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 1mx1_1_C DATA FIRST_RESID 3022 DATA SEQUENCE SPPVVDTVHG KVLGKFVSLE GFAQPVAIFL GIPFAKPPLG PLRFTPPQPA DATA SEQUENCE EPWSFVKNAT SYPPMcTQDP KAGQLLSELF TNRKENIPLK LSEDcLYLNI DATA SEQUENCE YTPADLTKKN RLPVMVWIHG GGLMVGAAST YDGLALAAHE NVVVVTIQYR DATA SEQUENCE LGIWGFFSTG DEHSRGNWGH LDQVAALRWV QDNIASFGGN PGSVTIFGES DATA SEQUENCE AGGESVSVLV LSPLAKNLFH RAISESGVAL TSVLVKKGDV KPLAEQIAIT DATA SEQUENCE AGcKTTTSAV MVHcLRQKTE EELLETTLKM KFLSLDLQGD PRESQPLLGT DATA SEQUENCE VIDGMLLLKT PEELQAERNF HTVPYMVGIN KQEFGWLIPM XLMSYPLSEG DATA SEQUENCE QLDQKTAMSL LWKSYPLVCI AKELIPEATE KYLGGTDDTV KKKDLFLDLI DATA SEQUENCE ADVMFGVPSV IVARNHRDAG APTYMYEFQY RPSFSSDMKP KTVIGDHGDE DATA SEQUENCE LFSVFGAPFL KEGASEEEIR LSKMVMKFWA NFARNGNPNG EGLPHWPEYN DATA SEQUENCE QKEGYLQIGA NTQAAQKLKD KEVAFWTNLF AK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3022 S HA 0.000 nan 4.470 nan 0.000 0.327 3022 S C 0.000 174.692 174.600 0.153 0.000 1.055 3022 S CA 0.000 58.281 58.200 0.135 0.000 1.107 3022 S CB 0.000 63.248 63.200 0.079 0.000 0.593 3023 P HA 0.249 nan 4.420 nan 0.000 0.266 3023 P C -2.651 174.511 177.300 -0.230 0.000 1.180 3023 P CA -0.192 62.817 63.100 -0.152 0.000 0.765 3023 P CB -0.622 31.012 31.700 -0.110 0.000 0.806 3024 P HA 0.139 nan 4.420 nan 0.000 0.276 3024 P C -1.007 176.275 177.300 -0.030 0.000 1.243 3024 P CA 0.120 63.009 63.100 -0.351 0.000 0.768 3024 P CB 0.622 31.934 31.700 -0.646 0.000 0.856 3025 V N 5.099 125.054 119.914 0.069 0.000 2.444 3025 V HA 0.325 4.443 4.120 -0.002 0.000 0.294 3025 V C 0.033 176.171 176.094 0.073 0.000 1.022 3025 V CA -0.594 61.777 62.300 0.118 0.000 0.850 3025 V CB 2.123 33.994 31.823 0.080 0.000 0.992 3025 V HN 0.229 nan 8.190 nan 0.000 0.426 3026 V N 3.232 123.169 119.914 0.039 0.000 2.715 3026 V HA 0.491 4.609 4.120 -0.002 0.000 0.310 3026 V C -0.432 175.584 176.094 -0.131 0.000 1.054 3026 V CA -0.708 61.468 62.300 -0.207 0.000 0.928 3026 V CB 2.290 33.661 31.823 -0.754 0.000 1.007 3026 V HN 0.781 nan 8.190 nan 0.000 0.437 3027 D N 2.638 122.940 120.400 -0.163 0.000 2.317 3027 D HA 0.442 5.080 4.640 -0.002 0.000 0.234 3027 D C 0.013 176.236 176.300 -0.128 0.000 1.112 3027 D CA 0.147 54.089 54.000 -0.095 0.000 0.840 3027 D CB 1.849 42.595 40.800 -0.090 0.000 1.078 3027 D HN 0.797 nan 8.370 nan 0.000 0.486 3028 T N -1.146 113.380 114.554 -0.047 0.000 2.950 3028 T HA 0.278 4.627 4.350 -0.002 0.000 0.288 3028 T C 1.629 176.227 174.700 -0.170 0.000 1.035 3028 T CA -0.756 61.314 62.100 -0.050 0.000 1.028 3028 T CB 1.256 70.251 68.868 0.212 0.000 1.109 3028 T HN 0.011 nan 8.240 nan 0.000 0.514 3029 V N 1.339 121.087 119.914 -0.276 0.000 2.250 3029 V HA -0.222 3.897 4.120 -0.002 0.000 0.250 3029 V C 2.453 178.315 176.094 -0.386 0.000 1.060 3029 V CA 2.006 64.085 62.300 -0.368 0.000 1.030 3029 V CB -1.108 30.397 31.823 -0.531 0.000 0.643 3029 V HN 0.894 nan 8.190 nan 0.000 0.445 3030 H N -0.098 118.798 119.070 -0.290 0.000 2.547 3030 H HA 0.426 4.980 4.556 -0.002 0.000 0.266 3030 H C 0.974 175.564 175.328 -1.230 0.000 0.988 3030 H CA 0.912 56.597 56.048 -0.605 0.000 1.147 3030 H CB 0.116 29.570 29.762 -0.514 0.000 1.365 3030 H HN 0.572 nan 8.280 nan 0.000 0.589 3031 G N 0.010 108.342 108.800 -0.781 0.000 2.369 3031 G HA2 0.005 3.963 3.960 -0.002 0.000 0.295 3031 G HA3 0.005 3.963 3.960 -0.002 0.000 0.295 3031 G C -1.344 173.547 174.900 -0.015 0.000 1.298 3031 G CA -1.136 43.515 45.100 -0.748 0.000 0.940 3031 G HN 0.039 nan 8.290 nan 0.000 0.536 3032 K N -0.351 120.205 120.400 0.260 0.000 2.218 3032 K HA 0.583 4.901 4.320 -0.002 0.000 0.276 3032 K C 0.200 177.134 176.600 0.557 0.000 1.022 3032 K CA -0.438 56.059 56.287 0.351 0.000 0.946 3032 K CB 1.815 34.454 32.500 0.233 0.000 1.000 3032 K HN 1.038 nan 8.250 nan 0.000 0.468 3033 V N 0.973 121.124 119.914 0.394 0.000 2.656 3033 V HA 0.476 4.595 4.120 -0.002 0.000 0.307 3033 V C -0.950 175.357 176.094 0.355 0.000 1.051 3033 V CA -1.135 61.391 62.300 0.376 0.000 0.893 3033 V CB 1.736 33.825 31.823 0.443 0.000 0.999 3033 V HN 0.572 nan 8.190 nan 0.000 0.426 3034 L N 4.728 126.108 121.223 0.263 0.000 2.282 3034 L HA 0.902 5.240 4.340 -0.002 0.000 0.288 3034 L C 0.372 177.276 176.870 0.057 0.000 1.033 3034 L CA 0.740 55.675 54.840 0.158 0.000 0.807 3034 L CB 0.891 42.986 42.059 0.060 0.000 1.209 3034 L HN 1.050 nan 8.230 nan 0.000 0.423 3035 G N 5.132 113.807 108.800 -0.207 0.000 3.008 3035 G HA2 0.619 4.578 3.960 -0.002 0.000 0.181 3035 G HA3 0.619 4.578 3.960 -0.002 0.000 0.181 3035 G C -1.162 173.392 174.900 -0.577 0.000 1.309 3035 G CA -0.486 44.175 45.100 -0.733 0.000 1.009 3035 G HN 0.715 nan 8.290 nan 0.000 0.584 3036 K N -1.281 118.729 120.400 -0.651 0.000 2.532 3036 K HA 0.561 4.880 4.320 -0.002 0.000 0.265 3036 K C -1.797 174.578 176.600 -0.375 0.000 0.948 3036 K CA -0.838 55.193 56.287 -0.427 0.000 0.842 3036 K CB 1.843 34.199 32.500 -0.239 0.000 1.392 3036 K HN 0.304 nan 8.250 nan 0.000 0.436 3037 F N 1.189 121.075 119.950 -0.107 0.000 2.394 3037 F HA 0.451 4.976 4.527 -0.003 0.000 0.340 3037 F C -0.269 175.513 175.800 -0.030 0.000 1.105 3037 F CA -0.915 57.052 58.000 -0.055 0.000 1.124 3037 F CB 2.048 41.035 39.000 -0.022 0.000 1.145 3037 F HN 0.083 nan 8.300 nan 0.000 0.505 3038 V N 2.759 122.805 119.914 0.221 0.000 2.524 3038 V HA 0.245 4.363 4.120 -0.002 0.000 0.297 3038 V C -0.523 175.636 176.094 0.108 0.000 1.035 3038 V CA -0.751 61.627 62.300 0.130 0.000 0.867 3038 V CB 1.768 33.654 31.823 0.106 0.000 1.004 3038 V HN 0.741 nan 8.190 nan 0.000 0.426 3039 S N 4.480 120.230 115.700 0.084 0.000 2.585 3039 S HA 0.689 5.158 4.470 -0.002 0.000 0.277 3039 S C -0.535 174.112 174.600 0.078 0.000 1.241 3039 S CA -0.350 57.892 58.200 0.071 0.000 1.041 3039 S CB 1.363 64.600 63.200 0.061 0.000 0.987 3039 S HN 0.527 nan 8.310 nan 0.000 0.512 3040 L N 3.209 124.485 121.223 0.088 0.000 2.313 3040 L HA 0.419 4.758 4.340 -0.002 0.000 0.283 3040 L C -0.085 176.940 176.870 0.259 0.000 1.013 3040 L CA -0.362 54.547 54.840 0.116 0.000 0.816 3040 L CB 1.146 43.155 42.059 -0.084 0.000 1.236 3040 L HN 0.502 nan 8.230 nan 0.000 0.419 3041 E N 3.690 124.020 120.200 0.217 0.000 2.765 3041 E HA 0.093 4.441 4.350 -0.002 0.000 0.256 3041 E C 1.033 177.760 176.600 0.212 0.000 0.935 3041 E CA 1.349 57.861 56.400 0.187 0.000 0.954 3041 E CB 0.196 29.988 29.700 0.155 0.000 0.908 3041 E HN 0.915 nan 8.360 nan 0.000 0.500 3042 G N 3.238 112.089 108.800 0.084 0.000 2.179 3042 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.260 3042 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.260 3042 G C -0.079 174.654 174.900 -0.277 0.000 0.977 3042 G CA -0.050 44.997 45.100 -0.088 0.000 0.641 3042 G HN 0.376 nan 8.290 nan 0.000 0.533 3043 F N 0.410 120.332 119.950 -0.046 0.000 2.426 3043 F HA 0.703 5.228 4.527 -0.003 0.000 0.348 3043 F C 1.310 177.083 175.800 -0.045 0.000 1.124 3043 F CA -0.121 57.843 58.000 -0.061 0.000 1.008 3043 F CB 1.664 40.622 39.000 -0.071 0.000 1.139 3043 F HN 0.088 nan 8.300 nan 0.000 0.452 3044 A N 2.363 125.223 122.820 0.066 0.000 1.845 3044 A HA -0.153 4.166 4.320 -0.002 0.000 0.215 3044 A C 1.107 178.711 177.584 0.032 0.000 1.195 3044 A CA 1.057 53.111 52.037 0.027 0.000 0.616 3044 A CB -0.555 18.442 19.000 -0.007 0.000 0.832 3044 A HN 0.667 nan 8.150 nan 0.000 0.443 3045 Q N 0.820 120.653 119.800 0.056 0.000 2.296 3045 Q HA 0.419 4.757 4.340 -0.002 0.000 0.262 3045 Q C -2.697 173.318 176.000 0.025 0.000 0.981 3045 Q CA -1.965 53.848 55.803 0.016 0.000 0.905 3045 Q CB 0.570 29.331 28.738 0.038 0.000 1.186 3045 Q HN 0.256 nan 8.270 nan 0.000 0.399 3046 P HA 0.147 nan 4.420 nan 0.000 0.276 3046 P C -1.238 176.118 177.300 0.093 0.000 1.244 3046 P CA -0.535 62.557 63.100 -0.014 0.000 0.801 3046 P CB 0.879 32.487 31.700 -0.153 0.000 1.006 3047 V N 1.347 121.349 119.914 0.146 0.000 2.439 3047 V HA 0.494 4.613 4.120 -0.002 0.000 0.282 3047 V C 0.400 176.666 176.094 0.286 0.000 1.039 3047 V CA -0.629 61.790 62.300 0.197 0.000 0.913 3047 V CB 0.857 32.766 31.823 0.143 0.000 0.983 3047 V HN 0.665 nan 8.190 nan 0.000 0.460 3048 A N 6.847 129.850 122.820 0.306 0.000 2.320 3048 A HA 0.743 5.062 4.320 -0.002 0.000 0.287 3048 A C -0.418 177.160 177.584 -0.009 0.000 1.181 3048 A CA -0.270 51.840 52.037 0.123 0.000 0.831 3048 A CB 0.006 19.144 19.000 0.231 0.000 1.102 3048 A HN 0.768 nan 8.150 nan 0.000 0.513 3049 I N 2.193 122.569 120.570 -0.323 0.000 2.433 3049 I HA 0.415 4.584 4.170 -0.002 0.000 0.292 3049 I C -1.319 174.402 176.117 -0.660 0.000 1.001 3049 I CA -0.267 60.809 61.300 -0.374 0.000 1.119 3049 I CB 1.652 39.501 38.000 -0.251 0.000 1.289 3049 I HN 0.543 nan 8.210 nan 0.000 0.438 3050 F N 6.517 126.319 119.950 -0.247 0.000 2.460 3050 F HA 0.528 5.054 4.527 -0.002 0.000 0.341 3050 F C -0.350 175.299 175.800 -0.251 0.000 1.130 3050 F CA -0.536 57.368 58.000 -0.160 0.000 0.962 3050 F CB 1.318 40.322 39.000 0.007 0.000 1.171 3050 F HN 0.101 nan 8.300 nan 0.000 0.436 3051 L N 2.594 123.737 121.223 -0.132 0.000 2.317 3051 L HA 0.709 5.048 4.340 -0.002 0.000 0.281 3051 L C 0.730 177.518 176.870 -0.137 0.000 1.024 3051 L CA -1.018 53.704 54.840 -0.197 0.000 0.810 3051 L CB 1.669 43.478 42.059 -0.416 0.000 1.240 3051 L HN 0.881 nan 8.230 nan 0.000 0.427 3052 G N 3.520 112.262 108.800 -0.096 0.000 2.324 3052 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.292 3052 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.292 3052 G C -0.301 174.624 174.900 0.041 0.000 1.079 3052 G CA -0.355 44.665 45.100 -0.134 0.000 1.026 3052 G HN 0.483 nan 8.290 nan 0.000 0.506 3053 I N 2.095 122.720 120.570 0.092 0.000 2.342 3053 I HA 0.278 4.447 4.170 -0.002 0.000 0.291 3053 I C -1.469 174.690 176.117 0.070 0.000 1.010 3053 I CA -2.357 58.980 61.300 0.063 0.000 1.308 3053 I CB 1.540 39.511 38.000 -0.050 0.000 1.400 3053 I HN 0.025 nan 8.210 nan 0.000 0.488 3054 P HA 0.073 nan 4.420 nan 0.000 0.281 3054 P C -0.311 176.880 177.300 -0.183 0.000 1.252 3054 P CA -0.099 62.835 63.100 -0.276 0.000 0.778 3054 P CB 0.644 32.195 31.700 -0.248 0.000 0.895 3055 F N 1.172 120.928 119.950 -0.323 0.000 2.661 3055 F HA 0.758 5.283 4.527 -0.002 0.000 0.306 3055 F C -0.042 175.755 175.800 -0.004 0.000 1.094 3055 F CA -1.064 56.774 58.000 -0.269 0.000 1.254 3055 F CB 0.091 38.816 39.000 -0.458 0.000 1.040 3055 F HN 0.407 nan 8.300 nan 0.000 0.562 3056 A N 0.488 123.102 122.820 -0.343 0.000 2.586 3056 A HA 0.484 4.803 4.320 -0.002 0.000 0.290 3056 A C -1.376 176.040 177.584 -0.280 0.000 1.086 3056 A CA -1.146 50.760 52.037 -0.218 0.000 0.665 3056 A CB 0.790 19.633 19.000 -0.263 0.000 1.279 3056 A HN 0.198 nan 8.150 nan 0.000 0.423 3057 K N 0.814 121.115 120.400 -0.165 0.000 2.298 3057 K HA 0.435 4.754 4.320 -0.002 0.000 0.280 3057 K C -2.429 174.053 176.600 -0.197 0.000 1.032 3057 K CA -1.501 54.694 56.287 -0.154 0.000 0.958 3057 K CB 0.347 32.794 32.500 -0.087 0.000 0.978 3057 K HN 0.337 nan 8.250 nan 0.000 0.472 3058 P HA -0.047 nan 4.420 nan 0.000 0.260 3058 P C -2.410 174.798 177.300 -0.152 0.000 1.172 3058 P CA -0.739 62.245 63.100 -0.194 0.000 0.760 3058 P CB 0.179 31.796 31.700 -0.139 0.000 0.773 3059 P HA 0.063 nan 4.420 nan 0.000 0.226 3059 P C -0.616 176.597 177.300 -0.144 0.000 1.783 3059 P CA 0.465 63.476 63.100 -0.148 0.000 0.980 3059 P CB 0.009 31.621 31.700 -0.146 0.000 1.967 3060 L N -0.290 120.861 121.223 -0.121 0.000 2.358 3060 L HA 0.592 4.931 4.340 -0.002 0.000 0.268 3060 L C 1.694 178.504 176.870 -0.100 0.000 1.032 3060 L CA -0.407 54.372 54.840 -0.103 0.000 0.805 3060 L CB 0.640 42.652 42.059 -0.079 0.000 1.253 3060 L HN 0.283 nan 8.230 nan 0.000 0.452 3061 G N 1.560 110.306 108.800 -0.089 0.000 2.665 3061 G HA2 -0.300 3.658 3.960 -0.002 0.000 0.326 3061 G HA3 -0.300 3.658 3.960 -0.002 0.000 0.326 3061 G C -1.250 173.594 174.900 -0.093 0.000 1.231 3061 G CA 0.416 45.469 45.100 -0.078 0.000 0.992 3061 G HN 0.630 nan 8.290 nan 0.000 0.549 3062 P HA 0.087 nan 4.420 nan 0.000 0.230 3062 P C 1.822 179.069 177.300 -0.088 0.000 1.158 3062 P CA 1.067 64.137 63.100 -0.051 0.000 0.769 3062 P CB -0.095 31.594 31.700 -0.017 0.000 0.807 3063 L N -1.104 120.048 121.223 -0.119 0.000 2.591 3063 L HA 0.128 4.467 4.340 -0.002 0.000 0.228 3063 L C 1.709 178.424 176.870 -0.260 0.000 1.133 3063 L CA -0.196 54.552 54.840 -0.153 0.000 0.880 3063 L CB -0.383 41.603 42.059 -0.122 0.000 1.033 3063 L HN -0.070 nan 8.230 nan 0.000 0.450 3064 R N 0.623 120.929 120.500 -0.323 0.000 2.537 3064 R HA -0.003 4.336 4.340 -0.002 0.000 0.280 3064 R C -0.112 175.777 176.300 -0.686 0.000 1.058 3064 R CA -0.125 55.616 56.100 -0.597 0.000 1.057 3064 R CB 0.253 30.107 30.300 -0.743 0.000 0.973 3064 R HN 0.060 nan 8.270 nan 0.000 0.438 3065 F N -0.127 119.439 119.950 -0.639 0.000 3.057 3065 F HA -0.277 4.248 4.527 -0.002 0.000 0.287 3065 F C 0.191 174.914 175.800 -1.795 0.000 0.834 3065 F CA 1.374 58.622 58.000 -1.254 0.000 1.147 3065 F CB -2.678 36.069 39.000 -0.422 0.000 1.245 3065 F HN 0.648 nan 8.300 nan 0.000 0.509 3066 T N -2.693 111.153 114.554 -1.179 0.000 2.901 3066 T HA 0.791 5.139 4.350 -0.002 0.000 0.293 3066 T C -2.859 171.691 174.700 -0.250 0.000 1.084 3066 T CA -2.259 59.428 62.100 -0.689 0.000 1.008 3066 T CB 3.560 72.282 68.868 -0.243 0.000 1.170 3066 T HN -0.144 nan 8.240 nan 0.000 0.509 3067 P HA 0.249 nan 4.420 nan 0.000 0.269 3067 P C -2.462 174.913 177.300 0.126 0.000 1.215 3067 P CA -1.059 62.200 63.100 0.264 0.000 0.780 3067 P CB -0.648 31.209 31.700 0.261 0.000 0.898 3068 P HA 0.116 nan 4.420 nan 0.000 0.271 3068 P C -0.543 176.810 177.300 0.088 0.000 1.218 3068 P CA 0.220 63.376 63.100 0.094 0.000 0.780 3068 P CB 0.881 32.673 31.700 0.154 0.000 0.901 3069 Q N 2.303 122.129 119.800 0.044 0.000 2.301 3069 Q HA 0.429 4.768 4.340 -0.002 0.000 0.267 3069 Q C -2.160 173.874 176.000 0.055 0.000 1.035 3069 Q CA -2.279 53.553 55.803 0.048 0.000 0.856 3069 Q CB 1.552 30.300 28.738 0.016 0.000 1.337 3069 Q HN 0.416 nan 8.270 nan 0.000 0.450 3070 P HA -0.028 nan 4.420 nan 0.000 0.266 3070 P C -1.007 176.292 177.300 -0.003 0.000 1.195 3070 P CA 0.185 63.351 63.100 0.110 0.000 0.768 3070 P CB 0.513 32.297 31.700 0.141 0.000 0.838 3071 A N 3.009 125.803 122.820 -0.042 0.000 2.445 3071 A HA 0.132 4.451 4.320 -0.002 0.000 0.242 3071 A C 0.415 177.800 177.584 -0.331 0.000 1.075 3071 A CA -0.144 51.804 52.037 -0.149 0.000 0.777 3071 A CB -0.350 18.633 19.000 -0.029 0.000 1.013 3071 A HN 0.542 nan 8.150 nan 0.000 0.493 3072 E N 1.785 121.901 120.200 -0.140 0.000 2.354 3072 E HA 0.348 4.697 4.350 -0.002 0.000 0.269 3072 E C -2.058 174.513 176.600 -0.049 0.000 1.036 3072 E CA -1.137 55.204 56.400 -0.100 0.000 0.876 3072 E CB 0.580 30.278 29.700 -0.004 0.000 1.009 3072 E HN 0.521 nan 8.360 nan 0.000 0.416 3073 P HA 0.099 nan 4.420 nan 0.000 0.274 3073 P C -1.223 176.103 177.300 0.043 0.000 1.231 3073 P CA -0.340 62.675 63.100 -0.142 0.000 0.790 3073 P CB 0.370 31.988 31.700 -0.136 0.000 0.951 3074 W N 0.177 121.502 121.300 0.042 0.000 2.719 3074 W HA 0.610 5.269 4.660 -0.001 0.000 0.352 3074 W C 0.590 177.087 176.519 -0.036 0.000 1.085 3074 W CA -0.696 56.663 57.345 0.023 0.000 1.187 3074 W CB -0.090 29.411 29.460 0.068 0.000 1.417 3074 W HN 0.121 nan 8.180 nan 0.000 0.557 3075 S N 0.444 116.196 115.700 0.088 0.000 2.406 3075 S HA 0.066 4.535 4.470 -0.002 0.000 0.224 3075 S C 0.564 174.867 174.600 -0.494 0.000 1.030 3075 S CA 0.734 58.747 58.200 -0.312 0.000 0.958 3075 S CB -0.278 62.578 63.200 -0.574 0.000 0.811 3075 S HN 0.439 nan 8.310 nan 0.000 0.489 3076 F N 0.310 120.404 119.950 0.240 0.000 3.022 3076 F HA 0.472 4.998 4.527 -0.002 0.000 0.193 3076 F C 0.118 176.086 175.800 0.280 0.000 1.462 3076 F CA -0.985 57.131 58.000 0.193 0.000 0.914 3076 F CB -0.290 38.787 39.000 0.128 0.000 2.028 3076 F HN -0.295 nan 8.300 nan 0.000 0.451 3077 V N 1.169 121.353 119.914 0.450 0.000 2.370 3077 V HA 0.258 4.377 4.120 -0.002 0.000 0.283 3077 V C -0.312 175.914 176.094 0.219 0.000 1.023 3077 V CA -1.090 61.404 62.300 0.323 0.000 0.857 3077 V CB 1.008 32.960 31.823 0.214 0.000 0.985 3077 V HN 0.374 nan 8.190 nan 0.000 0.443 3078 K N 4.350 124.837 120.400 0.146 0.000 2.258 3078 K HA 0.203 4.521 4.320 -0.002 0.000 0.284 3078 K C 0.131 176.709 176.600 -0.037 0.000 1.051 3078 K CA -0.496 55.714 56.287 -0.128 0.000 0.923 3078 K CB 0.475 32.589 32.500 -0.643 0.000 1.046 3078 K HN 0.665 nan 8.250 nan 0.000 0.474 3079 N N 3.303 121.969 118.700 -0.055 0.000 2.405 3079 N HA 0.058 4.797 4.740 -0.002 0.000 0.260 3079 N C -1.248 174.217 175.510 -0.074 0.000 1.152 3079 N CA 0.037 53.059 53.050 -0.046 0.000 0.948 3079 N CB 1.012 39.465 38.487 -0.057 0.000 1.111 3079 N HN 0.609 nan 8.380 nan 0.000 0.485 3080 A N 3.049 125.847 122.820 -0.036 0.000 3.232 3080 A HA 0.261 4.579 4.320 -0.002 0.000 0.312 3080 A C 0.789 178.299 177.584 -0.123 0.000 1.185 3080 A CA -0.516 51.491 52.037 -0.051 0.000 1.011 3080 A CB -0.477 18.576 19.000 0.089 0.000 1.096 3080 A HN 0.648 nan 8.150 nan 0.000 0.543 3081 T N -2.796 111.658 114.554 -0.166 0.000 3.091 3081 T HA 0.317 4.665 4.350 -0.002 0.000 0.277 3081 T C 0.421 174.966 174.700 -0.258 0.000 0.996 3081 T CA 0.451 62.419 62.100 -0.218 0.000 0.897 3081 T CB -0.409 68.355 68.868 -0.173 0.000 1.109 3081 T HN 0.689 nan 8.240 nan 0.000 0.534 3082 S N 0.510 116.059 115.700 -0.251 0.000 2.513 3082 S HA 0.692 5.161 4.470 -0.002 0.000 0.299 3082 S C -0.935 173.501 174.600 -0.274 0.000 1.087 3082 S CA -0.945 57.114 58.200 -0.235 0.000 1.012 3082 S CB 0.769 63.890 63.200 -0.132 0.000 1.044 3082 S HN 0.218 nan 8.310 nan 0.000 0.485 3083 Y N 2.976 123.211 120.300 -0.108 0.000 2.610 3083 Y HA 0.276 4.824 4.550 -0.003 0.000 0.332 3083 Y C -1.406 174.386 175.900 -0.181 0.000 1.201 3083 Y CA -0.862 57.169 58.100 -0.115 0.000 1.465 3083 Y CB 0.133 38.545 38.460 -0.080 0.000 1.283 3083 Y HN 0.527 nan 8.280 nan 0.000 0.563 3084 P HA 0.186 nan 4.420 nan 0.000 0.276 3084 P C -2.659 174.558 177.300 -0.138 0.000 1.252 3084 P CA -1.675 61.249 63.100 -0.294 0.000 0.802 3084 P CB 0.802 32.214 31.700 -0.479 0.000 1.035 3085 P HA 0.190 nan 4.420 nan 0.000 0.274 3085 P C -0.223 177.042 177.300 -0.059 0.000 1.256 3085 P CA -0.103 62.942 63.100 -0.093 0.000 0.795 3085 P CB 0.465 32.108 31.700 -0.094 0.000 1.038 3086 M N -0.603 118.948 119.600 -0.081 0.000 2.478 3086 M HA 0.449 4.927 4.480 -0.002 0.000 0.327 3086 M C -0.445 175.780 176.300 -0.125 0.000 1.187 3086 M CA -0.734 54.513 55.300 -0.088 0.000 1.022 3086 M CB 0.609 33.140 32.600 -0.115 0.000 1.629 3086 M HN 0.085 nan 8.290 nan 0.000 0.461 3087 c N 2.000 120.519 118.600 -0.135 0.000 2.634 3087 c HA 0.128 4.696 4.570 -0.002 0.000 0.417 3087 c C 0.971 174.875 174.090 -0.311 0.000 1.334 3087 c CA -0.222 55.974 56.329 -0.222 0.000 1.829 3087 c CB -0.601 41.800 42.510 -0.182 0.000 2.665 3087 c HN 0.883 nan 8.230 nan 0.000 0.614 3088 T N 4.419 118.649 114.554 -0.542 0.000 2.903 3088 T HA 0.247 4.596 4.350 -0.002 0.000 0.299 3088 T C -0.053 174.387 174.700 -0.434 0.000 1.041 3088 T CA 0.467 62.182 62.100 -0.643 0.000 1.138 3088 T CB -0.170 67.912 68.868 -1.311 0.000 1.040 3088 T HN 0.910 nan 8.240 nan 0.000 0.524 3089 Q N 0.482 120.174 119.800 -0.179 0.000 2.829 3089 Q HA 0.267 4.606 4.340 -0.002 0.000 0.296 3089 Q C -1.688 174.331 176.000 0.032 0.000 0.893 3089 Q CA -1.165 54.641 55.803 0.003 0.000 0.772 3089 Q CB 0.791 29.523 28.738 -0.008 0.000 1.489 3089 Q HN 0.428 nan 8.270 nan 0.000 0.420 3090 D N 2.293 122.742 120.400 0.081 0.000 2.426 3090 D HA 0.010 4.649 4.640 -0.002 0.000 0.261 3090 D C -1.213 175.096 176.300 0.015 0.000 1.245 3090 D CA -1.008 53.030 54.000 0.064 0.000 0.917 3090 D CB 1.051 41.897 40.800 0.077 0.000 1.123 3090 D HN 0.330 nan 8.370 nan 0.000 0.508 3091 P HA -0.163 nan 4.420 nan 0.000 0.217 3091 P C 0.991 178.274 177.300 -0.028 0.000 1.150 3091 P CA 1.122 64.206 63.100 -0.025 0.000 0.832 3091 P CB 0.420 32.105 31.700 -0.025 0.000 0.787 3092 K N 0.021 120.412 120.400 -0.015 0.000 2.057 3092 K HA -0.022 4.297 4.320 -0.002 0.000 0.206 3092 K C 2.424 179.007 176.600 -0.029 0.000 1.050 3092 K CA 1.440 57.715 56.287 -0.021 0.000 0.935 3092 K CB -0.579 31.915 32.500 -0.011 0.000 0.715 3092 K HN 0.033 nan 8.250 nan 0.000 0.439 3093 A N 1.324 124.132 122.820 -0.020 0.000 1.898 3093 A HA -0.057 4.262 4.320 -0.002 0.000 0.216 3093 A C 2.446 179.998 177.584 -0.052 0.000 1.181 3093 A CA 1.798 53.817 52.037 -0.029 0.000 0.620 3093 A CB -1.162 17.838 19.000 -0.001 0.000 0.819 3093 A HN 0.412 nan 8.150 nan 0.000 0.442 3094 G N -0.944 107.828 108.800 -0.047 0.000 2.418 3094 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.217 3094 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.217 3094 G C 1.644 176.485 174.900 -0.099 0.000 1.158 3094 G CA 1.092 46.149 45.100 -0.072 0.000 0.771 3094 G HN 0.611 nan 8.290 nan 0.000 0.545 3095 Q N -0.634 119.114 119.800 -0.086 0.000 2.079 3095 Q HA -0.037 4.302 4.340 -0.002 0.000 0.200 3095 Q C 2.451 178.394 176.000 -0.096 0.000 0.974 3095 Q CA 1.013 56.761 55.803 -0.093 0.000 0.840 3095 Q CB -0.194 28.500 28.738 -0.073 0.000 0.898 3095 Q HN 0.392 nan 8.270 nan 0.000 0.430 3096 L N 0.646 121.818 121.223 -0.086 0.000 2.017 3096 L HA -0.179 4.160 4.340 -0.002 0.000 0.208 3096 L C 2.160 178.947 176.870 -0.137 0.000 1.073 3096 L CA 1.553 56.341 54.840 -0.086 0.000 0.745 3096 L CB -0.862 41.153 42.059 -0.073 0.000 0.894 3096 L HN 0.368 nan 8.230 nan 0.000 0.432 3097 L N -0.990 120.121 121.223 -0.186 0.000 2.042 3097 L HA -0.192 4.146 4.340 -0.002 0.000 0.210 3097 L C 2.717 179.392 176.870 -0.324 0.000 1.076 3097 L CA 2.166 56.809 54.840 -0.329 0.000 0.749 3097 L CB -1.095 40.794 42.059 -0.284 0.000 0.893 3097 L HN 0.484 nan 8.230 nan 0.000 0.432 3098 S N -0.928 114.645 115.700 -0.212 0.000 2.370 3098 S HA -0.238 4.230 4.470 -0.002 0.000 0.226 3098 S C 1.942 176.440 174.600 -0.169 0.000 1.033 3098 S CA 1.646 59.722 58.200 -0.207 0.000 1.011 3098 S CB -0.304 62.778 63.200 -0.197 0.000 0.852 3098 S HN 0.625 nan 8.310 nan 0.000 0.457 3099 E N 0.119 120.245 120.200 -0.123 0.000 2.153 3099 E HA -0.059 4.289 4.350 -0.002 0.000 0.194 3099 E C 1.973 178.580 176.600 0.012 0.000 0.988 3099 E CA 1.127 57.490 56.400 -0.061 0.000 0.811 3099 E CB -0.122 29.552 29.700 -0.044 0.000 0.746 3099 E HN 0.508 nan 8.360 nan 0.000 0.466 3100 L N -0.558 120.662 121.223 -0.005 0.000 2.240 3100 L HA -0.055 4.283 4.340 -0.002 0.000 0.211 3100 L C 1.628 178.757 176.870 0.433 0.000 1.106 3100 L CA 0.396 55.323 54.840 0.145 0.000 0.793 3100 L CB 0.043 42.110 42.059 0.013 0.000 0.927 3100 L HN 0.137 nan 8.230 nan 0.000 0.446 3101 F N -1.035 118.899 119.950 -0.027 0.000 2.678 3101 F HA 0.146 4.671 4.527 -0.002 0.000 0.291 3101 F C 1.649 177.154 175.800 -0.492 0.000 1.123 3101 F CA -0.464 57.388 58.000 -0.247 0.000 1.395 3101 F CB -0.736 38.117 39.000 -0.245 0.000 1.121 3101 F HN -0.174 nan 8.300 nan 0.000 0.592 3102 T N 2.194 116.620 114.554 -0.213 0.000 2.937 3102 T HA -0.048 4.300 4.350 -0.002 0.000 0.316 3102 T C 1.245 175.801 174.700 -0.241 0.000 1.079 3102 T CA 0.087 61.969 62.100 -0.363 0.000 1.131 3102 T CB 0.327 69.032 68.868 -0.271 0.000 1.000 3102 T HN 0.347 nan 8.240 nan 0.000 0.549 3103 N N 3.507 122.019 118.700 -0.314 0.000 2.236 3103 N HA 0.062 4.800 4.740 -0.002 0.000 0.196 3103 N C 0.310 175.717 175.510 -0.171 0.000 1.114 3103 N CA -0.221 52.696 53.050 -0.222 0.000 0.859 3103 N CB 0.097 38.448 38.487 -0.226 0.000 0.982 3103 N HN 0.496 nan 8.380 nan 0.000 0.493 3104 R N 0.652 121.060 120.500 -0.152 0.000 2.583 3104 R HA 0.204 4.543 4.340 -0.002 0.000 0.268 3104 R C 1.293 177.549 176.300 -0.074 0.000 1.101 3104 R CA -0.549 55.493 56.100 -0.097 0.000 1.180 3104 R CB 1.304 31.548 30.300 -0.095 0.000 1.128 3104 R HN 0.024 nan 8.270 nan 0.000 0.568 3105 K N 0.929 121.306 120.400 -0.039 0.000 2.057 3105 K HA -0.115 4.204 4.320 -0.002 0.000 0.206 3105 K C -0.320 176.268 176.600 -0.020 0.000 1.050 3105 K CA 1.479 57.755 56.287 -0.018 0.000 0.935 3105 K CB 0.307 32.809 32.500 0.004 0.000 0.715 3105 K HN 0.495 nan 8.250 nan 0.000 0.439 3106 E N 0.922 121.102 120.200 -0.033 0.000 2.248 3106 E HA 0.129 4.478 4.350 -0.002 0.000 0.267 3106 E C -1.309 175.246 176.600 -0.075 0.000 0.877 3106 E CA -0.728 55.648 56.400 -0.041 0.000 0.759 3106 E CB 1.535 31.218 29.700 -0.029 0.000 1.182 3106 E HN 0.152 nan 8.360 nan 0.000 0.418 3107 N N 3.415 122.066 118.700 -0.082 0.000 2.497 3107 N HA 0.096 4.834 4.740 -0.002 0.000 0.268 3107 N C -0.663 174.761 175.510 -0.142 0.000 1.171 3107 N CA 0.016 52.992 53.050 -0.123 0.000 0.948 3107 N CB 0.598 39.022 38.487 -0.106 0.000 1.069 3107 N HN 0.464 nan 8.380 nan 0.000 0.460 3108 I N 4.759 125.201 120.570 -0.213 0.000 2.371 3108 I HA 0.198 4.366 4.170 -0.002 0.000 0.290 3108 I C -1.938 174.055 176.117 -0.206 0.000 1.028 3108 I CA -1.890 59.263 61.300 -0.245 0.000 1.345 3108 I CB 1.187 38.907 38.000 -0.467 0.000 1.407 3108 I HN 0.356 nan 8.210 nan 0.000 0.501 3109 P HA 0.281 nan 4.420 nan 0.000 0.276 3109 P C -0.922 176.305 177.300 -0.123 0.000 1.235 3109 P CA -0.047 62.985 63.100 -0.115 0.000 0.772 3109 P CB 0.579 32.231 31.700 -0.080 0.000 0.871 3110 L N 2.678 123.829 121.223 -0.120 0.000 2.330 3110 L HA 0.535 4.874 4.340 -0.002 0.000 0.271 3110 L C 0.503 177.319 176.870 -0.089 0.000 1.013 3110 L CA -1.160 53.614 54.840 -0.110 0.000 0.816 3110 L CB 1.672 43.654 42.059 -0.127 0.000 1.287 3110 L HN 0.145 nan 8.230 nan 0.000 0.435 3111 K N 1.270 121.621 120.400 -0.081 0.000 2.087 3111 K HA 0.621 4.940 4.320 -0.002 0.000 0.255 3111 K C -0.891 175.654 176.600 -0.092 0.000 0.988 3111 K CA -0.240 56.000 56.287 -0.079 0.000 0.915 3111 K CB 1.075 33.531 32.500 -0.073 0.000 1.043 3111 K HN 0.364 nan 8.250 nan 0.000 0.457 3112 L N 0.956 122.121 121.223 -0.096 0.000 2.334 3112 L HA 0.590 4.929 4.340 -0.002 0.000 0.275 3112 L C -0.140 176.648 176.870 -0.135 0.000 1.036 3112 L CA -0.561 54.203 54.840 -0.126 0.000 0.807 3112 L CB 1.777 43.758 42.059 -0.129 0.000 1.231 3112 L HN 0.568 nan 8.230 nan 0.000 0.438 3113 S N 0.250 115.844 115.700 -0.177 0.000 2.580 3113 S HA 0.172 4.641 4.470 -0.002 0.000 0.281 3113 S C 0.019 174.472 174.600 -0.246 0.000 1.129 3113 S CA -0.605 57.491 58.200 -0.174 0.000 0.862 3113 S CB 1.463 64.601 63.200 -0.104 0.000 1.090 3113 S HN 0.754 nan 8.310 nan 0.000 0.451 3114 E N 0.928 120.972 120.200 -0.260 0.000 2.285 3114 E HA -0.041 4.308 4.350 -0.002 0.000 0.194 3114 E C -0.275 176.212 176.600 -0.189 0.000 0.997 3114 E CA 0.436 56.650 56.400 -0.311 0.000 0.845 3114 E CB 0.104 29.661 29.700 -0.239 0.000 0.782 3114 E HN 0.512 nan 8.360 nan 0.000 0.491 3115 D N 0.532 120.862 120.400 -0.117 0.000 2.517 3115 D HA -0.000 4.638 4.640 -0.002 0.000 0.220 3115 D C 0.062 176.397 176.300 0.058 0.000 1.158 3115 D CA -0.344 53.623 54.000 -0.055 0.000 0.992 3115 D CB -0.049 40.750 40.800 -0.002 0.000 1.058 3115 D HN 0.154 nan 8.370 nan 0.000 0.516 3116 c N 2.212 120.794 118.600 -0.030 0.000 3.657 3116 c HA 0.387 4.956 4.570 -0.002 0.000 0.291 3116 c C 0.786 174.870 174.090 -0.010 0.000 1.572 3116 c CA -0.696 55.687 56.329 0.089 0.000 1.818 3116 c CB -1.328 41.169 42.510 -0.022 0.000 2.903 3116 c HN 0.429 nan 8.230 nan 0.000 0.632 3117 L N 2.485 123.461 121.223 -0.411 0.000 2.382 3117 L HA 0.346 4.684 4.340 -0.002 0.000 0.259 3117 L C -0.734 175.480 176.870 -1.093 0.000 1.291 3117 L CA 0.618 55.016 54.840 -0.737 0.000 1.176 3117 L CB -0.828 40.666 42.059 -0.942 0.000 1.373 3117 L HN 0.411 nan 8.230 nan 0.000 0.426 3118 Y N 1.908 122.097 120.300 -0.186 0.000 2.634 3118 Y HA 0.716 5.265 4.550 -0.001 0.000 0.340 3118 Y C -0.168 175.861 175.900 0.214 0.000 1.058 3118 Y CA -1.264 56.810 58.100 -0.044 0.000 1.081 3118 Y CB 1.920 40.340 38.460 -0.067 0.000 1.295 3118 Y HN 0.155 nan 8.280 nan 0.000 0.487 3119 L N -0.325 121.065 121.223 0.277 0.000 2.424 3119 L HA 0.726 5.065 4.340 -0.002 0.000 0.258 3119 L C -1.572 175.337 176.870 0.064 0.000 0.995 3119 L CA -1.158 53.774 54.840 0.153 0.000 0.821 3119 L CB 1.771 43.824 42.059 -0.010 0.000 1.383 3119 L HN 0.401 nan 8.230 nan 0.000 0.410 3120 N N 2.038 120.803 118.700 0.109 0.000 2.361 3120 N HA 0.739 5.478 4.740 -0.002 0.000 0.302 3120 N C -1.121 174.397 175.510 0.014 0.000 1.074 3120 N CA -0.227 52.847 53.050 0.040 0.000 0.850 3120 N CB 2.517 41.089 38.487 0.141 0.000 1.228 3120 N HN 0.694 nan 8.380 nan 0.000 0.491 3121 I N 1.649 122.127 120.570 -0.154 0.000 2.509 3121 I HA 0.346 4.514 4.170 -0.002 0.000 0.293 3121 I C -1.146 174.842 176.117 -0.215 0.000 1.020 3121 I CA -0.795 60.467 61.300 -0.063 0.000 1.088 3121 I CB 1.351 39.266 38.000 -0.141 0.000 1.267 3121 I HN 0.343 nan 8.210 nan 0.000 0.430 3122 Y N 3.004 123.435 120.300 0.219 0.000 2.402 3122 Y HA 0.365 4.914 4.550 -0.003 0.000 0.325 3122 Y C 0.174 176.205 175.900 0.219 0.000 1.009 3122 Y CA -0.742 57.485 58.100 0.211 0.000 1.278 3122 Y CB 1.971 40.531 38.460 0.167 0.000 1.105 3122 Y HN 0.365 nan 8.280 nan 0.000 0.476 3123 T N 4.867 119.639 114.554 0.364 0.000 2.792 3123 T HA 0.358 4.706 4.350 -0.002 0.000 0.280 3123 T C -2.108 172.754 174.700 0.270 0.000 0.990 3123 T CA -2.355 59.936 62.100 0.319 0.000 0.960 3123 T CB 1.385 70.478 68.868 0.375 0.000 0.939 3123 T HN 0.358 nan 8.240 nan 0.000 0.439 3124 P HA 0.257 nan 4.420 nan 0.000 0.251 3124 P C 0.434 177.824 177.300 0.149 0.000 1.223 3124 P CA -0.121 63.068 63.100 0.149 0.000 0.796 3124 P CB 0.095 31.852 31.700 0.095 0.000 1.068 3125 A N 1.046 123.967 122.820 0.169 0.000 2.448 3125 A HA 0.076 4.395 4.320 -0.002 0.000 0.239 3125 A C -0.021 177.656 177.584 0.156 0.000 1.080 3125 A CA 0.065 52.190 52.037 0.146 0.000 0.779 3125 A CB -0.514 18.573 19.000 0.146 0.000 1.026 3125 A HN 0.017 nan 8.150 nan 0.000 0.499 3126 D N 1.266 121.735 120.400 0.116 0.000 2.441 3126 D HA 0.342 4.981 4.640 -0.002 0.000 0.221 3126 D C 0.949 177.318 176.300 0.114 0.000 1.156 3126 D CA -0.154 53.912 54.000 0.109 0.000 0.896 3126 D CB -0.094 40.746 40.800 0.067 0.000 1.028 3126 D HN 0.403 nan 8.370 nan 0.000 0.509 3127 L N 2.468 123.785 121.223 0.156 0.000 2.261 3127 L HA -0.126 4.213 4.340 -0.002 0.000 0.216 3127 L C 2.340 179.257 176.870 0.077 0.000 1.114 3127 L CA 1.340 56.250 54.840 0.117 0.000 0.777 3127 L CB -0.825 41.324 42.059 0.150 0.000 0.910 3127 L HN 0.536 nan 8.230 nan 0.000 0.440 3128 T N -3.661 110.946 114.554 0.087 0.000 3.113 3128 T HA -0.001 4.347 4.350 -0.002 0.000 0.263 3128 T C 0.971 175.694 174.700 0.038 0.000 1.143 3128 T CA 0.445 62.581 62.100 0.060 0.000 1.090 3128 T CB 0.122 69.028 68.868 0.063 0.000 0.922 3128 T HN 0.294 nan 8.240 nan 0.000 0.521 3129 K N 0.400 120.824 120.400 0.039 0.000 2.209 3129 K HA 0.597 4.915 4.320 -0.002 0.000 0.252 3129 K C -0.848 175.764 176.600 0.021 0.000 1.062 3129 K CA -1.056 55.247 56.287 0.027 0.000 1.003 3129 K CB 0.996 33.514 32.500 0.029 0.000 1.495 3129 K HN 0.010 nan 8.250 nan 0.000 0.641 3130 K N 1.420 121.830 120.400 0.017 0.000 2.450 3130 K HA 0.370 4.689 4.320 -0.002 0.000 0.257 3130 K C -1.271 175.341 176.600 0.021 0.000 0.953 3130 K CA -0.587 55.707 56.287 0.012 0.000 0.844 3130 K CB 1.349 33.851 32.500 0.003 0.000 1.103 3130 K HN 0.370 nan 8.250 nan 0.000 0.429 3131 N N 1.088 119.805 118.700 0.029 0.000 2.312 3131 N HA 0.446 5.184 4.740 -0.002 0.000 0.296 3131 N C -0.925 174.607 175.510 0.036 0.000 1.193 3131 N CA -1.080 51.993 53.050 0.038 0.000 0.773 3131 N CB 1.407 39.929 38.487 0.059 0.000 1.435 3131 N HN 0.236 nan 8.380 nan 0.000 0.484 3132 R N 1.365 121.885 120.500 0.033 0.000 2.674 3132 R HA 0.325 4.663 4.340 -0.002 0.000 0.270 3132 R C -0.969 175.351 176.300 0.033 0.000 1.492 3132 R CA -0.329 55.787 56.100 0.028 0.000 1.624 3132 R CB -0.000 30.305 30.300 0.008 0.000 1.307 3132 R HN 0.535 nan 8.270 nan 0.000 0.683 3133 L N 2.591 123.847 121.223 0.055 0.000 2.436 3133 L HA 0.374 4.713 4.340 -0.002 0.000 0.265 3133 L C -1.650 175.256 176.870 0.059 0.000 1.168 3133 L CA -1.740 53.136 54.840 0.059 0.000 0.815 3133 L CB 0.475 42.583 42.059 0.081 0.000 1.109 3133 L HN -0.047 nan 8.230 nan 0.000 0.462 3134 P HA 0.078 nan 4.420 nan 0.000 0.272 3134 P C -0.943 176.403 177.300 0.077 0.000 1.223 3134 P CA -0.159 62.968 63.100 0.046 0.000 0.784 3134 P CB 1.095 32.808 31.700 0.023 0.000 0.923 3135 V N 3.830 123.801 119.914 0.095 0.000 2.459 3135 V HA 0.414 4.533 4.120 -0.002 0.000 0.295 3135 V C 0.466 176.639 176.094 0.133 0.000 1.029 3135 V CA -0.434 61.944 62.300 0.131 0.000 0.874 3135 V CB 1.370 33.283 31.823 0.151 0.000 0.985 3135 V HN 0.485 nan 8.190 nan 0.000 0.438 3136 M N 4.608 124.307 119.600 0.165 0.000 2.134 3136 M HA 0.500 4.978 4.480 -0.002 0.000 0.310 3136 M C -1.167 175.403 176.300 0.450 0.000 0.966 3136 M CA -0.596 54.818 55.300 0.190 0.000 0.922 3136 M CB 2.019 34.602 32.600 -0.029 0.000 1.537 3136 M HN 0.372 nan 8.290 nan 0.000 0.424 3137 V N 3.464 123.662 119.914 0.473 0.000 2.350 3137 V HA 0.287 4.405 4.120 -0.002 0.000 0.276 3137 V C -0.622 175.772 176.094 0.500 0.000 1.028 3137 V CA -0.565 61.988 62.300 0.422 0.000 0.860 3137 V CB 1.093 33.046 31.823 0.217 0.000 0.990 3137 V HN 0.841 nan 8.190 nan 0.000 0.453 3138 W N 7.037 128.436 121.300 0.165 0.000 2.338 3138 W HA 0.590 5.248 4.660 -0.002 0.000 0.307 3138 W C -1.162 175.271 176.519 -0.144 0.000 1.167 3138 W CA -0.816 56.389 57.345 -0.232 0.000 1.208 3138 W CB 1.237 30.548 29.460 -0.248 0.000 1.228 3138 W HN 0.445 nan 8.180 nan 0.000 0.499 3139 I N 8.029 127.982 120.570 -1.027 0.000 2.371 3139 I HA 0.053 4.221 4.170 -0.002 0.000 0.282 3139 I C 1.042 176.467 176.117 -1.152 0.000 1.031 3139 I CA -0.779 60.057 61.300 -0.774 0.000 1.180 3139 I CB 0.681 38.344 38.000 -0.562 0.000 1.336 3139 I HN 0.401 nan 8.210 nan 0.000 0.467 3140 H N 4.639 123.310 119.070 -0.666 0.000 2.822 3140 H HA 0.351 4.906 4.556 -0.002 0.000 0.373 3140 H C -0.023 175.267 175.328 -0.064 0.000 1.223 3140 H CA -0.292 55.541 56.048 -0.358 0.000 1.436 3140 H CB 0.996 30.836 29.762 0.130 0.000 1.439 3140 H HN 0.595 nan 8.280 nan 0.000 0.618 3141 G N -1.735 107.227 108.800 0.270 0.000 2.642 3141 G HA2 0.478 4.437 3.960 -0.002 0.000 0.291 3141 G HA3 0.478 4.437 3.960 -0.002 0.000 0.291 3141 G C 0.256 175.428 174.900 0.454 0.000 1.345 3141 G CA -0.757 44.513 45.100 0.282 0.000 1.043 3141 G HN 1.168 nan 8.290 nan 0.000 0.528 3142 G N -2.676 106.321 108.800 0.328 0.000 2.321 3142 G HA2 0.414 4.373 3.960 -0.002 0.000 0.219 3142 G HA3 0.414 4.373 3.960 -0.002 0.000 0.219 3142 G C 1.011 176.011 174.900 0.166 0.000 1.057 3142 G CA 0.733 45.985 45.100 0.253 0.000 0.849 3142 G HN 2.307 nan 8.290 nan 0.000 0.520 3143 G N 0.024 108.910 108.800 0.143 0.000 2.212 3143 G HA2 -0.199 3.759 3.960 -0.002 0.000 0.267 3143 G HA3 -0.199 3.759 3.960 -0.002 0.000 0.267 3143 G C 1.157 176.047 174.900 -0.016 0.000 1.002 3143 G CA 0.775 45.910 45.100 0.058 0.000 0.729 3143 G HN 1.776 nan 8.290 nan 0.000 0.517 3144 L N -3.446 117.799 121.223 0.036 0.000 4.496 3144 L HA -0.268 4.070 4.340 -0.002 0.000 0.419 3144 L C 1.920 178.833 176.870 0.072 0.000 1.139 3144 L CA 1.576 56.421 54.840 0.009 0.000 0.975 3144 L CB -1.373 40.413 42.059 -0.455 0.000 2.099 3144 L HN 0.441 nan 8.230 nan 0.000 0.818 3145 M N -1.524 118.125 119.600 0.080 0.000 2.470 3145 M HA 0.336 4.814 4.480 -0.002 0.000 0.262 3145 M C 0.725 177.093 176.300 0.113 0.000 1.211 3145 M CA 1.084 56.438 55.300 0.091 0.000 1.125 3145 M CB 0.702 33.327 32.600 0.042 0.000 1.480 3145 M HN 0.213 nan 8.290 nan 0.000 0.541 3146 V N -2.727 117.252 119.914 0.108 0.000 3.165 3146 V HA 1.055 5.174 4.120 -0.002 0.000 0.309 3146 V C -0.254 175.903 176.094 0.106 0.000 1.267 3146 V CA -0.222 62.121 62.300 0.072 0.000 1.067 3146 V CB 1.280 33.125 31.823 0.037 0.000 1.082 3146 V HN 0.507 nan 8.190 nan 0.000 0.451 3147 G N -0.880 107.911 108.800 -0.016 0.000 2.392 3147 G HA2 0.624 4.583 3.960 -0.002 0.000 0.677 3147 G HA3 0.624 4.583 3.960 -0.002 0.000 0.677 3147 G C -0.646 173.921 174.900 -0.556 0.000 1.334 3147 G CA -0.173 44.808 45.100 -0.197 0.000 0.961 3147 G HN 2.751 nan 8.290 nan 0.000 0.616 3148 A N -1.314 120.971 122.820 -0.892 0.000 2.605 3148 A HA 1.019 5.338 4.320 -0.002 0.000 0.294 3148 A C 0.692 178.144 177.584 -0.219 0.000 1.062 3148 A CA 0.760 52.491 52.037 -0.511 0.000 0.682 3148 A CB 0.812 19.679 19.000 -0.222 0.000 1.278 3148 A HN 2.555 nan 8.150 nan 0.000 0.410 3149 A N 0.374 123.248 122.820 0.091 0.000 1.930 3149 A HA 0.149 4.467 4.320 -0.002 0.000 0.215 3149 A C 1.972 179.740 177.584 0.306 0.000 1.176 3149 A CA 2.226 54.469 52.037 0.344 0.000 0.632 3149 A CB -0.710 18.501 19.000 0.351 0.000 0.819 3149 A HN 1.187 nan 8.150 nan 0.000 0.445 3150 S N 0.014 115.814 115.700 0.167 0.000 2.465 3150 S HA -0.112 4.356 4.470 -0.002 0.000 0.241 3150 S C 1.772 176.317 174.600 -0.092 0.000 1.000 3150 S CA 1.525 59.792 58.200 0.112 0.000 0.964 3150 S CB -0.479 62.738 63.200 0.029 0.000 0.763 3150 S HN 0.694 nan 8.310 nan 0.000 0.512 3151 T N 0.764 115.215 114.554 -0.172 0.000 2.881 3151 T HA -0.047 4.301 4.350 -0.002 0.000 0.270 3151 T C -0.085 174.199 174.700 -0.692 0.000 1.068 3151 T CA 0.987 62.799 62.100 -0.481 0.000 1.131 3151 T CB -0.218 68.237 68.868 -0.689 0.000 0.871 3151 T HN 0.410 nan 8.240 nan 0.000 0.479 3152 Y N 1.562 121.694 120.300 -0.281 0.000 2.342 3152 Y HA 0.451 5.000 4.550 -0.001 0.000 0.338 3152 Y C 0.001 175.683 175.900 -0.364 0.000 0.965 3152 Y CA -2.130 55.636 58.100 -0.558 0.000 1.159 3152 Y CB 0.542 38.366 38.460 -1.059 0.000 1.157 3152 Y HN -0.110 nan 8.280 nan 0.000 0.486 3153 D N 2.321 122.577 120.400 -0.240 0.000 2.280 3153 D HA 0.198 4.837 4.640 -0.002 0.000 0.243 3153 D C 0.872 176.948 176.300 -0.375 0.000 1.129 3153 D CA -0.067 53.788 54.000 -0.243 0.000 0.848 3153 D CB 1.706 42.443 40.800 -0.106 0.000 1.107 3153 D HN 0.877 nan 8.370 nan 0.000 0.471 3154 G N 3.608 111.781 108.800 -1.045 0.000 3.141 3154 G HA2 -0.054 3.904 3.960 -0.002 0.000 0.218 3154 G HA3 -0.054 3.904 3.960 -0.002 0.000 0.218 3154 G C 1.520 176.188 174.900 -0.387 0.000 1.170 3154 G CA -0.227 44.471 45.100 -0.671 0.000 0.769 3154 G HN 0.550 nan 8.290 nan 0.000 0.546 3155 L N 0.506 121.553 121.223 -0.294 0.000 1.990 3155 L HA -0.177 4.162 4.340 -0.002 0.000 0.213 3155 L C 3.120 179.959 176.870 -0.052 0.000 1.072 3155 L CA 1.942 56.772 54.840 -0.017 0.000 0.755 3155 L CB -0.295 41.791 42.059 0.046 0.000 0.889 3155 L HN 0.327 nan 8.230 nan 0.000 0.432 3156 A N -0.348 122.440 122.820 -0.053 0.000 1.851 3156 A HA -0.279 4.040 4.320 -0.002 0.000 0.216 3156 A C 2.114 179.650 177.584 -0.080 0.000 1.195 3156 A CA 1.960 53.966 52.037 -0.052 0.000 0.622 3156 A CB -0.998 17.978 19.000 -0.041 0.000 0.831 3156 A HN 0.471 nan 8.150 nan 0.000 0.444 3157 L N -0.175 120.986 121.223 -0.103 0.000 2.042 3157 L HA -0.113 4.225 4.340 -0.002 0.000 0.210 3157 L C 2.669 179.517 176.870 -0.036 0.000 1.076 3157 L CA 2.331 57.107 54.840 -0.107 0.000 0.749 3157 L CB -0.949 41.012 42.059 -0.164 0.000 0.893 3157 L HN 0.381 nan 8.230 nan 0.000 0.432 3158 A N -0.513 122.301 122.820 -0.009 0.000 1.858 3158 A HA -0.123 4.195 4.320 -0.002 0.000 0.216 3158 A C 2.451 180.028 177.584 -0.011 0.000 1.190 3158 A CA 2.185 54.246 52.037 0.039 0.000 0.617 3158 A CB -1.290 17.780 19.000 0.116 0.000 0.827 3158 A HN 0.588 nan 8.150 nan 0.000 0.443 3159 A N -1.324 121.423 122.820 -0.121 0.000 1.873 3159 A HA -0.164 4.155 4.320 -0.002 0.000 0.215 3159 A C 2.064 179.496 177.584 -0.254 0.000 1.186 3159 A CA 1.481 53.313 52.037 -0.341 0.000 0.616 3159 A CB -0.988 17.501 19.000 -0.852 0.000 0.823 3159 A HN 0.707 nan 8.150 nan 0.000 0.442 3160 H N -0.877 118.039 119.070 -0.256 0.000 2.389 3160 H HA -0.030 4.525 4.556 -0.003 0.000 0.299 3160 H C 1.029 176.353 175.328 -0.008 0.000 1.081 3160 H CA 1.459 57.470 56.048 -0.061 0.000 1.345 3160 H CB 0.281 29.919 29.762 -0.207 0.000 1.393 3160 H HN 0.429 nan 8.280 nan 0.000 0.520 3161 E N 0.137 120.388 120.200 0.085 0.000 2.498 3161 E HA -0.005 4.344 4.350 -0.002 0.000 0.203 3161 E C 0.009 176.641 176.600 0.053 0.000 1.013 3161 E CA -0.237 56.199 56.400 0.060 0.000 0.927 3161 E CB 0.047 29.771 29.700 0.040 0.000 1.012 3161 E HN 0.357 nan 8.360 nan 0.000 0.482 3162 N N 0.897 119.629 118.700 0.054 0.000 2.696 3162 N HA -0.163 4.575 4.740 -0.002 0.000 0.256 3162 N C -0.592 174.956 175.510 0.064 0.000 1.031 3162 N CA 0.646 53.733 53.050 0.061 0.000 0.730 3162 N CB -0.880 37.643 38.487 0.061 0.000 0.894 3162 N HN 0.035 nan 8.380 nan 0.000 0.544 3163 V N -2.689 117.267 119.914 0.071 0.000 3.040 3163 V HA 0.722 4.841 4.120 -0.002 0.000 0.312 3163 V C 0.358 176.525 176.094 0.122 0.000 1.115 3163 V CA -0.911 61.438 62.300 0.081 0.000 0.998 3163 V CB 2.213 34.069 31.823 0.057 0.000 1.042 3163 V HN -0.112 nan 8.190 nan 0.000 0.433 3164 V N 3.050 123.051 119.914 0.144 0.000 2.406 3164 V HA 0.415 4.533 4.120 -0.002 0.000 0.272 3164 V C 0.134 176.362 176.094 0.222 0.000 1.043 3164 V CA -0.226 62.191 62.300 0.196 0.000 0.915 3164 V CB 1.218 33.158 31.823 0.196 0.000 0.988 3164 V HN 0.737 nan 8.190 nan 0.000 0.466 3165 V N 6.165 126.250 119.914 0.286 0.000 2.427 3165 V HA 0.496 4.614 4.120 -0.002 0.000 0.286 3165 V C -0.131 176.218 176.094 0.425 0.000 1.034 3165 V CA -0.476 62.033 62.300 0.348 0.000 0.893 3165 V CB 1.843 33.853 31.823 0.312 0.000 0.982 3165 V HN 0.594 nan 8.190 nan 0.000 0.452 3166 V N 3.841 123.996 119.914 0.402 0.000 2.483 3166 V HA 0.503 4.622 4.120 -0.002 0.000 0.297 3166 V C 0.095 176.420 176.094 0.384 0.000 1.027 3166 V CA -0.529 61.976 62.300 0.341 0.000 0.855 3166 V CB 2.156 34.121 31.823 0.236 0.000 0.995 3166 V HN 1.001 nan 8.190 nan 0.000 0.424 3167 T N 3.675 118.465 114.554 0.393 0.000 2.771 3167 T HA 0.811 5.160 4.350 -0.002 0.000 0.281 3167 T C -0.393 174.488 174.700 0.303 0.000 0.982 3167 T CA -0.499 61.846 62.100 0.409 0.000 0.978 3167 T CB 1.303 70.450 68.868 0.465 0.000 0.930 3167 T HN 0.665 nan 8.240 nan 0.000 0.447 3168 I N 0.210 120.938 120.570 0.264 0.000 2.863 3168 I HA 0.676 4.844 4.170 -0.002 0.000 0.311 3168 I C -0.607 175.719 176.117 0.349 0.000 1.026 3168 I CA -1.292 60.145 61.300 0.228 0.000 1.077 3168 I CB 2.007 40.038 38.000 0.052 0.000 1.262 3168 I HN 0.560 nan 8.210 nan 0.000 0.461 3169 Q N 1.984 122.025 119.800 0.402 0.000 2.416 3169 Q HA 0.609 4.948 4.340 -0.002 0.000 0.279 3169 Q C -1.897 174.357 176.000 0.423 0.000 1.101 3169 Q CA -0.811 55.201 55.803 0.348 0.000 0.830 3169 Q CB 2.819 31.709 28.738 0.253 0.000 1.402 3169 Q HN 0.727 nan 8.270 nan 0.000 0.445 3170 Y N -2.849 117.582 120.300 0.218 0.000 2.592 3170 Y HA 0.506 5.054 4.550 -0.002 0.000 0.334 3170 Y C -0.979 174.995 175.900 0.125 0.000 1.136 3170 Y CA -1.435 56.764 58.100 0.166 0.000 1.042 3170 Y CB 0.746 39.264 38.460 0.096 0.000 1.325 3170 Y HN 0.411 nan 8.280 nan 0.000 0.457 3171 R N 2.023 122.628 120.500 0.174 0.000 2.640 3171 R HA 0.377 4.716 4.340 -0.002 0.000 0.270 3171 R C -0.878 175.538 176.300 0.194 0.000 1.024 3171 R CA 0.204 56.370 56.100 0.109 0.000 1.085 3171 R CB 0.220 30.594 30.300 0.122 0.000 0.963 3171 R HN 0.686 nan 8.270 nan 0.000 0.426 3172 L N 1.097 122.452 121.223 0.219 0.000 2.286 3172 L HA 0.491 4.829 4.340 -0.002 0.000 0.265 3172 L C 1.301 178.476 176.870 0.508 0.000 1.012 3172 L CA -0.487 54.573 54.840 0.367 0.000 0.818 3172 L CB 1.568 43.733 42.059 0.176 0.000 1.337 3172 L HN 0.892 nan 8.230 nan 0.000 0.438 3173 G N 0.536 109.617 108.800 0.468 0.000 2.652 3173 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.318 3173 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.318 3173 G C 0.865 176.016 174.900 0.419 0.000 1.295 3173 G CA 0.768 46.081 45.100 0.354 0.000 0.999 3173 G HN 0.650 nan 8.290 nan 0.000 0.548 3174 I N -0.396 120.343 120.570 0.282 0.000 2.163 3174 I HA -0.186 3.983 4.170 -0.002 0.000 0.243 3174 I C 2.823 179.149 176.117 0.349 0.000 1.085 3174 I CA 2.262 63.666 61.300 0.173 0.000 1.347 3174 I CB -0.318 37.529 38.000 -0.254 0.000 1.044 3174 I HN 0.552 nan 8.210 nan 0.000 0.408 3175 W N 0.562 122.030 121.300 0.280 0.000 2.363 3175 W HA -0.082 4.577 4.660 -0.002 0.000 0.296 3175 W C 2.374 179.015 176.519 0.203 0.000 1.212 3175 W CA 1.170 58.595 57.345 0.134 0.000 1.260 3175 W CB -0.827 28.620 29.460 -0.022 0.000 1.131 3175 W HN 0.238 nan 8.180 nan 0.000 0.530 3176 G N -1.873 107.186 108.800 0.431 0.000 2.662 3176 G HA2 -0.013 3.946 3.960 -0.002 0.000 0.212 3176 G HA3 -0.013 3.946 3.960 -0.002 0.000 0.212 3176 G C 0.697 175.290 174.900 -0.512 0.000 1.141 3176 G CA 0.206 45.302 45.100 -0.007 0.000 0.797 3176 G HN 0.145 nan 8.290 nan 0.000 0.531 3177 F N -0.886 119.299 119.950 0.391 0.000 2.880 3177 F HA 0.411 4.937 4.527 -0.003 0.000 0.328 3177 F C 0.123 176.028 175.800 0.175 0.000 1.146 3177 F CA -1.632 56.471 58.000 0.171 0.000 1.135 3177 F CB 0.272 39.291 39.000 0.033 0.000 1.151 3177 F HN -0.015 nan 8.300 nan 0.000 0.523 3178 F N 2.061 122.214 119.950 0.338 0.000 2.578 3178 F HA 0.368 4.893 4.527 -0.002 0.000 0.381 3178 F C 0.462 176.342 175.800 0.133 0.000 1.069 3178 F CA 0.367 58.457 58.000 0.150 0.000 1.231 3178 F CB 0.491 39.440 39.000 -0.084 0.000 1.086 3178 F HN -0.075 nan 8.300 nan 0.000 0.564 3179 S N 3.534 118.757 115.700 -0.795 0.000 2.571 3179 S HA 0.329 4.797 4.470 -0.002 0.000 0.284 3179 S C 0.366 174.538 174.600 -0.713 0.000 1.128 3179 S CA -0.084 57.772 58.200 -0.574 0.000 0.970 3179 S CB 1.406 64.430 63.200 -0.294 0.000 1.039 3179 S HN 0.816 nan 8.310 nan 0.000 0.485 3180 T N 0.811 115.103 114.554 -0.437 0.000 3.086 3180 T HA 0.389 4.737 4.350 -0.002 0.000 0.250 3180 T C 1.467 176.092 174.700 -0.127 0.000 1.074 3180 T CA 0.625 62.574 62.100 -0.252 0.000 0.988 3180 T CB -0.026 68.813 68.868 -0.049 0.000 0.988 3180 T HN 1.759 nan 8.240 nan 0.000 0.530 3181 G N 2.098 110.819 108.800 -0.131 0.000 2.176 3181 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.253 3181 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.253 3181 G C -0.256 174.614 174.900 -0.051 0.000 0.979 3181 G CA 0.361 45.410 45.100 -0.085 0.000 0.641 3181 G HN 0.939 nan 8.290 nan 0.000 0.530 3182 D N -1.942 118.439 120.400 -0.031 0.000 2.867 3182 D HA 0.458 5.096 4.640 -0.002 0.000 0.308 3182 D C 1.307 177.583 176.300 -0.039 0.000 1.202 3182 D CA 0.009 53.993 54.000 -0.027 0.000 1.035 3182 D CB -0.328 40.473 40.800 0.001 0.000 1.427 3182 D HN 0.098 nan 8.370 nan 0.000 0.570 3183 E N -0.312 119.815 120.200 -0.121 0.000 2.333 3183 E HA -0.224 4.124 4.350 -0.002 0.000 0.198 3183 E C 0.764 177.294 176.600 -0.116 0.000 1.007 3183 E CA 1.148 57.464 56.400 -0.140 0.000 0.845 3183 E CB -0.579 28.998 29.700 -0.205 0.000 0.766 3183 E HN 0.519 nan 8.360 nan 0.000 0.507 3184 H N 0.340 119.469 119.070 0.100 0.000 2.547 3184 H HA 0.187 4.741 4.556 -0.002 0.000 0.272 3184 H C 0.256 175.703 175.328 0.198 0.000 0.989 3184 H CA 0.957 57.082 56.048 0.127 0.000 1.214 3184 H CB 0.477 30.297 29.762 0.097 0.000 1.389 3184 H HN 0.088 nan 8.280 nan 0.000 0.577 3185 S N -0.328 115.550 115.700 0.296 0.000 2.862 3185 S HA 0.143 4.612 4.470 -0.002 0.000 0.148 3185 S C 0.800 175.528 174.600 0.214 0.000 0.829 3185 S CA -0.568 57.899 58.200 0.444 0.000 0.991 3185 S CB 0.085 63.503 63.200 0.363 0.000 1.607 3185 S HN 0.199 nan 8.310 nan 0.000 0.474 3186 R N 1.515 122.085 120.500 0.116 0.000 2.091 3186 R HA 0.168 4.507 4.340 -0.002 0.000 0.238 3186 R C 1.466 177.529 176.300 -0.394 0.000 1.136 3186 R CA 1.319 57.321 56.100 -0.163 0.000 0.959 3186 R CB -0.230 29.961 30.300 -0.182 0.000 0.856 3186 R HN 0.890 nan 8.270 nan 0.000 0.437 3187 G N -0.352 107.911 108.800 -0.896 0.000 2.466 3187 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.316 3187 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.316 3187 G C -0.644 173.497 174.900 -1.264 0.000 1.270 3187 G CA -0.379 44.111 45.100 -1.016 0.000 0.982 3187 G HN 0.256 nan 8.290 nan 0.000 0.506 3188 N N -1.055 117.247 118.700 -0.663 0.000 2.725 3188 N HA -0.198 4.541 4.740 -0.002 0.000 0.249 3188 N C 1.079 176.309 175.510 -0.467 0.000 1.103 3188 N CA 1.979 54.822 53.050 -0.346 0.000 0.707 3188 N CB -1.519 36.922 38.487 -0.077 0.000 1.043 3188 N HN 0.702 nan 8.380 nan 0.000 0.553 3189 W N 0.135 121.283 121.300 -0.254 0.000 2.363 3189 W HA -0.014 4.645 4.660 -0.002 0.000 0.296 3189 W C 2.428 178.809 176.519 -0.229 0.000 1.212 3189 W CA 0.685 57.931 57.345 -0.166 0.000 1.260 3189 W CB -0.585 28.822 29.460 -0.088 0.000 1.131 3189 W HN 0.285 nan 8.180 nan 0.000 0.530 3190 G N -0.247 108.290 108.800 -0.440 0.000 2.432 3190 G HA2 -0.235 3.723 3.960 -0.002 0.000 0.219 3190 G HA3 -0.235 3.723 3.960 -0.002 0.000 0.219 3190 G C 1.254 176.099 174.900 -0.091 0.000 1.135 3190 G CA 1.135 46.100 45.100 -0.225 0.000 0.767 3190 G HN 0.297 nan 8.290 nan 0.000 0.550 3191 H N 0.197 119.253 119.070 -0.023 0.000 2.395 3191 H HA 0.145 4.700 4.556 -0.002 0.000 0.299 3191 H C 2.676 178.000 175.328 -0.007 0.000 1.070 3191 H CA 0.562 56.592 56.048 -0.029 0.000 1.356 3191 H CB -0.158 29.605 29.762 0.002 0.000 1.401 3191 H HN 0.268 nan 8.280 nan 0.000 0.524 3192 L N 0.469 121.779 121.223 0.145 0.000 2.141 3192 L HA -0.138 4.200 4.340 -0.002 0.000 0.209 3192 L C 1.884 178.858 176.870 0.173 0.000 1.094 3192 L CA 0.871 55.800 54.840 0.149 0.000 0.763 3192 L CB -0.199 41.969 42.059 0.181 0.000 0.908 3192 L HN 0.101 nan 8.230 nan 0.000 0.437 3193 D N -0.057 120.462 120.400 0.198 0.000 2.144 3193 D HA -0.170 4.469 4.640 -0.002 0.000 0.200 3193 D C 2.278 178.697 176.300 0.199 0.000 0.978 3193 D CA 1.030 55.208 54.000 0.297 0.000 0.833 3193 D CB -0.048 40.962 40.800 0.351 0.000 0.961 3193 D HN 0.408 nan 8.370 nan 0.000 0.470 3194 Q N 0.139 119.988 119.800 0.081 0.000 2.119 3194 Q HA -0.068 4.271 4.340 -0.002 0.000 0.201 3194 Q C 2.364 178.334 176.000 -0.050 0.000 0.972 3194 Q CA 0.725 56.498 55.803 -0.049 0.000 0.847 3194 Q CB 0.102 28.767 28.738 -0.122 0.000 0.903 3194 Q HN 0.133 nan 8.270 nan 0.000 0.433 3195 V N 0.945 120.873 119.914 0.023 0.000 2.358 3195 V HA -0.261 3.857 4.120 -0.002 0.000 0.246 3195 V C 2.259 178.386 176.094 0.055 0.000 1.047 3195 V CA 1.745 64.071 62.300 0.044 0.000 1.035 3195 V CB -0.939 30.931 31.823 0.078 0.000 0.658 3195 V HN 0.400 nan 8.190 nan 0.000 0.452 3196 A N 0.084 122.963 122.820 0.098 0.000 1.908 3196 A HA -0.153 4.165 4.320 -0.002 0.000 0.218 3196 A C 2.410 180.019 177.584 0.041 0.000 1.181 3196 A CA 2.179 54.315 52.037 0.166 0.000 0.627 3196 A CB -0.749 18.454 19.000 0.339 0.000 0.818 3196 A HN 0.575 nan 8.150 nan 0.000 0.445 3197 A N -0.448 122.156 122.820 -0.359 0.000 1.930 3197 A HA 0.026 4.345 4.320 -0.002 0.000 0.217 3197 A C 2.125 179.633 177.584 -0.126 0.000 1.175 3197 A CA 1.360 52.985 52.037 -0.686 0.000 0.627 3197 A CB -0.519 17.808 19.000 -1.121 0.000 0.815 3197 A HN 0.471 nan 8.150 nan 0.000 0.443 3198 L N -1.302 119.888 121.223 -0.056 0.000 2.141 3198 L HA -0.111 4.228 4.340 -0.002 0.000 0.209 3198 L C 2.753 179.678 176.870 0.091 0.000 1.094 3198 L CA 1.390 56.255 54.840 0.042 0.000 0.763 3198 L CB -0.385 41.700 42.059 0.043 0.000 0.908 3198 L HN 0.441 nan 8.230 nan 0.000 0.437 3199 R N -0.524 120.037 120.500 0.102 0.000 2.090 3199 R HA -0.217 4.122 4.340 -0.002 0.000 0.228 3199 R C 2.240 178.630 176.300 0.151 0.000 1.110 3199 R CA 1.480 57.647 56.100 0.112 0.000 0.973 3199 R CB -0.328 30.047 30.300 0.124 0.000 0.869 3199 R HN 0.379 nan 8.270 nan 0.000 0.440 3200 W N 0.337 121.654 121.300 0.028 0.000 2.358 3200 W HA -0.182 4.477 4.660 -0.002 0.000 0.303 3200 W C 1.629 178.168 176.519 0.033 0.000 1.208 3200 W CA 1.210 58.591 57.345 0.061 0.000 1.274 3200 W CB -0.136 29.389 29.460 0.109 0.000 1.138 3200 W HN -0.156 nan 8.180 nan 0.000 0.515 3201 V N 1.000 121.127 119.914 0.356 0.000 2.343 3201 V HA -0.345 3.773 4.120 -0.002 0.000 0.247 3201 V C 2.538 178.634 176.094 0.002 0.000 1.051 3201 V CA 2.040 64.468 62.300 0.214 0.000 1.036 3201 V CB -0.978 30.983 31.823 0.229 0.000 0.654 3201 V HN 0.210 nan 8.190 nan 0.000 0.451 3202 Q N -0.231 119.577 119.800 0.014 0.000 2.124 3202 Q HA -0.202 4.137 4.340 -0.002 0.000 0.202 3202 Q C 1.949 177.892 176.000 -0.095 0.000 0.977 3202 Q CA 1.625 57.419 55.803 -0.015 0.000 0.850 3202 Q CB -0.457 28.285 28.738 0.006 0.000 0.901 3202 Q HN 0.668 nan 8.270 nan 0.000 0.429 3203 D N -0.541 119.751 120.400 -0.180 0.000 2.289 3203 D HA -0.006 4.632 4.640 -0.002 0.000 0.207 3203 D C 1.111 177.189 176.300 -0.370 0.000 0.966 3203 D CA 0.515 54.362 54.000 -0.255 0.000 0.868 3203 D CB 0.155 40.789 40.800 -0.276 0.000 0.943 3203 D HN 0.285 nan 8.370 nan 0.000 0.514 3204 N N -0.143 118.231 118.700 -0.543 0.000 2.297 3204 N HA 0.023 4.762 4.740 -0.002 0.000 0.208 3204 N C 1.644 177.036 175.510 -0.198 0.000 1.176 3204 N CA -0.199 52.516 53.050 -0.557 0.000 0.882 3204 N CB 0.910 38.632 38.487 -1.276 0.000 1.134 3204 N HN -0.017 nan 8.380 nan 0.000 0.489 3205 I N 2.786 123.279 120.570 -0.127 0.000 2.315 3205 I HA -0.220 3.949 4.170 -0.002 0.000 0.251 3205 I C 2.248 178.459 176.117 0.157 0.000 1.125 3205 I CA 0.815 62.182 61.300 0.112 0.000 1.392 3205 I CB -0.293 37.768 38.000 0.103 0.000 1.065 3205 I HN 0.086 nan 8.210 nan 0.000 0.424 3206 A N -1.053 121.794 122.820 0.045 0.000 1.978 3206 A HA -0.227 4.092 4.320 -0.002 0.000 0.220 3206 A C 2.433 180.022 177.584 0.008 0.000 1.170 3206 A CA 2.143 54.194 52.037 0.024 0.000 0.636 3206 A CB -0.974 18.013 19.000 -0.022 0.000 0.810 3206 A HN 0.465 nan 8.150 nan 0.000 0.448 3207 S N -1.202 114.479 115.700 -0.032 0.000 2.447 3207 S HA -0.024 4.444 4.470 -0.002 0.000 0.233 3207 S C 0.770 175.167 174.600 -0.339 0.000 1.006 3207 S CA 0.905 58.984 58.200 -0.201 0.000 0.957 3207 S CB -0.376 62.633 63.200 -0.318 0.000 0.773 3207 S HN 0.579 nan 8.310 nan 0.000 0.507 3208 F N 0.606 120.528 119.950 -0.046 0.000 2.641 3208 F HA 0.376 4.901 4.527 -0.003 0.000 0.302 3208 F C 1.642 177.475 175.800 0.056 0.000 1.098 3208 F CA -0.061 57.932 58.000 -0.010 0.000 1.318 3208 F CB 0.062 39.051 39.000 -0.018 0.000 1.035 3208 F HN 0.224 nan 8.300 nan 0.000 0.551 3209 G N 0.273 109.161 108.800 0.146 0.000 2.143 3209 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.249 3209 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.249 3209 G C 0.596 175.571 174.900 0.126 0.000 0.981 3209 G CA -0.181 44.992 45.100 0.122 0.000 0.665 3209 G HN 0.744 nan 8.290 nan 0.000 0.528 3210 G N -0.600 108.288 108.800 0.147 0.000 2.437 3210 G HA2 0.507 4.466 3.960 -0.002 0.000 0.319 3210 G HA3 0.507 4.466 3.960 -0.002 0.000 0.319 3210 G C -0.357 174.591 174.900 0.080 0.000 1.158 3210 G CA -0.106 45.069 45.100 0.125 0.000 0.899 3210 G HN 0.498 nan 8.290 nan 0.000 0.502 3211 N N 1.229 119.968 118.700 0.065 0.000 2.501 3211 N HA 0.311 5.050 4.740 -0.002 0.000 0.245 3211 N C -1.272 174.264 175.510 0.043 0.000 0.974 3211 N CA -2.529 50.541 53.050 0.033 0.000 0.941 3211 N CB 2.155 40.647 38.487 0.008 0.000 1.122 3211 N HN 0.096 nan 8.380 nan 0.000 0.507 3212 P HA -0.012 nan 4.420 nan 0.000 0.228 3212 P C 0.937 178.296 177.300 0.098 0.000 1.151 3212 P CA 0.668 63.810 63.100 0.070 0.000 0.770 3212 P CB 0.153 31.872 31.700 0.032 0.000 0.786 3213 G N -0.656 108.132 108.800 -0.020 0.000 2.813 3213 G HA2 -0.040 3.919 3.960 -0.002 0.000 0.209 3213 G HA3 -0.040 3.919 3.960 -0.002 0.000 0.209 3213 G C 0.620 175.199 174.900 -0.535 0.000 1.150 3213 G CA 0.186 45.160 45.100 -0.209 0.000 0.785 3213 G HN 0.379 nan 8.290 nan 0.000 0.535 3214 S N 0.177 115.785 115.700 -0.153 0.000 2.216 3214 S HA 0.501 4.970 4.470 -0.002 0.000 0.156 3214 S C -0.947 173.769 174.600 0.193 0.000 1.665 3214 S CA -0.456 57.715 58.200 -0.049 0.000 1.262 3214 S CB 0.466 63.624 63.200 -0.071 0.000 1.207 3214 S HN -0.063 nan 8.310 nan 0.000 0.427 3215 V N 3.608 123.810 119.914 0.480 0.000 2.398 3215 V HA 0.542 4.660 4.120 -0.002 0.000 0.286 3215 V C 0.183 176.410 176.094 0.221 0.000 1.026 3215 V CA -0.407 62.056 62.300 0.272 0.000 0.868 3215 V CB 1.840 33.793 31.823 0.216 0.000 0.982 3215 V HN 0.685 nan 8.190 nan 0.000 0.443 3216 T N 6.435 121.085 114.554 0.160 0.000 2.779 3216 T HA 0.612 4.961 4.350 -0.002 0.000 0.280 3216 T C -0.190 174.612 174.700 0.170 0.000 0.987 3216 T CA -0.180 62.002 62.100 0.136 0.000 0.966 3216 T CB 0.892 69.787 68.868 0.045 0.000 0.933 3216 T HN 0.611 nan 8.240 nan 0.000 0.442 3217 I N 1.739 122.388 120.570 0.130 0.000 2.359 3217 I HA 0.871 5.039 4.170 -0.002 0.000 0.294 3217 I C -0.920 175.361 176.117 0.273 0.000 0.987 3217 I CA -1.036 60.336 61.300 0.119 0.000 1.225 3217 I CB 0.986 38.845 38.000 -0.234 0.000 1.366 3217 I HN 0.486 nan 8.210 nan 0.000 0.466 3218 F N 3.165 123.130 119.950 0.025 0.000 2.631 3218 F HA 1.012 5.537 4.527 -0.002 0.000 0.308 3218 F C -0.437 175.271 175.800 -0.153 0.000 1.097 3218 F CA -1.414 56.630 58.000 0.074 0.000 0.952 3218 F CB 1.318 40.499 39.000 0.301 0.000 1.307 3218 F HN 0.839 nan 8.300 nan 0.000 0.450 3219 G N 1.260 109.854 108.800 -0.343 0.000 2.576 3219 G HA2 0.555 4.514 3.960 -0.002 0.000 0.290 3219 G HA3 0.555 4.514 3.960 -0.002 0.000 0.290 3219 G C -2.385 172.245 174.900 -0.451 0.000 1.442 3219 G CA -0.785 43.673 45.100 -1.070 0.000 0.792 3219 G HN 1.095 nan 8.290 nan 0.000 0.491 3220 E N -0.666 119.275 120.200 -0.431 0.000 2.288 3220 E HA 0.791 5.140 4.350 -0.002 0.000 0.268 3220 E C 0.470 177.059 176.600 -0.020 0.000 0.885 3220 E CA 0.094 56.458 56.400 -0.061 0.000 0.767 3220 E CB 1.879 31.623 29.700 0.074 0.000 1.220 3220 E HN 1.055 nan 8.360 nan 0.000 0.427 3221 S N 1.222 116.976 115.700 0.090 0.000 4.069 3221 S HA -0.333 4.135 4.470 -0.002 0.000 0.626 3221 S C 1.465 176.149 174.600 0.141 0.000 2.000 3221 S CA 1.524 59.876 58.200 0.253 0.000 4.174 3221 S CB -1.802 61.614 63.200 0.361 0.000 0.210 3221 S HN 1.447 nan 8.310 nan 0.000 0.602 3222 A N 0.761 123.658 122.820 0.128 0.000 1.986 3222 A HA 0.068 4.387 4.320 -0.002 0.000 0.220 3222 A C 2.305 179.853 177.584 -0.059 0.000 1.171 3222 A CA 2.645 54.703 52.037 0.034 0.000 0.640 3222 A CB -1.423 17.608 19.000 0.053 0.000 0.811 3222 A HN 1.526 nan 8.150 nan 0.000 0.451 3223 G N -0.947 107.781 108.800 -0.121 0.000 2.448 3223 G HA2 0.110 4.069 3.960 -0.002 0.000 0.218 3223 G HA3 0.110 4.069 3.960 -0.002 0.000 0.218 3223 G C 1.421 176.163 174.900 -0.263 0.000 1.135 3223 G CA 1.141 46.057 45.100 -0.307 0.000 0.784 3223 G HN 0.676 nan 8.290 nan 0.000 0.543 3224 G N 0.323 109.036 108.800 -0.145 0.000 2.394 3224 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.215 3224 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.215 3224 G C 1.540 176.406 174.900 -0.056 0.000 1.165 3224 G CA 1.022 46.080 45.100 -0.070 0.000 0.784 3224 G HN 0.420 nan 8.290 nan 0.000 0.535 3225 E N 0.985 121.157 120.200 -0.046 0.000 2.106 3225 E HA -0.093 4.256 4.350 -0.002 0.000 0.192 3225 E C 2.523 179.056 176.600 -0.111 0.000 0.984 3225 E CA 1.123 57.486 56.400 -0.062 0.000 0.806 3225 E CB -0.188 29.483 29.700 -0.048 0.000 0.750 3225 E HN 0.336 nan 8.360 nan 0.000 0.458 3226 S N 0.178 115.808 115.700 -0.116 0.000 2.368 3226 S HA -0.114 4.354 4.470 -0.002 0.000 0.225 3226 S C 2.129 176.585 174.600 -0.239 0.000 1.030 3226 S CA 1.112 59.225 58.200 -0.146 0.000 0.999 3226 S CB -0.209 62.883 63.200 -0.180 0.000 0.844 3226 S HN 0.137 nan 8.310 nan 0.000 0.459 3227 V N 1.298 121.069 119.914 -0.239 0.000 2.343 3227 V HA -0.161 3.957 4.120 -0.002 0.000 0.247 3227 V C 2.576 178.498 176.094 -0.288 0.000 1.051 3227 V CA 1.959 64.082 62.300 -0.295 0.000 1.036 3227 V CB -0.772 30.924 31.823 -0.212 0.000 0.654 3227 V HN 0.537 nan 8.190 nan 0.000 0.451 3228 S N -0.640 114.961 115.700 -0.165 0.000 2.368 3228 S HA -0.157 4.311 4.470 -0.002 0.000 0.225 3228 S C 1.962 176.452 174.600 -0.182 0.000 1.030 3228 S CA 1.765 59.893 58.200 -0.120 0.000 0.999 3228 S CB -0.131 63.047 63.200 -0.038 0.000 0.844 3228 S HN 0.336 nan 8.310 nan 0.000 0.459 3229 V N 2.003 121.784 119.914 -0.222 0.000 2.427 3229 V HA -0.088 4.031 4.120 -0.002 0.000 0.248 3229 V C 2.301 178.274 176.094 -0.201 0.000 1.051 3229 V CA 1.562 63.708 62.300 -0.257 0.000 1.048 3229 V CB -0.590 30.962 31.823 -0.452 0.000 0.666 3229 V HN 0.478 nan 8.190 nan 0.000 0.456 3230 L N -0.627 120.466 121.223 -0.217 0.000 2.083 3230 L HA -0.138 4.201 4.340 -0.002 0.000 0.209 3230 L C 2.427 179.374 176.870 0.129 0.000 1.083 3230 L CA 0.988 55.761 54.840 -0.111 0.000 0.752 3230 L CB -0.639 41.234 42.059 -0.309 0.000 0.899 3230 L HN 0.195 nan 8.230 nan 0.000 0.433 3231 V N 0.124 120.049 119.914 0.019 0.000 2.594 3231 V HA -0.230 3.889 4.120 -0.002 0.000 0.253 3231 V C 2.034 178.198 176.094 0.115 0.000 1.069 3231 V CA 1.395 63.828 62.300 0.222 0.000 1.082 3231 V CB -0.223 31.492 31.823 -0.180 0.000 0.680 3231 V HN 0.395 nan 8.190 nan 0.000 0.469 3232 L N -0.845 120.366 121.223 -0.020 0.000 2.607 3232 L HA 0.204 4.542 4.340 -0.002 0.000 0.228 3232 L C 0.996 177.839 176.870 -0.045 0.000 1.123 3232 L CA 0.159 54.975 54.840 -0.041 0.000 0.890 3232 L CB 0.242 42.254 42.059 -0.078 0.000 1.103 3232 L HN 0.207 nan 8.230 nan 0.000 0.468 3233 S N 0.572 116.272 115.700 -0.001 0.000 2.462 3233 S HA 0.339 4.808 4.470 -0.002 0.000 0.294 3233 S C -1.452 173.205 174.600 0.094 0.000 1.144 3233 S CA -1.555 56.662 58.200 0.028 0.000 1.088 3233 S CB 1.255 64.475 63.200 0.035 0.000 1.009 3233 S HN -0.070 nan 8.310 nan 0.000 0.484 3234 P HA -0.052 nan 4.420 nan 0.000 0.223 3234 P C 1.392 178.771 177.300 0.133 0.000 1.151 3234 P CA 0.752 63.903 63.100 0.084 0.000 0.787 3234 P CB 0.060 31.778 31.700 0.030 0.000 0.788 3235 L N -0.663 120.625 121.223 0.109 0.000 2.275 3235 L HA -0.047 4.292 4.340 -0.002 0.000 0.215 3235 L C 2.306 179.244 176.870 0.113 0.000 1.119 3235 L CA 1.263 56.160 54.840 0.095 0.000 0.790 3235 L CB -0.728 41.376 42.059 0.075 0.000 0.919 3235 L HN -0.031 nan 8.230 nan 0.000 0.443 3236 A N 0.239 123.169 122.820 0.183 0.000 2.387 3236 A HA 0.065 4.383 4.320 -0.002 0.000 0.234 3236 A C 0.762 178.293 177.584 -0.089 0.000 1.253 3236 A CA -0.404 51.732 52.037 0.164 0.000 0.894 3236 A CB -0.329 18.879 19.000 0.347 0.000 0.963 3236 A HN 0.351 nan 8.150 nan 0.000 0.508 3237 K N 0.596 120.949 120.400 -0.078 0.000 2.489 3237 K HA 0.051 4.370 4.320 -0.002 0.000 0.278 3237 K C -0.107 176.298 176.600 -0.325 0.000 1.000 3237 K CA 0.353 56.431 56.287 -0.349 0.000 1.012 3237 K CB 0.050 32.579 32.500 0.048 0.000 0.903 3237 K HN 0.124 nan 8.250 nan 0.000 0.485 3238 N N 1.134 119.551 118.700 -0.471 0.000 2.828 3238 N HA -0.193 4.546 4.740 -0.002 0.000 0.248 3238 N C 0.101 175.427 175.510 -0.308 0.000 1.044 3238 N CA 1.407 54.263 53.050 -0.322 0.000 0.851 3238 N CB -1.268 37.138 38.487 -0.135 0.000 1.136 3238 N HN 0.692 nan 8.380 nan 0.000 0.572 3239 L N -1.098 119.913 121.223 -0.353 0.000 2.554 3239 L HA 0.229 4.567 4.340 -0.002 0.000 0.225 3239 L C 0.368 177.183 176.870 -0.091 0.000 1.104 3239 L CA 0.349 55.117 54.840 -0.120 0.000 0.866 3239 L CB -0.028 42.066 42.059 0.058 0.000 1.047 3239 L HN 0.177 nan 8.230 nan 0.000 0.468 3240 F N -4.349 115.301 119.950 -0.500 0.000 2.686 3240 F HA 0.461 4.987 4.527 -0.002 0.000 0.311 3240 F C 0.333 175.658 175.800 -0.792 0.000 1.128 3240 F CA -1.011 56.675 58.000 -0.524 0.000 0.946 3240 F CB 0.792 39.650 39.000 -0.237 0.000 1.336 3240 F HN -0.134 nan 8.300 nan 0.000 0.457 3241 H N -0.145 118.949 119.070 0.040 0.000 3.233 3241 H HA 0.446 5.001 4.556 -0.002 0.000 0.263 3241 H C -0.478 174.857 175.328 0.012 0.000 1.168 3241 H CA -0.140 55.871 56.048 -0.061 0.000 1.159 3241 H CB 0.834 30.555 29.762 -0.069 0.000 1.593 3241 H HN 0.540 nan 8.280 nan 0.000 0.580 3242 R N 0.305 120.925 120.500 0.201 0.000 2.629 3242 R HA 0.701 5.040 4.340 -0.002 0.000 0.266 3242 R C -1.436 175.021 176.300 0.262 0.000 1.051 3242 R CA -0.691 55.491 56.100 0.138 0.000 0.895 3242 R CB 2.450 32.669 30.300 -0.134 0.000 1.246 3242 R HN 0.101 nan 8.270 nan 0.000 0.459 3243 A N 2.478 125.483 122.820 0.309 0.000 2.475 3243 A HA 0.830 5.149 4.320 -0.002 0.000 0.301 3243 A C -1.091 176.696 177.584 0.339 0.000 1.059 3243 A CA -0.725 51.405 52.037 0.155 0.000 0.710 3243 A CB 1.338 20.178 19.000 -0.267 0.000 1.288 3243 A HN 0.611 nan 8.150 nan 0.000 0.408 3244 I N 1.323 122.041 120.570 0.246 0.000 2.500 3244 I HA 0.317 4.486 4.170 -0.002 0.000 0.286 3244 I C -0.370 175.889 176.117 0.237 0.000 1.063 3244 I CA -0.293 61.124 61.300 0.194 0.000 1.062 3244 I CB 2.296 40.337 38.000 0.068 0.000 1.223 3244 I HN 0.467 nan 8.210 nan 0.000 0.435 3245 S N 5.096 120.916 115.700 0.200 0.000 2.474 3245 S HA 0.372 4.840 4.470 -0.002 0.000 0.321 3245 S C -0.469 174.187 174.600 0.094 0.000 1.080 3245 S CA -0.631 57.642 58.200 0.121 0.000 1.106 3245 S CB 1.009 64.263 63.200 0.090 0.000 0.984 3245 S HN 0.487 nan 8.310 nan 0.000 0.464 3246 E N 1.790 122.084 120.200 0.156 0.000 2.092 3246 E HA 0.361 4.709 4.350 -0.002 0.000 0.271 3246 E C -0.469 176.187 176.600 0.093 0.000 0.919 3246 E CA -0.546 55.980 56.400 0.210 0.000 0.760 3246 E CB 1.052 30.971 29.700 0.364 0.000 1.106 3246 E HN 0.623 nan 8.360 nan 0.000 0.408 3247 S N 1.952 117.681 115.700 0.048 0.000 3.697 3247 S HA -0.125 4.343 4.470 -0.002 0.000 0.388 3247 S C 0.034 174.802 174.600 0.281 0.000 0.941 3247 S CA 0.512 58.745 58.200 0.055 0.000 1.247 3247 S CB -1.140 61.987 63.200 -0.121 0.000 0.904 3247 S HN 0.956 nan 8.310 nan 0.000 0.518 3248 G N -0.920 108.031 108.800 0.251 0.000 2.169 3248 G HA2 0.510 4.469 3.960 -0.002 0.000 0.286 3248 G HA3 0.510 4.469 3.960 -0.002 0.000 0.286 3248 G C -0.870 174.069 174.900 0.064 0.000 1.742 3248 G CA 0.097 45.333 45.100 0.226 0.000 0.904 3248 G HN 1.517 nan 8.290 nan 0.000 0.735 3249 V N -0.674 119.243 119.914 0.005 0.000 3.182 3249 V HA 0.926 5.045 4.120 -0.002 0.000 0.308 3249 V C 1.308 177.355 176.094 -0.079 0.000 1.240 3249 V CA -0.068 62.208 62.300 -0.040 0.000 1.063 3249 V CB 1.182 32.965 31.823 -0.067 0.000 1.076 3249 V HN 2.155 nan 8.190 nan 0.000 0.446 3250 A N -0.181 122.585 122.820 -0.091 0.000 2.178 3250 A HA 0.138 4.457 4.320 -0.002 0.000 0.218 3250 A C 1.531 179.039 177.584 -0.126 0.000 1.157 3250 A CA 1.521 53.489 52.037 -0.115 0.000 0.689 3250 A CB -0.716 18.210 19.000 -0.122 0.000 0.787 3250 A HN 0.822 nan 8.150 nan 0.000 0.465 3251 L N -0.357 120.789 121.223 -0.128 0.000 2.592 3251 L HA 0.043 4.382 4.340 -0.002 0.000 0.227 3251 L C 0.246 176.997 176.870 -0.198 0.000 1.127 3251 L CA 0.078 54.827 54.840 -0.151 0.000 0.884 3251 L CB -0.146 41.834 42.059 -0.132 0.000 1.065 3251 L HN 0.111 nan 8.230 nan 0.000 0.457 3252 T N 0.541 114.973 114.554 -0.202 0.000 3.474 3252 T HA 0.023 4.372 4.350 -0.002 0.000 0.270 3252 T C 1.534 176.078 174.700 -0.260 0.000 1.079 3252 T CA 0.263 62.195 62.100 -0.280 0.000 1.110 3252 T CB 0.420 69.120 68.868 -0.280 0.000 1.087 3252 T HN 0.418 nan 8.240 nan 0.000 0.784 3253 S N 2.643 118.177 115.700 -0.278 0.000 2.408 3253 S HA -0.217 4.251 4.470 -0.002 0.000 0.241 3253 S C 2.174 176.642 174.600 -0.220 0.000 1.080 3253 S CA 1.686 59.734 58.200 -0.254 0.000 1.109 3253 S CB -0.964 62.052 63.200 -0.307 0.000 0.966 3253 S HN 0.504 nan 8.310 nan 0.000 0.449 3254 V N 1.611 121.384 119.914 -0.235 0.000 2.453 3254 V HA -0.085 4.033 4.120 -0.002 0.000 0.252 3254 V C 2.057 178.062 176.094 -0.149 0.000 1.068 3254 V CA 2.046 64.237 62.300 -0.182 0.000 1.070 3254 V CB -0.560 31.157 31.823 -0.177 0.000 0.664 3254 V HN 0.657 nan 8.190 nan 0.000 0.461 3255 L N -0.328 120.800 121.223 -0.158 0.000 2.591 3255 L HA 0.179 4.517 4.340 -0.002 0.000 0.228 3255 L C 0.178 176.960 176.870 -0.146 0.000 1.133 3255 L CA -0.064 54.684 54.840 -0.152 0.000 0.880 3255 L CB 0.394 42.372 42.059 -0.135 0.000 1.033 3255 L HN 0.148 nan 8.230 nan 0.000 0.450 3256 V N 0.633 120.466 119.914 -0.136 0.000 2.409 3256 V HA 0.284 4.403 4.120 -0.002 0.000 0.291 3256 V C -0.143 175.889 176.094 -0.103 0.000 1.020 3256 V CA -0.982 61.249 62.300 -0.114 0.000 0.848 3256 V CB 1.756 33.508 31.823 -0.119 0.000 0.990 3256 V HN 0.008 nan 8.190 nan 0.000 0.430 3257 K N 5.741 126.092 120.400 -0.082 0.000 2.285 3257 K HA 0.387 4.706 4.320 -0.002 0.000 0.286 3257 K C -0.092 176.470 176.600 -0.063 0.000 1.072 3257 K CA -0.512 55.734 56.287 -0.068 0.000 0.913 3257 K CB 1.425 33.891 32.500 -0.057 0.000 1.067 3257 K HN 0.701 nan 8.250 nan 0.000 0.479 3258 K N 1.007 121.371 120.400 -0.059 0.000 2.208 3258 K HA 0.678 4.997 4.320 -0.002 0.000 0.247 3258 K C 0.425 177.004 176.600 -0.035 0.000 0.953 3258 K CA -0.298 55.957 56.287 -0.052 0.000 0.837 3258 K CB 1.486 33.949 32.500 -0.061 0.000 1.131 3258 K HN 0.588 nan 8.250 nan 0.000 0.431 3259 G N 1.450 110.232 108.800 -0.030 0.000 2.542 3259 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.235 3259 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.235 3259 G C -1.310 173.576 174.900 -0.023 0.000 1.286 3259 G CA 0.203 45.291 45.100 -0.020 0.000 0.904 3259 G HN 0.880 nan 8.290 nan 0.000 0.577 3260 D N 0.317 120.707 120.400 -0.016 0.000 2.336 3260 D HA 0.426 5.064 4.640 -0.002 0.000 0.249 3260 D C 1.710 177.995 176.300 -0.025 0.000 1.213 3260 D CA 0.543 54.531 54.000 -0.020 0.000 0.870 3260 D CB 1.194 41.988 40.800 -0.011 0.000 1.076 3260 D HN 1.200 nan 8.370 nan 0.000 0.483 3261 V N 2.059 121.946 119.914 -0.044 0.000 3.541 3261 V HA 0.079 4.198 4.120 -0.002 0.000 0.267 3261 V C 2.044 178.100 176.094 -0.063 0.000 1.213 3261 V CA 0.430 62.696 62.300 -0.057 0.000 1.149 3261 V CB -0.409 31.360 31.823 -0.090 0.000 0.822 3261 V HN 0.307 nan 8.190 nan 0.000 0.462 3262 K N 2.139 122.510 120.400 -0.050 0.000 2.074 3262 K HA -0.073 4.245 4.320 -0.002 0.000 0.209 3262 K C -0.165 176.426 176.600 -0.014 0.000 1.048 3262 K CA 2.383 58.647 56.287 -0.038 0.000 0.926 3262 K CB -1.614 30.875 32.500 -0.018 0.000 0.713 3262 K HN 0.460 nan 8.250 nan 0.000 0.444 3263 P HA -0.142 nan 4.420 nan 0.000 0.217 3263 P C 1.336 178.652 177.300 0.026 0.000 1.150 3263 P CA 0.962 64.069 63.100 0.012 0.000 0.832 3263 P CB 0.054 31.761 31.700 0.012 0.000 0.787 3264 L N -1.014 120.224 121.223 0.024 0.000 2.072 3264 L HA -0.116 4.222 4.340 -0.002 0.000 0.205 3264 L C 2.212 179.131 176.870 0.082 0.000 1.079 3264 L CA 1.569 56.444 54.840 0.058 0.000 0.752 3264 L CB -0.858 41.233 42.059 0.054 0.000 0.906 3264 L HN -0.048 nan 8.230 nan 0.000 0.436 3265 A N 0.091 122.923 122.820 0.020 0.000 1.892 3265 A HA -0.291 4.028 4.320 -0.002 0.000 0.218 3265 A C 1.992 179.683 177.584 0.179 0.000 1.188 3265 A CA 2.128 54.198 52.037 0.055 0.000 0.631 3265 A CB -0.622 18.290 19.000 -0.147 0.000 0.822 3265 A HN 0.576 nan 8.150 nan 0.000 0.447 3266 E N -0.978 119.278 120.200 0.093 0.000 2.110 3266 E HA -0.247 4.101 4.350 -0.002 0.000 0.193 3266 E C 2.249 178.892 176.600 0.071 0.000 0.988 3266 E CA 1.256 57.703 56.400 0.079 0.000 0.804 3266 E CB -0.175 29.552 29.700 0.046 0.000 0.745 3266 E HN 0.850 nan 8.360 nan 0.000 0.458 3267 Q N 0.813 120.655 119.800 0.070 0.000 2.167 3267 Q HA -0.146 4.193 4.340 -0.002 0.000 0.202 3267 Q C 2.035 178.073 176.000 0.064 0.000 0.970 3267 Q CA 1.012 56.847 55.803 0.053 0.000 0.855 3267 Q CB 0.067 28.832 28.738 0.046 0.000 0.911 3267 Q HN 0.314 nan 8.270 nan 0.000 0.438 3268 I N 0.425 121.066 120.570 0.118 0.000 2.333 3268 I HA -0.167 4.002 4.170 -0.002 0.000 0.246 3268 I C 2.408 178.551 176.117 0.043 0.000 1.106 3268 I CA 0.734 62.106 61.300 0.119 0.000 1.411 3268 I CB -0.359 37.784 38.000 0.240 0.000 1.082 3268 I HN 0.288 nan 8.210 nan 0.000 0.420 3269 A N 1.274 124.129 122.820 0.059 0.000 1.877 3269 A HA -0.182 4.136 4.320 -0.002 0.000 0.216 3269 A C 2.275 179.854 177.584 -0.007 0.000 1.186 3269 A CA 1.513 53.549 52.037 -0.003 0.000 0.620 3269 A CB -0.828 18.194 19.000 0.036 0.000 0.822 3269 A HN 0.358 nan 8.150 nan 0.000 0.443 3270 I N -0.385 120.192 120.570 0.011 0.000 2.286 3270 I HA -0.214 3.954 4.170 -0.002 0.000 0.248 3270 I C 2.429 178.542 176.117 -0.007 0.000 1.115 3270 I CA 1.703 63.004 61.300 0.002 0.000 1.392 3270 I CB -0.521 37.483 38.000 0.008 0.000 1.065 3270 I HN 0.258 nan 8.210 nan 0.000 0.418 3271 T N 0.588 115.138 114.554 -0.006 0.000 2.867 3271 T HA -0.056 4.292 4.350 -0.002 0.000 0.268 3271 T C 1.797 176.484 174.700 -0.021 0.000 1.057 3271 T CA 1.277 63.368 62.100 -0.015 0.000 1.136 3271 T CB -0.153 68.705 68.868 -0.018 0.000 0.874 3271 T HN 0.461 nan 8.240 nan 0.000 0.466 3272 A N 0.366 123.168 122.820 -0.030 0.000 2.238 3272 A HA 0.518 4.836 4.320 -0.002 0.000 0.208 3272 A C 1.790 179.351 177.584 -0.038 0.000 1.177 3272 A CA 0.686 52.697 52.037 -0.043 0.000 0.804 3272 A CB -0.668 18.285 19.000 -0.078 0.000 0.823 3272 A HN 0.707 nan 8.150 nan 0.000 0.482 3273 G N -1.820 106.963 108.800 -0.028 0.000 2.149 3273 G HA2 -0.227 3.731 3.960 -0.002 0.000 0.235 3273 G HA3 -0.227 3.731 3.960 -0.002 0.000 0.235 3273 G C 0.056 174.941 174.900 -0.025 0.000 1.018 3273 G CA 0.040 45.126 45.100 -0.023 0.000 0.728 3273 G HN 0.590 nan 8.290 nan 0.000 0.508 3274 c N 0.119 118.702 118.600 -0.028 0.000 2.399 3274 c HA 0.711 5.279 4.570 -0.002 0.000 0.348 3274 c C 0.927 175.011 174.090 -0.009 0.000 1.183 3274 c CA -0.873 55.441 56.329 -0.026 0.000 2.023 3274 c CB 1.507 43.990 42.510 -0.045 0.000 2.361 3274 c HN 0.508 nan 8.230 nan 0.000 0.521 3275 K N 0.647 121.046 120.400 -0.002 0.000 2.126 3275 K HA 0.363 4.682 4.320 -0.002 0.000 0.257 3275 K C 0.601 177.208 176.600 0.012 0.000 1.007 3275 K CA 0.133 56.424 56.287 0.006 0.000 0.928 3275 K CB 0.725 33.230 32.500 0.008 0.000 1.013 3275 K HN 0.855 nan 8.250 nan 0.000 0.473 3276 T N -2.303 112.260 114.554 0.015 0.000 3.266 3276 T HA 0.059 4.408 4.350 -0.002 0.000 0.278 3276 T C 1.029 175.739 174.700 0.017 0.000 1.010 3276 T CA -0.426 61.687 62.100 0.022 0.000 0.909 3276 T CB 0.027 68.911 68.868 0.026 0.000 1.122 3276 T HN 0.433 nan 8.240 nan 0.000 0.536 3277 T N 2.686 117.247 114.554 0.011 0.000 2.699 3277 T HA -0.037 4.311 4.350 -0.002 0.000 0.268 3277 T C 1.207 175.908 174.700 0.003 0.000 1.036 3277 T CA 1.891 63.995 62.100 0.006 0.000 1.147 3277 T CB -0.371 68.498 68.868 0.002 0.000 0.862 3277 T HN 0.848 nan 8.240 nan 0.000 0.446 3278 T N -2.542 112.010 114.554 -0.002 0.000 2.762 3278 T HA 0.489 4.837 4.350 -0.002 0.000 0.301 3278 T C 0.919 175.611 174.700 -0.012 0.000 1.299 3278 T CA -0.399 61.693 62.100 -0.012 0.000 1.005 3278 T CB 1.628 70.469 68.868 -0.046 0.000 1.377 3278 T HN -0.169 nan 8.240 nan 0.000 0.504 3279 S N 0.468 116.161 115.700 -0.011 0.000 2.348 3279 S HA -0.017 4.451 4.470 -0.002 0.000 0.221 3279 S C 2.524 177.092 174.600 -0.053 0.000 1.033 3279 S CA 1.385 59.602 58.200 0.028 0.000 1.010 3279 S CB -1.051 62.241 63.200 0.154 0.000 0.891 3279 S HN 0.974 nan 8.310 nan 0.000 0.442 3280 A N 1.088 123.708 122.820 -0.334 0.000 1.940 3280 A HA -0.080 4.238 4.320 -0.002 0.000 0.219 3280 A C 2.328 179.868 177.584 -0.074 0.000 1.176 3280 A CA 1.610 53.444 52.037 -0.339 0.000 0.631 3280 A CB -0.908 17.747 19.000 -0.575 0.000 0.814 3280 A HN 0.351 nan 8.150 nan 0.000 0.446 3281 V N -0.346 119.536 119.914 -0.053 0.000 2.427 3281 V HA -0.279 3.840 4.120 -0.002 0.000 0.248 3281 V C 2.600 178.723 176.094 0.048 0.000 1.051 3281 V CA 2.099 64.413 62.300 0.023 0.000 1.048 3281 V CB -0.622 31.204 31.823 0.004 0.000 0.666 3281 V HN 0.576 nan 8.190 nan 0.000 0.456 3282 M N -0.828 118.794 119.600 0.035 0.000 2.099 3282 M HA -0.136 4.343 4.480 -0.002 0.000 0.262 3282 M C 2.219 178.515 176.300 -0.007 0.000 1.067 3282 M CA 1.574 56.894 55.300 0.033 0.000 1.124 3282 M CB -0.410 32.252 32.600 0.103 0.000 1.353 3282 M HN 0.230 nan 8.290 nan 0.000 0.410 3283 V N -0.542 119.403 119.914 0.052 0.000 2.295 3283 V HA -0.298 3.820 4.120 -0.002 0.000 0.246 3283 V C 2.287 178.420 176.094 0.065 0.000 1.049 3283 V CA 2.380 64.699 62.300 0.032 0.000 1.024 3283 V CB -1.045 30.866 31.823 0.147 0.000 0.648 3283 V HN 0.490 nan 8.190 nan 0.000 0.447 3284 H N -0.644 118.433 119.070 0.011 0.000 2.352 3284 H HA -0.226 4.329 4.556 -0.002 0.000 0.299 3284 H C 2.339 177.668 175.328 0.001 0.000 1.097 3284 H CA 2.292 58.347 56.048 0.013 0.000 1.311 3284 H CB -0.638 29.122 29.762 -0.005 0.000 1.377 3284 H HN 0.475 nan 8.280 nan 0.000 0.504 3285 c N -0.160 118.372 118.600 -0.113 0.000 2.453 3285 c HA -0.046 4.523 4.570 -0.002 0.000 0.277 3285 c C 2.764 176.761 174.090 -0.155 0.000 1.262 3285 c CA 0.910 57.142 56.329 -0.161 0.000 1.718 3285 c CB -1.425 41.045 42.510 -0.066 0.000 2.031 3285 c HN 0.663 nan 8.230 nan 0.000 0.480 3286 L N 0.235 121.377 121.223 -0.134 0.000 2.191 3286 L HA -0.073 4.265 4.340 -0.002 0.000 0.212 3286 L C 2.913 179.788 176.870 0.008 0.000 1.103 3286 L CA 1.267 56.036 54.840 -0.117 0.000 0.769 3286 L CB -0.628 41.241 42.059 -0.317 0.000 0.908 3286 L HN 0.346 nan 8.230 nan 0.000 0.438 3287 R N -0.573 119.936 120.500 0.014 0.000 2.189 3287 R HA -0.094 4.245 4.340 -0.002 0.000 0.218 3287 R C 2.018 178.250 176.300 -0.113 0.000 1.074 3287 R CA 0.657 56.737 56.100 -0.034 0.000 0.991 3287 R CB 0.069 30.360 30.300 -0.015 0.000 0.883 3287 R HN 0.364 nan 8.270 nan 0.000 0.457 3288 Q N 0.416 120.120 119.800 -0.159 0.000 2.424 3288 Q HA 0.054 4.392 4.340 -0.002 0.000 0.204 3288 Q C 0.087 176.035 176.000 -0.088 0.000 0.933 3288 Q CA 0.611 56.330 55.803 -0.139 0.000 0.929 3288 Q CB 0.285 28.912 28.738 -0.186 0.000 1.037 3288 Q HN 0.015 nan 8.270 nan 0.000 0.511 3289 K N 2.217 122.568 120.400 -0.082 0.000 2.355 3289 K HA 0.093 4.412 4.320 -0.002 0.000 0.270 3289 K C 0.599 177.184 176.600 -0.025 0.000 1.003 3289 K CA 0.101 56.355 56.287 -0.054 0.000 0.957 3289 K CB 0.352 32.812 32.500 -0.066 0.000 0.939 3289 K HN 0.184 nan 8.250 nan 0.000 0.482 3290 T N -2.300 112.254 114.554 -0.000 0.000 2.849 3290 T HA 0.064 4.413 4.350 -0.002 0.000 0.284 3290 T C 1.327 176.081 174.700 0.089 0.000 1.004 3290 T CA -0.621 61.496 62.100 0.029 0.000 1.021 3290 T CB 1.163 70.045 68.868 0.022 0.000 1.013 3290 T HN 0.621 nan 8.240 nan 0.000 0.527 3291 E N 0.362 120.638 120.200 0.127 0.000 2.070 3291 E HA -0.278 4.071 4.350 -0.002 0.000 0.197 3291 E C 1.912 178.658 176.600 0.243 0.000 1.004 3291 E CA 1.670 58.220 56.400 0.249 0.000 0.805 3291 E CB -0.103 29.667 29.700 0.117 0.000 0.744 3291 E HN 0.883 nan 8.360 nan 0.000 0.451 3292 E N 0.126 120.401 120.200 0.124 0.000 2.085 3292 E HA -0.237 4.112 4.350 -0.002 0.000 0.194 3292 E C 1.966 178.628 176.600 0.103 0.000 0.994 3292 E CA 1.387 57.848 56.400 0.101 0.000 0.801 3292 E CB 0.048 29.779 29.700 0.052 0.000 0.743 3292 E HN 0.353 nan 8.360 nan 0.000 0.453 3293 E N 0.208 120.454 120.200 0.076 0.000 2.077 3293 E HA -0.171 4.177 4.350 -0.002 0.000 0.193 3293 E C 2.219 178.845 176.600 0.042 0.000 0.989 3293 E CA 0.893 57.318 56.400 0.043 0.000 0.800 3293 E CB -0.011 29.697 29.700 0.012 0.000 0.746 3293 E HN 0.318 nan 8.360 nan 0.000 0.452 3294 L N 0.472 121.730 121.223 0.057 0.000 2.201 3294 L HA -0.140 4.199 4.340 -0.002 0.000 0.212 3294 L C 2.411 179.337 176.870 0.094 0.000 1.105 3294 L CA 0.240 55.048 54.840 -0.054 0.000 0.775 3294 L CB -0.172 41.700 42.059 -0.312 0.000 0.913 3294 L HN 0.212 nan 8.230 nan 0.000 0.440 3295 L N -0.028 121.378 121.223 0.305 0.000 2.109 3295 L HA -0.142 4.196 4.340 -0.002 0.000 0.207 3295 L C 2.305 179.285 176.870 0.182 0.000 1.086 3295 L CA 1.684 56.732 54.840 0.347 0.000 0.760 3295 L CB -0.368 41.861 42.059 0.282 0.000 0.910 3295 L HN 0.170 nan 8.230 nan 0.000 0.437 3296 E N -1.288 118.981 120.200 0.115 0.000 2.106 3296 E HA -0.177 4.172 4.350 -0.002 0.000 0.192 3296 E C 1.890 178.520 176.600 0.050 0.000 0.984 3296 E CA 1.588 58.028 56.400 0.067 0.000 0.806 3296 E CB -0.144 29.581 29.700 0.043 0.000 0.750 3296 E HN 0.493 nan 8.360 nan 0.000 0.458 3297 T N 0.389 114.970 114.554 0.045 0.000 2.777 3297 T HA -0.119 4.229 4.350 -0.002 0.000 0.266 3297 T C 1.989 176.723 174.700 0.057 0.000 1.040 3297 T CA 1.555 63.668 62.100 0.023 0.000 1.141 3297 T CB -0.320 68.544 68.868 -0.007 0.000 0.868 3297 T HN 0.174 nan 8.240 nan 0.000 0.444 3298 T N 2.337 116.973 114.554 0.137 0.000 2.746 3298 T HA -0.039 4.310 4.350 -0.002 0.000 0.267 3298 T C 1.819 176.608 174.700 0.149 0.000 1.039 3298 T CA 0.828 63.090 62.100 0.270 0.000 1.142 3298 T CB -0.365 68.718 68.868 0.359 0.000 0.866 3298 T HN 0.088 nan 8.240 nan 0.000 0.444 3299 L N 0.927 122.210 121.223 0.100 0.000 2.093 3299 L HA 0.031 4.369 4.340 -0.002 0.000 0.208 3299 L C 2.333 179.187 176.870 -0.026 0.000 1.085 3299 L CA 1.609 56.477 54.840 0.046 0.000 0.755 3299 L CB -0.593 41.495 42.059 0.048 0.000 0.904 3299 L HN 0.187 nan 8.230 nan 0.000 0.435 3300 K N -1.369 119.007 120.400 -0.040 0.000 2.148 3300 K HA -0.085 4.234 4.320 -0.002 0.000 0.204 3300 K C 1.968 178.476 176.600 -0.152 0.000 1.050 3300 K CA 0.893 57.137 56.287 -0.073 0.000 0.942 3300 K CB -0.123 32.347 32.500 -0.051 0.000 0.724 3300 K HN 0.199 nan 8.250 nan 0.000 0.446 3301 M N 0.802 120.246 119.600 -0.260 0.000 2.296 3301 M HA -0.062 4.416 4.480 -0.002 0.000 0.265 3301 M C 0.224 176.185 176.300 -0.564 0.000 1.064 3301 M CA 1.074 56.054 55.300 -0.534 0.000 1.109 3301 M CB -0.563 31.390 32.600 -1.077 0.000 1.396 3301 M HN 0.072 nan 8.290 nan 0.000 0.430 3302 K N 0.701 120.884 120.400 -0.362 0.000 3.393 3302 K HA -0.172 4.147 4.320 -0.002 0.000 0.272 3302 K C -0.678 175.823 176.600 -0.165 0.000 1.004 3302 K CA 0.104 56.276 56.287 -0.190 0.000 0.764 3302 K CB -1.786 30.637 32.500 -0.127 0.000 1.373 3302 K HN 0.178 nan 8.250 nan 0.000 0.458 3303 F N 0.383 120.357 119.950 0.039 0.000 2.399 3303 F HA 0.172 4.697 4.527 -0.003 0.000 0.313 3303 F C 2.150 177.971 175.800 0.036 0.000 1.202 3303 F CA -0.055 57.970 58.000 0.042 0.000 1.192 3303 F CB 0.391 39.427 39.000 0.061 0.000 1.256 3303 F HN 0.177 nan 8.300 nan 0.000 0.558 3304 L N 0.266 121.645 121.223 0.259 0.000 4.232 3304 L HA -0.274 4.064 4.340 -0.002 0.000 0.415 3304 L C -0.282 176.647 176.870 0.098 0.000 1.168 3304 L CA 0.288 55.212 54.840 0.141 0.000 0.966 3304 L CB -1.898 40.231 42.059 0.116 0.000 2.052 3304 L HN 0.529 nan 8.230 nan 0.000 0.887 3305 S N -0.220 115.539 115.700 0.098 0.000 2.575 3305 S HA 0.626 5.094 4.470 -0.002 0.000 0.278 3305 S C -0.585 174.052 174.600 0.062 0.000 1.139 3305 S CA -0.681 57.557 58.200 0.063 0.000 0.954 3305 S CB 1.889 65.109 63.200 0.032 0.000 1.054 3305 S HN 0.216 nan 8.310 nan 0.000 0.483 3306 L N 4.183 125.450 121.223 0.074 0.000 2.418 3306 L HA 0.406 4.745 4.340 -0.002 0.000 0.274 3306 L C -0.221 176.652 176.870 0.005 0.000 1.135 3306 L CA 0.235 55.112 54.840 0.061 0.000 0.870 3306 L CB 0.550 42.667 42.059 0.098 0.000 1.154 3306 L HN 0.580 nan 8.230 nan 0.000 0.462 3307 D N 4.463 124.856 120.400 -0.012 0.000 2.316 3307 D HA 0.145 4.784 4.640 -0.002 0.000 0.245 3307 D C 0.523 176.791 176.300 -0.053 0.000 1.171 3307 D CA 0.050 54.029 54.000 -0.036 0.000 0.856 3307 D CB 0.815 41.590 40.800 -0.042 0.000 1.090 3307 D HN 0.555 nan 8.370 nan 0.000 0.476 3308 L N 2.660 123.853 121.223 -0.050 0.000 2.653 3308 L HA 0.179 4.517 4.340 -0.002 0.000 0.231 3308 L C 0.641 177.486 176.870 -0.041 0.000 1.153 3308 L CA 0.025 54.833 54.840 -0.054 0.000 0.933 3308 L CB -0.214 41.814 42.059 -0.052 0.000 1.175 3308 L HN 0.249 nan 8.230 nan 0.000 0.473 3309 Q N -0.202 119.573 119.800 -0.041 0.000 2.345 3309 Q HA 0.621 4.959 4.340 -0.002 0.000 0.268 3309 Q C 0.495 176.474 176.000 -0.034 0.000 1.054 3309 Q CA -0.185 55.600 55.803 -0.030 0.000 0.835 3309 Q CB 2.499 31.221 28.738 -0.026 0.000 1.339 3309 Q HN 0.184 nan 8.270 nan 0.000 0.447 3310 G N 1.931 110.720 108.800 -0.017 0.000 2.601 3310 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.252 3310 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.252 3310 G C -0.797 174.089 174.900 -0.023 0.000 1.294 3310 G CA -0.216 44.876 45.100 -0.014 0.000 0.912 3310 G HN 0.727 nan 8.290 nan 0.000 0.574 3311 D N 1.163 121.544 120.400 -0.031 0.000 2.325 3311 D HA 0.397 5.035 4.640 -0.002 0.000 0.251 3311 D C -0.800 175.385 176.300 -0.192 0.000 1.196 3311 D CA -1.485 52.480 54.000 -0.058 0.000 0.866 3311 D CB 1.235 42.025 40.800 -0.017 0.000 1.101 3311 D HN -0.001 nan 8.370 nan 0.000 0.476 3312 P HA -0.101 nan 4.420 nan 0.000 0.217 3312 P C 1.044 178.125 177.300 -0.364 0.000 1.148 3312 P CA 1.007 63.813 63.100 -0.490 0.000 0.828 3312 P CB 0.253 31.355 31.700 -0.997 0.000 0.783 3313 R N -0.313 119.890 120.500 -0.496 0.000 2.285 3313 R HA -0.072 4.266 4.340 -0.002 0.000 0.213 3313 R C 1.589 177.833 176.300 -0.093 0.000 1.068 3313 R CA 0.904 56.787 56.100 -0.360 0.000 1.004 3313 R CB -0.324 29.707 30.300 -0.448 0.000 0.873 3313 R HN 0.418 nan 8.270 nan 0.000 0.467 3314 E N 0.111 120.259 120.200 -0.087 0.000 2.476 3314 E HA 0.011 4.360 4.350 -0.002 0.000 0.199 3314 E C -0.094 176.497 176.600 -0.014 0.000 1.021 3314 E CA -0.010 56.370 56.400 -0.033 0.000 0.907 3314 E CB 0.684 30.364 29.700 -0.033 0.000 0.974 3314 E HN 0.144 nan 8.360 nan 0.000 0.489 3315 S N 0.869 116.556 115.700 -0.022 0.000 2.513 3315 S HA 0.297 4.766 4.470 -0.002 0.000 0.276 3315 S C -0.138 174.485 174.600 0.038 0.000 1.254 3315 S CA -0.751 57.447 58.200 -0.004 0.000 1.053 3315 S CB 1.649 64.834 63.200 -0.026 0.000 0.958 3315 S HN -0.020 nan 8.310 nan 0.000 0.491 3316 Q N 2.984 122.826 119.800 0.070 0.000 2.508 3316 Q HA 0.385 4.723 4.340 -0.002 0.000 0.247 3316 Q C -1.816 174.325 176.000 0.235 0.000 1.047 3316 Q CA -2.113 53.770 55.803 0.134 0.000 0.783 3316 Q CB 1.531 30.371 28.738 0.169 0.000 1.172 3316 Q HN 0.565 nan 8.270 nan 0.000 0.515 3317 P HA -0.070 nan 4.420 nan 0.000 0.226 3317 P C -0.531 176.967 177.300 0.329 0.000 1.153 3317 P CA 0.787 64.031 63.100 0.240 0.000 0.777 3317 P CB 0.667 32.443 31.700 0.127 0.000 0.794 3318 L N -1.450 119.881 121.223 0.181 0.000 2.469 3318 L HA 0.452 4.791 4.340 -0.002 0.000 0.256 3318 L C -0.484 176.275 176.870 -0.185 0.000 1.006 3318 L CA -1.150 53.649 54.840 -0.069 0.000 0.832 3318 L CB 2.159 44.172 42.059 -0.077 0.000 1.421 3318 L HN -0.310 nan 8.230 nan 0.000 0.410 3319 L N 0.791 121.797 121.223 -0.362 0.000 2.296 3319 L HA 0.839 5.177 4.340 -0.002 0.000 0.286 3319 L C 0.302 177.011 176.870 -0.268 0.000 1.023 3319 L CA -0.040 54.660 54.840 -0.233 0.000 0.812 3319 L CB 1.637 43.569 42.059 -0.212 0.000 1.223 3319 L HN 0.814 nan 8.230 nan 0.000 0.421 3320 G N 1.170 109.832 108.800 -0.230 0.000 3.085 3320 G HA2 0.374 4.333 3.960 -0.002 0.000 0.264 3320 G HA3 0.374 4.333 3.960 -0.002 0.000 0.264 3320 G C -0.868 173.916 174.900 -0.193 0.000 1.206 3320 G CA -0.364 44.469 45.100 -0.444 0.000 0.809 3320 G HN 0.338 nan 8.290 nan 0.000 0.592 3321 T N 0.553 115.032 114.554 -0.125 0.000 2.940 3321 T HA 0.437 4.785 4.350 -0.002 0.000 0.309 3321 T C 0.401 175.109 174.700 0.013 0.000 1.056 3321 T CA 0.457 62.613 62.100 0.092 0.000 1.137 3321 T CB 0.987 69.906 68.868 0.086 0.000 0.976 3321 T HN 1.327 nan 8.240 nan 0.000 0.547 3322 V N -0.148 119.775 119.914 0.014 0.000 3.130 3322 V HA 0.610 4.728 4.120 -0.002 0.000 0.310 3322 V C -0.726 175.334 176.094 -0.056 0.000 1.158 3322 V CA -1.369 60.905 62.300 -0.043 0.000 1.029 3322 V CB 1.886 33.667 31.823 -0.070 0.000 1.057 3322 V HN 0.621 nan 8.190 nan 0.000 0.436 3323 I N 3.781 124.312 120.570 -0.063 0.000 2.260 3323 I HA 0.265 4.433 4.170 -0.002 0.000 0.297 3323 I C 0.957 177.032 176.117 -0.070 0.000 1.143 3323 I CA 0.089 61.352 61.300 -0.062 0.000 1.271 3323 I CB -0.125 37.842 38.000 -0.054 0.000 1.461 3323 I HN 0.977 nan 8.210 nan 0.000 0.530 3324 D N 3.934 124.285 120.400 -0.082 0.000 2.249 3324 D HA -0.014 4.624 4.640 -0.002 0.000 0.205 3324 D C 1.392 177.649 176.300 -0.072 0.000 0.962 3324 D CA 1.169 55.109 54.000 -0.099 0.000 0.860 3324 D CB 0.459 41.167 40.800 -0.153 0.000 0.955 3324 D HN 0.650 nan 8.370 nan 0.000 0.505 3325 G N -0.223 108.544 108.800 -0.055 0.000 2.179 3325 G HA2 -0.229 3.729 3.960 -0.002 0.000 0.220 3325 G HA3 -0.229 3.729 3.960 -0.002 0.000 0.220 3325 G C 0.882 175.765 174.900 -0.027 0.000 0.990 3325 G CA 0.512 45.589 45.100 -0.038 0.000 0.646 3325 G HN 0.217 nan 8.290 nan 0.000 0.517 3326 M N -1.204 118.377 119.600 -0.032 0.000 3.112 3326 M HA 0.472 4.951 4.480 -0.002 0.000 0.229 3326 M C 2.203 178.498 176.300 -0.009 0.000 1.673 3326 M CA 0.925 56.218 55.300 -0.012 0.000 1.303 3326 M CB -1.322 31.273 32.600 -0.007 0.000 1.159 3326 M HN 0.201 nan 8.290 nan 0.000 0.588 3327 L N 0.807 122.016 121.223 -0.024 0.000 2.023 3327 L HA 0.146 4.485 4.340 -0.002 0.000 0.205 3327 L C 0.342 177.189 176.870 -0.037 0.000 1.073 3327 L CA 1.446 56.272 54.840 -0.023 0.000 0.745 3327 L CB 0.112 42.151 42.059 -0.034 0.000 0.900 3327 L HN 0.117 nan 8.230 nan 0.000 0.435 3328 L N -0.132 121.060 121.223 -0.052 0.000 2.333 3328 L HA 0.251 4.590 4.340 -0.002 0.000 0.280 3328 L C 0.395 177.240 176.870 -0.042 0.000 1.004 3328 L CA -0.398 54.410 54.840 -0.053 0.000 0.820 3328 L CB 1.860 43.877 42.059 -0.070 0.000 1.247 3328 L HN 0.117 nan 8.230 nan 0.000 0.416 3329 L N 2.316 123.520 121.223 -0.032 0.000 2.416 3329 L HA 0.178 4.517 4.340 -0.002 0.000 0.216 3329 L C 0.418 177.271 176.870 -0.027 0.000 1.098 3329 L CA 0.567 55.391 54.840 -0.027 0.000 0.840 3329 L CB -0.192 41.855 42.059 -0.020 0.000 0.981 3329 L HN 0.640 nan 8.230 nan 0.000 0.462 3330 K N -1.177 119.206 120.400 -0.029 0.000 2.571 3330 K HA 0.373 4.692 4.320 -0.002 0.000 0.289 3330 K C -0.508 176.072 176.600 -0.034 0.000 1.028 3330 K CA -0.771 55.500 56.287 -0.028 0.000 0.895 3330 K CB 0.829 33.318 32.500 -0.018 0.000 1.534 3330 K HN -0.147 nan 8.250 nan 0.000 0.421 3331 T N -1.824 112.708 114.554 -0.036 0.000 2.855 3331 T HA 0.086 4.435 4.350 -0.002 0.000 0.314 3331 T C -1.830 172.844 174.700 -0.042 0.000 1.077 3331 T CA -0.795 61.277 62.100 -0.047 0.000 1.095 3331 T CB 0.346 69.185 68.868 -0.049 0.000 0.987 3331 T HN 0.270 nan 8.240 nan 0.000 0.546 3332 P HA -0.097 nan 4.420 nan 0.000 0.216 3332 P C 1.380 178.661 177.300 -0.032 0.000 1.153 3332 P CA 1.192 64.258 63.100 -0.057 0.000 0.858 3332 P CB 0.017 31.666 31.700 -0.085 0.000 0.789 3333 E N -0.347 119.830 120.200 -0.038 0.000 2.085 3333 E HA -0.209 4.139 4.350 -0.002 0.000 0.194 3333 E C 1.947 178.549 176.600 0.004 0.000 0.994 3333 E CA 1.319 57.707 56.400 -0.020 0.000 0.801 3333 E CB -0.602 29.077 29.700 -0.034 0.000 0.743 3333 E HN 0.413 nan 8.360 nan 0.000 0.453 3334 E N -0.022 120.177 120.200 -0.001 0.000 2.107 3334 E HA -0.087 4.262 4.350 -0.002 0.000 0.191 3334 E C 1.951 178.570 176.600 0.032 0.000 0.982 3334 E CA 0.627 57.033 56.400 0.010 0.000 0.809 3334 E CB -0.005 29.693 29.700 -0.003 0.000 0.756 3334 E HN 0.210 nan 8.360 nan 0.000 0.459 3335 L N 0.688 121.935 121.223 0.040 0.000 2.141 3335 L HA -0.180 4.158 4.340 -0.002 0.000 0.209 3335 L C 2.399 179.382 176.870 0.189 0.000 1.094 3335 L CA 0.991 55.884 54.840 0.088 0.000 0.763 3335 L CB -0.257 41.846 42.059 0.073 0.000 0.908 3335 L HN 0.155 nan 8.230 nan 0.000 0.437 3336 Q N -0.170 119.723 119.800 0.155 0.000 2.049 3336 Q HA -0.123 4.215 4.340 -0.002 0.000 0.198 3336 Q C 2.528 178.650 176.000 0.202 0.000 0.971 3336 Q CA 1.395 57.343 55.803 0.242 0.000 0.833 3336 Q CB -0.220 28.585 28.738 0.112 0.000 0.896 3336 Q HN 0.534 nan 8.270 nan 0.000 0.434 3337 A N 1.527 124.411 122.820 0.106 0.000 1.908 3337 A HA -0.242 4.076 4.320 -0.002 0.000 0.218 3337 A C 1.749 179.364 177.584 0.051 0.000 1.181 3337 A CA 1.601 53.679 52.037 0.069 0.000 0.627 3337 A CB -0.460 18.565 19.000 0.040 0.000 0.818 3337 A HN 0.333 nan 8.150 nan 0.000 0.445 3338 E N -1.868 118.360 120.200 0.046 0.000 2.409 3338 E HA -0.074 4.275 4.350 -0.002 0.000 0.198 3338 E C 0.262 176.836 176.600 -0.042 0.000 1.024 3338 E CA 0.194 56.597 56.400 0.005 0.000 0.861 3338 E CB 0.037 29.740 29.700 0.004 0.000 0.788 3338 E HN 0.325 nan 8.360 nan 0.000 0.521 3339 R N 0.164 120.650 120.500 -0.025 0.000 3.758 3339 R HA -0.184 4.155 4.340 -0.002 0.000 0.299 3339 R C -0.845 175.159 176.300 -0.492 0.000 1.182 3339 R CA 0.656 56.597 56.100 -0.264 0.000 0.809 3339 R CB -2.576 27.592 30.300 -0.219 0.000 1.249 3339 R HN 0.091 nan 8.270 nan 0.000 0.497 3340 N N 0.985 119.549 118.700 -0.227 0.000 2.645 3340 N HA 0.471 5.209 4.740 -0.002 0.000 0.233 3340 N C -0.969 174.511 175.510 -0.050 0.000 1.058 3340 N CA -0.328 52.614 53.050 -0.180 0.000 0.942 3340 N CB 0.223 38.676 38.487 -0.057 0.000 1.210 3340 N HN 0.205 nan 8.380 nan 0.000 0.512 3341 F N -1.398 118.476 119.950 -0.126 0.000 2.944 3341 F HA 0.311 4.836 4.527 -0.002 0.000 0.324 3341 F C -1.181 174.506 175.800 -0.188 0.000 1.151 3341 F CA -1.367 56.502 58.000 -0.220 0.000 0.883 3341 F CB 0.434 39.375 39.000 -0.098 0.000 1.341 3341 F HN 0.098 nan 8.300 nan 0.000 0.456 3342 H N 0.282 119.569 119.070 0.361 0.000 2.955 3342 H HA 0.380 4.935 4.556 -0.002 0.000 0.290 3342 H C 0.427 175.947 175.328 0.320 0.000 1.047 3342 H CA 0.402 56.558 56.048 0.179 0.000 1.484 3342 H CB 0.790 30.565 29.762 0.021 0.000 1.501 3342 H HN 0.728 nan 8.280 nan 0.000 0.521 3343 T N 1.138 115.830 114.554 0.230 0.000 3.607 3343 T HA 0.235 4.583 4.350 -0.002 0.000 0.225 3343 T C 0.483 175.291 174.700 0.181 0.000 0.904 3343 T CA -0.767 61.425 62.100 0.154 0.000 0.962 3343 T CB -1.373 67.477 68.868 -0.031 0.000 1.221 3343 T HN 0.361 nan 8.240 nan 0.000 0.641 3344 V N -1.763 118.323 119.914 0.287 0.000 2.904 3344 V HA 0.635 4.754 4.120 -0.002 0.000 0.305 3344 V C -2.736 173.582 176.094 0.373 0.000 1.067 3344 V CA -3.107 59.326 62.300 0.223 0.000 1.044 3344 V CB 0.547 32.456 31.823 0.143 0.000 1.050 3344 V HN 0.129 nan 8.190 nan 0.000 0.475 3345 P HA 0.144 nan 4.420 nan 0.000 0.265 3345 P C -1.335 176.306 177.300 0.568 0.000 1.193 3345 P CA 0.619 63.928 63.100 0.349 0.000 0.765 3345 P CB -0.095 31.623 31.700 0.030 0.000 0.823 3346 Y N 3.409 123.979 120.300 0.449 0.000 2.373 3346 Y HA 0.499 5.047 4.550 -0.003 0.000 0.336 3346 Y C -0.727 175.218 175.900 0.075 0.000 0.979 3346 Y CA -1.457 56.749 58.100 0.176 0.000 1.080 3346 Y CB 1.521 39.724 38.460 -0.428 0.000 1.190 3346 Y HN 0.215 nan 8.280 nan 0.000 0.446 3347 M N 7.768 127.397 119.600 0.048 0.000 2.149 3347 M HA 0.566 5.045 4.480 -0.002 0.000 0.342 3347 M C -2.223 173.855 176.300 -0.369 0.000 1.068 3347 M CA -0.668 54.398 55.300 -0.389 0.000 0.991 3347 M CB 0.984 32.973 32.600 -1.018 0.000 1.596 3347 M HN 0.425 nan 8.290 nan 0.000 0.439 3348 V N 4.686 124.342 119.914 -0.430 0.000 2.444 3348 V HA 0.873 4.991 4.120 -0.002 0.000 0.294 3348 V C 0.208 176.011 176.094 -0.484 0.000 1.022 3348 V CA -0.531 61.480 62.300 -0.481 0.000 0.850 3348 V CB 1.519 32.951 31.823 -0.651 0.000 0.992 3348 V HN 1.011 nan 8.190 nan 0.000 0.426 3349 G N 4.121 112.551 108.800 -0.617 0.000 2.680 3349 G HA2 0.905 4.863 3.960 -0.002 0.000 0.290 3349 G HA3 0.905 4.863 3.960 -0.002 0.000 0.290 3349 G C -1.234 173.278 174.900 -0.648 0.000 1.355 3349 G CA -0.686 43.665 45.100 -1.249 0.000 0.903 3349 G HN 0.890 nan 8.290 nan 0.000 0.474 3350 I N -2.549 117.731 120.570 -0.484 0.000 3.174 3350 I HA 0.582 4.751 4.170 -0.002 0.000 0.313 3350 I C -1.022 175.152 176.117 0.096 0.000 1.155 3350 I CA -1.353 59.881 61.300 -0.110 0.000 0.977 3350 I CB 2.417 40.382 38.000 -0.059 0.000 1.248 3350 I HN 0.427 nan 8.210 nan 0.000 0.453 3351 N N 1.366 120.144 118.700 0.130 0.000 2.472 3351 N HA 0.247 4.985 4.740 -0.002 0.000 0.289 3351 N C 0.175 175.794 175.510 0.182 0.000 1.156 3351 N CA -0.810 52.389 53.050 0.249 0.000 0.940 3351 N CB 1.917 40.540 38.487 0.227 0.000 1.200 3351 N HN 0.520 nan 8.380 nan 0.000 0.511 3352 K N 0.733 121.254 120.400 0.202 0.000 2.044 3352 K HA -0.158 4.161 4.320 -0.002 0.000 0.210 3352 K C 0.079 176.763 176.600 0.140 0.000 1.049 3352 K CA 1.864 58.240 56.287 0.148 0.000 0.927 3352 K CB 0.124 32.699 32.500 0.125 0.000 0.713 3352 K HN 0.542 nan 8.250 nan 0.000 0.443 3353 Q N 0.304 120.194 119.800 0.151 0.000 2.851 3353 Q HA 0.110 4.448 4.340 -0.002 0.000 0.331 3353 Q C -0.160 175.935 176.000 0.159 0.000 0.979 3353 Q CA -0.305 55.590 55.803 0.154 0.000 0.955 3353 Q CB 1.352 30.180 28.738 0.149 0.000 1.298 3353 Q HN 0.159 nan 8.270 nan 0.000 0.432 3354 E N 0.154 120.432 120.200 0.131 0.000 2.171 3354 E HA -0.186 4.163 4.350 -0.002 0.000 0.197 3354 E C 0.371 177.051 176.600 0.133 0.000 0.997 3354 E CA 1.283 57.713 56.400 0.049 0.000 0.810 3354 E CB 0.148 29.763 29.700 -0.141 0.000 0.738 3354 E HN 0.440 nan 8.360 nan 0.000 0.467 3355 F N 0.075 120.048 119.950 0.039 0.000 2.850 3355 F HA 0.310 4.836 4.527 -0.002 0.000 0.306 3355 F C 1.586 177.409 175.800 0.038 0.000 1.162 3355 F CA -0.278 57.722 58.000 0.001 0.000 1.327 3355 F CB 0.561 39.524 39.000 -0.061 0.000 0.953 3355 F HN -0.097 nan 8.300 nan 0.000 0.507 3356 G N -0.093 108.776 108.800 0.115 0.000 2.421 3356 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.217 3356 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.217 3356 G C 0.967 175.993 174.900 0.211 0.000 1.143 3356 G CA 1.235 46.431 45.100 0.160 0.000 0.784 3356 G HN 0.642 nan 8.290 nan 0.000 0.541 3357 W N -1.784 119.458 121.300 -0.096 0.000 5.315 3357 W HA 0.182 4.841 4.660 -0.003 0.000 0.156 3357 W C 1.653 178.105 176.519 -0.111 0.000 1.387 3357 W CA 0.226 57.520 57.345 -0.085 0.000 1.815 3357 W CB -0.653 28.801 29.460 -0.009 0.000 0.537 3357 W HN -0.018 nan 8.180 nan 0.000 1.106 3358 L N 2.147 123.393 121.223 0.038 0.000 1.997 3358 L HA -0.167 4.171 4.340 -0.002 0.000 0.216 3358 L C 2.040 178.706 176.870 -0.341 0.000 1.074 3358 L CA 2.949 57.679 54.840 -0.183 0.000 0.763 3358 L CB -1.029 41.173 42.059 0.238 0.000 0.890 3358 L HN 0.239 nan 8.230 nan 0.000 0.434 3359 I N -0.744 119.637 120.570 -0.315 0.000 2.202 3359 I HA -0.176 3.993 4.170 -0.002 0.000 0.242 3359 I C -0.329 175.478 176.117 -0.517 0.000 1.091 3359 I CA 1.092 62.166 61.300 -0.377 0.000 1.368 3359 I CB -1.662 36.101 38.000 -0.394 0.000 1.058 3359 I HN 0.264 nan 8.210 nan 0.000 0.410 3360 P HA -0.159 nan 4.420 nan 0.000 0.216 3360 P C 1.096 178.209 177.300 -0.311 0.000 1.150 3360 P CA 1.175 63.899 63.100 -0.625 0.000 0.837 3360 P CB 0.003 31.288 31.700 -0.692 0.000 0.786 3364 M N -0.478 119.090 119.600 -0.053 0.000 2.431 3364 M HA 0.222 4.700 4.480 -0.002 0.000 0.237 3364 M C 0.625 176.965 176.300 0.067 0.000 1.130 3364 M CA 0.136 55.460 55.300 0.041 0.000 1.002 3364 M CB 0.577 33.247 32.600 0.116 0.000 1.524 3364 M HN 0.178 nan 8.290 nan 0.000 0.482 3365 S N 0.234 115.947 115.700 0.022 0.000 3.641 3365 S HA -0.203 4.266 4.470 -0.002 0.000 0.346 3365 S C -0.208 174.442 174.600 0.083 0.000 1.074 3365 S CA 0.311 58.528 58.200 0.028 0.000 1.026 3365 S CB -2.110 61.096 63.200 0.011 0.000 0.908 3365 S HN 0.581 nan 8.310 nan 0.000 0.479 3366 Y N 2.208 122.503 120.300 -0.007 0.000 2.620 3366 Y HA 0.265 4.814 4.550 -0.003 0.000 0.330 3366 Y C -1.915 174.018 175.900 0.054 0.000 1.186 3366 Y CA -1.221 56.915 58.100 0.060 0.000 1.467 3366 Y CB 0.433 38.958 38.460 0.107 0.000 1.262 3366 Y HN 0.053 nan 8.280 nan 0.000 0.550 3367 P HA 0.195 nan 4.420 nan 0.000 0.249 3367 P C -1.285 176.008 177.300 -0.012 0.000 1.737 3367 P CA 0.533 63.570 63.100 -0.104 0.000 1.128 3367 P CB -0.240 31.355 31.700 -0.176 0.000 1.942 3368 L N 1.817 123.103 121.223 0.105 0.000 2.555 3368 L HA 0.240 4.578 4.340 -0.002 0.000 0.264 3368 L C 0.391 177.333 176.870 0.120 0.000 0.972 3368 L CA -0.106 54.823 54.840 0.148 0.000 0.876 3368 L CB 1.913 44.153 42.059 0.302 0.000 1.216 3368 L HN 0.120 nan 8.230 nan 0.000 0.415 3369 S N -0.606 115.143 115.700 0.081 0.000 2.900 3369 S HA 0.354 4.822 4.470 -0.002 0.000 0.253 3369 S C -0.011 174.628 174.600 0.065 0.000 1.029 3369 S CA -0.611 57.634 58.200 0.075 0.000 1.096 3369 S CB 0.487 63.719 63.200 0.054 0.000 1.067 3369 S HN 0.433 nan 8.310 nan 0.000 0.610 3370 E N 0.944 121.183 120.200 0.065 0.000 2.222 3370 E HA 0.461 4.810 4.350 -0.002 0.000 0.267 3370 E C 0.554 177.193 176.600 0.066 0.000 0.884 3370 E CA -0.567 55.865 56.400 0.054 0.000 0.764 3370 E CB 1.623 31.344 29.700 0.035 0.000 1.169 3370 E HN 0.252 nan 8.360 nan 0.000 0.413 3371 G N 2.051 110.887 108.800 0.060 0.000 2.776 3371 G HA2 -0.141 3.817 3.960 -0.002 0.000 0.209 3371 G HA3 -0.141 3.817 3.960 -0.002 0.000 0.209 3371 G C 0.499 175.436 174.900 0.061 0.000 1.145 3371 G CA 0.507 45.647 45.100 0.066 0.000 0.791 3371 G HN 0.279 nan 8.290 nan 0.000 0.530 3372 Q N -1.074 118.755 119.800 0.049 0.000 2.377 3372 Q HA 0.722 5.060 4.340 -0.002 0.000 0.271 3372 Q C -1.751 174.265 176.000 0.028 0.000 1.077 3372 Q CA -0.819 55.008 55.803 0.040 0.000 0.820 3372 Q CB 2.924 31.680 28.738 0.030 0.000 1.347 3372 Q HN 0.111 nan 8.270 nan 0.000 0.444 3373 L N 2.249 123.485 121.223 0.022 0.000 2.543 3373 L HA 0.350 4.688 4.340 -0.002 0.000 0.265 3373 L C -1.690 175.175 176.870 -0.008 0.000 0.945 3373 L CA -0.379 54.454 54.840 -0.012 0.000 0.869 3373 L CB 1.825 43.858 42.059 -0.043 0.000 1.294 3373 L HN 0.656 nan 8.230 nan 0.000 0.405 3374 D N 3.296 123.685 120.400 -0.019 0.000 2.283 3374 D HA 0.144 4.782 4.640 -0.002 0.000 0.248 3374 D C 0.141 176.434 176.300 -0.012 0.000 1.072 3374 D CA -0.508 53.489 54.000 -0.005 0.000 0.929 3374 D CB 1.245 42.043 40.800 -0.003 0.000 1.182 3374 D HN 0.686 nan 8.370 nan 0.000 0.433 3375 Q N 0.237 120.045 119.800 0.013 0.000 2.135 3375 Q HA -0.205 4.133 4.340 -0.002 0.000 0.204 3375 Q C 1.979 177.990 176.000 0.018 0.000 0.981 3375 Q CA 1.286 57.106 55.803 0.028 0.000 0.856 3375 Q CB -0.068 28.697 28.738 0.045 0.000 0.902 3375 Q HN 0.549 nan 8.270 nan 0.000 0.425 3376 K N 0.461 120.866 120.400 0.009 0.000 2.057 3376 K HA -0.141 4.178 4.320 -0.002 0.000 0.207 3376 K C 1.932 178.531 176.600 -0.002 0.000 1.049 3376 K CA 1.703 57.995 56.287 0.008 0.000 0.931 3376 K CB 0.044 32.547 32.500 0.004 0.000 0.714 3376 K HN 0.097 nan 8.250 nan 0.000 0.440 3377 T N 0.726 115.263 114.554 -0.029 0.000 2.777 3377 T HA -0.059 4.290 4.350 -0.002 0.000 0.266 3377 T C 1.901 176.532 174.700 -0.116 0.000 1.040 3377 T CA 1.126 63.191 62.100 -0.059 0.000 1.141 3377 T CB -0.272 68.551 68.868 -0.074 0.000 0.868 3377 T HN 0.402 nan 8.240 nan 0.000 0.444 3378 A N 1.766 124.490 122.820 -0.159 0.000 1.908 3378 A HA -0.090 4.229 4.320 -0.002 0.000 0.218 3378 A C 2.351 179.934 177.584 -0.002 0.000 1.181 3378 A CA 1.585 53.447 52.037 -0.290 0.000 0.627 3378 A CB -0.732 18.183 19.000 -0.141 0.000 0.818 3378 A HN 0.449 nan 8.150 nan 0.000 0.445 3379 M N -0.434 119.210 119.600 0.074 0.000 2.159 3379 M HA -0.122 4.357 4.480 -0.002 0.000 0.263 3379 M C 2.359 178.767 176.300 0.181 0.000 1.063 3379 M CA 1.635 57.025 55.300 0.150 0.000 1.110 3379 M CB -0.370 32.289 32.600 0.099 0.000 1.374 3379 M HN 0.434 nan 8.290 nan 0.000 0.411 3380 S N 0.883 116.654 115.700 0.118 0.000 2.368 3380 S HA -0.024 4.445 4.470 -0.002 0.000 0.224 3380 S C 1.874 176.580 174.600 0.177 0.000 1.029 3380 S CA 0.986 59.280 58.200 0.156 0.000 0.988 3380 S CB -0.321 62.927 63.200 0.080 0.000 0.838 3380 S HN 0.388 nan 8.310 nan 0.000 0.462 3381 L N 0.732 122.011 121.223 0.094 0.000 2.017 3381 L HA -0.111 4.227 4.340 -0.002 0.000 0.208 3381 L C 2.401 179.469 176.870 0.330 0.000 1.073 3381 L CA 0.845 55.753 54.840 0.113 0.000 0.745 3381 L CB -0.523 41.517 42.059 -0.031 0.000 0.894 3381 L HN 0.273 nan 8.230 nan 0.000 0.432 3382 L N -0.481 121.021 121.223 0.466 0.000 2.083 3382 L HA -0.264 4.075 4.340 -0.002 0.000 0.209 3382 L C 2.224 179.335 176.870 0.401 0.000 1.083 3382 L CA 1.781 56.899 54.840 0.464 0.000 0.752 3382 L CB -0.705 41.633 42.059 0.466 0.000 0.899 3382 L HN 0.371 nan 8.230 nan 0.000 0.433 3383 W N 0.134 121.546 121.300 0.186 0.000 2.388 3383 W HA -0.210 4.448 4.660 -0.002 0.000 0.294 3383 W C 1.981 178.598 176.519 0.163 0.000 1.212 3383 W CA 0.722 58.167 57.345 0.166 0.000 1.271 3383 W CB 0.109 29.631 29.460 0.104 0.000 1.126 3383 W HN 0.043 nan 8.180 nan 0.000 0.535 3384 K N 0.563 120.987 120.400 0.040 0.000 2.211 3384 K HA -0.075 4.243 4.320 -0.002 0.000 0.203 3384 K C 1.782 178.354 176.600 -0.046 0.000 1.050 3384 K CA 1.182 57.398 56.287 -0.118 0.000 0.945 3384 K CB -0.700 31.769 32.500 -0.051 0.000 0.732 3384 K HN 0.024 nan 8.250 nan 0.000 0.451 3385 S N 0.821 116.574 115.700 0.088 0.000 2.650 3385 S HA -0.038 4.431 4.470 -0.002 0.000 0.219 3385 S C 1.240 175.857 174.600 0.027 0.000 0.960 3385 S CA -0.199 58.068 58.200 0.112 0.000 0.925 3385 S CB -0.355 62.948 63.200 0.171 0.000 0.775 3385 S HN 0.274 nan 8.310 nan 0.000 0.525 3386 Y N 3.912 124.134 120.300 -0.129 0.000 2.062 3386 Y HA -0.241 4.308 4.550 -0.002 0.000 0.273 3386 Y C -0.674 175.160 175.900 -0.110 0.000 1.206 3386 Y CA 2.306 60.321 58.100 -0.143 0.000 1.125 3386 Y CB -1.290 36.946 38.460 -0.373 0.000 0.951 3386 Y HN 0.266 nan 8.280 nan 0.000 0.501 3387 P HA -0.202 nan 4.420 nan 0.000 0.219 3387 P C 1.487 178.692 177.300 -0.158 0.000 1.146 3387 P CA 1.921 64.978 63.100 -0.072 0.000 0.808 3387 P CB -0.179 31.526 31.700 0.009 0.000 0.779 3388 L N -0.928 120.206 121.223 -0.149 0.000 2.249 3388 L HA -0.002 4.336 4.340 -0.002 0.000 0.207 3388 L C 2.440 179.132 176.870 -0.297 0.000 1.090 3388 L CA 0.911 55.636 54.840 -0.193 0.000 0.802 3388 L CB -0.315 41.658 42.059 -0.143 0.000 0.947 3388 L HN -0.089 nan 8.230 nan 0.000 0.453 3389 V N -6.622 113.110 119.914 -0.304 0.000 3.572 3389 V HA 0.140 4.259 4.120 -0.002 0.000 0.260 3389 V C 1.123 177.027 176.094 -0.317 0.000 1.324 3389 V CA -0.430 61.682 62.300 -0.313 0.000 1.068 3389 V CB 0.036 31.704 31.823 -0.258 0.000 0.837 3389 V HN 0.400 nan 8.190 nan 0.000 0.450 3390 C N 1.563 120.518 119.300 -0.575 0.000 4.300 3390 C HA -0.159 4.299 4.460 -0.002 0.000 0.304 3390 C C 0.441 175.349 174.990 -0.137 0.000 1.367 3390 C CA 0.157 58.676 59.018 -0.832 0.000 2.032 3390 C CB -3.052 24.349 27.740 -0.565 0.000 1.285 3390 C HN 0.660 nan 8.230 nan 0.000 0.737 3391 I N 1.178 121.826 120.570 0.129 0.000 2.328 3391 I HA 0.485 4.654 4.170 -0.002 0.000 0.287 3391 I C 1.010 177.478 176.117 0.585 0.000 1.012 3391 I CA 0.033 61.585 61.300 0.421 0.000 1.195 3391 I CB 1.019 39.232 38.000 0.356 0.000 1.350 3391 I HN 0.512 nan 8.210 nan 0.000 0.464 3392 A N 6.072 129.204 122.820 0.520 0.000 2.586 3392 A HA -0.027 4.292 4.320 -0.002 0.000 0.231 3392 A C 1.525 179.257 177.584 0.247 0.000 1.055 3392 A CA 0.192 52.489 52.037 0.433 0.000 0.756 3392 A CB 0.202 19.357 19.000 0.257 0.000 0.988 3392 A HN 0.913 nan 8.150 nan 0.000 0.509 3393 K N 0.644 121.020 120.400 -0.041 0.000 2.103 3393 K HA -0.185 4.133 4.320 -0.002 0.000 0.207 3393 K C 1.805 178.303 176.600 -0.170 0.000 1.048 3393 K CA 1.834 57.895 56.287 -0.377 0.000 0.930 3393 K CB -0.037 31.824 32.500 -1.066 0.000 0.716 3393 K HN 0.889 nan 8.250 nan 0.000 0.444 3394 E N 0.672 120.810 120.200 -0.104 0.000 2.338 3394 E HA -0.193 4.156 4.350 -0.002 0.000 0.197 3394 E C 1.576 178.171 176.600 -0.009 0.000 1.007 3394 E CA 0.946 57.311 56.400 -0.058 0.000 0.849 3394 E CB -0.136 29.541 29.700 -0.039 0.000 0.774 3394 E HN 0.425 nan 8.360 nan 0.000 0.506 3395 L N 0.333 121.576 121.223 0.034 0.000 2.585 3395 L HA 0.088 4.426 4.340 -0.002 0.000 0.226 3395 L C 2.249 179.172 176.870 0.088 0.000 1.113 3395 L CA -0.285 54.584 54.840 0.049 0.000 0.876 3395 L CB -0.119 41.974 42.059 0.057 0.000 1.072 3395 L HN -0.008 nan 8.230 nan 0.000 0.468 3396 I N 1.118 121.753 120.570 0.109 0.000 2.151 3396 I HA -0.178 3.991 4.170 -0.002 0.000 0.243 3396 I C 0.032 176.226 176.117 0.129 0.000 1.080 3396 I CA 1.888 63.281 61.300 0.155 0.000 1.339 3396 I CB -2.176 35.914 38.000 0.150 0.000 1.039 3396 I HN 0.159 nan 8.210 nan 0.000 0.409 3397 P HA -0.166 nan 4.420 nan 0.000 0.215 3397 P C 1.583 178.929 177.300 0.077 0.000 1.157 3397 P CA 1.536 64.675 63.100 0.065 0.000 0.868 3397 P CB -0.031 31.687 31.700 0.030 0.000 0.788 3398 E N -0.462 119.779 120.200 0.070 0.000 2.077 3398 E HA -0.169 4.180 4.350 -0.002 0.000 0.193 3398 E C 2.123 178.811 176.600 0.146 0.000 0.989 3398 E CA 1.305 57.756 56.400 0.085 0.000 0.800 3398 E CB -0.652 29.081 29.700 0.055 0.000 0.746 3398 E HN 0.147 nan 8.360 nan 0.000 0.452 3399 A N 0.915 123.835 122.820 0.166 0.000 1.877 3399 A HA -0.183 4.135 4.320 -0.002 0.000 0.216 3399 A C 2.395 180.105 177.584 0.210 0.000 1.186 3399 A CA 1.964 54.124 52.037 0.205 0.000 0.620 3399 A CB -0.898 18.277 19.000 0.292 0.000 0.822 3399 A HN 0.190 nan 8.150 nan 0.000 0.443 3400 T N -0.477 114.197 114.554 0.200 0.000 2.737 3400 T HA -0.122 4.227 4.350 -0.002 0.000 0.265 3400 T C 1.921 176.714 174.700 0.154 0.000 1.038 3400 T CA 1.661 63.886 62.100 0.208 0.000 1.144 3400 T CB -0.253 68.728 68.868 0.188 0.000 0.866 3400 T HN 0.597 nan 8.240 nan 0.000 0.434 3401 E N 1.458 121.716 120.200 0.096 0.000 2.110 3401 E HA -0.144 4.204 4.350 -0.002 0.000 0.193 3401 E C 2.051 178.646 176.600 -0.008 0.000 0.988 3401 E CA 1.308 57.736 56.400 0.046 0.000 0.804 3401 E CB -0.203 29.515 29.700 0.030 0.000 0.745 3401 E HN 0.275 nan 8.360 nan 0.000 0.458 3402 K N -1.011 119.351 120.400 -0.062 0.000 2.097 3402 K HA -0.116 4.203 4.320 -0.002 0.000 0.205 3402 K C 1.607 178.032 176.600 -0.292 0.000 1.050 3402 K CA 1.441 57.554 56.287 -0.290 0.000 0.938 3402 K CB -0.459 31.599 32.500 -0.737 0.000 0.718 3402 K HN 0.256 nan 8.250 nan 0.000 0.442 3403 Y N -0.461 119.739 120.300 -0.167 0.000 2.389 3403 Y HA 0.180 4.729 4.550 -0.002 0.000 0.292 3403 Y C 1.697 177.600 175.900 0.005 0.000 1.117 3403 Y CA 0.761 58.821 58.100 -0.067 0.000 1.195 3403 Y CB 0.373 38.846 38.460 0.023 0.000 1.076 3403 Y HN -0.092 nan 8.280 nan 0.000 0.548 3404 L N -2.290 119.042 121.223 0.182 0.000 2.357 3404 L HA 0.216 4.554 4.340 -0.002 0.000 0.211 3404 L C 2.369 179.280 176.870 0.067 0.000 1.075 3404 L CA 0.855 55.777 54.840 0.135 0.000 0.830 3404 L CB -1.037 41.118 42.059 0.160 0.000 0.996 3404 L HN 0.188 nan 8.230 nan 0.000 0.467 3405 G N 0.651 109.477 108.800 0.043 0.000 2.537 3405 G HA2 -0.192 3.766 3.960 -0.002 0.000 0.220 3405 G HA3 -0.192 3.766 3.960 -0.002 0.000 0.220 3405 G C 1.467 176.367 174.900 0.000 0.000 1.111 3405 G CA 0.784 45.894 45.100 0.018 0.000 0.748 3405 G HN 0.490 nan 8.290 nan 0.000 0.564 3406 G N -0.514 108.280 108.800 -0.010 0.000 2.534 3406 G HA2 0.276 4.235 3.960 -0.002 0.000 0.217 3406 G HA3 0.276 4.235 3.960 -0.002 0.000 0.217 3406 G C 0.811 175.710 174.900 -0.002 0.000 1.128 3406 G CA 1.321 46.409 45.100 -0.019 0.000 0.784 3406 G HN 0.761 nan 8.290 nan 0.000 0.542 3407 T N -4.492 110.070 114.554 0.013 0.000 2.864 3407 T HA 0.469 4.817 4.350 -0.002 0.000 0.299 3407 T C -0.320 174.395 174.700 0.025 0.000 1.166 3407 T CA -0.656 61.455 62.100 0.019 0.000 1.007 3407 T CB 2.402 71.285 68.868 0.025 0.000 1.219 3407 T HN -0.153 nan 8.240 nan 0.000 0.506 3408 D N -0.340 120.074 120.400 0.022 0.000 2.392 3408 D HA 0.031 4.669 4.640 -0.002 0.000 0.206 3408 D C -0.058 176.258 176.300 0.027 0.000 1.046 3408 D CA 0.102 54.116 54.000 0.022 0.000 0.865 3408 D CB 0.337 41.147 40.800 0.017 0.000 0.969 3408 D HN 0.609 nan 8.370 nan 0.000 0.509 3409 D N 1.813 122.231 120.400 0.029 0.000 2.368 3409 D HA -0.055 4.584 4.640 -0.002 0.000 0.268 3409 D C 1.391 177.716 176.300 0.042 0.000 1.298 3409 D CA 0.311 54.330 54.000 0.033 0.000 0.938 3409 D CB 0.944 41.764 40.800 0.034 0.000 1.101 3409 D HN 0.068 nan 8.370 nan 0.000 0.509 3410 T N 0.202 114.779 114.554 0.038 0.000 3.072 3410 T HA -0.066 4.282 4.350 -0.002 0.000 0.266 3410 T C 1.851 176.583 174.700 0.053 0.000 1.127 3410 T CA 0.361 62.486 62.100 0.042 0.000 1.107 3410 T CB 0.101 68.987 68.868 0.031 0.000 0.910 3410 T HN 0.203 nan 8.240 nan 0.000 0.513 3411 V N 1.213 121.158 119.914 0.053 0.000 2.446 3411 V HA 0.045 4.164 4.120 -0.002 0.000 0.244 3411 V C 2.723 178.864 176.094 0.078 0.000 1.039 3411 V CA 1.438 63.775 62.300 0.062 0.000 1.045 3411 V CB -0.494 31.359 31.823 0.051 0.000 0.681 3411 V HN 0.436 nan 8.190 nan 0.000 0.459 3412 K N 0.146 120.589 120.400 0.072 0.000 2.217 3412 K HA -0.128 4.190 4.320 -0.002 0.000 0.202 3412 K C 2.158 178.823 176.600 0.109 0.000 1.051 3412 K CA 1.038 57.374 56.287 0.083 0.000 0.952 3412 K CB 0.006 32.544 32.500 0.064 0.000 0.736 3412 K HN 0.364 nan 8.250 nan 0.000 0.453 3413 K N 0.738 121.201 120.400 0.105 0.000 2.057 3413 K HA -0.176 4.143 4.320 -0.002 0.000 0.206 3413 K C 2.013 178.725 176.600 0.187 0.000 1.050 3413 K CA 1.817 58.183 56.287 0.132 0.000 0.935 3413 K CB 0.015 32.573 32.500 0.097 0.000 0.715 3413 K HN 0.117 nan 8.250 nan 0.000 0.439 3414 K N 0.914 121.412 120.400 0.163 0.000 2.097 3414 K HA -0.122 4.197 4.320 -0.002 0.000 0.205 3414 K C 1.432 178.199 176.600 0.278 0.000 1.050 3414 K CA 1.871 58.289 56.287 0.218 0.000 0.938 3414 K CB -0.105 32.488 32.500 0.156 0.000 0.718 3414 K HN -0.066 nan 8.250 nan 0.000 0.442 3415 D N 0.858 121.382 120.400 0.207 0.000 2.117 3415 D HA -0.086 4.553 4.640 -0.002 0.000 0.197 3415 D C 1.888 178.316 176.300 0.213 0.000 0.987 3415 D CA 1.186 55.302 54.000 0.193 0.000 0.829 3415 D CB -0.069 40.817 40.800 0.144 0.000 0.961 3415 D HN 0.240 nan 8.370 nan 0.000 0.460 3416 L N -0.369 120.991 121.223 0.227 0.000 2.217 3416 L HA -0.091 4.248 4.340 -0.002 0.000 0.211 3416 L C 2.235 179.273 176.870 0.279 0.000 1.107 3416 L CA 0.273 55.271 54.840 0.264 0.000 0.783 3416 L CB -0.277 41.934 42.059 0.254 0.000 0.919 3416 L HN -0.035 nan 8.230 nan 0.000 0.442 3417 F N 0.903 120.935 119.950 0.138 0.000 2.146 3417 F HA -0.173 4.352 4.527 -0.003 0.000 0.298 3417 F C 2.131 177.960 175.800 0.049 0.000 1.096 3417 F CA 1.441 59.496 58.000 0.092 0.000 1.275 3417 F CB -0.151 38.922 39.000 0.122 0.000 1.008 3417 F HN -0.129 nan 8.300 nan 0.000 0.480 3418 L N -0.246 121.046 121.223 0.116 0.000 2.083 3418 L HA -0.214 4.124 4.340 -0.002 0.000 0.209 3418 L C 2.170 179.034 176.870 -0.011 0.000 1.083 3418 L CA 1.315 56.200 54.840 0.075 0.000 0.752 3418 L CB -0.884 41.331 42.059 0.260 0.000 0.899 3418 L HN 0.093 nan 8.230 nan 0.000 0.433 3419 D N 0.351 120.784 120.400 0.055 0.000 2.117 3419 D HA -0.167 4.472 4.640 -0.002 0.000 0.197 3419 D C 2.124 178.392 176.300 -0.053 0.000 0.987 3419 D CA 1.259 55.315 54.000 0.094 0.000 0.829 3419 D CB -0.081 40.861 40.800 0.237 0.000 0.961 3419 D HN 0.216 nan 8.370 nan 0.000 0.460 3420 L N 0.813 121.846 121.223 -0.317 0.000 2.083 3420 L HA -0.135 4.203 4.340 -0.002 0.000 0.209 3420 L C 1.907 178.422 176.870 -0.592 0.000 1.083 3420 L CA 1.475 55.872 54.840 -0.739 0.000 0.752 3420 L CB -0.765 40.700 42.059 -0.990 0.000 0.899 3420 L HN -0.072 nan 8.230 nan 0.000 0.433 3421 I N 0.722 120.907 120.570 -0.642 0.000 2.163 3421 I HA -0.209 3.960 4.170 -0.002 0.000 0.240 3421 I C 2.785 178.612 176.117 -0.483 0.000 1.081 3421 I CA 1.439 62.289 61.300 -0.750 0.000 1.353 3421 I CB -1.937 35.292 38.000 -1.285 0.000 1.054 3421 I HN 0.401 nan 8.210 nan 0.000 0.407 3422 A N 0.973 123.660 122.820 -0.221 0.000 1.883 3422 A HA -0.240 4.079 4.320 -0.002 0.000 0.217 3422 A C 1.981 179.588 177.584 0.039 0.000 1.186 3422 A CA 2.182 54.273 52.037 0.092 0.000 0.624 3422 A CB -0.703 18.403 19.000 0.176 0.000 0.822 3422 A HN 0.401 nan 8.150 nan 0.000 0.444 3423 D N -0.386 119.978 120.400 -0.060 0.000 2.144 3423 D HA -0.089 4.550 4.640 -0.002 0.000 0.199 3423 D C 2.033 178.166 176.300 -0.278 0.000 0.984 3423 D CA 1.476 55.442 54.000 -0.056 0.000 0.834 3423 D CB -0.419 40.449 40.800 0.113 0.000 0.955 3423 D HN 0.261 nan 8.370 nan 0.000 0.465 3424 V N 0.699 120.292 119.914 -0.535 0.000 2.453 3424 V HA -0.146 3.973 4.120 -0.002 0.000 0.247 3424 V C 2.388 178.190 176.094 -0.486 0.000 1.048 3424 V CA 1.140 63.038 62.300 -0.670 0.000 1.049 3424 V CB -0.281 31.035 31.823 -0.845 0.000 0.672 3424 V HN 0.177 nan 8.190 nan 0.000 0.457 3425 M N -1.747 117.552 119.600 -0.501 0.000 2.248 3425 M HA 0.093 4.571 4.480 -0.002 0.000 0.265 3425 M C 1.764 177.536 176.300 -0.879 0.000 1.079 3425 M CA 1.985 56.839 55.300 -0.742 0.000 1.150 3425 M CB -0.007 32.021 32.600 -0.953 0.000 1.366 3425 M HN 0.355 nan 8.290 nan 0.000 0.433 3426 F N -1.801 118.074 119.950 -0.125 0.000 2.495 3426 F HA 0.350 4.875 4.527 -0.002 0.000 0.272 3426 F C 2.370 178.119 175.800 -0.086 0.000 0.919 3426 F CA 0.208 58.161 58.000 -0.078 0.000 1.178 3426 F CB -1.242 37.751 39.000 -0.011 0.000 1.030 3426 F HN 0.025 nan 8.300 nan 0.000 0.777 3427 G N 1.012 109.895 108.800 0.138 0.000 2.545 3427 G HA2 -0.229 3.729 3.960 -0.002 0.000 0.217 3427 G HA3 -0.229 3.729 3.960 -0.002 0.000 0.217 3427 G C 1.712 176.615 174.900 0.004 0.000 1.218 3427 G CA 1.835 46.967 45.100 0.052 0.000 0.787 3427 G HN 0.171 nan 8.290 nan 0.000 0.571 3428 V N 2.178 122.091 119.914 -0.001 0.000 2.261 3428 V HA -0.108 4.010 4.120 -0.002 0.000 0.246 3428 V C 0.426 176.505 176.094 -0.024 0.000 1.047 3428 V CA 2.344 64.656 62.300 0.020 0.000 1.015 3428 V CB -1.091 30.760 31.823 0.048 0.000 0.642 3428 V HN 0.288 nan 8.190 nan 0.000 0.446 3429 P HA -0.111 nan 4.420 nan 0.000 0.216 3429 P C 1.990 179.234 177.300 -0.093 0.000 1.150 3429 P CA 1.801 64.841 63.100 -0.099 0.000 0.837 3429 P CB -0.071 31.536 31.700 -0.154 0.000 0.786 3430 S N -0.861 114.784 115.700 -0.092 0.000 2.356 3430 S HA -0.104 4.365 4.470 -0.002 0.000 0.223 3430 S C 2.003 176.491 174.600 -0.187 0.000 1.032 3430 S CA 1.227 59.340 58.200 -0.145 0.000 1.005 3430 S CB -1.222 61.893 63.200 -0.142 0.000 0.867 3430 S HN -0.038 nan 8.310 nan 0.000 0.449 3431 V N 2.254 122.084 119.914 -0.139 0.000 2.358 3431 V HA -0.142 3.977 4.120 -0.002 0.000 0.246 3431 V C 2.068 178.133 176.094 -0.049 0.000 1.047 3431 V CA 1.420 63.644 62.300 -0.126 0.000 1.035 3431 V CB -0.689 31.108 31.823 -0.042 0.000 0.658 3431 V HN 0.452 nan 8.190 nan 0.000 0.452 3432 I N -0.314 120.244 120.570 -0.020 0.000 2.264 3432 I HA -0.214 3.955 4.170 -0.002 0.000 0.248 3432 I C 2.355 178.469 176.117 -0.006 0.000 1.111 3432 I CA 1.252 62.559 61.300 0.012 0.000 1.382 3432 I CB -0.403 37.603 38.000 0.010 0.000 1.060 3432 I HN 0.164 nan 8.210 nan 0.000 0.418 3433 V N 0.935 120.810 119.914 -0.064 0.000 2.427 3433 V HA -0.237 3.882 4.120 -0.002 0.000 0.248 3433 V C 2.693 178.739 176.094 -0.081 0.000 1.051 3433 V CA 1.833 64.084 62.300 -0.082 0.000 1.048 3433 V CB -0.823 30.919 31.823 -0.136 0.000 0.666 3433 V HN 0.474 nan 8.190 nan 0.000 0.456 3434 A N -0.022 122.698 122.820 -0.166 0.000 1.877 3434 A HA -0.222 4.097 4.320 -0.002 0.000 0.216 3434 A C 2.374 180.024 177.584 0.110 0.000 1.186 3434 A CA 1.806 53.730 52.037 -0.189 0.000 0.620 3434 A CB -0.485 18.186 19.000 -0.548 0.000 0.822 3434 A HN 0.480 nan 8.150 nan 0.000 0.443 3435 R N -0.463 120.139 120.500 0.169 0.000 2.083 3435 R HA -0.155 4.183 4.340 -0.002 0.000 0.237 3435 R C 2.045 178.462 176.300 0.194 0.000 1.137 3435 R CA 1.872 58.121 56.100 0.248 0.000 0.951 3435 R CB -0.465 29.949 30.300 0.191 0.000 0.851 3435 R HN 0.663 nan 8.270 nan 0.000 0.434 3436 N N -0.758 118.040 118.700 0.164 0.000 2.166 3436 N HA -0.179 4.559 4.740 -0.002 0.000 0.186 3436 N C 1.657 177.351 175.510 0.307 0.000 1.019 3436 N CA 1.137 54.305 53.050 0.197 0.000 0.856 3436 N CB -0.127 38.458 38.487 0.163 0.000 0.993 3436 N HN 0.265 nan 8.380 nan 0.000 0.426 3437 H N 0.771 119.957 119.070 0.193 0.000 2.357 3437 H HA 0.062 4.617 4.556 -0.002 0.000 0.301 3437 H C 2.200 177.688 175.328 0.266 0.000 1.082 3437 H CA 1.431 57.654 56.048 0.292 0.000 1.342 3437 H CB 0.130 30.022 29.762 0.218 0.000 1.389 3437 H HN 0.029 nan 8.280 nan 0.000 0.511 3438 R N 0.407 121.073 120.500 0.277 0.000 2.080 3438 R HA -0.136 4.203 4.340 -0.002 0.000 0.236 3438 R C 1.108 177.467 176.300 0.098 0.000 1.137 3438 R CA 2.046 58.253 56.100 0.178 0.000 0.943 3438 R CB -0.245 30.182 30.300 0.212 0.000 0.846 3438 R HN 0.371 nan 8.270 nan 0.000 0.431 3439 D N 0.223 120.690 120.400 0.111 0.000 2.351 3439 D HA -0.091 4.548 4.640 -0.002 0.000 0.216 3439 D C 1.205 177.529 176.300 0.040 0.000 0.968 3439 D CA 1.092 55.133 54.000 0.068 0.000 0.899 3439 D CB 0.074 40.921 40.800 0.078 0.000 0.907 3439 D HN 0.430 nan 8.370 nan 0.000 0.514 3440 A N -0.398 122.451 122.820 0.048 0.000 2.251 3440 A HA 0.435 4.753 4.320 -0.002 0.000 0.209 3440 A C 1.820 179.351 177.584 -0.089 0.000 1.187 3440 A CA 0.889 52.898 52.037 -0.047 0.000 0.823 3440 A CB 0.027 18.992 19.000 -0.058 0.000 0.846 3440 A HN 0.224 nan 8.150 nan 0.000 0.486 3441 G N -2.226 106.547 108.800 -0.045 0.000 2.157 3441 G HA2 0.131 4.089 3.960 -0.002 0.000 0.239 3441 G HA3 0.131 4.089 3.960 -0.002 0.000 0.239 3441 G C 0.328 175.204 174.900 -0.040 0.000 0.982 3441 G CA 0.233 45.308 45.100 -0.041 0.000 0.650 3441 G HN 1.548 nan 8.290 nan 0.000 0.527 3442 A N 0.165 122.941 122.820 -0.072 0.000 2.295 3442 A HA 0.851 5.170 4.320 -0.002 0.000 0.318 3442 A C -2.263 175.373 177.584 0.086 0.000 1.134 3442 A CA -1.533 50.487 52.037 -0.028 0.000 0.827 3442 A CB 0.946 19.854 19.000 -0.154 0.000 1.136 3442 A HN 0.079 nan 8.150 nan 0.000 0.493 3443 P HA 0.243 nan 4.420 nan 0.000 0.264 3443 P C -0.566 176.860 177.300 0.210 0.000 1.193 3443 P CA 0.696 63.868 63.100 0.121 0.000 0.763 3443 P CB 0.719 32.520 31.700 0.169 0.000 0.810 3444 T N 3.066 117.618 114.554 -0.003 0.000 2.912 3444 T HA 0.557 4.906 4.350 -0.002 0.000 0.299 3444 T C -1.137 173.396 174.700 -0.277 0.000 1.052 3444 T CA -0.282 61.852 62.100 0.056 0.000 0.996 3444 T CB 0.800 69.798 68.868 0.217 0.000 1.070 3444 T HN 0.107 nan 8.240 nan 0.000 0.465 3445 Y N 1.069 121.375 120.300 0.010 0.000 2.524 3445 Y HA 0.712 5.260 4.550 -0.002 0.000 0.347 3445 Y C -0.064 175.825 175.900 -0.018 0.000 1.005 3445 Y CA -1.118 56.971 58.100 -0.019 0.000 1.025 3445 Y CB 2.086 40.284 38.460 -0.438 0.000 1.275 3445 Y HN 0.377 nan 8.280 nan 0.000 0.460 3446 M N 3.069 122.906 119.600 0.394 0.000 2.619 3446 M HA 0.539 5.017 4.480 -0.002 0.000 0.297 3446 M C -1.593 174.988 176.300 0.468 0.000 1.229 3446 M CA -0.998 54.402 55.300 0.166 0.000 0.860 3446 M CB 3.220 35.696 32.600 -0.207 0.000 1.741 3446 M HN 0.772 nan 8.290 nan 0.000 0.462 3447 Y N -1.422 119.008 120.300 0.217 0.000 2.625 3447 Y HA 0.747 5.295 4.550 -0.002 0.000 0.338 3447 Y C -1.616 174.373 175.900 0.147 0.000 1.123 3447 Y CA -0.980 57.202 58.100 0.136 0.000 1.046 3447 Y CB 1.604 40.084 38.460 0.033 0.000 1.299 3447 Y HN 0.696 nan 8.280 nan 0.000 0.464 3448 E N 2.381 122.835 120.200 0.425 0.000 2.244 3448 E HA 0.323 4.671 4.350 -0.002 0.000 0.260 3448 E C -2.252 174.611 176.600 0.437 0.000 0.884 3448 E CA -0.805 55.789 56.400 0.324 0.000 0.777 3448 E CB 1.363 31.204 29.700 0.236 0.000 1.197 3448 E HN 0.636 nan 8.360 nan 0.000 0.416 3449 F N 3.837 124.008 119.950 0.368 0.000 2.411 3449 F HA 0.253 4.778 4.527 -0.002 0.000 0.350 3449 F C -0.266 175.649 175.800 0.192 0.000 1.114 3449 F CA -0.107 58.051 58.000 0.264 0.000 1.135 3449 F CB 1.107 40.281 39.000 0.290 0.000 1.120 3449 F HN 0.448 nan 8.300 nan 0.000 0.495 3450 Q N 7.236 126.804 119.800 -0.386 0.000 2.891 3450 Q HA 0.255 4.593 4.340 -0.002 0.000 0.242 3450 Q C -2.338 173.501 176.000 -0.269 0.000 0.959 3450 Q CA -0.583 55.104 55.803 -0.194 0.000 0.707 3450 Q CB 0.833 29.540 28.738 -0.052 0.000 1.283 3450 Q HN 0.788 nan 8.270 nan 0.000 0.480 3451 Y N 0.913 120.956 120.300 -0.427 0.000 2.521 3451 Y HA 0.380 4.929 4.550 -0.003 0.000 0.332 3451 Y C -1.927 173.978 175.900 0.009 0.000 1.121 3451 Y CA -0.879 57.063 58.100 -0.262 0.000 1.037 3451 Y CB 1.569 39.772 38.460 -0.427 0.000 1.330 3451 Y HN 0.486 nan 8.280 nan 0.000 0.452 3452 R N 7.393 127.480 120.500 -0.689 0.000 2.247 3452 R HA 0.450 4.789 4.340 -0.002 0.000 0.329 3452 R C -2.703 173.215 176.300 -0.637 0.000 1.014 3452 R CA -1.987 53.845 56.100 -0.447 0.000 0.907 3452 R CB 0.748 30.837 30.300 -0.351 0.000 1.146 3452 R HN 0.429 nan 8.270 nan 0.000 0.499 3453 P HA -0.026 nan 4.420 nan 0.000 0.269 3453 P C 0.099 177.127 177.300 -0.454 0.000 1.215 3453 P CA 0.048 63.014 63.100 -0.223 0.000 0.780 3453 P CB 1.219 32.905 31.700 -0.024 0.000 0.898 3454 S N 0.381 115.674 115.700 -0.679 0.000 2.607 3454 S HA -0.005 4.463 4.470 -0.002 0.000 0.224 3454 S C 1.146 175.335 174.600 -0.684 0.000 0.969 3454 S CA 0.205 58.011 58.200 -0.657 0.000 0.927 3454 S CB -1.071 61.730 63.200 -0.665 0.000 0.772 3454 S HN 0.392 nan 8.310 nan 0.000 0.533 3455 F N 2.163 121.871 119.950 -0.403 0.000 2.797 3455 F HA 0.327 4.852 4.527 -0.003 0.000 0.302 3455 F C 1.327 176.862 175.800 -0.442 0.000 1.130 3455 F CA -0.573 57.128 58.000 -0.498 0.000 1.387 3455 F CB -0.336 38.124 39.000 -0.900 0.000 1.107 3455 F HN 0.038 nan 8.300 nan 0.000 0.577 3456 S N 0.146 115.687 115.700 -0.264 0.000 2.572 3456 S HA 0.004 4.473 4.470 -0.002 0.000 0.267 3456 S C 0.577 175.104 174.600 -0.121 0.000 1.361 3456 S CA -0.523 57.583 58.200 -0.158 0.000 1.009 3456 S CB 0.753 63.828 63.200 -0.208 0.000 0.888 3456 S HN 0.275 nan 8.310 nan 0.000 0.553 3457 S N 0.082 115.718 115.700 -0.105 0.000 2.585 3457 S HA 0.038 4.507 4.470 -0.002 0.000 0.273 3457 S C 0.812 175.306 174.600 -0.176 0.000 1.339 3457 S CA -0.598 57.554 58.200 -0.080 0.000 1.028 3457 S CB 0.186 63.406 63.200 0.033 0.000 0.906 3457 S HN 0.626 nan 8.310 nan 0.000 0.528 3458 D N 3.033 123.377 120.400 -0.094 0.000 2.264 3458 D HA -0.068 4.570 4.640 -0.002 0.000 0.208 3458 D C 1.392 177.620 176.300 -0.120 0.000 0.966 3458 D CA 1.208 55.147 54.000 -0.101 0.000 0.864 3458 D CB -0.007 40.764 40.800 -0.048 0.000 0.933 3458 D HN 0.612 nan 8.370 nan 0.000 0.499 3459 M N 0.172 119.711 119.600 -0.100 0.000 2.556 3459 M HA 0.011 4.490 4.480 -0.002 0.000 0.245 3459 M C 0.929 177.040 176.300 -0.314 0.000 1.128 3459 M CA 0.264 55.544 55.300 -0.035 0.000 1.069 3459 M CB 0.333 33.077 32.600 0.241 0.000 1.469 3459 M HN -0.267 nan 8.290 nan 0.000 0.494 3460 K N 2.432 122.357 120.400 -0.791 0.000 2.248 3460 K HA 0.294 4.612 4.320 -0.002 0.000 0.281 3460 K C -2.477 173.747 176.600 -0.625 0.000 1.054 3460 K CA -1.767 53.719 56.287 -1.335 0.000 0.903 3460 K CB 0.895 32.490 32.500 -1.508 0.000 1.077 3460 K HN -0.156 nan 8.250 nan 0.000 0.474 3461 P HA -0.023 nan 4.420 nan 0.000 0.266 3461 P C 0.003 177.177 177.300 -0.210 0.000 1.195 3461 P CA -0.196 62.769 63.100 -0.225 0.000 0.768 3461 P CB 0.597 32.227 31.700 -0.116 0.000 0.838 3462 K N 1.248 121.553 120.400 -0.158 0.000 2.280 3462 K HA -0.090 4.229 4.320 -0.002 0.000 0.202 3462 K C 1.615 178.145 176.600 -0.116 0.000 1.047 3462 K CA 1.727 57.926 56.287 -0.147 0.000 0.942 3462 K CB -1.050 31.377 32.500 -0.121 0.000 0.739 3462 K HN 0.620 nan 8.250 nan 0.000 0.457 3463 T N -1.448 113.056 114.554 -0.083 0.000 2.995 3463 T HA 0.002 4.351 4.350 -0.002 0.000 0.269 3463 T C 1.077 175.755 174.700 -0.035 0.000 1.091 3463 T CA 0.010 62.081 62.100 -0.048 0.000 1.128 3463 T CB -0.251 68.607 68.868 -0.016 0.000 0.891 3463 T HN -0.183 nan 8.240 nan 0.000 0.492 3464 V N 2.745 122.629 119.914 -0.050 0.000 2.446 3464 V HA 0.350 4.468 4.120 -0.002 0.000 0.276 3464 V C 0.098 176.178 176.094 -0.024 0.000 1.030 3464 V CA -0.291 62.003 62.300 -0.010 0.000 1.033 3464 V CB -0.147 31.672 31.823 -0.007 0.000 0.993 3464 V HN 0.441 nan 8.190 nan 0.000 0.477 3465 I N 3.497 124.075 120.570 0.013 0.000 2.498 3465 I HA 0.627 4.796 4.170 -0.002 0.000 0.290 3465 I C 0.906 177.070 176.117 0.078 0.000 1.032 3465 I CA -0.591 60.710 61.300 0.001 0.000 1.073 3465 I CB 1.879 39.860 38.000 -0.032 0.000 1.251 3465 I HN 0.772 nan 8.210 nan 0.000 0.426 3466 G N 3.432 112.313 108.800 0.135 0.000 2.272 3466 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.280 3466 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.280 3466 G C -0.239 174.807 174.900 0.243 0.000 1.067 3466 G CA 0.075 45.332 45.100 0.261 0.000 0.902 3466 G HN 0.746 nan 8.290 nan 0.000 0.500 3467 D N -0.772 119.762 120.400 0.224 0.000 2.360 3467 D HA 0.346 4.985 4.640 -0.002 0.000 0.242 3467 D C 0.942 177.386 176.300 0.239 0.000 1.184 3467 D CA -0.466 53.672 54.000 0.230 0.000 0.930 3467 D CB 0.350 41.304 40.800 0.257 0.000 1.161 3467 D HN 0.372 nan 8.370 nan 0.000 0.447 3468 H N -0.032 119.102 119.070 0.107 0.000 3.125 3468 H HA 0.260 4.814 4.556 -0.002 0.000 0.310 3468 H C 1.383 176.793 175.328 0.135 0.000 0.980 3468 H CA 1.902 57.975 56.048 0.041 0.000 1.422 3468 H CB 0.006 29.772 29.762 0.006 0.000 1.432 3468 H HN 0.589 nan 8.280 nan 0.000 0.577 3469 G N 4.177 112.769 108.800 -0.346 0.000 2.199 3469 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.254 3469 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.254 3469 G C 1.220 176.001 174.900 -0.197 0.000 0.982 3469 G CA 0.514 45.354 45.100 -0.434 0.000 0.632 3469 G HN 0.648 nan 8.290 nan 0.000 0.529 3470 D N 0.947 121.383 120.400 0.060 0.000 2.218 3470 D HA -0.039 4.599 4.640 -0.002 0.000 0.204 3470 D C 2.419 178.723 176.300 0.006 0.000 0.976 3470 D CA 1.392 55.548 54.000 0.260 0.000 0.853 3470 D CB -0.054 40.989 40.800 0.404 0.000 0.939 3470 D HN 0.720 nan 8.370 nan 0.000 0.481 3471 E N 1.094 120.953 120.200 -0.569 0.000 2.358 3471 E HA -0.116 4.232 4.350 -0.002 0.000 0.195 3471 E C 2.113 178.382 176.600 -0.551 0.000 1.010 3471 E CA 0.209 55.897 56.400 -1.186 0.000 0.856 3471 E CB -0.631 28.297 29.700 -1.287 0.000 0.795 3471 E HN 0.322 nan 8.360 nan 0.000 0.504 3472 L N -0.153 120.822 121.223 -0.414 0.000 2.079 3472 L HA -0.146 4.192 4.340 -0.002 0.000 0.210 3472 L C 2.473 179.121 176.870 -0.370 0.000 1.081 3472 L CA 1.478 56.075 54.840 -0.405 0.000 0.752 3472 L CB -0.630 41.056 42.059 -0.621 0.000 0.896 3472 L HN 0.023 nan 8.230 nan 0.000 0.433 3473 F N -0.566 119.324 119.950 -0.100 0.000 2.234 3473 F HA -0.167 4.359 4.527 -0.003 0.000 0.299 3473 F C 2.643 178.415 175.800 -0.048 0.000 1.087 3473 F CA 1.144 59.109 58.000 -0.058 0.000 1.340 3473 F CB -0.543 38.517 39.000 0.100 0.000 1.031 3473 F HN -0.024 nan 8.300 nan 0.000 0.500 3474 S N -0.075 115.666 115.700 0.068 0.000 2.362 3474 S HA -0.099 4.370 4.470 -0.002 0.000 0.221 3474 S C 2.308 176.780 174.600 -0.212 0.000 1.032 3474 S CA 1.029 59.211 58.200 -0.030 0.000 0.973 3474 S CB -0.549 62.630 63.200 -0.035 0.000 0.849 3474 S HN 0.113 nan 8.310 nan 0.000 0.465 3475 V N 0.914 120.578 119.914 -0.415 0.000 2.332 3475 V HA -0.162 3.957 4.120 -0.002 0.000 0.248 3475 V C 1.540 177.292 176.094 -0.570 0.000 1.055 3475 V CA 1.707 63.614 62.300 -0.655 0.000 1.038 3475 V CB -0.736 30.640 31.823 -0.746 0.000 0.651 3475 V HN 0.447 nan 8.190 nan 0.000 0.450 3476 F N 0.381 120.140 119.950 -0.317 0.000 2.692 3476 F HA 0.453 4.979 4.527 -0.002 0.000 0.303 3476 F C 1.679 177.379 175.800 -0.167 0.000 1.114 3476 F CA 0.501 58.342 58.000 -0.265 0.000 1.361 3476 F CB -0.270 38.521 39.000 -0.348 0.000 1.063 3476 F HN 0.255 nan 8.300 nan 0.000 0.550 3477 G N 0.849 109.654 108.800 0.007 0.000 2.323 3477 G HA2 -0.295 3.663 3.960 -0.002 0.000 0.292 3477 G HA3 -0.295 3.663 3.960 -0.002 0.000 0.292 3477 G C 1.260 176.233 174.900 0.123 0.000 1.040 3477 G CA 0.303 45.499 45.100 0.160 0.000 0.942 3477 G HN 0.573 nan 8.290 nan 0.000 0.506 3478 A N 0.229 123.038 122.820 -0.017 0.000 1.908 3478 A HA 0.087 4.405 4.320 -0.002 0.000 0.218 3478 A C 0.610 178.055 177.584 -0.232 0.000 1.181 3478 A CA 2.130 54.036 52.037 -0.217 0.000 0.627 3478 A CB -0.815 17.900 19.000 -0.476 0.000 0.818 3478 A HN 0.475 nan 8.150 nan 0.000 0.445 3479 P HA -0.098 nan 4.420 nan 0.000 0.229 3479 P C 0.367 177.376 177.300 -0.485 0.000 1.150 3479 P CA 0.942 63.903 63.100 -0.232 0.000 0.765 3479 P CB -0.160 31.297 31.700 -0.405 0.000 0.783 3480 F N -2.990 116.968 119.950 0.013 0.000 2.706 3480 F HA 0.241 4.766 4.527 -0.003 0.000 0.308 3480 F C 1.726 177.549 175.800 0.040 0.000 1.095 3480 F CA 0.140 58.166 58.000 0.042 0.000 1.244 3480 F CB 0.006 39.016 39.000 0.017 0.000 1.063 3480 F HN -0.203 nan 8.300 nan 0.000 0.582 3481 L N -1.429 119.861 121.223 0.112 0.000 2.624 3481 L HA 0.229 4.568 4.340 -0.002 0.000 0.222 3481 L C 0.717 177.599 176.870 0.020 0.000 1.046 3481 L CA 0.032 54.910 54.840 0.063 0.000 0.872 3481 L CB -0.036 42.035 42.059 0.020 0.000 1.190 3481 L HN -0.259 nan 8.230 nan 0.000 0.487 3482 K N 1.161 121.541 120.400 -0.033 0.000 2.180 3482 K HA 0.100 4.418 4.320 -0.002 0.000 0.251 3482 K C -0.054 176.584 176.600 0.062 0.000 1.014 3482 K CA 0.124 56.406 56.287 -0.008 0.000 0.913 3482 K CB 0.434 32.895 32.500 -0.066 0.000 1.008 3482 K HN -0.072 nan 8.250 nan 0.000 0.490 3483 E N 0.212 120.460 120.200 0.080 0.000 2.229 3483 E HA 0.261 4.610 4.350 -0.002 0.000 0.283 3483 E C -0.430 176.214 176.600 0.072 0.000 1.030 3483 E CA -0.123 56.318 56.400 0.068 0.000 0.836 3483 E CB 0.595 30.324 29.700 0.049 0.000 1.068 3483 E HN 0.702 nan 8.360 nan 0.000 0.401 3484 G N 3.119 111.949 108.800 0.049 0.000 2.296 3484 G HA2 -0.157 3.801 3.960 -0.002 0.000 0.263 3484 G HA3 -0.157 3.801 3.960 -0.002 0.000 0.263 3484 G C -0.091 174.817 174.900 0.013 0.000 0.887 3484 G CA 0.308 45.423 45.100 0.025 0.000 1.318 3484 G HN 0.594 nan 8.290 nan 0.000 0.403 3485 A N 1.784 124.611 122.820 0.012 0.000 2.295 3485 A HA 0.921 5.239 4.320 -0.002 0.000 0.318 3485 A C 0.962 178.508 177.584 -0.063 0.000 1.134 3485 A CA 0.467 52.488 52.037 -0.026 0.000 0.827 3485 A CB 0.836 19.876 19.000 0.067 0.000 1.136 3485 A HN 2.229 nan 8.150 nan 0.000 0.493 3486 S N 0.822 116.470 115.700 -0.088 0.000 2.579 3486 S HA 0.092 4.560 4.470 -0.002 0.000 0.275 3486 S C 0.590 175.159 174.600 -0.052 0.000 1.345 3486 S CA -0.070 58.093 58.200 -0.061 0.000 1.031 3486 S CB 0.581 63.748 63.200 -0.056 0.000 0.892 3486 S HN 0.653 nan 8.310 nan 0.000 0.529 3487 E N 1.187 121.365 120.200 -0.036 0.000 2.118 3487 E HA -0.208 4.141 4.350 -0.002 0.000 0.195 3487 E C 1.869 178.448 176.600 -0.036 0.000 0.992 3487 E CA 1.537 57.920 56.400 -0.029 0.000 0.804 3487 E CB -0.370 29.322 29.700 -0.012 0.000 0.741 3487 E HN 0.964 nan 8.360 nan 0.000 0.458 3488 E N 1.022 121.203 120.200 -0.032 0.000 2.051 3488 E HA -0.225 4.124 4.350 -0.002 0.000 0.192 3488 E C 2.013 178.556 176.600 -0.094 0.000 0.991 3488 E CA 1.193 57.568 56.400 -0.043 0.000 0.799 3488 E CB -0.006 29.692 29.700 -0.004 0.000 0.748 3488 E HN 0.241 nan 8.360 nan 0.000 0.449 3489 E N 0.154 120.316 120.200 -0.064 0.000 2.077 3489 E HA -0.166 4.182 4.350 -0.002 0.000 0.193 3489 E C 2.196 178.728 176.600 -0.112 0.000 0.989 3489 E CA 1.126 57.475 56.400 -0.086 0.000 0.800 3489 E CB -0.045 29.657 29.700 0.003 0.000 0.746 3489 E HN 0.361 nan 8.360 nan 0.000 0.452 3490 I N 0.455 120.947 120.570 -0.130 0.000 2.226 3490 I HA -0.283 3.886 4.170 -0.002 0.000 0.245 3490 I C 2.749 178.840 176.117 -0.044 0.000 1.100 3490 I CA 1.004 62.180 61.300 -0.206 0.000 1.374 3490 I CB -0.232 37.656 38.000 -0.187 0.000 1.057 3490 I HN 0.085 nan 8.210 nan 0.000 0.413 3491 R N 0.810 121.292 120.500 -0.030 0.000 2.081 3491 R HA -0.220 4.119 4.340 -0.002 0.000 0.235 3491 R C 2.367 178.650 176.300 -0.027 0.000 1.131 3491 R CA 1.549 57.648 56.100 -0.002 0.000 0.960 3491 R CB -0.273 30.012 30.300 -0.025 0.000 0.856 3491 R HN 0.238 nan 8.270 nan 0.000 0.436 3492 L N 0.367 121.532 121.223 -0.097 0.000 2.046 3492 L HA -0.125 4.213 4.340 -0.002 0.000 0.208 3492 L C 2.308 179.151 176.870 -0.045 0.000 1.077 3492 L CA 2.186 56.952 54.840 -0.124 0.000 0.747 3492 L CB -0.724 41.148 42.059 -0.312 0.000 0.896 3492 L HN 0.118 nan 8.230 nan 0.000 0.432 3493 S N -0.929 114.765 115.700 -0.010 0.000 2.368 3493 S HA -0.196 4.273 4.470 -0.002 0.000 0.224 3493 S C 2.068 176.718 174.600 0.082 0.000 1.029 3493 S CA 1.364 59.592 58.200 0.046 0.000 0.988 3493 S CB -0.216 63.050 63.200 0.108 0.000 0.838 3493 S HN 0.533 nan 8.310 nan 0.000 0.462 3494 K N 0.484 120.979 120.400 0.158 0.000 2.063 3494 K HA -0.098 4.220 4.320 -0.002 0.000 0.208 3494 K C 2.301 178.898 176.600 -0.006 0.000 1.048 3494 K CA 1.692 58.040 56.287 0.101 0.000 0.928 3494 K CB -0.276 32.319 32.500 0.158 0.000 0.713 3494 K HN 0.469 nan 8.250 nan 0.000 0.442 3495 M N 0.743 120.322 119.600 -0.035 0.000 2.132 3495 M HA -0.150 4.329 4.480 -0.002 0.000 0.263 3495 M C 1.908 178.158 176.300 -0.083 0.000 1.065 3495 M CA 1.439 56.656 55.300 -0.138 0.000 1.122 3495 M CB 0.122 32.653 32.600 -0.114 0.000 1.365 3495 M HN -0.061 nan 8.290 nan 0.000 0.411 3496 V N 1.001 120.921 119.914 0.012 0.000 2.307 3496 V HA -0.302 3.816 4.120 -0.002 0.000 0.245 3496 V C 2.432 178.519 176.094 -0.012 0.000 1.045 3496 V CA 1.955 64.266 62.300 0.018 0.000 1.024 3496 V CB -0.630 31.035 31.823 -0.263 0.000 0.651 3496 V HN 0.552 nan 8.190 nan 0.000 0.449 3497 M N -1.008 118.534 119.600 -0.096 0.000 2.213 3497 M HA -0.165 4.313 4.480 -0.002 0.000 0.263 3497 M C 2.363 178.707 176.300 0.074 0.000 1.062 3497 M CA 1.534 56.794 55.300 -0.067 0.000 1.105 3497 M CB -0.449 32.080 32.600 -0.119 0.000 1.385 3497 M HN 0.178 nan 8.290 nan 0.000 0.417 3498 K N 0.469 120.894 120.400 0.042 0.000 1.985 3498 K HA -0.094 4.225 4.320 -0.002 0.000 0.210 3498 K C 1.790 178.489 176.600 0.163 0.000 1.047 3498 K CA 1.753 58.056 56.287 0.026 0.000 0.932 3498 K CB -0.679 31.744 32.500 -0.129 0.000 0.716 3498 K HN 0.324 nan 8.250 nan 0.000 0.439 3499 F N -0.515 119.586 119.950 0.253 0.000 2.095 3499 F HA -0.268 4.257 4.527 -0.002 0.000 0.298 3499 F C 2.585 178.559 175.800 0.291 0.000 1.104 3499 F CA 0.760 58.950 58.000 0.317 0.000 1.232 3499 F CB -0.284 39.072 39.000 0.593 0.000 0.987 3499 F HN 0.251 nan 8.300 nan 0.000 0.475 3500 W N 0.032 121.440 121.300 0.180 0.000 2.358 3500 W HA -0.230 4.429 4.660 -0.002 0.000 0.303 3500 W C 2.578 179.108 176.519 0.019 0.000 1.208 3500 W CA 1.014 58.379 57.345 0.034 0.000 1.274 3500 W CB -0.519 28.899 29.460 -0.069 0.000 1.138 3500 W HN 0.001 nan 8.180 nan 0.000 0.515 3501 A N 0.324 123.285 122.820 0.234 0.000 1.929 3501 A HA -0.175 4.144 4.320 -0.002 0.000 0.216 3501 A C 1.703 179.339 177.584 0.088 0.000 1.176 3501 A CA 1.496 53.596 52.037 0.105 0.000 0.628 3501 A CB -0.874 18.169 19.000 0.071 0.000 0.816 3501 A HN 0.202 nan 8.150 nan 0.000 0.444 3502 N N -0.754 118.018 118.700 0.121 0.000 2.120 3502 N HA -0.128 4.610 4.740 -0.002 0.000 0.188 3502 N C 1.379 176.916 175.510 0.045 0.000 1.024 3502 N CA 1.334 54.432 53.050 0.081 0.000 0.852 3502 N CB -0.605 37.950 38.487 0.114 0.000 1.003 3502 N HN 0.505 nan 8.380 nan 0.000 0.424 3503 F N 1.835 121.720 119.950 -0.109 0.000 2.134 3503 F HA -0.110 4.415 4.527 -0.002 0.000 0.299 3503 F C 2.194 177.919 175.800 -0.124 0.000 1.097 3503 F CA 1.261 59.138 58.000 -0.205 0.000 1.264 3503 F CB -0.483 38.302 39.000 -0.358 0.000 1.001 3503 F HN 0.039 nan 8.300 nan 0.000 0.479 3504 A N 1.200 124.002 122.820 -0.030 0.000 1.908 3504 A HA -0.234 4.085 4.320 -0.002 0.000 0.218 3504 A C 2.284 179.800 177.584 -0.113 0.000 1.181 3504 A CA 2.093 54.078 52.037 -0.086 0.000 0.627 3504 A CB -0.740 18.241 19.000 -0.032 0.000 0.818 3504 A HN 0.598 nan 8.150 nan 0.000 0.445 3505 R N -1.788 118.663 120.500 -0.081 0.000 2.173 3505 R HA 0.143 4.482 4.340 -0.002 0.000 0.208 3505 R C 0.601 176.840 176.300 -0.102 0.000 1.035 3505 R CA 1.107 57.164 56.100 -0.072 0.000 1.004 3505 R CB -0.174 30.108 30.300 -0.030 0.000 0.917 3505 R HN 0.386 nan 8.270 nan 0.000 0.462 3506 N N -0.104 118.515 118.700 -0.134 0.000 2.210 3506 N HA 0.099 4.837 4.740 -0.002 0.000 0.203 3506 N C 0.779 176.169 175.510 -0.199 0.000 1.175 3506 N CA 0.858 53.833 53.050 -0.125 0.000 0.894 3506 N CB 1.501 39.952 38.487 -0.062 0.000 1.041 3506 N HN 0.432 nan 8.380 nan 0.000 0.506 3507 G N 1.294 109.835 108.800 -0.432 0.000 2.148 3507 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.254 3507 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.254 3507 G C -0.104 174.617 174.900 -0.299 0.000 0.981 3507 G CA 0.302 45.015 45.100 -0.645 0.000 0.670 3507 G HN 0.458 nan 8.290 nan 0.000 0.528 3508 N N -0.415 118.174 118.700 -0.184 0.000 2.397 3508 N HA 0.422 5.160 4.740 -0.002 0.000 0.291 3508 N C -1.665 173.755 175.510 -0.150 0.000 1.065 3508 N CA -1.439 51.541 53.050 -0.117 0.000 0.884 3508 N CB 2.462 40.959 38.487 0.017 0.000 1.551 3508 N HN -0.043 nan 8.380 nan 0.000 0.487 3509 P HA -0.024 nan 4.420 nan 0.000 0.227 3509 P C -0.180 177.212 177.300 0.154 0.000 1.161 3509 P CA 0.370 63.378 63.100 -0.153 0.000 0.788 3509 P CB 0.384 31.678 31.700 -0.676 0.000 0.822 3510 N N 0.874 119.615 118.700 0.068 0.000 2.395 3510 N HA 0.224 4.963 4.740 -0.002 0.000 0.246 3510 N C 0.919 176.540 175.510 0.185 0.000 1.246 3510 N CA 1.303 54.489 53.050 0.226 0.000 0.879 3510 N CB 0.386 38.985 38.487 0.187 0.000 1.098 3510 N HN 0.176 nan 8.380 nan 0.000 0.444 3511 G N 0.389 109.303 108.800 0.190 0.000 2.506 3511 G HA2 0.245 4.204 3.960 -0.002 0.000 0.292 3511 G HA3 0.245 4.204 3.960 -0.002 0.000 0.292 3511 G C -1.534 173.420 174.900 0.091 0.000 1.425 3511 G CA -0.649 44.518 45.100 0.111 0.000 0.788 3511 G HN 0.322 nan 8.290 nan 0.000 0.490 3512 E N -0.116 120.119 120.200 0.059 0.000 2.415 3512 E HA 0.430 4.778 4.350 -0.002 0.000 0.263 3512 E C 1.200 177.814 176.600 0.024 0.000 0.995 3512 E CA 1.280 57.707 56.400 0.046 0.000 0.915 3512 E CB 0.788 30.508 29.700 0.033 0.000 0.951 3512 E HN 1.851 nan 8.360 nan 0.000 0.449 3513 G N 2.201 111.019 108.800 0.030 0.000 2.179 3513 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.260 3513 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.260 3513 G C -0.053 174.840 174.900 -0.012 0.000 0.977 3513 G CA 0.084 45.190 45.100 0.009 0.000 0.641 3513 G HN 0.354 nan 8.290 nan 0.000 0.533 3514 L N 1.785 123.010 121.223 0.002 0.000 2.334 3514 L HA 0.538 4.876 4.340 -0.002 0.000 0.276 3514 L C -1.458 175.513 176.870 0.168 0.000 1.014 3514 L CA -2.368 52.450 54.840 -0.037 0.000 0.815 3514 L CB 1.621 43.538 42.059 -0.238 0.000 1.268 3514 L HN -0.066 nan 8.230 nan 0.000 0.428 3515 P HA -0.037 nan 4.420 nan 0.000 0.269 3515 P C -0.865 176.677 177.300 0.403 0.000 1.215 3515 P CA -0.172 63.099 63.100 0.284 0.000 0.780 3515 P CB 0.407 32.250 31.700 0.238 0.000 0.898 3516 H N 1.639 120.850 119.070 0.236 0.000 2.929 3516 H HA 0.113 4.668 4.556 -0.002 0.000 0.317 3516 H C -0.908 174.594 175.328 0.290 0.000 1.031 3516 H CA 0.237 56.438 56.048 0.255 0.000 1.466 3516 H CB 0.072 29.939 29.762 0.175 0.000 1.482 3516 H HN 0.373 nan 8.280 nan 0.000 0.561 3517 W N 10.067 131.090 121.300 -0.461 0.000 2.296 3517 W HA 0.311 4.969 4.660 -0.003 0.000 0.316 3517 W C -2.807 173.464 176.519 -0.413 0.000 1.022 3517 W CA -3.254 53.870 57.345 -0.367 0.000 1.324 3517 W CB 0.801 30.006 29.460 -0.425 0.000 1.227 3517 W HN 0.566 nan 8.180 nan 0.000 0.409 3518 P HA 0.006 nan 4.420 nan 0.000 0.271 3518 P C -0.028 177.516 177.300 0.406 0.000 1.218 3518 P CA 0.280 63.525 63.100 0.241 0.000 0.780 3518 P CB 1.319 33.174 31.700 0.259 0.000 0.901 3519 E N 1.836 122.180 120.200 0.240 0.000 2.398 3519 E HA -0.051 4.298 4.350 -0.002 0.000 0.263 3519 E C -0.864 175.726 176.600 -0.017 0.000 1.046 3519 E CA -0.352 55.965 56.400 -0.138 0.000 0.908 3519 E CB 0.232 29.830 29.700 -0.170 0.000 0.963 3519 E HN 0.398 nan 8.360 nan 0.000 0.431 3520 Y N 5.797 125.966 120.300 -0.218 0.000 2.568 3520 Y HA 0.030 4.579 4.550 -0.002 0.000 0.338 3520 Y C -0.051 175.828 175.900 -0.035 0.000 1.245 3520 Y CA -0.362 57.717 58.100 -0.035 0.000 1.667 3520 Y CB -0.666 37.787 38.460 -0.012 0.000 1.568 3520 Y HN 0.436 nan 8.280 nan 0.000 0.471 3521 N N 0.157 118.722 118.700 -0.224 0.000 2.786 3521 N HA 0.100 4.839 4.740 -0.002 0.000 0.315 3521 N C 0.741 176.093 175.510 -0.264 0.000 1.359 3521 N CA -0.368 52.574 53.050 -0.181 0.000 0.846 3521 N CB 0.147 38.586 38.487 -0.080 0.000 1.117 3521 N HN 0.188 nan 8.380 nan 0.000 0.541 3522 Q N -0.218 119.497 119.800 -0.141 0.000 2.291 3522 Q HA -0.027 4.312 4.340 -0.002 0.000 0.206 3522 Q C 0.955 176.881 176.000 -0.122 0.000 0.976 3522 Q CA 1.239 56.970 55.803 -0.120 0.000 0.875 3522 Q CB -0.336 28.369 28.738 -0.056 0.000 0.927 3522 Q HN 0.616 nan 8.270 nan 0.000 0.450 3523 K N 0.604 120.938 120.400 -0.110 0.000 2.432 3523 K HA -0.031 4.288 4.320 -0.002 0.000 0.196 3523 K C -0.078 176.469 176.600 -0.089 0.000 1.038 3523 K CA 0.027 56.277 56.287 -0.062 0.000 0.986 3523 K CB 0.249 32.741 32.500 -0.014 0.000 0.782 3523 K HN 0.234 nan 8.250 nan 0.000 0.485 3524 E N 0.020 120.056 120.200 -0.274 0.000 2.389 3524 E HA -0.151 4.198 4.350 -0.002 0.000 0.243 3524 E C 0.042 176.687 176.600 0.075 0.000 1.154 3524 E CA 0.130 56.274 56.400 -0.427 0.000 0.723 3524 E CB -1.674 27.911 29.700 -0.192 0.000 1.261 3524 E HN 0.487 nan 8.360 nan 0.000 0.390 3525 G N 0.643 109.509 108.800 0.109 0.000 2.467 3525 G HA2 0.418 4.376 3.960 -0.002 0.000 0.257 3525 G HA3 0.418 4.376 3.960 -0.002 0.000 0.257 3525 G C -0.320 174.873 174.900 0.488 0.000 1.227 3525 G CA 0.076 45.324 45.100 0.246 0.000 0.835 3525 G HN 0.315 nan 8.290 nan 0.000 0.556 3526 Y N -0.381 120.058 120.300 0.232 0.000 2.638 3526 Y HA 0.685 5.233 4.550 -0.002 0.000 0.335 3526 Y C -1.470 174.414 175.900 -0.026 0.000 1.155 3526 Y CA -1.803 56.424 58.100 0.211 0.000 1.046 3526 Y CB 1.475 40.047 38.460 0.186 0.000 1.303 3526 Y HN 0.564 nan 8.280 nan 0.000 0.460 3527 L N 2.519 123.586 121.223 -0.260 0.000 2.309 3527 L HA 0.480 4.818 4.340 -0.002 0.000 0.282 3527 L C -0.772 175.951 176.870 -0.244 0.000 1.036 3527 L CA -0.414 54.069 54.840 -0.595 0.000 0.806 3527 L CB 1.729 42.910 42.059 -1.464 0.000 1.220 3527 L HN 0.776 nan 8.230 nan 0.000 0.429 3528 Q N 5.977 125.641 119.800 -0.226 0.000 2.390 3528 Q HA 0.447 4.785 4.340 -0.002 0.000 0.249 3528 Q C -0.985 174.963 176.000 -0.087 0.000 0.996 3528 Q CA -0.156 55.621 55.803 -0.044 0.000 0.899 3528 Q CB 1.323 30.032 28.738 -0.048 0.000 1.216 3528 Q HN 0.575 nan 8.270 nan 0.000 0.465 3529 I N 1.842 122.383 120.570 -0.048 0.000 2.365 3529 I HA 0.644 4.812 4.170 -0.002 0.000 0.291 3529 I C 0.706 176.678 176.117 -0.242 0.000 1.004 3529 I CA -0.199 61.045 61.300 -0.094 0.000 1.311 3529 I CB 1.339 39.349 38.000 0.017 0.000 1.401 3529 I HN 0.731 nan 8.210 nan 0.000 0.491 3530 G N 3.154 111.817 108.800 -0.227 0.000 2.364 3530 G HA2 0.378 4.336 3.960 -0.002 0.000 0.286 3530 G HA3 0.378 4.336 3.960 -0.002 0.000 0.286 3530 G C 0.245 175.034 174.900 -0.186 0.000 1.241 3530 G CA 0.055 44.994 45.100 -0.268 0.000 0.887 3530 G HN 0.553 nan 8.290 nan 0.000 0.484 3531 A N -0.550 122.219 122.820 -0.085 0.000 1.940 3531 A HA 0.084 4.403 4.320 -0.002 0.000 0.219 3531 A C 1.003 178.556 177.584 -0.052 0.000 1.176 3531 A CA 1.697 53.696 52.037 -0.063 0.000 0.631 3531 A CB -0.608 18.421 19.000 0.048 0.000 0.814 3531 A HN 0.574 nan 8.150 nan 0.000 0.446 3532 N N -0.357 118.319 118.700 -0.040 0.000 2.479 3532 N HA 0.409 5.148 4.740 -0.002 0.000 0.261 3532 N C -1.443 174.044 175.510 -0.038 0.000 0.979 3532 N CA -0.154 52.879 53.050 -0.028 0.000 0.930 3532 N CB 1.585 40.062 38.487 -0.016 0.000 1.172 3532 N HN 0.022 nan 8.380 nan 0.000 0.499 3533 T N 2.379 116.917 114.554 -0.026 0.000 2.758 3533 T HA 0.413 4.762 4.350 -0.002 0.000 0.285 3533 T C -0.555 174.133 174.700 -0.020 0.000 0.981 3533 T CA -0.544 61.539 62.100 -0.027 0.000 0.965 3533 T CB 0.867 69.748 68.868 0.022 0.000 0.927 3533 T HN 0.418 nan 8.240 nan 0.000 0.448 3534 Q N 1.259 121.021 119.800 -0.064 0.000 2.511 3534 Q HA 0.780 5.118 4.340 -0.002 0.000 0.289 3534 Q C -0.862 175.051 176.000 -0.145 0.000 1.021 3534 Q CA -0.981 54.785 55.803 -0.062 0.000 0.785 3534 Q CB 1.282 29.994 28.738 -0.044 0.000 1.472 3534 Q HN 0.718 nan 8.270 nan 0.000 0.411 3535 A N 0.418 123.169 122.820 -0.114 0.000 2.304 3535 A HA 0.905 5.223 4.320 -0.002 0.000 0.271 3535 A C -0.521 176.911 177.584 -0.252 0.000 1.091 3535 A CA 0.473 52.401 52.037 -0.182 0.000 0.812 3535 A CB 0.380 19.363 19.000 -0.029 0.000 1.056 3535 A HN 0.881 nan 8.150 nan 0.000 0.489 3536 A N 0.495 123.042 122.820 -0.455 0.000 2.568 3536 A HA 0.740 5.059 4.320 -0.002 0.000 0.291 3536 A C -0.976 176.395 177.584 -0.355 0.000 1.159 3536 A CA -0.584 51.181 52.037 -0.453 0.000 0.679 3536 A CB 0.995 19.611 19.000 -0.640 0.000 1.285 3536 A HN 0.831 nan 8.150 nan 0.000 0.428 3537 Q N -0.023 119.772 119.800 -0.009 0.000 2.456 3537 Q HA 0.594 4.932 4.340 -0.002 0.000 0.283 3537 Q C -1.338 174.897 176.000 0.392 0.000 1.084 3537 Q CA -0.967 54.975 55.803 0.233 0.000 0.801 3537 Q CB 2.099 30.906 28.738 0.115 0.000 1.434 3537 Q HN 0.637 nan 8.270 nan 0.000 0.419 3538 K N 0.887 121.490 120.400 0.338 0.000 3.239 3538 K HA -0.197 4.122 4.320 -0.002 0.000 0.270 3538 K C -0.716 175.985 176.600 0.169 0.000 1.049 3538 K CA -0.033 56.388 56.287 0.224 0.000 0.769 3538 K CB -1.306 31.283 32.500 0.147 0.000 1.305 3538 K HN 0.460 nan 8.250 nan 0.000 0.469 3539 L N 1.938 123.174 121.223 0.021 0.000 2.584 3539 L HA -0.024 4.314 4.340 -0.002 0.000 0.272 3539 L C 0.642 177.452 176.870 -0.101 0.000 1.195 3539 L CA 0.893 55.527 54.840 -0.342 0.000 0.920 3539 L CB 0.204 41.726 42.059 -0.895 0.000 1.173 3539 L HN 0.285 nan 8.230 nan 0.000 0.489 3540 K N 2.941 123.317 120.400 -0.040 0.000 3.020 3540 K HA -0.308 4.011 4.320 -0.002 0.000 0.266 3540 K C 1.092 177.742 176.600 0.083 0.000 1.067 3540 K CA 1.263 57.574 56.287 0.040 0.000 0.780 3540 K CB -1.657 30.865 32.500 0.036 0.000 1.220 3540 K HN 0.982 nan 8.250 nan 0.000 0.483 3541 D N 1.159 121.607 120.400 0.080 0.000 2.104 3541 D HA -0.176 4.463 4.640 -0.002 0.000 0.194 3541 D C 1.333 177.693 176.300 0.100 0.000 0.994 3541 D CA 1.487 55.544 54.000 0.094 0.000 0.830 3541 D CB 0.251 41.104 40.800 0.088 0.000 0.959 3541 D HN 0.503 nan 8.370 nan 0.000 0.452 3542 K N -0.102 120.349 120.400 0.086 0.000 2.155 3542 K HA -0.102 4.217 4.320 -0.002 0.000 0.203 3542 K C 2.220 178.897 176.600 0.128 0.000 1.052 3542 K CA 0.833 57.167 56.287 0.078 0.000 0.948 3542 K CB 0.061 32.577 32.500 0.027 0.000 0.728 3542 K HN 0.067 nan 8.250 nan 0.000 0.448 3543 E N 0.646 120.949 120.200 0.172 0.000 2.077 3543 E HA -0.134 4.215 4.350 -0.002 0.000 0.193 3543 E C 1.967 178.836 176.600 0.448 0.000 0.989 3543 E CA 0.866 57.468 56.400 0.337 0.000 0.800 3543 E CB -0.193 29.740 29.700 0.389 0.000 0.746 3543 E HN -0.029 nan 8.360 nan 0.000 0.452 3544 V N 0.994 121.089 119.914 0.302 0.000 2.343 3544 V HA -0.299 3.819 4.120 -0.002 0.000 0.247 3544 V C 2.214 178.445 176.094 0.227 0.000 1.051 3544 V CA 1.870 64.331 62.300 0.269 0.000 1.036 3544 V CB -0.870 31.056 31.823 0.171 0.000 0.654 3544 V HN 0.366 nan 8.190 nan 0.000 0.451 3545 A N -0.426 122.496 122.820 0.170 0.000 1.877 3545 A HA -0.254 4.064 4.320 -0.002 0.000 0.216 3545 A C 2.116 179.750 177.584 0.084 0.000 1.186 3545 A CA 2.155 54.259 52.037 0.112 0.000 0.620 3545 A CB -0.725 18.329 19.000 0.090 0.000 0.822 3545 A HN 0.536 nan 8.150 nan 0.000 0.443 3546 F N -0.826 119.101 119.950 -0.037 0.000 2.051 3546 F HA -0.175 4.350 4.527 -0.002 0.000 0.296 3546 F C 2.019 177.676 175.800 -0.237 0.000 1.122 3546 F CA 1.856 59.738 58.000 -0.196 0.000 1.201 3546 F CB -0.624 38.163 39.000 -0.355 0.000 0.978 3546 F HN 0.375 nan 8.300 nan 0.000 0.472 3547 W N 0.480 121.734 121.300 -0.076 0.000 2.388 3547 W HA -0.128 4.531 4.660 -0.002 0.000 0.294 3547 W C 2.582 179.017 176.519 -0.140 0.000 1.212 3547 W CA 1.631 58.836 57.345 -0.233 0.000 1.271 3547 W CB -1.087 28.433 29.460 0.100 0.000 1.126 3547 W HN -0.108 nan 8.180 nan 0.000 0.535 3548 T N -0.046 114.623 114.554 0.193 0.000 2.746 3548 T HA -0.267 4.081 4.350 -0.002 0.000 0.267 3548 T C 1.429 176.154 174.700 0.041 0.000 1.039 3548 T CA 1.801 64.000 62.100 0.165 0.000 1.142 3548 T CB -0.546 68.397 68.868 0.124 0.000 0.866 3548 T HN 0.168 nan 8.240 nan 0.000 0.444 3549 N N 0.641 119.285 118.700 -0.093 0.000 2.142 3549 N HA -0.040 4.699 4.740 -0.002 0.000 0.186 3549 N C 1.716 177.092 175.510 -0.224 0.000 1.023 3549 N CA 0.688 53.651 53.050 -0.146 0.000 0.852 3549 N CB -0.433 37.942 38.487 -0.186 0.000 0.998 3549 N HN 0.145 nan 8.380 nan 0.000 0.424 3550 L N -0.243 120.707 121.223 -0.455 0.000 1.994 3550 L HA 0.016 4.355 4.340 -0.002 0.000 0.208 3550 L C 1.704 178.425 176.870 -0.248 0.000 1.071 3550 L CA 1.697 56.228 54.840 -0.515 0.000 0.745 3550 L CB -0.916 40.578 42.059 -0.942 0.000 0.892 3550 L HN 0.240 nan 8.230 nan 0.000 0.431 3551 F N -0.873 119.066 119.950 -0.019 0.000 2.365 3551 F HA -0.130 4.396 4.527 -0.002 0.000 0.300 3551 F C 2.350 178.153 175.800 0.004 0.000 1.090 3551 F CA 0.519 58.536 58.000 0.027 0.000 1.408 3551 F CB -0.499 38.532 39.000 0.052 0.000 1.060 3551 F HN 0.199 nan 8.300 nan 0.000 0.534 3552 A N -0.008 122.898 122.820 0.143 0.000 2.067 3552 A HA -0.082 4.237 4.320 -0.002 0.000 0.219 3552 A C 1.377 178.991 177.584 0.052 0.000 1.158 3552 A CA 0.516 52.601 52.037 0.081 0.000 0.661 3552 A CB -0.425 18.600 19.000 0.041 0.000 0.801 3552 A HN 0.199 nan 8.150 nan 0.000 0.452 3553 K N 0.000 120.418 120.400 0.031 0.000 2.780 3553 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 3553 K CA 0.000 56.297 56.287 0.017 0.000 0.838 3553 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 3553 K HN 0.000 nan 8.250 nan 0.000 0.543