294 A CB -0.600 18.418 19.000 0.031 0.000 0.822 3294 A HN 0.552 nan 8.150 nan 0.000 0.444 3295 Q N 0.185 119.996 119.800 0.019 0.000 2.181 3295 Q HA -0.145 4.183 4.340 -0.019 0.000 0.205 3295 Q C 1.828 177.857 176.000 0.047 0.000 0.980 3295 Q CA 2.118 57.954 55.803 0.054 0.000 0.862 3295 Q CB -0.393 28.383 28.738 0.063 0.000 0.905 3295 Q HN 0.655 nan 8.270 nan 0.000 0.429 3296 K N -0.736 119.682 120.400 0.029 0.000 2.283 3296 K HA -0.071 4.238 4.320 -0.019 0.000 0.202 3296 K C 1.570 178.187 176.600 0.029 0.000 1.048 3296 K CA 1.272 57.573 56.287 0.024 0.000 0.948 3296 K CB 0.153 32.660 32.500 0.012 0.000 0.742 3296 K HN 0.359 nan 8.250 nan 0.000 0.458 3297 V N -3.064 116.871 119.914 0.036 0.000 3.661 3297 V HA 0.136 4.245 4.120 -0.019 0.000 0.271 3297 V C 1.392 177.514 176.094 0.046 0.000 1.315 3297 V CA 0.319 62.644 62.300 0.042 0.000 1.072 3297 V CB -0.028 31.827 31.823 0.054 0.000 0.830 3297 V HN 0.089 nan 8.190 nan 0.000 0.443 3298 I N 0.104 120.703 120.570 0.049 0.000 3.339 3298 I HA 0.192 4.351 4.170 -0.019 0.000 0.285 3298 I C 1.184 177.325 176.117 0.040 0.000 1.201 3298 I CA 0.593 61.923 61.300 0.049 0.000 1.434 3298 I CB 0.211 38.248 38.000 0.061 0.000 1.152 3298 I HN 0.300 nan 8.210 nan 0.000 0.443 3299 S N 2.526 118.253 115.700 0.045 0.000 3.524 3299 S HA -0.138 4.320 4.470 -0.019 0.000 0.377 3299 S C 0.134 174.738 174.600 0.007 0.000 0.949 3299 S CA 0.618 58.837 58.200 0.031 0.000 1.264 3299 S CB -1.391 61.821 63.200 0.019 0.000 0.918 3299 S HN 0.311 nan 8.310 nan 0.000 0.517 3300 K N 1.087 121.493 120.400 0.009 0.000 2.276 3300 K HA 0.270 4.578 4.320 -0.019 0.000 0.283 3300 K C -2.519 173.945 176.600 -0.227 0.000 1.044 3300 K CA -2.017 54.212 56.287 -0.096 0.000 0.944 3300 K CB 0.460 32.904 32.500 -0.093 0.000 1.012 3300 K HN 0.088 nan 8.250 nan 0.000 0.472 3301 P HA -0.034 nan 4.420 nan 0.000 0.262 3301 P C 0.931 178.045 177.300 -0.311 0.000 1.199 3301 P CA -0.053 62.941 63.100 -0.177 0.000 0.763 3301 P CB 0.286 31.919 31.700 -0.112 0.000 0.790 3302 I N 4.459 124.902 120.570 -0.212 0.000 2.358 3302 I HA -0.355 3.804 4.170 -0.019 0.000 0.257 3302 I C 1.760 177.823 176.117 -0.089 0.000 1.123 3302 I CA 2.339 63.562 61.300 -0.129 0.000 1.393 3302 I CB -0.487 37.535 38.000 0.035 0.000 1.073 3302 I HN 0.346 nan 8.210 nan 0.000 0.437 3303 S N -0.896 114.752 115.700 -0.086 0.000 2.461 3303 S HA -0.041 4.417 4.470 -0.019 0.000 0.228 3303 S C 1.566 176.142 174.600 -0.039 0.000 1.005 3303 S CA 0.712 58.892 58.200 -0.034 0.000 0.942 3303 S CB -0.578 62.608 63.200 -0.024 0.000 0.776 3303 S HN 0.670 nan 8.310 nan 0.000 0.514 3304 E N 0.396 120.527 120.200 -0.115 0.000 2.437 3304 E HA 0.126 4.464 4.350 -0.019 0.000 0.189 3304 E C -0.538 176.040 176.600 -0.036 0.000 1.054 3304 E CA -0.162 56.191 56.400 -0.079 0.000 0.874 3304 E CB 0.002 29.643 29.700 -0.099 0.000 1.011 3304 E HN 0.716 nan 8.360 nan 0.000 0.474 3305 H N 1.257 120.341 119.070 0.023 0.000 2.722 3305 H HA 0.195 4.740 4.556 -0.020 0.000 0.328 3305 H C -0.130 175.229 175.328 0.053 0.000 1.067 3305 H CA -0.099 55.964 56.048 0.025 0.000 1.447 3305 H CB 0.713 30.492 29.762 0.028 0.000 1.469 3305 H HN -0.184 nan 8.280 nan 0.000 0.544 3306 K N 4.222 124.733 120.400 0.185 0.000 2.613 3306 K HA 0.338 4.646 4.320 -0.019 0.000 0.248 3306 K C -1.754 174.911 176.600 0.108 0.000 0.959 3306 K CA -0.291 56.092 56.287 0.160 0.000 0.855 3306 K CB 0.513 33.069 32.500 0.094 0.000 1.143 3306 K HN 0.480 nan 8.250 nan 0.000 0.437 3307 I N 4.935 125.596 120.570 0.152 0.000 2.354 3307 I HA 0.376 4.535 4.170 -0.019 0.000 0.292 3307 I C -0.889 175.310 176.117 0.136 0.000 0.989 3307 I CA -1.270 60.052 61.300 0.038 0.000 1.188 3307 I CB 1.406 39.384 38.000 -0.036 0.000 1.342 3307 I HN 0.432 nan 8.210 nan 0.000 0.457 3308 L N 7.582 128.825 121.223 0.033 0.000 2.325 3308 L HA 0.566 4.894 4.340 -0.019 0.000 0.281 3308 L C -1.278 175.699 176.870 0.178 0.000 1.004 3308 L CA -0.010 54.945 54.840 0.192 0.000 0.823 3308 L CB 0.925 43.042 42.059 0.096 0.000 1.236 3308 L HN 0.239 nan 8.230 nan 0.000 0.415 3309 F N 4.947 125.111 119.950 0.357 0.000 2.404 3309 F HA 0.453 4.968 4.527 -0.020 0.000 0.339 3309 F C -0.088 175.932 175.800 0.367 0.000 1.105 3309 F CA -0.371 57.809 58.000 0.301 0.000 1.087 3309 F CB 1.633 40.740 39.000 0.177 0.000 1.143 3309 F HN 0.352 nan 8.300 nan 0.000 0.491 3310 L N 4.027 125.485 121.223 0.391 0.000 2.288 3310 L HA 0.748 5.077 4.340 -0.019 0.000 0.283 3310 L C -0.068 176.898 176.870 0.159 0.000 1.072 3310 L CA 0.199 55.087 54.840 0.079 0.000 0.862 3310 L CB -0.111 41.770 42.059 -0.298 0.000 1.245 3310 L HN 0.717 nan 8.230 nan 0.000 0.432 3311 G N 3.555 112.484 108.800 0.216 0.000 2.539 3311 G HA2 0.408 4.357 3.960 -0.019 0.000 0.686 3311 G HA3 0.408 4.357 3.960 -0.019 0.000 0.686 3311 G C -0.630 174.326 174.900 0.093 0.000 1.258 3311 G CA -0.383 44.785 45.100 0.113 0.000 0.846 3311 G HN 1.389 nan 8.290 nan 0.000 0.647 3312 A N 0.330 123.158 122.820 0.013 0.000 3.106 3312 A HA 0.835 5.144 4.320 -0.019 0.000 0.227 3312 A C 0.891 178.439 177.584 -0.060 0.000 0.920 3312 A CA 0.960 52.962 52.037 -0.058 0.000 1.088 3312 A CB -0.021 18.970 19.000 -0.015 0.000 1.233 3312 A HN 2.263 nan 8.150 nan 0.000 0.503 3313 G N -0.640 108.141 108.800 -0.031 0.000 3.099 3313 G HA2 0.424 4.372 3.960 -0.019 0.000 0.151 3313 G HA3 0.424 4.372 3.960 -0.019 0.000 0.151 3313 G C 0.603 175.589 174.900 0.144 0.000 1.265 3313 G CA 0.232 45.367 45.100 0.059 0.000 0.981 3313 G HN 0.264 nan 8.290 nan 0.000 0.601 3314 E N -0.175 120.105 120.200 0.135 0.000 2.048 3314 E HA -0.256 4.083 4.350 -0.019 0.000 0.202 3314 E C 2.780 179.356 176.600 -0.040 0.000 1.021 3314 E CA 1.634 58.006 56.400 -0.046 0.000 0.825 3314 E CB -0.254 29.330 29.700 -0.193 0.000 0.756 3314 E HN 0.367 nan 8.360 nan 0.000 0.454 3315 A N 1.168 123.966 122.820 -0.037 0.000 1.873 3315 A HA -0.058 4.250 4.320 -0.019 0.000 0.215 3315 A C 2.387 179.915 177.584 -0.092 0.000 1.186 3315 A CA 1.702 53.725 52.037 -0.023 0.000 0.616 3315 A CB -0.753 18.266 19.000 0.031 0.000 0.823 3315 A HN 0.310 nan 8.150 nan 0.000 0.442 3316 A N -0.069 122.630 122.820 -0.202 0.000 1.865 3316 A HA -0.114 4.194 4.320 -0.019 0.000 0.217 3316 A C 2.191 179.319 177.584 -0.760 0.000 1.191 3316 A CA 1.686 53.304 52.037 -0.698 0.000 0.623 3316 A CB -0.742 17.898 19.000 -0.601 0.000 0.826 3316 A HN 0.478 nan 8.150 nan 0.000 0.444 3317 L N -0.863 120.128 121.223 -0.388 0.000 2.093 3317 L HA -0.094 4.234 4.340 -0.019 0.000 0.208 3317 L C 2.835 179.616 176.870 -0.148 0.000 1.085 3317 L CA 0.995 55.654 54.840 -0.301 0.000 0.755 3317 L CB -0.835 41.169 42.059 -0.092 0.000 0.904 3317 L HN 0.507 nan 8.230 nan 0.000 0.435 3318 G N 0.411 109.176 108.800 -0.058 0.000 2.404 3318 G HA2 -0.191 3.757 3.960 -0.019 0.000 0.215 3318 G HA3 -0.191 3.757 3.960 -0.019 0.000 0.215 3318 G C 1.592 176.484 174.900 -0.013 0.000 1.174 3318 G CA 0.611 45.699 45.100 -0.019 0.000 0.780 3318 G HN 0.251 nan 8.290 nan 0.000 0.537 3319 I N 1.407 121.965 120.570 -0.020 0.000 2.179 3319 I HA -0.166 3.993 4.170 -0.019 0.000 0.242 3319 I C 3.339 179.522 176.117 0.110 0.000 1.088 3319 I CA 0.960 62.325 61.300 0.109 0.000 1.357 3319 I CB -0.336 37.844 38.000 0.300 0.000 1.051 3319 I HN 0.243 nan 8.210 nan 0.000 0.409 3320 A N 1.060 123.823 122.820 -0.096 0.000 1.892 3320 A HA -0.255 4.054 4.320 -0.019 0.000 0.218 3320 A C 2.110 179.751 177.584 0.096 0.000 1.188 3320 A CA 2.086 54.058 52.037 -0.108 0.000 0.631 3320 A CB -0.853 17.616 19.000 -0.886 0.000 0.822 3320 A HN 0.460 nan 8.150 nan 0.000 0.447 3321 N N -0.718 118.037 118.700 0.092 0.000 2.223 3321 N HA -0.113 4.615 4.740 -0.019 0.000 0.185 3321 N C 1.534 177.147 175.510 0.170 0.000 1.016 3321 N CA 1.307 54.487 53.050 0.217 0.000 0.863 3321 N CB -0.212 38.389 38.487 0.191 0.000 0.983 3321 N HN 0.376 nan 8.380 nan 0.000 0.429 3322 L N 1.176 122.480 121.223 0.135 0.000 2.162 3322 L HA 0.128 4.456 4.340 -0.019 0.000 0.205 3322 L C 2.068 179.016 176.870 0.130 0.000 1.086 3322 L CA 0.714 55.631 54.840 0.129 0.000 0.778 3322 L CB -0.241 41.890 42.059 0.121 0.000 0.928 3322 L HN 0.056 nan 8.230 nan 0.000 0.446 3323 I N -1.481 119.175 120.570 0.144 0.000 2.226 3323 I HA -0.218 3.940 4.170 -0.019 0.000 0.245 3323 I C 1.230 177.429 176.117 0.135 0.000 1.100 3323 I CA 0.304 61.681 61.300 0.128 0.000 1.374 3323 I CB -0.266 37.821 38.000 0.145 0.000 1.057 3323 I HN -0.092 nan 8.210 nan 0.000 0.413 3329 E N 0.950 121.185 120.200 0.059 0.000 2.512 3329 E HA 0.027 4.366 4.350 -0.019 0.000 0.195 3329 E C 0.801 177.431 176.600 0.051 0.000 1.083 3329 E CA 1.114 57.547 56.400 0.055 0.000 0.873 3329 E CB -0.266 29.470 29.700 0.059 0.000 0.897 3329 E HN 0.758 nan 8.360 nan 0.000 0.514 3330 N N -0.406 118.325 118.700 0.052 0.000 2.291 3330 N HA 0.179 4.907 4.740 -0.019 0.000 0.244 3330 N C 0.288 175.825 175.510 0.045 0.000 1.216 3330 N CA 0.131 53.211 53.050 0.050 0.000 0.879 3330 N CB 1.300 39.822 38.487 0.059 0.000 1.167 3330 N HN 0.326 nan 8.380 nan 0.000 0.515 3331 G N 0.713 109.538 108.800 0.041 0.000 3.178 3331 G HA2 -0.222 3.726 3.960 -0.019 0.000 0.200 3331 G HA3 -0.222 3.726 3.960 -0.019 0.000 0.200 3331 G C -0.274 174.646 174.900 0.035 0.000 1.831 3331 G CA -0.704 44.417 45.100 0.035 0.000 1.470 3331 G HN 0.070 nan 8.290 nan 0.000 0.591 3332 L N 2.163 123.411 121.223 0.041 0.000 2.558 3332 L HA 0.435 4.764 4.340 -0.019 0.000 0.301 3332 L C 1.428 178.319 176.870 0.035 0.000 1.267 3332 L CA 1.277 56.141 54.840 0.039 0.000 0.854 3332 L CB 0.583 42.674 42.059 0.053 0.000 1.103 3332 L HN 0.642 nan 8.230 nan 0.000 0.522 3333 S N 0.527 116.243 115.700 0.026 0.000 2.632 3333 S HA 0.153 4.612 4.470 -0.019 0.000 0.271 3333 S C 1.115 175.727 174.600 0.019 0.000 1.260 3333 S CA -0.312 57.899 58.200 0.019 0.000 1.010 3333 S CB 0.744 63.949 63.200 0.008 0.000 0.965 3333 S HN 0.736 nan 8.310 nan 0.000 0.534 3334 E N 1.297 121.505 120.200 0.014 0.000 2.097 3334 E HA -0.241 4.097 4.350 -0.019 0.000 0.196 3334 E C 1.878 178.468 176.600 -0.016 0.000 1.000 3334 E CA 1.499 57.904 56.400 0.008 0.000 0.804 3334 E CB -0.148 29.551 29.700 -0.001 0.000 0.740 3334 E HN 0.794 nan 8.360 nan 0.000 0.454 3335 Q N -0.039 119.745 119.800 -0.026 0.000 2.046 3335 Q HA -0.192 4.136 4.340 -0.019 0.000 0.200 3335 Q C 1.930 177.911 176.000 -0.032 0.000 0.975 3335 Q CA 1.578 57.355 55.803 -0.044 0.000 0.836 3335 Q CB 0.078 28.792 28.738 -0.039 0.000 0.896 3335 Q HN 0.385 nan 8.270 nan 0.000 0.428 3336 E N -0.170 120.024 120.200 -0.011 0.000 2.150 3336 E HA -0.153 4.185 4.350 -0.019 0.000 0.193 3336 E C 1.800 178.413 176.600 0.020 0.000 0.985 3336 E CA 0.761 57.160 56.400 -0.001 0.000 0.814 3336 E CB -0.032 29.674 29.700 0.010 0.000 0.752 3336 E HN 0.352 nan 8.360 nan 0.000 0.466 3337 A N 1.434 124.277 122.820 0.037 0.000 1.897 3337 A HA -0.208 4.101 4.320 -0.019 0.000 0.215 3337 A C 2.051 179.694 177.584 0.099 0.000 1.181 3337 A CA 1.095 53.179 52.037 0.079 0.000 0.620 3337 A CB -0.359 18.694 19.000 0.088 0.000 0.821 3337 A HN 0.140 nan 8.150 nan 0.000 0.443 3338 Q N -0.331 119.495 119.800 0.043 0.000 2.291 3338 Q HA -0.128 4.201 4.340 -0.019 0.000 0.206 3338 Q C 1.437 177.486 176.000 0.082 0.000 0.976 3338 Q CA 1.077 56.887 55.803 0.013 0.000 0.875 3338 Q CB -0.106 28.489 28.738 -0.239 0.000 0.927 3338 Q HN 0.420 nan 8.270 nan 0.000 0.450 3339 K N 0.749 121.138 120.400 -0.019 0.000 2.366 3339 K HA -0.034 4.274 4.320 -0.019 0.000 0.198 3339 K C 1.220 177.726 176.600 -0.157 0.000 1.044 3339 K CA 0.737 56.882 56.287 -0.237 0.000 0.973 3339 K CB 0.167 32.552 32.500 -0.191 0.000 0.767 3339 K HN 0.191 nan 8.250 nan 0.000 0.475 3340 K N 0.328 120.770 120.400 0.070 0.000 2.444 3340 K HA 0.205 4.513 4.320 -0.019 0.000 0.193 3340 K C 0.362 177.150 176.600 0.314 0.000 1.024 3340 K CA 0.146 56.549 56.287 0.192 0.000 1.077 3340 K CB 0.427 33.036 32.500 0.182 0.000 0.833 3340 K HN 0.020 nan 8.250 nan 0.000 0.517 3341 I N 0.904 121.674 120.570 0.335 0.000 2.389 3341 I HA 0.239 4.397 4.170 -0.019 0.000 0.288 3341 I C -0.795 175.596 176.117 0.456 0.000 0.999 3341 I CA -0.870 60.710 61.300 0.467 0.000 1.129 3341 I CB 0.908 39.241 38.000 0.555 0.000 1.288 3341 I HN -0.042 nan 8.210 nan 0.000 0.444 3345 D N 4.112 124.497 120.400 -0.026 0.000 2.560 3345 D HA 0.244 4.873 4.640 -0.019 0.000 0.277 3345 D C 0.962 177.149 176.300 -0.188 0.000 1.194 3345 D CA -0.207 53.766 54.000 -0.045 0.000 1.092 3345 D CB 0.393 41.154 40.800 -0.065 0.000 1.169 3345 D HN 0.513 nan 8.370 nan 0.000 0.607 3346 K N -0.865 119.370 120.400 -0.274 0.000 2.360 3346 K HA -0.160 4.149 4.320 -0.019 0.000 0.201 3346 K C 0.997 177.369 176.600 -0.380 0.000 1.046 3346 K CA 1.189 57.266 56.287 -0.350 0.000 0.945 3346 K CB -0.519 31.680 32.500 -0.502 0.000 0.750 3346 K HN 0.542 nan 8.250 nan 0.000 0.464 3347 Y N 0.718 120.936 120.300 -0.136 0.000 2.444 3347 Y HA 0.242 4.781 4.550 -0.020 0.000 0.249 3347 Y C 1.128 176.874 175.900 -0.257 0.000 1.134 3347 Y CA -0.259 57.758 58.100 -0.138 0.000 1.261 3347 Y CB 1.354 39.760 38.460 -0.091 0.000 1.143 3347 Y HN 0.362 nan 8.280 nan 0.000 0.523 3348 G N 0.621 109.136 108.800 -0.476 0.000 2.373 3348 G HA2 -0.100 3.848 3.960 -0.019 0.000 0.634 3348 G HA3 -0.100 3.848 3.960 -0.019 0.000 0.634 3348 G C -1.668 172.769 174.900 -0.772 0.000 1.267 3348 G CA -1.157 43.394 45.100 -0.916 0.000 1.008 3348 G HN -0.012 nan 8.290 nan 0.000 0.497 3349 L N 0.459 121.477 121.223 -0.342 0.000 2.525 3349 L HA 0.424 4.753 4.340 -0.019 0.000 0.278 3349 L C 0.964 177.910 176.870 0.127 0.000 1.218 3349 L CA -0.107 54.827 54.840 0.156 0.000 0.878 3349 L CB 0.244 42.535 42.059 0.387 0.000 1.127 3349 L HN 0.472 nan 8.230 nan 0.000 0.492 3350 L N 7.088 128.418 121.223 0.179 0.000 2.363 3350 L HA 0.259 4.587 4.340 -0.019 0.000 0.286 3350 L C -0.233 176.704 176.870 0.111 0.000 1.106 3350 L CA -0.368 54.537 54.840 0.108 0.000 0.859 3350 L CB 0.007 42.111 42.059 0.076 0.000 1.223 3350 L HN 0.543 nan 8.230 nan 0.000 0.446 3351 V N 0.713 120.688 119.914 0.102 0.000 2.864 3351 V HA 0.479 4.588 4.120 -0.019 0.000 0.314 3351 V C 0.065 176.190 176.094 0.050 0.000 1.073 3351 V CA -1.408 60.956 62.300 0.108 0.000 0.956 3351 V CB 1.956 33.880 31.823 0.169 0.000 1.023 3351 V HN 0.561 nan 8.190 nan 0.000 0.435 3352 K N 2.011 122.434 120.400 0.038 0.000 2.484 3352 K HA 0.394 4.702 4.320 -0.019 0.000 0.280 3352 K C 1.182 177.795 176.600 0.021 0.000 1.013 3352 K CA 0.990 57.287 56.287 0.016 0.000 1.029 3352 K CB 0.316 32.825 32.500 0.015 0.000 0.902 3352 K HN 1.660 nan 8.250 nan 0.000 0.481 3353 G N 2.227 111.031 108.800 0.007 0.000 2.148 3353 G HA2 -0.341 3.607 3.960 -0.019 0.000 0.254 3353 G HA3 -0.341 3.607 3.960 -0.019 0.000 0.254 3353 G C 0.095 174.997 174.900 0.003 0.000 0.981 3353 G CA 0.637 45.740 45.100 0.004 0.000 0.670 3353 G HN 0.749 nan 8.290 nan 0.000 0.528 3354 R N -0.817 119.686 120.500 0.005 0.000 2.707 3354 R HA 0.665 4.993 4.340 -0.019 0.000 0.270 3354 R C 1.465 177.748 176.300 -0.028 0.000 1.083 3354 R CA 0.194 56.294 56.100 -0.001 0.000 1.182 3354 R CB 0.558 30.864 30.300 0.010 0.000 1.084 3354 R HN 0.028 nan 8.270 nan 0.000 0.528 3355 K N 1.703 122.076 120.400 -0.046 0.000 2.097 3355 K HA 0.025 4.333 4.320 -0.019 0.000 0.205 3355 K C 0.263 176.790 176.600 -0.123 0.000 1.050 3355 K CA 1.401 57.642 56.287 -0.077 0.000 0.938 3355 K CB -0.308 32.141 32.500 -0.085 0.000 0.718 3355 K HN 0.701 nan 8.250 nan 0.000 0.442 3356 A N 1.837 124.564 122.820 -0.155 0.000 2.440 3356 A HA 0.175 4.483 4.320 -0.019 0.000 0.251 3356 A C -0.502 177.029 177.584 -0.089 0.000 1.089 3356 A CA -0.285 51.615 52.037 -0.229 0.000 0.779 3356 A CB 0.024 18.870 19.000 -0.257 0.000 1.022 3356 A HN 0.357 nan 8.150 nan 0.000 0.492 3357 K N 0.525 120.879 120.400 -0.077 0.000 2.402 3357 K HA 0.283 4.591 4.320 -0.019 0.000 0.265 3357 K C -0.650 175.956 176.600 0.010 0.000 0.978 3357 K CA 0.709 56.981 56.287 -0.024 0.000 0.913 3357 K CB 0.296 32.788 32.500 -0.013 0.000 0.954 3357 K HN 0.592 nan 8.250 nan 0.000 0.511 3358 I N 2.092 122.664 120.570 0.003 0.000 2.599 3358 I HA 0.020 4.178 4.170 -0.019 0.000 0.285 3358 I C -0.784 175.331 176.117 -0.004 0.000 1.168 3358 I CA -0.889 60.414 61.300 0.006 0.000 1.060 3358 I CB 1.792 39.790 38.000 -0.004 0.000 1.249 3358 I HN 0.775 nan 8.210 nan 0.000 0.442 3359 D N 3.628 124.031 120.400 0.006 0.000 2.433 3359 D HA 0.136 4.765 4.640 -0.019 0.000 0.255 3359 D C 1.298 177.579 176.300 -0.032 0.000 1.226 3359 D CA -0.230 53.772 54.000 0.003 0.000 1.015 3359 D CB 0.723 41.550 40.800 0.044 0.000 1.091 3359 D HN 0.447 nan 8.370 nan 0.000 0.527 3360 S N -0.912 114.733 115.700 -0.092 0.000 2.387 3360 S HA -0.287 4.172 4.470 -0.019 0.000 0.230 3360 S C 1.961 176.418 174.600 -0.238 0.000 1.035 3360 S CA 0.966 59.039 58.200 -0.211 0.000 1.014 3360 S CB -1.147 61.843 63.200 -0.351 0.000 0.836 3360 S HN 0.586 nan 8.310 nan 0.000 0.466 3361 Y N 2.051 122.262 120.300 -0.148 0.000 2.373 3361 Y HA 0.095 4.633 4.550 -0.020 0.000 0.293 3361 Y C 2.852 178.745 175.900 -0.012 0.000 1.129 3361 Y CA 1.041 59.056 58.100 -0.141 0.000 1.226 3361 Y CB -0.429 37.792 38.460 -0.399 0.000 1.000 3361 Y HN 0.372 nan 8.280 nan 0.000 0.549 3362 Q N -0.343 119.523 119.800 0.110 0.000 2.354 3362 Q HA -0.099 4.229 4.340 -0.019 0.000 0.203 3362 Q C 1.828 177.887 176.000 0.099 0.000 0.933 3362 Q CA 0.307 56.189 55.803 0.131 0.000 0.901 3362 Q CB 0.088 28.851 28.738 0.041 0.000 1.007 3362 Q HN 0.380 nan 8.270 nan 0.000 0.495 3363 E N 0.916 121.115 120.200 -0.001 0.000 2.065 3363 E HA -0.193 4.145 4.350 -0.019 0.000 0.201 3363 E C -0.723 175.776 176.600 -0.168 0.000 1.016 3363 E CA 1.575 57.927 56.400 -0.080 0.000 0.818 3363 E CB -1.279 28.361 29.700 -0.099 0.000 0.749 3363 E HN 0.303 nan 8.360 nan 0.000 0.453 3364 P HA -0.122 nan 4.420 nan 0.000 0.223 3364 P C 0.489 177.295 177.300 -0.825 0.000 1.144 3364 P CA 1.096 63.847 63.100 -0.582 0.000 0.783 3364 P CB -0.144 31.079 31.700 -0.795 0.000 0.771 3365 F N -3.012 116.805 119.950 -0.222 0.000 2.683 3365 F HA 0.226 4.741 4.527 -0.020 0.000 0.306 3365 F C 0.512 175.853 175.800 -0.765 0.000 1.102 3365 F CA -0.141 57.612 58.000 -0.412 0.000 1.244 3365 F CB -0.482 38.407 39.000 -0.184 0.000 1.029 3365 F HN -0.383 nan 8.300 nan 0.000 0.545 3366 T N 1.995 116.275 114.554 -0.456 0.000 2.832 3366 T HA 0.261 4.600 4.350 -0.019 0.000 0.313 3366 T C -0.056 174.391 174.700 -0.422 0.000 1.035 3366 T CA -0.290 61.590 62.100 -0.367 0.000 0.950 3366 T CB 0.040 68.823 68.868 -0.142 0.000 0.984 3366 T HN 0.088 nan 8.240 nan 0.000 0.486 3367 H N 0.829 119.752 119.070 -0.245 0.000 2.523 3367 H HA 0.444 4.988 4.556 -0.020 0.000 0.345 3367 H C 0.473 175.764 175.328 -0.061 0.000 1.261 3367 H CA -1.058 54.832 56.048 -0.265 0.000 1.343 3367 H CB 0.643 30.018 29.762 -0.645 0.000 1.650 3367 H HN 0.363 nan 8.280 nan 0.000 0.591 3368 S N 0.359 116.146 115.700 0.145 0.000 2.531 3368 S HA 0.283 4.741 4.470 -0.019 0.000 0.279 3368 S C 0.398 175.136 174.600 0.231 0.000 1.305 3368 S CA -0.603 57.682 58.200 0.142 0.000 1.058 3368 S CB 0.404 63.667 63.200 0.105 0.000 0.899 3368 S HN 0.741 nan 8.310 nan 0.000 0.493 3369 A N 5.312 128.246 122.820 0.189 0.000 2.598 3369 A HA 0.252 4.560 4.320 -0.019 0.000 0.239 3369 A C -1.720 175.984 177.584 0.201 0.000 1.032 3369 A CA -0.544 51.617 52.037 0.207 0.000 0.760 3369 A CB -0.753 18.326 19.000 0.131 0.000 0.946 3369 A HN 0.548 nan 8.150 nan 0.000 0.512 3370 P HA 0.179 nan 4.420 nan 0.000 0.293 3370 P C 0.865 178.206 177.300 0.068 0.000 1.298 3370 P CA -0.513 62.661 63.100 0.124 0.000 0.757 3370 P CB 0.365 32.077 31.700 0.020 0.000 1.262 3371 E N -0.699 119.519 120.200 0.030 0.000 2.086 3371 E HA -0.135 4.203 4.350 -0.019 0.000 0.200 3371 E C 0.304 176.916 176.600 0.020 0.000 1.012 3371 E CA 1.529 57.940 56.400 0.018 0.000 0.812 3371 E CB -0.213 29.485 29.700 -0.003 0.000 0.743 3371 E HN 0.486 nan 8.360 nan 0.000 0.453 3372 S N -0.508 115.200 115.700 0.013 0.000 2.549 3372 S HA 0.498 4.956 4.470 -0.019 0.000 0.280 3372 S C -0.507 174.113 174.600 0.034 0.000 1.109 3372 S CA -0.945 57.267 58.200 0.020 0.000 0.905 3372 S CB 1.511 64.714 63.200 0.005 0.000 1.081 3372 S HN 0.081 nan 8.310 nan 0.000 0.477 3373 I N 3.607 124.209 120.570 0.053 0.000 2.337 3373 I HA 0.298 4.457 4.170 -0.019 0.000 0.291 3373 I C -1.814 174.358 176.117 0.091 0.000 1.046 3373 I CA -1.929 59.420 61.300 0.082 0.000 1.324 3373 I CB 0.959 39.011 38.000 0.086 0.000 1.409 3373 I HN 0.538 nan 8.210 nan 0.000 0.494 3374 P HA 0.064 nan 4.420 nan 0.000 0.271 3374 P C -0.332 177.111 177.300 0.240 0.000 1.216 3374 P CA -0.017 63.167 63.100 0.140 0.000 0.771 3374 P CB 1.741 33.514 31.700 0.122 0.000 0.864 3375 D N 1.612 122.125 120.400 0.188 0.000 2.269 3375 D HA -0.042 4.587 4.640 -0.019 0.000 0.220 3375 D C 0.757 177.257 176.300 0.332 0.000 0.962 3375 D CA 1.059 55.188 54.000 0.215 0.000 0.884 3375 D CB 0.293 41.170 40.800 0.128 0.000 1.023 3375 D HN 0.512 nan 8.370 nan 0.000 0.484 3376 T N -3.554 111.135 114.554 0.225 0.000 2.919 3376 T HA 0.228 4.566 4.350 -0.019 0.000 0.282 3376 T C 0.721 175.339 174.700 -0.137 0.000 1.020 3376 T CA -0.773 61.440 62.100 0.189 0.000 0.994 3376 T CB 0.669 69.597 68.868 0.100 0.000 1.180 3376 T HN -0.036 nan 8.240 nan 0.000 0.566 3377 F N 0.494 120.171 119.950 -0.455 0.000 2.259 3377 F HA 0.132 4.647 4.527 -0.020 0.000 0.298 3377 F C 2.478 178.049 175.800 -0.381 0.000 1.088 3377 F CA 1.518 59.064 58.000 -0.756 0.000 1.358 3377 F CB -0.269 38.451 39.000 -0.466 0.000 1.040 3377 F HN 0.888 nan 8.300 nan 0.000 0.505 3378 E N -0.037 120.050 120.200 -0.187 0.000 2.110 3378 E HA -0.232 4.106 4.350 -0.019 0.000 0.193 3378 E C 1.613 178.065 176.600 -0.246 0.000 0.988 3378 E CA 1.676 57.958 56.400 -0.197 0.000 0.804 3378 E CB -0.169 29.487 29.700 -0.073 0.000 0.745 3378 E HN 0.401 nan 8.360 nan 0.000 0.458 3379 D N 0.237 120.520 120.400 -0.195 0.000 2.144 3379 D HA -0.122 4.506 4.640 -0.019 0.000 0.200 3379 D C 1.840 178.001 176.300 -0.231 0.000 0.978 3379 D CA 1.163 55.071 54.000 -0.153 0.000 0.833 3379 D CB -0.212 40.554 40.800 -0.056 0.000 0.961 3379 D HN 0.293 nan 8.370 nan 0.000 0.470 3380 A N 0.886 123.489 122.820 -0.362 0.000 1.933 3380 A HA -0.118 4.190 4.320 -0.019 0.000 0.218 3380 A C 2.534 179.822 177.584 -0.494 0.000 1.175 3380 A CA 1.035 52.823 52.037 -0.415 0.000 0.628 3380 A CB -0.620 18.027 19.000 -0.588 0.000 0.814 3380 A HN 0.138 nan 8.150 nan 0.000 0.444 3381 V N 0.873 120.430 119.914 -0.596 0.000 2.358 3381 V HA -0.211 3.898 4.120 -0.019 0.000 0.246 3381 V C 2.166 178.072 176.094 -0.313 0.000 1.047 3381 V CA 1.976 63.984 62.300 -0.485 0.000 1.035 3381 V CB -0.835 30.700 31.823 -0.480 0.000 0.658 3381 V HN 0.557 nan 8.190 nan 0.000 0.452 3382 N N -0.063 118.482 118.700 -0.257 0.000 2.331 3382 N HA 0.032 4.760 4.740 -0.019 0.000 0.180 3382 N C 1.749 177.156 175.510 -0.171 0.000 1.019 3382 N CA 1.250 54.191 53.050 -0.182 0.000 0.881 3382 N CB 0.030 38.432 38.487 -0.141 0.000 0.972 3382 N HN 0.448 nan 8.380 nan 0.000 0.435 3383 I N 0.485 120.937 120.570 -0.197 0.000 2.339 3383 I HA -0.101 4.058 4.170 -0.019 0.000 0.245 3383 I C 1.794 177.765 176.117 -0.243 0.000 1.096 3383 I CA 0.713 61.902 61.300 -0.186 0.000 1.408 3383 I CB -0.008 37.892 38.000 -0.168 0.000 1.092 3383 I HN -0.022 nan 8.210 nan 0.000 0.423 3384 L N 0.009 121.031 121.223 -0.335 0.000 2.375 3384 L HA 0.046 4.375 4.340 -0.019 0.000 0.215 3384 L C 0.493 177.186 176.870 -0.294 0.000 1.108 3384 L CA 0.222 54.803 54.840 -0.432 0.000 0.830 3384 L CB -0.319 41.344 42.059 -0.661 0.000 0.959 3384 L HN 0.126 nan 8.230 nan 0.000 0.457 3385 K N 0.309 120.563 120.400 -0.242 0.000 3.451 3385 K HA -0.149 4.160 4.320 -0.019 0.000 0.273 3385 K C -2.241 174.269 176.600 -0.149 0.000 0.944 3385 K CA -0.231 55.951 56.287 -0.176 0.000 0.734 3385 K CB -1.275 31.146 32.500 -0.130 0.000 1.437 3385 K HN 0.270 nan 8.250 nan 0.000 0.454 3386 P HA 0.000 nan 4.420 nan 0.000 0.274 3386 P C 0.388 177.639 177.300 -0.082 0.000 1.231 3386 P CA -0.087 62.948 63.100 -0.108 0.000 0.790 3386 P CB 1.414 33.041 31.700 -0.122 0.000 0.951 3387 S N -0.264 115.414 115.700 -0.037 0.000 2.486 3387 S HA 0.092 4.550 4.470 -0.019 0.000 0.220 3387 S C 0.679 175.245 174.600 -0.058 0.000 1.011 3387 S CA 0.328 58.514 58.200 -0.023 0.000 0.921 3387 S CB -0.337 62.891 63.200 0.046 0.000 0.785 3387 S HN 0.512 nan 8.310 nan 0.000 0.517 3388 T N 2.097 116.596 114.554 -0.092 0.000 2.886 3388 T HA 0.661 4.999 4.350 -0.019 0.000 0.292 3388 T C -1.545 173.058 174.700 -0.160 0.000 1.012 3388 T CA -0.362 61.640 62.100 -0.163 0.000 0.982 3388 T CB 1.831 70.547 68.868 -0.254 0.000 1.018 3388 T HN 0.097 nan 8.240 nan 0.000 0.451 3389 I N 3.223 123.707 120.570 -0.143 0.000 2.418 3389 I HA 0.542 4.700 4.170 -0.019 0.000 0.287 3389 I C -1.102 175.046 176.117 0.051 0.000 1.008 3389 I CA -0.844 60.419 61.300 -0.061 0.000 1.104 3389 I CB 1.206 39.099 38.000 -0.179 0.000 1.264 3389 I HN 0.598 nan 8.210 nan 0.000 0.438 3390 I N 6.691 127.306 120.570 0.074 0.000 2.411 3390 I HA 0.431 4.589 4.170 -0.019 0.000 0.284 3390 I C 0.461 176.778 176.117 0.334 0.000 1.012 3390 I CA -0.550 60.838 61.300 0.146 0.000 1.119 3390 I CB 1.717 39.572 38.000 -0.240 0.000 1.261 3390 I HN 0.668 nan 8.210 nan 0.000 0.448 3391 G N 5.576 114.548 108.800 0.287 0.000 2.356 3391 G HA2 0.475 4.423 3.960 -0.019 0.000 0.300 3391 G HA3 0.475 4.423 3.960 -0.019 0.000 0.300 3391 G C 0.078 174.954 174.900 -0.041 0.000 1.107 3391 G CA -0.204 44.805 45.100 -0.152 0.000 0.960 3391 G HN 0.559 nan 8.290 nan 0.000 0.418 3392 V N 0.067 119.989 119.914 0.013 0.000 2.886 3392 V HA 0.616 4.724 4.120 -0.019 0.000 0.368 3392 V C 0.720 176.814 176.094 -0.001 0.000 1.313 3392 V CA 0.033 62.357 62.300 0.039 0.000 1.491 3392 V CB 0.189 32.094 31.823 0.137 0.000 1.345 3392 V HN 0.754 nan 8.190 nan 0.000 0.646 3393 A N 0.395 123.176 122.820 -0.064 0.000 2.229 3393 A HA 0.627 4.936 4.320 -0.019 0.000 0.211 3393 A C 2.013 179.561 177.584 -0.060 0.000 1.193 3393 A CA 0.648 52.651 52.037 -0.058 0.000 0.879 3393 A CB -0.166 18.785 19.000 -0.081 0.000 0.911 3393 A HN 2.037 nan 8.150 nan 0.000 0.492 3394 G N -1.042 107.717 108.800 -0.069 0.000 2.283 3394 G HA2 -0.003 3.946 3.960 -0.019 0.000 0.280 3394 G HA3 -0.003 3.946 3.960 -0.019 0.000 0.280 3394 G C 0.618 175.483 174.900 -0.057 0.000 1.029 3394 G CA 0.540 45.604 45.100 -0.059 0.000 0.840 3394 G HN 1.625 nan 8.290 nan 0.000 0.505 3395 A N -0.851 121.928 122.820 -0.068 0.000 2.610 3395 A HA 0.778 5.087 4.320 -0.019 0.000 0.291 3395 A C 1.622 179.177 177.584 -0.048 0.000 1.116 3395 A CA 1.229 53.235 52.037 -0.053 0.000 0.963 3395 A CB 0.052 19.023 19.000 -0.048 0.000 1.220 3395 A HN 2.542 nan 8.150 nan 0.000 0.530 3396 G N -0.000 108.767 108.800 -0.055 0.000 2.627 3396 G HA2 -0.124 3.824 3.960 -0.019 0.000 0.214 3396 G HA3 -0.124 3.824 3.960 -0.019 0.000 0.214 3396 G C -0.430 174.437 174.900 -0.054 0.000 1.331 3396 G CA -0.898 44.180 45.100 -0.038 0.000 0.891 3396 G HN 0.334 nan 8.290 nan 0.000 0.539 3397 R N 0.909 121.397 120.500 -0.020 0.000 4.510 3397 R HA 0.116 4.445 4.340 -0.019 0.000 0.170 3397 R C 1.593 177.898 176.300 0.009 0.000 1.906 3397 R CA -0.275 55.822 56.100 -0.006 0.000 1.492 3397 R CB -0.950 29.363 30.300 0.022 0.000 1.383 3397 R HN 0.381 nan 8.270 nan 0.000 0.823 3398 L N -0.118 121.079 121.223 -0.043 0.000 2.395 3398 L HA 0.081 4.409 4.340 -0.019 0.000 0.218 3398 L C 0.904 177.909 176.870 0.224 0.000 1.130 3398 L CA 0.903 55.756 54.840 0.021 0.000 0.826 3398 L CB -0.467 41.545 42.059 -0.078 0.000 0.941 3398 L HN 0.291 nan 8.230 nan 0.000 0.451 3399 F N 1.843 121.781 119.950 -0.020 0.000 2.541 3399 F HA 0.081 4.596 4.527 -0.020 0.000 0.351 3399 F C 1.236 177.048 175.800 0.021 0.000 1.209 3399 F CA -0.915 57.098 58.000 0.023 0.000 1.277 3399 F CB 0.219 39.242 39.000 0.039 0.000 1.632 3399 F HN 0.044 nan 8.300 nan 0.000 0.619 3400 T N -0.728 113.947 114.554 0.202 0.000 2.802 3400 T HA 0.052 4.390 4.350 -0.019 0.000 0.305 3400 T C -1.722 173.013 174.700 0.059 0.000 1.053 3400 T CA -1.411 60.751 62.100 0.102 0.000 1.058 3400 T CB 1.127 70.042 68.868 0.080 0.000 0.988 3400 T HN 0.134 nan 8.240 nan 0.000 0.539 3401 P HA -0.085 nan 4.420 nan 0.000 0.216 3401 P C 1.062 178.354 177.300 -0.013 0.000 1.150 3401 P CA 1.041 64.138 63.100 -0.004 0.000 0.843 3401 P CB 0.008 31.703 31.700 -0.008 0.000 0.787 3402 D N -1.256 119.141 120.400 -0.005 0.000 2.183 3402 D HA -0.073 4.556 4.640 -0.019 0.000 0.203 3402 D C 1.993 178.271 176.300 -0.037 0.000 0.969 3402 D CA 0.851 54.839 54.000 -0.020 0.000 0.842 3402 D CB -0.621 40.171 40.800 -0.012 0.000 0.957 3402 D HN 0.008 nan 8.370 nan 0.000 0.484 3403 V N 1.285 121.187 119.914 -0.019 0.000 2.427 3403 V HA -0.180 3.929 4.120 -0.019 0.000 0.248 3403 V C 2.450 178.483 176.094 -0.101 0.000 1.051 3403 V CA 1.021 63.290 62.300 -0.052 0.000 1.048 3403 V CB -0.237 31.606 31.823 0.033 0.000 0.666 3403 V HN 0.179 nan 8.190 nan 0.000 0.456 3404 I N -0.694 119.832 120.570 -0.072 0.000 2.286 3404 I HA -0.170 3.988 4.170 -0.019 0.000 0.245 3404 I C 2.703 178.771 176.117 -0.082 0.000 1.104 3404 I CA 1.326 62.574 61.300 -0.087 0.000 1.397 3404 I CB -0.435 37.526 38.000 -0.065 0.000 1.072 3404 I HN 0.169 nan 8.210 nan 0.000 0.417 3405 R N 1.092 121.552 120.500 -0.066 0.000 2.115 3405 R HA 0.027 4.356 4.340 -0.019 0.000 0.230 3405 R C 1.349 177.608 176.300 -0.069 0.000 1.111 3405 R CA 0.707 56.771 56.100 -0.060 0.000 0.976 3405 R CB -0.248 30.023 30.300 -0.047 0.000 0.870 3405 R HN 0.310 nan 8.270 nan 0.000 0.445 3409 S N 0.228 115.896 115.700 -0.052 0.000 2.470 3409 S HA 0.178 4.636 4.470 -0.019 0.000 0.225 3409 S C 1.623 176.194 174.600 -0.049 0.000 1.006 3409 S CA 1.183 59.355 58.200 -0.046 0.000 0.934 3409 S CB -0.473 62.698 63.200 -0.047 0.000 0.778 3409 S HN 0.464 nan 8.310 nan 0.000 0.517 3410 I N 1.303 121.837 120.570 -0.061 0.000 2.703 3410 I HA 0.147 4.306 4.170 -0.019 0.000 0.259 3410 I C 0.267 176.353 176.117 -0.051 0.000 1.151 3410 I CA 0.270 61.531 61.300 -0.064 0.000 1.470 3410 I CB -0.089 37.859 38.000 -0.087 0.000 1.112 3410 I HN 0.244 nan 8.210 nan 0.000 0.437 3411 N N 0.523 119.196 118.700 -0.046 0.000 2.240 3411 N HA 0.111 4.840 4.740 -0.019 0.000 0.302 3411 N C 0.442 175.941 175.510 -0.020 0.000 1.106 3411 N CA -0.287 52.745 53.050 -0.031 0.000 0.778 3411 N CB 2.451 40.919 38.487 -0.031 0.000 1.431 3411 N HN -0.118 nan 8.380 nan 0.000 0.479 3412 E N 0.968 121.163 120.200 -0.009 0.000 2.076 3412 E HA 0.005 4.343 4.350 -0.019 0.000 0.190 3412 E C -0.302 176.304 176.600 0.011 0.000 0.979 3412 E CA 1.505 57.905 56.400 0.001 0.000 0.807 3412 E CB 0.378 30.081 29.700 0.005 0.000 0.761 3412 E HN 0.301 nan 8.360 nan 0.000 0.454 3413 R N 1.423 121.933 120.500 0.017 0.000 2.494 3413 R HA 0.337 4.666 4.340 -0.019 0.000 0.284 3413 R C -2.450 173.865 176.300 0.025 0.000 1.525 3413 R CA -2.266 53.853 56.100 0.033 0.000 1.460 3413 R CB 0.645 30.974 30.300 0.048 0.000 1.134 3413 R HN 0.217 nan 8.270 nan 0.000 0.592 3414 P HA 0.119 nan 4.420 nan 0.000 0.275 3414 P C -0.176 177.137 177.300 0.021 0.000 1.227 3414 P CA -0.247 62.850 63.100 -0.006 0.000 0.781 3414 P CB 1.420 33.102 31.700 -0.030 0.000 0.906 3415 V N 5.353 125.263 119.914 -0.006 0.000 2.328 3415 V HA 0.307 4.415 4.120 -0.019 0.000 0.278 3415 V C 0.544 176.656 176.094 0.030 0.000 1.021 3415 V CA -0.367 61.939 62.300 0.010 0.000 0.838 3415 V CB 0.612 32.360 31.823 -0.126 0.000 0.999 3415 V HN 0.391 nan 8.190 nan 0.000 0.447 3416 I N 5.701 126.401 120.570 0.216 0.000 2.382 3416 I HA 0.452 4.610 4.170 -0.019 0.000 0.286 3416 I C -1.060 175.400 176.117 0.572 0.000 1.002 3416 I CA -0.259 61.232 61.300 0.318 0.000 1.135 3416 I CB 1.364 39.547 38.000 0.304 0.000 1.288 3416 I HN 0.349 nan 8.210 nan 0.000 0.448 3417 F N 4.819 124.855 119.950 0.144 0.000 2.402 3417 F HA 0.551 5.066 4.527 -0.020 0.000 0.355 3417 F C 0.441 176.306 175.800 0.110 0.000 1.123 3417 F CA -1.401 56.610 58.000 0.018 0.000 1.021 3417 F CB 1.915 40.927 39.000 0.020 0.000 1.160 3417 F HN 0.420 nan 8.300 nan 0.000 0.451 3418 A N 5.767 128.630 122.820 0.073 0.000 2.654 3418 A HA 0.517 4.825 4.320 -0.019 0.000 0.345 3418 A C 0.487 178.055 177.584 -0.027 0.000 1.368 3418 A CA -0.307 51.746 52.037 0.027 0.000 0.895 3418 A CB -0.291 18.817 19.000 0.181 0.000 1.143 3418 A HN 0.842 nan 8.150 nan 0.000 0.490 3419 L N 0.723 121.939 121.223 -0.010 0.000 2.554 3419 L HA 0.043 4.372 4.340 -0.019 0.000 0.226 3419 L C 0.821 177.678 176.870 -0.022 0.000 1.137 3419 L CA 0.172 55.008 54.840 -0.008 0.000 0.863 3419 L CB -0.178 41.918 42.059 0.061 0.000 0.985 3419 L HN 0.504 nan 8.230 nan 0.000 0.451 3420 S N 0.831 116.505 115.700 -0.044 0.000 2.564 3420 S HA 0.220 4.678 4.470 -0.019 0.000 0.278 3420 S C 0.093 174.661 174.600 -0.054 0.000 1.333 3420 S CA -0.379 57.791 58.200 -0.050 0.000 1.048 3420 S CB 0.559 63.716 63.200 -0.071 0.000 0.900 3420 S HN 0.255 nan 8.310 nan 0.000 0.505 3421 N N 2.478 121.139 118.700 -0.065 0.000 2.265 3421 N HA 0.520 5.248 4.740 -0.019 0.000 0.300 3421 N C -2.701 172.758 175.510 -0.085 0.000 1.148 3421 N CA -1.470 51.526 53.050 -0.091 0.000 0.772 3421 N CB 1.888 40.301 38.487 -0.123 0.000 1.434 3421 N HN 0.295 nan 8.380 nan 0.000 0.481 3422 P HA 0.166 nan 4.420 nan 0.000 0.312 3422 P C 0.539 177.787 177.300 -0.086 0.000 1.308 3422 P CA -0.004 63.030 63.100 -0.109 0.000 0.743 3422 P CB 0.385 32.022 31.700 -0.105 0.000 1.364 3423 T N 0.111 114.602 114.554 -0.106 0.000 2.592 3423 T HA -0.274 4.064 4.350 -0.019 0.000 0.267 3423 T C 1.964 176.677 174.700 0.023 0.000 1.060 3423 T CA 2.622 64.676 62.100 -0.075 0.000 1.167 3423 T CB -1.505 67.306 68.868 -0.094 0.000 0.863 3423 T HN 0.542 nan 8.240 nan 0.000 0.431 3424 A N 0.654 123.478 122.820 0.008 0.000 2.076 3424 A HA -0.145 4.164 4.320 -0.019 0.000 0.220 3424 A C 2.203 179.794 177.584 0.011 0.000 1.160 3424 A CA 1.687 53.737 52.037 0.021 0.000 0.653 3424 A CB -0.603 18.399 19.000 0.004 0.000 0.801 3424 A HN 0.436 nan 8.150 nan 0.000 0.455 3425 Q N -0.881 118.914 119.800 -0.008 0.000 2.360 3425 Q HA 0.456 4.784 4.340 -0.019 0.000 0.202 3425 Q C 0.688 176.672 176.000 -0.027 0.000 0.915 3425 Q CA 0.518 56.307 55.803 -0.024 0.000 0.943 3425 Q CB -0.161 28.553 28.738 -0.040 0.000 1.064 3425 Q HN 0.598 nan 8.270 nan 0.000 0.511 3426 A N 0.384 123.213 122.820 0.015 0.000 2.498 3426 A HA 0.051 4.359 4.320 -0.019 0.000 0.239 3426 A C 0.692 178.269 177.584 -0.012 0.000 1.068 3426 A CA -0.132 51.931 52.037 0.043 0.000 0.766 3426 A CB 0.368 19.494 19.000 0.210 0.000 1.003 3426 A HN 0.261 nan 8.150 nan 0.000 0.497 3427 E N -0.243 119.878 120.200 -0.131 0.000 2.204 3427 E HA 0.005 4.343 4.350 -0.019 0.000 0.195 3427 E C 0.581 177.146 176.600 -0.058 0.000 0.990 3427 E CA 1.551 57.768 56.400 -0.305 0.000 0.821 3427 E CB -0.434 28.642 29.700 -1.039 0.000 0.750 3427 E HN 0.933 nan 8.360 nan 0.000 0.477 3428 C N -3.344 116.001 119.300 0.074 0.000 3.176 3428 C HA 0.588 5.037 4.460 -0.019 0.000 0.343 3428 C C -0.053 174.937 174.990 0.001 0.000 1.332 3428 C CA -0.734 58.326 59.018 0.070 0.000 1.200 3428 C CB 0.852 28.668 27.740 0.126 0.000 1.440 3428 C HN 0.239 nan 8.230 nan 0.000 0.458 3429 T N -0.598 113.788 114.554 -0.280 0.000 2.912 3429 T HA 0.675 5.013 4.350 -0.019 0.000 0.280 3429 T C 1.202 175.262 174.700 -1.068 0.000 0.989 3429 T CA 0.229 61.806 62.100 -0.872 0.000 0.995 3429 T CB 1.450 69.874 68.868 -0.740 0.000 1.077 3429 T HN 2.205 nan 8.240 nan 0.000 0.531 3430 A N 0.642 122.627 122.820 -1.392 0.000 1.902 3430 A HA -0.054 4.254 4.320 -0.019 0.000 0.217 3430 A C 2.272 179.456 177.584 -0.666 0.000 1.181 3430 A CA 1.222 52.569 52.037 -1.150 0.000 0.623 3430 A CB -0.904 17.906 19.000 -0.317 0.000 0.818 3430 A HN 0.924 nan 8.150 nan 0.000 0.443 3431 E N 0.180 120.126 120.200 -0.422 0.000 2.097 3431 E HA -0.238 4.100 4.350 -0.019 0.000 0.196 3431 E C 1.879 178.345 176.600 -0.224 0.000 1.000 3431 E CA 1.676 57.956 56.400 -0.200 0.000 0.804 3431 E CB -0.330 29.285 29.700 -0.142 0.000 0.740 3431 E HN 0.806 nan 8.360 nan 0.000 0.454 3432 E N 0.715 120.728 120.200 -0.312 0.000 2.072 3432 E HA -0.068 4.271 4.350 -0.019 0.000 0.190 3432 E C 2.120 178.546 176.600 -0.290 0.000 0.982 3432 E CA 0.816 57.072 56.400 -0.241 0.000 0.803 3432 E CB -0.106 29.475 29.700 -0.200 0.000 0.755 3432 E HN 0.202 nan 8.360 nan 0.000 0.453 3433 A N 0.763 123.280 122.820 -0.505 0.000 1.877 3433 A HA -0.196 4.113 4.320 -0.019 0.000 0.216 3433 A C 1.920 179.229 177.584 -0.457 0.000 1.186 3433 A CA 1.322 53.029 52.037 -0.549 0.000 0.620 3433 A CB -0.944 17.453 19.000 -1.006 0.000 0.822 3433 A HN 0.312 nan 8.150 nan 0.000 0.443 3434 Y N 0.151 120.221 120.300 -0.383 0.000 2.263 3434 Y HA -0.148 4.390 4.550 -0.020 0.000 0.292 3434 Y C 2.979 178.707 175.900 -0.287 0.000 1.130 3434 Y CA 1.308 59.174 58.100 -0.391 0.000 1.179 3434 Y CB -0.329 37.875 38.460 -0.427 0.000 0.998 3434 Y HN 0.295 nan 8.280 nan 0.000 0.532 3435 T N 0.536 115.051 114.554 -0.064 0.000 2.698 3435 T HA -0.116 4.223 4.350 -0.019 0.000 0.260 3435 T C 1.822 176.483 174.700 -0.064 0.000 1.044 3435 T CA 1.040 63.109 62.100 -0.053 0.000 1.149 3435 T CB -0.545 68.294 68.868 -0.048 0.000 0.864 3435 T HN 0.213 nan 8.240 nan 0.000 0.419 3436 L N 1.753 122.925 121.223 -0.085 0.000 2.450 3436 L HA -0.035 4.293 4.340 -0.019 0.000 0.224 3436 L C 2.374 179.202 176.870 -0.070 0.000 1.149 3436 L CA 1.229 56.025 54.840 -0.072 0.000 0.816 3436 L CB -0.900 41.112 42.059 -0.078 0.000 0.932 3436 L HN 0.487 nan 8.230 nan 0.000 0.449 3437 T N -5.430 109.075 114.554 -0.081 0.000 3.040 3437 T HA 0.138 4.477 4.350 -0.019 0.000 0.266 3437 T C 0.545 175.212 174.700 -0.055 0.000 1.005 3437 T CA -0.368 61.692 62.100 -0.067 0.000 0.906 3437 T CB 0.191 69.013 68.868 -0.077 0.000 1.082 3437 T HN 0.300 nan 8.240 nan 0.000 0.531 3438 E N 0.889 121.056 120.200 -0.055 0.000 2.320 3438 E HA -0.180 4.159 4.350 -0.019 0.000 0.234 3438 E C 0.928 177.497 176.600 -0.052 0.000 1.183 3438 E CA 0.345 56.724 56.400 -0.035 0.000 0.713 3438 E CB -1.883 27.811 29.700 -0.010 0.000 1.226 3438 E HN 0.959 nan 8.360 nan 0.000 0.382 3439 G N 0.028 108.718 108.800 -0.183 0.000 2.168 3439 G HA2 -0.406 3.543 3.960 -0.019 0.000 0.257 3439 G HA3 -0.406 3.543 3.960 -0.019 0.000 0.257 3439 G C 0.707 175.507 174.900 -0.166 0.000 0.997 3439 G CA 0.773 45.593 45.100 -0.467 0.000 0.708 3439 G HN 0.442 nan 8.290 nan 0.000 0.520 3440 R N -0.725 119.740 120.500 -0.057 0.000 2.290 3440 R HA 0.223 4.551 4.340 -0.019 0.000 0.197 3440 R C 1.924 178.251 176.300 0.044 0.000 0.913 3440 R CA 0.707 56.820 56.100 0.022 0.000 1.040 3440 R CB -0.001 30.307 30.300 0.015 0.000 0.992 3440 R HN 0.755 nan 8.270 nan 0.000 0.500 3441 C N -0.477 118.843 119.300 0.034 0.000 2.347 3441 C HA 0.609 5.058 4.460 -0.019 0.000 0.366 3441 C C 0.284 175.386 174.990 0.188 0.000 1.241 3441 C CA -1.211 57.853 59.018 0.076 0.000 2.360 3441 C CB 0.246 27.997 27.740 0.018 0.000 2.290 3441 C HN 0.169 nan 8.230 nan 0.000 0.587 3442 L N 1.941 123.289 121.223 0.208 0.000 2.318 3442 L HA 0.490 4.819 4.340 -0.019 0.000 0.277 3442 L C -0.573 176.507 176.870 0.350 0.000 1.008 3442 L CA -0.063 54.950 54.840 0.288 0.000 0.846 3442 L CB 0.778 42.973 42.059 0.226 0.000 1.220 3442 L HN 0.743 nan 8.230 nan 0.000 0.423 3443 F N 3.365 123.400 119.950 0.142 0.000 2.480 3443 F HA 0.822 5.337 4.527 -0.019 0.000 0.329 3443 F C -0.276 175.535 175.800 0.019 0.000 1.091 3443 F CA -0.507 57.504 58.000 0.018 0.000 0.972 3443 F CB 1.678 40.445 39.000 -0.388 0.000 1.150 3443 F HN 0.428 nan 8.300 nan 0.000 0.467 3444 A N 3.242 125.387 122.820 -1.124 0.000 2.520 3444 A HA 0.739 5.047 4.320 -0.019 0.000 0.298 3444 A C -1.341 175.553 177.584 -1.151 0.000 1.051 3444 A CA -0.198 51.257 52.037 -0.969 0.000 0.690 3444 A CB 1.349 19.649 19.000 -1.166 0.000 1.281 3444 A HN 1.056 nan 8.150 nan 0.000 0.402 3445 S N 0.233 115.588 115.700 -0.575 0.000 2.595 3445 S HA 0.702 5.160 4.470 -0.019 0.000 0.281 3445 S C 0.828 175.347 174.600 -0.135 0.000 1.117 3445 S CA -0.046 57.998 58.200 -0.261 0.000 0.873 3445 S CB 1.408 64.717 63.200 0.181 0.000 1.108 3445 S HN 1.697 nan 8.310 nan 0.000 0.477 3446 G N 0.912 109.660 108.800 -0.087 0.000 2.394 3446 G HA2 0.177 4.125 3.960 -0.019 0.000 0.215 3446 G HA3 0.177 4.125 3.960 -0.019 0.000 0.215 3446 G C 0.369 175.210 174.900 -0.097 0.000 1.165 3446 G CA 0.346 45.400 45.100 -0.077 0.000 0.784 3446 G HN 0.729 nan 8.290 nan 0.000 0.535 3447 S N 1.228 116.835 115.700 -0.154 0.000 2.654 3447 S HA 0.533 4.991 4.470 -0.019 0.000 0.283 3447 S C -2.538 171.860 174.600 -0.336 0.000 1.180 3447 S CA -1.046 57.008 58.200 -0.243 0.000 1.021 3447 S CB 2.186 65.201 63.200 -0.308 0.000 1.018 3447 S HN 0.108 nan 8.310 nan 0.000 0.532 3448 P HA 0.384 nan 4.420 nan 0.000 0.275 3448 P C -1.342 175.731 177.300 -0.379 0.000 1.227 3448 P CA -0.149 62.829 63.100 -0.203 0.000 0.781 3448 P CB 0.248 31.910 31.700 -0.064 0.000 0.906 3449 F N 0.318 120.349 119.950 0.135 0.000 2.569 3449 F HA 0.458 4.974 4.527 -0.020 0.000 0.312 3449 F C 1.169 177.057 175.800 0.147 0.000 1.109 3449 F CA -0.725 57.361 58.000 0.143 0.000 0.919 3449 F CB 2.188 41.303 39.000 0.192 0.000 1.211 3449 F HN 0.322 nan 8.300 nan 0.000 0.446 3450 G N 1.972 110.961 108.800 0.315 0.000 2.653 3450 G HA2 0.433 4.382 3.960 -0.019 0.000 0.265 3450 G HA3 0.433 4.382 3.960 -0.019 0.000 0.265 3450 G C -2.572 172.462 174.900 0.224 0.000 1.237 3450 G CA -1.170 44.060 45.100 0.217 0.000 0.946 3450 G HN 0.344 nan 8.290 nan 0.000 0.522 3451 P HA 0.179 nan 4.420 nan 0.000 0.269 3451 P C -0.691 176.689 177.300 0.134 0.000 1.209 3451 P CA -0.094 63.093 63.100 0.146 0.000 0.776 3451 P CB 1.225 32.978 31.700 0.089 0.000 0.876 3452 V N 3.287 123.281 119.914 0.133 0.000 2.448 3452 V HA 0.316 4.425 4.120 -0.019 0.000 0.295 3452 V C 0.496 176.652 176.094 0.104 0.000 1.025 3452 V CA -0.539 61.836 62.300 0.124 0.000 0.859 3452 V CB 1.371 33.307 31.823 0.189 0.000 0.988 3452 V HN 0.550 nan 8.190 nan 0.000 0.431 3453 K N 6.139 126.587 120.400 0.079 0.000 2.293 3453 K HA 0.609 4.917 4.320 -0.019 0.000 0.267 3453 K C -0.816 175.827 176.600 0.072 0.000 1.010 3453 K CA -0.579 55.746 56.287 0.064 0.000 0.875 3453 K CB 0.875 33.396 32.500 0.035 0.000 1.106 3453 K HN 0.633 nan 8.250 nan 0.000 0.450 3454 L N 3.290 124.574 121.223 0.101 0.000 2.453 3454 L HA 0.131 4.459 4.340 -0.019 0.000 0.261 3454 L C 2.020 178.921 176.870 0.053 0.000 1.179 3454 L CA -0.479 54.411 54.840 0.083 0.000 0.813 3454 L CB 0.986 43.117 42.059 0.121 0.000 1.110 3454 L HN 0.887 nan 8.230 nan 0.000 0.466 3455 T N -2.575 112.002 114.554 0.038 0.000 2.822 3455 T HA -0.222 4.116 4.350 -0.019 0.000 0.270 3455 T C 0.986 175.701 174.700 0.026 0.000 1.064 3455 T CA 1.498 63.614 62.100 0.026 0.000 1.131 3455 T CB -0.569 68.311 68.868 0.019 0.000 0.858 3455 T HN 0.813 nan 8.240 nan 0.000 0.483 3456 D N 0.528 120.949 120.400 0.034 0.000 2.336 3456 D HA 0.308 4.937 4.640 -0.019 0.000 0.229 3456 D C 1.634 177.947 176.300 0.021 0.000 1.061 3456 D CA 0.510 54.527 54.000 0.029 0.000 0.875 3456 D CB -0.665 40.157 40.800 0.037 0.000 0.904 3456 D HN 0.594 nan 8.370 nan 0.000 0.525 3457 G N -0.037 108.775 108.800 0.021 0.000 2.217 3457 G HA2 -0.331 3.617 3.960 -0.019 0.000 0.246 3457 G HA3 -0.331 3.617 3.960 -0.019 0.000 0.246 3457 G C 0.353 175.245 174.900 -0.013 0.000 0.990 3457 G CA -0.118 44.985 45.100 0.004 0.000 0.627 3457 G HN 0.465 nan 8.290 nan 0.000 0.522 3458 R N -0.119 120.380 120.500 -0.002 0.000 2.543 3458 R HA 0.509 4.838 4.340 -0.019 0.000 0.277 3458 R C -0.134 176.102 176.300 -0.105 0.000 1.074 3458 R CA -0.035 56.017 56.100 -0.079 0.000 1.076 3458 R CB 1.330 31.614 30.300 -0.026 0.000 0.993 3458 R HN 0.104 nan 8.270 nan 0.000 0.459 3459 V N 4.406 124.150 119.914 -0.284 0.000 2.409 3459 V HA 0.369 4.477 4.120 -0.019 0.000 0.291 3459 V C -0.851 174.953 176.094 -0.484 0.000 1.020 3459 V CA -0.567 61.595 62.300 -0.230 0.000 0.848 3459 V CB 1.068 32.809 31.823 -0.136 0.000 0.990 3459 V HN 0.518 nan 8.190 nan 0.000 0.430 3460 F N 1.924 121.722 119.950 -0.253 0.000 2.444 3460 F HA 0.520 5.035 4.527 -0.020 0.000 0.342 3460 F C 0.704 176.377 175.800 -0.212 0.000 1.121 3460 F CA -0.484 57.270 58.000 -0.410 0.000 0.997 3460 F CB 2.115 40.425 39.000 -1.150 0.000 1.130 3460 F HN 0.317 nan 8.300 nan 0.000 0.454 3461 T N 5.283 119.877 114.554 0.067 0.000 2.853 3461 T HA 0.283 4.622 4.350 -0.019 0.000 0.317 3461 T C -2.578 172.298 174.700 0.294 0.000 1.059 3461 T CA -1.475 60.723 62.100 0.163 0.000 0.954 3461 T CB 0.611 69.541 68.868 0.104 0.000 0.994 3461 T HN 0.222 nan 8.240 nan 0.000 0.479 3462 P HA 0.300 nan 4.420 nan 0.000 0.275 3462 P C 0.269 177.788 177.300 0.364 0.000 1.228 3462 P CA -0.184 63.248 63.100 0.553 0.000 0.786 3462 P CB 0.949 33.113 31.700 0.772 0.000 0.927 3463 G N 1.537 110.517 108.800 0.301 0.000 2.477 3463 G HA2 0.283 4.231 3.960 -0.019 0.000 0.304 3463 G HA3 0.283 4.231 3.960 -0.019 0.000 0.304 3463 G C -0.942 174.070 174.900 0.186 0.000 1.175 3463 G CA -0.496 44.776 45.100 0.286 0.000 0.907 3463 G HN 0.552 nan 8.290 nan 0.000 0.509 3464 Q N 0.176 120.057 119.800 0.136 0.000 2.431 3464 Q HA 0.426 4.755 4.340 -0.019 0.000 0.249 3464 Q C 0.303 176.145 176.000 -0.264 0.000 1.025 3464 Q CA -0.621 55.181 55.803 -0.001 0.000 0.835 3464 Q CB 0.913 29.692 28.738 0.068 0.000 1.207 3464 Q HN 0.584 nan 8.270 nan 0.000 0.490 3465 G N 4.251 112.849 108.800 -0.337 0.000 2.915 3465 G HA2 0.048 3.996 3.960 -0.019 0.000 0.298 3465 G HA3 0.048 3.996 3.960 -0.019 0.000 0.298 3465 G C -0.392 174.404 174.900 -0.173 0.000 0.837 3465 G CA -0.215 44.609 45.100 -0.461 0.000 1.752 3465 G HN 0.504 nan 8.290 nan 0.000 0.526 3466 N N 1.349 119.996 118.700 -0.089 0.000 2.269 3466 N HA 0.050 4.778 4.740 -0.019 0.000 0.304 3466 N C 0.897 176.477 175.510 0.116 0.000 1.072 3466 N CA -0.679 52.403 53.050 0.052 0.000 0.802 3466 N CB 1.457 40.000 38.487 0.092 0.000 1.348 3466 N HN 0.262 nan 8.380 nan 0.000 0.484 3467 N N 1.891 120.709 118.700 0.197 0.000 2.635 3467 N HA -0.124 4.604 4.740 -0.019 0.000 0.191 3467 N C 1.351 176.946 175.510 0.141 0.000 1.155 3467 N CA 0.374 53.576 53.050 0.254 0.000 0.927 3467 N CB -0.172 38.541 38.487 0.377 0.000 0.976 3467 N HN 0.274 nan 8.380 nan 0.000 0.448 3468 V N -0.536 119.372 119.914 -0.010 0.000 2.759 3468 V HA -0.165 3.944 4.120 -0.019 0.000 0.256 3468 V C 1.098 176.847 176.094 -0.574 0.000 1.080 3468 V CA 1.282 63.257 62.300 -0.541 0.000 1.101 3468 V CB -0.743 30.798 31.823 -0.470 0.000 0.698 3468 V HN 0.315 nan 8.190 nan 0.000 0.477 3469 Y N -0.942 119.192 120.300 -0.277 0.000 2.516 3469 Y HA 0.015 4.553 4.550 -0.020 0.000 0.291 3469 Y C 2.066 177.854 175.900 -0.187 0.000 1.131 3469 Y CA 0.997 58.967 58.100 -0.216 0.000 1.281 3469 Y CB 0.371 38.732 38.460 -0.165 0.000 1.013 3469 Y HN 0.254 nan 8.280 nan 0.000 0.554 3470 I N -1.814 118.736 120.570 -0.033 0.000 3.366 3470 I HA -0.118 4.040 4.170 -0.019 0.000 0.267 3470 I C 2.106 178.201 176.117 -0.035 0.000 1.149 3470 I CA 0.628 61.937 61.300 0.015 0.000 1.436 3470 I CB -1.417 36.688 38.000 0.177 0.000 1.379 3470 I HN 0.163 nan 8.210 nan 0.000 0.460 3471 F N 2.414 122.411 119.950 0.077 0.000 2.161 3471 F HA 0.033 4.548 4.527 -0.020 0.000 0.300 3471 F C -0.759 174.925 175.800 -0.194 0.000 1.089 3471 F CA 0.764 58.791 58.000 0.045 0.000 1.282 3471 F CB -2.809 36.357 39.000 0.276 0.000 1.010 3471 F HN 0.063 nan 8.300 nan 0.000 0.485 3472 P HA -0.029 nan 4.420 nan 0.000 0.215 3472 P C 2.109 179.242 177.300 -0.277 0.000 1.157 3472 P CA 2.393 65.255 63.100 -0.396 0.000 0.863 3472 P CB -0.441 30.996 31.700 -0.438 0.000 0.787 3473 G N -0.461 108.210 108.800 -0.216 0.000 2.402 3473 G HA2 -0.197 3.751 3.960 -0.019 0.000 0.216 3473 G HA3 -0.197 3.751 3.960 -0.019 0.000 0.216 3473 G C 1.582 176.391 174.900 -0.152 0.000 1.162 3473 G CA 0.704 45.715 45.100 -0.149 0.000 0.777 3473 G HN 0.143 nan 8.290 nan 0.000 0.539 3474 V N 1.513 121.314 119.914 -0.187 0.000 2.358 3474 V HA -0.072 4.037 4.120 -0.019 0.000 0.246 3474 V C 3.307 179.269 176.094 -0.220 0.000 1.047 3474 V CA 1.850 63.994 62.300 -0.260 0.000 1.035 3474 V CB -0.872 30.691 31.823 -0.433 0.000 0.658 3474 V HN 0.459 nan 8.190 nan 0.000 0.452 3475 A N 0.151 122.854 122.820 -0.196 0.000 1.883 3475 A HA -0.230 4.079 4.320 -0.019 0.000 0.217 3475 A C 2.192 179.724 177.584 -0.088 0.000 1.186 3475 A CA 2.233 54.195 52.037 -0.125 0.000 0.624 3475 A CB -0.679 18.127 19.000 -0.323 0.000 0.822 3475 A HN 0.438 nan 8.150 nan 0.000 0.444 3476 L N -0.199 120.949 121.223 -0.124 0.000 2.012 3476 L HA -0.134 4.194 4.340 -0.019 0.000 0.210 3476 L C 2.712 179.565 176.870 -0.028 0.000 1.073 3476 L CA 2.388 57.188 54.840 -0.066 0.000 0.748 3476 L CB -0.907 41.106 42.059 -0.077 0.000 0.891 3476 L HN 0.370 nan 8.230 nan 0.000 0.431 3477 A N -1.290 121.509 122.820 -0.036 0.000 1.877 3477 A HA -0.151 4.158 4.320 -0.019 0.000 0.216 3477 A C 2.260 179.854 177.584 0.018 0.000 1.186 3477 A CA 2.031 54.073 52.037 0.008 0.000 0.620 3477 A CB -1.143 17.849 19.000 -0.013 0.000 0.822 3477 A HN 0.309 nan 8.150 nan 0.000 0.443 3478 V N 0.142 120.043 119.914 -0.021 0.000 2.407 3478 V HA -0.269 3.839 4.120 -0.019 0.000 0.248 3478 V C 2.399 178.517 176.094 0.039 0.000 1.055 3478 V CA 2.033 64.332 62.300 -0.000 0.000 1.049 3478 V CB -0.673 31.139 31.823 -0.019 0.000 0.662 3478 V HN 0.561 nan 8.190 nan 0.000 0.455 3479 I N -0.597 119.998 120.570 0.041 0.000 2.233 3479 I HA -0.205 3.954 4.170 -0.019 0.000 0.243 3479 I C 2.255 178.413 176.117 0.069 0.000 1.093 3479 I CA 1.449 62.779 61.300 0.050 0.000 1.380 3479 I CB -0.246 37.776 38.000 0.038 0.000 1.067 3479 I HN 0.236 nan 8.210 nan 0.000 0.413 3480 L N -0.227 121.042 121.223 0.077 0.000 2.191 3480 L HA -0.212 4.117 4.340 -0.019 0.000 0.212 3480 L C 2.139 179.163 176.870 0.256 0.000 1.103 3480 L CA 0.892 55.816 54.840 0.139 0.000 0.769 3480 L CB -0.548 41.577 42.059 0.110 0.000 0.908 3480 L HN 0.402 nan 8.230 nan 0.000 0.438 3481 C N -0.227 119.176 119.300 0.171 0.000 2.697 3481 C HA 0.118 4.567 4.460 -0.019 0.000 0.267 3481 C C 1.096 176.127 174.990 0.069 0.000 1.278 3481 C CA -0.421 58.645 59.018 0.080 0.000 1.708 3481 C CB -1.902 25.789 27.740 -0.082 0.000 1.860 3481 C HN 0.618 nan 8.230 nan 0.000 0.589 3482 N N 0.738 119.509 118.700 0.119 0.000 2.727 3482 N HA -0.146 4.582 4.740 -0.019 0.000 0.249 3482 N C -0.404 175.207 175.510 0.169 0.000 1.048 3482 N CA 0.238 53.372 53.050 0.140 0.000 0.714 3482 N CB -0.839 37.763 38.487 0.190 0.000 0.959 3482 N HN 0.496 nan 8.380 nan 0.000 0.544 3483 T N -0.171 114.454 114.554 0.118 0.000 2.930 3483 T HA 0.079 4.417 4.350 -0.019 0.000 0.306 3483 T C 1.535 176.277 174.700 0.071 0.000 1.045 3483 T CA 0.059 62.244 62.100 0.142 0.000 1.134 3483 T CB 1.291 70.202 68.868 0.073 0.000 0.961 3483 T HN 0.225 nan 8.240 nan 0.000 0.545 3484 R N 0.681 121.206 120.500 0.042 0.000 2.128 3484 R HA 0.128 4.457 4.340 -0.019 0.000 0.211 3484 R C 0.008 175.968 176.300 -0.566 0.000 1.067 3484 R CA 0.644 56.582 56.100 -0.270 0.000 1.010 3484 R CB 0.241 30.338 30.300 -0.338 0.000 0.922 3484 R HN 0.672 nan 8.270 nan 0.000 0.457 3485 H N -1.164 117.978 119.070 0.120 0.000 2.930 3485 H HA 0.388 4.931 4.556 -0.021 0.000 0.371 3485 H C -1.086 174.326 175.328 0.140 0.000 1.169 3485 H CA -0.669 55.458 56.048 0.131 0.000 1.157 3485 H CB 2.112 31.939 29.762 0.109 0.000 1.789 3485 H HN -0.103 nan 8.280 nan 0.000 0.547 3486 I N 2.513 123.246 120.570 0.272 0.000 2.312 3486 I HA 0.254 4.412 4.170 -0.019 0.000 0.290 3486 I C 0.161 176.431 176.117 0.256 0.000 1.008 3486 I CA -0.598 60.831 61.300 0.215 0.000 1.226 3486 I CB 1.066 39.191 38.000 0.209 0.000 1.371 3486 I HN 0.575 nan 8.210 nan 0.000 0.468 3487 S N 3.106 118.935 115.700 0.215 0.000 2.652 3487 S HA 0.241 4.699 4.470 -0.019 0.000 0.270 3487 S C 0.647 175.409 174.600 0.270 0.000 1.243 3487 S CA -0.752 57.581 58.200 0.221 0.000 0.999 3487 S CB 1.767 65.083 63.200 0.192 0.000 0.973 3487 S HN 0.538 nan 8.310 nan 0.000 0.544 3488 D N 1.370 121.926 120.400 0.260 0.000 2.178 3488 D HA -0.103 4.525 4.640 -0.019 0.000 0.201 3488 D C 2.213 178.665 176.300 0.253 0.000 0.980 3488 D CA 1.710 55.892 54.000 0.302 0.000 0.842 3488 D CB -0.505 40.415 40.800 0.200 0.000 0.948 3488 D HN 0.735 nan 8.370 nan 0.000 0.472 3489 S N 0.149 115.949 115.700 0.166 0.000 2.419 3489 S HA -0.122 4.337 4.470 -0.019 0.000 0.235 3489 S C 2.204 176.727 174.600 -0.129 0.000 1.019 3489 S CA 0.663 58.906 58.200 0.071 0.000 0.982 3489 S CB -0.584 62.715 63.200 0.164 0.000 0.789 3489 S HN 0.068 nan 8.310 nan 0.000 0.490 3490 V N 0.787 120.646 119.914 -0.092 0.000 2.407 3490 V HA -0.104 4.004 4.120 -0.019 0.000 0.248 3490 V C 2.131 177.982 176.094 -0.404 0.000 1.055 3490 V CA 1.815 63.915 62.300 -0.333 0.000 1.049 3490 V CB -0.983 30.649 31.823 -0.318 0.000 0.662 3490 V HN 0.515 nan 8.190 nan 0.000 0.455 3491 F N -0.923 118.967 119.950 -0.101 0.000 2.325 3491 F HA -0.022 4.494 4.527 -0.018 0.000 0.299 3491 F C 2.073 177.837 175.800 -0.061 0.000 1.090 3491 F CA 1.071 59.031 58.000 -0.067 0.000 1.392 3491 F CB -0.317 38.677 39.000 -0.009 0.000 1.053 3491 F HN 0.050 nan 8.300 nan 0.000 0.521 3492 L N -0.008 121.260 121.223 0.074 0.000 2.056 3492 L HA -0.200 4.129 4.340 -0.019 0.000 0.207 3492 L C 2.516 179.345 176.870 -0.067 0.000 1.078 3492 L CA 1.505 56.361 54.840 0.026 0.000 0.749 3492 L CB -0.211 41.859 42.059 0.019 0.000 0.901 3492 L HN 0.047 nan 8.230 nan 0.000 0.433 3493 E N 0.285 120.352 120.200 -0.222 0.000 2.110 3493 E HA -0.195 4.144 4.350 -0.019 0.000 0.193 3493 E C 1.982 178.485 176.600 -0.163 0.000 0.988 3493 E CA 1.530 57.760 56.400 -0.283 0.000 0.804 3493 E CB -0.150 29.158 29.700 -0.653 0.000 0.745 3493 E HN 0.551 nan 8.360 nan 0.000 0.458 3494 A N 0.628 123.354 122.820 -0.156 0.000 1.898 3494 A HA -0.006 4.302 4.320 -0.019 0.000 0.216 3494 A C 2.424 180.002 177.584 -0.011 0.000 1.181 3494 A CA 1.904 53.886 52.037 -0.093 0.000 0.620 3494 A CB -0.944 17.983 19.000 -0.121 0.000 0.819 3494 A HN 0.353 nan 8.150 nan 0.000 0.442 3495 A N 0.062 122.898 122.820 0.027 0.000 1.883 3495 A HA -0.203 4.105 4.320 -0.019 0.000 0.217 3495 A C 2.132 179.737 177.584 0.035 0.000 1.186 3495 A CA 1.903 53.979 52.037 0.065 0.000 0.624 3495 A CB -0.467 18.587 19.000 0.089 0.000 0.822 3495 A HN 0.541 nan 8.150 nan 0.000 0.444 3496 K N -0.489 119.916 120.400 0.009 0.000 2.057 3496 K HA -0.044 4.264 4.320 -0.019 0.000 0.207 3496 K C 2.307 178.909 176.600 0.002 0.000 1.049 3496 K CA 1.092 57.382 56.287 0.005 0.000 0.931 3496 K CB -0.344 32.154 32.500 -0.004 0.000 0.714 3496 K HN 0.438 nan 8.250 nan 0.000 0.440 3497 A N 1.497 124.313 122.820 -0.008 0.000 1.972 3497 A HA -0.152 4.156 4.320 -0.019 0.000 0.219 3497 A C 2.076 179.665 177.584 0.007 0.000 1.169 3497 A CA 1.126 53.161 52.037 -0.003 0.000 0.635 3497 A CB -0.400 18.592 19.000 -0.014 0.000 0.810 3497 A HN 0.242 nan 8.150 nan 0.000 0.446 3498 L N -0.920 120.312 121.223 0.014 0.000 2.023 3498 L HA -0.044 4.284 4.340 -0.019 0.000 0.205 3498 L C 2.482 179.357 176.870 0.008 0.000 1.073 3498 L CA 2.869 57.723 54.840 0.023 0.000 0.745 3498 L CB -1.196 40.891 42.059 0.046 0.000 0.900 3498 L HN 0.322 nan 8.230 nan 0.000 0.435 3499 T N -1.419 113.138 114.554 0.004 0.000 2.867 3499 T HA -0.143 4.195 4.350 -0.019 0.000 0.268 3499 T C 2.044 176.736 174.700 -0.013 0.000 1.057 3499 T CA 1.461 63.549 62.100 -0.021 0.000 1.136 3499 T CB -0.478 68.375 68.868 -0.025 0.000 0.874 3499 T HN 0.691 nan 8.240 nan 0.000 0.466 3500 S N 0.331 116.031 115.700 -0.001 0.000 2.537 3500 S HA -0.055 4.404 4.470 -0.019 0.000 0.240 3500 S C 1.674 176.277 174.600 0.005 0.000 0.981 3500 S CA 0.744 58.946 58.200 0.004 0.000 0.948 3500 S CB -0.460 62.745 63.200 0.008 0.000 0.759 3500 S HN 0.719 nan 8.310 nan 0.000 0.531 3501 Q N -0.078 119.725 119.800 0.005 0.000 2.282 3501 Q HA 0.387 4.715 4.340 -0.019 0.000 0.206 3501 Q C -0.075 175.931 176.000 0.009 0.000 0.878 3501 Q CA -0.191 55.618 55.803 0.010 0.000 0.944 3501 Q CB 0.291 29.040 28.738 0.019 0.000 1.100 3501 Q HN 0.512 nan 8.270 nan 0.000 0.509 3502 L N 2.975 124.196 121.223 -0.002 0.000 2.361 3502 L HA 0.120 4.448 4.340 -0.019 0.000 0.278 3502 L C 0.280 177.151 176.870 0.002 0.000 1.113 3502 L CA -0.107 54.730 54.840 -0.005 0.000 0.849 3502 L CB 0.758 42.801 42.059 -0.027 0.000 1.155 3502 L HN 0.156 nan 8.230 nan 0.000 0.452 3503 T N -1.245 113.313 114.554 0.008 0.000 2.889 3503 T HA 0.167 4.505 4.350 -0.019 0.000 0.291 3503 T C 0.741 175.445 174.700 0.007 0.000 0.995 3503 T CA -0.858 61.247 62.100 0.008 0.000 1.092 3503 T CB 1.314 70.188 68.868 0.010 0.000 0.954 3503 T HN 0.545 nan 8.240 nan 0.000 0.506 3504 D N 1.503 121.906 120.400 0.006 0.000 2.172 3504 D HA -0.161 4.467 4.640 -0.019 0.000 0.196 3504 D C 1.680 177.984 176.300 0.006 0.000 0.999 3504 D CA 1.459 55.463 54.000 0.006 0.000 0.856 3504 D CB -0.170 40.634 40.800 0.006 0.000 0.934 3504 D HN 0.709 nan 8.370 nan 0.000 0.453 3505 E N 0.482 120.685 120.200 0.004 0.000 2.204 3505 E HA -0.150 4.188 4.350 -0.019 0.000 0.195 3505 E C 1.761 178.362 176.600 0.003 0.000 0.990 3505 E CA 0.874 57.274 56.400 0.001 0.000 0.821 3505 E CB -0.126 29.574 29.700 -0.000 0.000 0.750 3505 E HN 0.477 nan 8.360 nan 0.000 0.477 3506 E N -0.019 120.187 120.200 0.010 0.000 2.158 3506 E HA -0.038 4.300 4.350 -0.019 0.000 0.191 3506 E C 1.999 178.614 176.600 0.024 0.000 0.982 3506 E CA 0.316 56.727 56.400 0.019 0.000 0.823 3506 E CB -0.026 29.690 29.700 0.026 0.000 0.766 3506 E HN 0.215 nan 8.360 nan 0.000 0.468 3507 L N 0.970 122.204 121.223 0.018 0.000 2.017 3507 L HA -0.191 4.138 4.340 -0.019 0.000 0.208 3507 L C 2.651 179.543 176.870 0.037 0.000 1.073 3507 L CA 1.032 55.888 54.840 0.027 0.000 0.745 3507 L CB -0.508 41.563 42.059 0.019 0.000 0.894 3507 L HN 0.157 nan 8.230 nan 0.000 0.432 3508 A N -0.442 122.389 122.820 0.017 0.000 1.927 3508 A HA -0.311 3.997 4.320 -0.019 0.000 0.220 3508 A C 2.124 179.695 177.584 -0.022 0.000 1.185 3508 A CA 1.943 53.981 52.037 0.002 0.000 0.639 3508 A CB -0.607 18.384 19.000 -0.015 0.000 0.820 3508 A HN 0.547 nan 8.150 nan 0.000 0.451 3509 Q N -2.073 117.712 119.800 -0.024 0.000 2.437 3509 Q HA 0.169 4.497 4.340 -0.019 0.000 0.210 3509 Q C 1.166 177.162 176.000 -0.006 0.000 0.972 3509 Q CA 0.556 56.322 55.803 -0.061 0.000 0.903 3509 Q CB -0.063 28.655 28.738 -0.033 0.000 0.967 3509 Q HN 1.004 nan 8.270 nan 0.000 0.486 3510 G N 1.094 109.947 108.800 0.088 0.000 2.154 3510 G HA2 -0.222 3.727 3.960 -0.019 0.000 0.186 3510 G HA3 -0.222 3.727 3.960 -0.019 0.000 0.186 3510 G C -0.240 174.786 174.900 0.210 0.000 1.000 3510 G CA -0.583 44.648 45.100 0.217 0.000 0.664 3510 G HN 0.158 nan 8.290 nan 0.000 0.513 3511 R N 0.058 120.635 120.500 0.130 0.000 2.234 3511 R HA 0.567 4.895 4.340 -0.019 0.000 0.324 3511 R C 1.275 177.595 176.300 0.034 0.000 1.054 3511 R CA -0.419 55.748 56.100 0.112 0.000 0.912 3511 R CB 0.611 30.966 30.300 0.092 0.000 1.030 3511 R HN 0.243 nan 8.270 nan 0.000 0.455 3512 L N 3.073 124.274 121.223 -0.036 0.000 2.607 3512 L HA 0.215 4.544 4.340 -0.019 0.000 0.228 3512 L C -0.413 176.091 176.870 -0.610 0.000 1.123 3512 L CA 0.248 54.912 54.840 -0.294 0.000 0.890 3512 L CB 0.168 42.002 42.059 -0.375 0.000 1.103 3512 L HN 0.576 nan 8.230 nan 0.000 0.468 3513 Y N -1.614 118.627 120.300 -0.098 0.000 2.588 3513 Y HA 0.435 4.973 4.550 -0.020 0.000 0.343 3513 Y C -2.400 173.410 175.900 -0.151 0.000 1.065 3513 Y CA -2.754 55.198 58.100 -0.246 0.000 1.038 3513 Y CB 0.945 39.089 38.460 -0.528 0.000 1.297 3513 Y HN -0.239 nan 8.280 nan 0.000 0.467 3514 P HA 0.095 nan 4.420 nan 0.000 0.269 3514 P C -2.600 174.809 177.300 0.183 0.000 1.215 3514 P CA -0.921 62.226 63.100 0.079 0.000 0.780 3514 P CB 0.060 31.809 31.700 0.081 0.000 0.898 3515 P HA -0.057 nan 4.420 nan 0.000 0.264 3515 P C 0.722 178.138 177.300 0.193 0.000 1.183 3515 P CA 0.101 63.297 63.100 0.160 0.000 0.763 3515 P CB 0.290 32.048 31.700 0.097 0.000 0.807 3516 L N 4.578 125.907 121.223 0.178 0.000 2.191 3516 L HA -0.142 4.186 4.340 -0.019 0.000 0.212 3516 L C 2.094 178.968 176.870 0.008 0.000 1.103 3516 L CA 1.838 56.715 54.840 0.062 0.000 0.769 3516 L CB -1.367 40.703 42.059 0.017 0.000 0.908 3516 L HN 0.426 nan 8.230 nan 0.000 0.438 3517 A N -0.737 122.104 122.820 0.035 0.000 2.070 3517 A HA -0.180 4.128 4.320 -0.019 0.000 0.220 3517 A C 1.622 179.211 177.584 0.008 0.000 1.159 3517 A CA 1.777 53.822 52.037 0.015 0.000 0.656 3517 A CB -0.787 18.227 19.000 0.023 0.000 0.800 3517 A HN 0.680 nan 8.150 nan 0.000 0.453 3518 N N -0.846 117.871 118.700 0.029 0.000 2.321 3518 N HA 0.301 5.029 4.740 -0.019 0.000 0.242 3518 N C 0.927 176.449 175.510 0.020 0.000 1.141 3518 N CA -0.139 52.926 53.050 0.025 0.000 0.864 3518 N CB 0.214 38.726 38.487 0.042 0.000 1.100 3518 N HN 0.496 nan 8.380 nan 0.000 0.510 3519 I N 0.542 121.102 120.570 -0.017 0.000 2.454 3519 I HA -0.335 3.824 4.170 -0.019 0.000 0.254 3519 I C 1.658 177.734 176.117 -0.069 0.000 1.156 3519 I CA 1.474 62.735 61.300 -0.066 0.000 1.433 3519 I CB 0.302 38.177 38.000 -0.209 0.000 1.082 3519 I HN 0.204 nan 8.210 nan 0.000 0.432 3520 Q N 0.834 120.600 119.800 -0.057 0.000 1.990 3520 Q HA -0.253 4.075 4.340 -0.019 0.000 0.200 3520 Q C 2.031 178.009 176.000 -0.036 0.000 0.980 3520 Q CA 2.237 58.008 55.803 -0.054 0.000 0.832 3520 Q CB -0.399 28.312 28.738 -0.045 0.000 0.897 3520 Q HN 0.677 nan 8.270 nan 0.000 0.427 3521 E N 0.160 120.349 120.200 -0.020 0.000 2.077 3521 E HA -0.159 4.179 4.350 -0.019 0.000 0.193 3521 E C 1.935 178.535 176.600 -0.000 0.000 0.989 3521 E CA 1.579 57.973 56.400 -0.010 0.000 0.800 3521 E CB -0.407 29.291 29.700 -0.002 0.000 0.746 3521 E HN 0.135 nan 8.360 nan 0.000 0.452 3522 V N 1.645 121.569 119.914 0.016 0.000 2.343 3522 V HA -0.262 3.846 4.120 -0.019 0.000 0.247 3522 V C 2.450 178.553 176.094 0.015 0.000 1.051 3522 V CA 2.067 64.390 62.300 0.038 0.000 1.036 3522 V CB -0.486 31.398 31.823 0.102 0.000 0.654 3522 V HN 0.305 nan 8.190 nan 0.000 0.451 3523 S N -0.057 115.632 115.700 -0.019 0.000 2.368 3523 S HA -0.084 4.374 4.470 -0.019 0.000 0.224 3523 S C 1.926 176.497 174.600 -0.050 0.000 1.029 3523 S CA 1.203 59.368 58.200 -0.057 0.000 0.988 3523 S CB -0.245 62.889 63.200 -0.110 0.000 0.838 3523 S HN 0.392 nan 8.310 nan 0.000 0.462 3524 I N 2.786 123.333 120.570 -0.038 0.000 2.286 3524 I HA -0.111 4.048 4.170 -0.019 0.000 0.248 3524 I C 1.870 177.979 176.117 -0.013 0.000 1.115 3524 I CA 1.090 62.373 61.300 -0.028 0.000 1.392 3524 I CB -1.505 36.480 38.000 -0.024 0.000 1.065 3524 I HN 0.261 nan 8.210 nan 0.000 0.418 3525 N N 1.000 119.697 118.700 -0.006 0.000 2.188 3525 N HA -0.073 4.655 4.740 -0.019 0.000 0.184 3525 N C 2.007 177.518 175.510 0.001 0.000 1.018 3525 N CA 1.059 54.111 53.050 0.003 0.000 0.858 3525 N CB -0.110 38.382 38.487 0.009 0.000 0.989 3525 N HN 0.360 nan 8.380 nan 0.000 0.426 3526 I N 1.055 121.620 120.570 -0.009 0.000 2.252 3526 I HA -0.209 3.950 4.170 -0.019 0.000 0.245 3526 I C 2.283 178.383 176.117 -0.029 0.000 1.102 3526 I CA 0.802 62.089 61.300 -0.022 0.000 1.385 3526 I CB -0.272 37.708 38.000 -0.033 0.000 1.064 3526 I HN 0.048 nan 8.210 nan 0.000 0.414 3527 A N 1.167 123.968 122.820 -0.031 0.000 1.902 3527 A HA -0.180 4.128 4.320 -0.019 0.000 0.217 3527 A C 2.268 179.866 177.584 0.023 0.000 1.181 3527 A CA 1.489 53.513 52.037 -0.021 0.000 0.623 3527 A CB -0.785 18.198 19.000 -0.028 0.000 0.818 3527 A HN 0.378 nan 8.150 nan 0.000 0.443 3528 I N -0.969 119.619 120.570 0.030 0.000 2.179 3528 I HA -0.259 3.899 4.170 -0.019 0.000 0.242 3528 I C 2.508 178.662 176.117 0.063 0.000 1.088 3528 I CA 1.711 63.045 61.300 0.058 0.000 1.357 3528 I CB -0.240 37.786 38.000 0.043 0.000 1.051 3528 I HN 0.138 nan 8.210 nan 0.000 0.409 3529 K N 0.563 120.988 120.400 0.041 0.000 2.057 3529 K HA -0.101 4.208 4.320 -0.019 0.000 0.207 3529 K C 1.943 178.585 176.600 0.070 0.000 1.049 3529 K CA 1.120 57.435 56.287 0.048 0.000 0.931 3529 K CB -0.488 32.024 32.500 0.020 0.000 0.714 3529 K HN 0.096 nan 8.250 nan 0.000 0.440 3530 V N 0.163 120.097 119.914 0.032 0.000 2.427 3530 V HA -0.233 3.876 4.120 -0.019 0.000 0.248 3530 V C 2.322 178.482 176.094 0.110 0.000 1.051 3530 V CA 2.181 64.502 62.300 0.034 0.000 1.048 3530 V CB -0.592 31.191 31.823 -0.066 0.000 0.666 3530 V HN 0.523 nan 8.190 nan 0.000 0.456 3531 T N -0.531 114.091 114.554 0.112 0.000 2.821 3531 T HA -0.207 4.132 4.350 -0.019 0.000 0.267 3531 T C 1.747 176.580 174.700 0.222 0.000 1.046 3531 T CA 1.872 64.075 62.100 0.172 0.000 1.139 3531 T CB -0.185 68.819 68.868 0.227 0.000 0.871 3531 T HN 0.649 nan 8.240 nan 0.000 0.454 3532 E N -0.818 119.486 120.200 0.174 0.000 2.106 3532 E HA -0.099 4.239 4.350 -0.019 0.000 0.192 3532 E C 1.850 178.537 176.600 0.145 0.000 0.984 3532 E CA 1.117 57.605 56.400 0.147 0.000 0.806 3532 E CB -0.254 29.504 29.700 0.097 0.000 0.750 3532 E HN 0.690 nan 8.360 nan 0.000 0.458 3533 Y N 1.445 121.768 120.300 0.038 0.000 2.200 3533 Y HA -0.158 4.392 4.550 0.001 0.000 0.290 3533 Y C 1.944 177.843 175.900 -0.001 0.000 1.137 3533 Y CA 1.203 59.311 58.100 0.014 0.000 1.163 3533 Y CB -0.064 38.392 38.460 -0.007 0.000 0.988 3533 Y HN -0.070 nan 8.280 nan 0.000 0.518 3534 L N -1.356 119.911 121.223 0.073 0.000 2.046 3534 L HA -0.252 4.076 4.340 -0.019 0.000 0.208 3534 L C 2.069 178.808 176.870 -0.218 0.000 1.077 3534 L CA 1.548 56.339 54.840 -0.083 0.000 0.747 3534 L CB -0.753 41.262 42.059 -0.073 0.000 0.896 3534 L HN 0.242 nan 8.230 nan 0.000 0.432 3535 Y N -0.413 119.817 120.300 -0.116 0.000 2.220 3535 Y HA -0.185 4.347 4.550 -0.031 0.000 0.291 3535 Y C 2.639 178.436 175.900 -0.171 0.000 1.129 3535 Y CA 1.067 59.078 58.100 -0.147 0.000 1.161 3535 Y CB -0.323 38.065 38.460 -0.120 0.000 0.997 3535 Y HN 0.122 nan 8.280 nan 0.000 0.522 3536 A N 0.130 122.938 122.820 -0.019 0.000 1.978 3536 A HA -0.186 4.122 4.320 -0.019 0.000 0.220 3536 A C 1.573 179.048 177.584 -0.181 0.000 1.170 3536 A CA 1.788 53.766 52.037 -0.097 0.000 0.636 3536 A CB -0.493 18.438 19.000 -0.115 0.000 0.810 3536 A HN 0.462 nan 8.150 nan 0.000 0.448 3537 N N -0.298 118.225 118.700 -0.296 0.000 2.279 3537 N HA 0.142 4.870 4.740 -0.019 0.000 0.226 3537 N C -0.510 174.878 175.510 -0.202 0.000 1.126 3537 N CA 0.062 52.939 53.050 -0.288 0.000 0.846 3537 N CB 0.311 38.516 38.487 -0.471 0.000 1.050 3537 N HN 0.198 nan 8.380 nan 0.000 0.502 3541 F N 1.029 120.888 119.950 -0.151 0.000 2.688 3541 F HA 0.304 4.827 4.527 -0.007 0.000 0.310 3541 F C 1.262 177.136 175.800 0.123 0.000 1.098 3541 F CA -0.249 57.752 58.000 0.001 0.000 1.228 3541 F CB 0.683 39.696 39.000 0.022 0.000 1.042 3541 F HN 0.548 nan 8.300 nan 0.000 0.557 3542 R N 2.301 122.929 120.500 0.213 0.000 2.316 3542 R HA 0.107 4.435 4.340 -0.019 0.000 0.314 3542 R C -1.229 175.264 176.300 0.322 0.000 1.069 3542 R CA 0.008 56.271 56.100 0.271 0.000 0.959 3542 R CB -0.209 30.249 30.300 0.263 0.000 0.987 3542 R HN 0.359 nan 8.270 nan 0.000 0.446 3543 Y N 3.788 124.179 120.300 0.151 0.000 2.446 3543 Y HA 0.700 5.237 4.550 -0.022 0.000 0.345 3543 Y C -2.333 173.611 175.900 0.074 0.000 0.984 3543 Y CA -2.438 55.724 58.100 0.104 0.000 1.058 3543 Y CB 0.930 39.445 38.460 0.092 0.000 1.220 3543 Y HN 0.473 nan 8.280 nan 0.000 0.455 3544 P HA 0.166 nan 4.420 nan 0.000 0.276 3544 P C -1.176 176.102 177.300 -0.036 0.000 1.261 3544 P CA -0.600 62.555 63.100 0.091 0.000 0.800 3544 P CB 1.336 33.062 31.700 0.044 0.000 1.066 3545 E N 1.046 121.186 120.200 -0.101 0.000 2.344 3545 E HA 0.176 4.515 4.350 -0.019 0.000 0.270 3545 E C -1.951 174.370 176.600 -0.465 0.000 1.021 3545 E CA -1.686 54.452 56.400 -0.437 0.000 0.887 3545 E CB 0.070 29.471 29.700 -0.498 0.000 0.997 3545 E HN 0.237 nan 8.360 nan 0.000 0.429 3546 P HA 0.047 nan 4.420 nan 0.000 0.275 3546 P C -0.310 176.780 177.300 -0.350 0.000 1.227 3546 P CA -0.006 62.814 63.100 -0.466 0.000 0.781 3546 P CB 0.822 32.112 31.700 -0.683 0.000 0.906 3547 E N 0.445 120.524 120.200 -0.201 0.000 2.046 3547 E HA -0.115 4.223 4.350 -0.019 0.000 0.190 3547 E C 0.177 176.706 176.600 -0.119 0.000 0.982 3547 E CA 0.976 57.288 56.400 -0.147 0.000 0.800 3547 E CB 0.030 29.676 29.700 -0.091 0.000 0.756 3547 E HN 0.481 nan 8.360 nan 0.000 0.449 3548 D N 0.120 120.471 120.400 -0.081 0.000 2.473 3548 D HA 0.088 4.716 4.640 -0.019 0.000 0.226 3548 D C 0.204 176.503 176.300 -0.002 0.000 1.089 3548 D CA -0.248 53.731 54.000 -0.035 0.000 0.883 3548 D CB 0.912 41.707 40.800 -0.008 0.000 1.029 3548 D HN -0.279 nan 8.370 nan 0.000 0.517 3549 K N 2.233 122.626 120.400 -0.012 0.000 2.152 3549 K HA -0.026 4.282 4.320 -0.019 0.000 0.206 3549 K C 1.794 178.470 176.600 0.127 0.000 1.048 3549 K CA 1.305 57.629 56.287 0.061 0.000 0.933 3549 K CB -0.191 32.336 32.500 0.045 0.000 0.721 3549 K HN 0.459 nan 8.250 nan 0.000 0.447 3550 A N 0.794 123.657 122.820 0.071 0.000 1.898 3550 A HA -0.193 4.115 4.320 -0.019 0.000 0.216 3550 A C 2.117 179.737 177.584 0.059 0.000 1.181 3550 A CA 1.772 53.844 52.037 0.057 0.000 0.620 3550 A CB -0.387 18.632 19.000 0.031 0.000 0.819 3550 A HN 0.275 nan 8.150 nan 0.000 0.442 3551 K N -1.872 118.566 120.400 0.063 0.000 2.097 3551 K HA -0.176 4.133 4.320 -0.019 0.000 0.205 3551 K C 1.918 178.569 176.600 0.086 0.000 1.050 3551 K CA 1.482 57.802 56.287 0.055 0.000 0.938 3551 K CB -0.373 32.154 32.500 0.045 0.000 0.718 3551 K HN 0.495 nan 8.250 nan 0.000 0.442 3552 Y N 1.061 121.353 120.300 -0.013 0.000 2.128 3552 Y HA -0.265 4.277 4.550 -0.014 0.000 0.284 3552 Y C 1.781 177.685 175.900 0.007 0.000 1.154 3552 Y CA 1.653 59.750 58.100 -0.006 0.000 1.149 3552 Y CB -0.371 38.084 38.460 -0.009 0.000 0.976 3552 Y HN -0.154 nan 8.280 nan 0.000 0.505 3553 V N 0.469 120.379 119.914 -0.007 0.000 2.323 3553 V HA -0.267 3.841 4.120 -0.019 0.000 0.244 3553 V C 2.239 178.275 176.094 -0.097 0.000 1.041 3553 V CA 2.258 64.497 62.300 -0.102 0.000 1.025 3553 V CB -0.595 31.235 31.823 0.013 0.000 0.656 3553 V HN 0.287 nan 8.190 nan 0.000 0.451 3554 K N -0.032 120.341 120.400 -0.044 0.000 2.147 3554 K HA -0.198 4.110 4.320 -0.019 0.000 0.205 3554 K C 2.075 178.641 176.600 -0.057 0.000 1.049 3554 K CA 1.603 57.864 56.287 -0.042 0.000 0.936 3554 K CB -0.162 32.325 32.500 -0.022 0.000 0.722 3554 K HN 0.552 nan 8.250 nan 0.000 0.446 3555 E N 0.207 120.367 120.200 -0.066 0.000 2.274 3555 E HA -0.103 4.235 4.350 -0.019 0.000 0.194 3555 E C 1.377 177.926 176.600 -0.084 0.000 0.996 3555 E CA 0.653 57.014 56.400 -0.065 0.000 0.840 3555 E CB 0.187 29.858 29.700 -0.048 0.000 0.772 3555 E HN 0.196 nan 8.360 nan 0.000 0.491 3556 R N 0.797 121.220 120.500 -0.129 0.000 2.359 3556 R HA 0.048 4.377 4.340 -0.019 0.000 0.231 3556 R C 0.257 176.524 176.300 -0.055 0.000 0.913 3556 R CA 0.159 56.188 56.100 -0.118 0.000 1.075 3556 R CB 0.456 30.619 30.300 -0.228 0.000 1.087 3556 R HN 0.049 nan 8.270 nan 0.000 0.515 3557 T N -1.970 112.559 114.554 -0.041 0.000 2.832 3557 T HA 0.098 4.437 4.350 -0.019 0.000 0.296 3557 T C -0.284 174.448 174.700 0.054 0.000 0.968 3557 T CA -0.798 61.306 62.100 0.006 0.000 1.107 3557 T CB 1.158 70.016 68.868 -0.017 0.000 0.916 3557 T HN 0.220 nan 8.240 nan 0.000 0.517 3558 W N 3.290 124.533 121.300 -0.096 0.000 2.181 3558 W HA 0.486 5.133 4.660 -0.020 0.000 0.335 3558 W C 0.285 176.742 176.519 -0.103 0.000 1.310 3558 W CA -0.580 56.708 57.345 -0.095 0.000 1.226 3558 W CB 0.535 29.927 29.460 -0.114 0.000 1.155 3558 W HN 0.703 nan 8.180 nan 0.000 0.565 3559 R N 1.942 121.958 120.500 -0.806 0.000 2.778 3559 R HA 0.288 4.616 4.340 -0.019 0.000 0.277 3559 R C 1.022 176.511 176.300 -1.352 0.000 0.977 3559 R CA 0.070 55.718 56.100 -0.754 0.000 0.950 3559 R CB 1.747 31.767 30.300 -0.466 0.000 1.165 3559 R HN 0.497 nan 8.270 nan 0.000 0.474 3560 S N 0.475 115.700 115.700 -0.792 0.000 2.593 3560 S HA 0.072 4.530 4.470 -0.019 0.000 0.217 3560 S C -0.176 174.121 174.600 -0.505 0.000 0.966 3560 S CA -0.221 57.601 58.200 -0.631 0.000 0.914 3560 S CB -0.145 62.927 63.200 -0.213 0.000 0.776 3560 S HN 0.529 nan 8.310 nan 0.000 0.523 3561 E N 1.455 121.381 120.200 -0.457 0.000 2.373 3561 E HA 0.117 4.455 4.350 -0.019 0.000 0.267 3561 E C -0.722 175.706 176.600 -0.288 0.000 1.032 3561 E CA -0.385 55.803 56.400 -0.354 0.000 0.889 3561 E CB 0.305 29.865 29.700 -0.234 0.000 0.984 3561 E HN 0.534 nan 8.360 nan 0.000 0.425 3562 Y N 1.073 121.289 120.300 -0.141 0.000 2.597 3562 Y HA -0.033 4.505 4.550 -0.019 0.000 0.336 3562 Y C 1.037 176.874 175.900 -0.106 0.000 1.216 3562 Y CA 0.076 58.103 58.100 -0.122 0.000 1.463 3562 Y CB 0.633 39.022 38.460 -0.118 0.000 1.303 3562 Y HN 0.291 nan 8.280 nan 0.000 0.576 3563 D N 0.875 121.336 120.400 0.102 0.000 2.277 3563 D HA 0.091 4.720 4.640 -0.019 0.000 0.250 3563 D C -0.611 175.715 176.300 0.042 0.000 1.032 3563 D CA -0.412 53.613 54.000 0.042 0.000 0.947 3563 D CB 1.854 42.676 40.800 0.037 0.000 1.159 3563 D HN 0.358 nan 8.370 nan 0.000 0.460 3564 S N 0.421 116.143 115.700 0.036 0.000 2.545 3564 S HA 0.218 4.676 4.470 -0.019 0.000 0.275 3564 S C 0.846 175.479 174.600 0.055 0.000 1.299 3564 S CA -0.537 57.687 58.200 0.040 0.000 1.048 3564 S CB 0.189 63.411 63.200 0.037 0.000 0.938 3564 S HN 0.318 nan 8.310 nan 0.000 0.496 3565 L N 4.902 126.168 121.223 0.072 0.000 2.769 3565 L HA 0.338 4.666 4.340 -0.019 0.000 0.240 3565 L C -0.186 176.731 176.870 0.078 0.000 1.163 3565 L CA -0.097 54.798 54.840 0.092 0.000 0.962 3565 L CB -0.072 42.077 42.059 0.149 0.000 1.258 3565 L HN 0.472 nan 8.230 nan 0.000 0.513 3566 L N 2.506 123.768 121.223 0.064 0.000 2.380 3566 L HA 0.230 4.558 4.340 -0.019 0.000 0.273 3566 L C -1.489 175.411 176.870 0.050 0.000 1.138 3566 L CA -1.511 53.360 54.840 0.051 0.000 0.832 3566 L CB 0.379 42.466 42.059 0.047 0.000 1.124 3566 L HN -0.031 nan 8.230 nan 0.000 0.454 3567 P HA 0.030 nan 4.420 nan 0.000 0.274 3567 P C -0.955 176.384 177.300 0.065 0.000 1.237 3567 P CA -0.482 62.645 63.100 0.045 0.000 0.793 3567 P CB 0.676 32.389 31.700 0.021 0.000 0.977 3568 D N 1.318 121.778 120.400 0.099 0.000 2.383 3568 D HA 0.149 4.778 4.640 -0.019 0.000 0.245 3568 D C -0.645 175.774 176.300 0.198 0.000 1.263 3568 D CA 0.046 54.151 54.000 0.175 0.000 0.936 3568 D CB -0.124 40.814 40.800 0.229 0.000 1.053 3568 D HN -0.076 nan 8.370 nan 0.000 0.507 3569 V N 5.806 125.803 119.914 0.138 0.000 2.435 3569 V HA 0.503 4.612 4.120 -0.019 0.000 0.290 3569 V C -0.478 175.706 176.094 0.150 0.000 1.030 3569 V CA -0.571 61.738 62.300 0.015 0.000 0.881 3569 V CB 0.831 32.640 31.823 -0.024 0.000 0.983 3569 V HN 0.425 nan 8.190 nan 0.000 0.445 3570 Y N 1.104 121.416 120.300 0.020 0.000 2.565 3570 Y HA 0.649 5.188 4.550 -0.019 0.000 0.330 3570 Y C -0.609 175.328 175.900 0.062 0.000 1.150 3570 Y CA -1.338 56.793 58.100 0.051 0.000 1.055 3570 Y CB 0.946 39.457 38.460 0.085 0.000 1.337 3570 Y HN 0.578 nan 8.280 nan 0.000 0.457 3571 E N 1.414 121.747 120.200 0.221 0.000 2.349 3571 E HA 0.111 4.449 4.350 -0.019 0.000 0.265 3571 E C -1.313 175.529 176.600 0.404 0.000 1.064 3571 E CA -0.584 55.917 56.400 0.170 0.000 0.886 3571 E CB 0.892 30.668 29.700 0.127 0.000 1.036 3571 E HN 0.551 nan 8.360 nan 0.000 0.413 3572 W N 3.903 125.247 121.300 0.074 0.000 2.338 3572 W HA 0.240 4.888 4.660 -0.019 0.000 0.307 3572 W C -1.349 175.209 176.519 0.066 0.000 1.167 3572 W CA -2.296 55.106 57.345 0.096 0.000 1.208 3572 W CB -0.280 29.212 29.460 0.053 0.000 1.228 3572 W HN 0.487 nan 8.180 nan 0.000 0.499 3573 P HA 0.000 nan 4.420 nan 0.000 0.216 3573 P CA 0.000 63.162 63.100 0.103 0.000 0.800 3573 P CB 0.000 31.725 31.700 0.042 0.000 0.726