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 2dr0_1_C DATA FIRST_RESID 3021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 3021 S HA 0.000 nan 4.470 nan 0.000 0.327 3021 S C 0.000 174.698 174.600 0.163 0.000 1.055 3021 S CA 0.000 58.255 58.200 0.091 0.000 1.107 3021 S CB 0.000 63.232 63.200 0.053 0.000 0.593 3022 S N 4.112 119.900 115.700 0.146 0.000 2.552 3022 S HA 0.318 4.790 4.470 0.003 0.000 0.289 3022 S C -2.481 172.212 174.600 0.154 0.000 1.304 3022 S CA -0.374 57.899 58.200 0.123 0.000 1.063 3022 S CB 0.162 63.419 63.200 0.096 0.000 0.848 3022 S HN 0.180 nan 8.310 nan 0.000 0.499 3023 P HA 0.125 nan 4.420 nan 0.000 0.266 3023 P C -2.527 174.700 177.300 -0.122 0.000 1.193 3023 P CA -0.818 62.243 63.100 -0.066 0.000 0.770 3023 P CB -0.329 31.330 31.700 -0.069 0.000 0.836 3024 P HA 0.097 nan 4.420 nan 0.000 0.271 3024 P C -0.903 176.403 177.300 0.010 0.000 1.226 3024 P CA 0.324 63.267 63.100 -0.262 0.000 0.765 3024 P CB 0.484 31.813 31.700 -0.619 0.000 0.835 3025 V N 5.199 125.159 119.914 0.077 0.000 2.483 3025 V HA 0.328 4.449 4.120 0.003 0.000 0.297 3025 V C 0.045 176.165 176.094 0.042 0.000 1.027 3025 V CA -0.555 61.810 62.300 0.109 0.000 0.855 3025 V CB 2.145 34.017 31.823 0.082 0.000 0.995 3025 V HN 0.227 nan 8.190 nan 0.000 0.424 3026 V N 3.190 123.087 119.914 -0.029 0.000 2.815 3026 V HA 0.533 4.655 4.120 0.003 0.000 0.314 3026 V C -0.510 175.490 176.094 -0.156 0.000 1.064 3026 V CA -0.739 61.406 62.300 -0.258 0.000 0.952 3026 V CB 2.329 33.654 31.823 -0.830 0.000 1.020 3026 V HN 0.789 nan 8.190 nan 0.000 0.439 3027 D N 2.046 122.351 120.400 -0.159 0.000 2.233 3027 D HA 0.523 5.164 4.640 0.003 0.000 0.240 3027 D C -0.170 176.079 176.300 -0.084 0.000 1.074 3027 D CA 0.115 54.072 54.000 -0.071 0.000 0.838 3027 D CB 2.090 42.851 40.800 -0.065 0.000 1.124 3027 D HN 0.826 nan 8.370 nan 0.000 0.475 3028 T N -1.029 113.523 114.554 -0.005 0.000 2.940 3028 T HA 0.275 4.626 4.350 0.003 0.000 0.288 3028 T C 1.464 176.078 174.700 -0.143 0.000 1.045 3028 T CA -0.682 61.413 62.100 -0.008 0.000 1.018 3028 T CB 1.081 70.105 68.868 0.260 0.000 1.151 3028 T HN 0.010 nan 8.240 nan 0.000 0.529 3029 V N 1.126 120.891 119.914 -0.249 0.000 2.469 3029 V HA -0.119 4.003 4.120 0.003 0.000 0.251 3029 V C 2.068 177.909 176.094 -0.421 0.000 1.064 3029 V CA 1.615 63.699 62.300 -0.360 0.000 1.066 3029 V CB -1.156 30.375 31.823 -0.487 0.000 0.667 3029 V HN 0.856 nan 8.190 nan 0.000 0.461 3030 H N -0.322 118.553 119.070 -0.326 0.000 2.551 3030 H HA 0.509 5.067 4.556 0.003 0.000 0.271 3030 H C 0.986 175.441 175.328 -1.455 0.000 0.984 3030 H CA 0.844 56.464 56.048 -0.713 0.000 1.164 3030 H CB 0.645 30.011 29.762 -0.661 0.000 1.437 3030 H HN 0.517 nan 8.280 nan 0.000 0.550 3031 G N 0.432 108.711 108.800 -0.868 0.000 2.351 3031 G HA2 -0.047 3.914 3.960 0.003 0.000 0.353 3031 G HA3 -0.047 3.914 3.960 0.003 0.000 0.353 3031 G C -1.260 173.682 174.900 0.069 0.000 1.358 3031 G CA -1.166 43.452 45.100 -0.804 0.000 0.995 3031 G HN 0.036 nan 8.290 nan 0.000 0.611 3032 K N -0.540 120.056 120.400 0.327 0.000 2.270 3032 K HA 0.554 4.876 4.320 0.003 0.000 0.276 3032 K C -0.193 176.728 176.600 0.534 0.000 1.023 3032 K CA -0.419 56.086 56.287 0.363 0.000 0.955 3032 K CB 1.696 34.338 32.500 0.236 0.000 0.975 3032 K HN 0.355 nan 8.250 nan 0.000 0.471 3033 V N 4.078 124.202 119.914 0.350 0.000 2.540 3033 V HA 0.255 4.376 4.120 0.003 0.000 0.302 3033 V C -0.676 175.603 176.094 0.308 0.000 1.035 3033 V CA -1.017 61.477 62.300 0.324 0.000 0.873 3033 V CB 1.725 33.760 31.823 0.353 0.000 0.992 3033 V HN 0.571 nan 8.190 nan 0.000 0.428 3034 L N 4.647 126.026 121.223 0.259 0.000 2.296 3034 L HA 0.843 5.185 4.340 0.003 0.000 0.286 3034 L C 0.320 177.263 176.870 0.122 0.000 1.023 3034 L CA 0.484 55.434 54.840 0.183 0.000 0.812 3034 L CB 0.941 43.045 42.059 0.075 0.000 1.223 3034 L HN 0.769 nan 8.230 nan 0.000 0.421 3035 G N 4.982 113.720 108.800 -0.103 0.000 3.008 3035 G HA2 0.593 4.554 3.960 0.003 0.000 0.181 3035 G HA3 0.593 4.554 3.960 0.003 0.000 0.181 3035 G C -1.164 173.407 174.900 -0.548 0.000 1.309 3035 G CA -0.519 44.181 45.100 -0.666 0.000 1.009 3035 G HN 0.746 nan 8.290 nan 0.000 0.584 3036 K N -1.184 118.825 120.400 -0.652 0.000 2.523 3036 K HA 0.561 4.883 4.320 0.003 0.000 0.257 3036 K C -1.798 174.560 176.600 -0.403 0.000 0.932 3036 K CA -0.801 55.235 56.287 -0.418 0.000 0.812 3036 K CB 1.866 34.215 32.500 -0.251 0.000 1.326 3036 K HN 0.277 nan 8.250 nan 0.000 0.433 3037 F N 1.775 121.653 119.950 -0.121 0.000 2.396 3037 F HA 0.408 4.937 4.527 0.002 0.000 0.343 3037 F C -0.245 175.532 175.800 -0.038 0.000 1.104 3037 F CA -0.669 57.291 58.000 -0.066 0.000 1.161 3037 F CB 1.861 40.845 39.000 -0.026 0.000 1.146 3037 F HN 0.119 nan 8.300 nan 0.000 0.522 3038 V N 2.911 122.960 119.914 0.225 0.000 2.623 3038 V HA 0.284 4.405 4.120 0.003 0.000 0.304 3038 V C -0.566 175.606 176.094 0.129 0.000 1.054 3038 V CA -0.720 61.662 62.300 0.137 0.000 0.882 3038 V CB 1.914 33.800 31.823 0.105 0.000 1.002 3038 V HN 0.718 nan 8.190 nan 0.000 0.424 3039 S N 4.272 120.031 115.700 0.099 0.000 2.489 3039 S HA 0.715 5.186 4.470 0.003 0.000 0.291 3039 S C -0.581 174.069 174.600 0.083 0.000 1.151 3039 S CA -0.367 57.884 58.200 0.086 0.000 1.082 3039 S CB 1.424 64.668 63.200 0.073 0.000 1.019 3039 S HN 0.558 nan 8.310 nan 0.000 0.492 3040 L N 2.874 124.141 121.223 0.073 0.000 2.322 3040 L HA 0.545 4.887 4.340 0.003 0.000 0.279 3040 L C 0.048 177.032 176.870 0.191 0.000 1.036 3040 L CA -0.566 54.316 54.840 0.071 0.000 0.807 3040 L CB 1.133 43.131 42.059 -0.102 0.000 1.226 3040 L HN 0.576 nan 8.230 nan 0.000 0.433 3041 E N 3.015 123.336 120.200 0.202 0.000 2.652 3041 E HA 0.315 4.667 4.350 0.003 0.000 0.255 3041 E C 0.893 177.687 176.600 0.322 0.000 0.952 3041 E CA 1.570 58.102 56.400 0.221 0.000 0.947 3041 E CB 0.006 29.825 29.700 0.197 0.000 0.912 3041 E HN 0.891 nan 8.360 nan 0.000 0.489 3042 G N 3.710 112.636 108.800 0.210 0.000 2.246 3042 G HA2 -0.267 3.694 3.960 0.003 0.000 0.273 3042 G HA3 -0.267 3.694 3.960 0.003 0.000 0.273 3042 G C -0.420 174.486 174.900 0.009 0.000 1.055 3042 G CA 0.137 45.299 45.100 0.104 0.000 0.851 3042 G HN 0.334 nan 8.290 nan 0.000 0.500 3043 F N -0.835 119.114 119.950 -0.001 0.000 2.617 3043 F HA 0.649 5.177 4.527 0.002 0.000 0.325 3043 F C 1.059 176.853 175.800 -0.010 0.000 1.179 3043 F CA -0.146 57.846 58.000 -0.014 0.000 0.965 3043 F CB 1.297 40.295 39.000 -0.004 0.000 1.232 3043 F HN 0.169 nan 8.300 nan 0.000 0.461 3044 A N 2.044 124.918 122.820 0.091 0.000 1.829 3044 A HA -0.170 4.151 4.320 0.003 0.000 0.216 3044 A C 1.100 178.720 177.584 0.060 0.000 1.207 3044 A CA 1.186 53.252 52.037 0.048 0.000 0.622 3044 A CB -0.650 18.353 19.000 0.005 0.000 0.846 3044 A HN 0.651 nan 8.150 nan 0.000 0.447 3045 Q N 1.667 121.513 119.800 0.077 0.000 2.244 3045 Q HA 0.210 4.552 4.340 0.003 0.000 0.276 3045 Q C -2.300 173.745 176.000 0.075 0.000 1.122 3045 Q CA -1.905 53.930 55.803 0.054 0.000 0.920 3045 Q CB 0.225 29.011 28.738 0.080 0.000 1.186 3045 Q HN 0.436 nan 8.270 nan 0.000 0.393 3046 P HA 0.060 nan 4.420 nan 0.000 0.274 3046 P C -0.889 176.512 177.300 0.167 0.000 1.231 3046 P CA -0.326 62.801 63.100 0.045 0.000 0.790 3046 P CB 0.936 32.587 31.700 -0.081 0.000 0.951 3047 V N 1.859 121.897 119.914 0.207 0.000 2.546 3047 V HA 0.374 4.496 4.120 0.003 0.000 0.284 3047 V C 0.889 177.173 176.094 0.316 0.000 1.050 3047 V CA -0.525 61.925 62.300 0.251 0.000 0.981 3047 V CB 0.668 32.608 31.823 0.194 0.000 0.990 3047 V HN 0.746 nan 8.190 nan 0.000 0.474 3048 A N 6.579 129.575 122.820 0.294 0.000 2.320 3048 A HA 0.740 5.061 4.320 0.003 0.000 0.287 3048 A C -0.431 177.095 177.584 -0.096 0.000 1.181 3048 A CA -0.292 51.753 52.037 0.014 0.000 0.831 3048 A CB -0.010 19.075 19.000 0.143 0.000 1.102 3048 A HN 0.774 nan 8.150 nan 0.000 0.513 3049 I N 2.475 122.778 120.570 -0.445 0.000 2.436 3049 I HA 0.398 4.570 4.170 0.003 0.000 0.289 3049 I C -1.348 174.334 176.117 -0.725 0.000 1.010 3049 I CA -0.263 60.758 61.300 -0.465 0.000 1.098 3049 I CB 1.614 39.397 38.000 -0.362 0.000 1.266 3049 I HN 0.548 nan 8.210 nan 0.000 0.434 3050 F N 6.627 126.451 119.950 -0.209 0.000 2.449 3050 F HA 0.538 5.066 4.527 0.002 0.000 0.342 3050 F C -0.309 175.376 175.800 -0.193 0.000 1.127 3050 F CA -0.617 57.312 58.000 -0.119 0.000 0.975 3050 F CB 1.287 40.331 39.000 0.074 0.000 1.146 3050 F HN 0.087 nan 8.300 nan 0.000 0.444 3051 L N 2.792 123.965 121.223 -0.084 0.000 2.313 3051 L HA 0.674 5.016 4.340 0.003 0.000 0.283 3051 L C 0.646 177.470 176.870 -0.077 0.000 1.013 3051 L CA -0.897 53.863 54.840 -0.133 0.000 0.816 3051 L CB 1.595 43.436 42.059 -0.362 0.000 1.236 3051 L HN 0.917 nan 8.230 nan 0.000 0.419 3052 G N 3.695 112.485 108.800 -0.016 0.000 2.248 3052 G HA2 -0.222 3.739 3.960 0.003 0.000 0.252 3052 G HA3 -0.222 3.739 3.960 0.003 0.000 0.252 3052 G C -0.250 174.747 174.900 0.163 0.000 1.085 3052 G CA -0.497 44.591 45.100 -0.020 0.000 0.845 3052 G HN 0.498 nan 8.290 nan 0.000 0.494 3053 I N 2.184 122.834 120.570 0.133 0.000 2.371 3053 I HA 0.255 4.427 4.170 0.003 0.000 0.290 3053 I C -1.446 174.680 176.117 0.015 0.000 1.028 3053 I CA -2.205 59.125 61.300 0.049 0.000 1.345 3053 I CB 1.390 39.344 38.000 -0.076 0.000 1.407 3053 I HN 0.014 nan 8.210 nan 0.000 0.501 3054 P HA 0.079 nan 4.420 nan 0.000 0.281 3054 P C -0.356 176.803 177.300 -0.236 0.000 1.252 3054 P CA -0.087 62.775 63.100 -0.396 0.000 0.778 3054 P CB 0.676 32.157 31.700 -0.365 0.000 0.895 3055 F N 1.021 120.752 119.950 -0.365 0.000 2.688 3055 F HA 0.761 5.290 4.527 0.002 0.000 0.310 3055 F C -0.113 175.665 175.800 -0.038 0.000 1.098 3055 F CA -0.909 56.937 58.000 -0.257 0.000 1.228 3055 F CB 0.187 38.968 39.000 -0.365 0.000 1.042 3055 F HN 0.402 nan 8.300 nan 0.000 0.557 3056 A N 0.768 123.339 122.820 -0.416 0.000 2.586 3056 A HA 0.525 4.847 4.320 0.003 0.000 0.290 3056 A C -1.372 176.025 177.584 -0.313 0.000 1.086 3056 A CA -1.130 50.732 52.037 -0.292 0.000 0.665 3056 A CB 0.861 19.617 19.000 -0.406 0.000 1.279 3056 A HN 0.269 nan 8.150 nan 0.000 0.423 3057 K N 0.842 121.124 120.400 -0.196 0.000 2.249 3057 K HA 0.481 4.802 4.320 0.003 0.000 0.280 3057 K C -2.479 173.998 176.600 -0.204 0.000 1.033 3057 K CA -1.355 54.829 56.287 -0.172 0.000 0.946 3057 K CB 0.453 32.890 32.500 -0.104 0.000 1.005 3057 K HN 0.301 nan 8.250 nan 0.000 0.469 3058 P HA -0.043 nan 4.420 nan 0.000 0.256 3058 P C -2.335 174.875 177.300 -0.149 0.000 1.173 3058 P CA -0.753 62.240 63.100 -0.177 0.000 0.768 3058 P CB 0.179 31.807 31.700 -0.120 0.000 0.758 3059 P HA -0.003 nan 4.420 nan 0.000 0.262 3059 P C -0.383 176.825 177.300 -0.154 0.000 1.647 3059 P CA 0.496 63.502 63.100 -0.157 0.000 0.865 3059 P CB -0.023 31.580 31.700 -0.161 0.000 1.834 3060 L N -0.770 120.377 121.223 -0.127 0.000 2.431 3060 L HA 0.524 4.865 4.340 0.003 0.000 0.260 3060 L C 1.770 178.575 176.870 -0.110 0.000 1.098 3060 L CA -0.137 54.636 54.840 -0.111 0.000 0.800 3060 L CB -0.081 41.926 42.059 -0.086 0.000 1.210 3060 L HN 0.235 nan 8.230 nan 0.000 0.465 3061 G N 1.124 109.865 108.800 -0.098 0.000 2.634 3061 G HA2 -0.292 3.669 3.960 0.003 0.000 0.309 3061 G HA3 -0.292 3.669 3.960 0.003 0.000 0.309 3061 G C -1.326 173.510 174.900 -0.106 0.000 1.265 3061 G CA 0.323 45.370 45.100 -0.088 0.000 0.998 3061 G HN 0.642 nan 8.290 nan 0.000 0.551 3062 P HA 0.028 nan 4.420 nan 0.000 0.228 3062 P C 1.801 179.046 177.300 -0.091 0.000 1.151 3062 P CA 1.182 64.245 63.100 -0.062 0.000 0.770 3062 P CB -0.098 31.587 31.700 -0.026 0.000 0.786 3063 L N -1.063 120.087 121.223 -0.121 0.000 2.599 3063 L HA 0.111 4.453 4.340 0.003 0.000 0.230 3063 L C 1.704 178.423 176.870 -0.252 0.000 1.141 3063 L CA -0.197 54.553 54.840 -0.151 0.000 0.877 3063 L CB -0.418 41.564 42.059 -0.127 0.000 1.009 3063 L HN -0.064 nan 8.230 nan 0.000 0.447 3064 R N 0.592 120.902 120.500 -0.317 0.000 2.491 3064 R HA 0.027 4.369 4.340 0.003 0.000 0.283 3064 R C -0.227 175.678 176.300 -0.658 0.000 1.072 3064 R CA -0.198 55.548 56.100 -0.590 0.000 1.048 3064 R CB 0.257 30.113 30.300 -0.741 0.000 0.983 3064 R HN 0.054 nan 8.270 nan 0.000 0.450 3065 F N 0.043 119.597 119.950 -0.661 0.000 3.043 3065 F HA -0.262 4.267 4.527 0.003 0.000 0.290 3065 F C 0.067 174.894 175.800 -1.620 0.000 0.844 3065 F CA 1.398 58.636 58.000 -1.270 0.000 1.184 3065 F CB -2.535 36.184 39.000 -0.468 0.000 1.246 3065 F HN 0.663 nan 8.300 nan 0.000 0.536 3066 T N -3.290 110.620 114.554 -1.074 0.000 2.896 3066 T HA 0.787 5.139 4.350 0.003 0.000 0.297 3066 T C -3.011 171.550 174.700 -0.232 0.000 1.108 3066 T CA -2.440 59.307 62.100 -0.588 0.000 1.004 3066 T CB 3.369 72.099 68.868 -0.230 0.000 1.159 3066 T HN -0.242 nan 8.240 nan 0.000 0.499 3067 P HA 0.237 nan 4.420 nan 0.000 0.267 3067 P C -2.338 175.022 177.300 0.099 0.000 1.200 3067 P CA -0.850 62.385 63.100 0.225 0.000 0.772 3067 P CB -0.191 31.641 31.700 0.220 0.000 0.855 3068 P HA 0.072 nan 4.420 nan 0.000 0.268 3068 P C -0.688 176.648 177.300 0.059 0.000 1.205 3068 P CA 0.191 63.326 63.100 0.059 0.000 0.771 3068 P CB 0.740 32.503 31.700 0.106 0.000 0.858 3069 Q N 2.816 122.624 119.800 0.013 0.000 2.297 3069 Q HA 0.473 4.814 4.340 0.003 0.000 0.268 3069 Q C -2.269 173.749 176.000 0.030 0.000 1.045 3069 Q CA -2.075 53.744 55.803 0.026 0.000 0.861 3069 Q CB 1.007 29.745 28.738 0.000 0.000 1.344 3069 Q HN 0.342 nan 8.270 nan 0.000 0.452 3070 P HA -0.004 nan 4.420 nan 0.000 0.267 3070 P C -1.472 175.812 177.300 -0.027 0.000 1.200 3070 P CA 0.141 63.290 63.100 0.081 0.000 0.772 3070 P CB 0.561 32.327 31.700 0.110 0.000 0.855 3071 A N 2.440 125.197 122.820 -0.105 0.000 2.322 3071 A HA 0.234 4.556 4.320 0.003 0.000 0.269 3071 A C 0.215 177.617 177.584 -0.305 0.000 1.094 3071 A CA -0.414 51.505 52.037 -0.197 0.000 0.807 3071 A CB 0.056 18.977 19.000 -0.132 0.000 1.047 3071 A HN 0.437 nan 8.150 nan 0.000 0.487 3072 E N 2.484 122.610 120.200 -0.123 0.000 2.324 3072 E HA 0.231 4.582 4.350 0.003 0.000 0.271 3072 E C -2.149 174.450 176.600 -0.001 0.000 1.028 3072 E CA -1.548 54.814 56.400 -0.064 0.000 0.890 3072 E CB 0.373 30.078 29.700 0.009 0.000 1.004 3072 E HN 0.451 nan 8.360 nan 0.000 0.431 3073 P HA 0.064 nan 4.420 nan 0.000 0.271 3073 P C -0.722 176.598 177.300 0.033 0.000 1.216 3073 P CA -0.292 62.717 63.100 -0.152 0.000 0.776 3073 P CB 0.259 31.886 31.700 -0.122 0.000 0.881 3074 W N 1.225 122.552 121.300 0.045 0.000 2.512 3074 W HA 0.552 5.213 4.660 0.002 0.000 0.335 3074 W C 0.776 177.276 176.519 -0.033 0.000 1.088 3074 W CA -0.704 56.654 57.345 0.022 0.000 1.236 3074 W CB -0.253 29.245 29.460 0.063 0.000 1.307 3074 W HN 0.160 nan 8.180 nan 0.000 0.567 3075 S N 0.877 116.638 115.700 0.101 0.000 2.406 3075 S HA 0.002 4.473 4.470 0.003 0.000 0.228 3075 S C 0.564 174.900 174.600 -0.440 0.000 1.020 3075 S CA 0.862 58.904 58.200 -0.263 0.000 0.965 3075 S CB -0.284 62.641 63.200 -0.459 0.000 0.798 3075 S HN 0.495 nan 8.310 nan 0.000 0.488 3076 F N -0.318 119.772 119.950 0.233 0.000 2.853 3076 F HA 0.473 5.001 4.527 0.002 0.000 0.155 3076 F C -0.077 175.885 175.800 0.270 0.000 1.549 3076 F CA -0.848 57.266 58.000 0.190 0.000 1.037 3076 F CB 0.044 39.117 39.000 0.123 0.000 1.935 3076 F HN -0.300 nan 8.300 nan 0.000 0.257 3077 V N 1.197 121.381 119.914 0.449 0.000 2.409 3077 V HA 0.291 4.412 4.120 0.003 0.000 0.291 3077 V C -0.562 175.644 176.094 0.186 0.000 1.020 3077 V CA -1.027 61.461 62.300 0.313 0.000 0.848 3077 V CB 1.296 33.245 31.823 0.211 0.000 0.990 3077 V HN 0.319 nan 8.190 nan 0.000 0.430 3078 K N 3.961 124.416 120.400 0.091 0.000 2.258 3078 K HA 0.337 4.659 4.320 0.003 0.000 0.284 3078 K C -0.238 176.331 176.600 -0.050 0.000 1.051 3078 K CA -0.486 55.703 56.287 -0.163 0.000 0.923 3078 K CB 0.458 32.526 32.500 -0.720 0.000 1.046 3078 K HN 0.633 nan 8.250 nan 0.000 0.474 3079 N N 2.603 121.269 118.700 -0.056 0.000 2.401 3079 N HA 0.138 4.879 4.740 0.003 0.000 0.255 3079 N C -0.924 174.554 175.510 -0.054 0.000 1.110 3079 N CA -0.119 52.911 53.050 -0.034 0.000 0.949 3079 N CB 1.664 40.122 38.487 -0.049 0.000 1.110 3079 N HN 0.550 nan 8.380 nan 0.000 0.490 3080 A N 1.825 124.647 122.820 0.002 0.000 3.016 3080 A HA 0.322 4.643 4.320 0.003 0.000 0.303 3080 A C 0.675 178.202 177.584 -0.095 0.000 1.507 3080 A CA -0.508 51.526 52.037 -0.005 0.000 1.196 3080 A CB -0.653 18.445 19.000 0.162 0.000 1.169 3080 A HN 0.631 nan 8.150 nan 0.000 0.544 3081 T N -2.979 111.486 114.554 -0.148 0.000 3.209 3081 T HA 0.352 4.703 4.350 0.003 0.000 0.295 3081 T C 0.179 174.728 174.700 -0.253 0.000 0.977 3081 T CA 0.013 61.990 62.100 -0.206 0.000 0.922 3081 T CB -0.009 68.763 68.868 -0.161 0.000 1.152 3081 T HN 0.270 nan 8.240 nan 0.000 0.527 3082 S N 0.827 116.374 115.700 -0.253 0.000 2.538 3082 S HA 0.599 5.070 4.470 0.003 0.000 0.288 3082 S C -1.345 173.096 174.600 -0.265 0.000 1.108 3082 S CA -0.779 57.271 58.200 -0.250 0.000 0.971 3082 S CB 0.932 64.036 63.200 -0.160 0.000 1.041 3082 S HN 0.284 nan 8.310 nan 0.000 0.483 3083 Y N 3.866 124.099 120.300 -0.111 0.000 2.632 3083 Y HA 0.169 4.721 4.550 0.003 0.000 0.329 3083 Y C -1.506 174.284 175.900 -0.183 0.000 1.174 3083 Y CA -1.160 56.871 58.100 -0.115 0.000 1.469 3083 Y CB -0.114 38.296 38.460 -0.083 0.000 1.242 3083 Y HN 0.391 nan 8.280 nan 0.000 0.540 3084 P HA 0.144 nan 4.420 nan 0.000 0.272 3084 P C -2.661 174.533 177.300 -0.177 0.000 1.230 3084 P CA -1.470 61.439 63.100 -0.319 0.000 0.788 3084 P CB 0.636 32.066 31.700 -0.450 0.000 0.949 3085 P HA 0.180 nan 4.420 nan 0.000 0.272 3085 P C -0.086 177.150 177.300 -0.105 0.000 1.240 3085 P CA 0.005 63.022 63.100 -0.138 0.000 0.791 3085 P CB 0.203 31.818 31.700 -0.141 0.000 0.978 3086 M N -0.278 119.253 119.600 -0.116 0.000 2.367 3086 M HA 0.466 4.947 4.480 0.003 0.000 0.339 3086 M C -0.606 175.604 176.300 -0.151 0.000 1.177 3086 M CA -0.615 54.612 55.300 -0.122 0.000 1.068 3086 M CB 0.495 33.008 32.600 -0.145 0.000 1.602 3086 M HN 0.114 nan 8.290 nan 0.000 0.457 3087 c N 1.788 120.295 118.600 -0.154 0.000 2.692 3087 c HA 0.097 4.669 4.570 0.003 0.000 0.409 3087 c C 0.980 174.879 174.090 -0.318 0.000 1.284 3087 c CA -0.152 56.039 56.329 -0.231 0.000 1.909 3087 c CB -0.433 41.963 42.510 -0.189 0.000 2.713 3087 c HN 0.864 nan 8.230 nan 0.000 0.649 3088 T N 4.118 118.334 114.554 -0.563 0.000 2.905 3088 T HA 0.321 4.672 4.350 0.003 0.000 0.299 3088 T C -0.004 174.438 174.700 -0.431 0.000 1.024 3088 T CA 0.390 62.088 62.100 -0.671 0.000 1.151 3088 T CB -0.108 67.948 68.868 -1.353 0.000 0.987 3088 T HN 0.877 nan 8.240 nan 0.000 0.535 3089 Q N 0.920 120.611 119.800 -0.183 0.000 2.804 3089 Q HA 0.321 4.663 4.340 0.003 0.000 0.302 3089 Q C -1.679 174.338 176.000 0.028 0.000 0.885 3089 Q CA -1.171 54.630 55.803 -0.004 0.000 0.759 3089 Q CB 0.829 29.554 28.738 -0.021 0.000 1.465 3089 Q HN 0.373 nan 8.270 nan 0.000 0.432 3090 D N 2.282 122.728 120.400 0.076 0.000 2.368 3090 D HA 0.048 4.689 4.640 0.003 0.000 0.268 3090 D C -1.226 175.082 176.300 0.014 0.000 1.298 3090 D CA -1.489 52.551 54.000 0.066 0.000 0.938 3090 D CB 1.029 41.882 40.800 0.088 0.000 1.101 3090 D HN 0.310 nan 8.370 nan 0.000 0.509 3091 P HA -0.213 nan 4.420 nan 0.000 0.216 3091 P C 1.015 178.298 177.300 -0.028 0.000 1.153 3091 P CA 1.315 64.399 63.100 -0.026 0.000 0.858 3091 P CB 0.465 32.150 31.700 -0.025 0.000 0.789 3092 K N 0.091 120.482 120.400 -0.015 0.000 1.973 3092 K HA -0.058 4.264 4.320 0.003 0.000 0.210 3092 K C 2.505 179.088 176.600 -0.029 0.000 1.045 3092 K CA 1.427 57.702 56.287 -0.019 0.000 0.937 3092 K CB -0.935 31.559 32.500 -0.009 0.000 0.721 3092 K HN -0.013 nan 8.250 nan 0.000 0.438 3093 A N 1.595 124.404 122.820 -0.018 0.000 1.896 3093 A HA -0.222 4.100 4.320 0.003 0.000 0.220 3093 A C 2.447 179.998 177.584 -0.056 0.000 1.206 3093 A CA 2.451 54.471 52.037 -0.029 0.000 0.647 3093 A CB -1.641 17.360 19.000 0.002 0.000 0.828 3093 A HN 0.502 nan 8.150 nan 0.000 0.455 3094 G N -1.340 107.429 108.800 -0.051 0.000 2.480 3094 G HA2 -0.323 3.639 3.960 0.003 0.000 0.216 3094 G HA3 -0.323 3.639 3.960 0.003 0.000 0.216 3094 G C 1.640 176.479 174.900 -0.101 0.000 1.200 3094 G CA 1.163 46.215 45.100 -0.079 0.000 0.782 3094 G HN 0.650 nan 8.290 nan 0.000 0.554 3095 Q N -0.396 119.352 119.800 -0.086 0.000 2.135 3095 Q HA -0.143 4.199 4.340 0.003 0.000 0.204 3095 Q C 2.491 178.437 176.000 -0.089 0.000 0.981 3095 Q CA 1.515 57.264 55.803 -0.089 0.000 0.856 3095 Q CB -0.225 28.472 28.738 -0.068 0.000 0.902 3095 Q HN 0.417 nan 8.270 nan 0.000 0.425 3096 L N 0.695 121.871 121.223 -0.080 0.000 1.994 3096 L HA -0.176 4.165 4.340 0.003 0.000 0.208 3096 L C 2.252 179.049 176.870 -0.123 0.000 1.071 3096 L CA 1.740 56.533 54.840 -0.078 0.000 0.745 3096 L CB -0.972 41.046 42.059 -0.068 0.000 0.892 3096 L HN 0.388 nan 8.230 nan 0.000 0.431 3097 L N -0.864 120.253 121.223 -0.177 0.000 2.046 3097 L HA -0.180 4.162 4.340 0.003 0.000 0.208 3097 L C 2.698 179.399 176.870 -0.282 0.000 1.077 3097 L CA 2.074 56.726 54.840 -0.313 0.000 0.747 3097 L CB -0.904 40.956 42.059 -0.332 0.000 0.896 3097 L HN 0.483 nan 8.230 nan 0.000 0.432 3098 S N -0.786 114.794 115.700 -0.199 0.000 2.387 3098 S HA -0.249 4.223 4.470 0.003 0.000 0.230 3098 S C 1.830 176.339 174.600 -0.151 0.000 1.035 3098 S CA 1.816 59.898 58.200 -0.197 0.000 1.014 3098 S CB -0.328 62.758 63.200 -0.190 0.000 0.836 3098 S HN 0.692 nan 8.310 nan 0.000 0.466 3099 E N 0.334 120.475 120.200 -0.098 0.000 2.046 3099 E HA -0.027 4.325 4.350 0.003 0.000 0.190 3099 E C 2.078 178.709 176.600 0.053 0.000 0.982 3099 E CA 1.117 57.498 56.400 -0.031 0.000 0.800 3099 E CB -0.285 29.407 29.700 -0.013 0.000 0.756 3099 E HN 0.450 nan 8.360 nan 0.000 0.449 3100 L N 0.032 121.289 121.223 0.056 0.000 2.362 3100 L HA -0.118 4.223 4.340 0.003 0.000 0.219 3100 L C 1.618 178.779 176.870 0.484 0.000 1.134 3100 L CA 0.652 55.621 54.840 0.215 0.000 0.807 3100 L CB 0.019 42.144 42.059 0.110 0.000 0.927 3100 L HN 0.105 nan 8.230 nan 0.000 0.447 3101 F N -1.832 118.110 119.950 -0.013 0.000 2.680 3101 F HA 0.170 4.698 4.527 0.002 0.000 0.290 3101 F C 1.613 177.142 175.800 -0.450 0.000 1.114 3101 F CA -0.558 57.322 58.000 -0.200 0.000 1.333 3101 F CB -0.622 38.272 39.000 -0.177 0.000 1.091 3101 F HN -0.248 nan 8.300 nan 0.000 0.606 3102 T N 2.627 117.069 114.554 -0.187 0.000 2.923 3102 T HA -0.105 4.246 4.350 0.003 0.000 0.304 3102 T C 1.306 175.839 174.700 -0.279 0.000 1.044 3102 T CA 0.436 62.332 62.100 -0.339 0.000 1.141 3102 T CB 0.176 68.906 68.868 -0.231 0.000 1.023 3102 T HN 0.399 nan 8.240 nan 0.000 0.533 3103 N N 4.393 122.871 118.700 -0.371 0.000 2.280 3103 N HA 0.001 4.743 4.740 0.003 0.000 0.192 3103 N C 0.456 175.858 175.510 -0.179 0.000 1.109 3103 N CA -0.274 52.607 53.050 -0.282 0.000 0.855 3103 N CB 0.058 38.371 38.487 -0.290 0.000 0.974 3103 N HN 0.739 nan 8.380 nan 0.000 0.482 3104 R N 0.534 120.940 120.500 -0.156 0.000 2.549 3104 R HA 0.345 4.687 4.340 0.003 0.000 0.267 3104 R C 1.007 177.274 176.300 -0.055 0.000 1.045 3104 R CA -0.724 55.323 56.100 -0.089 0.000 1.115 3104 R CB 0.700 30.952 30.300 -0.081 0.000 1.121 3104 R HN -0.147 nan 8.270 nan 0.000 0.543 3105 K N 0.335 120.724 120.400 -0.018 0.000 2.026 3105 K HA -0.179 4.142 4.320 0.003 0.000 0.208 3105 K C -0.017 176.586 176.600 0.004 0.000 1.048 3105 K CA 1.584 57.876 56.287 0.009 0.000 0.929 3105 K CB -0.309 32.208 32.500 0.028 0.000 0.713 3105 K HN 0.791 nan 8.250 nan 0.000 0.439 3106 E N 0.964 121.160 120.200 -0.007 0.000 2.133 3106 E HA 0.144 4.496 4.350 0.003 0.000 0.274 3106 E C -1.080 175.492 176.600 -0.048 0.000 0.930 3106 E CA -0.827 55.564 56.400 -0.015 0.000 0.770 3106 E CB 1.019 30.716 29.700 -0.004 0.000 1.104 3106 E HN 0.283 nan 8.360 nan 0.000 0.403 3107 N N 4.391 123.058 118.700 -0.056 0.000 2.483 3107 N HA 0.023 4.765 4.740 0.003 0.000 0.264 3107 N C -0.381 175.062 175.510 -0.112 0.000 1.197 3107 N CA -0.516 52.475 53.050 -0.098 0.000 0.927 3107 N CB 0.500 38.936 38.487 -0.084 0.000 1.065 3107 N HN 0.493 nan 8.380 nan 0.000 0.461 3108 I N 5.648 126.112 120.570 -0.177 0.000 2.352 3108 I HA 0.215 4.387 4.170 0.003 0.000 0.290 3108 I C -1.768 174.245 176.117 -0.174 0.000 1.036 3108 I CA -2.185 59.001 61.300 -0.191 0.000 1.336 3108 I CB 0.612 38.390 38.000 -0.370 0.000 1.407 3108 I HN 0.463 nan 8.210 nan 0.000 0.497 3109 P HA 0.330 nan 4.420 nan 0.000 0.276 3109 P C -0.739 176.502 177.300 -0.098 0.000 1.235 3109 P CA -0.204 62.840 63.100 -0.095 0.000 0.772 3109 P CB 1.437 33.100 31.700 -0.062 0.000 0.871 3110 L N 1.930 123.089 121.223 -0.106 0.000 2.299 3110 L HA 0.589 4.931 4.340 0.003 0.000 0.268 3110 L C 0.603 177.422 176.870 -0.086 0.000 1.012 3110 L CA -1.204 53.576 54.840 -0.101 0.000 0.816 3110 L CB 1.049 43.031 42.059 -0.127 0.000 1.355 3110 L HN 0.222 nan 8.230 nan 0.000 0.457 3111 K N 0.301 120.648 120.400 -0.088 0.000 2.221 3111 K HA 0.665 4.987 4.320 0.003 0.000 0.243 3111 K C -1.211 175.325 176.600 -0.106 0.000 0.968 3111 K CA -0.377 55.858 56.287 -0.088 0.000 0.846 3111 K CB 1.457 33.907 32.500 -0.084 0.000 1.141 3111 K HN 0.344 nan 8.250 nan 0.000 0.434 3112 L N 1.025 122.183 121.223 -0.110 0.000 2.325 3112 L HA 0.646 4.987 4.340 0.003 0.000 0.278 3112 L C -0.385 176.392 176.870 -0.154 0.000 1.023 3112 L CA -0.586 54.169 54.840 -0.141 0.000 0.811 3112 L CB 1.864 43.840 42.059 -0.140 0.000 1.249 3112 L HN 0.626 nan 8.230 nan 0.000 0.431 3113 S N 0.508 116.088 115.700 -0.200 0.000 2.586 3113 S HA 0.161 4.632 4.470 0.003 0.000 0.277 3113 S C -0.037 174.404 174.600 -0.265 0.000 1.131 3113 S CA -0.590 57.492 58.200 -0.198 0.000 0.848 3113 S CB 1.428 64.550 63.200 -0.129 0.000 1.091 3113 S HN 0.756 nan 8.310 nan 0.000 0.453 3114 E N 0.758 120.797 120.200 -0.269 0.000 2.358 3114 E HA -0.025 4.326 4.350 0.003 0.000 0.195 3114 E C -0.356 176.133 176.600 -0.185 0.000 1.010 3114 E CA 0.409 56.623 56.400 -0.310 0.000 0.856 3114 E CB 0.104 29.657 29.700 -0.245 0.000 0.795 3114 E HN 0.491 nan 8.360 nan 0.000 0.504 3115 D N 0.402 120.735 120.400 -0.113 0.000 2.483 3115 D HA 0.011 4.652 4.640 0.003 0.000 0.220 3115 D C -0.015 176.350 176.300 0.109 0.000 1.173 3115 D CA -0.362 53.624 54.000 -0.023 0.000 0.964 3115 D CB -0.015 40.795 40.800 0.016 0.000 1.046 3115 D HN 0.144 nan 8.370 nan 0.000 0.517 3116 c N 2.239 120.871 118.600 0.054 0.000 3.772 3116 c HA 0.358 4.929 4.570 0.003 0.000 0.293 3116 c C 0.790 174.949 174.090 0.116 0.000 1.659 3116 c CA -0.683 55.748 56.329 0.170 0.000 1.810 3116 c CB -1.325 41.186 42.510 0.001 0.000 3.059 3116 c HN 0.440 nan 8.230 nan 0.000 0.617 3117 L N 2.355 123.417 121.223 -0.267 0.000 2.376 3117 L HA 0.331 4.673 4.340 0.003 0.000 0.250 3117 L C -0.739 175.587 176.870 -0.906 0.000 1.335 3117 L CA 0.647 55.109 54.840 -0.630 0.000 1.214 3117 L CB -0.931 40.572 42.059 -0.926 0.000 1.395 3117 L HN 0.394 nan 8.230 nan 0.000 0.424 3118 Y N 1.451 121.698 120.300 -0.088 0.000 2.602 3118 Y HA 0.700 5.251 4.550 0.002 0.000 0.342 3118 Y C -0.067 175.984 175.900 0.252 0.000 1.029 3118 Y CA -1.307 56.819 58.100 0.043 0.000 1.080 3118 Y CB 1.901 40.348 38.460 -0.022 0.000 1.284 3118 Y HN 0.131 nan 8.280 nan 0.000 0.485 3119 L N -0.198 121.199 121.223 0.289 0.000 2.393 3119 L HA 0.730 5.071 4.340 0.003 0.000 0.260 3119 L C -1.423 175.508 176.870 0.101 0.000 1.002 3119 L CA -1.210 53.725 54.840 0.159 0.000 0.818 3119 L CB 1.746 43.785 42.059 -0.032 0.000 1.369 3119 L HN 0.389 nan 8.230 nan 0.000 0.412 3120 N N 2.092 120.885 118.700 0.156 0.000 2.372 3120 N HA 0.659 5.400 4.740 0.003 0.000 0.291 3120 N C -1.088 174.506 175.510 0.139 0.000 1.024 3120 N CA -0.180 52.952 53.050 0.136 0.000 0.873 3120 N CB 2.383 41.023 38.487 0.254 0.000 1.206 3120 N HN 0.678 nan 8.380 nan 0.000 0.486 3121 I N 2.025 122.604 120.570 0.015 0.000 2.412 3121 I HA 0.323 4.494 4.170 0.003 0.000 0.296 3121 I C -0.914 175.210 176.117 0.011 0.000 0.987 3121 I CA -0.753 60.584 61.300 0.061 0.000 1.180 3121 I CB 1.034 38.943 38.000 -0.152 0.000 1.340 3121 I HN 0.334 nan 8.210 nan 0.000 0.455 3122 Y N 3.175 123.603 120.300 0.214 0.000 2.349 3122 Y HA 0.323 4.874 4.550 0.003 0.000 0.324 3122 Y C 0.170 176.204 175.900 0.223 0.000 1.005 3122 Y CA -0.613 57.616 58.100 0.215 0.000 1.240 3122 Y CB 2.051 40.614 38.460 0.173 0.000 1.117 3122 Y HN 0.353 nan 8.280 nan 0.000 0.463 3123 T N 5.266 120.050 114.554 0.384 0.000 2.809 3123 T HA 0.343 4.694 4.350 0.003 0.000 0.284 3123 T C -2.199 172.675 174.700 0.291 0.000 0.992 3123 T CA -2.306 59.997 62.100 0.339 0.000 0.957 3123 T CB 1.276 70.387 68.868 0.404 0.000 0.942 3123 T HN 0.348 nan 8.240 nan 0.000 0.439 3124 P HA 0.277 nan 4.420 nan 0.000 0.255 3124 P C 0.296 177.705 177.300 0.181 0.000 1.248 3124 P CA -0.156 63.055 63.100 0.185 0.000 0.807 3124 P CB 0.080 31.861 31.700 0.135 0.000 1.150 3125 A N 0.710 123.650 122.820 0.199 0.000 2.313 3125 A HA 0.222 4.543 4.320 0.003 0.000 0.261 3125 A C -0.029 177.665 177.584 0.183 0.000 1.090 3125 A CA -0.149 51.991 52.037 0.171 0.000 0.807 3125 A CB -0.242 18.858 19.000 0.166 0.000 1.055 3125 A HN -0.063 nan 8.150 nan 0.000 0.492 3126 D N 1.146 121.630 120.400 0.140 0.000 2.479 3126 D HA 0.333 4.975 4.640 0.003 0.000 0.218 3126 D C 1.083 177.462 176.300 0.131 0.000 1.131 3126 D CA -0.123 53.956 54.000 0.132 0.000 0.916 3126 D CB -0.249 40.601 40.800 0.084 0.000 1.022 3126 D HN 0.413 nan 8.370 nan 0.000 0.515 3127 L N 2.009 123.336 121.223 0.173 0.000 2.283 3127 L HA -0.219 4.123 4.340 0.003 0.000 0.217 3127 L C 2.087 179.009 176.870 0.087 0.000 1.104 3127 L CA 1.582 56.500 54.840 0.129 0.000 0.772 3127 L CB -0.916 41.235 42.059 0.154 0.000 0.899 3127 L HN 0.485 nan 8.230 nan 0.000 0.439 3128 T N -3.681 110.930 114.554 0.094 0.000 3.284 3128 T HA 0.085 4.436 4.350 0.003 0.000 0.252 3128 T C 0.600 175.328 174.700 0.047 0.000 1.144 3128 T CA 0.075 62.214 62.100 0.065 0.000 1.021 3128 T CB -0.031 68.876 68.868 0.066 0.000 0.984 3128 T HN 0.119 nan 8.240 nan 0.000 0.545 3129 K N 0.557 120.986 120.400 0.048 0.000 2.283 3129 K HA 0.416 4.737 4.320 0.003 0.000 0.257 3129 K C -0.777 175.843 176.600 0.033 0.000 1.066 3129 K CA -0.933 55.376 56.287 0.037 0.000 0.891 3129 K CB 1.324 33.849 32.500 0.041 0.000 1.438 3129 K HN -0.071 nan 8.250 nan 0.000 0.464 3130 K N 2.194 122.610 120.400 0.026 0.000 2.559 3130 K HA 0.193 4.514 4.320 0.003 0.000 0.236 3130 K C -0.996 175.622 176.600 0.030 0.000 1.185 3130 K CA 0.001 56.301 56.287 0.021 0.000 1.157 3130 K CB -0.525 31.981 32.500 0.011 0.000 1.782 3130 K HN 0.457 nan 8.250 nan 0.000 0.419 3131 N N 1.012 119.739 118.700 0.045 0.000 2.530 3131 N HA 0.142 4.883 4.740 0.003 0.000 0.277 3131 N C -0.355 175.187 175.510 0.054 0.000 1.168 3131 N CA -0.209 52.874 53.050 0.054 0.000 0.979 3131 N CB 0.811 39.344 38.487 0.077 0.000 1.141 3131 N HN 0.185 nan 8.380 nan 0.000 0.459 3132 R N 1.982 122.511 120.500 0.047 0.000 2.701 3132 R HA 0.306 4.647 4.340 0.003 0.000 0.281 3132 R C -1.060 175.267 176.300 0.044 0.000 1.367 3132 R CA -0.292 55.833 56.100 0.042 0.000 1.510 3132 R CB 0.043 30.355 30.300 0.020 0.000 1.306 3132 R HN 0.475 nan 8.270 nan 0.000 0.682 3133 L N 2.003 123.265 121.223 0.064 0.000 2.452 3133 L HA 0.366 4.707 4.340 0.003 0.000 0.267 3133 L C -1.614 175.293 176.870 0.062 0.000 1.188 3133 L CA -1.778 53.100 54.840 0.064 0.000 0.821 3133 L CB 0.206 42.317 42.059 0.087 0.000 1.102 3133 L HN 0.123 nan 8.230 nan 0.000 0.470 3134 P HA 0.073 nan 4.420 nan 0.000 0.269 3134 P C -0.900 176.444 177.300 0.073 0.000 1.215 3134 P CA -0.151 62.975 63.100 0.044 0.000 0.780 3134 P CB 1.077 32.788 31.700 0.018 0.000 0.898 3135 V N 3.904 123.872 119.914 0.090 0.000 2.513 3135 V HA 0.425 4.546 4.120 0.003 0.000 0.299 3135 V C 0.483 176.657 176.094 0.133 0.000 1.035 3135 V CA -0.437 61.939 62.300 0.126 0.000 0.889 3135 V CB 1.370 33.279 31.823 0.143 0.000 0.988 3135 V HN 0.491 nan 8.190 nan 0.000 0.440 3136 M N 4.558 124.263 119.600 0.175 0.000 2.093 3136 M HA 0.475 4.957 4.480 0.003 0.000 0.297 3136 M C -1.183 175.432 176.300 0.524 0.000 0.938 3136 M CA -0.538 54.904 55.300 0.237 0.000 0.920 3136 M CB 1.993 34.585 32.600 -0.014 0.000 1.517 3136 M HN 0.373 nan 8.290 nan 0.000 0.427 3137 V N 3.247 123.466 119.914 0.509 0.000 2.383 3137 V HA 0.296 4.418 4.120 0.003 0.000 0.275 3137 V C -0.625 175.689 176.094 0.366 0.000 1.036 3137 V CA -0.514 62.020 62.300 0.390 0.000 0.889 3137 V CB 1.041 32.977 31.823 0.189 0.000 0.985 3137 V HN 0.845 nan 8.190 nan 0.000 0.459 3138 W N 6.955 128.230 121.300 -0.041 0.000 2.361 3138 W HA 0.585 5.246 4.660 0.003 0.000 0.309 3138 W C -1.175 175.181 176.519 -0.273 0.000 1.122 3138 W CA -0.946 56.099 57.345 -0.499 0.000 1.208 3138 W CB 1.328 30.483 29.460 -0.508 0.000 1.246 3138 W HN 0.450 nan 8.180 nan 0.000 0.490 3139 I N 7.489 127.393 120.570 -1.109 0.000 2.337 3139 I HA 0.017 4.189 4.170 0.003 0.000 0.285 3139 I C 0.491 175.897 176.117 -1.185 0.000 1.041 3139 I CA -0.821 59.966 61.300 -0.856 0.000 1.199 3139 I CB 0.421 38.035 38.000 -0.644 0.000 1.370 3139 I HN 0.453 nan 8.210 nan 0.000 0.470 3140 H N 4.038 122.708 119.070 -0.666 0.000 2.929 3140 H HA 0.393 4.951 4.556 0.002 0.000 0.358 3140 H C 0.535 175.846 175.328 -0.029 0.000 1.111 3140 H CA -0.167 55.717 56.048 -0.273 0.000 1.409 3140 H CB 0.466 30.380 29.762 0.254 0.000 1.373 3140 H HN 0.551 nan 8.280 nan 0.000 0.610 3141 G N -0.709 108.236 108.800 0.241 0.000 2.583 3141 G HA2 0.483 4.445 3.960 0.003 0.000 0.280 3141 G HA3 0.483 4.445 3.960 0.003 0.000 0.280 3141 G C 0.438 175.583 174.900 0.408 0.000 1.376 3141 G CA -0.996 44.252 45.100 0.246 0.000 1.043 3141 G HN 1.500 nan 8.290 nan 0.000 0.538 3142 G N -2.950 106.026 108.800 0.294 0.000 2.332 3142 G HA2 0.406 4.367 3.960 0.003 0.000 0.216 3142 G HA3 0.406 4.367 3.960 0.003 0.000 0.216 3142 G C 1.061 176.040 174.900 0.131 0.000 1.041 3142 G CA 0.735 45.965 45.100 0.216 0.000 0.836 3142 G HN 2.296 nan 8.290 nan 0.000 0.530 3143 G N 0.142 109.009 108.800 0.112 0.000 2.212 3143 G HA2 -0.194 3.768 3.960 0.003 0.000 0.267 3143 G HA3 -0.194 3.768 3.960 0.003 0.000 0.267 3143 G C 1.123 175.997 174.900 -0.043 0.000 1.002 3143 G CA 0.804 45.921 45.100 0.028 0.000 0.729 3143 G HN 1.791 nan 8.290 nan 0.000 0.517 3144 L N -3.478 117.751 121.223 0.010 0.000 4.291 3144 L HA -0.259 4.082 4.340 0.003 0.000 0.413 3144 L C 1.893 178.777 176.870 0.023 0.000 1.162 3144 L CA 1.463 56.288 54.840 -0.024 0.000 0.961 3144 L CB -1.536 40.241 42.059 -0.469 0.000 2.095 3144 L HN 0.426 nan 8.230 nan 0.000 0.838 3145 M N -1.366 118.259 119.600 0.042 0.000 2.669 3145 M HA 0.353 4.834 4.480 0.003 0.000 0.248 3145 M C 0.722 177.067 176.300 0.074 0.000 1.382 3145 M CA 1.194 56.520 55.300 0.043 0.000 1.158 3145 M CB 0.770 33.365 32.600 -0.008 0.000 1.371 3145 M HN 0.214 nan 8.290 nan 0.000 0.540 3146 V N -2.626 117.331 119.914 0.073 0.000 3.206 3146 V HA 1.042 5.163 4.120 0.003 0.000 0.305 3146 V C -0.431 175.709 176.094 0.076 0.000 1.257 3146 V CA -0.150 62.176 62.300 0.043 0.000 1.057 3146 V CB 1.425 33.257 31.823 0.015 0.000 1.075 3146 V HN 0.535 nan 8.190 nan 0.000 0.443 3147 G N -0.537 108.242 108.800 -0.034 0.000 2.353 3147 G HA2 0.692 4.653 3.960 0.003 0.000 0.424 3147 G HA3 0.692 4.653 3.960 0.003 0.000 0.424 3147 G C -0.695 173.884 174.900 -0.535 0.000 1.320 3147 G CA -0.111 44.886 45.100 -0.172 0.000 0.995 3147 G HN 2.756 nan 8.290 nan 0.000 0.580 3148 A N -1.766 120.500 122.820 -0.924 0.000 2.597 3148 A HA 0.999 5.320 4.320 0.003 0.000 0.292 3148 A C 0.560 177.971 177.584 -0.289 0.000 1.057 3148 A CA 0.734 52.427 52.037 -0.573 0.000 0.674 3148 A CB 0.713 19.550 19.000 -0.271 0.000 1.278 3148 A HN 2.528 nan 8.150 nan 0.000 0.416 3149 A N 0.073 122.910 122.820 0.028 0.000 2.030 3149 A HA 0.254 4.575 4.320 0.003 0.000 0.215 3149 A C 1.847 179.572 177.584 0.235 0.000 1.164 3149 A CA 1.965 54.179 52.037 0.294 0.000 0.697 3149 A CB -0.533 18.665 19.000 0.331 0.000 0.827 3149 A HN 1.133 nan 8.150 nan 0.000 0.457 3150 S N -0.189 115.557 115.700 0.076 0.000 2.474 3150 S HA -0.102 4.370 4.470 0.003 0.000 0.235 3150 S C 1.833 176.302 174.600 -0.219 0.000 0.997 3150 S CA 1.458 59.635 58.200 -0.038 0.000 0.949 3150 S CB -0.384 62.692 63.200 -0.206 0.000 0.766 3150 S HN 0.652 nan 8.310 nan 0.000 0.517 3151 T N 0.962 115.362 114.554 -0.256 0.000 2.788 3151 T HA -0.052 4.300 4.350 0.003 0.000 0.268 3151 T C -0.097 174.175 174.700 -0.714 0.000 1.044 3151 T CA 1.059 62.846 62.100 -0.520 0.000 1.139 3151 T CB -0.216 68.246 68.868 -0.676 0.000 0.867 3151 T HN 0.396 nan 8.240 nan 0.000 0.454 3152 Y N 1.676 121.792 120.300 -0.308 0.000 2.341 3152 Y HA 0.437 4.989 4.550 0.002 0.000 0.340 3152 Y C 0.097 175.783 175.900 -0.355 0.000 0.997 3152 Y CA -2.002 55.751 58.100 -0.578 0.000 1.149 3152 Y CB 0.451 38.264 38.460 -1.077 0.000 1.171 3152 Y HN -0.098 nan 8.280 nan 0.000 0.494 3153 D N 2.239 122.500 120.400 -0.232 0.000 2.313 3153 D HA 0.199 4.840 4.640 0.003 0.000 0.239 3153 D C 0.991 177.098 176.300 -0.322 0.000 1.142 3153 D CA -0.159 53.722 54.000 -0.198 0.000 0.847 3153 D CB 1.668 42.416 40.800 -0.085 0.000 1.082 3153 D HN 0.841 nan 8.370 nan 0.000 0.480 3154 G N 3.270 111.472 108.800 -0.996 0.000 2.712 3154 G HA2 -0.148 3.814 3.960 0.003 0.000 0.212 3154 G HA3 -0.148 3.814 3.960 0.003 0.000 0.212 3154 G C 1.399 176.029 174.900 -0.450 0.000 1.142 3154 G CA 0.046 44.695 45.100 -0.751 0.000 0.789 3154 G HN 0.498 nan 8.290 nan 0.000 0.535 3155 L N 1.804 122.821 121.223 -0.343 0.000 1.997 3155 L HA -0.204 4.138 4.340 0.003 0.000 0.227 3155 L C 2.993 179.796 176.870 -0.112 0.000 1.087 3155 L CA 2.651 57.472 54.840 -0.032 0.000 0.797 3155 L CB -0.940 41.148 42.059 0.049 0.000 0.902 3155 L HN 0.246 nan 8.230 nan 0.000 0.441 3156 A N -0.861 121.865 122.820 -0.157 0.000 1.842 3156 A HA -0.266 4.056 4.320 0.003 0.000 0.217 3156 A C 2.264 179.661 177.584 -0.312 0.000 1.206 3156 A CA 2.263 54.131 52.037 -0.281 0.000 0.630 3156 A CB -1.403 17.430 19.000 -0.280 0.000 0.839 3156 A HN 0.564 nan 8.150 nan 0.000 0.447 3157 L N -0.195 120.864 121.223 -0.274 0.000 2.051 3157 L HA -0.185 4.157 4.340 0.003 0.000 0.214 3157 L C 2.647 179.446 176.870 -0.120 0.000 1.076 3157 L CA 2.507 57.207 54.840 -0.234 0.000 0.758 3157 L CB -0.919 40.964 42.059 -0.293 0.000 0.890 3157 L HN 0.423 nan 8.230 nan 0.000 0.433 3158 A N -0.598 122.174 122.820 -0.080 0.000 1.865 3158 A HA -0.132 4.190 4.320 0.003 0.000 0.217 3158 A C 2.452 180.032 177.584 -0.007 0.000 1.191 3158 A CA 2.264 54.308 52.037 0.011 0.000 0.623 3158 A CB -1.268 17.790 19.000 0.097 0.000 0.826 3158 A HN 0.614 nan 8.150 nan 0.000 0.444 3159 A N -1.238 121.519 122.820 -0.105 0.000 1.872 3159 A HA -0.082 4.239 4.320 0.003 0.000 0.214 3159 A C 2.019 179.544 177.584 -0.098 0.000 1.187 3159 A CA 1.849 53.744 52.037 -0.237 0.000 0.614 3159 A CB -0.897 17.673 19.000 -0.717 0.000 0.826 3159 A HN 0.611 nan 8.150 nan 0.000 0.442 3160 H N -0.184 118.720 119.070 -0.278 0.000 2.353 3160 H HA -0.011 4.547 4.556 0.003 0.000 0.300 3160 H C 1.182 176.513 175.328 0.004 0.000 1.090 3160 H CA 1.706 57.717 56.048 -0.062 0.000 1.327 3160 H CB 0.200 29.819 29.762 -0.239 0.000 1.383 3160 H HN 0.381 nan 8.280 nan 0.000 0.508 3161 E N -0.028 120.224 120.200 0.086 0.000 2.501 3161 E HA 0.055 4.407 4.350 0.003 0.000 0.201 3161 E C -0.258 176.375 176.600 0.055 0.000 1.016 3161 E CA -0.218 56.215 56.400 0.055 0.000 0.920 3161 E CB -0.077 29.637 29.700 0.024 0.000 1.023 3161 E HN 0.293 nan 8.360 nan 0.000 0.474 3162 N N 0.692 119.434 118.700 0.071 0.000 2.667 3162 N HA -0.175 4.566 4.740 0.003 0.000 0.263 3162 N C -1.026 174.526 175.510 0.070 0.000 1.038 3162 N CA 0.793 53.890 53.050 0.078 0.000 0.749 3162 N CB -1.014 37.520 38.487 0.079 0.000 0.892 3162 N HN 0.082 nan 8.380 nan 0.000 0.546 3163 V N -2.506 117.450 119.914 0.071 0.000 3.007 3163 V HA 0.754 4.875 4.120 0.003 0.000 0.311 3163 V C 0.271 176.433 176.094 0.113 0.000 1.120 3163 V CA -1.110 61.235 62.300 0.076 0.000 0.980 3163 V CB 2.270 34.119 31.823 0.043 0.000 1.033 3163 V HN -0.071 nan 8.190 nan 0.000 0.429 3164 V N 3.541 123.538 119.914 0.138 0.000 2.432 3164 V HA 0.386 4.508 4.120 0.003 0.000 0.271 3164 V C 0.195 176.413 176.094 0.206 0.000 1.046 3164 V CA -0.166 62.246 62.300 0.187 0.000 0.945 3164 V CB 1.219 33.156 31.823 0.190 0.000 0.992 3164 V HN 0.739 nan 8.190 nan 0.000 0.471 3165 V N 6.316 126.384 119.914 0.257 0.000 2.427 3165 V HA 0.487 4.609 4.120 0.003 0.000 0.286 3165 V C -0.105 176.218 176.094 0.383 0.000 1.034 3165 V CA -0.456 62.026 62.300 0.303 0.000 0.893 3165 V CB 1.829 33.791 31.823 0.232 0.000 0.982 3165 V HN 0.601 nan 8.190 nan 0.000 0.452 3166 V N 3.718 123.854 119.914 0.369 0.000 2.531 3166 V HA 0.525 4.646 4.120 0.003 0.000 0.301 3166 V C 0.108 176.412 176.094 0.350 0.000 1.034 3166 V CA -0.555 61.941 62.300 0.326 0.000 0.865 3166 V CB 2.201 34.159 31.823 0.225 0.000 0.995 3166 V HN 0.983 nan 8.190 nan 0.000 0.424 3167 T N 3.183 117.954 114.554 0.363 0.000 2.788 3167 T HA 0.725 5.077 4.350 0.003 0.000 0.296 3167 T C -0.326 174.546 174.700 0.287 0.000 1.009 3167 T CA -0.452 61.870 62.100 0.370 0.000 0.949 3167 T CB 0.753 69.878 68.868 0.428 0.000 0.946 3167 T HN 0.653 nan 8.240 nan 0.000 0.453 3168 I N 0.642 121.347 120.570 0.225 0.000 2.797 3168 I HA 0.616 4.788 4.170 0.003 0.000 0.310 3168 I C -0.364 175.959 176.117 0.342 0.000 0.990 3168 I CA -1.038 60.377 61.300 0.191 0.000 1.228 3168 I CB 1.299 39.307 38.000 0.014 0.000 1.406 3168 I HN 0.527 nan 8.210 nan 0.000 0.534 3169 Q N 2.456 122.501 119.800 0.407 0.000 2.399 3169 Q HA 0.551 4.893 4.340 0.003 0.000 0.276 3169 Q C -1.843 174.448 176.000 0.484 0.000 1.098 3169 Q CA -0.794 55.261 55.803 0.420 0.000 0.827 3169 Q CB 2.805 31.721 28.738 0.297 0.000 1.386 3169 Q HN 0.747 nan 8.270 nan 0.000 0.443 3170 Y N -2.581 117.871 120.300 0.252 0.000 2.597 3170 Y HA 0.540 5.091 4.550 0.002 0.000 0.340 3170 Y C -0.863 175.129 175.900 0.153 0.000 1.097 3170 Y CA -1.445 56.770 58.100 0.191 0.000 1.037 3170 Y CB 0.801 39.333 38.460 0.119 0.000 1.305 3170 Y HN 0.415 nan 8.280 nan 0.000 0.463 3171 R N 1.960 122.547 120.500 0.145 0.000 2.640 3171 R HA 0.405 4.747 4.340 0.003 0.000 0.270 3171 R C -0.821 175.568 176.300 0.148 0.000 1.024 3171 R CA 0.110 56.261 56.100 0.085 0.000 1.085 3171 R CB 0.249 30.620 30.300 0.118 0.000 0.963 3171 R HN 0.696 nan 8.270 nan 0.000 0.426 3172 L N 1.046 122.371 121.223 0.170 0.000 2.271 3172 L HA 0.515 4.856 4.340 0.003 0.000 0.265 3172 L C 1.283 178.434 176.870 0.467 0.000 1.013 3172 L CA -0.580 54.440 54.840 0.301 0.000 0.820 3172 L CB 1.365 43.496 42.059 0.121 0.000 1.352 3172 L HN 0.885 nan 8.230 nan 0.000 0.443 3173 G N 0.344 109.393 108.800 0.415 0.000 2.627 3173 G HA2 -0.333 3.628 3.960 0.003 0.000 0.312 3173 G HA3 -0.333 3.628 3.960 0.003 0.000 0.312 3173 G C 0.842 175.983 174.900 0.400 0.000 1.299 3173 G CA 0.661 45.964 45.100 0.339 0.000 0.989 3173 G HN 0.651 nan 8.290 nan 0.000 0.547 3174 I N -0.674 120.033 120.570 0.229 0.000 2.118 3174 I HA -0.218 3.953 4.170 0.003 0.000 0.241 3174 I C 2.855 179.176 176.117 0.341 0.000 1.070 3174 I CA 2.497 63.881 61.300 0.140 0.000 1.327 3174 I CB -0.413 37.410 38.000 -0.296 0.000 1.034 3174 I HN 0.584 nan 8.210 nan 0.000 0.405 3175 W N 0.781 122.238 121.300 0.262 0.000 2.308 3175 W HA -0.177 4.485 4.660 0.003 0.000 0.301 3175 W C 2.208 178.845 176.519 0.196 0.000 1.220 3175 W CA 1.376 58.785 57.345 0.107 0.000 1.240 3175 W CB -0.901 28.538 29.460 -0.036 0.000 1.142 3175 W HN 0.287 nan 8.180 nan 0.000 0.521 3176 G N -3.024 106.048 108.800 0.453 0.000 3.192 3176 G HA2 0.173 4.134 3.960 0.003 0.000 0.239 3176 G HA3 0.173 4.134 3.960 0.003 0.000 0.239 3176 G C 0.467 175.114 174.900 -0.422 0.000 1.084 3176 G CA -0.104 45.077 45.100 0.135 0.000 0.784 3176 G HN 0.118 nan 8.290 nan 0.000 0.540 3177 F N -0.920 119.281 119.950 0.419 0.000 2.960 3177 F HA 0.394 4.923 4.527 0.003 0.000 0.345 3177 F C 0.198 176.092 175.800 0.156 0.000 1.147 3177 F CA -1.604 56.480 58.000 0.139 0.000 1.099 3177 F CB 0.271 39.291 39.000 0.033 0.000 1.219 3177 F HN 0.022 nan 8.300 nan 0.000 0.525 3178 F N 2.106 122.259 119.950 0.339 0.000 2.578 3178 F HA 0.393 4.922 4.527 0.002 0.000 0.376 3178 F C 0.445 176.325 175.800 0.133 0.000 1.085 3178 F CA 0.384 58.481 58.000 0.162 0.000 1.260 3178 F CB 0.506 39.490 39.000 -0.027 0.000 1.095 3178 F HN -0.081 nan 8.300 nan 0.000 0.573 3179 S N 3.368 118.627 115.700 -0.734 0.000 2.540 3179 S HA 0.382 4.853 4.470 0.003 0.000 0.275 3179 S C 0.160 174.354 174.600 -0.675 0.000 1.123 3179 S CA -0.077 57.782 58.200 -0.568 0.000 0.907 3179 S CB 1.501 64.518 63.200 -0.304 0.000 1.081 3179 S HN 0.800 nan 8.310 nan 0.000 0.476 3180 T N 0.488 114.789 114.554 -0.422 0.000 3.092 3180 T HA 0.426 4.777 4.350 0.003 0.000 0.258 3180 T C 1.473 176.093 174.700 -0.134 0.000 1.031 3180 T CA 0.490 62.432 62.100 -0.263 0.000 0.925 3180 T CB 0.018 68.821 68.868 -0.108 0.000 1.036 3180 T HN 1.812 nan 8.240 nan 0.000 0.544 3181 G N 2.370 111.087 108.800 -0.139 0.000 2.189 3181 G HA2 -0.240 3.721 3.960 0.003 0.000 0.267 3181 G HA3 -0.240 3.721 3.960 0.003 0.000 0.267 3181 G C -0.249 174.617 174.900 -0.057 0.000 0.975 3181 G CA 0.487 45.532 45.100 -0.093 0.000 0.644 3181 G HN 0.897 nan 8.290 nan 0.000 0.537 3182 D N -1.484 118.895 120.400 -0.035 0.000 2.732 3182 D HA 0.446 5.088 4.640 0.003 0.000 0.292 3182 D C 1.274 177.551 176.300 -0.039 0.000 1.135 3182 D CA -0.176 53.808 54.000 -0.026 0.000 1.071 3182 D CB -0.114 40.696 40.800 0.015 0.000 1.457 3182 D HN 0.137 nan 8.370 nan 0.000 0.547 3183 E N -0.145 119.986 120.200 -0.115 0.000 2.396 3183 E HA -0.239 4.112 4.350 0.003 0.000 0.200 3183 E C 0.680 177.199 176.600 -0.136 0.000 1.023 3183 E CA 1.125 57.442 56.400 -0.138 0.000 0.857 3183 E CB -0.579 29.005 29.700 -0.194 0.000 0.775 3183 E HN 0.495 nan 8.360 nan 0.000 0.525 3184 H N 0.408 119.526 119.070 0.079 0.000 2.547 3184 H HA 0.147 4.705 4.556 0.003 0.000 0.272 3184 H C 0.382 175.813 175.328 0.172 0.000 0.989 3184 H CA 1.134 57.245 56.048 0.105 0.000 1.214 3184 H CB 0.489 30.298 29.762 0.078 0.000 1.389 3184 H HN 0.161 nan 8.280 nan 0.000 0.577 3185 S N -0.255 115.611 115.700 0.276 0.000 2.908 3185 S HA 0.143 4.614 4.470 0.003 0.000 0.140 3185 S C 0.828 175.574 174.600 0.243 0.000 0.890 3185 S CA -0.583 57.880 58.200 0.439 0.000 0.995 3185 S CB -0.005 63.412 63.200 0.361 0.000 1.660 3185 S HN 0.176 nan 8.310 nan 0.000 0.507 3186 R N 1.450 122.036 120.500 0.143 0.000 2.112 3186 R HA 0.143 4.485 4.340 0.003 0.000 0.242 3186 R C 1.477 177.549 176.300 -0.379 0.000 1.137 3186 R CA 1.670 57.695 56.100 -0.126 0.000 0.944 3186 R CB -0.384 29.836 30.300 -0.133 0.000 0.857 3186 R HN 0.938 nan 8.270 nan 0.000 0.435 3187 G N -1.221 106.985 108.800 -0.990 0.000 2.409 3187 G HA2 -0.177 3.785 3.960 0.003 0.000 0.421 3187 G HA3 -0.177 3.785 3.960 0.003 0.000 0.421 3187 G C -0.759 173.300 174.900 -1.400 0.000 1.259 3187 G CA -0.364 43.941 45.100 -1.325 0.000 1.011 3187 G HN 0.258 nan 8.290 nan 0.000 0.497 3188 N N -1.107 117.067 118.700 -0.877 0.000 2.776 3188 N HA -0.194 4.547 4.740 0.003 0.000 0.250 3188 N C 1.241 176.423 175.510 -0.547 0.000 1.112 3188 N CA 1.883 54.634 53.050 -0.498 0.000 0.733 3188 N CB -1.571 36.831 38.487 -0.142 0.000 1.097 3188 N HN 0.712 nan 8.380 nan 0.000 0.558 3189 W N 0.601 121.732 121.300 -0.282 0.000 2.318 3189 W HA -0.164 4.498 4.660 0.002 0.000 0.313 3189 W C 2.502 178.871 176.519 -0.249 0.000 1.221 3189 W CA 0.876 58.109 57.345 -0.186 0.000 1.266 3189 W CB -0.794 28.600 29.460 -0.110 0.000 1.150 3189 W HN 0.295 nan 8.180 nan 0.000 0.496 3190 G N 0.089 108.626 108.800 -0.438 0.000 2.476 3190 G HA2 -0.298 3.664 3.960 0.003 0.000 0.218 3190 G HA3 -0.298 3.664 3.960 0.003 0.000 0.218 3190 G C 1.213 176.074 174.900 -0.065 0.000 1.164 3190 G CA 1.523 46.478 45.100 -0.241 0.000 0.768 3190 G HN 0.298 nan 8.290 nan 0.000 0.560 3191 H N 0.391 119.436 119.070 -0.041 0.000 2.387 3191 H HA 0.055 4.613 4.556 0.002 0.000 0.299 3191 H C 2.756 178.078 175.328 -0.011 0.000 1.090 3191 H CA 0.909 56.936 56.048 -0.036 0.000 1.332 3191 H CB -0.393 29.356 29.762 -0.022 0.000 1.386 3191 H HN 0.269 nan 8.280 nan 0.000 0.516 3192 L N 0.448 121.753 121.223 0.135 0.000 2.046 3192 L HA -0.177 4.164 4.340 0.003 0.000 0.208 3192 L C 2.163 179.140 176.870 0.178 0.000 1.077 3192 L CA 1.153 56.081 54.840 0.147 0.000 0.747 3192 L CB -0.321 41.847 42.059 0.181 0.000 0.896 3192 L HN 0.132 nan 8.230 nan 0.000 0.432 3193 D N -0.088 120.437 120.400 0.209 0.000 2.123 3193 D HA -0.207 4.435 4.640 0.003 0.000 0.196 3193 D C 2.303 178.769 176.300 0.276 0.000 0.992 3193 D CA 1.195 55.386 54.000 0.319 0.000 0.833 3193 D CB -0.191 40.818 40.800 0.348 0.000 0.954 3193 D HN 0.434 nan 8.370 nan 0.000 0.455 3194 Q N 0.253 120.136 119.800 0.138 0.000 2.061 3194 Q HA -0.108 4.233 4.340 0.003 0.000 0.204 3194 Q C 2.475 178.456 176.000 -0.031 0.000 0.984 3194 Q CA 1.010 56.806 55.803 -0.011 0.000 0.846 3194 Q CB -0.147 28.523 28.738 -0.114 0.000 0.902 3194 Q HN 0.166 nan 8.270 nan 0.000 0.421 3195 V N 1.295 121.227 119.914 0.029 0.000 2.287 3195 V HA -0.314 3.807 4.120 0.003 0.000 0.248 3195 V C 2.370 178.505 176.094 0.068 0.000 1.053 3195 V CA 1.837 64.162 62.300 0.042 0.000 1.027 3195 V CB -1.154 30.712 31.823 0.072 0.000 0.646 3195 V HN 0.429 nan 8.190 nan 0.000 0.447 3196 A N 0.204 123.102 122.820 0.130 0.000 1.873 3196 A HA -0.243 4.078 4.320 0.003 0.000 0.218 3196 A C 2.456 180.102 177.584 0.105 0.000 1.193 3196 A CA 2.595 54.755 52.037 0.206 0.000 0.629 3196 A CB -1.004 18.221 19.000 0.375 0.000 0.826 3196 A HN 0.626 nan 8.150 nan 0.000 0.447 3197 A N -0.493 122.166 122.820 -0.269 0.000 1.940 3197 A HA -0.076 4.246 4.320 0.003 0.000 0.219 3197 A C 2.177 179.682 177.584 -0.132 0.000 1.176 3197 A CA 1.578 53.190 52.037 -0.708 0.000 0.631 3197 A CB -0.622 17.665 19.000 -1.189 0.000 0.814 3197 A HN 0.505 nan 8.150 nan 0.000 0.446 3198 L N -1.058 120.131 121.223 -0.057 0.000 2.083 3198 L HA -0.200 4.142 4.340 0.003 0.000 0.209 3198 L C 2.858 179.785 176.870 0.096 0.000 1.083 3198 L CA 1.409 56.270 54.840 0.036 0.000 0.752 3198 L CB -0.485 41.593 42.059 0.031 0.000 0.899 3198 L HN 0.398 nan 8.230 nan 0.000 0.433 3199 R N -1.156 119.411 120.500 0.113 0.000 2.092 3199 R HA -0.206 4.136 4.340 0.003 0.000 0.231 3199 R C 2.066 178.448 176.300 0.137 0.000 1.119 3199 R CA 1.639 57.809 56.100 0.116 0.000 0.970 3199 R CB -0.559 29.818 30.300 0.127 0.000 0.864 3199 R HN 0.396 nan 8.270 nan 0.000 0.440 3200 W N 1.562 122.884 121.300 0.036 0.000 2.338 3200 W HA -0.234 4.428 4.660 0.002 0.000 0.304 3200 W C 1.836 178.376 176.519 0.034 0.000 1.212 3200 W CA 1.431 58.814 57.345 0.063 0.000 1.264 3200 W CB -0.213 29.304 29.460 0.095 0.000 1.142 3200 W HN -0.239 nan 8.180 nan 0.000 0.512 3201 V N 1.011 121.085 119.914 0.267 0.000 2.343 3201 V HA -0.357 3.764 4.120 0.003 0.000 0.247 3201 V C 2.549 178.612 176.094 -0.052 0.000 1.051 3201 V CA 2.143 64.516 62.300 0.122 0.000 1.036 3201 V CB -1.091 30.846 31.823 0.190 0.000 0.654 3201 V HN 0.207 nan 8.190 nan 0.000 0.451 3202 Q N -0.086 119.709 119.800 -0.009 0.000 2.050 3202 Q HA -0.194 4.148 4.340 0.003 0.000 0.202 3202 Q C 1.927 177.865 176.000 -0.103 0.000 0.980 3202 Q CA 1.636 57.427 55.803 -0.019 0.000 0.840 3202 Q CB -0.668 28.080 28.738 0.016 0.000 0.898 3202 Q HN 0.625 nan 8.270 nan 0.000 0.424 3203 D N -0.341 119.952 120.400 -0.179 0.000 2.347 3203 D HA -0.008 4.633 4.640 0.003 0.000 0.215 3203 D C 0.937 177.003 176.300 -0.390 0.000 0.976 3203 D CA 0.427 54.278 54.000 -0.249 0.000 0.884 3203 D CB 0.189 40.848 40.800 -0.236 0.000 0.915 3203 D HN 0.276 nan 8.370 nan 0.000 0.526 3204 N N -0.418 117.943 118.700 -0.564 0.000 2.324 3204 N HA 0.000 4.742 4.740 0.003 0.000 0.235 3204 N C 1.552 176.881 175.510 -0.303 0.000 1.162 3204 N CA -0.240 52.439 53.050 -0.619 0.000 0.834 3204 N CB 0.689 38.354 38.487 -1.369 0.000 1.354 3204 N HN -0.034 nan 8.380 nan 0.000 0.471 3205 I N 2.962 123.382 120.570 -0.251 0.000 2.367 3205 I HA -0.249 3.923 4.170 0.003 0.000 0.256 3205 I C 2.160 178.361 176.117 0.140 0.000 1.132 3205 I CA 0.850 62.162 61.300 0.020 0.000 1.397 3205 I CB -0.347 37.678 38.000 0.042 0.000 1.074 3205 I HN 0.135 nan 8.210 nan 0.000 0.435 3206 A N -1.129 121.715 122.820 0.041 0.000 1.940 3206 A HA -0.217 4.105 4.320 0.003 0.000 0.219 3206 A C 2.374 179.990 177.584 0.052 0.000 1.176 3206 A CA 2.084 54.144 52.037 0.039 0.000 0.631 3206 A CB -0.970 18.022 19.000 -0.014 0.000 0.814 3206 A HN 0.461 nan 8.150 nan 0.000 0.446 3207 S N -1.287 114.436 115.700 0.038 0.000 2.603 3207 S HA 0.082 4.554 4.470 0.003 0.000 0.229 3207 S C 0.230 174.682 174.600 -0.247 0.000 0.972 3207 S CA 0.498 58.626 58.200 -0.120 0.000 0.935 3207 S CB -0.383 62.665 63.200 -0.252 0.000 0.769 3207 S HN 0.546 nan 8.310 nan 0.000 0.536 3208 F N 0.255 120.195 119.950 -0.017 0.000 2.735 3208 F HA 0.387 4.917 4.527 0.004 0.000 0.304 3208 F C 1.470 177.317 175.800 0.078 0.000 1.119 3208 F CA -0.398 57.618 58.000 0.026 0.000 1.280 3208 F CB 0.189 39.204 39.000 0.025 0.000 0.994 3208 F HN 0.152 nan 8.300 nan 0.000 0.520 3209 G N 0.420 109.332 108.800 0.187 0.000 2.148 3209 G HA2 -0.181 3.780 3.960 0.003 0.000 0.254 3209 G HA3 -0.181 3.780 3.960 0.003 0.000 0.254 3209 G C 0.630 175.614 174.900 0.140 0.000 0.981 3209 G CA -0.108 45.078 45.100 0.144 0.000 0.670 3209 G HN 0.773 nan 8.290 nan 0.000 0.528 3210 G N -0.584 108.311 108.800 0.157 0.000 2.477 3210 G HA2 0.508 4.470 3.960 0.003 0.000 0.304 3210 G HA3 0.508 4.470 3.960 0.003 0.000 0.304 3210 G C -0.270 174.680 174.900 0.083 0.000 1.175 3210 G CA -0.024 45.151 45.100 0.126 0.000 0.907 3210 G HN 0.648 nan 8.290 nan 0.000 0.509 3211 N N 1.025 119.764 118.700 0.065 0.000 2.546 3211 N HA 0.315 5.057 4.740 0.003 0.000 0.238 3211 N C -1.034 174.501 175.510 0.041 0.000 0.984 3211 N CA -2.334 50.737 53.050 0.035 0.000 0.935 3211 N CB 1.996 40.490 38.487 0.011 0.000 1.122 3211 N HN 0.095 nan 8.380 nan 0.000 0.510 3212 P HA -0.101 nan 4.420 nan 0.000 0.220 3212 P C 1.000 178.361 177.300 0.102 0.000 1.144 3212 P CA 0.965 64.106 63.100 0.068 0.000 0.800 3212 P CB 0.119 31.837 31.700 0.031 0.000 0.772 3213 G N -0.881 107.918 108.800 -0.001 0.000 2.650 3213 G HA2 -0.061 3.901 3.960 0.003 0.000 0.214 3213 G HA3 -0.061 3.901 3.960 0.003 0.000 0.214 3213 G C 0.794 175.426 174.900 -0.446 0.000 1.136 3213 G CA 0.202 45.202 45.100 -0.167 0.000 0.789 3213 G HN 0.374 nan 8.290 nan 0.000 0.536 3214 S N 0.279 115.909 115.700 -0.116 0.000 2.128 3214 S HA 0.488 4.960 4.470 0.003 0.000 0.157 3214 S C -0.582 174.113 174.600 0.157 0.000 1.650 3214 S CA -0.486 57.684 58.200 -0.050 0.000 1.269 3214 S CB 0.248 63.405 63.200 -0.072 0.000 1.227 3214 S HN -0.041 nan 8.310 nan 0.000 0.405 3215 V N 3.007 123.162 119.914 0.401 0.000 2.439 3215 V HA 0.550 4.671 4.120 0.003 0.000 0.282 3215 V C 0.241 176.477 176.094 0.236 0.000 1.039 3215 V CA -0.327 62.133 62.300 0.266 0.000 0.913 3215 V CB 1.752 33.716 31.823 0.235 0.000 0.983 3215 V HN 0.623 nan 8.190 nan 0.000 0.460 3216 T N 5.967 120.625 114.554 0.175 0.000 2.812 3216 T HA 0.613 4.965 4.350 0.003 0.000 0.282 3216 T C -0.268 174.551 174.700 0.198 0.000 0.990 3216 T CA -0.238 61.956 62.100 0.156 0.000 0.960 3216 T CB 1.074 69.975 68.868 0.056 0.000 0.948 3216 T HN 0.603 nan 8.240 nan 0.000 0.438 3217 I N 1.188 121.849 120.570 0.151 0.000 2.488 3217 I HA 0.917 5.089 4.170 0.003 0.000 0.299 3217 I C -0.920 175.381 176.117 0.306 0.000 0.984 3217 I CA -1.077 60.297 61.300 0.123 0.000 1.250 3217 I CB 1.144 38.976 38.000 -0.279 0.000 1.389 3217 I HN 0.564 nan 8.210 nan 0.000 0.488 3218 F N 2.392 122.339 119.950 -0.005 0.000 2.650 3218 F HA 0.947 5.476 4.527 0.002 0.000 0.310 3218 F C -0.558 175.144 175.800 -0.164 0.000 1.112 3218 F CA -1.031 57.000 58.000 0.051 0.000 0.986 3218 F CB 1.061 40.215 39.000 0.256 0.000 1.285 3218 F HN 0.861 nan 8.300 nan 0.000 0.440 3219 G N 1.113 109.685 108.800 -0.381 0.000 2.645 3219 G HA2 0.551 4.513 3.960 0.003 0.000 0.292 3219 G HA3 0.551 4.513 3.960 0.003 0.000 0.292 3219 G C -2.457 172.125 174.900 -0.529 0.000 1.415 3219 G CA -0.760 43.647 45.100 -1.156 0.000 0.785 3219 G HN 0.901 nan 8.290 nan 0.000 0.483 3220 E N -0.257 119.641 120.200 -0.503 0.000 2.393 3220 E HA 0.621 4.972 4.350 0.003 0.000 0.273 3220 E C 0.489 177.103 176.600 0.023 0.000 0.918 3220 E CA 0.320 56.694 56.400 -0.043 0.000 0.773 3220 E CB 2.280 32.080 29.700 0.166 0.000 1.275 3220 E HN 1.103 nan 8.360 nan 0.000 0.451 3221 S N 1.874 117.667 115.700 0.155 0.000 3.762 3221 S HA -0.382 4.090 4.470 0.003 0.000 0.627 3221 S C 1.475 176.167 174.600 0.152 0.000 2.389 3221 S CA 2.284 60.673 58.200 0.316 0.000 3.978 3221 S CB -1.627 61.842 63.200 0.447 0.000 0.234 3221 S HN 1.163 nan 8.310 nan 0.000 0.960 3222 A N 0.763 123.661 122.820 0.129 0.000 1.986 3222 A HA 0.042 4.363 4.320 0.003 0.000 0.220 3222 A C 2.562 180.108 177.584 -0.064 0.000 1.171 3222 A CA 2.728 54.782 52.037 0.028 0.000 0.640 3222 A CB -1.722 17.303 19.000 0.043 0.000 0.811 3222 A HN 1.763 nan 8.150 nan 0.000 0.451 3223 G N -0.938 107.788 108.800 -0.122 0.000 2.422 3223 G HA2 0.080 4.041 3.960 0.003 0.000 0.218 3223 G HA3 0.080 4.041 3.960 0.003 0.000 0.218 3223 G C 1.450 176.169 174.900 -0.303 0.000 1.140 3223 G CA 1.176 46.078 45.100 -0.331 0.000 0.775 3223 G HN 0.701 nan 8.290 nan 0.000 0.545 3224 G N 0.262 108.959 108.800 -0.171 0.000 2.403 3224 G HA2 -0.124 3.838 3.960 0.003 0.000 0.216 3224 G HA3 -0.124 3.838 3.960 0.003 0.000 0.216 3224 G C 1.543 176.408 174.900 -0.058 0.000 1.154 3224 G CA 1.046 46.094 45.100 -0.086 0.000 0.784 3224 G HN 0.416 nan 8.290 nan 0.000 0.538 3225 E N 1.207 121.377 120.200 -0.049 0.000 2.077 3225 E HA -0.126 4.226 4.350 0.003 0.000 0.193 3225 E C 2.583 179.116 176.600 -0.112 0.000 0.989 3225 E CA 1.352 57.717 56.400 -0.059 0.000 0.800 3225 E CB -0.292 29.377 29.700 -0.051 0.000 0.746 3225 E HN 0.345 nan 8.360 nan 0.000 0.452 3226 S N 0.408 116.028 115.700 -0.133 0.000 2.370 3226 S HA -0.146 4.326 4.470 0.003 0.000 0.226 3226 S C 2.206 176.649 174.600 -0.262 0.000 1.033 3226 S CA 1.366 59.457 58.200 -0.182 0.000 1.011 3226 S CB -0.389 62.681 63.200 -0.216 0.000 0.852 3226 S HN 0.162 nan 8.310 nan 0.000 0.457 3227 V N 1.499 121.265 119.914 -0.246 0.000 2.287 3227 V HA -0.192 3.929 4.120 0.003 0.000 0.248 3227 V C 2.588 178.522 176.094 -0.268 0.000 1.053 3227 V CA 2.035 64.168 62.300 -0.277 0.000 1.027 3227 V CB -1.106 30.613 31.823 -0.174 0.000 0.646 3227 V HN 0.555 nan 8.190 nan 0.000 0.447 3228 S N -0.394 115.218 115.700 -0.147 0.000 2.374 3228 S HA -0.194 4.278 4.470 0.003 0.000 0.227 3228 S C 1.959 176.445 174.600 -0.189 0.000 1.037 3228 S CA 1.951 60.085 58.200 -0.109 0.000 1.024 3228 S CB -0.276 62.929 63.200 0.007 0.000 0.861 3228 S HN 0.348 nan 8.310 nan 0.000 0.456 3229 V N 1.973 121.746 119.914 -0.235 0.000 2.295 3229 V HA -0.137 3.984 4.120 0.003 0.000 0.246 3229 V C 2.368 178.291 176.094 -0.284 0.000 1.049 3229 V CA 1.874 63.993 62.300 -0.301 0.000 1.024 3229 V CB -0.710 30.817 31.823 -0.494 0.000 0.648 3229 V HN 0.481 nan 8.190 nan 0.000 0.447 3230 L N -0.167 120.884 121.223 -0.287 0.000 2.127 3230 L HA -0.140 4.202 4.340 0.003 0.000 0.211 3230 L C 2.279 179.144 176.870 -0.008 0.000 1.089 3230 L CA 0.924 55.647 54.840 -0.195 0.000 0.757 3230 L CB -0.596 41.262 42.059 -0.335 0.000 0.899 3230 L HN 0.222 nan 8.230 nan 0.000 0.434 3231 V N -0.201 119.678 119.914 -0.058 0.000 3.141 3231 V HA -0.170 3.952 4.120 0.003 0.000 0.265 3231 V C 1.897 177.934 176.094 -0.095 0.000 1.126 3231 V CA 1.151 63.514 62.300 0.106 0.000 1.141 3231 V CB -0.187 31.524 31.823 -0.187 0.000 0.743 3231 V HN 0.404 nan 8.190 nan 0.000 0.492 3232 L N -1.337 119.708 121.223 -0.295 0.000 2.609 3232 L HA 0.248 4.590 4.340 0.003 0.000 0.230 3232 L C 1.207 177.689 176.870 -0.646 0.000 1.087 3232 L CA 0.189 54.713 54.840 -0.527 0.000 0.874 3232 L CB 0.349 42.227 42.059 -0.302 0.000 1.114 3232 L HN 0.197 nan 8.230 nan 0.000 0.488 3233 S N 0.460 115.925 115.700 -0.393 0.000 2.523 3233 S HA 0.206 4.678 4.470 0.003 0.000 0.275 3233 S C -1.586 172.936 174.600 -0.130 0.000 1.281 3233 S CA -1.264 56.793 58.200 -0.238 0.000 1.050 3233 S CB 1.158 64.284 63.200 -0.123 0.000 0.937 3233 S HN -0.108 nan 8.310 nan 0.000 0.492 3234 P HA -0.056 nan 4.420 nan 0.000 0.217 3234 P C 1.362 178.753 177.300 0.152 0.000 1.150 3234 P CA 0.961 64.138 63.100 0.128 0.000 0.832 3234 P CB 0.052 31.788 31.700 0.060 0.000 0.787 3235 L N -0.985 120.288 121.223 0.084 0.000 2.042 3235 L HA -0.206 4.136 4.340 0.003 0.000 0.210 3235 L C 2.456 179.402 176.870 0.127 0.000 1.076 3235 L CA 1.750 56.644 54.840 0.089 0.000 0.749 3235 L CB -1.285 40.810 42.059 0.060 0.000 0.893 3235 L HN -0.026 nan 8.230 nan 0.000 0.432 3236 A N -0.207 122.714 122.820 0.167 0.000 1.930 3236 A HA -0.181 4.140 4.320 0.003 0.000 0.217 3236 A C 1.335 179.066 177.584 0.244 0.000 1.175 3236 A CA 0.433 52.627 52.037 0.261 0.000 0.627 3236 A CB -0.393 18.846 19.000 0.400 0.000 0.815 3236 A HN 0.292 nan 8.150 nan 0.000 0.443 3237 K N 0.637 121.191 120.400 0.257 0.000 2.464 3237 K HA -0.203 4.118 4.320 0.003 0.000 0.265 3237 K C -0.322 176.297 176.600 0.032 0.000 1.055 3237 K CA 0.997 57.362 56.287 0.130 0.000 1.161 3237 K CB -0.247 32.350 32.500 0.162 0.000 0.804 3237 K HN 0.552 nan 8.250 nan 0.000 0.486 3238 N N 1.987 120.645 118.700 -0.070 0.000 2.925 3238 N HA -0.212 4.529 4.740 0.003 0.000 0.244 3238 N C 0.104 175.551 175.510 -0.104 0.000 1.000 3238 N CA 1.167 54.172 53.050 -0.075 0.000 0.895 3238 N CB -0.993 37.496 38.487 0.002 0.000 1.119 3238 N HN 0.577 nan 8.380 nan 0.000 0.569 3239 L N -0.849 120.325 121.223 -0.081 0.000 2.664 3239 L HA 0.276 4.617 4.340 0.003 0.000 0.233 3239 L C 0.263 177.179 176.870 0.077 0.000 1.113 3239 L CA 0.197 55.072 54.840 0.059 0.000 0.896 3239 L CB 0.080 42.251 42.059 0.186 0.000 1.163 3239 L HN 0.155 nan 8.230 nan 0.000 0.497 3240 F N -4.059 115.652 119.950 -0.398 0.000 2.711 3240 F HA 0.457 4.985 4.527 0.002 0.000 0.313 3240 F C 0.063 175.415 175.800 -0.747 0.000 1.141 3240 F CA -1.186 56.543 58.000 -0.451 0.000 0.941 3240 F CB 0.883 39.773 39.000 -0.183 0.000 1.349 3240 F HN -0.093 nan 8.300 nan 0.000 0.464 3241 H N -1.121 117.944 119.070 -0.009 0.000 3.398 3241 H HA 0.548 5.106 4.556 0.003 0.000 0.260 3241 H C -0.786 174.473 175.328 -0.114 0.000 1.189 3241 H CA -0.437 55.517 56.048 -0.156 0.000 1.145 3241 H CB 0.732 30.429 29.762 -0.108 0.000 1.599 3241 H HN 0.474 nan 8.280 nan 0.000 0.615 3242 R N 0.392 120.961 120.500 0.115 0.000 2.604 3242 R HA 0.726 5.067 4.340 0.003 0.000 0.261 3242 R C -1.658 174.813 176.300 0.285 0.000 1.080 3242 R CA -0.620 55.521 56.100 0.068 0.000 0.917 3242 R CB 2.065 32.235 30.300 -0.217 0.000 1.252 3242 R HN 0.151 nan 8.270 nan 0.000 0.456 3243 A N 2.912 125.950 122.820 0.362 0.000 2.475 3243 A HA 0.868 5.190 4.320 0.003 0.000 0.301 3243 A C -1.129 176.707 177.584 0.419 0.000 1.059 3243 A CA -0.675 51.532 52.037 0.283 0.000 0.710 3243 A CB 1.280 20.297 19.000 0.028 0.000 1.288 3243 A HN 0.587 nan 8.150 nan 0.000 0.408 3244 I N 1.082 121.827 120.570 0.292 0.000 2.571 3244 I HA 0.340 4.511 4.170 0.003 0.000 0.289 3244 I C -0.465 175.787 176.117 0.225 0.000 1.115 3244 I CA -0.296 61.123 61.300 0.197 0.000 1.045 3244 I CB 2.483 40.506 38.000 0.039 0.000 1.238 3244 I HN 0.486 nan 8.210 nan 0.000 0.424 3245 S N 4.903 120.704 115.700 0.169 0.000 2.530 3245 S HA 0.375 4.846 4.470 0.003 0.000 0.322 3245 S C -0.595 174.061 174.600 0.093 0.000 1.085 3245 S CA -0.686 57.585 58.200 0.118 0.000 1.096 3245 S CB 1.171 64.437 63.200 0.110 0.000 0.988 3245 S HN 0.479 nan 8.310 nan 0.000 0.466 3246 E N 1.797 122.094 120.200 0.162 0.000 2.073 3246 E HA 0.351 4.702 4.350 0.003 0.000 0.269 3246 E C -0.488 176.197 176.600 0.141 0.000 0.917 3246 E CA -0.557 55.978 56.400 0.225 0.000 0.757 3246 E CB 0.989 30.907 29.700 0.362 0.000 1.111 3246 E HN 0.648 nan 8.360 nan 0.000 0.410 3247 S N 1.933 117.698 115.700 0.108 0.000 3.697 3247 S HA -0.131 4.340 4.470 0.003 0.000 0.388 3247 S C 0.061 174.901 174.600 0.399 0.000 0.941 3247 S CA 0.495 58.800 58.200 0.175 0.000 1.247 3247 S CB -1.140 62.081 63.200 0.035 0.000 0.904 3247 S HN 0.947 nan 8.310 nan 0.000 0.518 3248 G N -0.787 108.178 108.800 0.275 0.000 2.050 3248 G HA2 0.500 4.461 3.960 0.003 0.000 0.274 3248 G HA3 0.500 4.461 3.960 0.003 0.000 0.274 3248 G C -0.785 174.153 174.900 0.065 0.000 1.733 3248 G CA 0.037 45.258 45.100 0.202 0.000 0.905 3248 G HN 1.433 nan 8.290 nan 0.000 0.728 3249 V N -0.183 119.736 119.914 0.009 0.000 3.156 3249 V HA 0.949 5.070 4.120 0.003 0.000 0.311 3249 V C 1.394 177.458 176.094 -0.050 0.000 1.208 3249 V CA 0.014 62.308 62.300 -0.010 0.000 1.063 3249 V CB 1.122 32.934 31.823 -0.018 0.000 1.098 3249 V HN 1.878 nan 8.190 nan 0.000 0.452 3250 A N -0.377 122.414 122.820 -0.048 0.000 1.930 3250 A HA 0.067 4.388 4.320 0.003 0.000 0.217 3250 A C 1.779 179.311 177.584 -0.087 0.000 1.175 3250 A CA 1.751 53.740 52.037 -0.080 0.000 0.627 3250 A CB -0.801 18.147 19.000 -0.087 0.000 0.815 3250 A HN 0.851 nan 8.150 nan 0.000 0.443 3251 L N 0.336 121.514 121.223 -0.074 0.000 2.549 3251 L HA -0.059 4.283 4.340 0.003 0.000 0.229 3251 L C 0.491 177.290 176.870 -0.118 0.000 1.158 3251 L CA 0.423 55.213 54.840 -0.083 0.000 0.842 3251 L CB -0.779 41.244 42.059 -0.060 0.000 0.952 3251 L HN 0.182 nan 8.230 nan 0.000 0.452 3252 T N 0.366 114.837 114.554 -0.139 0.000 3.416 3252 T HA 0.005 4.356 4.350 0.003 0.000 0.247 3252 T C 1.483 176.069 174.700 -0.190 0.000 0.973 3252 T CA -0.010 61.969 62.100 -0.201 0.000 1.166 3252 T CB 0.202 68.932 68.868 -0.230 0.000 1.040 3252 T HN 0.280 nan 8.240 nan 0.000 0.746 3253 S N 2.365 117.955 115.700 -0.183 0.000 2.407 3253 S HA -0.206 4.266 4.470 0.003 0.000 0.244 3253 S C 2.332 176.827 174.600 -0.176 0.000 1.077 3253 S CA 1.495 59.589 58.200 -0.176 0.000 1.159 3253 S CB -0.719 62.364 63.200 -0.195 0.000 1.045 3253 S HN 0.610 nan 8.310 nan 0.000 0.438 3254 V N 1.889 121.686 119.914 -0.195 0.000 2.313 3254 V HA -0.219 3.903 4.120 0.003 0.000 0.253 3254 V C 1.880 177.886 176.094 -0.147 0.000 1.070 3254 V CA 1.966 64.164 62.300 -0.169 0.000 1.057 3254 V CB -0.458 31.263 31.823 -0.171 0.000 0.653 3254 V HN 0.542 nan 8.190 nan 0.000 0.450 3255 L N -0.615 120.516 121.223 -0.154 0.000 2.395 3255 L HA 0.085 4.427 4.340 0.003 0.000 0.218 3255 L C 0.576 177.360 176.870 -0.143 0.000 1.130 3255 L CA 0.158 54.906 54.840 -0.153 0.000 0.826 3255 L CB 0.200 42.173 42.059 -0.143 0.000 0.941 3255 L HN 0.176 nan 8.230 nan 0.000 0.451 3256 V N 1.267 121.105 119.914 -0.126 0.000 2.370 3256 V HA 0.205 4.326 4.120 0.003 0.000 0.283 3256 V C -0.052 175.982 176.094 -0.101 0.000 1.023 3256 V CA -0.851 61.386 62.300 -0.105 0.000 0.857 3256 V CB 1.465 33.227 31.823 -0.102 0.000 0.985 3256 V HN 0.021 nan 8.190 nan 0.000 0.443 3257 K N 5.351 125.699 120.400 -0.087 0.000 2.273 3257 K HA 0.401 4.722 4.320 0.003 0.000 0.287 3257 K C -0.217 176.339 176.600 -0.074 0.000 1.089 3257 K CA -0.130 56.109 56.287 -0.079 0.000 0.909 3257 K CB 0.804 33.262 32.500 -0.071 0.000 1.123 3257 K HN 0.575 nan 8.250 nan 0.000 0.473 3258 K N 0.715 121.070 120.400 -0.075 0.000 2.123 3258 K HA 0.646 4.967 4.320 0.003 0.000 0.259 3258 K C 0.334 176.899 176.600 -0.057 0.000 0.960 3258 K CA -0.622 55.624 56.287 -0.069 0.000 0.872 3258 K CB 1.556 34.010 32.500 -0.077 0.000 1.079 3258 K HN 0.716 nan 8.250 nan 0.000 0.440 3259 G N 1.584 110.353 108.800 -0.051 0.000 2.655 3259 G HA2 -0.207 3.755 3.960 0.003 0.000 0.680 3259 G HA3 -0.207 3.755 3.960 0.003 0.000 0.680 3259 G C -1.364 173.510 174.900 -0.042 0.000 1.302 3259 G CA -0.840 44.235 45.100 -0.041 0.000 0.872 3259 G HN 0.714 nan 8.290 nan 0.000 0.540 3260 D N -0.380 119.999 120.400 -0.035 0.000 2.382 3260 D HA 0.350 4.991 4.640 0.003 0.000 0.259 3260 D C 1.764 178.038 176.300 -0.043 0.000 1.224 3260 D CA 0.726 54.703 54.000 -0.038 0.000 0.894 3260 D CB 1.265 42.049 40.800 -0.027 0.000 1.127 3260 D HN 1.305 nan 8.370 nan 0.000 0.487 3261 V N 2.076 121.954 119.914 -0.061 0.000 3.506 3261 V HA 0.091 4.213 4.120 0.003 0.000 0.263 3261 V C 2.098 178.144 176.094 -0.080 0.000 1.203 3261 V CA 0.429 62.685 62.300 -0.074 0.000 1.133 3261 V CB -0.374 31.387 31.823 -0.104 0.000 0.802 3261 V HN 0.359 nan 8.190 nan 0.000 0.459 3262 K N 2.088 122.445 120.400 -0.072 0.000 2.127 3262 K HA -0.148 4.173 4.320 0.003 0.000 0.212 3262 K C -0.156 176.419 176.600 -0.042 0.000 1.050 3262 K CA 2.725 58.974 56.287 -0.063 0.000 0.929 3262 K CB -1.747 30.730 32.500 -0.038 0.000 0.715 3262 K HN 0.452 nan 8.250 nan 0.000 0.457 3263 P HA -0.178 nan 4.420 nan 0.000 0.215 3263 P C 1.423 178.725 177.300 0.003 0.000 1.157 3263 P CA 1.095 64.190 63.100 -0.008 0.000 0.868 3263 P CB -0.014 31.683 31.700 -0.005 0.000 0.788 3264 L N -1.137 120.083 121.223 -0.005 0.000 2.083 3264 L HA -0.179 4.162 4.340 0.003 0.000 0.209 3264 L C 2.131 179.021 176.870 0.035 0.000 1.083 3264 L CA 1.748 56.599 54.840 0.019 0.000 0.752 3264 L CB -0.886 41.177 42.059 0.007 0.000 0.899 3264 L HN -0.044 nan 8.230 nan 0.000 0.433 3265 A N 0.013 122.817 122.820 -0.027 0.000 1.865 3265 A HA -0.286 4.035 4.320 0.003 0.000 0.217 3265 A C 2.003 179.661 177.584 0.123 0.000 1.191 3265 A CA 2.020 54.052 52.037 -0.009 0.000 0.623 3265 A CB -0.658 18.229 19.000 -0.188 0.000 0.826 3265 A HN 0.551 nan 8.150 nan 0.000 0.444 3266 E N -1.073 119.161 120.200 0.058 0.000 2.160 3266 E HA -0.267 4.084 4.350 0.003 0.000 0.195 3266 E C 2.239 178.875 176.600 0.060 0.000 0.991 3266 E CA 1.401 57.836 56.400 0.058 0.000 0.810 3266 E CB -0.117 29.601 29.700 0.029 0.000 0.742 3266 E HN 0.805 nan 8.360 nan 0.000 0.466 3267 Q N 0.853 120.689 119.800 0.061 0.000 2.016 3267 Q HA -0.150 4.192 4.340 0.003 0.000 0.200 3267 Q C 2.102 178.147 176.000 0.074 0.000 0.978 3267 Q CA 1.343 57.181 55.803 0.058 0.000 0.833 3267 Q CB -0.032 28.741 28.738 0.059 0.000 0.895 3267 Q HN 0.263 nan 8.270 nan 0.000 0.427 3268 I N 0.641 121.280 120.570 0.115 0.000 2.163 3268 I HA -0.316 3.856 4.170 0.003 0.000 0.243 3268 I C 2.423 178.574 176.117 0.056 0.000 1.085 3268 I CA 0.977 62.348 61.300 0.117 0.000 1.347 3268 I CB -0.619 37.503 38.000 0.204 0.000 1.044 3268 I HN 0.356 nan 8.210 nan 0.000 0.408 3269 A N 1.376 124.242 122.820 0.077 0.000 1.873 3269 A HA -0.226 4.096 4.320 0.003 0.000 0.218 3269 A C 2.304 179.891 177.584 0.005 0.000 1.193 3269 A CA 1.813 53.862 52.037 0.020 0.000 0.629 3269 A CB -0.931 18.105 19.000 0.060 0.000 0.826 3269 A HN 0.388 nan 8.150 nan 0.000 0.447 3270 I N -0.456 120.127 120.570 0.021 0.000 2.127 3270 I HA -0.259 3.913 4.170 0.003 0.000 0.241 3270 I C 2.583 178.703 176.117 0.005 0.000 1.075 3270 I CA 1.941 63.248 61.300 0.011 0.000 1.334 3270 I CB -0.987 37.022 38.000 0.016 0.000 1.040 3270 I HN 0.289 nan 8.210 nan 0.000 0.405 3271 T N 0.868 115.428 114.554 0.011 0.000 2.778 3271 T HA -0.169 4.182 4.350 0.003 0.000 0.269 3271 T C 1.752 176.450 174.700 -0.004 0.000 1.050 3271 T CA 1.416 63.519 62.100 0.006 0.000 1.137 3271 T CB -0.308 68.571 68.868 0.018 0.000 0.860 3271 T HN 0.513 nan 8.240 nan 0.000 0.468 3272 A N 0.365 123.175 122.820 -0.016 0.000 2.238 3272 A HA 0.523 4.845 4.320 0.003 0.000 0.208 3272 A C 1.785 179.351 177.584 -0.029 0.000 1.177 3272 A CA 0.647 52.663 52.037 -0.034 0.000 0.804 3272 A CB -0.618 18.337 19.000 -0.074 0.000 0.823 3272 A HN 0.800 nan 8.150 nan 0.000 0.482 3273 G N -1.706 107.083 108.800 -0.019 0.000 2.204 3273 G HA2 -0.207 3.755 3.960 0.003 0.000 0.244 3273 G HA3 -0.207 3.755 3.960 0.003 0.000 0.244 3273 G C -0.022 174.869 174.900 -0.015 0.000 1.062 3273 G CA -0.001 45.090 45.100 -0.014 0.000 0.798 3273 G HN 0.595 nan 8.290 nan 0.000 0.496 3274 c N -0.368 118.222 118.600 -0.016 0.000 2.470 3274 c HA 0.766 5.337 4.570 0.003 0.000 0.341 3274 c C 1.012 175.103 174.090 0.000 0.000 1.190 3274 c CA -0.903 55.419 56.329 -0.012 0.000 1.904 3274 c CB 1.635 44.129 42.510 -0.028 0.000 2.354 3274 c HN 0.620 nan 8.230 nan 0.000 0.509 3275 K N 0.330 120.734 120.400 0.006 0.000 2.273 3275 K HA 0.423 4.745 4.320 0.003 0.000 0.240 3275 K C 0.803 177.411 176.600 0.013 0.000 1.056 3275 K CA 0.151 56.443 56.287 0.009 0.000 0.910 3275 K CB 0.273 32.779 32.500 0.010 0.000 1.196 3275 K HN 0.854 nan 8.250 nan 0.000 0.509 3276 T N -4.155 110.406 114.554 0.012 0.000 3.475 3276 T HA 0.078 4.429 4.350 0.003 0.000 0.310 3276 T C 0.859 175.564 174.700 0.007 0.000 0.963 3276 T CA -0.413 61.697 62.100 0.016 0.000 0.985 3276 T CB -0.151 68.728 68.868 0.019 0.000 1.198 3276 T HN 0.389 nan 8.240 nan 0.000 0.508 3277 T N 2.975 117.530 114.554 0.002 0.000 2.649 3277 T HA -0.066 4.286 4.350 0.003 0.000 0.268 3277 T C 1.192 175.885 174.700 -0.011 0.000 1.036 3277 T CA 2.205 64.302 62.100 -0.005 0.000 1.157 3277 T CB -0.475 68.388 68.868 -0.009 0.000 0.861 3277 T HN 0.926 nan 8.240 nan 0.000 0.445 3278 T N -2.705 111.838 114.554 -0.020 0.000 2.762 3278 T HA 0.501 4.853 4.350 0.003 0.000 0.301 3278 T C 0.940 175.616 174.700 -0.040 0.000 1.299 3278 T CA -0.289 61.790 62.100 -0.035 0.000 1.005 3278 T CB 1.597 70.425 68.868 -0.066 0.000 1.377 3278 T HN -0.167 nan 8.240 nan 0.000 0.504 3279 S N 0.400 116.070 115.700 -0.049 0.000 2.348 3279 S HA -0.013 4.458 4.470 0.003 0.000 0.221 3279 S C 2.550 177.095 174.600 -0.092 0.000 1.033 3279 S CA 1.491 59.679 58.200 -0.020 0.000 1.010 3279 S CB -1.107 62.139 63.200 0.076 0.000 0.891 3279 S HN 0.983 nan 8.310 nan 0.000 0.442 3280 A N 1.180 123.776 122.820 -0.374 0.000 1.927 3280 A HA -0.135 4.187 4.320 0.003 0.000 0.220 3280 A C 2.336 179.862 177.584 -0.096 0.000 1.185 3280 A CA 1.905 53.719 52.037 -0.371 0.000 0.639 3280 A CB -1.087 17.578 19.000 -0.558 0.000 0.820 3280 A HN 0.356 nan 8.150 nan 0.000 0.451 3281 V N -0.243 119.624 119.914 -0.078 0.000 2.343 3281 V HA -0.323 3.798 4.120 0.003 0.000 0.247 3281 V C 2.636 178.759 176.094 0.048 0.000 1.051 3281 V CA 2.228 64.527 62.300 -0.002 0.000 1.036 3281 V CB -0.680 31.134 31.823 -0.015 0.000 0.654 3281 V HN 0.586 nan 8.190 nan 0.000 0.451 3282 M N -0.611 119.011 119.600 0.037 0.000 2.067 3282 M HA -0.148 4.334 4.480 0.003 0.000 0.260 3282 M C 2.258 178.573 176.300 0.026 0.000 1.069 3282 M CA 1.713 57.043 55.300 0.051 0.000 1.117 3282 M CB -0.581 32.087 32.600 0.114 0.000 1.334 3282 M HN 0.248 nan 8.290 nan 0.000 0.407 3283 V N -0.324 119.635 119.914 0.075 0.000 2.332 3283 V HA -0.312 3.810 4.120 0.003 0.000 0.248 3283 V C 2.270 178.401 176.094 0.061 0.000 1.055 3283 V CA 2.477 64.801 62.300 0.041 0.000 1.038 3283 V CB -1.239 30.671 31.823 0.145 0.000 0.651 3283 V HN 0.502 nan 8.190 nan 0.000 0.450 3284 H N -0.500 118.576 119.070 0.010 0.000 2.321 3284 H HA -0.224 4.334 4.556 0.003 0.000 0.300 3284 H C 2.393 177.722 175.328 0.002 0.000 1.087 3284 H CA 2.369 58.424 56.048 0.013 0.000 1.319 3284 H CB -0.681 29.079 29.762 -0.003 0.000 1.379 3284 H HN 0.443 nan 8.280 nan 0.000 0.501 3285 c N 0.059 118.645 118.600 -0.024 0.000 2.413 3285 c HA -0.099 4.472 4.570 0.003 0.000 0.276 3285 c C 2.777 176.793 174.090 -0.123 0.000 1.248 3285 c CA 1.123 57.403 56.329 -0.082 0.000 1.742 3285 c CB -1.492 41.012 42.510 -0.011 0.000 2.017 3285 c HN 0.667 nan 8.230 nan 0.000 0.481 3286 L N -0.087 121.065 121.223 -0.117 0.000 2.156 3286 L HA -0.050 4.291 4.340 0.003 0.000 0.208 3286 L C 2.943 179.812 176.870 -0.003 0.000 1.095 3286 L CA 1.266 56.039 54.840 -0.111 0.000 0.770 3286 L CB -0.635 41.241 42.059 -0.306 0.000 0.914 3286 L HN 0.311 nan 8.230 nan 0.000 0.439 3287 R N -0.636 119.865 120.500 0.001 0.000 2.152 3287 R HA -0.143 4.198 4.340 0.003 0.000 0.232 3287 R C 2.348 178.567 176.300 -0.134 0.000 1.117 3287 R CA 0.850 56.920 56.100 -0.051 0.000 0.981 3287 R CB 0.027 30.293 30.300 -0.058 0.000 0.870 3287 R HN 0.390 nan 8.270 nan 0.000 0.451 3288 Q N 0.779 120.470 119.800 -0.183 0.000 2.049 3288 Q HA -0.023 4.319 4.340 0.003 0.000 0.198 3288 Q C 0.328 176.273 176.000 -0.092 0.000 0.971 3288 Q CA 0.915 56.625 55.803 -0.156 0.000 0.833 3288 Q CB -0.088 28.544 28.738 -0.176 0.000 0.896 3288 Q HN 0.038 nan 8.270 nan 0.000 0.434 3289 K N 2.374 122.726 120.400 -0.081 0.000 2.591 3289 K HA -0.039 4.283 4.320 0.003 0.000 0.280 3289 K C 0.600 177.182 176.600 -0.029 0.000 0.964 3289 K CA 0.378 56.633 56.287 -0.053 0.000 1.014 3289 K CB -0.194 32.268 32.500 -0.063 0.000 0.877 3289 K HN 0.362 nan 8.250 nan 0.000 0.502 3290 T N -2.179 112.372 114.554 -0.004 0.000 2.849 3290 T HA 0.066 4.418 4.350 0.003 0.000 0.284 3290 T C 1.330 176.078 174.700 0.079 0.000 1.004 3290 T CA -0.602 61.512 62.100 0.022 0.000 1.021 3290 T CB 1.294 70.172 68.868 0.017 0.000 1.013 3290 T HN 0.603 nan 8.240 nan 0.000 0.527 3291 E N 0.479 120.749 120.200 0.117 0.000 2.058 3291 E HA -0.256 4.095 4.350 0.003 0.000 0.194 3291 E C 1.708 178.444 176.600 0.227 0.000 0.997 3291 E CA 1.697 58.242 56.400 0.242 0.000 0.801 3291 E CB -0.127 29.640 29.700 0.111 0.000 0.746 3291 E HN 0.778 nan 8.360 nan 0.000 0.450 3292 E N 0.954 121.222 120.200 0.113 0.000 2.049 3292 E HA -0.229 4.123 4.350 0.003 0.000 0.198 3292 E C 1.955 178.615 176.600 0.100 0.000 1.007 3292 E CA 1.873 58.327 56.400 0.091 0.000 0.809 3292 E CB -0.217 29.511 29.700 0.045 0.000 0.749 3292 E HN 0.423 nan 8.360 nan 0.000 0.450 3293 E N 0.309 120.552 120.200 0.071 0.000 2.038 3293 E HA -0.189 4.162 4.350 0.003 0.000 0.195 3293 E C 2.249 178.879 176.600 0.050 0.000 1.000 3293 E CA 1.108 57.535 56.400 0.044 0.000 0.803 3293 E CB -0.352 29.356 29.700 0.014 0.000 0.750 3293 E HN 0.228 nan 8.360 nan 0.000 0.448 3294 L N 0.675 121.929 121.223 0.051 0.000 2.187 3294 L HA -0.188 4.153 4.340 0.003 0.000 0.213 3294 L C 2.574 179.496 176.870 0.086 0.000 1.100 3294 L CA 0.344 55.153 54.840 -0.051 0.000 0.765 3294 L CB -0.321 41.573 42.059 -0.275 0.000 0.904 3294 L HN 0.181 nan 8.230 nan 0.000 0.437 3295 L N -0.163 121.247 121.223 0.310 0.000 2.109 3295 L HA -0.153 4.189 4.340 0.003 0.000 0.207 3295 L C 2.343 179.332 176.870 0.198 0.000 1.086 3295 L CA 1.675 56.736 54.840 0.368 0.000 0.760 3295 L CB -0.436 41.791 42.059 0.280 0.000 0.910 3295 L HN 0.193 nan 8.230 nan 0.000 0.437 3296 E N -1.152 119.123 120.200 0.124 0.000 2.106 3296 E HA -0.174 4.178 4.350 0.003 0.000 0.192 3296 E C 1.887 178.529 176.600 0.069 0.000 0.984 3296 E CA 1.660 58.107 56.400 0.078 0.000 0.806 3296 E CB -0.180 29.549 29.700 0.048 0.000 0.750 3296 E HN 0.523 nan 8.360 nan 0.000 0.458 3297 T N 0.576 115.166 114.554 0.061 0.000 2.746 3297 T HA -0.130 4.221 4.350 0.003 0.000 0.267 3297 T C 2.018 176.791 174.700 0.121 0.000 1.039 3297 T CA 1.607 63.737 62.100 0.051 0.000 1.142 3297 T CB -0.400 68.472 68.868 0.006 0.000 0.866 3297 T HN 0.155 nan 8.240 nan 0.000 0.444 3298 T N 2.295 116.958 114.554 0.182 0.000 2.788 3298 T HA 0.041 4.393 4.350 0.003 0.000 0.268 3298 T C 1.931 176.842 174.700 0.351 0.000 1.044 3298 T CA 0.856 63.182 62.100 0.377 0.000 1.139 3298 T CB -0.374 68.713 68.868 0.364 0.000 0.867 3298 T HN 0.268 nan 8.240 nan 0.000 0.454 3299 L N 0.238 121.562 121.223 0.168 0.000 2.044 3299 L HA -0.001 4.341 4.340 0.003 0.000 0.205 3299 L C 2.662 179.499 176.870 -0.055 0.000 1.075 3299 L CA 1.204 56.083 54.840 0.066 0.000 0.747 3299 L CB -0.428 41.665 42.059 0.057 0.000 0.903 3299 L HN 0.135 nan 8.230 nan 0.000 0.435 3300 K N -0.197 120.180 120.400 -0.037 0.000 2.127 3300 K HA -0.209 4.112 4.320 0.003 0.000 0.208 3300 K C 2.083 178.571 176.600 -0.187 0.000 1.047 3300 K CA 1.442 57.682 56.287 -0.079 0.000 0.927 3300 K CB -0.149 32.328 32.500 -0.038 0.000 0.716 3300 K HN 0.237 nan 8.250 nan 0.000 0.450 3301 M N 0.970 120.399 119.600 -0.285 0.000 2.358 3301 M HA -0.065 4.416 4.480 0.003 0.000 0.264 3301 M C -0.037 175.714 176.300 -0.916 0.000 1.064 3301 M CA 1.003 55.940 55.300 -0.605 0.000 1.093 3301 M CB -0.817 31.410 32.600 -0.623 0.000 1.401 3301 M HN 0.054 nan 8.290 nan 0.000 0.440 3302 K N 0.340 120.270 120.400 -0.782 0.000 6.088 3302 K HA -0.214 4.108 4.320 0.003 0.000 0.624 3302 K C -0.507 175.655 176.600 -0.729 0.000 1.685 3302 K CA 0.284 56.257 56.287 -0.523 0.000 1.516 3302 K CB -0.839 31.496 32.500 -0.275 0.000 1.815 3302 K HN 0.154 nan 8.250 nan 0.000 0.319 3303 F N 0.802 120.765 119.950 0.021 0.000 2.071 3303 F HA 0.145 4.674 4.527 0.003 0.000 0.206 3303 F C 2.014 177.824 175.800 0.018 0.000 1.258 3303 F CA -0.583 57.429 58.000 0.020 0.000 1.283 3303 F CB -0.764 38.253 39.000 0.028 0.000 1.834 3303 F HN 0.332 nan 8.300 nan 0.000 0.216 3304 L N 1.030 122.431 121.223 0.296 0.000 2.149 3304 L HA -0.231 4.111 4.340 0.003 0.000 0.223 3304 L C 0.949 177.878 176.870 0.098 0.000 1.089 3304 L CA 1.427 56.356 54.840 0.149 0.000 0.800 3304 L CB -1.075 41.048 42.059 0.106 0.000 0.897 3304 L HN 0.149 nan 8.230 nan 0.000 0.443 3305 S N 0.533 116.273 115.700 0.067 0.000 2.571 3305 S HA 0.089 4.561 4.470 0.003 0.000 0.297 3305 S C -0.038 174.585 174.600 0.038 0.000 1.234 3305 S CA -0.336 57.885 58.200 0.035 0.000 1.120 3305 S CB -0.339 62.860 63.200 -0.002 0.000 0.923 3305 S HN 0.301 nan 8.310 nan 0.000 0.504 3306 L N 4.904 126.164 121.223 0.062 0.000 2.530 3306 L HA 0.181 4.523 4.340 0.003 0.000 0.273 3306 L C 0.135 177.009 176.870 0.006 0.000 1.141 3306 L CA -0.037 54.839 54.840 0.059 0.000 0.905 3306 L CB 0.090 42.219 42.059 0.117 0.000 1.202 3306 L HN 0.446 nan 8.230 nan 0.000 0.473 3307 D N 3.778 124.174 120.400 -0.006 0.000 2.389 3307 D HA 0.111 4.753 4.640 0.003 0.000 0.247 3307 D C 0.715 176.990 176.300 -0.042 0.000 1.128 3307 D CA 0.166 54.150 54.000 -0.028 0.000 0.884 3307 D CB 0.930 41.711 40.800 -0.032 0.000 1.194 3307 D HN 0.615 nan 8.370 nan 0.000 0.441 3308 L N 2.010 123.207 121.223 -0.044 0.000 2.362 3308 L HA 0.067 4.409 4.340 0.003 0.000 0.204 3308 L C 1.446 178.297 176.870 -0.033 0.000 1.060 3308 L CA -0.122 54.689 54.840 -0.048 0.000 0.827 3308 L CB -0.511 41.518 42.059 -0.051 0.000 1.027 3308 L HN 0.497 nan 8.230 nan 0.000 0.474 3309 Q N 1.300 121.086 119.800 -0.025 0.000 2.316 3309 Q HA 0.460 4.802 4.340 0.003 0.000 0.215 3309 Q C 0.434 176.424 176.000 -0.017 0.000 1.020 3309 Q CA 0.415 56.210 55.803 -0.012 0.000 0.970 3309 Q CB 0.855 29.587 28.738 -0.009 0.000 1.187 3309 Q HN 0.190 nan 8.270 nan 0.000 0.546 3310 G N 0.416 109.213 108.800 -0.005 0.000 2.693 3310 G HA2 -0.245 3.717 3.960 0.003 0.000 0.226 3310 G HA3 -0.245 3.717 3.960 0.003 0.000 0.226 3310 G C -1.117 173.778 174.900 -0.008 0.000 1.354 3310 G CA -0.046 45.049 45.100 -0.007 0.000 0.873 3310 G HN 0.871 nan 8.290 nan 0.000 0.562 3311 D N 0.800 121.188 120.400 -0.019 0.000 2.295 3311 D HA 0.418 5.060 4.640 0.003 0.000 0.248 3311 D C -0.949 175.271 176.300 -0.134 0.000 1.154 3311 D CA -1.535 52.447 54.000 -0.031 0.000 0.857 3311 D CB 1.446 42.238 40.800 -0.014 0.000 1.117 3311 D HN -0.007 nan 8.370 nan 0.000 0.468 3312 P HA -0.083 nan 4.420 nan 0.000 0.218 3312 P C 1.131 178.179 177.300 -0.420 0.000 1.148 3312 P CA 1.043 63.851 63.100 -0.487 0.000 0.822 3312 P CB 0.349 31.368 31.700 -1.134 0.000 0.784 3313 R N -0.528 119.669 120.500 -0.506 0.000 2.090 3313 R HA -0.048 4.293 4.340 0.003 0.000 0.228 3313 R C 2.214 178.449 176.300 -0.109 0.000 1.110 3313 R CA 0.940 56.793 56.100 -0.411 0.000 0.973 3313 R CB -0.416 29.612 30.300 -0.454 0.000 0.869 3313 R HN 0.295 nan 8.270 nan 0.000 0.440 3314 E N 0.543 120.687 120.200 -0.094 0.000 2.208 3314 E HA -0.010 4.341 4.350 0.003 0.000 0.193 3314 E C -0.115 176.474 176.600 -0.018 0.000 0.988 3314 E CA 0.344 56.722 56.400 -0.037 0.000 0.828 3314 E CB 0.205 29.887 29.700 -0.031 0.000 0.763 3314 E HN 0.093 nan 8.360 nan 0.000 0.478 3315 S N 2.019 117.699 115.700 -0.034 0.000 2.507 3315 S HA -0.022 4.450 4.470 0.003 0.000 0.299 3315 S C -0.020 174.594 174.600 0.023 0.000 1.214 3315 S CA 0.086 58.279 58.200 -0.012 0.000 1.137 3315 S CB 0.368 63.548 63.200 -0.033 0.000 1.009 3315 S HN 0.125 nan 8.310 nan 0.000 0.512 3316 Q N 5.430 125.255 119.800 0.042 0.000 2.360 3316 Q HA 0.301 4.642 4.340 0.003 0.000 0.254 3316 Q C -1.417 174.652 176.000 0.115 0.000 0.975 3316 Q CA -2.019 53.824 55.803 0.068 0.000 0.912 3316 Q CB 1.018 29.801 28.738 0.074 0.000 1.212 3316 Q HN 0.285 nan 8.270 nan 0.000 0.452 3317 P HA -0.005 nan 4.420 nan 0.000 0.222 3317 P C -0.074 177.318 177.300 0.153 0.000 1.153 3317 P CA 0.827 64.004 63.100 0.129 0.000 0.798 3317 P CB 0.386 32.119 31.700 0.056 0.000 0.796 3318 L N -3.543 117.715 121.223 0.058 0.000 2.834 3318 L HA 0.536 4.878 4.340 0.003 0.000 0.277 3318 L C -1.523 175.301 176.870 -0.077 0.000 0.944 3318 L CA -1.224 53.577 54.840 -0.066 0.000 1.065 3318 L CB 0.870 42.855 42.059 -0.123 0.000 1.623 3318 L HN -0.205 nan 8.230 nan 0.000 0.347 3319 L N -1.489 119.656 121.223 -0.131 0.000 2.409 3319 L HA 0.771 5.113 4.340 0.003 0.000 0.262 3319 L C -0.360 176.435 176.870 -0.124 0.000 1.346 3319 L CA -0.306 54.488 54.840 -0.077 0.000 0.848 3319 L CB 0.347 42.402 42.059 -0.007 0.000 1.006 3319 L HN 0.828 nan 8.230 nan 0.000 0.505 3320 G N 0.902 109.572 108.800 -0.216 0.000 3.022 3320 G HA2 0.431 4.393 3.960 0.003 0.000 0.157 3320 G HA3 0.431 4.393 3.960 0.003 0.000 0.157 3320 G C -0.161 174.625 174.900 -0.190 0.000 1.468 3320 G CA -0.322 44.511 45.100 -0.445 0.000 1.058 3320 G HN 0.370 nan 8.290 nan 0.000 0.581 3321 T N 0.210 114.683 114.554 -0.135 0.000 2.939 3321 T HA 0.368 4.720 4.350 0.003 0.000 0.319 3321 T C 0.315 175.031 174.700 0.027 0.000 1.082 3321 T CA 0.661 62.834 62.100 0.122 0.000 1.133 3321 T CB 0.793 69.741 68.868 0.134 0.000 1.019 3321 T HN 1.089 nan 8.240 nan 0.000 0.548 3322 V N -0.574 119.354 119.914 0.024 0.000 3.181 3322 V HA 0.550 4.671 4.120 0.003 0.000 0.308 3322 V C -0.641 175.417 176.094 -0.061 0.000 1.214 3322 V CA -1.343 60.931 62.300 -0.044 0.000 1.053 3322 V CB 1.964 33.742 31.823 -0.075 0.000 1.069 3322 V HN 0.628 nan 8.190 nan 0.000 0.441 3323 I N 3.522 124.048 120.570 -0.074 0.000 2.213 3323 I HA 0.199 4.370 4.170 0.003 0.000 0.295 3323 I C 1.240 177.307 176.117 -0.082 0.000 1.172 3323 I CA 0.132 61.386 61.300 -0.077 0.000 1.443 3323 I CB -0.590 37.367 38.000 -0.071 0.000 1.491 3323 I HN 0.975 nan 8.210 nan 0.000 0.652 3324 D N 3.479 123.823 120.400 -0.094 0.000 2.219 3324 D HA -0.130 4.512 4.640 0.003 0.000 0.205 3324 D C 1.445 177.697 176.300 -0.079 0.000 0.970 3324 D CA 1.260 55.196 54.000 -0.107 0.000 0.851 3324 D CB 0.215 40.926 40.800 -0.149 0.000 0.943 3324 D HN 0.634 nan 8.370 nan 0.000 0.488 3325 G N -0.418 108.341 108.800 -0.067 0.000 2.159 3325 G HA2 -0.239 3.723 3.960 0.003 0.000 0.227 3325 G HA3 -0.239 3.723 3.960 0.003 0.000 0.227 3325 G C 0.818 175.694 174.900 -0.040 0.000 0.986 3325 G CA 0.554 45.623 45.100 -0.051 0.000 0.651 3325 G HN 0.316 nan 8.290 nan 0.000 0.523 3326 M N -1.685 117.889 119.600 -0.045 0.000 2.741 3326 M HA 0.384 4.865 4.480 0.003 0.000 0.211 3326 M C 2.110 178.392 176.300 -0.031 0.000 1.811 3326 M CA 0.788 56.073 55.300 -0.025 0.000 1.185 3326 M CB -0.867 31.724 32.600 -0.014 0.000 1.320 3326 M HN 0.200 nan 8.290 nan 0.000 0.583 3327 L N 1.071 122.266 121.223 -0.046 0.000 2.072 3327 L HA 0.184 4.526 4.340 0.003 0.000 0.205 3327 L C 0.275 177.089 176.870 -0.093 0.000 1.079 3327 L CA 1.464 56.271 54.840 -0.056 0.000 0.752 3327 L CB 0.255 42.282 42.059 -0.054 0.000 0.906 3327 L HN 0.132 nan 8.230 nan 0.000 0.436 3328 L N -0.175 120.990 121.223 -0.096 0.000 2.381 3328 L HA 0.256 4.597 4.340 0.003 0.000 0.274 3328 L C 0.280 177.097 176.870 -0.089 0.000 0.988 3328 L CA -0.430 54.342 54.840 -0.113 0.000 0.824 3328 L CB 2.002 43.989 42.059 -0.121 0.000 1.263 3328 L HN 0.039 nan 8.230 nan 0.000 0.410 3329 L N 2.492 123.663 121.223 -0.087 0.000 2.509 3329 L HA 0.148 4.490 4.340 0.003 0.000 0.222 3329 L C 0.348 177.181 176.870 -0.062 0.000 1.123 3329 L CA 0.554 55.355 54.840 -0.065 0.000 0.856 3329 L CB -0.372 41.655 42.059 -0.053 0.000 0.985 3329 L HN 0.637 nan 8.230 nan 0.000 0.456 3330 K N -1.640 118.716 120.400 -0.073 0.000 2.685 3330 K HA 0.259 4.580 4.320 0.003 0.000 0.290 3330 K C -0.449 176.106 176.600 -0.075 0.000 1.018 3330 K CA -0.772 55.475 56.287 -0.065 0.000 0.860 3330 K CB 0.470 32.938 32.500 -0.053 0.000 1.498 3330 K HN -0.119 nan 8.250 nan 0.000 0.390 3331 T N -1.323 113.191 114.554 -0.067 0.000 2.934 3331 T HA 0.011 4.363 4.350 0.003 0.000 0.321 3331 T C -1.751 172.905 174.700 -0.074 0.000 1.080 3331 T CA -0.369 61.688 62.100 -0.071 0.000 1.132 3331 T CB 0.012 68.842 68.868 -0.064 0.000 1.039 3331 T HN 0.372 nan 8.240 nan 0.000 0.543 3332 P HA -0.111 nan 4.420 nan 0.000 0.216 3332 P C 1.404 178.671 177.300 -0.054 0.000 1.153 3332 P CA 1.246 64.299 63.100 -0.078 0.000 0.858 3332 P CB 0.044 31.696 31.700 -0.081 0.000 0.789 3333 E N 0.119 120.290 120.200 -0.049 0.000 2.021 3333 E HA -0.231 4.120 4.350 0.003 0.000 0.200 3333 E C 1.968 178.553 176.600 -0.024 0.000 1.015 3333 E CA 1.602 57.983 56.400 -0.032 0.000 0.824 3333 E CB -1.006 28.673 29.700 -0.036 0.000 0.762 3333 E HN 0.415 nan 8.360 nan 0.000 0.454 3334 E N 0.405 120.586 120.200 -0.032 0.000 2.085 3334 E HA -0.191 4.160 4.350 0.003 0.000 0.194 3334 E C 2.235 178.820 176.600 -0.025 0.000 0.994 3334 E CA 0.877 57.261 56.400 -0.026 0.000 0.801 3334 E CB -0.230 29.451 29.700 -0.032 0.000 0.743 3334 E HN 0.181 nan 8.360 nan 0.000 0.453 3335 L N 1.114 122.312 121.223 -0.041 0.000 2.012 3335 L HA -0.258 4.084 4.340 0.003 0.000 0.210 3335 L C 2.823 179.679 176.870 -0.024 0.000 1.073 3335 L CA 1.672 56.481 54.840 -0.051 0.000 0.748 3335 L CB -0.435 41.567 42.059 -0.095 0.000 0.891 3335 L HN 0.279 nan 8.230 nan 0.000 0.431 3336 Q N -0.630 119.164 119.800 -0.010 0.000 2.472 3336 Q HA -0.053 4.289 4.340 0.003 0.000 0.208 3336 Q C 1.740 177.760 176.000 0.034 0.000 0.958 3336 Q CA 0.920 56.740 55.803 0.027 0.000 0.932 3336 Q CB -0.092 28.671 28.738 0.041 0.000 1.007 3336 Q HN 0.410 nan 8.270 nan 0.000 0.508 3337 A N 1.200 124.031 122.820 0.019 0.000 2.206 3337 A HA -0.054 4.268 4.320 0.003 0.000 0.211 3337 A C 0.808 178.406 177.584 0.024 0.000 1.158 3337 A CA 0.426 52.476 52.037 0.021 0.000 0.761 3337 A CB -0.069 18.938 19.000 0.012 0.000 0.801 3337 A HN 0.497 nan 8.150 nan 0.000 0.473 3338 E N -0.363 119.853 120.200 0.027 0.000 2.221 3338 E HA 0.481 4.832 4.350 0.003 0.000 0.268 3338 E C -0.726 175.906 176.600 0.054 0.000 0.933 3338 E CA -0.750 55.671 56.400 0.034 0.000 0.809 3338 E CB 1.071 30.788 29.700 0.029 0.000 1.190 3338 E HN 0.117 nan 8.360 nan 0.000 0.406 3339 R N 1.954 122.486 120.500 0.054 0.000 2.613 3339 R HA 0.254 4.596 4.340 0.003 0.000 0.361 3339 R C -0.276 176.069 176.300 0.074 0.000 1.072 3339 R CA 0.029 56.166 56.100 0.062 0.000 1.089 3339 R CB -0.043 30.276 30.300 0.033 0.000 1.343 3339 R HN 0.435 nan 8.270 nan 0.000 0.571 3340 N N 0.647 119.403 118.700 0.093 0.000 3.052 3340 N HA 0.137 4.879 4.740 0.003 0.000 0.302 3340 N C -1.301 174.323 175.510 0.191 0.000 1.332 3340 N CA -0.078 53.030 53.050 0.096 0.000 1.129 3340 N CB 0.252 38.781 38.487 0.070 0.000 1.436 3340 N HN 0.038 nan 8.380 nan 0.000 0.536 3341 F N -0.368 119.588 119.950 0.010 0.000 2.645 3341 F HA 0.260 4.788 4.527 0.003 0.000 0.310 3341 F C -0.463 175.375 175.800 0.064 0.000 1.102 3341 F CA -1.330 56.687 58.000 0.028 0.000 0.952 3341 F CB 1.202 40.218 39.000 0.026 0.000 1.326 3341 F HN 0.077 nan 8.300 nan 0.000 0.456 3342 H N 2.824 121.085 119.070 -1.348 0.000 3.138 3342 H HA 0.266 4.823 4.556 0.002 0.000 0.275 3342 H C -0.450 174.477 175.328 -0.667 0.000 0.997 3342 H CA 0.330 55.807 56.048 -0.951 0.000 1.460 3342 H CB 0.390 29.530 29.762 -1.036 0.000 1.524 3342 H HN 0.647 nan 8.280 nan 0.000 0.532 3343 T N 2.816 117.270 114.554 -0.166 0.000 2.837 3343 T HA 0.481 4.833 4.350 0.003 0.000 0.285 3343 T C 0.171 174.798 174.700 -0.122 0.000 0.984 3343 T CA -0.781 61.270 62.100 -0.081 0.000 1.049 3343 T CB 1.526 70.340 68.868 -0.091 0.000 0.947 3343 T HN 0.373 nan 8.240 nan 0.000 0.472 3344 V N -0.763 119.144 119.914 -0.011 0.000 3.074 3344 V HA 0.769 4.890 4.120 0.003 0.000 0.314 3344 V C -3.144 173.100 176.094 0.250 0.000 1.117 3344 V CA -3.534 58.757 62.300 -0.016 0.000 1.014 3344 V CB 1.388 33.090 31.823 -0.202 0.000 1.057 3344 V HN 0.611 nan 8.190 nan 0.000 0.438 3345 P HA 0.158 nan 4.420 nan 0.000 0.262 3345 P C -1.443 176.217 177.300 0.600 0.000 1.199 3345 P CA 0.700 64.017 63.100 0.362 0.000 0.763 3345 P CB -0.262 31.476 31.700 0.065 0.000 0.790 3346 Y N 3.981 124.523 120.300 0.403 0.000 2.350 3346 Y HA 0.521 5.072 4.550 0.002 0.000 0.338 3346 Y C -0.513 175.384 175.900 -0.004 0.000 0.961 3346 Y CA -1.547 56.616 58.100 0.105 0.000 1.100 3346 Y CB 1.432 39.603 38.460 -0.483 0.000 1.179 3346 Y HN 0.203 nan 8.280 nan 0.000 0.454 3347 M N 7.838 127.377 119.600 -0.102 0.000 2.149 3347 M HA 0.508 4.990 4.480 0.003 0.000 0.342 3347 M C -2.112 173.900 176.300 -0.479 0.000 1.068 3347 M CA -0.714 54.309 55.300 -0.462 0.000 0.991 3347 M CB 0.842 32.910 32.600 -0.888 0.000 1.596 3347 M HN 0.444 nan 8.290 nan 0.000 0.439 3348 V N 4.949 124.554 119.914 -0.514 0.000 2.378 3348 V HA 0.808 4.929 4.120 0.003 0.000 0.288 3348 V C 0.331 176.124 176.094 -0.502 0.000 1.016 3348 V CA -0.561 61.419 62.300 -0.533 0.000 0.840 3348 V CB 1.184 32.617 31.823 -0.650 0.000 0.994 3348 V HN 1.000 nan 8.190 nan 0.000 0.431 3349 G N 4.138 112.564 108.800 -0.623 0.000 2.658 3349 G HA2 0.925 4.886 3.960 0.003 0.000 0.292 3349 G HA3 0.925 4.886 3.960 0.003 0.000 0.292 3349 G C -1.086 173.443 174.900 -0.617 0.000 1.320 3349 G CA -0.702 43.628 45.100 -1.284 0.000 0.933 3349 G HN 0.904 nan 8.290 nan 0.000 0.476 3350 I N -2.653 117.633 120.570 -0.473 0.000 3.279 3350 I HA 0.685 4.857 4.170 0.003 0.000 0.315 3350 I C -1.558 174.602 176.117 0.070 0.000 1.187 3350 I CA -1.413 59.819 61.300 -0.113 0.000 0.953 3350 I CB 2.524 40.478 38.000 -0.076 0.000 1.279 3350 I HN 0.270 nan 8.210 nan 0.000 0.465 3351 N N 1.459 120.214 118.700 0.092 0.000 2.335 3351 N HA 0.349 5.090 4.740 0.003 0.000 0.304 3351 N C 0.153 175.748 175.510 0.142 0.000 1.135 3351 N CA -0.829 52.345 53.050 0.207 0.000 0.817 3351 N CB 1.960 40.582 38.487 0.225 0.000 1.294 3351 N HN 0.652 nan 8.380 nan 0.000 0.497 3352 K N 0.783 121.285 120.400 0.169 0.000 2.052 3352 K HA -0.174 4.147 4.320 0.003 0.000 0.215 3352 K C -0.201 176.466 176.600 0.112 0.000 1.053 3352 K CA 1.937 58.297 56.287 0.122 0.000 0.934 3352 K CB 0.008 32.573 32.500 0.108 0.000 0.717 3352 K HN 0.596 nan 8.250 nan 0.000 0.450 3353 Q N 0.090 119.966 119.800 0.126 0.000 2.700 3353 Q HA 0.125 4.466 4.340 0.003 0.000 0.249 3353 Q C -0.189 175.886 176.000 0.125 0.000 1.033 3353 Q CA -0.393 55.489 55.803 0.131 0.000 0.804 3353 Q CB 1.644 30.465 28.738 0.139 0.000 1.164 3353 Q HN 0.155 nan 8.270 nan 0.000 0.500 3354 E N 0.561 120.803 120.200 0.070 0.000 2.077 3354 E HA -0.157 4.194 4.350 0.003 0.000 0.193 3354 E C 0.420 177.049 176.600 0.048 0.000 0.989 3354 E CA 1.227 57.602 56.400 -0.043 0.000 0.800 3354 E CB 0.159 29.621 29.700 -0.397 0.000 0.746 3354 E HN 0.508 nan 8.360 nan 0.000 0.452 3355 F N 0.593 120.525 119.950 -0.030 0.000 2.660 3355 F HA 0.206 4.735 4.527 0.003 0.000 0.297 3355 F C 1.805 177.618 175.800 0.023 0.000 1.132 3355 F CA -0.211 57.767 58.000 -0.038 0.000 1.372 3355 F CB 0.349 39.299 39.000 -0.083 0.000 1.003 3355 F HN -0.030 nan 8.300 nan 0.000 0.524 3356 G N 0.196 109.083 108.800 0.145 0.000 2.446 3356 G HA2 -0.310 3.651 3.960 0.003 0.000 0.217 3356 G HA3 -0.310 3.651 3.960 0.003 0.000 0.217 3356 G C 1.129 176.181 174.900 0.255 0.000 1.168 3356 G CA 1.642 46.857 45.100 0.192 0.000 0.771 3356 G HN 0.618 nan 8.290 nan 0.000 0.551 3357 W N -1.612 119.674 121.300 -0.023 0.000 5.465 3357 W HA 0.253 4.915 4.660 0.002 0.000 0.160 3357 W C 1.725 178.206 176.519 -0.064 0.000 1.373 3357 W CA 0.295 57.625 57.345 -0.025 0.000 1.891 3357 W CB -0.656 28.820 29.460 0.027 0.000 0.552 3357 W HN 0.051 nan 8.180 nan 0.000 1.112 3358 L N 2.255 123.399 121.223 -0.132 0.000 1.976 3358 L HA -0.249 4.093 4.340 0.003 0.000 0.223 3358 L C 2.143 178.723 176.870 -0.483 0.000 1.081 3358 L CA 3.212 57.817 54.840 -0.391 0.000 0.784 3358 L CB -1.226 40.893 42.059 0.100 0.000 0.896 3358 L HN 0.248 nan 8.230 nan 0.000 0.438 3359 I N -0.799 119.511 120.570 -0.433 0.000 2.099 3359 I HA -0.246 3.926 4.170 0.003 0.000 0.239 3359 I C -0.219 175.530 176.117 -0.613 0.000 1.066 3359 I CA 1.670 62.634 61.300 -0.559 0.000 1.324 3359 I CB -1.831 35.672 38.000 -0.827 0.000 1.037 3359 I HN 0.273 nan 8.210 nan 0.000 0.401 3360 P HA -0.194 nan 4.420 nan 0.000 0.215 3360 P C 1.144 178.301 177.300 -0.239 0.000 1.157 3360 P CA 1.254 64.058 63.100 -0.492 0.000 0.874 3360 P CB -0.087 31.371 31.700 -0.404 0.000 0.790 3364 M N -0.139 119.428 119.600 -0.054 0.000 2.502 3364 M HA 0.186 4.667 4.480 0.003 0.000 0.243 3364 M C 0.313 176.663 176.300 0.082 0.000 1.130 3364 M CA 0.353 55.682 55.300 0.048 0.000 1.055 3364 M CB 0.538 33.217 32.600 0.131 0.000 1.457 3364 M HN 0.219 nan 8.290 nan 0.000 0.488 3365 S N -0.028 115.708 115.700 0.060 0.000 3.968 3365 S HA -0.160 4.311 4.470 0.003 0.000 0.373 3365 S C -0.538 174.135 174.600 0.121 0.000 0.974 3365 S CA -0.026 58.213 58.200 0.064 0.000 1.124 3365 S CB -2.159 61.060 63.200 0.032 0.000 0.862 3365 S HN 0.484 nan 8.310 nan 0.000 0.492 3366 Y N 1.716 122.029 120.300 0.021 0.000 2.442 3366 Y HA 0.276 4.827 4.550 0.003 0.000 0.330 3366 Y C -1.022 174.929 175.900 0.085 0.000 1.129 3366 Y CA -1.127 57.022 58.100 0.081 0.000 1.365 3366 Y CB 0.530 39.064 38.460 0.123 0.000 1.233 3366 Y HN 0.098 nan 8.280 nan 0.000 0.529 3367 P HA -0.108 nan 4.420 nan 0.000 0.229 3367 P C 0.511 177.861 177.300 0.083 0.000 1.150 3367 P CA 1.137 64.228 63.100 -0.014 0.000 0.765 3367 P CB 0.080 31.716 31.700 -0.106 0.000 0.783 3368 L N -0.151 121.201 121.223 0.215 0.000 2.933 3368 L HA 0.010 4.351 4.340 0.003 0.000 0.258 3368 L C 1.188 178.174 176.870 0.193 0.000 1.253 3368 L CA 0.285 55.272 54.840 0.245 0.000 1.096 3368 L CB -0.928 41.373 42.059 0.403 0.000 1.432 3368 L HN 0.083 nan 8.230 nan 0.000 0.418 3369 S N -2.487 113.298 115.700 0.142 0.000 2.743 3369 S HA 0.070 4.542 4.470 0.003 0.000 0.230 3369 S C 1.089 175.748 174.600 0.098 0.000 0.950 3369 S CA -0.269 58.005 58.200 0.124 0.000 0.976 3369 S CB -0.011 63.251 63.200 0.103 0.000 0.779 3369 S HN 0.378 nan 8.310 nan 0.000 0.487 3370 E N 0.939 121.196 120.200 0.096 0.000 2.431 3370 E HA 0.214 4.565 4.350 0.003 0.000 0.200 3370 E C 1.381 178.028 176.600 0.078 0.000 0.995 3370 E CA 0.530 56.974 56.400 0.074 0.000 0.915 3370 E CB -0.193 29.543 29.700 0.059 0.000 0.930 3370 E HN 0.660 nan 8.360 nan 0.000 0.496 3371 G N 2.531 111.392 108.800 0.101 0.000 2.179 3371 G HA2 -0.296 3.665 3.960 0.003 0.000 0.257 3371 G HA3 -0.296 3.665 3.960 0.003 0.000 0.257 3371 G C 0.084 175.037 174.900 0.089 0.000 1.010 3371 G CA 1.008 46.167 45.100 0.099 0.000 0.736 3371 G HN 0.373 nan 8.290 nan 0.000 0.513 3372 Q N -2.694 117.160 119.800 0.089 0.000 2.791 3372 Q HA 0.763 5.104 4.340 0.003 0.000 0.280 3372 Q C -1.824 174.211 176.000 0.059 0.000 0.928 3372 Q CA -1.261 54.587 55.803 0.074 0.000 0.819 3372 Q CB 1.150 29.921 28.738 0.055 0.000 1.552 3372 Q HN 0.807 nan 8.270 nan 0.000 0.410 3373 L N 0.880 122.129 121.223 0.044 0.000 2.765 3373 L HA 0.631 4.973 4.340 0.003 0.000 0.263 3373 L C -2.055 174.815 176.870 -0.000 0.000 1.068 3373 L CA -0.102 54.741 54.840 0.004 0.000 0.903 3373 L CB 2.349 44.386 42.059 -0.036 0.000 1.512 3373 L HN 0.939 nan 8.230 nan 0.000 0.404 3374 D N 0.222 120.607 120.400 -0.026 0.000 2.547 3374 D HA 0.222 4.864 4.640 0.003 0.000 0.231 3374 D C -0.226 176.058 176.300 -0.026 0.000 1.099 3374 D CA -0.513 53.480 54.000 -0.012 0.000 0.901 3374 D CB 1.523 42.320 40.800 -0.005 0.000 1.478 3374 D HN 0.483 nan 8.370 nan 0.000 0.471 3375 Q N 0.379 120.178 119.800 -0.001 0.000 2.197 3375 Q HA -0.208 4.134 4.340 0.003 0.000 0.211 3375 Q C 1.513 177.510 176.000 -0.005 0.000 0.993 3375 Q CA 1.750 57.558 55.803 0.007 0.000 0.883 3375 Q CB -0.041 28.709 28.738 0.020 0.000 0.916 3375 Q HN 0.531 nan 8.270 nan 0.000 0.418 3376 K N -0.672 119.721 120.400 -0.011 0.000 2.044 3376 K HA -0.013 4.308 4.320 0.003 0.000 0.204 3376 K C 2.140 178.727 176.600 -0.023 0.000 1.049 3376 K CA 1.274 57.555 56.287 -0.011 0.000 0.945 3376 K CB 0.005 32.501 32.500 -0.007 0.000 0.724 3376 K HN 0.073 nan 8.250 nan 0.000 0.440 3377 T N 1.255 115.784 114.554 -0.042 0.000 2.962 3377 T HA -0.063 4.288 4.350 0.003 0.000 0.270 3377 T C 1.820 176.443 174.700 -0.129 0.000 1.088 3377 T CA 1.021 63.083 62.100 -0.063 0.000 1.127 3377 T CB -0.092 68.738 68.868 -0.063 0.000 0.883 3377 T HN 0.281 nan 8.240 nan 0.000 0.493 3378 A N 1.690 124.407 122.820 -0.172 0.000 1.841 3378 A HA -0.010 4.311 4.320 0.003 0.000 0.214 3378 A C 2.294 179.812 177.584 -0.111 0.000 1.195 3378 A CA 1.328 53.166 52.037 -0.331 0.000 0.611 3378 A CB -0.666 18.195 19.000 -0.232 0.000 0.835 3378 A HN 0.424 nan 8.150 nan 0.000 0.443 3379 M N -0.531 119.079 119.600 0.016 0.000 2.149 3379 M HA -0.155 4.327 4.480 0.003 0.000 0.261 3379 M C 2.512 178.907 176.300 0.158 0.000 1.064 3379 M CA 1.734 57.100 55.300 0.110 0.000 1.102 3379 M CB -0.323 32.318 32.600 0.068 0.000 1.369 3379 M HN 0.540 nan 8.290 nan 0.000 0.408 3380 S N 0.667 116.424 115.700 0.096 0.000 2.355 3380 S HA -0.094 4.377 4.470 0.003 0.000 0.222 3380 S C 1.807 176.510 174.600 0.171 0.000 1.031 3380 S CA 1.024 59.308 58.200 0.140 0.000 0.993 3380 S CB -0.171 63.067 63.200 0.064 0.000 0.859 3380 S HN 0.441 nan 8.310 nan 0.000 0.453 3381 L N 0.602 121.872 121.223 0.077 0.000 2.056 3381 L HA -0.054 4.287 4.340 0.003 0.000 0.207 3381 L C 2.448 179.500 176.870 0.303 0.000 1.078 3381 L CA 1.107 56.005 54.840 0.096 0.000 0.749 3381 L CB -0.360 41.667 42.059 -0.053 0.000 0.901 3381 L HN 0.376 nan 8.230 nan 0.000 0.433 3382 L N -0.635 120.836 121.223 0.413 0.000 2.046 3382 L HA -0.288 4.054 4.340 0.003 0.000 0.208 3382 L C 2.167 179.287 176.870 0.417 0.000 1.077 3382 L CA 1.864 57.005 54.840 0.502 0.000 0.747 3382 L CB -0.813 41.555 42.059 0.515 0.000 0.896 3382 L HN 0.397 nan 8.230 nan 0.000 0.432 3383 W N 0.677 122.090 121.300 0.189 0.000 2.355 3383 W HA -0.263 4.398 4.660 0.003 0.000 0.309 3383 W C 2.049 178.667 176.519 0.165 0.000 1.206 3383 W CA 1.476 58.920 57.345 0.166 0.000 1.284 3383 W CB 0.038 29.557 29.460 0.099 0.000 1.145 3383 W HN 0.141 nan 8.180 nan 0.000 0.502 3384 K N 0.245 120.646 120.400 0.002 0.000 2.442 3384 K HA -0.065 4.257 4.320 0.003 0.000 0.198 3384 K C 1.678 178.244 176.600 -0.056 0.000 1.042 3384 K CA 1.234 57.439 56.287 -0.137 0.000 0.958 3384 K CB -0.165 32.312 32.500 -0.038 0.000 0.766 3384 K HN -0.085 nan 8.250 nan 0.000 0.474 3385 S N 0.261 116.001 115.700 0.066 0.000 2.605 3385 S HA -0.006 4.465 4.470 0.003 0.000 0.217 3385 S C 1.022 175.648 174.600 0.043 0.000 0.958 3385 S CA -0.322 57.946 58.200 0.114 0.000 0.919 3385 S CB -0.221 63.111 63.200 0.221 0.000 0.780 3385 S HN 0.330 nan 8.310 nan 0.000 0.507 3386 Y N 4.048 124.249 120.300 -0.164 0.000 2.139 3386 Y HA -0.154 4.398 4.550 0.003 0.000 0.282 3386 Y C -0.832 174.985 175.900 -0.138 0.000 1.179 3386 Y CA 1.791 59.772 58.100 -0.200 0.000 1.161 3386 Y CB -0.982 37.169 38.460 -0.514 0.000 0.970 3386 Y HN 0.255 nan 8.280 nan 0.000 0.511 3387 P HA -0.118 nan 4.420 nan 0.000 0.230 3387 P C 0.952 178.176 177.300 -0.126 0.000 1.158 3387 P CA 1.501 64.553 63.100 -0.080 0.000 0.769 3387 P CB 0.015 31.720 31.700 0.008 0.000 0.807 3388 L N -1.041 120.115 121.223 -0.111 0.000 2.638 3388 L HA 0.103 4.445 4.340 0.003 0.000 0.232 3388 L C 2.072 178.827 176.870 -0.193 0.000 1.099 3388 L CA 0.240 55.013 54.840 -0.112 0.000 0.883 3388 L CB 0.328 42.378 42.059 -0.015 0.000 1.136 3388 L HN -0.147 nan 8.230 nan 0.000 0.492 3389 V N -6.794 112.990 119.914 -0.217 0.000 3.480 3389 V HA 0.162 4.283 4.120 0.003 0.000 0.263 3389 V C 1.067 177.020 176.094 -0.236 0.000 1.442 3389 V CA -0.434 61.733 62.300 -0.222 0.000 1.053 3389 V CB 0.210 31.939 31.823 -0.157 0.000 0.846 3389 V HN 0.287 nan 8.190 nan 0.000 0.440 3390 C N 2.022 121.044 119.300 -0.463 0.000 3.896 3390 C HA -0.156 4.306 4.460 0.003 0.000 0.300 3390 C C 0.422 175.239 174.990 -0.288 0.000 1.322 3390 C CA 0.315 58.859 59.018 -0.790 0.000 2.130 3390 C CB -2.916 24.468 27.740 -0.592 0.000 1.363 3390 C HN 0.640 nan 8.230 nan 0.000 0.642 3391 I N 0.988 121.589 120.570 0.051 0.000 2.377 3391 I HA 0.554 4.725 4.170 0.003 0.000 0.293 3391 I C 0.862 177.347 176.117 0.613 0.000 0.987 3391 I CA -0.207 61.332 61.300 0.399 0.000 1.185 3391 I CB 1.374 39.642 38.000 0.446 0.000 1.341 3391 I HN 0.491 nan 8.210 nan 0.000 0.455 3392 A N 5.445 128.558 122.820 0.488 0.000 2.483 3392 A HA 0.084 4.406 4.320 0.003 0.000 0.238 3392 A C 1.148 178.910 177.584 0.297 0.000 1.070 3392 A CA -0.107 52.184 52.037 0.424 0.000 0.770 3392 A CB 0.200 19.344 19.000 0.240 0.000 1.008 3392 A HN 0.899 nan 8.150 nan 0.000 0.497 3393 K N 0.338 120.739 120.400 0.002 0.000 2.555 3393 K HA -0.085 4.236 4.320 0.003 0.000 0.193 3393 K C 1.256 177.749 176.600 -0.180 0.000 1.032 3393 K CA 1.383 57.446 56.287 -0.372 0.000 1.004 3393 K CB 0.028 31.782 32.500 -1.243 0.000 0.804 3393 K HN 0.879 nan 8.250 nan 0.000 0.496 3394 E N -0.164 120.003 120.200 -0.056 0.000 2.447 3394 E HA -0.069 4.282 4.350 0.003 0.000 0.195 3394 E C 1.378 177.992 176.600 0.023 0.000 1.028 3394 E CA 0.277 56.660 56.400 -0.027 0.000 0.876 3394 E CB 0.131 29.826 29.700 -0.009 0.000 0.885 3394 E HN 0.295 nan 8.360 nan 0.000 0.500 3395 L N 0.341 121.609 121.223 0.077 0.000 2.425 3395 L HA 0.102 4.443 4.340 0.003 0.000 0.215 3395 L C 2.290 179.224 176.870 0.107 0.000 1.065 3395 L CA -0.238 54.659 54.840 0.095 0.000 0.842 3395 L CB -0.235 41.917 42.059 0.155 0.000 1.033 3395 L HN 0.005 nan 8.230 nan 0.000 0.474 3396 I N 1.241 121.898 120.570 0.145 0.000 2.121 3396 I HA -0.259 3.913 4.170 0.003 0.000 0.243 3396 I C -0.022 176.168 176.117 0.122 0.000 1.047 3396 I CA 2.351 63.755 61.300 0.174 0.000 1.308 3396 I CB -2.381 35.723 38.000 0.174 0.000 1.015 3396 I HN 0.193 nan 8.210 nan 0.000 0.410 3397 P HA -0.177 nan 4.420 nan 0.000 0.215 3397 P C 1.763 179.100 177.300 0.061 0.000 1.157 3397 P CA 1.533 64.665 63.100 0.053 0.000 0.868 3397 P CB -0.055 31.657 31.700 0.021 0.000 0.788 3398 E N -0.529 119.705 120.200 0.056 0.000 2.077 3398 E HA -0.189 4.162 4.350 0.003 0.000 0.193 3398 E C 1.921 178.572 176.600 0.085 0.000 0.989 3398 E CA 1.181 57.617 56.400 0.059 0.000 0.800 3398 E CB -0.451 29.278 29.700 0.048 0.000 0.746 3398 E HN 0.051 nan 8.360 nan 0.000 0.452 3399 A N 0.219 123.085 122.820 0.076 0.000 1.873 3399 A HA -0.147 4.174 4.320 0.003 0.000 0.215 3399 A C 2.379 180.034 177.584 0.117 0.000 1.186 3399 A CA 1.933 54.002 52.037 0.053 0.000 0.616 3399 A CB -0.932 18.085 19.000 0.028 0.000 0.823 3399 A HN 0.302 nan 8.150 nan 0.000 0.442 3400 T N -0.256 114.386 114.554 0.147 0.000 2.759 3400 T HA -0.150 4.202 4.350 0.003 0.000 0.269 3400 T C 1.892 176.680 174.700 0.147 0.000 1.042 3400 T CA 1.762 63.968 62.100 0.176 0.000 1.140 3400 T CB -0.211 68.748 68.868 0.153 0.000 0.864 3400 T HN 0.641 nan 8.240 nan 0.000 0.455 3401 E N 1.820 122.077 120.200 0.095 0.000 2.031 3401 E HA -0.140 4.212 4.350 0.003 0.000 0.193 3401 E C 2.080 178.699 176.600 0.030 0.000 0.994 3401 E CA 1.483 57.916 56.400 0.055 0.000 0.800 3401 E CB -0.315 29.403 29.700 0.031 0.000 0.752 3401 E HN 0.270 nan 8.360 nan 0.000 0.447 3402 K N -0.925 119.469 120.400 -0.009 0.000 2.211 3402 K HA -0.150 4.171 4.320 0.003 0.000 0.204 3402 K C 1.648 178.207 176.600 -0.069 0.000 1.047 3402 K CA 1.464 57.661 56.287 -0.149 0.000 0.935 3402 K CB -0.511 31.681 32.500 -0.513 0.000 0.728 3402 K HN 0.271 nan 8.250 nan 0.000 0.452 3403 Y N -0.560 119.688 120.300 -0.087 0.000 2.396 3403 Y HA 0.226 4.777 4.550 0.003 0.000 0.292 3403 Y C 1.741 177.664 175.900 0.039 0.000 1.128 3403 Y CA 0.691 58.790 58.100 -0.002 0.000 1.194 3403 Y CB 0.248 38.764 38.460 0.093 0.000 1.124 3403 Y HN -0.107 nan 8.280 nan 0.000 0.543 3404 L N -1.775 119.577 121.223 0.216 0.000 2.298 3404 L HA 0.146 4.487 4.340 0.003 0.000 0.209 3404 L C 2.344 179.259 176.870 0.075 0.000 1.084 3404 L CA 0.793 55.721 54.840 0.147 0.000 0.816 3404 L CB -0.805 41.345 42.059 0.152 0.000 0.967 3404 L HN 0.200 nan 8.230 nan 0.000 0.460 3405 G N 0.273 109.104 108.800 0.052 0.000 2.615 3405 G HA2 -0.134 3.827 3.960 0.003 0.000 0.213 3405 G HA3 -0.134 3.827 3.960 0.003 0.000 0.213 3405 G C 1.413 176.317 174.900 0.005 0.000 1.135 3405 G CA 0.697 45.810 45.100 0.021 0.000 0.772 3405 G HN 0.460 nan 8.290 nan 0.000 0.542 3406 G N 0.302 109.104 108.800 0.004 0.000 2.575 3406 G HA2 0.118 4.080 3.960 0.003 0.000 0.215 3406 G HA3 0.118 4.080 3.960 0.003 0.000 0.215 3406 G C 1.121 176.022 174.900 0.002 0.000 1.262 3406 G CA 1.567 46.661 45.100 -0.010 0.000 0.807 3406 G HN 0.696 nan 8.290 nan 0.000 0.567 3407 T N -3.309 111.254 114.554 0.015 0.000 2.870 3407 T HA 0.530 4.882 4.350 0.003 0.000 0.277 3407 T C 0.178 174.892 174.700 0.023 0.000 1.000 3407 T CA -0.263 61.847 62.100 0.017 0.000 0.982 3407 T CB 2.067 70.948 68.868 0.021 0.000 1.249 3407 T HN 0.020 nan 8.240 nan 0.000 0.589 3408 D N -0.699 119.714 120.400 0.021 0.000 2.423 3408 D HA 0.073 4.714 4.640 0.003 0.000 0.208 3408 D C 0.026 176.342 176.300 0.026 0.000 1.068 3408 D CA 0.015 54.028 54.000 0.022 0.000 0.860 3408 D CB 0.127 40.936 40.800 0.015 0.000 0.992 3408 D HN 0.608 nan 8.370 nan 0.000 0.504 3409 D N 2.299 122.716 120.400 0.028 0.000 2.383 3409 D HA -0.071 4.571 4.640 0.003 0.000 0.275 3409 D C 1.564 177.889 176.300 0.041 0.000 1.344 3409 D CA 0.318 54.337 54.000 0.032 0.000 0.984 3409 D CB 0.817 41.636 40.800 0.033 0.000 1.104 3409 D HN 0.069 nan 8.370 nan 0.000 0.524 3410 T N 0.529 115.106 114.554 0.038 0.000 2.822 3410 T HA -0.189 4.162 4.350 0.003 0.000 0.270 3410 T C 1.919 176.654 174.700 0.059 0.000 1.064 3410 T CA 1.201 63.327 62.100 0.043 0.000 1.131 3410 T CB -0.239 68.649 68.868 0.034 0.000 0.858 3410 T HN 0.228 nan 8.240 nan 0.000 0.483 3411 V N 1.512 121.461 119.914 0.059 0.000 2.379 3411 V HA -0.069 4.052 4.120 0.003 0.000 0.245 3411 V C 2.772 178.918 176.094 0.087 0.000 1.044 3411 V CA 1.638 63.981 62.300 0.072 0.000 1.036 3411 V CB -0.506 31.353 31.823 0.059 0.000 0.664 3411 V HN 0.508 nan 8.190 nan 0.000 0.453 3412 K N 0.218 120.664 120.400 0.075 0.000 2.097 3412 K HA -0.185 4.136 4.320 0.003 0.000 0.206 3412 K C 2.211 178.879 176.600 0.114 0.000 1.049 3412 K CA 1.361 57.698 56.287 0.083 0.000 0.933 3412 K CB -0.213 32.324 32.500 0.062 0.000 0.717 3412 K HN 0.425 nan 8.250 nan 0.000 0.442 3413 K N 1.098 121.564 120.400 0.111 0.000 2.057 3413 K HA -0.161 4.160 4.320 0.003 0.000 0.207 3413 K C 2.190 178.911 176.600 0.203 0.000 1.049 3413 K CA 1.106 57.478 56.287 0.142 0.000 0.931 3413 K CB -0.067 32.493 32.500 0.099 0.000 0.714 3413 K HN 0.065 nan 8.250 nan 0.000 0.440 3414 K N 1.262 121.768 120.400 0.176 0.000 2.063 3414 K HA -0.213 4.109 4.320 0.003 0.000 0.208 3414 K C 1.374 178.146 176.600 0.287 0.000 1.048 3414 K CA 1.876 58.303 56.287 0.235 0.000 0.928 3414 K CB -0.029 32.581 32.500 0.183 0.000 0.713 3414 K HN 0.103 nan 8.250 nan 0.000 0.442 3415 D N 0.833 121.362 120.400 0.215 0.000 2.144 3415 D HA -0.119 4.522 4.640 0.003 0.000 0.200 3415 D C 2.092 178.524 176.300 0.219 0.000 0.978 3415 D CA 0.812 54.931 54.000 0.199 0.000 0.833 3415 D CB -0.075 40.813 40.800 0.146 0.000 0.961 3415 D HN 0.243 nan 8.370 nan 0.000 0.470 3416 L N -0.061 121.302 121.223 0.233 0.000 2.093 3416 L HA -0.136 4.206 4.340 0.003 0.000 0.208 3416 L C 2.355 179.441 176.870 0.359 0.000 1.085 3416 L CA 0.520 55.525 54.840 0.275 0.000 0.755 3416 L CB -0.314 41.892 42.059 0.245 0.000 0.904 3416 L HN -0.041 nan 8.230 nan 0.000 0.435 3417 F N 0.733 120.794 119.950 0.185 0.000 2.134 3417 F HA -0.217 4.312 4.527 0.003 0.000 0.299 3417 F C 2.128 177.989 175.800 0.101 0.000 1.097 3417 F CA 1.447 59.535 58.000 0.146 0.000 1.264 3417 F CB -0.222 38.867 39.000 0.148 0.000 1.001 3417 F HN -0.112 nan 8.300 nan 0.000 0.479 3418 L N -0.199 121.077 121.223 0.088 0.000 1.994 3418 L HA -0.243 4.099 4.340 0.003 0.000 0.208 3418 L C 2.279 179.125 176.870 -0.040 0.000 1.071 3418 L CA 1.680 56.516 54.840 -0.006 0.000 0.745 3418 L CB -1.043 41.141 42.059 0.209 0.000 0.892 3418 L HN 0.065 nan 8.230 nan 0.000 0.431 3419 D N 0.228 120.694 120.400 0.111 0.000 2.190 3419 D HA -0.208 4.433 4.640 0.003 0.000 0.200 3419 D C 2.183 178.569 176.300 0.143 0.000 0.992 3419 D CA 1.020 55.123 54.000 0.172 0.000 0.854 3419 D CB -0.110 40.846 40.800 0.261 0.000 0.936 3419 D HN 0.170 nan 8.370 nan 0.000 0.462 3420 L N 1.322 122.551 121.223 0.011 0.000 1.971 3420 L HA -0.190 4.152 4.340 0.003 0.000 0.215 3420 L C 2.329 178.947 176.870 -0.420 0.000 1.072 3420 L CA 1.557 56.160 54.840 -0.396 0.000 0.758 3420 L CB -0.918 40.859 42.059 -0.470 0.000 0.889 3420 L HN 0.015 nan 8.230 nan 0.000 0.433 3421 I N 0.195 120.420 120.570 -0.574 0.000 2.226 3421 I HA -0.249 3.922 4.170 0.003 0.000 0.245 3421 I C 2.753 178.604 176.117 -0.443 0.000 1.100 3421 I CA 1.087 61.969 61.300 -0.696 0.000 1.374 3421 I CB -0.535 36.713 38.000 -1.253 0.000 1.057 3421 I HN 0.314 nan 8.210 nan 0.000 0.413 3422 A N 0.392 123.079 122.820 -0.222 0.000 1.978 3422 A HA -0.237 4.085 4.320 0.003 0.000 0.220 3422 A C 1.913 179.561 177.584 0.108 0.000 1.170 3422 A CA 2.026 54.129 52.037 0.109 0.000 0.636 3422 A CB -0.481 18.608 19.000 0.148 0.000 0.810 3422 A HN 0.372 nan 8.150 nan 0.000 0.448 3423 D N -0.578 119.803 120.400 -0.031 0.000 2.162 3423 D HA -0.030 4.612 4.640 0.003 0.000 0.203 3423 D C 2.056 178.183 176.300 -0.288 0.000 0.967 3423 D CA 1.289 55.255 54.000 -0.055 0.000 0.840 3423 D CB -0.160 40.692 40.800 0.087 0.000 0.972 3423 D HN 0.266 nan 8.370 nan 0.000 0.482 3424 V N 1.076 120.673 119.914 -0.528 0.000 2.453 3424 V HA -0.142 3.980 4.120 0.003 0.000 0.247 3424 V C 2.451 178.287 176.094 -0.431 0.000 1.048 3424 V CA 1.060 62.951 62.300 -0.682 0.000 1.049 3424 V CB -0.308 30.999 31.823 -0.860 0.000 0.672 3424 V HN 0.178 nan 8.190 nan 0.000 0.457 3425 M N -1.341 118.024 119.600 -0.392 0.000 2.193 3425 M HA 0.061 4.543 4.480 0.003 0.000 0.265 3425 M C 1.888 177.752 176.300 -0.727 0.000 1.071 3425 M CA 2.040 56.980 55.300 -0.599 0.000 1.140 3425 M CB -0.168 31.971 32.600 -0.768 0.000 1.369 3425 M HN 0.404 nan 8.290 nan 0.000 0.423 3426 F N -1.447 118.443 119.950 -0.100 0.000 2.495 3426 F HA 0.369 4.897 4.527 0.003 0.000 0.272 3426 F C 2.399 178.149 175.800 -0.084 0.000 0.919 3426 F CA 0.157 58.120 58.000 -0.062 0.000 1.178 3426 F CB -1.539 37.462 39.000 0.002 0.000 1.030 3426 F HN 0.058 nan 8.300 nan 0.000 0.777 3427 G N 1.614 110.514 108.800 0.167 0.000 2.764 3427 G HA2 -0.288 3.674 3.960 0.003 0.000 0.219 3427 G HA3 -0.288 3.674 3.960 0.003 0.000 0.219 3427 G C 1.676 176.573 174.900 -0.004 0.000 1.259 3427 G CA 2.521 47.654 45.100 0.055 0.000 0.793 3427 G HN 0.193 nan 8.290 nan 0.000 0.633 3428 V N 2.300 122.191 119.914 -0.039 0.000 2.261 3428 V HA -0.107 4.014 4.120 0.003 0.000 0.246 3428 V C 0.476 176.546 176.094 -0.040 0.000 1.047 3428 V CA 2.315 64.597 62.300 -0.031 0.000 1.015 3428 V CB -1.440 30.343 31.823 -0.067 0.000 0.642 3428 V HN 0.307 nan 8.190 nan 0.000 0.446 3429 P HA -0.156 nan 4.420 nan 0.000 0.215 3429 P C 2.073 179.333 177.300 -0.066 0.000 1.163 3429 P CA 2.172 65.232 63.100 -0.067 0.000 0.894 3429 P CB -0.149 31.488 31.700 -0.105 0.000 0.791 3430 S N -0.631 115.026 115.700 -0.070 0.000 2.369 3430 S HA -0.163 4.308 4.470 0.003 0.000 0.225 3430 S C 2.027 176.527 174.600 -0.167 0.000 1.043 3430 S CA 1.751 59.879 58.200 -0.120 0.000 1.074 3430 S CB -1.470 61.660 63.200 -0.116 0.000 0.962 3430 S HN -0.063 nan 8.310 nan 0.000 0.433 3431 V N 2.110 121.945 119.914 -0.133 0.000 2.332 3431 V HA -0.189 3.932 4.120 0.003 0.000 0.248 3431 V C 2.075 178.122 176.094 -0.079 0.000 1.055 3431 V CA 1.596 63.816 62.300 -0.133 0.000 1.038 3431 V CB -0.754 31.051 31.823 -0.031 0.000 0.651 3431 V HN 0.447 nan 8.190 nan 0.000 0.450 3432 I N -0.498 120.054 120.570 -0.030 0.000 2.179 3432 I HA -0.229 3.943 4.170 0.003 0.000 0.242 3432 I C 2.441 178.554 176.117 -0.007 0.000 1.088 3432 I CA 1.351 62.655 61.300 0.007 0.000 1.357 3432 I CB -0.506 37.505 38.000 0.018 0.000 1.051 3432 I HN 0.155 nan 8.210 nan 0.000 0.409 3433 V N 1.257 121.147 119.914 -0.039 0.000 2.252 3433 V HA -0.365 3.757 4.120 0.003 0.000 0.249 3433 V C 2.785 178.858 176.094 -0.035 0.000 1.056 3433 V CA 2.229 64.517 62.300 -0.020 0.000 1.022 3433 V CB -1.086 30.710 31.823 -0.045 0.000 0.641 3433 V HN 0.533 nan 8.190 nan 0.000 0.445 3434 A N -0.313 122.394 122.820 -0.188 0.000 1.917 3434 A HA -0.291 4.031 4.320 0.003 0.000 0.219 3434 A C 2.341 179.866 177.584 -0.097 0.000 1.182 3434 A CA 2.275 54.131 52.037 -0.302 0.000 0.633 3434 A CB -0.552 18.025 19.000 -0.705 0.000 0.819 3434 A HN 0.551 nan 8.150 nan 0.000 0.448 3435 R N -0.385 120.116 120.500 0.001 0.000 2.070 3435 R HA -0.105 4.236 4.340 0.003 0.000 0.233 3435 R C 2.163 178.549 176.300 0.144 0.000 1.137 3435 R CA 1.479 57.690 56.100 0.185 0.000 0.945 3435 R CB -0.462 29.946 30.300 0.181 0.000 0.845 3435 R HN 0.608 nan 8.270 nan 0.000 0.430 3436 N N 0.077 118.844 118.700 0.111 0.000 2.061 3436 N HA -0.229 4.512 4.740 0.003 0.000 0.193 3436 N C 1.812 177.407 175.510 0.142 0.000 1.030 3436 N CA 1.593 54.709 53.050 0.111 0.000 0.856 3436 N CB -0.368 38.180 38.487 0.101 0.000 1.023 3436 N HN 0.309 nan 8.380 nan 0.000 0.424 3437 H N 1.500 120.620 119.070 0.083 0.000 2.352 3437 H HA -0.040 4.518 4.556 0.003 0.000 0.299 3437 H C 2.319 177.707 175.328 0.099 0.000 1.097 3437 H CA 1.806 57.923 56.048 0.117 0.000 1.311 3437 H CB -0.032 29.832 29.762 0.170 0.000 1.377 3437 H HN 0.114 nan 8.280 nan 0.000 0.504 3438 R N 0.315 120.907 120.500 0.154 0.000 2.082 3438 R HA -0.144 4.197 4.340 0.003 0.000 0.234 3438 R C 1.408 177.733 176.300 0.043 0.000 1.136 3438 R CA 2.071 58.235 56.100 0.107 0.000 0.935 3438 R CB -0.281 30.148 30.300 0.215 0.000 0.842 3438 R HN 0.390 nan 8.270 nan 0.000 0.430 3439 D N 0.417 120.855 120.400 0.063 0.000 2.221 3439 D HA -0.130 4.512 4.640 0.003 0.000 0.204 3439 D C 1.511 177.817 176.300 0.011 0.000 0.982 3439 D CA 1.337 55.360 54.000 0.039 0.000 0.857 3439 D CB -0.147 40.685 40.800 0.053 0.000 0.934 3439 D HN 0.440 nan 8.370 nan 0.000 0.475 3440 A N 0.055 122.869 122.820 -0.010 0.000 2.209 3440 A HA 0.301 4.623 4.320 0.003 0.000 0.212 3440 A C 1.570 179.118 177.584 -0.060 0.000 1.158 3440 A CA 1.088 53.107 52.037 -0.031 0.000 0.742 3440 A CB -0.332 18.640 19.000 -0.045 0.000 0.790 3440 A HN 0.260 nan 8.150 nan 0.000 0.472 3441 G N -2.001 106.761 108.800 -0.063 0.000 2.303 3441 G HA2 0.273 4.234 3.960 0.003 0.000 0.260 3441 G HA3 0.273 4.234 3.960 0.003 0.000 0.260 3441 G C -0.044 174.802 174.900 -0.090 0.000 1.106 3441 G CA 0.202 45.269 45.100 -0.055 0.000 0.900 3441 G HN 1.715 nan 8.290 nan 0.000 0.495 3442 A N -0.061 122.672 122.820 -0.145 0.000 2.449 3442 A HA 0.927 5.249 4.320 0.003 0.000 0.302 3442 A C -2.673 174.898 177.584 -0.020 0.000 1.048 3442 A CA -1.660 50.286 52.037 -0.152 0.000 0.708 3442 A CB 1.841 20.578 19.000 -0.438 0.000 1.274 3442 A HN 0.113 nan 8.150 nan 0.000 0.410 3443 P HA 0.159 nan 4.420 nan 0.000 0.258 3443 P C -0.399 177.014 177.300 0.188 0.000 1.172 3443 P CA 1.017 64.174 63.100 0.095 0.000 0.762 3443 P CB 0.438 32.248 31.700 0.185 0.000 0.764 3444 T N 3.471 118.018 114.554 -0.012 0.000 2.876 3444 T HA 0.572 4.923 4.350 0.003 0.000 0.289 3444 T C -1.078 173.453 174.700 -0.281 0.000 1.014 3444 T CA -0.252 61.872 62.100 0.040 0.000 0.986 3444 T CB 0.845 69.791 68.868 0.129 0.000 1.021 3444 T HN 0.099 nan 8.240 nan 0.000 0.458 3445 Y N 1.059 121.307 120.300 -0.086 0.000 2.470 3445 Y HA 0.647 5.199 4.550 0.003 0.000 0.341 3445 Y C -0.128 175.721 175.900 -0.086 0.000 1.021 3445 Y CA -0.997 57.019 58.100 -0.140 0.000 1.025 3445 Y CB 2.019 40.129 38.460 -0.582 0.000 1.266 3445 Y HN 0.410 nan 8.280 nan 0.000 0.448 3446 M N 3.248 123.085 119.600 0.396 0.000 2.690 3446 M HA 0.600 5.082 4.480 0.003 0.000 0.302 3446 M C -1.573 175.110 176.300 0.638 0.000 1.234 3446 M CA -1.024 54.436 55.300 0.268 0.000 0.853 3446 M CB 3.238 35.861 32.600 0.039 0.000 1.748 3446 M HN 0.755 nan 8.290 nan 0.000 0.469 3447 Y N -1.520 118.967 120.300 0.311 0.000 2.624 3447 Y HA 0.653 5.205 4.550 0.003 0.000 0.334 3447 Y C -1.745 174.250 175.900 0.158 0.000 1.155 3447 Y CA -1.025 57.227 58.100 0.254 0.000 1.046 3447 Y CB 1.422 40.015 38.460 0.221 0.000 1.316 3447 Y HN 0.692 nan 8.280 nan 0.000 0.457 3448 E N 2.787 123.262 120.200 0.458 0.000 2.279 3448 E HA 0.303 4.655 4.350 0.003 0.000 0.252 3448 E C -2.208 174.664 176.600 0.453 0.000 0.894 3448 E CA -0.825 55.770 56.400 0.326 0.000 0.785 3448 E CB 1.099 30.892 29.700 0.154 0.000 1.237 3448 E HN 0.636 nan 8.360 nan 0.000 0.418 3449 F N 5.436 125.618 119.950 0.387 0.000 2.413 3449 F HA 0.171 4.700 4.527 0.003 0.000 0.359 3449 F C -0.280 175.639 175.800 0.199 0.000 1.122 3449 F CA -0.137 58.020 58.000 0.261 0.000 1.160 3449 F CB 0.525 39.686 39.000 0.269 0.000 1.146 3449 F HN 0.363 nan 8.300 nan 0.000 0.514 3450 Q N 7.354 127.042 119.800 -0.187 0.000 2.401 3450 Q HA 0.370 4.712 4.340 0.003 0.000 0.260 3450 Q C -1.839 174.011 176.000 -0.250 0.000 1.034 3450 Q CA -0.830 54.903 55.803 -0.117 0.000 0.737 3450 Q CB 2.010 30.739 28.738 -0.015 0.000 1.227 3450 Q HN 0.795 nan 8.270 nan 0.000 0.488 3451 Y N 0.705 120.769 120.300 -0.393 0.000 2.620 3451 Y HA 0.358 4.910 4.550 0.003 0.000 0.331 3451 Y C -1.825 174.052 175.900 -0.039 0.000 1.173 3451 Y CA -0.883 57.033 58.100 -0.306 0.000 1.076 3451 Y CB 1.996 40.110 38.460 -0.577 0.000 1.336 3451 Y HN 0.653 nan 8.280 nan 0.000 0.459 3452 R N 6.324 126.634 120.500 -0.318 0.000 2.272 3452 R HA 0.472 4.813 4.340 0.003 0.000 0.323 3452 R C -2.849 173.471 176.300 0.033 0.000 1.002 3452 R CA -2.058 53.997 56.100 -0.076 0.000 0.900 3452 R CB 0.999 31.186 30.300 -0.190 0.000 1.151 3452 R HN 0.375 nan 8.270 nan 0.000 0.507 3453 P HA -0.037 nan 4.420 nan 0.000 0.269 3453 P C 0.216 177.413 177.300 -0.172 0.000 1.209 3453 P CA 0.095 63.294 63.100 0.166 0.000 0.776 3453 P CB 1.416 33.201 31.700 0.142 0.000 0.876 3454 S N 1.160 116.596 115.700 -0.441 0.000 2.515 3454 S HA -0.074 4.398 4.470 0.003 0.000 0.231 3454 S C 1.207 175.431 174.600 -0.625 0.000 0.987 3454 S CA 0.414 58.281 58.200 -0.555 0.000 0.936 3454 S CB -1.114 61.696 63.200 -0.650 0.000 0.766 3454 S HN 0.375 nan 8.310 nan 0.000 0.528 3455 F N 2.146 121.900 119.950 -0.326 0.000 2.797 3455 F HA 0.353 4.882 4.527 0.003 0.000 0.302 3455 F C 1.368 176.969 175.800 -0.331 0.000 1.130 3455 F CA -0.474 57.292 58.000 -0.390 0.000 1.387 3455 F CB -0.596 37.990 39.000 -0.689 0.000 1.107 3455 F HN 0.012 nan 8.300 nan 0.000 0.577 3456 S N 0.360 115.962 115.700 -0.163 0.000 2.559 3456 S HA -0.023 4.449 4.470 0.003 0.000 0.282 3456 S C 0.700 175.279 174.600 -0.036 0.000 1.336 3456 S CA -0.382 57.782 58.200 -0.059 0.000 1.037 3456 S CB 0.601 63.748 63.200 -0.088 0.000 0.853 3456 S HN 0.305 nan 8.310 nan 0.000 0.523 3457 S N 0.352 116.063 115.700 0.017 0.000 2.580 3457 S HA 0.014 4.485 4.470 0.003 0.000 0.266 3457 S C 0.915 175.433 174.600 -0.135 0.000 1.354 3457 S CA -0.513 57.692 58.200 0.009 0.000 1.008 3457 S CB 0.204 63.504 63.200 0.167 0.000 0.898 3457 S HN 0.663 nan 8.310 nan 0.000 0.555 3458 D N 2.047 122.397 120.400 -0.083 0.000 2.123 3458 D HA -0.057 4.584 4.640 0.003 0.000 0.200 3458 D C 1.606 177.794 176.300 -0.188 0.000 0.976 3458 D CA 1.366 55.297 54.000 -0.114 0.000 0.831 3458 D CB -0.195 40.574 40.800 -0.052 0.000 0.974 3458 D HN 0.582 nan 8.370 nan 0.000 0.469 3459 M N 0.393 119.894 119.600 -0.164 0.000 2.748 3459 M HA -0.060 4.422 4.480 0.003 0.000 0.241 3459 M C 0.787 176.674 176.300 -0.689 0.000 1.080 3459 M CA 0.600 55.791 55.300 -0.181 0.000 1.068 3459 M CB -0.068 32.626 32.600 0.156 0.000 1.536 3459 M HN -0.237 nan 8.290 nan 0.000 0.540 3460 K N 2.616 122.430 120.400 -0.976 0.000 2.240 3460 K HA 0.297 4.619 4.320 0.003 0.000 0.271 3460 K C -2.374 173.864 176.600 -0.604 0.000 1.018 3460 K CA -1.913 53.579 56.287 -1.325 0.000 0.874 3460 K CB 1.092 32.901 32.500 -1.151 0.000 1.098 3460 K HN -0.113 nan 8.250 nan 0.000 0.458 3461 P HA 0.010 nan 4.420 nan 0.000 0.268 3461 P C -0.539 176.656 177.300 -0.176 0.000 1.205 3461 P CA 0.004 62.970 63.100 -0.224 0.000 0.771 3461 P CB 0.802 32.424 31.700 -0.130 0.000 0.858 3462 K N 0.634 120.953 120.400 -0.135 0.000 2.515 3462 K HA -0.037 4.284 4.320 0.003 0.000 0.196 3462 K C 1.398 177.943 176.600 -0.092 0.000 1.038 3462 K CA 1.345 57.560 56.287 -0.119 0.000 0.967 3462 K CB -0.350 32.084 32.500 -0.109 0.000 0.780 3462 K HN 0.613 nan 8.250 nan 0.000 0.483 3463 T N -2.392 112.122 114.554 -0.067 0.000 3.081 3463 T HA 0.088 4.440 4.350 0.003 0.000 0.250 3463 T C 0.665 175.356 174.700 -0.015 0.000 1.100 3463 T CA -0.256 61.822 62.100 -0.037 0.000 1.038 3463 T CB 0.122 68.981 68.868 -0.015 0.000 0.962 3463 T HN -0.227 nan 8.240 nan 0.000 0.516 3464 V N 2.813 122.717 119.914 -0.017 0.000 2.353 3464 V HA 0.419 4.541 4.120 0.003 0.000 0.264 3464 V C -0.085 176.025 176.094 0.027 0.000 1.049 3464 V CA -0.693 61.626 62.300 0.033 0.000 0.896 3464 V CB 0.008 31.868 31.823 0.063 0.000 1.025 3464 V HN 0.461 nan 8.190 nan 0.000 0.475 3465 I N 3.575 124.166 120.570 0.035 0.000 2.474 3465 I HA 0.635 4.807 4.170 0.003 0.000 0.294 3465 I C 1.011 177.186 176.117 0.097 0.000 1.005 3465 I CA -0.439 60.876 61.300 0.025 0.000 1.113 3465 I CB 1.808 39.782 38.000 -0.042 0.000 1.289 3465 I HN 0.762 nan 8.210 nan 0.000 0.436 3466 G N 3.662 112.563 108.800 0.169 0.000 2.256 3466 G HA2 -0.226 3.736 3.960 0.003 0.000 0.272 3466 G HA3 -0.226 3.736 3.960 0.003 0.000 0.272 3466 G C -0.337 174.710 174.900 0.245 0.000 1.076 3466 G CA -0.162 45.097 45.100 0.265 0.000 0.882 3466 G HN 0.708 nan 8.290 nan 0.000 0.497 3467 D N -0.780 119.770 120.400 0.251 0.000 2.358 3467 D HA 0.388 5.029 4.640 0.003 0.000 0.244 3467 D C 0.930 177.382 176.300 0.252 0.000 1.163 3467 D CA -0.504 53.645 54.000 0.248 0.000 0.945 3467 D CB 0.389 41.364 40.800 0.292 0.000 1.152 3467 D HN 0.353 nan 8.370 nan 0.000 0.451 3468 H N 0.500 119.633 119.070 0.105 0.000 3.192 3468 H HA 0.222 4.780 4.556 0.003 0.000 0.295 3468 H C 1.425 176.836 175.328 0.138 0.000 0.943 3468 H CA 1.901 57.983 56.048 0.056 0.000 1.416 3468 H CB -0.093 29.685 29.762 0.026 0.000 1.434 3468 H HN 0.605 nan 8.280 nan 0.000 0.565 3469 G N 4.276 112.855 108.800 -0.368 0.000 2.179 3469 G HA2 -0.352 3.610 3.960 0.003 0.000 0.260 3469 G HA3 -0.352 3.610 3.960 0.003 0.000 0.260 3469 G C 1.278 176.059 174.900 -0.198 0.000 0.977 3469 G CA 0.526 45.339 45.100 -0.480 0.000 0.641 3469 G HN 0.658 nan 8.290 nan 0.000 0.533 3470 D N 0.992 121.443 120.400 0.085 0.000 2.182 3470 D HA -0.089 4.553 4.640 0.003 0.000 0.201 3470 D C 2.461 178.805 176.300 0.073 0.000 0.986 3470 D CA 1.439 55.630 54.000 0.317 0.000 0.847 3470 D CB -0.110 40.977 40.800 0.479 0.000 0.942 3470 D HN 0.751 nan 8.370 nan 0.000 0.467 3471 E N 1.388 121.296 120.200 -0.487 0.000 2.204 3471 E HA -0.173 4.178 4.350 0.003 0.000 0.195 3471 E C 2.339 178.619 176.600 -0.534 0.000 0.990 3471 E CA 0.387 56.110 56.400 -1.128 0.000 0.821 3471 E CB -0.797 28.280 29.700 -1.040 0.000 0.750 3471 E HN 0.337 nan 8.360 nan 0.000 0.477 3472 L N -0.192 120.794 121.223 -0.395 0.000 2.089 3472 L HA -0.211 4.131 4.340 0.003 0.000 0.213 3472 L C 2.640 179.258 176.870 -0.420 0.000 1.079 3472 L CA 1.818 56.404 54.840 -0.424 0.000 0.758 3472 L CB -0.683 40.968 42.059 -0.680 0.000 0.891 3472 L HN 0.046 nan 8.230 nan 0.000 0.433 3473 F N -0.716 119.141 119.950 -0.154 0.000 2.234 3473 F HA -0.158 4.371 4.527 0.002 0.000 0.299 3473 F C 2.636 178.365 175.800 -0.118 0.000 1.087 3473 F CA 1.204 59.124 58.000 -0.134 0.000 1.340 3473 F CB -0.495 38.490 39.000 -0.024 0.000 1.031 3473 F HN -0.028 nan 8.300 nan 0.000 0.500 3474 S N -0.237 115.462 115.700 -0.002 0.000 2.377 3474 S HA -0.083 4.388 4.470 0.003 0.000 0.223 3474 S C 2.277 176.725 174.600 -0.253 0.000 1.030 3474 S CA 0.895 59.044 58.200 -0.083 0.000 0.970 3474 S CB -0.442 62.701 63.200 -0.095 0.000 0.830 3474 S HN 0.113 nan 8.310 nan 0.000 0.473 3475 V N 0.811 120.473 119.914 -0.421 0.000 2.343 3475 V HA -0.114 4.007 4.120 0.003 0.000 0.247 3475 V C 1.447 177.199 176.094 -0.570 0.000 1.051 3475 V CA 1.609 63.539 62.300 -0.617 0.000 1.036 3475 V CB -0.677 30.764 31.823 -0.635 0.000 0.654 3475 V HN 0.446 nan 8.190 nan 0.000 0.451 3476 F N 0.497 120.238 119.950 -0.349 0.000 2.692 3476 F HA 0.454 4.982 4.527 0.002 0.000 0.303 3476 F C 1.661 177.325 175.800 -0.227 0.000 1.114 3476 F CA 0.481 58.298 58.000 -0.306 0.000 1.361 3476 F CB -0.303 38.476 39.000 -0.369 0.000 1.063 3476 F HN 0.253 nan 8.300 nan 0.000 0.550 3477 G N 0.728 109.487 108.800 -0.069 0.000 2.295 3477 G HA2 -0.285 3.676 3.960 0.003 0.000 0.287 3477 G HA3 -0.285 3.676 3.960 0.003 0.000 0.287 3477 G C 1.271 176.251 174.900 0.134 0.000 1.055 3477 G CA 0.284 45.436 45.100 0.087 0.000 0.922 3477 G HN 0.582 nan 8.290 nan 0.000 0.503 3478 A N 0.197 123.012 122.820 -0.009 0.000 1.917 3478 A HA 0.068 4.389 4.320 0.003 0.000 0.219 3478 A C 0.652 178.117 177.584 -0.197 0.000 1.182 3478 A CA 2.239 54.148 52.037 -0.214 0.000 0.633 3478 A CB -0.847 17.892 19.000 -0.436 0.000 0.819 3478 A HN 0.482 nan 8.150 nan 0.000 0.448 3479 P HA -0.103 nan 4.420 nan 0.000 0.223 3479 P C 0.406 177.467 177.300 -0.399 0.000 1.144 3479 P CA 0.889 63.914 63.100 -0.124 0.000 0.783 3479 P CB -0.136 31.380 31.700 -0.307 0.000 0.771 3480 F N -2.706 117.249 119.950 0.008 0.000 2.695 3480 F HA 0.242 4.771 4.527 0.003 0.000 0.303 3480 F C 1.684 177.489 175.800 0.009 0.000 1.091 3480 F CA 0.345 58.356 58.000 0.017 0.000 1.300 3480 F CB -0.231 38.744 39.000 -0.042 0.000 1.071 3480 F HN -0.171 nan 8.300 nan 0.000 0.578 3481 L N -1.738 119.546 121.223 0.102 0.000 2.758 3481 L HA 0.211 4.553 4.340 0.003 0.000 0.234 3481 L C 1.197 178.089 176.870 0.037 0.000 1.049 3481 L CA 0.126 55.002 54.840 0.060 0.000 0.908 3481 L CB 0.150 42.220 42.059 0.018 0.000 1.362 3481 L HN -0.214 nan 8.230 nan 0.000 0.499 3482 K N 0.608 121.017 120.400 0.016 0.000 2.627 3482 K HA 0.354 4.675 4.320 0.003 0.000 0.269 3482 K C -0.404 176.280 176.600 0.139 0.000 1.029 3482 K CA -0.433 55.900 56.287 0.077 0.000 1.026 3482 K CB 0.669 33.211 32.500 0.070 0.000 1.350 3482 K HN -0.044 nan 8.250 nan 0.000 0.506 3483 E N -1.107 119.199 120.200 0.178 0.000 2.299 3483 E HA 0.299 4.651 4.350 0.003 0.000 0.265 3483 E C -0.575 176.072 176.600 0.078 0.000 0.911 3483 E CA -0.575 55.890 56.400 0.109 0.000 0.789 3483 E CB 1.778 31.517 29.700 0.065 0.000 1.246 3483 E HN 0.753 nan 8.360 nan 0.000 0.427 3484 G N 0.887 109.697 108.800 0.017 0.000 2.333 3484 G HA2 -0.182 3.780 3.960 0.003 0.000 0.296 3484 G HA3 -0.182 3.780 3.960 0.003 0.000 0.296 3484 G C -0.152 174.688 174.900 -0.101 0.000 1.059 3484 G CA 0.298 45.374 45.100 -0.041 0.000 1.050 3484 G HN 0.538 nan 8.290 nan 0.000 0.508 3485 A N 0.514 123.291 122.820 -0.071 0.000 2.260 3485 A HA 0.832 5.154 4.320 0.003 0.000 0.308 3485 A C 0.941 178.470 177.584 -0.091 0.000 1.254 3485 A CA 0.609 52.579 52.037 -0.112 0.000 0.874 3485 A CB 0.588 19.569 19.000 -0.032 0.000 1.153 3485 A HN 2.085 nan 8.150 nan 0.000 0.527 3486 S N 1.732 117.378 115.700 -0.091 0.000 2.569 3486 S HA 0.030 4.501 4.470 0.003 0.000 0.274 3486 S C 0.925 175.502 174.600 -0.039 0.000 1.353 3486 S CA 0.595 58.763 58.200 -0.053 0.000 1.023 3486 S CB 0.684 63.862 63.200 -0.036 0.000 0.876 3486 S HN 0.780 nan 8.310 nan 0.000 0.540 3487 E N 0.941 121.126 120.200 -0.024 0.000 2.160 3487 E HA -0.222 4.130 4.350 0.003 0.000 0.195 3487 E C 1.905 178.502 176.600 -0.005 0.000 0.991 3487 E CA 1.965 58.357 56.400 -0.014 0.000 0.810 3487 E CB -0.358 29.341 29.700 -0.001 0.000 0.742 3487 E HN 0.899 nan 8.360 nan 0.000 0.466 3488 E N 0.223 120.428 120.200 0.008 0.000 2.058 3488 E HA -0.289 4.063 4.350 0.003 0.000 0.194 3488 E C 2.053 178.659 176.600 0.010 0.000 0.997 3488 E CA 1.529 57.948 56.400 0.031 0.000 0.801 3488 E CB -0.190 29.552 29.700 0.070 0.000 0.746 3488 E HN 0.415 nan 8.360 nan 0.000 0.450 3489 E N 0.155 120.360 120.200 0.008 0.000 2.072 3489 E HA -0.163 4.188 4.350 0.003 0.000 0.191 3489 E C 2.202 178.760 176.600 -0.069 0.000 0.985 3489 E CA 1.257 57.626 56.400 -0.052 0.000 0.801 3489 E CB -0.079 29.616 29.700 -0.008 0.000 0.750 3489 E HN 0.386 nan 8.360 nan 0.000 0.452 3490 I N 0.435 120.957 120.570 -0.081 0.000 2.208 3490 I HA -0.296 3.876 4.170 0.003 0.000 0.245 3490 I C 2.769 178.898 176.117 0.020 0.000 1.097 3490 I CA 1.149 62.363 61.300 -0.143 0.000 1.363 3490 I CB -0.274 37.626 38.000 -0.167 0.000 1.051 3490 I HN 0.087 nan 8.210 nan 0.000 0.413 3491 R N 0.739 121.255 120.500 0.026 0.000 2.073 3491 R HA -0.172 4.169 4.340 0.003 0.000 0.229 3491 R C 2.345 178.665 176.300 0.033 0.000 1.120 3491 R CA 1.132 57.266 56.100 0.056 0.000 0.967 3491 R CB -0.196 30.124 30.300 0.033 0.000 0.862 3491 R HN 0.190 nan 8.270 nan 0.000 0.436 3492 L N 0.422 121.628 121.223 -0.028 0.000 1.989 3492 L HA -0.188 4.154 4.340 0.003 0.000 0.211 3492 L C 2.263 179.119 176.870 -0.023 0.000 1.071 3492 L CA 2.313 57.109 54.840 -0.074 0.000 0.749 3492 L CB -1.049 40.851 42.059 -0.266 0.000 0.890 3492 L HN 0.162 nan 8.230 nan 0.000 0.431 3493 S N -0.877 114.828 115.700 0.008 0.000 2.359 3493 S HA -0.271 4.201 4.470 0.003 0.000 0.224 3493 S C 2.119 176.768 174.600 0.082 0.000 1.035 3493 S CA 1.783 60.018 58.200 0.059 0.000 1.018 3493 S CB -0.289 63.016 63.200 0.176 0.000 0.876 3493 S HN 0.534 nan 8.310 nan 0.000 0.448 3494 K N 0.131 120.643 120.400 0.186 0.000 2.074 3494 K HA -0.155 4.166 4.320 0.003 0.000 0.209 3494 K C 2.318 178.932 176.600 0.025 0.000 1.048 3494 K CA 1.846 58.222 56.287 0.149 0.000 0.926 3494 K CB -0.299 32.331 32.500 0.216 0.000 0.713 3494 K HN 0.466 nan 8.250 nan 0.000 0.444 3495 M N 0.573 120.173 119.600 0.001 0.000 2.067 3495 M HA -0.198 4.284 4.480 0.003 0.000 0.260 3495 M C 2.038 178.314 176.300 -0.040 0.000 1.069 3495 M CA 1.555 56.812 55.300 -0.071 0.000 1.117 3495 M CB 0.015 32.605 32.600 -0.016 0.000 1.334 3495 M HN -0.051 nan 8.290 nan 0.000 0.407 3496 V N 0.810 120.727 119.914 0.004 0.000 2.287 3496 V HA -0.344 3.778 4.120 0.003 0.000 0.248 3496 V C 2.396 178.421 176.094 -0.116 0.000 1.053 3496 V CA 2.105 64.363 62.300 -0.070 0.000 1.027 3496 V CB -0.761 30.824 31.823 -0.396 0.000 0.646 3496 V HN 0.566 nan 8.190 nan 0.000 0.447 3497 M N -0.884 118.618 119.600 -0.163 0.000 2.108 3497 M HA -0.198 4.284 4.480 0.003 0.000 0.261 3497 M C 2.389 178.709 176.300 0.034 0.000 1.066 3497 M CA 1.751 56.976 55.300 -0.126 0.000 1.107 3497 M CB -0.614 31.894 32.600 -0.154 0.000 1.356 3497 M HN 0.229 nan 8.290 nan 0.000 0.406 3498 K N 0.340 120.747 120.400 0.011 0.000 1.991 3498 K HA -0.119 4.203 4.320 0.003 0.000 0.212 3498 K C 1.859 178.535 176.600 0.126 0.000 1.049 3498 K CA 1.738 58.026 56.287 0.002 0.000 0.932 3498 K CB -0.667 31.751 32.500 -0.136 0.000 0.717 3498 K HN 0.304 nan 8.250 nan 0.000 0.441 3499 F N -0.100 119.991 119.950 0.234 0.000 2.065 3499 F HA -0.295 4.233 4.527 0.003 0.000 0.298 3499 F C 2.631 178.640 175.800 0.349 0.000 1.112 3499 F CA 1.069 59.275 58.000 0.344 0.000 1.212 3499 F CB -0.355 39.005 39.000 0.600 0.000 0.975 3499 F HN 0.264 nan 8.300 nan 0.000 0.476 3500 W N 0.148 121.560 121.300 0.185 0.000 2.311 3500 W HA -0.305 4.356 4.660 0.002 0.000 0.326 3500 W C 2.705 179.233 176.519 0.015 0.000 1.239 3500 W CA 0.963 58.326 57.345 0.030 0.000 1.258 3500 W CB -0.894 28.508 29.460 -0.096 0.000 1.165 3500 W HN 0.033 nan 8.180 nan 0.000 0.466 3501 A N 0.763 123.715 122.820 0.221 0.000 1.917 3501 A HA -0.280 4.041 4.320 0.003 0.000 0.219 3501 A C 1.721 179.357 177.584 0.086 0.000 1.182 3501 A CA 2.194 54.284 52.037 0.089 0.000 0.633 3501 A CB -1.194 17.838 19.000 0.054 0.000 0.819 3501 A HN 0.337 nan 8.150 nan 0.000 0.448 3502 N N -1.035 117.740 118.700 0.126 0.000 2.069 3502 N HA -0.166 4.575 4.740 0.003 0.000 0.191 3502 N C 1.450 177.006 175.510 0.077 0.000 1.031 3502 N CA 1.617 54.725 53.050 0.097 0.000 0.852 3502 N CB -0.660 37.907 38.487 0.133 0.000 1.018 3502 N HN 0.521 nan 8.380 nan 0.000 0.423 3503 F N 1.856 121.759 119.950 -0.078 0.000 2.069 3503 F HA -0.145 4.384 4.527 0.003 0.000 0.298 3503 F C 2.259 177.994 175.800 -0.109 0.000 1.113 3503 F CA 1.503 59.400 58.000 -0.172 0.000 1.214 3503 F CB -0.751 38.065 39.000 -0.307 0.000 0.978 3503 F HN 0.056 nan 8.300 nan 0.000 0.474 3504 A N 0.143 122.936 122.820 -0.044 0.000 2.032 3504 A HA -0.233 4.089 4.320 0.003 0.000 0.221 3504 A C 2.336 179.846 177.584 -0.124 0.000 1.165 3504 A CA 1.989 53.958 52.037 -0.113 0.000 0.645 3504 A CB -0.687 18.281 19.000 -0.053 0.000 0.807 3504 A HN 0.513 nan 8.150 nan 0.000 0.453 3505 R N -0.898 119.549 120.500 -0.089 0.000 2.048 3505 R HA 0.032 4.374 4.340 0.003 0.000 0.224 3505 R C 1.063 177.298 176.300 -0.108 0.000 1.163 3505 R CA 1.320 57.377 56.100 -0.071 0.000 0.956 3505 R CB -0.163 30.120 30.300 -0.028 0.000 0.849 3505 R HN 0.536 nan 8.270 nan 0.000 0.435 3506 N N -0.748 117.882 118.700 -0.116 0.000 2.205 3506 N HA 0.071 4.812 4.740 0.003 0.000 0.201 3506 N C 0.460 175.858 175.510 -0.188 0.000 1.128 3506 N CA 0.817 53.799 53.050 -0.113 0.000 0.867 3506 N CB 1.674 40.135 38.487 -0.043 0.000 0.996 3506 N HN 0.391 nan 8.380 nan 0.000 0.503 3507 G N 1.811 110.361 108.800 -0.416 0.000 2.176 3507 G HA2 -0.262 3.700 3.960 0.003 0.000 0.252 3507 G HA3 -0.262 3.700 3.960 0.003 0.000 0.252 3507 G C -0.219 174.551 174.900 -0.215 0.000 1.024 3507 G CA 0.152 44.840 45.100 -0.687 0.000 0.755 3507 G HN 0.471 nan 8.290 nan 0.000 0.507 3508 N N -0.618 118.036 118.700 -0.077 0.000 2.578 3508 N HA 0.317 5.059 4.740 0.003 0.000 0.282 3508 N C -1.475 173.999 175.510 -0.059 0.000 1.119 3508 N CA -1.054 51.972 53.050 -0.040 0.000 0.948 3508 N CB 2.123 40.638 38.487 0.047 0.000 1.546 3508 N HN -0.057 nan 8.380 nan 0.000 0.525 3509 P HA -0.101 nan 4.420 nan 0.000 0.218 3509 P C -0.024 177.456 177.300 0.299 0.000 1.149 3509 P CA 0.709 63.795 63.100 -0.023 0.000 0.817 3509 P CB 0.278 31.669 31.700 -0.516 0.000 0.785 3510 N N 0.814 119.629 118.700 0.190 0.000 2.305 3510 N HA 0.210 4.951 4.740 0.003 0.000 0.232 3510 N C 0.992 176.623 175.510 0.201 0.000 1.274 3510 N CA 1.472 54.697 53.050 0.290 0.000 0.870 3510 N CB 0.120 38.757 38.487 0.250 0.000 1.105 3510 N HN 0.218 nan 8.380 nan 0.000 0.436 3511 G N -0.424 108.485 108.800 0.181 0.000 2.338 3511 G HA2 0.177 4.139 3.960 0.003 0.000 0.295 3511 G HA3 0.177 4.139 3.960 0.003 0.000 0.295 3511 G C -1.496 173.451 174.900 0.078 0.000 1.461 3511 G CA -0.825 44.335 45.100 0.100 0.000 0.817 3511 G HN 0.586 nan 8.290 nan 0.000 0.556 3512 E N -0.438 119.793 120.200 0.051 0.000 2.384 3512 E HA 0.439 4.791 4.350 0.003 0.000 0.266 3512 E C 1.123 177.730 176.600 0.012 0.000 1.012 3512 E CA 0.257 56.681 56.400 0.039 0.000 0.901 3512 E CB 1.101 30.818 29.700 0.028 0.000 0.967 3512 E HN 2.168 nan 8.360 nan 0.000 0.435 3513 G N 2.711 111.521 108.800 0.016 0.000 2.213 3513 G HA2 -0.253 3.709 3.960 0.003 0.000 0.236 3513 G HA3 -0.253 3.709 3.960 0.003 0.000 0.236 3513 G C 0.003 174.887 174.900 -0.027 0.000 0.991 3513 G CA 0.125 45.222 45.100 -0.006 0.000 0.629 3513 G HN 0.443 nan 8.290 nan 0.000 0.517 3514 L N 0.963 122.171 121.223 -0.026 0.000 2.346 3514 L HA 0.562 4.904 4.340 0.003 0.000 0.274 3514 L C -1.873 175.091 176.870 0.158 0.000 1.007 3514 L CA -2.382 52.419 54.840 -0.065 0.000 0.818 3514 L CB 1.564 43.381 42.059 -0.403 0.000 1.284 3514 L HN -0.152 nan 8.230 nan 0.000 0.424 3515 P HA -0.082 nan 4.420 nan 0.000 0.270 3515 P C -0.884 176.659 177.300 0.404 0.000 1.216 3515 P CA 0.013 63.284 63.100 0.284 0.000 0.788 3515 P CB 0.258 32.109 31.700 0.252 0.000 0.883 3516 H N 0.867 120.075 119.070 0.230 0.000 2.646 3516 H HA 0.225 4.783 4.556 0.002 0.000 0.325 3516 H C -1.077 174.433 175.328 0.303 0.000 1.075 3516 H CA -0.140 56.065 56.048 0.262 0.000 1.421 3516 H CB 0.210 30.081 29.762 0.181 0.000 1.461 3516 H HN 0.331 nan 8.280 nan 0.000 0.525 3517 W N 9.738 130.829 121.300 -0.348 0.000 2.278 3517 W HA 0.314 4.976 4.660 0.002 0.000 0.317 3517 W C -2.763 173.560 176.519 -0.327 0.000 1.030 3517 W CA -3.191 53.991 57.345 -0.271 0.000 1.334 3517 W CB 0.893 30.186 29.460 -0.279 0.000 1.215 3517 W HN 0.568 nan 8.180 nan 0.000 0.405 3518 P HA 0.022 nan 4.420 nan 0.000 0.275 3518 P C -0.211 177.292 177.300 0.338 0.000 1.227 3518 P CA 0.237 63.466 63.100 0.215 0.000 0.781 3518 P CB 1.373 33.186 31.700 0.189 0.000 0.906 3519 E N 2.447 122.729 120.200 0.138 0.000 2.383 3519 E HA -0.010 4.341 4.350 0.003 0.000 0.264 3519 E C -0.926 175.617 176.600 -0.094 0.000 1.050 3519 E CA -0.590 55.644 56.400 -0.276 0.000 0.896 3519 E CB 0.297 29.771 29.700 -0.377 0.000 0.982 3519 E HN 0.397 nan 8.360 nan 0.000 0.424 3520 Y N 5.694 125.843 120.300 -0.251 0.000 2.620 3520 Y HA 0.012 4.563 4.550 0.003 0.000 0.352 3520 Y C -0.078 175.779 175.900 -0.071 0.000 1.140 3520 Y CA -0.053 58.010 58.100 -0.060 0.000 1.529 3520 Y CB -0.415 38.028 38.460 -0.028 0.000 1.321 3520 Y HN 0.500 nan 8.280 nan 0.000 0.501 3521 N N 0.843 119.440 118.700 -0.172 0.000 3.084 3521 N HA 0.132 4.874 4.740 0.003 0.000 0.336 3521 N C 0.658 176.062 175.510 -0.178 0.000 1.391 3521 N CA -0.356 52.629 53.050 -0.108 0.000 0.712 3521 N CB 0.166 38.615 38.487 -0.064 0.000 1.248 3521 N HN 0.264 nan 8.380 nan 0.000 0.545 3522 Q N -0.427 119.315 119.800 -0.097 0.000 2.170 3522 Q HA -0.003 4.339 4.340 0.003 0.000 0.203 3522 Q C 1.080 177.014 176.000 -0.111 0.000 0.976 3522 Q CA 1.375 57.128 55.803 -0.083 0.000 0.858 3522 Q CB -0.366 28.351 28.738 -0.036 0.000 0.907 3522 Q HN 0.502 nan 8.270 nan 0.000 0.433 3523 K N 0.853 121.185 120.400 -0.113 0.000 2.432 3523 K HA -0.027 4.294 4.320 0.003 0.000 0.196 3523 K C -0.102 176.404 176.600 -0.155 0.000 1.038 3523 K CA 0.098 56.330 56.287 -0.093 0.000 0.986 3523 K CB 0.205 32.674 32.500 -0.051 0.000 0.782 3523 K HN 0.208 nan 8.250 nan 0.000 0.485 3524 E N -0.324 119.669 120.200 -0.346 0.000 2.246 3524 E HA -0.159 4.192 4.350 0.003 0.000 0.211 3524 E C -0.116 176.337 176.600 -0.245 0.000 1.278 3524 E CA 0.298 56.301 56.400 -0.661 0.000 0.694 3524 E CB -1.869 27.578 29.700 -0.422 0.000 1.166 3524 E HN 0.444 nan 8.360 nan 0.000 0.370 3525 G N 0.996 109.717 108.800 -0.131 0.000 2.395 3525 G HA2 0.512 4.473 3.960 0.003 0.000 0.283 3525 G HA3 0.512 4.473 3.960 0.003 0.000 0.283 3525 G C -0.446 174.643 174.900 0.315 0.000 1.178 3525 G CA -0.279 44.859 45.100 0.063 0.000 0.837 3525 G HN 0.306 nan 8.290 nan 0.000 0.518 3526 Y N 0.101 120.528 120.300 0.211 0.000 2.644 3526 Y HA 0.739 5.291 4.550 0.002 0.000 0.338 3526 Y C -1.465 174.462 175.900 0.046 0.000 1.119 3526 Y CA -1.914 56.359 58.100 0.288 0.000 1.060 3526 Y CB 1.643 40.272 38.460 0.282 0.000 1.294 3526 Y HN 0.547 nan 8.280 nan 0.000 0.472 3527 L N 2.465 123.648 121.223 -0.066 0.000 2.295 3527 L HA 0.479 4.821 4.340 0.003 0.000 0.285 3527 L C -0.824 175.958 176.870 -0.148 0.000 1.035 3527 L CA -0.427 54.079 54.840 -0.557 0.000 0.806 3527 L CB 1.718 42.722 42.059 -1.759 0.000 1.214 3527 L HN 0.773 nan 8.230 nan 0.000 0.426 3528 Q N 6.016 125.733 119.800 -0.139 0.000 2.390 3528 Q HA 0.449 4.790 4.340 0.003 0.000 0.249 3528 Q C -0.961 175.009 176.000 -0.049 0.000 0.996 3528 Q CA -0.200 55.626 55.803 0.038 0.000 0.899 3528 Q CB 1.407 30.169 28.738 0.039 0.000 1.216 3528 Q HN 0.592 nan 8.270 nan 0.000 0.465 3529 I N 1.603 122.167 120.570 -0.010 0.000 2.385 3529 I HA 0.678 4.850 4.170 0.003 0.000 0.294 3529 I C 0.759 176.781 176.117 -0.157 0.000 0.988 3529 I CA -0.207 61.062 61.300 -0.052 0.000 1.265 3529 I CB 1.475 39.502 38.000 0.044 0.000 1.388 3529 I HN 0.766 nan 8.210 nan 0.000 0.480 3530 G N 2.983 111.697 108.800 -0.143 0.000 2.367 3530 G HA2 0.303 4.265 3.960 0.003 0.000 0.272 3530 G HA3 0.303 4.265 3.960 0.003 0.000 0.272 3530 G C 0.244 175.159 174.900 0.025 0.000 1.271 3530 G CA -0.016 45.008 45.100 -0.127 0.000 0.893 3530 G HN 0.610 nan 8.290 nan 0.000 0.485 3531 A N -0.409 122.500 122.820 0.149 0.000 1.892 3531 A HA 0.037 4.359 4.320 0.003 0.000 0.218 3531 A C 1.046 178.659 177.584 0.049 0.000 1.188 3531 A CA 1.907 54.021 52.037 0.128 0.000 0.631 3531 A CB -0.474 18.576 19.000 0.083 0.000 0.822 3531 A HN 0.542 nan 8.150 nan 0.000 0.447 3532 N N 0.824 119.537 118.700 0.023 0.000 2.621 3532 N HA 0.243 4.985 4.740 0.003 0.000 0.237 3532 N C -1.329 174.182 175.510 0.002 0.000 0.997 3532 N CA 0.053 53.111 53.050 0.012 0.000 0.918 3532 N CB 1.114 39.604 38.487 0.005 0.000 1.122 3532 N HN 0.132 nan 8.380 nan 0.000 0.510 3533 T N 3.160 117.720 114.554 0.009 0.000 2.723 3533 T HA 0.216 4.568 4.350 0.003 0.000 0.297 3533 T C 0.352 175.049 174.700 -0.006 0.000 0.925 3533 T CA -0.423 61.675 62.100 -0.003 0.000 1.030 3533 T CB 0.500 69.389 68.868 0.035 0.000 0.905 3533 T HN 0.405 nan 8.240 nan 0.000 0.502 3534 Q N 1.971 121.743 119.800 -0.048 0.000 2.462 3534 Q HA 0.702 5.044 4.340 0.003 0.000 0.285 3534 Q C -1.019 174.905 176.000 -0.127 0.000 1.035 3534 Q CA -1.140 54.632 55.803 -0.050 0.000 0.799 3534 Q CB 1.640 30.362 28.738 -0.026 0.000 1.452 3534 Q HN 0.517 nan 8.270 nan 0.000 0.404 3535 A N 0.965 123.714 122.820 -0.118 0.000 2.387 3535 A HA 0.773 5.094 4.320 0.003 0.000 0.251 3535 A C -0.042 177.371 177.584 -0.284 0.000 1.113 3535 A CA 0.659 52.576 52.037 -0.199 0.000 0.794 3535 A CB -0.099 18.857 19.000 -0.074 0.000 1.069 3535 A HN 1.384 nan 8.150 nan 0.000 0.506 3536 A N -1.009 121.528 122.820 -0.471 0.000 2.506 3536 A HA 0.699 5.020 4.320 0.003 0.000 0.305 3536 A C -0.960 176.352 177.584 -0.453 0.000 1.166 3536 A CA -0.479 51.247 52.037 -0.517 0.000 0.638 3536 A CB 0.669 19.220 19.000 -0.749 0.000 1.336 3536 A HN 0.856 nan 8.150 nan 0.000 0.493 3537 Q N -0.399 119.291 119.800 -0.182 0.000 2.511 3537 Q HA 0.541 4.883 4.340 0.003 0.000 0.289 3537 Q C -1.389 174.779 176.000 0.281 0.000 1.021 3537 Q CA -1.044 54.798 55.803 0.066 0.000 0.785 3537 Q CB 2.031 30.779 28.738 0.017 0.000 1.472 3537 Q HN 0.633 nan 8.270 nan 0.000 0.411 3538 K N 1.135 121.671 120.400 0.226 0.000 3.730 3538 K HA -0.223 4.098 4.320 0.003 0.000 0.276 3538 K C -0.635 176.109 176.600 0.240 0.000 0.904 3538 K CA 0.034 56.437 56.287 0.193 0.000 0.741 3538 K CB -1.234 31.336 32.500 0.116 0.000 1.542 3538 K HN 0.371 nan 8.250 nan 0.000 0.446 3539 L N 2.000 123.364 121.223 0.236 0.000 2.455 3539 L HA 0.015 4.356 4.340 0.003 0.000 0.272 3539 L C 0.649 177.522 176.870 0.004 0.000 1.174 3539 L CA 0.557 55.354 54.840 -0.073 0.000 0.869 3539 L CB 0.425 42.100 42.059 -0.640 0.000 1.130 3539 L HN 0.336 nan 8.230 nan 0.000 0.474 3540 K N 2.702 123.109 120.400 0.012 0.000 2.960 3540 K HA -0.301 4.020 4.320 0.003 0.000 0.259 3540 K C 0.951 177.610 176.600 0.098 0.000 1.025 3540 K CA 1.201 57.523 56.287 0.058 0.000 0.756 3540 K CB -1.349 31.176 32.500 0.041 0.000 1.221 3540 K HN 0.923 nan 8.250 nan 0.000 0.483 3541 D N 1.022 121.484 120.400 0.102 0.000 2.104 3541 D HA -0.155 4.486 4.640 0.003 0.000 0.194 3541 D C 1.769 178.136 176.300 0.113 0.000 0.994 3541 D CA 1.542 55.607 54.000 0.109 0.000 0.830 3541 D CB 0.215 41.075 40.800 0.100 0.000 0.959 3541 D HN 0.524 nan 8.370 nan 0.000 0.452 3542 K N 0.346 120.804 120.400 0.097 0.000 2.009 3542 K HA -0.211 4.110 4.320 0.003 0.000 0.210 3542 K C 2.042 178.738 176.600 0.160 0.000 1.049 3542 K CA 1.618 57.960 56.287 0.091 0.000 0.929 3542 K CB 0.073 32.595 32.500 0.037 0.000 0.714 3542 K HN -0.054 nan 8.250 nan 0.000 0.440 3543 E N 0.419 120.738 120.200 0.199 0.000 2.023 3543 E HA -0.192 4.159 4.350 0.003 0.000 0.196 3543 E C 2.008 178.867 176.600 0.431 0.000 1.003 3543 E CA 1.625 58.253 56.400 0.380 0.000 0.809 3543 E CB -0.522 29.407 29.700 0.381 0.000 0.755 3543 E HN 0.083 nan 8.360 nan 0.000 0.449 3544 V N 1.383 121.461 119.914 0.273 0.000 2.231 3544 V HA -0.379 3.743 4.120 0.003 0.000 0.250 3544 V C 2.276 178.487 176.094 0.194 0.000 1.058 3544 V CA 2.228 64.653 62.300 0.209 0.000 1.022 3544 V CB -1.162 30.744 31.823 0.138 0.000 0.640 3544 V HN 0.423 nan 8.190 nan 0.000 0.445 3545 A N -0.359 122.563 122.820 0.169 0.000 1.884 3545 A HA -0.313 4.008 4.320 0.003 0.000 0.219 3545 A C 2.091 179.759 177.584 0.140 0.000 1.197 3545 A CA 2.561 54.679 52.037 0.135 0.000 0.637 3545 A CB -0.838 18.235 19.000 0.122 0.000 0.827 3545 A HN 0.576 nan 8.150 nan 0.000 0.450 3546 F N -0.900 119.067 119.950 0.027 0.000 1.997 3546 F HA -0.195 4.333 4.527 0.003 0.000 0.296 3546 F C 2.066 177.799 175.800 -0.112 0.000 1.160 3546 F CA 1.883 59.839 58.000 -0.073 0.000 1.176 3546 F CB -1.155 37.757 39.000 -0.147 0.000 0.964 3546 F HN 0.367 nan 8.300 nan 0.000 0.484 3547 W N 0.972 121.969 121.300 -0.505 0.000 2.308 3547 W HA -0.256 4.406 4.660 0.003 0.000 0.301 3547 W C 2.628 178.819 176.519 -0.546 0.000 1.220 3547 W CA 2.216 59.105 57.345 -0.760 0.000 1.240 3547 W CB -1.267 27.907 29.460 -0.477 0.000 1.142 3547 W HN 0.034 nan 8.180 nan 0.000 0.521 3548 T N 0.334 114.872 114.554 -0.027 0.000 2.720 3548 T HA -0.234 4.118 4.350 0.003 0.000 0.268 3548 T C 1.474 176.178 174.700 0.007 0.000 1.037 3548 T CA 1.747 63.874 62.100 0.046 0.000 1.144 3548 T CB -0.438 68.472 68.868 0.069 0.000 0.864 3548 T HN 0.189 nan 8.240 nan 0.000 0.444 3549 N N 1.244 119.888 118.700 -0.093 0.000 2.135 3549 N HA -0.001 4.741 4.740 0.003 0.000 0.186 3549 N C 1.814 177.251 175.510 -0.121 0.000 1.027 3549 N CA 0.618 53.619 53.050 -0.081 0.000 0.849 3549 N CB -0.733 37.708 38.487 -0.077 0.000 1.002 3549 N HN 0.204 nan 8.380 nan 0.000 0.425 3550 L N 0.678 121.689 121.223 -0.352 0.000 2.189 3550 L HA -0.028 4.313 4.340 0.003 0.000 0.214 3550 L C 1.717 178.590 176.870 0.005 0.000 1.097 3550 L CA 1.388 56.028 54.840 -0.334 0.000 0.764 3550 L CB -0.672 40.888 42.059 -0.831 0.000 0.900 3550 L HN 0.125 nan 8.230 nan 0.000 0.436 3551 F N -1.457 118.454 119.950 -0.065 0.000 2.664 3551 F HA 0.086 4.615 4.527 0.002 0.000 0.296 3551 F C 2.109 177.908 175.800 -0.002 0.000 1.125 3551 F CA 0.113 58.118 58.000 0.008 0.000 1.444 3551 F CB -0.020 39.004 39.000 0.039 0.000 1.114 3551 F HN 0.184 nan 8.300 nan 0.000 0.576 3552 A N 0.692 123.611 122.820 0.165 0.000 2.261 3552 A HA 0.031 4.353 4.320 0.003 0.000 0.208 3552 A C 0.864 178.487 177.584 0.064 0.000 1.223 3552 A CA 0.196 52.286 52.037 0.088 0.000 0.833 3552 A CB -0.607 18.427 19.000 0.057 0.000 0.830 3552 A HN 0.380 nan 8.150 nan 0.000 0.483 3553 K N 0.000 120.449 120.400 0.082 0.000 2.780 3553 K HA 0.000 4.322 4.320 0.003 0.000 0.191 3553 K CA 0.000 56.324 56.287 0.061 0.000 0.838 3553 K CB 0.000 32.532 32.500 0.054 0.000 1.064 3553 K HN 0.000 nan 8.250 nan 0.000 0.543