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 1mx9_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 0.000 174.705 174.600 0.174 0.000 1.055 3022 S CA 0.000 58.278 58.200 0.130 0.000 1.107 3022 S CB 0.000 63.254 63.200 0.091 0.000 0.593 3023 P HA 0.293 nan 4.420 nan 0.000 0.270 3023 P C -2.719 174.465 177.300 -0.193 0.000 1.221 3023 P CA -0.552 62.482 63.100 -0.110 0.000 0.788 3023 P CB -0.271 31.370 31.700 -0.099 0.000 0.904 3024 P HA 0.227 nan 4.420 nan 0.000 0.293 3024 P C -1.245 176.041 177.300 -0.023 0.000 1.300 3024 P CA -0.091 62.813 63.100 -0.326 0.000 0.792 3024 P CB 0.813 32.103 31.700 -0.683 0.000 0.925 3025 V N 4.842 124.799 119.914 0.072 0.000 2.380 3025 V HA 0.281 4.406 4.120 0.008 0.000 0.286 3025 V C 0.077 176.218 176.094 0.079 0.000 1.015 3025 V CA -0.601 61.771 62.300 0.121 0.000 0.834 3025 V CB 1.904 33.777 31.823 0.084 0.000 1.009 3025 V HN 0.246 nan 8.190 nan 0.000 0.428 3026 V N 3.306 123.246 119.914 0.044 0.000 2.732 3026 V HA 0.503 4.628 4.120 0.008 0.000 0.310 3026 V C -0.157 175.857 176.094 -0.133 0.000 1.053 3026 V CA -0.575 61.599 62.300 -0.210 0.000 0.957 3026 V CB 2.201 33.562 31.823 -0.771 0.000 1.018 3026 V HN 0.780 nan 8.190 nan 0.000 0.452 3027 D N 1.340 121.642 120.400 -0.163 0.000 2.277 3027 D HA 0.656 5.301 4.640 0.008 0.000 0.250 3027 D C -0.188 176.052 176.300 -0.100 0.000 1.032 3027 D CA 0.153 54.108 54.000 -0.075 0.000 0.947 3027 D CB 2.220 42.973 40.800 -0.079 0.000 1.159 3027 D HN 0.835 nan 8.370 nan 0.000 0.460 3028 T N -2.567 111.968 114.554 -0.031 0.000 2.812 3028 T HA 0.270 4.625 4.350 0.008 0.000 0.294 3028 T C 1.241 175.835 174.700 -0.176 0.000 1.159 3028 T CA -0.685 61.388 62.100 -0.046 0.000 1.008 3028 T CB 0.717 69.714 68.868 0.215 0.000 1.289 3028 T HN -0.001 nan 8.240 nan 0.000 0.514 3029 V N 1.000 120.735 119.914 -0.299 0.000 2.332 3029 V HA -0.168 3.957 4.120 0.008 0.000 0.248 3029 V C 2.421 178.286 176.094 -0.381 0.000 1.055 3029 V CA 1.798 63.873 62.300 -0.374 0.000 1.038 3029 V CB -1.126 30.379 31.823 -0.529 0.000 0.651 3029 V HN 0.872 nan 8.190 nan 0.000 0.450 3030 H N -0.033 118.845 119.070 -0.321 0.000 2.555 3030 H HA 0.408 4.970 4.556 0.011 0.000 0.269 3030 H C 1.043 175.625 175.328 -1.243 0.000 0.988 3030 H CA 0.920 56.573 56.048 -0.659 0.000 1.178 3030 H CB 0.166 29.545 29.762 -0.638 0.000 1.373 3030 H HN 0.558 nan 8.280 nan 0.000 0.588 3031 G N -0.077 108.280 108.800 -0.739 0.000 2.350 3031 G HA2 0.061 4.026 3.960 0.008 0.000 0.282 3031 G HA3 0.061 4.026 3.960 0.008 0.000 0.282 3031 G C -1.444 173.521 174.900 0.109 0.000 1.314 3031 G CA -1.110 43.626 45.100 -0.607 0.000 0.915 3031 G HN 0.064 nan 8.290 nan 0.000 0.499 3032 K N -0.367 120.296 120.400 0.439 0.000 2.110 3032 K HA 0.659 4.984 4.320 0.008 0.000 0.263 3032 K C -0.036 176.883 176.600 0.533 0.000 0.975 3032 K CA -0.660 55.866 56.287 0.398 0.000 0.895 3032 K CB 2.200 34.858 32.500 0.264 0.000 1.060 3032 K HN 0.993 nan 8.250 nan 0.000 0.448 3033 V N 0.383 120.510 119.914 0.353 0.000 2.540 3033 V HA 0.462 4.587 4.120 0.008 0.000 0.302 3033 V C -0.890 175.390 176.094 0.311 0.000 1.035 3033 V CA -1.069 61.426 62.300 0.324 0.000 0.873 3033 V CB 1.601 33.654 31.823 0.383 0.000 0.992 3033 V HN 0.583 nan 8.190 nan 0.000 0.428 3034 L N 5.116 126.472 121.223 0.223 0.000 2.265 3034 L HA 0.861 5.206 4.340 0.008 0.000 0.289 3034 L C 0.437 177.344 176.870 0.061 0.000 1.033 3034 L CA 0.777 55.698 54.840 0.134 0.000 0.814 3034 L CB 0.729 42.817 42.059 0.048 0.000 1.203 3034 L HN 1.017 nan 8.230 nan 0.000 0.423 3035 G N 5.243 113.973 108.800 -0.118 0.000 2.940 3035 G HA2 0.620 4.585 3.960 0.008 0.000 0.164 3035 G HA3 0.620 4.585 3.960 0.008 0.000 0.164 3035 G C -1.094 173.517 174.900 -0.482 0.000 1.326 3035 G CA -0.465 44.310 45.100 -0.541 0.000 1.020 3035 G HN 0.700 nan 8.290 nan 0.000 0.586 3036 K N -1.286 118.757 120.400 -0.596 0.000 2.546 3036 K HA 0.509 4.834 4.320 0.008 0.000 0.264 3036 K C -1.827 174.556 176.600 -0.362 0.000 0.937 3036 K CA -0.806 55.244 56.287 -0.396 0.000 0.833 3036 K CB 1.655 34.018 32.500 -0.228 0.000 1.378 3036 K HN 0.296 nan 8.250 nan 0.000 0.432 3037 F N 1.478 121.361 119.950 -0.111 0.000 2.394 3037 F HA 0.441 4.974 4.527 0.009 0.000 0.340 3037 F C -0.154 175.626 175.800 -0.034 0.000 1.105 3037 F CA -0.831 57.131 58.000 -0.063 0.000 1.124 3037 F CB 1.912 40.895 39.000 -0.028 0.000 1.145 3037 F HN 0.104 nan 8.300 nan 0.000 0.505 3038 V N 2.642 122.694 119.914 0.230 0.000 2.709 3038 V HA 0.355 4.480 4.120 0.008 0.000 0.308 3038 V C -0.563 175.604 176.094 0.122 0.000 1.062 3038 V CA -0.712 61.671 62.300 0.138 0.000 0.901 3038 V CB 2.168 34.060 31.823 0.115 0.000 1.003 3038 V HN 0.727 nan 8.190 nan 0.000 0.425 3039 S N 3.702 119.458 115.700 0.093 0.000 2.549 3039 S HA 0.791 5.266 4.470 0.008 0.000 0.297 3039 S C -0.834 173.827 174.600 0.101 0.000 1.115 3039 S CA -0.402 57.848 58.200 0.083 0.000 1.059 3039 S CB 1.554 64.791 63.200 0.063 0.000 1.046 3039 S HN 0.526 nan 8.310 nan 0.000 0.506 3040 L N 2.430 123.731 121.223 0.130 0.000 2.362 3040 L HA 0.514 4.859 4.340 0.008 0.000 0.271 3040 L C -0.385 176.666 176.870 0.303 0.000 1.002 3040 L CA -0.425 54.524 54.840 0.182 0.000 0.818 3040 L CB 1.515 43.617 42.059 0.072 0.000 1.298 3040 L HN 0.443 nan 8.230 nan 0.000 0.420 3041 E N 2.924 123.279 120.200 0.259 0.000 2.493 3041 E HA 0.308 4.663 4.350 0.008 0.000 0.255 3041 E C 0.900 177.574 176.600 0.125 0.000 0.999 3041 E CA 1.253 57.764 56.400 0.186 0.000 0.934 3041 E CB 0.451 30.247 29.700 0.160 0.000 0.940 3041 E HN 0.855 nan 8.360 nan 0.000 0.473 3042 G N 3.443 112.187 108.800 -0.094 0.000 2.195 3042 G HA2 -0.250 3.715 3.960 0.008 0.000 0.224 3042 G HA3 -0.250 3.715 3.960 0.008 0.000 0.224 3042 G C -0.142 174.244 174.900 -0.857 0.000 0.990 3042 G CA -0.234 44.568 45.100 -0.496 0.000 0.639 3042 G HN 0.348 nan 8.290 nan 0.000 0.514 3043 F N 0.152 120.071 119.950 -0.051 0.000 2.507 3043 F HA 0.755 5.288 4.527 0.009 0.000 0.328 3043 F C 1.094 176.872 175.800 -0.038 0.000 1.136 3043 F CA -0.355 57.611 58.000 -0.057 0.000 0.930 3043 F CB 1.646 40.594 39.000 -0.087 0.000 1.166 3043 F HN 0.087 nan 8.300 nan 0.000 0.436 3044 A N 1.490 124.361 122.820 0.084 0.000 1.929 3044 A HA -0.102 4.223 4.320 0.008 0.000 0.216 3044 A C 1.251 178.853 177.584 0.030 0.000 1.176 3044 A CA 0.835 52.894 52.037 0.036 0.000 0.628 3044 A CB -0.372 18.632 19.000 0.007 0.000 0.816 3044 A HN 0.650 nan 8.150 nan 0.000 0.444 3045 Q N 1.334 121.170 119.800 0.060 0.000 2.348 3045 Q HA 0.303 4.648 4.340 0.008 0.000 0.251 3045 Q C -2.630 173.381 176.000 0.018 0.000 1.113 3045 Q CA -2.426 53.392 55.803 0.024 0.000 0.902 3045 Q CB -0.052 28.719 28.738 0.055 0.000 1.333 3045 Q HN 0.233 nan 8.270 nan 0.000 0.457 3046 P HA -0.063 nan 4.420 nan 0.000 0.265 3046 P C -1.010 176.345 177.300 0.092 0.000 1.187 3046 P CA -0.085 62.986 63.100 -0.049 0.000 0.766 3046 P CB 0.613 32.126 31.700 -0.311 0.000 0.820 3047 V N 2.784 122.794 119.914 0.159 0.000 2.498 3047 V HA 0.391 4.516 4.120 0.008 0.000 0.279 3047 V C 0.673 176.955 176.094 0.312 0.000 1.048 3047 V CA -0.479 61.948 62.300 0.212 0.000 0.967 3047 V CB 0.706 32.623 31.823 0.157 0.000 0.988 3047 V HN 0.667 nan 8.190 nan 0.000 0.473 3048 A N 7.034 130.043 122.820 0.316 0.000 2.328 3048 A HA 0.733 5.058 4.320 0.008 0.000 0.284 3048 A C -0.380 177.147 177.584 -0.094 0.000 1.160 3048 A CA -0.282 51.806 52.037 0.086 0.000 0.818 3048 A CB 0.047 19.162 19.000 0.191 0.000 1.087 3048 A HN 0.764 nan 8.150 nan 0.000 0.504 3049 I N 1.733 122.029 120.570 -0.457 0.000 2.509 3049 I HA 0.459 4.634 4.170 0.008 0.000 0.293 3049 I C -1.377 174.228 176.117 -0.853 0.000 1.020 3049 I CA -0.333 60.677 61.300 -0.483 0.000 1.088 3049 I CB 1.924 39.739 38.000 -0.309 0.000 1.267 3049 I HN 0.559 nan 8.210 nan 0.000 0.430 3050 F N 6.158 125.986 119.950 -0.203 0.000 2.553 3050 F HA 0.488 5.020 4.527 0.008 0.000 0.335 3050 F C -0.477 175.191 175.800 -0.220 0.000 1.148 3050 F CA -0.495 57.431 58.000 -0.125 0.000 0.963 3050 F CB 1.267 40.302 39.000 0.058 0.000 1.217 3050 F HN 0.088 nan 8.300 nan 0.000 0.441 3051 L N 3.147 124.290 121.223 -0.132 0.000 2.287 3051 L HA 0.681 5.026 4.340 0.008 0.000 0.287 3051 L C 0.749 177.552 176.870 -0.111 0.000 1.022 3051 L CA -0.679 54.048 54.840 -0.188 0.000 0.814 3051 L CB 1.468 43.254 42.059 -0.455 0.000 1.217 3051 L HN 0.936 nan 8.230 nan 0.000 0.420 3052 G N 3.581 112.363 108.800 -0.030 0.000 2.165 3052 G HA2 -0.213 3.752 3.960 0.008 0.000 0.226 3052 G HA3 -0.213 3.752 3.960 0.008 0.000 0.226 3052 G C -0.063 174.905 174.900 0.113 0.000 1.035 3052 G CA -0.612 44.467 45.100 -0.034 0.000 0.744 3052 G HN 0.498 nan 8.290 nan 0.000 0.501 3053 I N 2.462 123.094 120.570 0.103 0.000 2.496 3053 I HA 0.212 4.387 4.170 0.008 0.000 0.285 3053 I C -1.297 174.876 176.117 0.093 0.000 1.080 3053 I CA -1.853 59.491 61.300 0.073 0.000 1.404 3053 I CB 1.063 39.018 38.000 -0.075 0.000 1.403 3053 I HN 0.011 nan 8.210 nan 0.000 0.539 3054 P HA 0.090 nan 4.420 nan 0.000 0.279 3054 P C -0.487 176.710 177.300 -0.172 0.000 1.239 3054 P CA -0.073 62.861 63.100 -0.276 0.000 0.789 3054 P CB 0.707 32.241 31.700 -0.276 0.000 0.933 3055 F N 0.442 120.171 119.950 -0.368 0.000 2.775 3055 F HA 0.796 5.331 4.527 0.014 0.000 0.313 3055 F C -0.313 175.478 175.800 -0.015 0.000 1.121 3055 F CA -0.879 56.962 58.000 -0.266 0.000 1.206 3055 F CB 0.232 38.978 39.000 -0.424 0.000 1.052 3055 F HN 0.458 nan 8.300 nan 0.000 0.524 3056 A N 0.652 123.235 122.820 -0.394 0.000 2.581 3056 A HA 0.392 4.717 4.320 0.008 0.000 0.294 3056 A C -1.300 176.090 177.584 -0.323 0.000 1.035 3056 A CA -1.155 50.697 52.037 -0.309 0.000 0.684 3056 A CB 0.612 19.358 19.000 -0.422 0.000 1.282 3056 A HN 0.290 nan 8.150 nan 0.000 0.417 3057 K N 0.934 121.216 120.400 -0.196 0.000 2.436 3057 K HA 0.339 4.664 4.320 0.008 0.000 0.275 3057 K C -2.343 174.133 176.600 -0.206 0.000 0.999 3057 K CA -1.023 55.164 56.287 -0.167 0.000 0.980 3057 K CB 0.238 32.675 32.500 -0.105 0.000 0.919 3057 K HN 0.346 nan 8.250 nan 0.000 0.484 3058 P HA 0.017 nan 4.420 nan 0.000 0.266 3058 P C -2.370 174.848 177.300 -0.137 0.000 1.215 3058 P CA -0.972 62.028 63.100 -0.166 0.000 0.763 3058 P CB 0.348 31.986 31.700 -0.103 0.000 0.806 3059 P HA 0.022 nan 4.420 nan 0.000 0.237 3059 P C -0.582 176.641 177.300 -0.128 0.000 1.701 3059 P CA 0.558 63.572 63.100 -0.142 0.000 0.955 3059 P CB -0.040 31.574 31.700 -0.144 0.000 1.937 3060 L N -0.402 120.758 121.223 -0.105 0.000 2.358 3060 L HA 0.534 4.879 4.340 0.008 0.000 0.268 3060 L C 1.838 178.656 176.870 -0.086 0.000 1.032 3060 L CA -0.334 54.455 54.840 -0.085 0.000 0.805 3060 L CB 0.418 42.439 42.059 -0.062 0.000 1.253 3060 L HN 0.263 nan 8.230 nan 0.000 0.452 3061 G N 1.502 110.258 108.800 -0.072 0.000 2.692 3061 G HA2 -0.319 3.646 3.960 0.008 0.000 0.339 3061 G HA3 -0.319 3.646 3.960 0.008 0.000 0.339 3061 G C -1.050 173.805 174.900 -0.075 0.000 1.226 3061 G CA 0.588 45.650 45.100 -0.063 0.000 0.979 3061 G HN 0.637 nan 8.290 nan 0.000 0.549 3062 P HA 0.059 nan 4.420 nan 0.000 0.223 3062 P C 2.086 179.340 177.300 -0.078 0.000 1.151 3062 P CA 1.455 64.529 63.100 -0.043 0.000 0.787 3062 P CB -0.130 31.558 31.700 -0.021 0.000 0.788 3063 L N -0.982 120.178 121.223 -0.105 0.000 2.478 3063 L HA 0.068 4.413 4.340 0.008 0.000 0.223 3063 L C 1.875 178.606 176.870 -0.232 0.000 1.140 3063 L CA -0.041 54.713 54.840 -0.143 0.000 0.842 3063 L CB -0.588 41.398 42.059 -0.122 0.000 0.953 3063 L HN -0.041 nan 8.230 nan 0.000 0.452 3064 R N 0.966 121.306 120.500 -0.266 0.000 2.570 3064 R HA -0.074 4.271 4.340 0.008 0.000 0.277 3064 R C -0.434 175.532 176.300 -0.556 0.000 1.039 3064 R CA -0.113 55.700 56.100 -0.479 0.000 1.065 3064 R CB 0.175 30.138 30.300 -0.562 0.000 0.964 3064 R HN 0.052 nan 8.270 nan 0.000 0.428 3065 F N 0.485 120.098 119.950 -0.562 0.000 2.985 3065 F HA -0.248 4.280 4.527 0.002 0.000 0.303 3065 F C -0.050 174.897 175.800 -1.422 0.000 0.976 3065 F CA 1.457 58.809 58.000 -1.080 0.000 1.013 3065 F CB -2.358 36.391 39.000 -0.419 0.000 1.060 3065 F HN 0.739 nan 8.300 nan 0.000 0.780 3066 T N -2.492 111.298 114.554 -1.274 0.000 2.802 3066 T HA 0.756 5.111 4.350 0.008 0.000 0.311 3066 T C -3.176 171.275 174.700 -0.415 0.000 1.405 3066 T CA -1.852 59.755 62.100 -0.821 0.000 1.016 3066 T CB 3.602 72.266 68.868 -0.339 0.000 1.352 3066 T HN -0.103 nan 8.240 nan 0.000 0.498 3067 P HA 0.326 nan 4.420 nan 0.000 0.272 3067 P C -2.506 174.821 177.300 0.046 0.000 1.223 3067 P CA -1.211 61.985 63.100 0.160 0.000 0.784 3067 P CB -0.542 31.281 31.700 0.205 0.000 0.923 3068 P HA 0.082 nan 4.420 nan 0.000 0.269 3068 P C -0.490 176.822 177.300 0.020 0.000 1.215 3068 P CA 0.344 63.454 63.100 0.016 0.000 0.780 3068 P CB 0.810 32.539 31.700 0.049 0.000 0.898 3069 Q N 1.969 121.759 119.800 -0.018 0.000 2.348 3069 Q HA 0.424 4.769 4.340 0.008 0.000 0.271 3069 Q C -2.119 173.883 176.000 0.004 0.000 1.067 3069 Q CA -2.232 53.572 55.803 0.001 0.000 0.839 3069 Q CB 1.748 30.474 28.738 -0.020 0.000 1.354 3069 Q HN 0.417 nan 8.270 nan 0.000 0.447 3070 P HA -0.060 nan 4.420 nan 0.000 0.269 3070 P C -1.103 176.185 177.300 -0.021 0.000 1.211 3070 P CA 0.192 63.337 63.100 0.074 0.000 0.781 3070 P CB 0.502 32.264 31.700 0.104 0.000 0.877 3071 A N 1.613 124.398 122.820 -0.059 0.000 2.322 3071 A HA 0.271 4.596 4.320 0.008 0.000 0.269 3071 A C 0.352 177.739 177.584 -0.328 0.000 1.094 3071 A CA -0.259 51.676 52.037 -0.170 0.000 0.807 3071 A CB -0.161 18.786 19.000 -0.088 0.000 1.047 3071 A HN 0.499 nan 8.150 nan 0.000 0.487 3072 E N 1.471 121.571 120.200 -0.167 0.000 2.366 3072 E HA 0.396 4.751 4.350 0.008 0.000 0.266 3072 E C -2.145 174.382 176.600 -0.122 0.000 1.051 3072 E CA -1.429 54.895 56.400 -0.126 0.000 0.884 3072 E CB 0.542 30.226 29.700 -0.027 0.000 1.006 3072 E HN 0.466 nan 8.360 nan 0.000 0.417 3073 P HA 0.174 nan 4.420 nan 0.000 0.278 3073 P C -1.150 176.147 177.300 -0.005 0.000 1.238 3073 P CA -0.475 62.518 63.100 -0.179 0.000 0.794 3073 P CB 0.333 31.942 31.700 -0.152 0.000 0.955 3074 W N 0.868 122.191 121.300 0.037 0.000 2.639 3074 W HA 0.598 5.261 4.660 0.004 0.000 0.347 3074 W C 0.385 176.886 176.519 -0.030 0.000 1.067 3074 W CA -0.779 56.581 57.345 0.026 0.000 1.218 3074 W CB -0.134 29.370 29.460 0.073 0.000 1.393 3074 W HN 0.135 nan 8.180 nan 0.000 0.557 3075 S N 0.790 116.553 115.700 0.106 0.000 2.501 3075 S HA 0.135 4.610 4.470 0.008 0.000 0.220 3075 S C 0.270 174.567 174.600 -0.504 0.000 0.997 3075 S CA 0.415 58.440 58.200 -0.292 0.000 0.919 3075 S CB -0.296 62.573 63.200 -0.551 0.000 0.778 3075 S HN 0.457 nan 8.310 nan 0.000 0.523 3076 F N -0.083 120.041 119.950 0.290 0.000 3.142 3076 F HA 0.458 4.989 4.527 0.007 0.000 0.166 3076 F C -0.227 175.746 175.800 0.290 0.000 1.598 3076 F CA -1.011 57.120 58.000 0.217 0.000 0.920 3076 F CB 0.073 39.153 39.000 0.134 0.000 1.949 3076 F HN -0.352 nan 8.300 nan 0.000 0.306 3077 V N 1.288 121.463 119.914 0.434 0.000 2.311 3077 V HA 0.266 4.391 4.120 0.008 0.000 0.275 3077 V C -0.345 175.838 176.094 0.149 0.000 1.022 3077 V CA -1.082 61.390 62.300 0.287 0.000 0.830 3077 V CB 0.699 32.639 31.823 0.195 0.000 1.012 3077 V HN 0.389 nan 8.190 nan 0.000 0.452 3078 K N 3.987 124.407 120.400 0.033 0.000 2.307 3078 K HA 0.055 4.379 4.320 0.008 0.000 0.285 3078 K C 0.552 177.090 176.600 -0.103 0.000 1.073 3078 K CA -0.134 55.996 56.287 -0.262 0.000 0.996 3078 K CB -0.065 31.902 32.500 -0.887 0.000 0.994 3078 K HN 0.684 nan 8.250 nan 0.000 0.452 3079 N N 3.458 122.112 118.700 -0.077 0.000 2.394 3079 N HA -0.060 4.685 4.740 0.008 0.000 0.288 3079 N C -0.733 174.731 175.510 -0.077 0.000 1.272 3079 N CA 0.102 53.119 53.050 -0.055 0.000 1.004 3079 N CB 0.431 38.882 38.487 -0.060 0.000 1.393 3079 N HN 0.516 nan 8.380 nan 0.000 0.488 3080 A N 3.067 125.869 122.820 -0.031 0.000 3.168 3080 A HA 0.216 4.541 4.320 0.008 0.000 0.260 3080 A C 0.862 178.384 177.584 -0.103 0.000 1.598 3080 A CA -0.342 51.677 52.037 -0.031 0.000 1.285 3080 A CB -0.636 18.436 19.000 0.120 0.000 1.149 3080 A HN 0.666 nan 8.150 nan 0.000 0.630 3081 T N -3.374 111.088 114.554 -0.153 0.000 3.111 3081 T HA 0.279 4.634 4.350 0.008 0.000 0.284 3081 T C 0.365 174.910 174.700 -0.259 0.000 0.983 3081 T CA 0.013 61.983 62.100 -0.215 0.000 0.900 3081 T CB 0.157 68.920 68.868 -0.174 0.000 1.132 3081 T HN 0.213 nan 8.240 nan 0.000 0.531 3082 S N 1.170 116.732 115.700 -0.230 0.000 2.501 3082 S HA 0.628 5.103 4.470 0.008 0.000 0.301 3082 S C -1.098 173.370 174.600 -0.220 0.000 1.096 3082 S CA -0.698 57.379 58.200 -0.206 0.000 1.063 3082 S CB 0.705 63.826 63.200 -0.133 0.000 1.042 3082 S HN 0.306 nan 8.310 nan 0.000 0.494 3083 Y N 3.818 124.058 120.300 -0.101 0.000 2.511 3083 Y HA 0.218 4.772 4.550 0.007 0.000 0.332 3083 Y C -1.331 174.472 175.900 -0.160 0.000 1.177 3083 Y CA -1.364 56.674 58.100 -0.103 0.000 1.422 3083 Y CB 0.006 38.424 38.460 -0.070 0.000 1.271 3083 Y HN 0.439 nan 8.280 nan 0.000 0.550 3084 P HA 0.143 nan 4.420 nan 0.000 0.273 3084 P C -2.620 174.607 177.300 -0.121 0.000 1.250 3084 P CA -1.247 61.712 63.100 -0.235 0.000 0.793 3084 P CB 0.651 32.178 31.700 -0.289 0.000 1.011 3085 P HA 0.303 nan 4.420 nan 0.000 0.293 3085 P C -0.445 176.814 177.300 -0.069 0.000 1.304 3085 P CA -0.370 62.669 63.100 -0.101 0.000 0.767 3085 P CB 0.583 32.218 31.700 -0.108 0.000 1.247 3086 M N -1.404 118.143 119.600 -0.087 0.000 2.528 3086 M HA 0.493 4.977 4.480 0.008 0.000 0.321 3086 M C -0.605 175.617 176.300 -0.130 0.000 1.153 3086 M CA -0.855 54.391 55.300 -0.090 0.000 0.951 3086 M CB 1.030 33.560 32.600 -0.116 0.000 1.705 3086 M HN 0.064 nan 8.290 nan 0.000 0.451 3087 c N 1.695 120.214 118.600 -0.134 0.000 2.634 3087 c HA 0.123 4.698 4.570 0.008 0.000 0.417 3087 c C 0.936 174.835 174.090 -0.318 0.000 1.334 3087 c CA -0.254 55.942 56.329 -0.223 0.000 1.829 3087 c CB -0.674 41.730 42.510 -0.177 0.000 2.665 3087 c HN 0.873 nan 8.230 nan 0.000 0.614 3088 T N 4.423 118.639 114.554 -0.565 0.000 2.765 3088 T HA 0.209 4.564 4.350 0.008 0.000 0.275 3088 T C 0.058 174.485 174.700 -0.454 0.000 1.007 3088 T CA 0.541 62.231 62.100 -0.684 0.000 1.175 3088 T CB -0.369 67.635 68.868 -1.439 0.000 0.993 3088 T HN 0.897 nan 8.240 nan 0.000 0.510 3089 Q N 1.267 120.945 119.800 -0.203 0.000 2.707 3089 Q HA 0.404 4.749 4.340 0.008 0.000 0.307 3089 Q C -1.490 174.512 176.000 0.004 0.000 0.934 3089 Q CA -1.219 54.562 55.803 -0.037 0.000 0.753 3089 Q CB 1.142 29.857 28.738 -0.038 0.000 1.478 3089 Q HN 0.381 nan 8.270 nan 0.000 0.458 3090 D N 1.832 122.264 120.400 0.052 0.000 2.382 3090 D HA 0.061 4.706 4.640 0.008 0.000 0.259 3090 D C -1.323 174.980 176.300 0.005 0.000 1.224 3090 D CA -1.427 52.603 54.000 0.050 0.000 0.894 3090 D CB 1.241 42.083 40.800 0.070 0.000 1.127 3090 D HN 0.325 nan 8.370 nan 0.000 0.487 3091 P HA -0.130 nan 4.420 nan 0.000 0.220 3091 P C 0.878 178.160 177.300 -0.028 0.000 1.148 3091 P CA 0.967 64.049 63.100 -0.030 0.000 0.803 3091 P CB 0.592 32.274 31.700 -0.030 0.000 0.782 3092 K N 0.326 120.717 120.400 -0.015 0.000 1.991 3092 K HA 0.023 4.348 4.320 0.008 0.000 0.207 3092 K C 2.469 179.054 176.600 -0.025 0.000 1.045 3092 K CA 1.383 57.660 56.287 -0.018 0.000 0.937 3092 K CB -0.720 31.776 32.500 -0.007 0.000 0.720 3092 K HN -0.014 nan 8.250 nan 0.000 0.438 3093 A N 1.461 124.272 122.820 -0.016 0.000 1.972 3093 A HA -0.067 4.258 4.320 0.008 0.000 0.219 3093 A C 2.381 179.941 177.584 -0.041 0.000 1.169 3093 A CA 1.820 53.842 52.037 -0.024 0.000 0.635 3093 A CB -1.184 17.815 19.000 -0.000 0.000 0.810 3093 A HN 0.440 nan 8.150 nan 0.000 0.446 3094 G N -0.556 108.222 108.800 -0.038 0.000 2.459 3094 G HA2 -0.317 3.648 3.960 0.008 0.000 0.217 3094 G HA3 -0.317 3.648 3.960 0.008 0.000 0.217 3094 G C 1.629 176.481 174.900 -0.080 0.000 1.183 3094 G CA 1.184 46.249 45.100 -0.058 0.000 0.776 3094 G HN 0.638 nan 8.290 nan 0.000 0.552 3095 Q N -0.475 119.281 119.800 -0.073 0.000 2.124 3095 Q HA -0.036 4.309 4.340 0.008 0.000 0.202 3095 Q C 2.413 178.363 176.000 -0.084 0.000 0.977 3095 Q CA 1.238 56.992 55.803 -0.081 0.000 0.850 3095 Q CB -0.279 28.420 28.738 -0.065 0.000 0.901 3095 Q HN 0.383 nan 8.270 nan 0.000 0.429 3096 L N 0.198 121.376 121.223 -0.075 0.000 2.131 3096 L HA -0.129 4.216 4.340 0.008 0.000 0.210 3096 L C 1.995 178.788 176.870 -0.128 0.000 1.092 3096 L CA 1.218 56.011 54.840 -0.078 0.000 0.759 3096 L CB -0.357 41.662 42.059 -0.066 0.000 0.903 3096 L HN 0.393 nan 8.230 nan 0.000 0.435 3097 L N -1.791 119.337 121.223 -0.158 0.000 2.131 3097 L HA -0.042 4.303 4.340 0.008 0.000 0.206 3097 L C 2.585 179.305 176.870 -0.251 0.000 1.087 3097 L CA 1.762 56.440 54.840 -0.270 0.000 0.767 3097 L CB -0.650 41.292 42.059 -0.196 0.000 0.917 3097 L HN 0.341 nan 8.230 nan 0.000 0.441 3098 S N -0.573 115.029 115.700 -0.163 0.000 2.353 3098 S HA -0.230 4.245 4.470 0.008 0.000 0.222 3098 S C 1.881 176.389 174.600 -0.153 0.000 1.035 3098 S CA 1.723 59.822 58.200 -0.169 0.000 1.025 3098 S CB -0.212 62.890 63.200 -0.163 0.000 0.902 3098 S HN 0.581 nan 8.310 nan 0.000 0.440 3099 E N 0.553 120.685 120.200 -0.114 0.000 2.033 3099 E HA -0.164 4.191 4.350 0.008 0.000 0.199 3099 E C 2.160 178.756 176.600 -0.006 0.000 1.011 3099 E CA 1.625 57.988 56.400 -0.061 0.000 0.815 3099 E CB -0.382 29.295 29.700 -0.038 0.000 0.755 3099 E HN 0.465 nan 8.360 nan 0.000 0.451 3100 L N -0.180 121.022 121.223 -0.036 0.000 2.189 3100 L HA -0.199 4.146 4.340 0.008 0.000 0.214 3100 L C 1.961 178.985 176.870 0.258 0.000 1.097 3100 L CA 0.817 55.684 54.840 0.045 0.000 0.764 3100 L CB -0.162 41.808 42.059 -0.147 0.000 0.900 3100 L HN 0.151 nan 8.230 nan 0.000 0.436 3101 F N -1.571 118.349 119.950 -0.049 0.000 2.694 3101 F HA 0.142 4.674 4.527 0.008 0.000 0.292 3101 F C 1.649 177.157 175.800 -0.487 0.000 1.121 3101 F CA -0.547 57.308 58.000 -0.241 0.000 1.352 3101 F CB -0.713 38.159 39.000 -0.213 0.000 1.107 3101 F HN -0.185 nan 8.300 nan 0.000 0.597 3102 T N 2.062 116.480 114.554 -0.227 0.000 2.903 3102 T HA -0.017 4.338 4.350 0.008 0.000 0.314 3102 T C 1.136 175.691 174.700 -0.242 0.000 1.078 3102 T CA 0.011 61.893 62.100 -0.364 0.000 1.114 3102 T CB 0.329 69.033 68.868 -0.274 0.000 0.987 3102 T HN 0.348 nan 8.240 nan 0.000 0.548 3103 N N 3.127 121.649 118.700 -0.298 0.000 2.204 3103 N HA 0.091 4.836 4.740 0.008 0.000 0.219 3103 N C 0.153 175.564 175.510 -0.165 0.000 1.151 3103 N CA -0.327 52.597 53.050 -0.209 0.000 0.867 3103 N CB 0.173 38.540 38.487 -0.200 0.000 1.043 3103 N HN 0.480 nan 8.380 nan 0.000 0.516 3104 R N 0.463 120.874 120.500 -0.149 0.000 2.528 3104 R HA 0.242 4.587 4.340 0.008 0.000 0.271 3104 R C 1.055 177.313 176.300 -0.070 0.000 1.056 3104 R CA -0.669 55.376 56.100 -0.091 0.000 1.117 3104 R CB 1.384 31.630 30.300 -0.090 0.000 1.085 3104 R HN -0.059 nan 8.270 nan 0.000 0.530 3105 K N 1.107 121.488 120.400 -0.032 0.000 2.504 3105 K HA -0.046 4.279 4.320 0.008 0.000 0.195 3105 K C -0.509 176.084 176.600 -0.011 0.000 1.036 3105 K CA 1.111 57.391 56.287 -0.012 0.000 0.984 3105 K CB 0.303 32.811 32.500 0.012 0.000 0.788 3105 K HN 0.508 nan 8.250 nan 0.000 0.488 3106 E N 0.108 120.293 120.200 -0.026 0.000 2.347 3106 E HA 0.131 4.486 4.350 0.008 0.000 0.285 3106 E C -1.466 175.100 176.600 -0.058 0.000 0.925 3106 E CA -0.352 56.030 56.400 -0.029 0.000 0.779 3106 E CB 1.349 31.039 29.700 -0.016 0.000 1.233 3106 E HN 0.149 nan 8.360 nan 0.000 0.414 3107 N N 2.951 121.611 118.700 -0.066 0.000 2.381 3107 N HA 0.120 4.865 4.740 0.008 0.000 0.241 3107 N C -0.503 174.936 175.510 -0.118 0.000 1.279 3107 N CA 0.109 53.096 53.050 -0.104 0.000 0.896 3107 N CB 0.566 38.997 38.487 -0.093 0.000 1.118 3107 N HN 0.368 nan 8.380 nan 0.000 0.438 3108 I N 3.267 123.731 120.570 -0.177 0.000 2.328 3108 I HA 0.255 4.430 4.170 0.008 0.000 0.287 3108 I C -2.150 173.859 176.117 -0.179 0.000 1.012 3108 I CA -1.978 59.198 61.300 -0.207 0.000 1.195 3108 I CB 1.499 39.256 38.000 -0.404 0.000 1.350 3108 I HN 0.365 nan 8.210 nan 0.000 0.464 3109 P HA 0.212 nan 4.420 nan 0.000 0.265 3109 P C -0.683 176.555 177.300 -0.104 0.000 1.222 3109 P CA 0.155 63.197 63.100 -0.097 0.000 0.767 3109 P CB 0.457 32.118 31.700 -0.065 0.000 0.801 3110 L N 3.025 124.182 121.223 -0.111 0.000 2.358 3110 L HA 0.536 4.881 4.340 0.008 0.000 0.268 3110 L C 0.667 177.486 176.870 -0.085 0.000 1.032 3110 L CA -1.036 53.742 54.840 -0.104 0.000 0.805 3110 L CB 1.076 43.061 42.059 -0.123 0.000 1.253 3110 L HN 0.116 nan 8.230 nan 0.000 0.452 3111 K N 0.777 121.129 120.400 -0.081 0.000 2.156 3111 K HA 0.602 4.927 4.320 0.008 0.000 0.254 3111 K C -0.903 175.641 176.600 -0.093 0.000 0.950 3111 K CA -0.347 55.894 56.287 -0.078 0.000 0.849 3111 K CB 1.422 33.879 32.500 -0.072 0.000 1.100 3111 K HN 0.340 nan 8.250 nan 0.000 0.434 3112 L N 0.946 122.111 121.223 -0.097 0.000 2.421 3112 L HA 0.561 4.906 4.340 0.008 0.000 0.263 3112 L C -0.183 176.605 176.870 -0.136 0.000 1.122 3112 L CA -0.181 54.583 54.840 -0.127 0.000 0.804 3112 L CB 1.551 43.534 42.059 -0.126 0.000 1.150 3112 L HN 0.670 nan 8.230 nan 0.000 0.457 3113 S N -0.081 115.507 115.700 -0.186 0.000 2.714 3113 S HA 0.079 4.554 4.470 0.008 0.000 0.297 3113 S C -0.069 174.386 174.600 -0.240 0.000 0.993 3113 S CA -0.654 57.440 58.200 -0.177 0.000 0.844 3113 S CB 0.855 63.990 63.200 -0.107 0.000 1.043 3113 S HN 0.754 nan 8.310 nan 0.000 0.457 3114 E N 1.412 121.459 120.200 -0.254 0.000 2.208 3114 E HA -0.055 4.300 4.350 0.008 0.000 0.193 3114 E C -0.026 176.480 176.600 -0.156 0.000 0.988 3114 E CA 0.677 56.899 56.400 -0.296 0.000 0.828 3114 E CB 0.051 29.620 29.700 -0.218 0.000 0.763 3114 E HN 0.581 nan 8.360 nan 0.000 0.478 3115 D N 0.303 120.652 120.400 -0.084 0.000 2.545 3115 D HA -0.023 4.622 4.640 0.008 0.000 0.227 3115 D C 0.155 176.536 176.300 0.136 0.000 1.150 3115 D CA -0.142 53.863 54.000 0.009 0.000 1.046 3115 D CB -0.167 40.658 40.800 0.041 0.000 1.098 3115 D HN 0.187 nan 8.370 nan 0.000 0.502 3116 c N 1.800 120.443 118.600 0.072 0.000 3.525 3116 c HA 0.379 4.954 4.570 0.008 0.000 0.289 3116 c C 0.819 175.007 174.090 0.162 0.000 1.496 3116 c CA -0.735 55.697 56.329 0.171 0.000 1.804 3116 c CB -1.310 41.211 42.510 0.018 0.000 2.708 3116 c HN 0.403 nan 8.230 nan 0.000 0.642 3117 L N 2.482 123.589 121.223 -0.193 0.000 2.376 3117 L HA 0.339 4.684 4.340 0.008 0.000 0.250 3117 L C -0.768 175.669 176.870 -0.722 0.000 1.335 3117 L CA 0.532 55.069 54.840 -0.506 0.000 1.214 3117 L CB -0.852 40.683 42.059 -0.873 0.000 1.395 3117 L HN 0.401 nan 8.230 nan 0.000 0.424 3118 Y N 1.331 121.692 120.300 0.102 0.000 2.633 3118 Y HA 0.694 5.249 4.550 0.009 0.000 0.339 3118 Y C -0.079 176.001 175.900 0.300 0.000 1.045 3118 Y CA -1.324 56.880 58.100 0.174 0.000 1.098 3118 Y CB 1.819 40.300 38.460 0.035 0.000 1.296 3118 Y HN 0.123 nan 8.280 nan 0.000 0.494 3119 L N -0.315 121.064 121.223 0.259 0.000 2.376 3119 L HA 0.744 5.088 4.340 0.008 0.000 0.258 3119 L C -1.364 175.528 176.870 0.038 0.000 1.013 3119 L CA -1.177 53.708 54.840 0.074 0.000 0.822 3119 L CB 1.741 43.684 42.059 -0.194 0.000 1.388 3119 L HN 0.405 nan 8.230 nan 0.000 0.413 3120 N N 1.683 120.434 118.700 0.085 0.000 2.362 3120 N HA 0.670 5.415 4.740 0.008 0.000 0.298 3120 N C -1.116 174.396 175.510 0.003 0.000 1.048 3120 N CA -0.217 52.857 53.050 0.040 0.000 0.858 3120 N CB 2.472 41.042 38.487 0.138 0.000 1.218 3120 N HN 0.660 nan 8.380 nan 0.000 0.488 3121 I N 1.803 122.298 120.570 -0.125 0.000 2.493 3121 I HA 0.342 4.517 4.170 0.008 0.000 0.298 3121 I C -0.959 175.055 176.117 -0.172 0.000 0.998 3121 I CA -0.760 60.508 61.300 -0.053 0.000 1.137 3121 I CB 1.080 38.988 38.000 -0.154 0.000 1.310 3121 I HN 0.354 nan 8.210 nan 0.000 0.445 3122 Y N 2.917 123.347 120.300 0.216 0.000 2.445 3122 Y HA 0.306 4.861 4.550 0.008 0.000 0.332 3122 Y C 0.124 176.159 175.900 0.225 0.000 1.037 3122 Y CA -0.639 57.588 58.100 0.211 0.000 1.296 3122 Y CB 1.958 40.519 38.460 0.168 0.000 1.099 3122 Y HN 0.379 nan 8.280 nan 0.000 0.496 3123 T N 4.756 119.544 114.554 0.388 0.000 2.792 3123 T HA 0.368 4.723 4.350 0.008 0.000 0.280 3123 T C -2.234 172.639 174.700 0.289 0.000 0.990 3123 T CA -2.329 59.977 62.100 0.343 0.000 0.960 3123 T CB 1.352 70.469 68.868 0.414 0.000 0.939 3123 T HN 0.330 nan 8.240 nan 0.000 0.439 3124 P HA 0.302 nan 4.420 nan 0.000 0.261 3124 P C 0.288 177.680 177.300 0.153 0.000 1.268 3124 P CA -0.182 63.011 63.100 0.155 0.000 0.833 3124 P CB 0.085 31.833 31.700 0.079 0.000 1.231 3125 A N 0.797 123.724 122.820 0.178 0.000 2.346 3125 A HA 0.187 4.512 4.320 0.008 0.000 0.252 3125 A C 0.070 177.752 177.584 0.163 0.000 1.089 3125 A CA -0.066 52.063 52.037 0.153 0.000 0.797 3125 A CB -0.289 18.803 19.000 0.154 0.000 1.047 3125 A HN -0.041 nan 8.150 nan 0.000 0.494 3126 D N 1.308 121.782 120.400 0.124 0.000 2.468 3126 D HA 0.293 4.938 4.640 0.008 0.000 0.218 3126 D C 0.858 177.229 176.300 0.120 0.000 1.155 3126 D CA -0.110 53.961 54.000 0.118 0.000 0.924 3126 D CB -0.185 40.661 40.800 0.077 0.000 1.029 3126 D HN 0.395 nan 8.370 nan 0.000 0.515 3127 L N 2.506 123.825 121.223 0.158 0.000 2.661 3127 L HA -0.123 4.222 4.340 0.008 0.000 0.236 3127 L C 2.052 178.971 176.870 0.083 0.000 1.176 3127 L CA 1.237 56.150 54.840 0.121 0.000 0.836 3127 L CB -0.781 41.368 42.059 0.151 0.000 0.960 3127 L HN 0.462 nan 8.230 nan 0.000 0.455 3128 T N -4.664 109.941 114.554 0.085 0.000 3.060 3128 T HA 0.132 4.487 4.350 0.008 0.000 0.249 3128 T C 0.736 175.462 174.700 0.043 0.000 1.079 3128 T CA -0.094 62.043 62.100 0.061 0.000 1.013 3128 T CB 0.257 69.162 68.868 0.063 0.000 0.975 3128 T HN 0.192 nan 8.240 nan 0.000 0.518 3129 K N 0.578 121.006 120.400 0.046 0.000 2.400 3129 K HA 0.511 4.836 4.320 0.008 0.000 0.246 3129 K C -0.877 175.743 176.600 0.034 0.000 0.995 3129 K CA -0.976 55.332 56.287 0.035 0.000 0.840 3129 K CB 2.059 34.581 32.500 0.037 0.000 1.293 3129 K HN -0.067 nan 8.250 nan 0.000 0.445 3130 K N 1.963 122.378 120.400 0.025 0.000 2.312 3130 K HA 0.190 4.515 4.320 0.008 0.000 0.287 3130 K C -0.732 175.886 176.600 0.031 0.000 1.062 3130 K CA -0.118 56.182 56.287 0.022 0.000 0.934 3130 K CB 0.426 32.933 32.500 0.012 0.000 1.027 3130 K HN 0.416 nan 8.250 nan 0.000 0.478 3131 N N 1.487 120.212 118.700 0.042 0.000 2.380 3131 N HA 0.436 5.181 4.740 0.008 0.000 0.290 3131 N C -0.922 174.619 175.510 0.051 0.000 1.236 3131 N CA -0.824 52.257 53.050 0.051 0.000 0.780 3131 N CB 1.346 39.876 38.487 0.072 0.000 1.438 3131 N HN 0.234 nan 8.380 nan 0.000 0.491 3132 R N 1.151 121.680 120.500 0.049 0.000 2.627 3132 R HA 0.310 4.655 4.340 0.008 0.000 0.251 3132 R C -0.928 175.402 176.300 0.050 0.000 1.524 3132 R CA -0.319 55.808 56.100 0.045 0.000 1.606 3132 R CB -0.264 30.050 30.300 0.024 0.000 1.396 3132 R HN 0.550 nan 8.270 nan 0.000 0.724 3133 L N 2.364 123.630 121.223 0.071 0.000 2.464 3133 L HA 0.326 4.671 4.340 0.008 0.000 0.264 3133 L C -1.573 175.341 176.870 0.074 0.000 1.199 3133 L CA -1.569 53.314 54.840 0.072 0.000 0.818 3133 L CB 0.186 42.300 42.059 0.093 0.000 1.102 3133 L HN -0.044 nan 8.230 nan 0.000 0.473 3134 P HA 0.104 nan 4.420 nan 0.000 0.271 3134 P C -0.945 176.412 177.300 0.095 0.000 1.216 3134 P CA -0.149 62.989 63.100 0.064 0.000 0.776 3134 P CB 1.196 32.920 31.700 0.040 0.000 0.881 3135 V N 4.406 124.389 119.914 0.116 0.000 2.513 3135 V HA 0.408 4.533 4.120 0.008 0.000 0.299 3135 V C 0.521 176.712 176.094 0.162 0.000 1.035 3135 V CA -0.494 61.896 62.300 0.149 0.000 0.889 3135 V CB 1.482 33.403 31.823 0.163 0.000 0.988 3135 V HN 0.489 nan 8.190 nan 0.000 0.440 3136 M N 4.554 124.276 119.600 0.203 0.000 2.043 3136 M HA 0.453 4.938 4.480 0.008 0.000 0.322 3136 M C -1.085 175.517 176.300 0.504 0.000 0.962 3136 M CA -0.588 54.875 55.300 0.272 0.000 0.927 3136 M CB 1.794 34.461 32.600 0.112 0.000 1.466 3136 M HN 0.413 nan 8.290 nan 0.000 0.412 3137 V N 3.266 123.462 119.914 0.471 0.000 2.348 3137 V HA 0.258 4.383 4.120 0.008 0.000 0.270 3137 V C -0.440 175.864 176.094 0.350 0.000 1.037 3137 V CA -0.637 61.878 62.300 0.358 0.000 0.872 3137 V CB 0.646 32.572 31.823 0.172 0.000 1.002 3137 V HN 0.838 nan 8.190 nan 0.000 0.464 3138 W N 6.857 128.183 121.300 0.044 0.000 2.351 3138 W HA 0.641 5.306 4.660 0.009 0.000 0.311 3138 W C -1.232 175.146 176.519 -0.235 0.000 1.168 3138 W CA -0.868 56.263 57.345 -0.358 0.000 1.200 3138 W CB 1.258 30.526 29.460 -0.321 0.000 1.221 3138 W HN 0.440 nan 8.180 nan 0.000 0.519 3139 I N 7.678 127.534 120.570 -1.190 0.000 2.411 3139 I HA 0.063 4.238 4.170 0.008 0.000 0.284 3139 I C 0.933 176.329 176.117 -1.203 0.000 1.012 3139 I CA -0.828 59.950 61.300 -0.870 0.000 1.119 3139 I CB 1.119 38.728 38.000 -0.652 0.000 1.261 3139 I HN 0.395 nan 8.210 nan 0.000 0.448 3140 H N 4.630 123.371 119.070 -0.548 0.000 2.836 3140 H HA 0.354 4.915 4.556 0.007 0.000 0.368 3140 H C 0.115 175.436 175.328 -0.012 0.000 1.164 3140 H CA -0.351 55.561 56.048 -0.227 0.000 1.425 3140 H CB 0.876 30.768 29.762 0.217 0.000 1.414 3140 H HN 0.621 nan 8.280 nan 0.000 0.614 3141 G N -1.320 107.657 108.800 0.296 0.000 2.606 3141 G HA2 0.449 4.414 3.960 0.008 0.000 0.262 3141 G HA3 0.449 4.414 3.960 0.008 0.000 0.262 3141 G C 0.472 175.656 174.900 0.475 0.000 1.394 3141 G CA -0.647 44.639 45.100 0.310 0.000 1.044 3141 G HN 1.195 nan 8.290 nan 0.000 0.553 3142 G N -2.984 106.042 108.800 0.375 0.000 2.174 3142 G HA2 0.379 4.344 3.960 0.008 0.000 0.140 3142 G HA3 0.379 4.344 3.960 0.008 0.000 0.140 3142 G C 1.124 176.134 174.900 0.183 0.000 1.031 3142 G CA 0.759 46.035 45.100 0.293 0.000 0.728 3142 G HN 2.353 nan 8.290 nan 0.000 0.496 3143 G N 0.243 109.139 108.800 0.159 0.000 2.203 3143 G HA2 -0.163 3.802 3.960 0.008 0.000 0.263 3143 G HA3 -0.163 3.802 3.960 0.008 0.000 0.263 3143 G C 1.088 175.962 174.900 -0.043 0.000 1.012 3143 G CA 0.703 45.836 45.100 0.054 0.000 0.749 3143 G HN 1.796 nan 8.290 nan 0.000 0.512 3144 L N -3.461 117.765 121.223 0.005 0.000 4.232 3144 L HA -0.270 4.075 4.340 0.008 0.000 0.415 3144 L C 1.889 178.713 176.870 -0.077 0.000 1.168 3144 L CA 1.481 56.265 54.840 -0.093 0.000 0.966 3144 L CB -1.430 40.241 42.059 -0.646 0.000 2.052 3144 L HN 0.454 nan 8.230 nan 0.000 0.887 3145 M N -1.199 118.402 119.600 0.002 0.000 2.447 3145 M HA 0.335 4.819 4.480 0.008 0.000 0.255 3145 M C 0.545 176.879 176.300 0.056 0.000 1.289 3145 M CA 1.073 56.379 55.300 0.011 0.000 1.128 3145 M CB 1.080 33.679 32.600 -0.002 0.000 1.540 3145 M HN 0.192 nan 8.290 nan 0.000 0.557 3146 V N -1.984 117.971 119.914 0.068 0.000 3.087 3146 V HA 1.033 5.158 4.120 0.008 0.000 0.306 3146 V C -0.681 175.451 176.094 0.063 0.000 1.187 3146 V CA -0.219 62.105 62.300 0.041 0.000 0.999 3146 V CB 1.609 33.447 31.823 0.025 0.000 1.049 3146 V HN 0.465 nan 8.190 nan 0.000 0.431 3147 G N 0.649 109.411 108.800 -0.062 0.000 2.350 3147 G HA2 0.741 4.705 3.960 0.008 0.000 0.305 3147 G HA3 0.741 4.705 3.960 0.008 0.000 0.305 3147 G C -0.909 173.587 174.900 -0.673 0.000 1.479 3147 G CA 0.188 45.108 45.100 -0.300 0.000 0.949 3147 G HN 2.393 nan 8.290 nan 0.000 0.651 3148 A N -0.893 121.414 122.820 -0.855 0.000 2.609 3148 A HA 1.033 5.358 4.320 0.008 0.000 0.291 3148 A C 0.672 178.183 177.584 -0.121 0.000 1.096 3148 A CA 0.341 52.119 52.037 -0.432 0.000 0.684 3148 A CB 1.164 20.044 19.000 -0.199 0.000 1.282 3148 A HN 2.437 nan 8.150 nan 0.000 0.412 3149 A N -0.141 122.761 122.820 0.137 0.000 2.044 3149 A HA 0.253 4.578 4.320 0.008 0.000 0.213 3149 A C 1.779 179.524 177.584 0.268 0.000 1.169 3149 A CA 1.709 53.951 52.037 0.340 0.000 0.724 3149 A CB -0.501 18.708 19.000 0.347 0.000 0.840 3149 A HN 0.934 nan 8.150 nan 0.000 0.463 3150 S N 0.191 115.962 115.700 0.119 0.000 2.547 3150 S HA -0.083 4.392 4.470 0.008 0.000 0.235 3150 S C 1.720 176.221 174.600 -0.165 0.000 0.980 3150 S CA 1.414 59.610 58.200 -0.007 0.000 0.941 3150 S CB -0.365 62.710 63.200 -0.208 0.000 0.763 3150 S HN 0.677 nan 8.310 nan 0.000 0.532 3151 T N 0.864 115.335 114.554 -0.139 0.000 2.821 3151 T HA -0.028 4.327 4.350 0.008 0.000 0.267 3151 T C -0.081 174.276 174.700 -0.572 0.000 1.046 3151 T CA 1.014 62.888 62.100 -0.377 0.000 1.139 3151 T CB -0.192 68.380 68.868 -0.493 0.000 0.871 3151 T HN 0.386 nan 8.240 nan 0.000 0.454 3152 Y N 1.755 121.860 120.300 -0.324 0.000 2.385 3152 Y HA 0.486 5.041 4.550 0.008 0.000 0.341 3152 Y C -0.126 175.466 175.900 -0.513 0.000 0.965 3152 Y CA -2.493 55.201 58.100 -0.678 0.000 1.180 3152 Y CB 0.400 38.107 38.460 -1.255 0.000 1.139 3152 Y HN -0.086 nan 8.280 nan 0.000 0.502 3153 D N 2.187 122.379 120.400 -0.346 0.000 2.313 3153 D HA 0.228 4.873 4.640 0.008 0.000 0.239 3153 D C 0.975 177.000 176.300 -0.459 0.000 1.142 3153 D CA -0.230 53.601 54.000 -0.282 0.000 0.847 3153 D CB 1.488 42.226 40.800 -0.103 0.000 1.082 3153 D HN 0.812 nan 8.370 nan 0.000 0.480 3154 G N 3.691 111.848 108.800 -1.071 0.000 3.088 3154 G HA2 -0.061 3.904 3.960 0.008 0.000 0.212 3154 G HA3 -0.061 3.904 3.960 0.008 0.000 0.212 3154 G C 1.446 176.096 174.900 -0.418 0.000 1.173 3154 G CA -0.243 44.457 45.100 -0.666 0.000 0.779 3154 G HN 0.564 nan 8.290 nan 0.000 0.540 3155 L N 0.574 121.603 121.223 -0.324 0.000 1.963 3155 L HA -0.214 4.131 4.340 0.008 0.000 0.220 3155 L C 3.084 179.914 176.870 -0.067 0.000 1.076 3155 L CA 2.180 57.001 54.840 -0.032 0.000 0.772 3155 L CB -0.538 41.548 42.059 0.046 0.000 0.892 3155 L HN 0.334 nan 8.230 nan 0.000 0.435 3156 A N -0.176 122.619 122.820 -0.042 0.000 1.849 3156 A HA -0.314 4.010 4.320 0.008 0.000 0.217 3156 A C 2.131 179.671 177.584 -0.073 0.000 1.202 3156 A CA 2.237 54.263 52.037 -0.018 0.000 0.629 3156 A CB -1.186 17.843 19.000 0.047 0.000 0.834 3156 A HN 0.520 nan 8.150 nan 0.000 0.447 3157 L N -0.251 120.928 121.223 -0.074 0.000 2.012 3157 L HA -0.136 4.209 4.340 0.008 0.000 0.210 3157 L C 2.706 179.538 176.870 -0.065 0.000 1.073 3157 L CA 2.539 57.321 54.840 -0.097 0.000 0.748 3157 L CB -1.173 40.813 42.059 -0.122 0.000 0.891 3157 L HN 0.417 nan 8.230 nan 0.000 0.431 3158 A N -0.493 122.304 122.820 -0.038 0.000 1.865 3158 A HA -0.157 4.168 4.320 0.008 0.000 0.217 3158 A C 2.451 179.985 177.584 -0.084 0.000 1.191 3158 A CA 2.429 54.469 52.037 0.004 0.000 0.623 3158 A CB -1.338 17.719 19.000 0.095 0.000 0.826 3158 A HN 0.622 nan 8.150 nan 0.000 0.444 3159 A N -1.793 120.890 122.820 -0.228 0.000 1.898 3159 A HA -0.158 4.167 4.320 0.008 0.000 0.216 3159 A C 2.124 179.289 177.584 -0.698 0.000 1.181 3159 A CA 1.553 53.273 52.037 -0.528 0.000 0.620 3159 A CB -0.886 17.602 19.000 -0.854 0.000 0.819 3159 A HN 0.661 nan 8.150 nan 0.000 0.442 3160 H N -0.565 118.161 119.070 -0.573 0.000 2.357 3160 H HA -0.019 4.541 4.556 0.008 0.000 0.301 3160 H C 1.164 176.426 175.328 -0.110 0.000 1.082 3160 H CA 1.620 57.475 56.048 -0.322 0.000 1.342 3160 H CB 0.243 29.783 29.762 -0.371 0.000 1.389 3160 H HN 0.427 nan 8.280 nan 0.000 0.511 3161 E N 0.080 120.289 120.200 0.014 0.000 2.498 3161 E HA 0.002 4.357 4.350 0.008 0.000 0.203 3161 E C 0.187 176.808 176.600 0.034 0.000 1.013 3161 E CA -0.205 56.214 56.400 0.032 0.000 0.927 3161 E CB 0.140 29.850 29.700 0.016 0.000 1.012 3161 E HN 0.326 nan 8.360 nan 0.000 0.482 3162 N N 0.797 119.506 118.700 0.016 0.000 2.754 3162 N HA -0.146 4.599 4.740 0.008 0.000 0.248 3162 N C -0.296 175.247 175.510 0.055 0.000 1.093 3162 N CA 0.825 53.897 53.050 0.037 0.000 0.699 3162 N CB -1.190 37.330 38.487 0.055 0.000 1.016 3162 N HN 0.098 nan 8.380 nan 0.000 0.552 3163 V N -3.320 116.628 119.914 0.057 0.000 3.019 3163 V HA 0.773 4.897 4.120 0.008 0.000 0.317 3163 V C 0.638 176.803 176.094 0.118 0.000 1.094 3163 V CA -0.792 61.556 62.300 0.079 0.000 1.000 3163 V CB 2.297 34.158 31.823 0.063 0.000 1.060 3163 V HN -0.130 nan 8.190 nan 0.000 0.443 3164 V N 2.795 122.797 119.914 0.148 0.000 2.364 3164 V HA 0.380 4.505 4.120 0.008 0.000 0.272 3164 V C 0.100 176.332 176.094 0.230 0.000 1.036 3164 V CA -0.287 62.132 62.300 0.199 0.000 0.880 3164 V CB 1.219 33.162 31.823 0.200 0.000 0.991 3164 V HN 0.742 nan 8.190 nan 0.000 0.460 3165 V N 6.313 126.399 119.914 0.287 0.000 2.465 3165 V HA 0.468 4.593 4.120 0.008 0.000 0.279 3165 V C -0.033 176.317 176.094 0.426 0.000 1.045 3165 V CA -0.387 62.122 62.300 0.348 0.000 0.938 3165 V CB 1.752 33.754 31.823 0.298 0.000 0.986 3165 V HN 0.581 nan 8.190 nan 0.000 0.467 3166 V N 3.889 124.038 119.914 0.392 0.000 2.531 3166 V HA 0.545 4.670 4.120 0.008 0.000 0.301 3166 V C 0.034 176.335 176.094 0.345 0.000 1.034 3166 V CA -0.509 61.982 62.300 0.319 0.000 0.865 3166 V CB 2.315 34.262 31.823 0.206 0.000 0.995 3166 V HN 1.011 nan 8.190 nan 0.000 0.424 3167 T N 3.413 118.171 114.554 0.341 0.000 2.779 3167 T HA 0.809 5.164 4.350 0.008 0.000 0.280 3167 T C -0.498 174.339 174.700 0.228 0.000 0.987 3167 T CA -0.516 61.792 62.100 0.346 0.000 0.966 3167 T CB 1.342 70.460 68.868 0.417 0.000 0.933 3167 T HN 0.690 nan 8.240 nan 0.000 0.442 3168 I N 0.302 120.974 120.570 0.170 0.000 2.750 3168 I HA 0.678 4.853 4.170 0.008 0.000 0.308 3168 I C -0.574 175.714 176.117 0.285 0.000 1.016 3168 I CA -1.168 60.193 61.300 0.101 0.000 1.098 3168 I CB 2.019 39.946 38.000 -0.122 0.000 1.279 3168 I HN 0.582 nan 8.210 nan 0.000 0.454 3169 Q N 2.462 122.487 119.800 0.375 0.000 2.378 3169 Q HA 0.625 4.970 4.340 0.008 0.000 0.276 3169 Q C -1.869 174.460 176.000 0.550 0.000 1.083 3169 Q CA -0.821 55.244 55.803 0.438 0.000 0.856 3169 Q CB 2.710 31.643 28.738 0.324 0.000 1.383 3169 Q HN 0.738 nan 8.270 nan 0.000 0.458 3170 Y N -3.070 117.381 120.300 0.251 0.000 2.604 3170 Y HA 0.462 5.016 4.550 0.007 0.000 0.331 3170 Y C -1.151 174.847 175.900 0.162 0.000 1.158 3170 Y CA -1.425 56.793 58.100 0.197 0.000 1.056 3170 Y CB 0.597 39.139 38.460 0.137 0.000 1.330 3170 Y HN 0.422 nan 8.280 nan 0.000 0.457 3171 R N 2.029 122.636 120.500 0.178 0.000 2.583 3171 R HA 0.377 4.722 4.340 0.008 0.000 0.274 3171 R C -0.849 175.589 176.300 0.230 0.000 0.998 3171 R CA 0.210 56.391 56.100 0.135 0.000 1.081 3171 R CB 0.149 30.553 30.300 0.174 0.000 0.940 3171 R HN 0.663 nan 8.270 nan 0.000 0.413 3172 L N 1.354 122.713 121.223 0.227 0.000 2.304 3172 L HA 0.520 4.865 4.340 0.008 0.000 0.268 3172 L C 1.353 178.501 176.870 0.464 0.000 1.010 3172 L CA -0.549 54.500 54.840 0.349 0.000 0.813 3172 L CB 1.247 43.384 42.059 0.130 0.000 1.315 3172 L HN 0.865 nan 8.230 nan 0.000 0.445 3173 G N 0.357 109.368 108.800 0.351 0.000 2.602 3173 G HA2 -0.337 3.628 3.960 0.008 0.000 0.317 3173 G HA3 -0.337 3.628 3.960 0.008 0.000 0.317 3173 G C 0.959 176.086 174.900 0.378 0.000 1.327 3173 G CA 0.669 45.903 45.100 0.224 0.000 0.971 3173 G HN 0.698 nan 8.290 nan 0.000 0.540 3174 I N -0.785 119.923 120.570 0.231 0.000 2.103 3174 I HA -0.311 3.864 4.170 0.008 0.000 0.241 3174 I C 2.855 179.193 176.117 0.369 0.000 1.036 3174 I CA 2.880 64.293 61.300 0.189 0.000 1.300 3174 I CB -0.422 37.453 38.000 -0.207 0.000 1.010 3174 I HN 0.582 nan 8.210 nan 0.000 0.406 3175 W N 0.572 122.035 121.300 0.271 0.000 2.317 3175 W HA -0.158 4.503 4.660 0.001 0.000 0.318 3175 W C 2.460 179.148 176.519 0.280 0.000 1.227 3175 W CA 1.476 58.895 57.345 0.123 0.000 1.269 3175 W CB -1.067 28.381 29.460 -0.020 0.000 1.155 3175 W HN 0.261 nan 8.180 nan 0.000 0.484 3176 G N -2.190 106.934 108.800 0.541 0.000 2.939 3176 G HA2 0.023 3.988 3.960 0.008 0.000 0.210 3176 G HA3 0.023 3.988 3.960 0.008 0.000 0.210 3176 G C 0.629 175.415 174.900 -0.190 0.000 1.160 3176 G CA 0.084 45.336 45.100 0.254 0.000 0.770 3176 G HN 0.190 nan 8.290 nan 0.000 0.543 3177 F N -1.155 118.986 119.950 0.318 0.000 2.901 3177 F HA 0.381 4.915 4.527 0.012 0.000 0.329 3177 F C 0.057 175.912 175.800 0.092 0.000 1.185 3177 F CA -1.411 56.626 58.000 0.063 0.000 1.114 3177 F CB 0.402 39.383 39.000 -0.030 0.000 1.199 3177 F HN -0.017 nan 8.300 nan 0.000 0.513 3178 F N 2.079 122.214 119.950 0.308 0.000 2.495 3178 F HA 0.482 5.016 4.527 0.012 0.000 0.365 3178 F C 0.340 176.189 175.800 0.081 0.000 1.090 3178 F CA 0.144 58.235 58.000 0.153 0.000 1.235 3178 F CB 0.643 39.679 39.000 0.059 0.000 1.119 3178 F HN -0.088 nan 8.300 nan 0.000 0.562 3179 S N 2.981 118.273 115.700 -0.680 0.000 2.549 3179 S HA 0.453 4.928 4.470 0.008 0.000 0.280 3179 S C 0.238 174.466 174.600 -0.621 0.000 1.109 3179 S CA -0.039 57.878 58.200 -0.473 0.000 0.905 3179 S CB 1.535 64.566 63.200 -0.283 0.000 1.081 3179 S HN 0.826 nan 8.310 nan 0.000 0.477 3180 T N -0.079 114.303 114.554 -0.287 0.000 3.044 3180 T HA 0.432 4.787 4.350 0.008 0.000 0.260 3180 T C 1.389 176.036 174.700 -0.089 0.000 1.019 3180 T CA 0.638 62.632 62.100 -0.177 0.000 0.921 3180 T CB 0.113 68.982 68.868 0.002 0.000 1.053 3180 T HN 1.769 nan 8.240 nan 0.000 0.533 3181 G N 2.143 110.885 108.800 -0.096 0.000 2.179 3181 G HA2 -0.201 3.764 3.960 0.008 0.000 0.260 3181 G HA3 -0.201 3.764 3.960 0.008 0.000 0.260 3181 G C -0.257 174.629 174.900 -0.024 0.000 0.977 3181 G CA 0.446 45.509 45.100 -0.062 0.000 0.641 3181 G HN 0.974 nan 8.290 nan 0.000 0.533 3182 D N -2.019 118.386 120.400 0.007 0.000 2.744 3182 D HA 0.470 5.115 4.640 0.008 0.000 0.304 3182 D C 1.338 177.645 176.300 0.011 0.000 1.179 3182 D CA -0.016 53.997 54.000 0.023 0.000 1.024 3182 D CB -0.197 40.648 40.800 0.075 0.000 1.453 3182 D HN 0.106 nan 8.370 nan 0.000 0.529 3183 E N -0.152 120.006 120.200 -0.071 0.000 2.273 3183 E HA -0.283 4.072 4.350 0.008 0.000 0.198 3183 E C 0.883 177.400 176.600 -0.139 0.000 1.002 3183 E CA 1.348 57.667 56.400 -0.135 0.000 0.828 3183 E CB -0.695 28.866 29.700 -0.231 0.000 0.747 3183 E HN 0.563 nan 8.360 nan 0.000 0.491 3184 H N 0.264 119.392 119.070 0.097 0.000 2.546 3184 H HA 0.158 4.716 4.556 0.003 0.000 0.277 3184 H C 0.379 175.821 175.328 0.190 0.000 1.004 3184 H CA 1.152 57.271 56.048 0.118 0.000 1.231 3184 H CB 0.379 30.194 29.762 0.089 0.000 1.382 3184 H HN 0.125 nan 8.280 nan 0.000 0.580 3185 S N -0.292 115.592 115.700 0.308 0.000 2.862 3185 S HA 0.131 4.606 4.470 0.008 0.000 0.148 3185 S C 0.808 175.564 174.600 0.260 0.000 0.829 3185 S CA -0.602 57.883 58.200 0.475 0.000 0.991 3185 S CB 0.064 63.537 63.200 0.454 0.000 1.607 3185 S HN 0.199 nan 8.310 nan 0.000 0.474 3186 R N 1.541 122.141 120.500 0.168 0.000 2.096 3186 R HA 0.166 4.511 4.340 0.008 0.000 0.240 3186 R C 1.521 177.600 176.300 -0.369 0.000 1.139 3186 R CA 1.476 57.511 56.100 -0.110 0.000 0.952 3186 R CB -0.339 29.893 30.300 -0.112 0.000 0.854 3186 R HN 0.922 nan 8.270 nan 0.000 0.436 3187 G N -0.703 107.517 108.800 -0.966 0.000 2.396 3187 G HA2 -0.207 3.758 3.960 0.008 0.000 0.254 3187 G HA3 -0.207 3.758 3.960 0.008 0.000 0.254 3187 G C -0.755 173.273 174.900 -1.452 0.000 1.248 3187 G CA -0.357 43.999 45.100 -1.240 0.000 1.033 3187 G HN 0.241 nan 8.290 nan 0.000 0.502 3188 N N -0.851 117.341 118.700 -0.847 0.000 2.714 3188 N HA -0.201 4.543 4.740 0.008 0.000 0.250 3188 N C 1.153 176.318 175.510 -0.575 0.000 1.117 3188 N CA 1.920 54.623 53.050 -0.578 0.000 0.719 3188 N CB -1.592 36.775 38.487 -0.201 0.000 1.081 3188 N HN 0.701 nan 8.380 nan 0.000 0.557 3189 W N 0.313 121.440 121.300 -0.288 0.000 2.325 3189 W HA -0.141 4.538 4.660 0.030 0.000 0.299 3189 W C 2.448 178.805 176.519 -0.270 0.000 1.215 3189 W CA 0.662 57.899 57.345 -0.181 0.000 1.244 3189 W CB -0.573 28.844 29.460 -0.072 0.000 1.140 3189 W HN 0.311 nan 8.180 nan 0.000 0.523 3190 G N -0.112 108.383 108.800 -0.507 0.000 2.421 3190 G HA2 -0.262 3.703 3.960 0.008 0.000 0.216 3190 G HA3 -0.262 3.703 3.960 0.008 0.000 0.216 3190 G C 1.178 175.980 174.900 -0.164 0.000 1.171 3190 G CA 1.283 46.175 45.100 -0.348 0.000 0.775 3190 G HN 0.282 nan 8.290 nan 0.000 0.543 3191 H N 0.284 119.233 119.070 -0.201 0.000 2.423 3191 H HA 0.103 4.664 4.556 0.009 0.000 0.297 3191 H C 2.689 177.981 175.328 -0.059 0.000 1.075 3191 H CA 0.625 56.596 56.048 -0.128 0.000 1.342 3191 H CB -0.264 29.444 29.762 -0.090 0.000 1.395 3191 H HN 0.262 nan 8.280 nan 0.000 0.530 3192 L N 0.398 121.682 121.223 0.102 0.000 2.093 3192 L HA -0.153 4.192 4.340 0.008 0.000 0.208 3192 L C 2.058 179.027 176.870 0.165 0.000 1.085 3192 L CA 1.008 55.928 54.840 0.134 0.000 0.755 3192 L CB -0.183 41.986 42.059 0.184 0.000 0.904 3192 L HN 0.126 nan 8.230 nan 0.000 0.435 3193 D N -0.184 120.329 120.400 0.188 0.000 2.117 3193 D HA -0.194 4.451 4.640 0.008 0.000 0.197 3193 D C 2.256 178.738 176.300 0.303 0.000 0.987 3193 D CA 1.106 55.288 54.000 0.303 0.000 0.829 3193 D CB -0.138 40.861 40.800 0.333 0.000 0.961 3193 D HN 0.427 nan 8.370 nan 0.000 0.460 3194 Q N 0.271 120.140 119.800 0.115 0.000 2.096 3194 Q HA -0.101 4.244 4.340 0.008 0.000 0.204 3194 Q C 2.412 178.402 176.000 -0.016 0.000 0.982 3194 Q CA 0.874 56.653 55.803 -0.040 0.000 0.850 3194 Q CB 0.014 28.640 28.738 -0.186 0.000 0.901 3194 Q HN 0.158 nan 8.270 nan 0.000 0.422 3195 V N 0.908 120.849 119.914 0.046 0.000 2.323 3195 V HA -0.240 3.885 4.120 0.008 0.000 0.244 3195 V C 2.305 178.470 176.094 0.119 0.000 1.041 3195 V CA 1.691 64.030 62.300 0.065 0.000 1.025 3195 V CB -0.975 30.894 31.823 0.077 0.000 0.656 3195 V HN 0.402 nan 8.190 nan 0.000 0.451 3196 A N 0.060 122.995 122.820 0.191 0.000 1.948 3196 A HA -0.231 4.094 4.320 0.008 0.000 0.220 3196 A C 2.386 180.162 177.584 0.320 0.000 1.177 3196 A CA 2.405 54.612 52.037 0.282 0.000 0.636 3196 A CB -0.755 18.459 19.000 0.357 0.000 0.815 3196 A HN 0.602 nan 8.150 nan 0.000 0.449 3197 A N -0.361 122.530 122.820 0.119 0.000 1.898 3197 A HA 0.016 4.341 4.320 0.008 0.000 0.216 3197 A C 2.082 179.658 177.584 -0.013 0.000 1.181 3197 A CA 1.374 53.212 52.037 -0.332 0.000 0.620 3197 A CB -0.556 17.896 19.000 -0.914 0.000 0.819 3197 A HN 0.476 nan 8.150 nan 0.000 0.442 3198 L N -1.364 119.871 121.223 0.020 0.000 2.275 3198 L HA -0.101 4.244 4.340 0.008 0.000 0.215 3198 L C 2.723 179.666 176.870 0.121 0.000 1.119 3198 L CA 0.984 55.870 54.840 0.076 0.000 0.790 3198 L CB -0.404 41.696 42.059 0.068 0.000 0.919 3198 L HN 0.388 nan 8.230 nan 0.000 0.443 3199 R N -0.987 119.602 120.500 0.148 0.000 2.119 3199 R HA -0.159 4.186 4.340 0.008 0.000 0.222 3199 R C 2.103 178.492 176.300 0.149 0.000 1.088 3199 R CA 1.117 57.297 56.100 0.133 0.000 0.984 3199 R CB -0.193 30.195 30.300 0.146 0.000 0.884 3199 R HN 0.329 nan 8.270 nan 0.000 0.447 3200 W N 0.540 121.881 121.300 0.068 0.000 2.354 3200 W HA -0.237 4.427 4.660 0.006 0.000 0.315 3200 W C 1.719 178.264 176.519 0.043 0.000 1.206 3200 W CA 1.513 58.907 57.345 0.082 0.000 1.290 3200 W CB -0.444 29.085 29.460 0.116 0.000 1.152 3200 W HN -0.214 nan 8.180 nan 0.000 0.489 3201 V N 1.064 121.147 119.914 0.281 0.000 2.282 3201 V HA -0.406 3.719 4.120 0.008 0.000 0.249 3201 V C 2.546 178.633 176.094 -0.012 0.000 1.057 3201 V CA 2.295 64.685 62.300 0.150 0.000 1.032 3201 V CB -1.285 30.651 31.823 0.189 0.000 0.645 3201 V HN 0.246 nan 8.190 nan 0.000 0.447 3202 Q N -0.109 119.698 119.800 0.012 0.000 2.135 3202 Q HA -0.211 4.134 4.340 0.008 0.000 0.204 3202 Q C 1.817 177.766 176.000 -0.085 0.000 0.981 3202 Q CA 1.663 57.462 55.803 -0.006 0.000 0.856 3202 Q CB -0.534 28.214 28.738 0.017 0.000 0.902 3202 Q HN 0.687 nan 8.270 nan 0.000 0.425 3203 D N -0.742 119.552 120.400 -0.176 0.000 2.350 3203 D HA 0.037 4.682 4.640 0.008 0.000 0.213 3203 D C 0.875 176.951 176.300 -0.374 0.000 1.031 3203 D CA 0.260 54.109 54.000 -0.251 0.000 0.861 3203 D CB 0.218 40.860 40.800 -0.263 0.000 0.926 3203 D HN 0.320 nan 8.370 nan 0.000 0.520 3204 N N -0.390 118.021 118.700 -0.481 0.000 2.066 3204 N HA 0.004 4.749 4.740 0.008 0.000 0.232 3204 N C 1.448 176.862 175.510 -0.161 0.000 1.316 3204 N CA -0.187 52.564 53.050 -0.497 0.000 0.847 3204 N CB 0.857 38.639 38.487 -1.176 0.000 1.165 3204 N HN -0.049 nan 8.380 nan 0.000 0.471 3205 I N 2.976 123.476 120.570 -0.116 0.000 2.315 3205 I HA -0.174 4.001 4.170 0.008 0.000 0.251 3205 I C 2.285 178.511 176.117 0.182 0.000 1.125 3205 I CA 0.891 62.257 61.300 0.109 0.000 1.392 3205 I CB -0.290 37.764 38.000 0.090 0.000 1.065 3205 I HN 0.137 nan 8.210 nan 0.000 0.424 3206 A N -1.105 121.755 122.820 0.066 0.000 1.940 3206 A HA -0.234 4.091 4.320 0.008 0.000 0.219 3206 A C 2.459 180.067 177.584 0.039 0.000 1.176 3206 A CA 2.111 54.176 52.037 0.047 0.000 0.631 3206 A CB -1.074 17.921 19.000 -0.008 0.000 0.814 3206 A HN 0.438 nan 8.150 nan 0.000 0.446 3207 S N -1.335 114.363 115.700 -0.003 0.000 2.469 3207 S HA -0.032 4.443 4.470 0.008 0.000 0.238 3207 S C 0.679 175.081 174.600 -0.330 0.000 0.998 3207 S CA 0.859 58.947 58.200 -0.187 0.000 0.957 3207 S CB -0.417 62.583 63.200 -0.333 0.000 0.764 3207 S HN 0.565 nan 8.310 nan 0.000 0.514 3208 F N 0.317 120.250 119.950 -0.029 0.000 2.641 3208 F HA 0.370 4.902 4.527 0.008 0.000 0.302 3208 F C 1.648 177.493 175.800 0.076 0.000 1.098 3208 F CA -0.010 57.998 58.000 0.013 0.000 1.318 3208 F CB 0.055 39.060 39.000 0.009 0.000 1.035 3208 F HN 0.189 nan 8.300 nan 0.000 0.551 3209 G N 0.129 109.030 108.800 0.167 0.000 2.176 3209 G HA2 -0.173 3.792 3.960 0.008 0.000 0.253 3209 G HA3 -0.173 3.792 3.960 0.008 0.000 0.253 3209 G C 0.575 175.557 174.900 0.138 0.000 0.979 3209 G CA -0.212 44.970 45.100 0.138 0.000 0.641 3209 G HN 0.753 nan 8.290 nan 0.000 0.530 3210 G N -0.430 108.467 108.800 0.162 0.000 2.410 3210 G HA2 0.514 4.479 3.960 0.008 0.000 0.330 3210 G HA3 0.514 4.479 3.960 0.008 0.000 0.330 3210 G C -0.361 174.596 174.900 0.095 0.000 1.142 3210 G CA -0.073 45.108 45.100 0.135 0.000 0.902 3210 G HN 0.548 nan 8.290 nan 0.000 0.491 3211 N N 1.890 120.636 118.700 0.076 0.000 2.420 3211 N HA 0.285 5.030 4.740 0.008 0.000 0.249 3211 N C -0.900 174.646 175.510 0.060 0.000 1.033 3211 N CA -2.181 50.898 53.050 0.047 0.000 0.944 3211 N CB 1.821 40.319 38.487 0.019 0.000 1.113 3211 N HN 0.121 nan 8.380 nan 0.000 0.502 3212 P HA -0.032 nan 4.420 nan 0.000 0.222 3212 P C 0.909 178.287 177.300 0.129 0.000 1.147 3212 P CA 0.792 63.947 63.100 0.091 0.000 0.790 3212 P CB 0.099 31.829 31.700 0.050 0.000 0.780 3213 G N -0.772 108.030 108.800 0.003 0.000 2.956 3213 G HA2 -0.007 3.958 3.960 0.008 0.000 0.207 3213 G HA3 -0.007 3.958 3.960 0.008 0.000 0.207 3213 G C 0.421 174.984 174.900 -0.562 0.000 1.162 3213 G CA 0.159 45.147 45.100 -0.187 0.000 0.796 3213 G HN 0.388 nan 8.290 nan 0.000 0.527 3214 S N -0.253 115.350 115.700 -0.162 0.000 2.413 3214 S HA 0.439 4.914 4.470 0.008 0.000 0.170 3214 S C -1.105 173.647 174.600 0.253 0.000 1.294 3214 S CA -0.456 57.723 58.200 -0.035 0.000 1.201 3214 S CB 0.588 63.744 63.200 -0.074 0.000 1.328 3214 S HN -0.036 nan 8.310 nan 0.000 0.418 3215 V N 3.843 124.094 119.914 0.561 0.000 2.409 3215 V HA 0.553 4.678 4.120 0.008 0.000 0.291 3215 V C 0.164 176.407 176.094 0.249 0.000 1.020 3215 V CA -0.447 62.032 62.300 0.298 0.000 0.848 3215 V CB 1.842 33.806 31.823 0.235 0.000 0.990 3215 V HN 0.719 nan 8.190 nan 0.000 0.430 3216 T N 6.601 121.269 114.554 0.189 0.000 2.771 3216 T HA 0.622 4.977 4.350 0.008 0.000 0.281 3216 T C -0.096 174.727 174.700 0.205 0.000 0.982 3216 T CA -0.150 62.049 62.100 0.166 0.000 0.978 3216 T CB 0.799 69.711 68.868 0.074 0.000 0.930 3216 T HN 0.614 nan 8.240 nan 0.000 0.447 3217 I N 1.468 122.123 120.570 0.141 0.000 2.577 3217 I HA 0.936 5.111 4.170 0.008 0.000 0.305 3217 I C -0.855 175.441 176.117 0.298 0.000 0.986 3217 I CA -1.088 60.284 61.300 0.120 0.000 1.189 3217 I CB 1.388 39.230 38.000 -0.263 0.000 1.355 3217 I HN 0.580 nan 8.210 nan 0.000 0.476 3218 F N 1.898 121.813 119.950 -0.059 0.000 2.744 3218 F HA 0.928 5.461 4.527 0.009 0.000 0.311 3218 F C -0.662 174.969 175.800 -0.282 0.000 1.144 3218 F CA -0.837 57.149 58.000 -0.024 0.000 0.938 3218 F CB 0.889 40.004 39.000 0.192 0.000 1.292 3218 F HN 0.931 nan 8.300 nan 0.000 0.444 3219 G N 1.010 109.500 108.800 -0.518 0.000 2.451 3219 G HA2 0.541 4.506 3.960 0.008 0.000 0.292 3219 G HA3 0.541 4.506 3.960 0.008 0.000 0.292 3219 G C -2.415 172.196 174.900 -0.483 0.000 1.427 3219 G CA -0.464 43.831 45.100 -1.342 0.000 0.792 3219 G HN 1.167 nan 8.290 nan 0.000 0.498 3220 E N -0.587 119.386 120.200 -0.378 0.000 2.244 3220 E HA 0.790 5.145 4.350 0.008 0.000 0.266 3220 E C 0.680 177.312 176.600 0.053 0.000 0.914 3220 E CA 0.178 56.576 56.400 -0.004 0.000 0.794 3220 E CB 1.943 31.704 29.700 0.101 0.000 1.210 3220 E HN 1.249 nan 8.360 nan 0.000 0.414 3221 S N 1.375 117.194 115.700 0.199 0.000 4.116 3221 S HA -0.367 4.108 4.470 0.008 0.000 0.623 3221 S C 1.463 176.173 174.600 0.183 0.000 1.933 3221 S CA 1.743 60.164 58.200 0.368 0.000 4.224 3221 S CB -1.828 61.689 63.200 0.528 0.000 0.208 3221 S HN 1.430 nan 8.310 nan 0.000 0.527 3222 A N 0.788 123.704 122.820 0.160 0.000 2.070 3222 A HA 0.189 4.514 4.320 0.008 0.000 0.220 3222 A C 2.215 179.795 177.584 -0.007 0.000 1.159 3222 A CA 2.280 54.361 52.037 0.073 0.000 0.656 3222 A CB -1.242 17.816 19.000 0.098 0.000 0.800 3222 A HN 1.434 nan 8.150 nan 0.000 0.453 3223 G N -0.979 107.775 108.800 -0.077 0.000 2.494 3223 G HA2 0.179 4.144 3.960 0.008 0.000 0.216 3223 G HA3 0.179 4.144 3.960 0.008 0.000 0.216 3223 G C 1.356 176.110 174.900 -0.245 0.000 1.140 3223 G CA 0.993 45.921 45.100 -0.287 0.000 0.801 3223 G HN 0.619 nan 8.290 nan 0.000 0.536 3224 G N 0.248 108.983 108.800 -0.108 0.000 2.430 3224 G HA2 -0.070 3.895 3.960 0.008 0.000 0.216 3224 G HA3 -0.070 3.895 3.960 0.008 0.000 0.216 3224 G C 1.498 176.381 174.900 -0.028 0.000 1.146 3224 G CA 0.958 46.035 45.100 -0.038 0.000 0.793 3224 G HN 0.414 nan 8.290 nan 0.000 0.537 3225 E N 0.996 121.178 120.200 -0.030 0.000 2.112 3225 E HA -0.047 4.308 4.350 0.008 0.000 0.190 3225 E C 2.408 178.950 176.600 -0.096 0.000 0.979 3225 E CA 0.883 57.255 56.400 -0.047 0.000 0.814 3225 E CB -0.152 29.526 29.700 -0.035 0.000 0.762 3225 E HN 0.300 nan 8.360 nan 0.000 0.460 3226 S N 0.351 115.984 115.700 -0.111 0.000 2.348 3226 S HA -0.114 4.361 4.470 0.008 0.000 0.221 3226 S C 2.142 176.576 174.600 -0.276 0.000 1.033 3226 S CA 1.218 59.300 58.200 -0.196 0.000 1.010 3226 S CB -0.263 62.826 63.200 -0.186 0.000 0.891 3226 S HN 0.145 nan 8.310 nan 0.000 0.442 3227 V N 1.350 121.112 119.914 -0.253 0.000 2.392 3227 V HA -0.181 3.944 4.120 0.008 0.000 0.249 3227 V C 2.562 178.490 176.094 -0.276 0.000 1.059 3227 V CA 2.006 64.129 62.300 -0.295 0.000 1.051 3227 V CB -0.845 30.861 31.823 -0.194 0.000 0.658 3227 V HN 0.522 nan 8.190 nan 0.000 0.455 3228 S N -0.629 114.991 115.700 -0.134 0.000 2.356 3228 S HA -0.172 4.303 4.470 0.008 0.000 0.223 3228 S C 2.013 176.518 174.600 -0.159 0.000 1.032 3228 S CA 1.841 60.001 58.200 -0.067 0.000 1.005 3228 S CB -0.188 63.026 63.200 0.024 0.000 0.867 3228 S HN 0.314 nan 8.310 nan 0.000 0.449 3229 V N 2.520 122.309 119.914 -0.208 0.000 2.255 3229 V HA -0.187 3.938 4.120 0.008 0.000 0.247 3229 V C 2.396 178.349 176.094 -0.235 0.000 1.051 3229 V CA 2.063 64.212 62.300 -0.252 0.000 1.018 3229 V CB -0.727 30.827 31.823 -0.449 0.000 0.641 3229 V HN 0.512 nan 8.190 nan 0.000 0.445 3230 L N -0.327 120.726 121.223 -0.284 0.000 2.129 3230 L HA -0.176 4.169 4.340 0.008 0.000 0.212 3230 L C 2.361 179.179 176.870 -0.087 0.000 1.087 3230 L CA 1.113 55.823 54.840 -0.216 0.000 0.757 3230 L CB -0.776 41.073 42.059 -0.349 0.000 0.896 3230 L HN 0.245 nan 8.230 nan 0.000 0.434 3231 V N 0.036 119.854 119.914 -0.160 0.000 2.759 3231 V HA -0.199 3.926 4.120 0.008 0.000 0.256 3231 V C 2.017 178.098 176.094 -0.021 0.000 1.080 3231 V CA 1.246 63.517 62.300 -0.049 0.000 1.101 3231 V CB -0.237 31.376 31.823 -0.350 0.000 0.698 3231 V HN 0.419 nan 8.190 nan 0.000 0.477 3232 L N -1.312 119.881 121.223 -0.049 0.000 2.664 3232 L HA 0.246 4.590 4.340 0.008 0.000 0.233 3232 L C 1.100 177.959 176.870 -0.018 0.000 1.113 3232 L CA 0.156 54.979 54.840 -0.028 0.000 0.896 3232 L CB 0.282 42.317 42.059 -0.040 0.000 1.163 3232 L HN 0.179 nan 8.230 nan 0.000 0.497 3233 S N 1.334 117.022 115.700 -0.019 0.000 2.489 3233 S HA 0.260 4.735 4.470 0.008 0.000 0.277 3233 S C -1.193 173.421 174.600 0.024 0.000 1.230 3233 S CA -1.431 56.763 58.200 -0.010 0.000 1.053 3233 S CB 1.019 64.198 63.200 -0.034 0.000 0.955 3233 S HN -0.011 nan 8.310 nan 0.000 0.488 3234 P HA -0.076 nan 4.420 nan 0.000 0.222 3234 P C 1.376 178.698 177.300 0.035 0.000 1.147 3234 P CA 0.832 63.951 63.100 0.031 0.000 0.790 3234 P CB 0.066 31.780 31.700 0.024 0.000 0.780 3235 L N -0.737 120.506 121.223 0.034 0.000 2.275 3235 L HA -0.052 4.293 4.340 0.008 0.000 0.215 3235 L C 2.258 179.163 176.870 0.059 0.000 1.119 3235 L CA 1.246 56.111 54.840 0.042 0.000 0.790 3235 L CB -0.669 41.414 42.059 0.040 0.000 0.919 3235 L HN -0.017 nan 8.230 nan 0.000 0.443 3236 A N 0.077 122.946 122.820 0.081 0.000 2.430 3236 A HA 0.089 4.414 4.320 0.008 0.000 0.243 3236 A C 0.657 178.308 177.584 0.111 0.000 1.254 3236 A CA -0.431 51.693 52.037 0.144 0.000 0.914 3236 A CB -0.220 18.919 19.000 0.233 0.000 0.998 3236 A HN 0.324 nan 8.150 nan 0.000 0.515 3237 K N 0.808 121.234 120.400 0.043 0.000 2.448 3237 K HA 0.140 4.465 4.320 0.008 0.000 0.278 3237 K C -0.266 176.303 176.600 -0.052 0.000 1.009 3237 K CA 0.107 56.394 56.287 0.001 0.000 0.995 3237 K CB 0.139 32.670 32.500 0.053 0.000 0.917 3237 K HN 0.151 nan 8.250 nan 0.000 0.481 3238 N N 1.096 119.726 118.700 -0.117 0.000 2.909 3238 N HA -0.178 4.567 4.740 0.008 0.000 0.242 3238 N C 0.188 175.601 175.510 -0.162 0.000 0.975 3238 N CA 1.239 54.210 53.050 -0.132 0.000 0.921 3238 N CB -1.303 37.131 38.487 -0.089 0.000 1.112 3238 N HN 0.671 nan 8.380 nan 0.000 0.581 3239 L N -0.865 120.261 121.223 -0.161 0.000 2.554 3239 L HA 0.244 4.588 4.340 0.008 0.000 0.225 3239 L C 0.410 177.282 176.870 0.004 0.000 1.104 3239 L CA 0.358 55.195 54.840 -0.004 0.000 0.866 3239 L CB -0.030 42.116 42.059 0.145 0.000 1.047 3239 L HN 0.186 nan 8.230 nan 0.000 0.468 3240 F N -4.200 115.533 119.950 -0.362 0.000 2.686 3240 F HA 0.455 4.986 4.527 0.008 0.000 0.311 3240 F C 0.323 175.726 175.800 -0.662 0.000 1.128 3240 F CA -1.033 56.702 58.000 -0.442 0.000 0.946 3240 F CB 0.775 39.664 39.000 -0.184 0.000 1.336 3240 F HN -0.122 nan 8.300 nan 0.000 0.457 3241 H N 0.027 119.108 119.070 0.019 0.000 3.058 3241 H HA 0.427 4.988 4.556 0.009 0.000 0.266 3241 H C -0.549 174.754 175.328 -0.042 0.000 1.135 3241 H CA -0.170 55.827 56.048 -0.087 0.000 1.174 3241 H CB 0.737 30.470 29.762 -0.049 0.000 1.581 3241 H HN 0.525 nan 8.280 nan 0.000 0.553 3242 R N 0.489 121.097 120.500 0.179 0.000 2.594 3242 R HA 0.702 5.047 4.340 0.008 0.000 0.265 3242 R C -1.394 175.063 176.300 0.262 0.000 1.070 3242 R CA -0.735 55.423 56.100 0.097 0.000 0.909 3242 R CB 2.355 32.553 30.300 -0.171 0.000 1.243 3242 R HN 0.071 nan 8.270 nan 0.000 0.455 3243 A N 3.007 125.997 122.820 0.283 0.000 2.401 3243 A HA 0.853 5.178 4.320 0.008 0.000 0.310 3243 A C -0.862 176.955 177.584 0.388 0.000 1.075 3243 A CA -0.784 51.357 52.037 0.172 0.000 0.746 3243 A CB 1.257 20.116 19.000 -0.234 0.000 1.277 3243 A HN 0.642 nan 8.150 nan 0.000 0.425 3244 I N 1.143 121.873 120.570 0.266 0.000 2.534 3244 I HA 0.356 4.531 4.170 0.008 0.000 0.288 3244 I C -0.261 175.979 176.117 0.205 0.000 1.077 3244 I CA -0.272 61.112 61.300 0.139 0.000 1.051 3244 I CB 2.382 40.360 38.000 -0.037 0.000 1.234 3244 I HN 0.499 nan 8.210 nan 0.000 0.425 3245 S N 4.618 120.384 115.700 0.111 0.000 2.501 3245 S HA 0.506 4.981 4.470 0.008 0.000 0.301 3245 S C -0.735 173.916 174.600 0.084 0.000 1.096 3245 S CA -0.669 57.580 58.200 0.082 0.000 1.063 3245 S CB 1.669 64.878 63.200 0.016 0.000 1.042 3245 S HN 0.499 nan 8.310 nan 0.000 0.494 3246 E N 1.352 121.639 120.200 0.144 0.000 2.220 3246 E HA 0.366 4.721 4.350 0.008 0.000 0.256 3246 E C -0.861 175.833 176.600 0.155 0.000 0.881 3246 E CA -0.608 55.924 56.400 0.220 0.000 0.766 3246 E CB 1.532 31.447 29.700 0.359 0.000 1.187 3246 E HN 0.617 nan 8.360 nan 0.000 0.419 3247 S N 1.655 117.441 115.700 0.144 0.000 3.572 3247 S HA -0.124 4.350 4.470 0.008 0.000 0.394 3247 S C 0.074 174.994 174.600 0.534 0.000 0.923 3247 S CA 0.599 58.948 58.200 0.249 0.000 1.291 3247 S CB -1.107 62.107 63.200 0.024 0.000 0.914 3247 S HN 0.988 nan 8.310 nan 0.000 0.545 3248 G N -1.119 107.900 108.800 0.365 0.000 2.238 3248 G HA2 0.520 4.485 3.960 0.008 0.000 0.276 3248 G HA3 0.520 4.485 3.960 0.008 0.000 0.276 3248 G C -0.821 174.111 174.900 0.053 0.000 1.744 3248 G CA 0.212 45.442 45.100 0.216 0.000 0.912 3248 G HN 1.662 nan 8.290 nan 0.000 0.744 3249 V N -1.000 118.899 119.914 -0.026 0.000 3.181 3249 V HA 0.934 5.059 4.120 0.008 0.000 0.307 3249 V C 1.268 177.322 176.094 -0.067 0.000 1.310 3249 V CA 0.130 62.409 62.300 -0.035 0.000 1.067 3249 V CB 1.113 32.906 31.823 -0.050 0.000 1.081 3249 V HN 2.331 nan 8.190 nan 0.000 0.453 3250 A N -0.360 122.428 122.820 -0.053 0.000 2.067 3250 A HA 0.186 4.511 4.320 0.008 0.000 0.219 3250 A C 1.600 179.128 177.584 -0.094 0.000 1.158 3250 A CA 1.676 53.668 52.037 -0.075 0.000 0.661 3250 A CB -0.729 18.233 19.000 -0.063 0.000 0.801 3250 A HN 0.870 nan 8.150 nan 0.000 0.452 3251 L N 0.126 121.289 121.223 -0.100 0.000 2.629 3251 L HA 0.047 4.392 4.340 0.008 0.000 0.230 3251 L C 0.216 176.975 176.870 -0.184 0.000 1.151 3251 L CA -0.012 54.751 54.840 -0.128 0.000 0.924 3251 L CB -0.060 41.937 42.059 -0.104 0.000 1.137 3251 L HN 0.096 nan 8.230 nan 0.000 0.457 3252 T N -0.288 114.142 114.554 -0.206 0.000 3.781 3252 T HA 0.038 4.393 4.350 0.008 0.000 0.286 3252 T C 1.492 176.029 174.700 -0.273 0.000 1.277 3252 T CA -0.001 61.918 62.100 -0.301 0.000 1.136 3252 T CB 0.393 69.044 68.868 -0.362 0.000 1.202 3252 T HN 0.225 nan 8.240 nan 0.000 0.884 3253 S N 1.799 117.339 115.700 -0.268 0.000 2.509 3253 S HA -0.214 4.261 4.470 0.008 0.000 0.285 3253 S C 2.169 176.638 174.600 -0.218 0.000 1.185 3253 S CA 1.716 59.766 58.200 -0.249 0.000 1.152 3253 S CB -0.587 62.436 63.200 -0.294 0.000 1.088 3253 S HN 0.590 nan 8.310 nan 0.000 0.446 3254 V N 1.073 120.847 119.914 -0.233 0.000 2.759 3254 V HA 0.012 4.137 4.120 0.008 0.000 0.256 3254 V C 1.599 177.604 176.094 -0.148 0.000 1.080 3254 V CA 1.361 63.553 62.300 -0.180 0.000 1.101 3254 V CB -0.362 31.358 31.823 -0.172 0.000 0.698 3254 V HN 0.486 nan 8.190 nan 0.000 0.477 3255 L N -0.683 120.445 121.223 -0.158 0.000 2.446 3255 L HA 0.162 4.507 4.340 0.008 0.000 0.219 3255 L C 0.478 177.279 176.870 -0.114 0.000 1.116 3255 L CA 0.165 54.922 54.840 -0.137 0.000 0.844 3255 L CB 0.354 42.342 42.059 -0.119 0.000 0.970 3255 L HN 0.098 nan 8.230 nan 0.000 0.457 3256 V N 0.559 120.407 119.914 -0.110 0.000 2.435 3256 V HA 0.226 4.351 4.120 0.008 0.000 0.290 3256 V C -0.211 175.832 176.094 -0.085 0.000 1.030 3256 V CA -0.755 61.495 62.300 -0.082 0.000 0.881 3256 V CB 1.713 33.483 31.823 -0.087 0.000 0.983 3256 V HN 0.120 nan 8.190 nan 0.000 0.445 3257 K N 4.593 124.954 120.400 -0.064 0.000 2.334 3257 K HA 0.514 4.839 4.320 0.008 0.000 0.265 3257 K C -0.677 175.889 176.600 -0.057 0.000 1.039 3257 K CA -0.499 55.751 56.287 -0.061 0.000 0.920 3257 K CB 1.459 33.927 32.500 -0.053 0.000 1.160 3257 K HN 0.523 nan 8.250 nan 0.000 0.451 3258 K N 1.497 121.860 120.400 -0.061 0.000 2.164 3258 K HA 0.609 4.934 4.320 0.008 0.000 0.258 3258 K C 0.128 176.703 176.600 -0.042 0.000 0.951 3258 K CA -0.485 55.770 56.287 -0.055 0.000 0.844 3258 K CB 1.843 34.304 32.500 -0.065 0.000 1.099 3258 K HN 0.777 nan 8.250 nan 0.000 0.435 3259 G N 1.791 110.569 108.800 -0.037 0.000 2.466 3259 G HA2 -0.211 3.754 3.960 0.008 0.000 0.316 3259 G HA3 -0.211 3.754 3.960 0.008 0.000 0.316 3259 G C -1.298 173.584 174.900 -0.029 0.000 1.270 3259 G CA -0.865 44.219 45.100 -0.027 0.000 0.982 3259 G HN 0.652 nan 8.290 nan 0.000 0.506 3260 D N 0.560 120.946 120.400 -0.022 0.000 2.356 3260 D HA 0.261 4.906 4.640 0.008 0.000 0.272 3260 D C 1.863 178.141 176.300 -0.036 0.000 1.337 3260 D CA 0.729 54.713 54.000 -0.026 0.000 0.970 3260 D CB 0.923 41.713 40.800 -0.017 0.000 1.092 3260 D HN 1.306 nan 8.370 nan 0.000 0.516 3261 V N 2.473 122.354 119.914 -0.055 0.000 3.235 3261 V HA 0.022 4.147 4.120 0.008 0.000 0.259 3261 V C 2.132 178.170 176.094 -0.092 0.000 1.133 3261 V CA 0.668 62.922 62.300 -0.077 0.000 1.128 3261 V CB -0.305 31.453 31.823 -0.108 0.000 0.757 3261 V HN 0.251 nan 8.190 nan 0.000 0.469 3262 K N 2.014 122.369 120.400 -0.076 0.000 2.034 3262 K HA -0.116 4.209 4.320 0.008 0.000 0.214 3262 K C -0.043 176.525 176.600 -0.054 0.000 1.051 3262 K CA 2.725 58.969 56.287 -0.070 0.000 0.931 3262 K CB -1.771 30.705 32.500 -0.039 0.000 0.715 3262 K HN 0.458 nan 8.250 nan 0.000 0.446 3263 P HA -0.214 nan 4.420 nan 0.000 0.216 3263 P C 1.427 178.719 177.300 -0.014 0.000 1.157 3263 P CA 1.228 64.318 63.100 -0.018 0.000 0.880 3263 P CB -0.020 31.673 31.700 -0.012 0.000 0.791 3264 L N -1.038 120.172 121.223 -0.023 0.000 1.994 3264 L HA -0.215 4.130 4.340 0.008 0.000 0.208 3264 L C 2.248 179.118 176.870 0.000 0.000 1.071 3264 L CA 2.031 56.870 54.840 -0.002 0.000 0.745 3264 L CB -1.031 41.024 42.059 -0.007 0.000 0.892 3264 L HN -0.034 nan 8.230 nan 0.000 0.431 3265 A N -0.085 122.682 122.820 -0.088 0.000 1.917 3265 A HA -0.291 4.034 4.320 0.008 0.000 0.219 3265 A C 1.967 179.599 177.584 0.079 0.000 1.182 3265 A CA 2.166 54.142 52.037 -0.102 0.000 0.633 3265 A CB -0.601 18.205 19.000 -0.325 0.000 0.819 3265 A HN 0.633 nan 8.150 nan 0.000 0.448 3266 E N -0.984 119.237 120.200 0.035 0.000 2.106 3266 E HA -0.216 4.139 4.350 0.008 0.000 0.192 3266 E C 2.255 178.888 176.600 0.055 0.000 0.984 3266 E CA 1.036 57.466 56.400 0.050 0.000 0.806 3266 E CB -0.188 29.526 29.700 0.023 0.000 0.750 3266 E HN 0.776 nan 8.360 nan 0.000 0.458 3267 Q N 0.699 120.528 119.800 0.048 0.000 2.084 3267 Q HA -0.186 4.159 4.340 0.008 0.000 0.202 3267 Q C 2.219 178.260 176.000 0.068 0.000 0.978 3267 Q CA 1.164 56.992 55.803 0.042 0.000 0.844 3267 Q CB 0.015 28.773 28.738 0.033 0.000 0.898 3267 Q HN 0.326 nan 8.270 nan 0.000 0.426 3268 I N 0.202 120.846 120.570 0.124 0.000 2.113 3268 I HA -0.282 3.892 4.170 0.008 0.000 0.238 3268 I C 2.476 178.664 176.117 0.117 0.000 1.070 3268 I CA 0.986 62.388 61.300 0.169 0.000 1.332 3268 I CB -0.539 37.644 38.000 0.305 0.000 1.044 3268 I HN 0.229 nan 8.210 nan 0.000 0.402 3269 A N 1.249 124.150 122.820 0.135 0.000 1.859 3269 A HA -0.241 4.084 4.320 0.008 0.000 0.217 3269 A C 2.322 179.928 177.584 0.036 0.000 1.198 3269 A CA 1.811 53.889 52.037 0.069 0.000 0.629 3269 A CB -1.089 17.964 19.000 0.088 0.000 0.830 3269 A HN 0.401 nan 8.150 nan 0.000 0.446 3270 I N -0.293 120.300 120.570 0.038 0.000 2.248 3270 I HA -0.274 3.901 4.170 0.008 0.000 0.248 3270 I C 2.440 178.566 176.117 0.015 0.000 1.107 3270 I CA 1.892 63.204 61.300 0.021 0.000 1.373 3270 I CB -0.505 37.505 38.000 0.017 0.000 1.055 3270 I HN 0.322 nan 8.210 nan 0.000 0.418 3271 T N 0.402 114.968 114.554 0.021 0.000 2.867 3271 T HA -0.031 4.324 4.350 0.008 0.000 0.268 3271 T C 1.632 176.339 174.700 0.010 0.000 1.057 3271 T CA 1.195 63.303 62.100 0.013 0.000 1.136 3271 T CB -0.141 68.737 68.868 0.018 0.000 0.874 3271 T HN 0.461 nan 8.240 nan 0.000 0.466 3272 A N 0.549 123.374 122.820 0.008 0.000 2.302 3272 A HA 0.535 4.860 4.320 0.008 0.000 0.219 3272 A C 1.693 179.269 177.584 -0.012 0.000 1.243 3272 A CA 0.446 52.477 52.037 -0.009 0.000 0.856 3272 A CB -0.941 18.039 19.000 -0.035 0.000 0.893 3272 A HN 0.639 nan 8.150 nan 0.000 0.491 3273 G N -1.336 107.461 108.800 -0.004 0.000 2.221 3273 G HA2 -0.273 3.692 3.960 0.008 0.000 0.265 3273 G HA3 -0.273 3.692 3.960 0.008 0.000 0.265 3273 G C 0.252 175.148 174.900 -0.008 0.000 1.041 3273 G CA 0.294 45.391 45.100 -0.005 0.000 0.807 3273 G HN 0.578 nan 8.290 nan 0.000 0.502 3274 c N -0.610 117.986 118.600 -0.006 0.000 2.354 3274 c HA 0.783 5.358 4.570 0.008 0.000 0.381 3274 c C 0.939 175.032 174.090 0.005 0.000 1.240 3274 c CA -0.760 55.565 56.329 -0.006 0.000 2.089 3274 c CB 1.578 44.080 42.510 -0.014 0.000 2.234 3274 c HN 0.527 nan 8.230 nan 0.000 0.544 3275 K N 0.237 120.643 120.400 0.009 0.000 2.123 3275 K HA 0.444 4.769 4.320 0.008 0.000 0.248 3275 K C 0.306 176.916 176.600 0.016 0.000 0.969 3275 K CA 0.038 56.332 56.287 0.012 0.000 0.882 3275 K CB 1.326 33.833 32.500 0.012 0.000 1.080 3275 K HN 0.860 nan 8.250 nan 0.000 0.441 3276 T N -2.555 112.007 114.554 0.014 0.000 3.182 3276 T HA 0.046 4.401 4.350 0.008 0.000 0.277 3276 T C 1.132 175.836 174.700 0.007 0.000 1.013 3276 T CA -0.277 61.833 62.100 0.017 0.000 0.900 3276 T CB 0.122 69.001 68.868 0.018 0.000 1.098 3276 T HN 0.451 nan 8.240 nan 0.000 0.543 3277 T N 3.117 117.672 114.554 0.003 0.000 2.685 3277 T HA -0.067 4.288 4.350 0.008 0.000 0.268 3277 T C 1.105 175.797 174.700 -0.013 0.000 1.034 3277 T CA 1.999 64.097 62.100 -0.004 0.000 1.149 3277 T CB -0.447 68.418 68.868 -0.006 0.000 0.860 3277 T HN 0.863 nan 8.240 nan 0.000 0.449 3278 T N -2.727 111.814 114.554 -0.021 0.000 2.853 3278 T HA 0.534 4.889 4.350 0.008 0.000 0.311 3278 T C 0.855 175.523 174.700 -0.054 0.000 1.307 3278 T CA -0.143 61.930 62.100 -0.044 0.000 1.019 3278 T CB 1.718 70.540 68.868 -0.076 0.000 1.264 3278 T HN -0.175 nan 8.240 nan 0.000 0.497 3279 S N 0.676 116.333 115.700 -0.072 0.000 2.359 3279 S HA -0.172 4.303 4.470 0.008 0.000 0.222 3279 S C 2.437 176.976 174.600 -0.102 0.000 1.038 3279 S CA 2.268 60.439 58.200 -0.049 0.000 1.051 3279 S CB -1.159 62.046 63.200 0.008 0.000 0.944 3279 S HN 1.093 nan 8.310 nan 0.000 0.433 3280 A N 0.469 123.069 122.820 -0.366 0.000 1.940 3280 A HA -0.037 4.288 4.320 0.008 0.000 0.219 3280 A C 2.365 179.906 177.584 -0.070 0.000 1.176 3280 A CA 1.830 53.686 52.037 -0.301 0.000 0.631 3280 A CB -1.006 17.685 19.000 -0.515 0.000 0.814 3280 A HN 0.468 nan 8.150 nan 0.000 0.446 3281 V N -0.215 119.661 119.914 -0.064 0.000 2.343 3281 V HA -0.313 3.812 4.120 0.008 0.000 0.247 3281 V C 2.629 178.752 176.094 0.049 0.000 1.051 3281 V CA 2.227 64.535 62.300 0.015 0.000 1.036 3281 V CB -0.602 31.219 31.823 -0.004 0.000 0.654 3281 V HN 0.594 nan 8.190 nan 0.000 0.451 3282 M N -0.803 118.815 119.600 0.030 0.000 2.080 3282 M HA -0.179 4.306 4.480 0.008 0.000 0.260 3282 M C 2.192 178.487 176.300 -0.008 0.000 1.068 3282 M CA 1.796 57.119 55.300 0.038 0.000 1.109 3282 M CB -0.516 32.144 32.600 0.099 0.000 1.342 3282 M HN 0.250 nan 8.290 nan 0.000 0.405 3283 V N -0.549 119.376 119.914 0.019 0.000 2.332 3283 V HA -0.307 3.818 4.120 0.008 0.000 0.248 3283 V C 2.255 178.352 176.094 0.004 0.000 1.055 3283 V CA 2.408 64.677 62.300 -0.052 0.000 1.038 3283 V CB -1.140 30.721 31.823 0.064 0.000 0.651 3283 V HN 0.494 nan 8.190 nan 0.000 0.450 3284 H N -0.253 118.804 119.070 -0.022 0.000 2.290 3284 H HA -0.233 4.317 4.556 -0.011 0.000 0.298 3284 H C 2.426 177.744 175.328 -0.017 0.000 1.087 3284 H CA 2.386 58.429 56.048 -0.007 0.000 1.291 3284 H CB -0.818 28.937 29.762 -0.011 0.000 1.369 3284 H HN 0.457 nan 8.280 nan 0.000 0.492 3285 c N 0.134 118.669 118.600 -0.109 0.000 2.401 3285 c HA -0.121 4.454 4.570 0.008 0.000 0.276 3285 c C 2.821 176.817 174.090 -0.156 0.000 1.233 3285 c CA 1.269 57.504 56.329 -0.156 0.000 1.753 3285 c CB -1.522 40.955 42.510 -0.055 0.000 2.029 3285 c HN 0.666 nan 8.230 nan 0.000 0.478 3286 L N 0.038 121.177 121.223 -0.141 0.000 2.217 3286 L HA -0.014 4.331 4.340 0.008 0.000 0.211 3286 L C 2.919 179.775 176.870 -0.023 0.000 1.107 3286 L CA 1.064 55.826 54.840 -0.130 0.000 0.783 3286 L CB -0.597 41.275 42.059 -0.311 0.000 0.919 3286 L HN 0.338 nan 8.230 nan 0.000 0.442 3287 R N -0.440 120.051 120.500 -0.015 0.000 2.307 3287 R HA -0.058 4.287 4.340 0.008 0.000 0.199 3287 R C 1.579 177.821 176.300 -0.096 0.000 1.000 3287 R CA 0.493 56.588 56.100 -0.009 0.000 1.023 3287 R CB 0.139 30.454 30.300 0.025 0.000 0.908 3287 R HN 0.431 nan 8.270 nan 0.000 0.473 3288 Q N 0.222 119.934 119.800 -0.147 0.000 2.384 3288 Q HA 0.079 4.424 4.340 0.008 0.000 0.207 3288 Q C -0.036 175.913 176.000 -0.086 0.000 0.904 3288 Q CA 0.427 56.147 55.803 -0.138 0.000 0.933 3288 Q CB 0.569 29.184 28.738 -0.206 0.000 1.077 3288 Q HN 0.042 nan 8.270 nan 0.000 0.522 3289 K N 2.197 122.551 120.400 -0.077 0.000 2.237 3289 K HA 0.150 4.475 4.320 0.008 0.000 0.270 3289 K C 0.709 177.297 176.600 -0.019 0.000 1.015 3289 K CA -0.025 56.233 56.287 -0.048 0.000 0.949 3289 K CB 0.395 32.860 32.500 -0.058 0.000 0.976 3289 K HN 0.099 nan 8.250 nan 0.000 0.472 3290 T N -2.331 112.228 114.554 0.007 0.000 2.726 3290 T HA 0.013 4.368 4.350 0.008 0.000 0.294 3290 T C 1.329 176.090 174.700 0.102 0.000 1.013 3290 T CA -0.429 61.694 62.100 0.038 0.000 0.996 3290 T CB 0.937 69.825 68.868 0.034 0.000 1.016 3290 T HN 0.634 nan 8.240 nan 0.000 0.529 3291 E N 0.162 120.445 120.200 0.137 0.000 2.023 3291 E HA -0.252 4.103 4.350 0.008 0.000 0.196 3291 E C 1.999 178.763 176.600 0.272 0.000 1.003 3291 E CA 1.549 58.108 56.400 0.264 0.000 0.809 3291 E CB -0.179 29.593 29.700 0.120 0.000 0.755 3291 E HN 0.870 nan 8.360 nan 0.000 0.449 3292 E N 0.059 120.344 120.200 0.142 0.000 2.204 3292 E HA -0.216 4.139 4.350 0.008 0.000 0.195 3292 E C 1.890 178.561 176.600 0.119 0.000 0.990 3292 E CA 0.931 57.403 56.400 0.121 0.000 0.821 3292 E CB 0.076 29.815 29.700 0.065 0.000 0.750 3292 E HN 0.350 nan 8.360 nan 0.000 0.477 3293 E N 0.070 120.327 120.200 0.094 0.000 2.110 3293 E HA -0.178 4.177 4.350 0.008 0.000 0.193 3293 E C 2.162 178.799 176.600 0.062 0.000 0.988 3293 E CA 0.900 57.335 56.400 0.058 0.000 0.804 3293 E CB 0.032 29.747 29.700 0.026 0.000 0.745 3293 E HN 0.320 nan 8.360 nan 0.000 0.458 3294 L N 0.382 121.656 121.223 0.085 0.000 2.179 3294 L HA -0.119 4.226 4.340 0.008 0.000 0.208 3294 L C 2.405 179.368 176.870 0.154 0.000 1.096 3294 L CA 0.123 54.956 54.840 -0.011 0.000 0.779 3294 L CB -0.177 41.699 42.059 -0.305 0.000 0.922 3294 L HN 0.172 nan 8.230 nan 0.000 0.443 3295 L N 0.063 121.500 121.223 0.357 0.000 2.093 3295 L HA -0.166 4.179 4.340 0.008 0.000 0.208 3295 L C 2.271 179.265 176.870 0.207 0.000 1.085 3295 L CA 1.726 56.788 54.840 0.371 0.000 0.755 3295 L CB -0.403 41.819 42.059 0.272 0.000 0.904 3295 L HN 0.115 nan 8.230 nan 0.000 0.435 3296 E N -1.006 119.277 120.200 0.139 0.000 2.150 3296 E HA -0.145 4.210 4.350 0.008 0.000 0.193 3296 E C 2.011 178.661 176.600 0.084 0.000 0.985 3296 E CA 1.593 58.047 56.400 0.090 0.000 0.814 3296 E CB -0.153 29.584 29.700 0.061 0.000 0.752 3296 E HN 0.526 nan 8.360 nan 0.000 0.466 3297 T N -0.673 113.935 114.554 0.090 0.000 2.701 3297 T HA -0.111 4.244 4.350 0.008 0.000 0.263 3297 T C 1.847 176.634 174.700 0.144 0.000 1.040 3297 T CA 1.650 63.799 62.100 0.082 0.000 1.147 3297 T CB -0.567 68.334 68.868 0.055 0.000 0.865 3297 T HN 0.185 nan 8.240 nan 0.000 0.426 3298 T N 2.219 116.914 114.554 0.234 0.000 2.737 3298 T HA -0.062 4.293 4.350 0.008 0.000 0.269 3298 T C 1.873 176.739 174.700 0.277 0.000 1.040 3298 T CA 0.887 63.233 62.100 0.409 0.000 1.142 3298 T CB -0.417 68.705 68.868 0.424 0.000 0.861 3298 T HN 0.085 nan 8.240 nan 0.000 0.456 3299 L N 0.648 121.969 121.223 0.163 0.000 1.993 3299 L HA -0.012 4.333 4.340 0.008 0.000 0.206 3299 L C 2.483 179.359 176.870 0.009 0.000 1.074 3299 L CA 1.659 56.551 54.840 0.088 0.000 0.746 3299 L CB -0.290 41.814 42.059 0.074 0.000 0.896 3299 L HN 0.087 nan 8.230 nan 0.000 0.435 3300 K N -0.976 119.425 120.400 0.002 0.000 2.173 3300 K HA -0.230 4.095 4.320 0.008 0.000 0.207 3300 K C 1.977 178.514 176.600 -0.106 0.000 1.046 3300 K CA 1.408 57.673 56.287 -0.036 0.000 0.929 3300 K CB -0.308 32.180 32.500 -0.019 0.000 0.720 3300 K HN 0.296 nan 8.250 nan 0.000 0.453 3301 M N 0.718 120.213 119.600 -0.176 0.000 2.229 3301 M HA -0.074 4.411 4.480 0.008 0.000 0.264 3301 M C 0.299 176.304 176.300 -0.493 0.000 1.063 3301 M CA 1.233 56.285 55.300 -0.412 0.000 1.114 3301 M CB -0.580 31.572 32.600 -0.746 0.000 1.387 3301 M HN 0.116 nan 8.290 nan 0.000 0.420 3302 K N 0.209 120.405 120.400 -0.341 0.000 3.239 3302 K HA -0.164 4.161 4.320 0.008 0.000 0.270 3302 K C -0.567 175.905 176.600 -0.213 0.000 1.083 3302 K CA 0.004 56.170 56.287 -0.201 0.000 0.782 3302 K CB -2.170 30.247 32.500 -0.139 0.000 1.290 3302 K HN 0.146 nan 8.250 nan 0.000 0.474 3303 F N 0.536 120.506 119.950 0.033 0.000 2.472 3303 F HA 0.117 4.649 4.527 0.008 0.000 0.312 3303 F C 2.147 177.963 175.800 0.027 0.000 1.256 3303 F CA 0.175 58.194 58.000 0.032 0.000 1.275 3303 F CB 0.282 39.310 39.000 0.047 0.000 1.228 3303 F HN 0.139 nan 8.300 nan 0.000 0.567 3304 L N 0.644 122.013 121.223 0.244 0.000 3.737 3304 L HA -0.295 4.050 4.340 0.008 0.000 0.418 3304 L C -0.579 176.346 176.870 0.091 0.000 1.216 3304 L CA 0.172 55.095 54.840 0.138 0.000 0.915 3304 L CB -2.222 39.908 42.059 0.119 0.000 1.834 3304 L HN 0.616 nan 8.230 nan 0.000 0.943 3305 S N -0.638 115.108 115.700 0.078 0.000 2.588 3305 S HA 0.689 5.164 4.470 0.008 0.000 0.269 3305 S C -0.928 173.695 174.600 0.038 0.000 1.157 3305 S CA -0.772 57.457 58.200 0.048 0.000 0.824 3305 S CB 2.624 65.833 63.200 0.015 0.000 1.126 3305 S HN 0.132 nan 8.310 nan 0.000 0.464 3306 L N 2.733 123.969 121.223 0.022 0.000 2.272 3306 L HA 0.477 4.822 4.340 0.008 0.000 0.289 3306 L C -0.701 176.140 176.870 -0.047 0.000 1.032 3306 L CA -0.283 54.552 54.840 -0.009 0.000 0.810 3306 L CB 0.939 42.973 42.059 -0.042 0.000 1.205 3306 L HN 0.597 nan 8.230 nan 0.000 0.422 3307 D N 4.275 124.644 120.400 -0.052 0.000 2.352 3307 D HA 0.114 4.759 4.640 0.008 0.000 0.245 3307 D C 0.979 177.237 176.300 -0.071 0.000 1.224 3307 D CA 0.036 53.999 54.000 -0.062 0.000 0.879 3307 D CB 0.759 41.520 40.800 -0.066 0.000 1.057 3307 D HN 0.525 nan 8.370 nan 0.000 0.491 3308 L N 2.218 123.402 121.223 -0.064 0.000 2.478 3308 L HA -0.007 4.338 4.340 0.008 0.000 0.223 3308 L C 0.483 177.329 176.870 -0.040 0.000 1.140 3308 L CA 0.461 55.266 54.840 -0.058 0.000 0.842 3308 L CB -0.313 41.713 42.059 -0.054 0.000 0.953 3308 L HN 0.254 nan 8.230 nan 0.000 0.452 3309 Q N 0.182 119.958 119.800 -0.040 0.000 2.293 3309 Q HA 0.680 5.025 4.340 0.008 0.000 0.261 3309 Q C 0.354 176.333 176.000 -0.035 0.000 0.960 3309 Q CA 0.163 55.948 55.803 -0.029 0.000 0.882 3309 Q CB 1.924 30.646 28.738 -0.026 0.000 1.275 3309 Q HN 0.190 nan 8.270 nan 0.000 0.445 3310 G N 1.498 110.285 108.800 -0.022 0.000 2.512 3310 G HA2 -0.184 3.781 3.960 0.008 0.000 0.210 3310 G HA3 -0.184 3.781 3.960 0.008 0.000 0.210 3310 G C -1.479 173.401 174.900 -0.034 0.000 1.295 3310 G CA -0.526 44.559 45.100 -0.025 0.000 0.934 3310 G HN 0.726 nan 8.290 nan 0.000 0.554 3311 D N 0.827 121.196 120.400 -0.051 0.000 2.249 3311 D HA 0.492 5.137 4.640 0.008 0.000 0.246 3311 D C -1.142 175.038 176.300 -0.200 0.000 1.114 3311 D CA -1.660 52.289 54.000 -0.085 0.000 0.854 3311 D CB 1.732 42.502 40.800 -0.050 0.000 1.132 3311 D HN -0.011 nan 8.370 nan 0.000 0.461 3312 P HA -0.039 nan 4.420 nan 0.000 0.221 3312 P C 0.892 177.974 177.300 -0.363 0.000 1.145 3312 P CA 0.902 63.719 63.100 -0.473 0.000 0.795 3312 P CB 0.295 31.431 31.700 -0.940 0.000 0.775 3313 R N -0.638 119.568 120.500 -0.490 0.000 2.275 3313 R HA 0.056 4.401 4.340 0.008 0.000 0.199 3313 R C 1.511 177.751 176.300 -0.099 0.000 0.989 3313 R CA 0.644 56.535 56.100 -0.348 0.000 1.016 3313 R CB -0.128 29.874 30.300 -0.497 0.000 0.918 3313 R HN 0.322 nan 8.270 nan 0.000 0.473 3314 E N 0.365 120.504 120.200 -0.103 0.000 2.481 3314 E HA 0.016 4.371 4.350 0.008 0.000 0.198 3314 E C -0.345 176.233 176.600 -0.037 0.000 1.027 3314 E CA -0.062 56.307 56.400 -0.051 0.000 0.900 3314 E CB 0.808 30.478 29.700 -0.050 0.000 0.993 3314 E HN 0.112 nan 8.360 nan 0.000 0.482 3315 S N 0.932 116.606 115.700 -0.043 0.000 2.422 3315 S HA 0.295 4.770 4.470 0.008 0.000 0.298 3315 S C -0.191 174.413 174.600 0.007 0.000 1.118 3315 S CA -0.831 57.350 58.200 -0.032 0.000 1.083 3315 S CB 1.521 64.690 63.200 -0.052 0.000 0.971 3315 S HN -0.073 nan 8.310 nan 0.000 0.478 3316 Q N 4.230 124.046 119.800 0.028 0.000 2.509 3316 Q HA 0.375 4.720 4.340 0.008 0.000 0.236 3316 Q C -1.642 174.448 176.000 0.151 0.000 1.073 3316 Q CA -2.269 53.583 55.803 0.081 0.000 0.867 3316 Q CB 1.181 29.981 28.738 0.104 0.000 1.181 3316 Q HN 0.544 nan 8.270 nan 0.000 0.526 3317 P HA -0.073 nan 4.420 nan 0.000 0.226 3317 P C -0.493 176.984 177.300 0.295 0.000 1.153 3317 P CA 0.727 63.931 63.100 0.173 0.000 0.777 3317 P CB 0.688 32.442 31.700 0.090 0.000 0.794 3318 L N -0.793 120.551 121.223 0.201 0.000 2.434 3318 L HA 0.401 4.746 4.340 0.008 0.000 0.260 3318 L C -0.752 176.088 176.870 -0.050 0.000 0.983 3318 L CA -1.223 53.645 54.840 0.048 0.000 0.820 3318 L CB 2.623 44.659 42.059 -0.038 0.000 1.361 3318 L HN -0.296 nan 8.230 nan 0.000 0.410 3319 L N 1.711 122.791 121.223 -0.239 0.000 2.264 3319 L HA 0.625 4.970 4.340 0.008 0.000 0.287 3319 L C 0.406 177.092 176.870 -0.306 0.000 1.039 3319 L CA 0.325 55.041 54.840 -0.207 0.000 0.829 3319 L CB 1.075 42.988 42.059 -0.244 0.000 1.211 3319 L HN 0.667 nan 8.230 nan 0.000 0.427 3320 G N 1.790 110.457 108.800 -0.223 0.000 3.008 3320 G HA2 0.418 4.383 3.960 0.008 0.000 0.181 3320 G HA3 0.418 4.383 3.960 0.008 0.000 0.181 3320 G C -0.570 174.292 174.900 -0.063 0.000 1.309 3320 G CA -0.402 44.511 45.100 -0.312 0.000 1.009 3320 G HN 0.336 nan 8.290 nan 0.000 0.584 3321 T N 0.171 114.742 114.554 0.029 0.000 2.918 3321 T HA 0.453 4.808 4.350 0.008 0.000 0.302 3321 T C 0.236 174.972 174.700 0.061 0.000 1.045 3321 T CA 0.179 62.396 62.100 0.195 0.000 1.114 3321 T CB 1.173 70.184 68.868 0.239 0.000 0.965 3321 T HN 1.087 nan 8.240 nan 0.000 0.540 3322 V N -0.254 119.682 119.914 0.038 0.000 3.078 3322 V HA 0.562 4.687 4.120 0.008 0.000 0.311 3322 V C -0.540 175.530 176.094 -0.039 0.000 1.138 3322 V CA -1.348 60.935 62.300 -0.028 0.000 1.007 3322 V CB 1.766 33.548 31.823 -0.068 0.000 1.045 3322 V HN 0.632 nan 8.190 nan 0.000 0.432 3323 I N 4.124 124.665 120.570 -0.048 0.000 2.352 3323 I HA 0.128 4.303 4.170 0.008 0.000 0.303 3323 I C 1.536 177.619 176.117 -0.057 0.000 1.194 3323 I CA 0.378 61.649 61.300 -0.047 0.000 1.518 3323 I CB -0.850 37.125 38.000 -0.042 0.000 1.489 3323 I HN 1.002 nan 8.210 nan 0.000 0.702 3324 D N 3.934 124.293 120.400 -0.069 0.000 2.224 3324 D HA -0.108 4.537 4.640 0.008 0.000 0.205 3324 D C 1.354 177.620 176.300 -0.056 0.000 0.965 3324 D CA 1.214 55.161 54.000 -0.087 0.000 0.852 3324 D CB 0.594 41.311 40.800 -0.137 0.000 0.947 3324 D HN 0.629 nan 8.370 nan 0.000 0.494 3325 G N 0.229 109.004 108.800 -0.041 0.000 2.213 3325 G HA2 -0.237 3.728 3.960 0.008 0.000 0.226 3325 G HA3 -0.237 3.728 3.960 0.008 0.000 0.226 3325 G C 1.032 175.922 174.900 -0.016 0.000 0.992 3325 G CA 0.486 45.571 45.100 -0.025 0.000 0.632 3325 G HN 0.245 nan 8.290 nan 0.000 0.511 3326 M N -1.062 118.527 119.600 -0.018 0.000 2.999 3326 M HA 0.463 4.948 4.480 0.008 0.000 0.246 3326 M C 2.223 178.520 176.300 -0.004 0.000 1.478 3326 M CA 1.050 56.349 55.300 -0.002 0.000 1.243 3326 M CB -1.213 31.394 32.600 0.010 0.000 1.213 3326 M HN 0.249 nan 8.290 nan 0.000 0.564 3327 L N 0.972 122.185 121.223 -0.018 0.000 2.034 3327 L HA 0.162 4.507 4.340 0.008 0.000 0.203 3327 L C 0.382 177.233 176.870 -0.032 0.000 1.074 3327 L CA 1.512 56.340 54.840 -0.021 0.000 0.748 3327 L CB -0.038 42.005 42.059 -0.027 0.000 0.905 3327 L HN 0.117 nan 8.230 nan 0.000 0.439 3328 L N 0.325 121.525 121.223 -0.038 0.000 2.313 3328 L HA 0.250 4.595 4.340 0.008 0.000 0.283 3328 L C 0.476 177.328 176.870 -0.029 0.000 1.013 3328 L CA -0.357 54.459 54.840 -0.039 0.000 0.816 3328 L CB 1.682 43.713 42.059 -0.048 0.000 1.236 3328 L HN 0.159 nan 8.230 nan 0.000 0.419 3329 L N 2.877 124.087 121.223 -0.022 0.000 2.509 3329 L HA 0.157 4.502 4.340 0.008 0.000 0.222 3329 L C 0.372 177.230 176.870 -0.019 0.000 1.123 3329 L CA 0.579 55.409 54.840 -0.016 0.000 0.856 3329 L CB -0.375 41.680 42.059 -0.008 0.000 0.985 3329 L HN 0.665 nan 8.230 nan 0.000 0.456 3330 K N -1.747 118.639 120.400 -0.023 0.000 2.755 3330 K HA 0.264 4.589 4.320 0.008 0.000 0.294 3330 K C -0.647 175.934 176.600 -0.032 0.000 1.060 3330 K CA -0.798 55.474 56.287 -0.025 0.000 0.845 3330 K CB 0.332 32.820 32.500 -0.020 0.000 1.539 3330 K HN -0.158 nan 8.250 nan 0.000 0.379 3331 T N -1.253 113.280 114.554 -0.035 0.000 2.934 3331 T HA 0.068 4.423 4.350 0.008 0.000 0.306 3331 T C -1.917 172.758 174.700 -0.042 0.000 1.042 3331 T CA -0.771 61.303 62.100 -0.043 0.000 1.145 3331 T CB 0.210 69.049 68.868 -0.048 0.000 0.982 3331 T HN 0.251 nan 8.240 nan 0.000 0.544 3332 P HA -0.159 nan 4.420 nan 0.000 0.217 3332 P C 1.272 178.552 177.300 -0.034 0.000 1.148 3332 P CA 1.152 64.226 63.100 -0.044 0.000 0.834 3332 P CB 0.062 31.728 31.700 -0.057 0.000 0.783 3333 E N -0.264 119.911 120.200 -0.041 0.000 2.077 3333 E HA -0.186 4.169 4.350 0.008 0.000 0.193 3333 E C 1.894 178.481 176.600 -0.022 0.000 0.989 3333 E CA 1.274 57.654 56.400 -0.034 0.000 0.800 3333 E CB -0.793 28.879 29.700 -0.047 0.000 0.746 3333 E HN 0.470 nan 8.360 nan 0.000 0.452 3334 E N 0.220 120.407 120.200 -0.023 0.000 2.107 3334 E HA -0.066 4.289 4.350 0.008 0.000 0.191 3334 E C 2.015 178.608 176.600 -0.012 0.000 0.982 3334 E CA 0.589 56.979 56.400 -0.016 0.000 0.809 3334 E CB -0.132 29.558 29.700 -0.017 0.000 0.756 3334 E HN 0.214 nan 8.360 nan 0.000 0.459 3335 L N 1.160 122.375 121.223 -0.013 0.000 2.275 3335 L HA -0.188 4.157 4.340 0.008 0.000 0.215 3335 L C 2.399 179.268 176.870 -0.001 0.000 1.119 3335 L CA 0.937 55.772 54.840 -0.008 0.000 0.790 3335 L CB -0.310 41.742 42.059 -0.012 0.000 0.919 3335 L HN 0.186 nan 8.230 nan 0.000 0.443 3336 Q N -0.222 119.579 119.800 0.002 0.000 2.089 3336 Q HA -0.046 4.299 4.340 0.008 0.000 0.195 3336 Q C 2.510 178.514 176.000 0.006 0.000 0.963 3336 Q CA 1.227 57.040 55.803 0.016 0.000 0.834 3336 Q CB -0.188 28.565 28.738 0.026 0.000 0.906 3336 Q HN 0.498 nan 8.270 nan 0.000 0.452 3337 A N 1.510 124.330 122.820 -0.000 0.000 2.019 3337 A HA -0.163 4.162 4.320 0.008 0.000 0.219 3337 A C 1.153 178.728 177.584 -0.015 0.000 1.164 3337 A CA 0.596 52.630 52.037 -0.006 0.000 0.644 3337 A CB -0.385 18.612 19.000 -0.006 0.000 0.805 3337 A HN 0.369 nan 8.150 nan 0.000 0.449 3338 E N 0.141 120.332 120.200 -0.014 0.000 2.404 3338 E HA 0.217 4.572 4.350 0.008 0.000 0.261 3338 E C 0.209 176.788 176.600 -0.036 0.000 1.074 3338 E CA -0.570 55.818 56.400 -0.019 0.000 0.917 3338 E CB 0.375 30.070 29.700 -0.009 0.000 0.965 3338 E HN 0.402 nan 8.360 nan 0.000 0.433 3339 R N 3.746 124.211 120.500 -0.060 0.000 2.561 3339 R HA 0.331 4.676 4.340 0.008 0.000 0.297 3339 R C -1.366 174.845 176.300 -0.149 0.000 0.969 3339 R CA -0.578 55.452 56.100 -0.116 0.000 0.879 3339 R CB 1.030 31.231 30.300 -0.164 0.000 1.178 3339 R HN 0.558 nan 8.270 nan 0.000 0.445 3340 N N 3.010 121.620 118.700 -0.150 0.000 2.362 3340 N HA 0.313 5.058 4.740 0.008 0.000 0.299 3340 N C 0.116 175.505 175.510 -0.202 0.000 1.170 3340 N CA -0.445 52.551 53.050 -0.089 0.000 0.825 3340 N CB 1.211 39.709 38.487 0.019 0.000 1.299 3340 N HN 0.460 nan 8.380 nan 0.000 0.502 3341 F N -0.292 119.674 119.950 0.027 0.000 2.416 3341 F HA 0.030 4.562 4.527 0.008 0.000 0.296 3341 F C 1.125 176.976 175.800 0.084 0.000 1.099 3341 F CA 0.414 58.435 58.000 0.035 0.000 1.427 3341 F CB -0.062 38.952 39.000 0.022 0.000 1.079 3341 F HN 0.458 nan 8.300 nan 0.000 0.536 3342 H N 1.024 120.162 119.070 0.113 0.000 2.761 3342 H HA 0.348 4.909 4.556 0.008 0.000 0.284 3342 H C -0.199 175.124 175.328 -0.009 0.000 1.105 3342 H CA -0.832 55.234 56.048 0.031 0.000 1.352 3342 H CB 0.137 29.895 29.762 -0.007 0.000 1.423 3342 H HN 0.052 nan 8.280 nan 0.000 0.464 3343 T N 2.194 116.655 114.554 -0.155 0.000 2.924 3343 T HA 0.690 5.045 4.350 0.008 0.000 0.291 3343 T C -0.271 174.297 174.700 -0.219 0.000 1.045 3343 T CA -0.489 61.507 62.100 -0.172 0.000 1.015 3343 T CB 1.454 70.259 68.868 -0.106 0.000 1.103 3343 T HN 0.463 nan 8.240 nan 0.000 0.496 3344 V N -2.618 117.254 119.914 -0.069 0.000 3.114 3344 V HA 0.791 4.916 4.120 0.008 0.000 0.308 3344 V C -3.330 172.882 176.094 0.197 0.000 1.168 3344 V CA -3.184 59.099 62.300 -0.029 0.000 1.015 3344 V CB 1.452 33.182 31.823 -0.154 0.000 1.050 3344 V HN 0.712 nan 8.190 nan 0.000 0.433 3345 P HA 0.220 nan 4.420 nan 0.000 0.265 3345 P C -1.520 176.058 177.300 0.462 0.000 1.193 3345 P CA 0.533 63.807 63.100 0.289 0.000 0.765 3345 P CB -0.058 31.596 31.700 -0.077 0.000 0.823 3346 Y N 3.164 123.669 120.300 0.342 0.000 2.386 3346 Y HA 0.506 5.061 4.550 0.009 0.000 0.334 3346 Y C -0.749 175.156 175.900 0.009 0.000 1.002 3346 Y CA -1.455 56.662 58.100 0.028 0.000 1.068 3346 Y CB 1.556 39.618 38.460 -0.663 0.000 1.203 3346 Y HN 0.215 nan 8.280 nan 0.000 0.443 3347 M N 7.735 127.298 119.600 -0.063 0.000 2.101 3347 M HA 0.554 5.039 4.480 0.008 0.000 0.340 3347 M C -2.211 173.785 176.300 -0.507 0.000 1.057 3347 M CA -0.670 54.348 55.300 -0.470 0.000 0.984 3347 M CB 0.883 32.885 32.600 -0.996 0.000 1.560 3347 M HN 0.420 nan 8.290 nan 0.000 0.435 3348 V N 4.986 124.568 119.914 -0.553 0.000 2.407 3348 V HA 0.832 4.957 4.120 0.008 0.000 0.291 3348 V C 0.251 175.995 176.094 -0.583 0.000 1.018 3348 V CA -0.505 61.443 62.300 -0.588 0.000 0.842 3348 V CB 1.365 32.770 31.823 -0.695 0.000 0.996 3348 V HN 1.006 nan 8.190 nan 0.000 0.426 3349 G N 4.300 112.670 108.800 -0.716 0.000 2.730 3349 G HA2 0.927 4.892 3.960 0.008 0.000 0.289 3349 G HA3 0.927 4.892 3.960 0.008 0.000 0.289 3349 G C -1.191 173.356 174.900 -0.589 0.000 1.341 3349 G CA -0.713 43.613 45.100 -1.291 0.000 0.932 3349 G HN 0.934 nan 8.290 nan 0.000 0.481 3350 I N -2.605 117.743 120.570 -0.371 0.000 3.006 3350 I HA 0.532 4.707 4.170 0.008 0.000 0.306 3350 I C -1.255 174.962 176.117 0.167 0.000 1.250 3350 I CA -1.228 60.059 61.300 -0.022 0.000 0.996 3350 I CB 2.350 40.342 38.000 -0.013 0.000 1.261 3350 I HN 0.444 nan 8.210 nan 0.000 0.442 3351 N N 2.214 121.011 118.700 0.162 0.000 2.495 3351 N HA 0.194 4.939 4.740 0.008 0.000 0.280 3351 N C 0.296 175.915 175.510 0.183 0.000 1.168 3351 N CA -0.764 52.433 53.050 0.245 0.000 0.978 3351 N CB 1.700 40.300 38.487 0.189 0.000 1.191 3351 N HN 0.548 nan 8.380 nan 0.000 0.497 3352 K N 0.887 121.415 120.400 0.215 0.000 2.044 3352 K HA -0.171 4.154 4.320 0.008 0.000 0.210 3352 K C 0.011 176.693 176.600 0.136 0.000 1.049 3352 K CA 1.847 58.230 56.287 0.160 0.000 0.927 3352 K CB 0.136 32.728 32.500 0.153 0.000 0.713 3352 K HN 0.547 nan 8.250 nan 0.000 0.443 3353 Q N 0.282 120.168 119.800 0.144 0.000 2.907 3353 Q HA 0.115 4.460 4.340 0.008 0.000 0.262 3353 Q C -0.207 175.873 176.000 0.132 0.000 0.997 3353 Q CA -0.347 55.539 55.803 0.139 0.000 0.797 3353 Q CB 1.519 30.342 28.738 0.143 0.000 1.228 3353 Q HN 0.146 nan 8.270 nan 0.000 0.466 3354 E N 0.613 120.857 120.200 0.073 0.000 2.110 3354 E HA -0.152 4.203 4.350 0.008 0.000 0.193 3354 E C 0.451 177.111 176.600 0.100 0.000 0.988 3354 E CA 1.176 57.550 56.400 -0.044 0.000 0.804 3354 E CB 0.190 29.641 29.700 -0.416 0.000 0.745 3354 E HN 0.507 nan 8.360 nan 0.000 0.458 3355 F N 0.644 120.571 119.950 -0.038 0.000 2.819 3355 F HA 0.222 4.754 4.527 0.008 0.000 0.294 3355 F C 1.643 177.448 175.800 0.009 0.000 1.166 3355 F CA -0.497 57.476 58.000 -0.044 0.000 1.374 3355 F CB 0.341 39.292 39.000 -0.082 0.000 0.956 3355 F HN -0.051 nan 8.300 nan 0.000 0.509 3356 G N 0.666 109.546 108.800 0.133 0.000 2.484 3356 G HA2 -0.295 3.670 3.960 0.008 0.000 0.215 3356 G HA3 -0.295 3.670 3.960 0.008 0.000 0.215 3356 G C 0.935 175.926 174.900 0.151 0.000 1.219 3356 G CA 1.314 46.498 45.100 0.139 0.000 0.791 3356 G HN 0.626 nan 8.290 nan 0.000 0.550 3357 W N -1.190 120.076 121.300 -0.058 0.000 5.371 3357 W HA 0.309 4.975 4.660 0.009 0.000 0.169 3357 W C 1.926 178.406 176.519 -0.065 0.000 1.184 3357 W CA 0.224 57.523 57.345 -0.075 0.000 1.946 3357 W CB -0.552 28.900 29.460 -0.014 0.000 0.602 3357 W HN 0.091 nan 8.180 nan 0.000 1.086 3358 L N 1.974 123.277 121.223 0.134 0.000 1.991 3358 L HA -0.272 4.073 4.340 0.008 0.000 0.221 3358 L C 2.129 178.852 176.870 -0.245 0.000 1.079 3358 L CA 2.909 57.696 54.840 -0.088 0.000 0.778 3358 L CB -1.039 41.177 42.059 0.262 0.000 0.893 3358 L HN 0.218 nan 8.230 nan 0.000 0.437 3359 I N -0.675 119.818 120.570 -0.128 0.000 2.099 3359 I HA -0.243 3.932 4.170 0.008 0.000 0.239 3359 I C -0.191 175.770 176.117 -0.260 0.000 1.066 3359 I CA 1.727 62.953 61.300 -0.124 0.000 1.324 3359 I CB -1.788 36.232 38.000 0.034 0.000 1.037 3359 I HN 0.289 nan 8.210 nan 0.000 0.401 3360 P HA -0.168 nan 4.420 nan 0.000 0.215 3360 P C 1.148 178.255 177.300 -0.321 0.000 1.153 3360 P CA 1.118 63.892 63.100 -0.544 0.000 0.853 3360 P CB -0.057 31.155 31.700 -0.813 0.000 0.788 3364 M N -0.264 119.317 119.600 -0.030 0.000 2.495 3364 M HA 0.179 4.664 4.480 0.008 0.000 0.237 3364 M C 0.579 176.913 176.300 0.056 0.000 1.131 3364 M CA 0.219 55.551 55.300 0.052 0.000 1.032 3364 M CB 0.480 33.170 32.600 0.150 0.000 1.513 3364 M HN 0.200 nan 8.290 nan 0.000 0.488 3365 S N 0.117 115.823 115.700 0.010 0.000 3.682 3365 S HA -0.202 4.273 4.470 0.008 0.000 0.354 3365 S C -0.228 174.395 174.600 0.039 0.000 1.034 3365 S CA 0.305 58.510 58.200 0.007 0.000 1.084 3365 S CB -2.173 61.023 63.200 -0.006 0.000 0.903 3365 S HN 0.568 nan 8.310 nan 0.000 0.470 3366 Y N 2.079 122.349 120.300 -0.050 0.000 2.610 3366 Y HA 0.274 4.829 4.550 0.008 0.000 0.332 3366 Y C -1.813 174.084 175.900 -0.005 0.000 1.201 3366 Y CA -1.189 56.907 58.100 -0.007 0.000 1.465 3366 Y CB 0.499 38.934 38.460 -0.042 0.000 1.283 3366 Y HN 0.044 nan 8.280 nan 0.000 0.563 3367 P HA 0.172 nan 4.420 nan 0.000 0.231 3367 P C -1.328 175.997 177.300 0.042 0.000 1.756 3367 P CA 0.530 63.591 63.100 -0.065 0.000 0.990 3367 P CB -0.327 31.288 31.700 -0.141 0.000 1.973 3368 L N 0.953 122.249 121.223 0.121 0.000 2.409 3368 L HA 0.454 4.799 4.340 0.008 0.000 0.272 3368 L C 0.407 177.328 176.870 0.086 0.000 0.980 3368 L CA -0.208 54.708 54.840 0.128 0.000 0.826 3368 L CB 2.225 44.412 42.059 0.213 0.000 1.268 3368 L HN 0.028 nan 8.230 nan 0.000 0.407 3369 S N 0.264 116.001 115.700 0.063 0.000 3.022 3369 S HA 0.356 4.831 4.470 0.008 0.000 0.247 3369 S C -0.506 174.121 174.600 0.046 0.000 0.845 3369 S CA -0.668 57.565 58.200 0.055 0.000 1.104 3369 S CB 0.258 63.483 63.200 0.042 0.000 1.228 3369 S HN 0.520 nan 8.310 nan 0.000 0.532 3370 E N 0.653 120.882 120.200 0.048 0.000 2.287 3370 E HA 0.398 4.753 4.350 0.008 0.000 0.274 3370 E C 0.544 177.171 176.600 0.045 0.000 0.896 3370 E CA -0.567 55.856 56.400 0.038 0.000 0.788 3370 E CB 1.439 31.154 29.700 0.025 0.000 1.244 3370 E HN 0.266 nan 8.360 nan 0.000 0.408 3371 G N 2.276 111.102 108.800 0.044 0.000 2.625 3371 G HA2 -0.166 3.799 3.960 0.008 0.000 0.214 3371 G HA3 -0.166 3.799 3.960 0.008 0.000 0.214 3371 G C 0.484 175.411 174.900 0.045 0.000 1.132 3371 G CA 0.708 45.837 45.100 0.049 0.000 0.782 3371 G HN 0.215 nan 8.290 nan 0.000 0.538 3372 Q N -1.388 118.433 119.800 0.035 0.000 2.241 3372 Q HA 0.797 5.142 4.340 0.008 0.000 0.262 3372 Q C -1.077 174.934 176.000 0.018 0.000 1.014 3372 Q CA -0.684 55.136 55.803 0.028 0.000 0.885 3372 Q CB 2.681 31.431 28.738 0.021 0.000 1.311 3372 Q HN 0.082 nan 8.270 nan 0.000 0.461 3373 L N 1.647 122.877 121.223 0.012 0.000 2.830 3373 L HA 0.290 4.635 4.340 0.008 0.000 0.259 3373 L C -1.809 175.055 176.870 -0.009 0.000 0.943 3373 L CA -0.274 54.554 54.840 -0.019 0.000 0.997 3373 L CB 1.432 43.465 42.059 -0.043 0.000 1.427 3373 L HN 0.733 nan 8.230 nan 0.000 0.456 3374 D N 3.197 123.589 120.400 -0.014 0.000 2.358 3374 D HA 0.090 4.734 4.640 0.008 0.000 0.244 3374 D C 0.219 176.519 176.300 -0.000 0.000 1.163 3374 D CA -0.489 53.511 54.000 0.001 0.000 0.945 3374 D CB 0.977 41.778 40.800 0.002 0.000 1.152 3374 D HN 0.624 nan 8.370 nan 0.000 0.451 3375 Q N -0.403 119.410 119.800 0.021 0.000 2.291 3375 Q HA -0.141 4.204 4.340 0.008 0.000 0.205 3375 Q C 1.902 177.920 176.000 0.030 0.000 0.970 3375 Q CA 0.845 56.671 55.803 0.038 0.000 0.876 3375 Q CB 0.083 28.852 28.738 0.051 0.000 0.935 3375 Q HN 0.493 nan 8.270 nan 0.000 0.455 3376 K N 0.371 120.781 120.400 0.015 0.000 2.031 3376 K HA -0.077 4.248 4.320 0.008 0.000 0.205 3376 K C 1.780 178.384 176.600 0.007 0.000 1.049 3376 K CA 1.391 57.687 56.287 0.014 0.000 0.939 3376 K CB 0.153 32.659 32.500 0.009 0.000 0.717 3376 K HN 0.006 nan 8.250 nan 0.000 0.438 3377 T N 0.796 115.340 114.554 -0.018 0.000 2.951 3377 T HA -0.019 4.336 4.350 0.008 0.000 0.268 3377 T C 1.737 176.377 174.700 -0.100 0.000 1.073 3377 T CA 0.978 63.052 62.100 -0.044 0.000 1.134 3377 T CB -0.075 68.758 68.868 -0.058 0.000 0.884 3377 T HN 0.376 nan 8.240 nan 0.000 0.479 3378 A N 1.402 124.147 122.820 -0.124 0.000 1.929 3378 A HA 0.067 4.392 4.320 0.008 0.000 0.216 3378 A C 2.283 179.900 177.584 0.056 0.000 1.176 3378 A CA 1.063 52.956 52.037 -0.240 0.000 0.628 3378 A CB -0.534 18.414 19.000 -0.087 0.000 0.816 3378 A HN 0.416 nan 8.150 nan 0.000 0.444 3379 M N -0.195 119.469 119.600 0.106 0.000 2.229 3379 M HA -0.097 4.388 4.480 0.008 0.000 0.264 3379 M C 2.219 178.637 176.300 0.196 0.000 1.063 3379 M CA 1.456 56.857 55.300 0.168 0.000 1.114 3379 M CB -0.261 32.400 32.600 0.101 0.000 1.387 3379 M HN 0.435 nan 8.290 nan 0.000 0.420 3380 S N 0.793 116.576 115.700 0.139 0.000 2.371 3380 S HA 0.006 4.481 4.470 0.008 0.000 0.224 3380 S C 1.859 176.590 174.600 0.218 0.000 1.029 3380 S CA 0.916 59.219 58.200 0.171 0.000 0.978 3380 S CB -0.258 62.996 63.200 0.090 0.000 0.833 3380 S HN 0.403 nan 8.310 nan 0.000 0.466 3381 L N 0.642 121.959 121.223 0.156 0.000 2.109 3381 L HA -0.010 4.335 4.340 0.008 0.000 0.207 3381 L C 2.319 179.436 176.870 0.413 0.000 1.086 3381 L CA 0.647 55.602 54.840 0.192 0.000 0.760 3381 L CB -0.422 41.681 42.059 0.072 0.000 0.910 3381 L HN 0.263 nan 8.230 nan 0.000 0.437 3382 L N -0.702 120.848 121.223 0.545 0.000 2.141 3382 L HA -0.230 4.115 4.340 0.008 0.000 0.209 3382 L C 2.142 179.287 176.870 0.458 0.000 1.094 3382 L CA 1.668 56.828 54.840 0.533 0.000 0.763 3382 L CB -0.580 41.787 42.059 0.513 0.000 0.908 3382 L HN 0.346 nan 8.230 nan 0.000 0.437 3383 W N 0.039 121.466 121.300 0.212 0.000 2.407 3383 W HA -0.190 4.476 4.660 0.009 0.000 0.305 3383 W C 2.011 178.633 176.519 0.173 0.000 1.196 3383 W CA 0.528 57.981 57.345 0.180 0.000 1.311 3383 W CB 0.120 29.649 29.460 0.115 0.000 1.135 3383 W HN -0.027 nan 8.180 nan 0.000 0.514 3384 K N 0.687 121.132 120.400 0.076 0.000 2.280 3384 K HA -0.090 4.235 4.320 0.008 0.000 0.202 3384 K C 1.704 178.273 176.600 -0.052 0.000 1.047 3384 K CA 1.164 57.391 56.287 -0.100 0.000 0.942 3384 K CB -0.672 31.806 32.500 -0.037 0.000 0.739 3384 K HN 0.035 nan 8.250 nan 0.000 0.457 3385 S N 0.643 116.393 115.700 0.085 0.000 2.631 3385 S HA -0.015 4.460 4.470 0.008 0.000 0.217 3385 S C 1.189 175.821 174.600 0.053 0.000 0.958 3385 S CA -0.326 57.949 58.200 0.125 0.000 0.920 3385 S CB -0.311 63.045 63.200 0.260 0.000 0.776 3385 S HN 0.289 nan 8.310 nan 0.000 0.517 3386 Y N 4.043 124.260 120.300 -0.138 0.000 2.062 3386 Y HA -0.224 4.330 4.550 0.008 0.000 0.276 3386 Y C -0.779 175.049 175.900 -0.120 0.000 1.189 3386 Y CA 2.198 60.196 58.100 -0.170 0.000 1.130 3386 Y CB -1.245 36.941 38.460 -0.456 0.000 0.959 3386 Y HN 0.259 nan 8.280 nan 0.000 0.499 3387 P HA -0.180 nan 4.420 nan 0.000 0.221 3387 P C 1.477 178.684 177.300 -0.156 0.000 1.145 3387 P CA 1.753 64.798 63.100 -0.091 0.000 0.795 3387 P CB -0.159 31.540 31.700 -0.001 0.000 0.775 3388 L N -0.646 120.497 121.223 -0.134 0.000 2.102 3388 L HA -0.038 4.307 4.340 0.008 0.000 0.202 3388 L C 2.593 179.303 176.870 -0.267 0.000 1.076 3388 L CA 1.206 55.944 54.840 -0.171 0.000 0.761 3388 L CB -0.649 41.338 42.059 -0.120 0.000 0.921 3388 L HN -0.111 nan 8.230 nan 0.000 0.444 3389 V N -6.045 113.714 119.914 -0.258 0.000 3.379 3389 V HA 0.143 4.268 4.120 0.008 0.000 0.249 3389 V C 1.076 177.024 176.094 -0.243 0.000 1.184 3389 V CA -0.612 61.531 62.300 -0.263 0.000 1.106 3389 V CB -0.086 31.604 31.823 -0.222 0.000 0.826 3389 V HN 0.475 nan 8.190 nan 0.000 0.465 3390 C N 1.721 120.756 119.300 -0.442 0.000 4.234 3390 C HA -0.137 4.328 4.460 0.008 0.000 0.308 3390 C C 0.304 175.214 174.990 -0.134 0.000 1.286 3390 C CA 0.067 58.651 59.018 -0.724 0.000 2.102 3390 C CB -2.740 24.677 27.740 -0.539 0.000 1.311 3390 C HN 0.644 nan 8.230 nan 0.000 0.689 3391 I N 1.242 121.883 120.570 0.117 0.000 2.362 3391 I HA 0.521 4.696 4.170 0.008 0.000 0.289 3391 I C 0.897 177.380 176.117 0.611 0.000 0.994 3391 I CA -0.197 61.359 61.300 0.427 0.000 1.158 3391 I CB 1.267 39.472 38.000 0.342 0.000 1.315 3391 I HN 0.532 nan 8.210 nan 0.000 0.451 3392 A N 5.949 129.089 122.820 0.533 0.000 2.561 3392 A HA 0.019 4.344 4.320 0.008 0.000 0.234 3392 A C 1.443 179.218 177.584 0.318 0.000 1.055 3392 A CA 0.099 52.417 52.037 0.469 0.000 0.756 3392 A CB 0.196 19.375 19.000 0.298 0.000 0.986 3392 A HN 0.928 nan 8.150 nan 0.000 0.505 3393 K N 0.530 120.996 120.400 0.109 0.000 2.152 3393 K HA -0.170 4.155 4.320 0.008 0.000 0.206 3393 K C 1.480 178.001 176.600 -0.132 0.000 1.048 3393 K CA 1.782 57.883 56.287 -0.311 0.000 0.933 3393 K CB 0.030 31.996 32.500 -0.890 0.000 0.721 3393 K HN 0.856 nan 8.250 nan 0.000 0.447 3394 E N 0.416 120.592 120.200 -0.040 0.000 2.268 3394 E HA -0.171 4.184 4.350 0.008 0.000 0.195 3394 E C 1.848 178.457 176.600 0.014 0.000 0.995 3394 E CA 0.807 57.196 56.400 -0.019 0.000 0.836 3394 E CB -0.141 29.561 29.700 0.002 0.000 0.763 3394 E HN 0.410 nan 8.360 nan 0.000 0.491 3395 L N 0.351 121.607 121.223 0.055 0.000 2.354 3395 L HA 0.032 4.377 4.340 0.008 0.000 0.212 3395 L C 2.396 179.313 176.870 0.078 0.000 1.091 3395 L CA -0.055 54.815 54.840 0.051 0.000 0.828 3395 L CB -0.372 41.717 42.059 0.051 0.000 0.973 3395 L HN -0.052 nan 8.230 nan 0.000 0.461 3396 I N 1.057 121.694 120.570 0.112 0.000 2.103 3396 I HA -0.260 3.915 4.170 0.008 0.000 0.241 3396 I C 0.081 176.271 176.117 0.122 0.000 1.036 3396 I CA 2.344 63.733 61.300 0.148 0.000 1.300 3396 I CB -2.498 35.585 38.000 0.139 0.000 1.010 3396 I HN 0.194 nan 8.210 nan 0.000 0.406 3397 P HA -0.204 nan 4.420 nan 0.000 0.215 3397 P C 1.742 179.090 177.300 0.079 0.000 1.157 3397 P CA 1.757 64.896 63.100 0.065 0.000 0.874 3397 P CB -0.075 31.643 31.700 0.030 0.000 0.790 3398 E N -0.491 119.751 120.200 0.071 0.000 2.077 3398 E HA -0.199 4.156 4.350 0.008 0.000 0.193 3398 E C 1.941 178.628 176.600 0.144 0.000 0.989 3398 E CA 1.300 57.749 56.400 0.082 0.000 0.800 3398 E CB -0.561 29.168 29.700 0.048 0.000 0.746 3398 E HN 0.072 nan 8.360 nan 0.000 0.452 3399 A N 0.163 123.083 122.820 0.167 0.000 1.898 3399 A HA -0.138 4.187 4.320 0.008 0.000 0.216 3399 A C 2.373 180.087 177.584 0.217 0.000 1.181 3399 A CA 1.905 54.083 52.037 0.235 0.000 0.620 3399 A CB -0.848 18.297 19.000 0.242 0.000 0.819 3399 A HN 0.339 nan 8.150 nan 0.000 0.442 3400 T N -0.409 114.266 114.554 0.200 0.000 2.777 3400 T HA -0.122 4.233 4.350 0.008 0.000 0.266 3400 T C 1.912 176.719 174.700 0.179 0.000 1.040 3400 T CA 1.680 63.910 62.100 0.217 0.000 1.141 3400 T CB -0.199 68.792 68.868 0.205 0.000 0.868 3400 T HN 0.621 nan 8.240 nan 0.000 0.444 3401 E N 1.593 121.866 120.200 0.121 0.000 2.051 3401 E HA -0.132 4.222 4.350 0.008 0.000 0.192 3401 E C 2.103 178.725 176.600 0.037 0.000 0.991 3401 E CA 1.362 57.807 56.400 0.073 0.000 0.799 3401 E CB -0.272 29.458 29.700 0.050 0.000 0.748 3401 E HN 0.198 nan 8.360 nan 0.000 0.449 3402 K N -0.948 119.452 120.400 -0.000 0.000 2.127 3402 K HA -0.199 4.126 4.320 0.008 0.000 0.208 3402 K C 1.711 178.182 176.600 -0.215 0.000 1.047 3402 K CA 1.745 57.918 56.287 -0.189 0.000 0.927 3402 K CB -0.474 31.727 32.500 -0.497 0.000 0.716 3402 K HN 0.288 nan 8.250 nan 0.000 0.450 3403 Y N -0.692 119.524 120.300 -0.140 0.000 2.284 3403 Y HA 0.159 4.714 4.550 0.009 0.000 0.293 3403 Y C 1.863 177.769 175.900 0.010 0.000 1.140 3403 Y CA 0.877 58.941 58.100 -0.059 0.000 1.153 3403 Y CB -0.062 38.410 38.460 0.019 0.000 1.114 3403 Y HN -0.127 nan 8.280 nan 0.000 0.521 3404 L N -1.346 120.012 121.223 0.225 0.000 2.068 3404 L HA 0.017 4.362 4.340 0.008 0.000 0.204 3404 L C 2.260 179.180 176.870 0.085 0.000 1.076 3404 L CA 1.167 56.101 54.840 0.158 0.000 0.753 3404 L CB -1.310 40.850 42.059 0.168 0.000 0.910 3404 L HN 0.266 nan 8.230 nan 0.000 0.439 3405 G N -0.049 108.790 108.800 0.065 0.000 2.894 3405 G HA2 -0.047 3.918 3.960 0.008 0.000 0.203 3405 G HA3 -0.047 3.918 3.960 0.008 0.000 0.203 3405 G C 1.287 176.192 174.900 0.009 0.000 1.173 3405 G CA 0.646 45.766 45.100 0.033 0.000 0.854 3405 G HN 0.505 nan 8.290 nan 0.000 0.510 3406 G N -0.354 108.450 108.800 0.007 0.000 2.437 3406 G HA2 0.247 4.212 3.960 0.008 0.000 0.212 3406 G HA3 0.247 4.212 3.960 0.008 0.000 0.212 3406 G C 0.939 175.839 174.900 0.001 0.000 1.174 3406 G CA 1.186 46.278 45.100 -0.013 0.000 0.811 3406 G HN 0.707 nan 8.290 nan 0.000 0.537 3407 T N -3.250 111.314 114.554 0.018 0.000 2.930 3407 T HA 0.479 4.834 4.350 0.008 0.000 0.290 3407 T C 0.006 174.722 174.700 0.026 0.000 1.052 3407 T CA -0.541 61.571 62.100 0.020 0.000 1.017 3407 T CB 2.456 71.339 68.868 0.024 0.000 1.137 3407 T HN -0.121 nan 8.240 nan 0.000 0.511 3408 D N -0.199 120.214 120.400 0.022 0.000 2.271 3408 D HA 0.004 4.649 4.640 0.008 0.000 0.206 3408 D C 0.290 176.606 176.300 0.026 0.000 0.967 3408 D CA 0.426 54.439 54.000 0.022 0.000 0.867 3408 D CB 0.030 40.840 40.800 0.017 0.000 0.960 3408 D HN 0.640 nan 8.370 nan 0.000 0.509 3409 D N 1.668 122.085 120.400 0.027 0.000 2.455 3409 D HA -0.077 4.568 4.640 0.008 0.000 0.265 3409 D C 1.488 177.811 176.300 0.038 0.000 1.284 3409 D CA 0.321 54.339 54.000 0.030 0.000 0.944 3409 D CB 0.883 41.701 40.800 0.031 0.000 1.121 3409 D HN 0.116 nan 8.370 nan 0.000 0.525 3410 T N 0.260 114.835 114.554 0.034 0.000 2.867 3410 T HA -0.120 4.235 4.350 0.008 0.000 0.268 3410 T C 1.925 176.652 174.700 0.046 0.000 1.057 3410 T CA 0.784 62.907 62.100 0.037 0.000 1.136 3410 T CB -0.106 68.778 68.868 0.027 0.000 0.874 3410 T HN 0.216 nan 8.240 nan 0.000 0.466 3411 V N 1.390 121.331 119.914 0.044 0.000 2.591 3411 V HA 0.039 4.164 4.120 0.008 0.000 0.249 3411 V C 2.698 178.832 176.094 0.066 0.000 1.053 3411 V CA 1.537 63.868 62.300 0.051 0.000 1.068 3411 V CB -0.591 31.257 31.823 0.042 0.000 0.689 3411 V HN 0.501 nan 8.190 nan 0.000 0.462 3412 K N 0.210 120.647 120.400 0.063 0.000 2.296 3412 K HA -0.073 4.252 4.320 0.008 0.000 0.200 3412 K C 2.092 178.751 176.600 0.098 0.000 1.048 3412 K CA 0.756 57.087 56.287 0.074 0.000 0.966 3412 K CB 0.033 32.568 32.500 0.057 0.000 0.754 3412 K HN 0.360 nan 8.250 nan 0.000 0.466 3413 K N 0.713 121.169 120.400 0.094 0.000 2.211 3413 K HA -0.159 4.166 4.320 0.008 0.000 0.203 3413 K C 1.964 178.663 176.600 0.165 0.000 1.050 3413 K CA 1.499 57.857 56.287 0.119 0.000 0.945 3413 K CB 0.116 32.669 32.500 0.088 0.000 0.732 3413 K HN 0.118 nan 8.250 nan 0.000 0.451 3414 K N 0.835 121.322 120.400 0.145 0.000 2.098 3414 K HA -0.044 4.281 4.320 0.008 0.000 0.203 3414 K C 1.205 177.955 176.600 0.250 0.000 1.051 3414 K CA 1.772 58.172 56.287 0.189 0.000 0.957 3414 K CB -0.245 32.329 32.500 0.123 0.000 0.738 3414 K HN -0.122 nan 8.250 nan 0.000 0.447 3415 D N 0.828 121.339 120.400 0.185 0.000 2.190 3415 D HA -0.128 4.517 4.640 0.008 0.000 0.200 3415 D C 1.683 178.111 176.300 0.213 0.000 0.992 3415 D CA 1.481 55.589 54.000 0.179 0.000 0.854 3415 D CB -0.064 40.815 40.800 0.132 0.000 0.936 3415 D HN 0.200 nan 8.370 nan 0.000 0.462 3416 L N -0.754 120.611 121.223 0.236 0.000 2.109 3416 L HA -0.060 4.285 4.340 0.008 0.000 0.207 3416 L C 2.070 179.126 176.870 0.311 0.000 1.086 3416 L CA 0.431 55.444 54.840 0.290 0.000 0.760 3416 L CB -0.401 41.830 42.059 0.286 0.000 0.910 3416 L HN 0.037 nan 8.230 nan 0.000 0.437 3417 F N 1.131 121.175 119.950 0.156 0.000 2.095 3417 F HA -0.238 4.294 4.527 0.008 0.000 0.298 3417 F C 2.183 178.049 175.800 0.110 0.000 1.104 3417 F CA 1.592 59.660 58.000 0.113 0.000 1.232 3417 F CB -0.235 38.850 39.000 0.140 0.000 0.987 3417 F HN -0.127 nan 8.300 nan 0.000 0.475 3418 L N -0.190 121.193 121.223 0.267 0.000 2.265 3418 L HA -0.207 4.138 4.340 0.008 0.000 0.215 3418 L C 1.854 178.797 176.870 0.121 0.000 1.117 3418 L CA 1.076 56.050 54.840 0.225 0.000 0.782 3418 L CB -0.718 41.494 42.059 0.255 0.000 0.914 3418 L HN 0.153 nan 8.230 nan 0.000 0.441 3419 D N -0.070 120.399 120.400 0.116 0.000 2.183 3419 D HA -0.089 4.556 4.640 0.008 0.000 0.205 3419 D C 2.124 178.444 176.300 0.033 0.000 0.962 3419 D CA 0.931 55.018 54.000 0.144 0.000 0.849 3419 D CB 0.020 40.980 40.800 0.267 0.000 0.978 3419 D HN 0.257 nan 8.370 nan 0.000 0.488 3420 L N 0.368 121.439 121.223 -0.254 0.000 2.017 3420 L HA -0.111 4.234 4.340 0.008 0.000 0.208 3420 L C 1.952 178.554 176.870 -0.447 0.000 1.073 3420 L CA 1.505 55.971 54.840 -0.624 0.000 0.745 3420 L CB -1.102 40.299 42.059 -1.097 0.000 0.894 3420 L HN -0.123 nan 8.230 nan 0.000 0.432 3421 I N 1.243 121.502 120.570 -0.519 0.000 2.113 3421 I HA -0.346 3.829 4.170 0.008 0.000 0.242 3421 I C 2.826 178.686 176.117 -0.430 0.000 1.064 3421 I CA 1.912 62.845 61.300 -0.612 0.000 1.320 3421 I CB -1.867 35.564 38.000 -0.949 0.000 1.028 3421 I HN 0.485 nan 8.210 nan 0.000 0.406 3422 A N 0.305 123.002 122.820 -0.205 0.000 1.972 3422 A HA -0.220 4.105 4.320 0.008 0.000 0.219 3422 A C 1.965 179.571 177.584 0.036 0.000 1.169 3422 A CA 1.973 54.026 52.037 0.027 0.000 0.635 3422 A CB -0.566 18.497 19.000 0.105 0.000 0.810 3422 A HN 0.402 nan 8.150 nan 0.000 0.446 3423 D N -0.426 119.946 120.400 -0.045 0.000 2.117 3423 D HA -0.074 4.571 4.640 0.008 0.000 0.198 3423 D C 1.970 178.115 176.300 -0.259 0.000 0.982 3423 D CA 1.345 55.324 54.000 -0.035 0.000 0.828 3423 D CB -0.351 40.539 40.800 0.150 0.000 0.967 3423 D HN 0.211 nan 8.370 nan 0.000 0.464 3424 V N 0.677 120.290 119.914 -0.501 0.000 2.809 3424 V HA -0.135 3.990 4.120 0.008 0.000 0.256 3424 V C 2.216 178.057 176.094 -0.420 0.000 1.080 3424 V CA 1.095 63.010 62.300 -0.642 0.000 1.102 3424 V CB -0.238 31.098 31.823 -0.812 0.000 0.705 3424 V HN 0.220 nan 8.190 nan 0.000 0.475 3425 M N -2.122 117.262 119.600 -0.360 0.000 2.557 3425 M HA 0.163 4.648 4.480 0.008 0.000 0.262 3425 M C 1.729 177.637 176.300 -0.654 0.000 1.168 3425 M CA 1.686 56.667 55.300 -0.532 0.000 1.194 3425 M CB 0.049 32.286 32.600 -0.605 0.000 1.311 3425 M HN 0.350 nan 8.290 nan 0.000 0.489 3426 F N -0.948 118.921 119.950 -0.136 0.000 2.537 3426 F HA 0.365 4.897 4.527 0.008 0.000 0.275 3426 F C 2.325 178.074 175.800 -0.085 0.000 0.947 3426 F CA 0.253 58.206 58.000 -0.079 0.000 1.238 3426 F CB -1.402 37.591 39.000 -0.012 0.000 1.071 3426 F HN 0.054 nan 8.300 nan 0.000 0.749 3427 G N 1.264 110.149 108.800 0.142 0.000 2.877 3427 G HA2 -0.242 3.723 3.960 0.008 0.000 0.211 3427 G HA3 -0.242 3.723 3.960 0.008 0.000 0.211 3427 G C 1.788 176.693 174.900 0.008 0.000 1.367 3427 G CA 1.920 47.053 45.100 0.054 0.000 0.807 3427 G HN 0.125 nan 8.290 nan 0.000 0.666 3428 V N 2.669 122.590 119.914 0.012 0.000 2.236 3428 V HA -0.220 3.905 4.120 0.008 0.000 0.255 3428 V C 0.590 176.679 176.094 -0.009 0.000 1.068 3428 V CA 2.899 65.219 62.300 0.033 0.000 1.044 3428 V CB -1.375 30.468 31.823 0.032 0.000 0.653 3428 V HN 0.349 nan 8.190 nan 0.000 0.448 3429 P HA -0.135 nan 4.420 nan 0.000 0.215 3429 P C 2.077 179.334 177.300 -0.072 0.000 1.157 3429 P CA 2.065 65.115 63.100 -0.083 0.000 0.874 3429 P CB -0.122 31.488 31.700 -0.149 0.000 0.790 3430 S N -0.863 114.793 115.700 -0.073 0.000 2.353 3430 S HA -0.126 4.349 4.470 0.008 0.000 0.222 3430 S C 1.986 176.498 174.600 -0.147 0.000 1.035 3430 S CA 1.352 59.482 58.200 -0.116 0.000 1.025 3430 S CB -1.243 61.888 63.200 -0.117 0.000 0.902 3430 S HN -0.073 nan 8.310 nan 0.000 0.440 3431 V N 1.981 121.827 119.914 -0.113 0.000 2.490 3431 V HA -0.165 3.960 4.120 0.008 0.000 0.250 3431 V C 1.971 178.060 176.094 -0.008 0.000 1.061 3431 V CA 1.427 63.669 62.300 -0.097 0.000 1.064 3431 V CB -0.683 31.122 31.823 -0.031 0.000 0.670 3431 V HN 0.440 nan 8.190 nan 0.000 0.461 3432 I N -0.585 119.989 120.570 0.006 0.000 2.142 3432 I HA -0.207 3.968 4.170 0.008 0.000 0.240 3432 I C 2.406 178.543 176.117 0.033 0.000 1.078 3432 I CA 1.320 62.642 61.300 0.036 0.000 1.343 3432 I CB -0.542 37.473 38.000 0.026 0.000 1.046 3432 I HN 0.123 nan 8.210 nan 0.000 0.405 3433 V N 1.296 121.207 119.914 -0.004 0.000 2.324 3433 V HA -0.361 3.764 4.120 0.008 0.000 0.250 3433 V C 2.751 178.861 176.094 0.027 0.000 1.060 3433 V CA 2.158 64.465 62.300 0.011 0.000 1.042 3433 V CB -1.148 30.656 31.823 -0.031 0.000 0.650 3433 V HN 0.537 nan 8.190 nan 0.000 0.450 3434 A N -0.419 122.365 122.820 -0.061 0.000 1.940 3434 A HA -0.249 4.076 4.320 0.008 0.000 0.219 3434 A C 2.387 180.096 177.584 0.208 0.000 1.176 3434 A CA 2.004 54.004 52.037 -0.061 0.000 0.631 3434 A CB -0.491 18.293 19.000 -0.361 0.000 0.814 3434 A HN 0.524 nan 8.150 nan 0.000 0.446 3435 R N -0.364 120.268 120.500 0.220 0.000 2.066 3435 R HA -0.091 4.254 4.340 0.008 0.000 0.232 3435 R C 2.030 178.414 176.300 0.139 0.000 1.131 3435 R CA 1.702 57.936 56.100 0.224 0.000 0.955 3435 R CB -0.430 29.968 30.300 0.162 0.000 0.851 3435 R HN 0.726 nan 8.270 nan 0.000 0.432 3436 N N -0.612 118.158 118.700 0.117 0.000 2.188 3436 N HA -0.195 4.550 4.740 0.008 0.000 0.184 3436 N C 1.725 177.304 175.510 0.115 0.000 1.018 3436 N CA 0.863 53.967 53.050 0.090 0.000 0.858 3436 N CB -0.183 38.349 38.487 0.075 0.000 0.989 3436 N HN 0.264 nan 8.380 nan 0.000 0.426 3437 H N 1.895 121.015 119.070 0.083 0.000 2.353 3437 H HA -0.031 4.530 4.556 0.008 0.000 0.300 3437 H C 2.262 177.635 175.328 0.075 0.000 1.090 3437 H CA 1.594 57.704 56.048 0.104 0.000 1.327 3437 H CB 0.026 29.903 29.762 0.191 0.000 1.383 3437 H HN 0.040 nan 8.280 nan 0.000 0.508 3438 R N 0.289 120.859 120.500 0.116 0.000 2.082 3438 R HA -0.142 4.203 4.340 0.008 0.000 0.234 3438 R C 1.335 177.605 176.300 -0.050 0.000 1.136 3438 R CA 2.135 58.251 56.100 0.026 0.000 0.935 3438 R CB -0.288 30.057 30.300 0.074 0.000 0.842 3438 R HN 0.412 nan 8.270 nan 0.000 0.430 3439 D N 0.023 120.409 120.400 -0.022 0.000 2.350 3439 D HA -0.079 4.566 4.640 0.008 0.000 0.216 3439 D C 1.167 177.427 176.300 -0.067 0.000 0.968 3439 D CA 1.056 55.031 54.000 -0.042 0.000 0.894 3439 D CB 0.166 40.954 40.800 -0.020 0.000 0.909 3439 D HN 0.444 nan 8.370 nan 0.000 0.520 3440 A N -0.245 122.520 122.820 -0.091 0.000 2.251 3440 A HA 0.415 4.739 4.320 0.008 0.000 0.209 3440 A C 1.852 179.341 177.584 -0.159 0.000 1.187 3440 A CA 0.979 52.944 52.037 -0.121 0.000 0.823 3440 A CB 0.050 18.982 19.000 -0.114 0.000 0.846 3440 A HN 0.240 nan 8.150 nan 0.000 0.486 3441 G N -1.850 106.857 108.800 -0.154 0.000 2.213 3441 G HA2 0.064 4.029 3.960 0.008 0.000 0.236 3441 G HA3 0.064 4.029 3.960 0.008 0.000 0.236 3441 G C 0.547 175.347 174.900 -0.167 0.000 0.991 3441 G CA 0.236 45.253 45.100 -0.140 0.000 0.629 3441 G HN 1.563 nan 8.290 nan 0.000 0.517 3442 A N 0.826 123.468 122.820 -0.297 0.000 2.304 3442 A HA 0.749 5.074 4.320 0.008 0.000 0.271 3442 A C -2.044 175.421 177.584 -0.197 0.000 1.091 3442 A CA -0.936 50.913 52.037 -0.313 0.000 0.812 3442 A CB 0.396 19.061 19.000 -0.559 0.000 1.056 3442 A HN 0.157 nan 8.150 nan 0.000 0.489 3443 P HA 0.343 nan 4.420 nan 0.000 0.271 3443 P C -0.510 176.978 177.300 0.314 0.000 1.216 3443 P CA 0.373 63.545 63.100 0.120 0.000 0.771 3443 P CB 1.032 32.839 31.700 0.179 0.000 0.864 3444 T N 2.187 116.835 114.554 0.156 0.000 2.901 3444 T HA 0.640 4.995 4.350 0.008 0.000 0.293 3444 T C -1.190 173.426 174.700 -0.141 0.000 1.084 3444 T CA -0.321 61.915 62.100 0.227 0.000 1.008 3444 T CB 1.019 70.073 68.868 0.308 0.000 1.170 3444 T HN 0.173 nan 8.240 nan 0.000 0.509 3445 Y N -0.074 120.178 120.300 -0.080 0.000 2.552 3445 Y HA 0.664 5.219 4.550 0.008 0.000 0.337 3445 Y C -0.330 175.451 175.900 -0.198 0.000 1.094 3445 Y CA -1.097 56.880 58.100 -0.205 0.000 1.028 3445 Y CB 2.112 40.171 38.460 -0.668 0.000 1.321 3445 Y HN 0.391 nan 8.280 nan 0.000 0.456 3446 M N 2.159 121.874 119.600 0.193 0.000 2.704 3446 M HA 0.621 5.106 4.480 0.008 0.000 0.284 3446 M C -1.752 174.833 176.300 0.476 0.000 1.275 3446 M CA -1.013 54.312 55.300 0.041 0.000 0.811 3446 M CB 3.680 36.088 32.600 -0.320 0.000 1.741 3446 M HN 0.754 nan 8.290 nan 0.000 0.458 3447 Y N -1.659 118.783 120.300 0.236 0.000 2.662 3447 Y HA 0.576 5.131 4.550 0.008 0.000 0.334 3447 Y C -1.859 174.140 175.900 0.164 0.000 1.185 3447 Y CA -1.024 57.199 58.100 0.205 0.000 1.074 3447 Y CB 1.222 39.768 38.460 0.144 0.000 1.330 3447 Y HN 0.693 nan 8.280 nan 0.000 0.458 3448 E N 3.207 123.699 120.200 0.486 0.000 2.220 3448 E HA 0.329 4.684 4.350 0.008 0.000 0.256 3448 E C -2.128 174.735 176.600 0.438 0.000 0.881 3448 E CA -0.851 55.773 56.400 0.374 0.000 0.766 3448 E CB 1.210 31.044 29.700 0.223 0.000 1.187 3448 E HN 0.642 nan 8.360 nan 0.000 0.419 3449 F N 3.888 124.067 119.950 0.380 0.000 2.445 3449 F HA 0.176 4.709 4.527 0.009 0.000 0.359 3449 F C -0.022 175.888 175.800 0.183 0.000 1.101 3449 F CA 0.083 58.218 58.000 0.225 0.000 1.177 3449 F CB 0.913 40.039 39.000 0.210 0.000 1.110 3449 F HN 0.470 nan 8.300 nan 0.000 0.522 3450 Q N 7.255 127.003 119.800 -0.086 0.000 2.771 3450 Q HA 0.258 4.602 4.340 0.008 0.000 0.247 3450 Q C -2.202 173.799 176.000 0.001 0.000 0.986 3450 Q CA -0.540 55.290 55.803 0.046 0.000 0.713 3450 Q CB 0.804 29.572 28.738 0.050 0.000 1.241 3450 Q HN 0.805 nan 8.270 nan 0.000 0.488 3451 Y N 0.630 120.905 120.300 -0.041 0.000 2.656 3451 Y HA 0.471 5.026 4.550 0.008 0.000 0.334 3451 Y C -1.905 174.083 175.900 0.147 0.000 1.179 3451 Y CA -1.030 57.059 58.100 -0.019 0.000 1.050 3451 Y CB 1.648 40.011 38.460 -0.161 0.000 1.308 3451 Y HN 0.442 nan 8.280 nan 0.000 0.456 3452 R N 5.425 125.504 120.500 -0.701 0.000 2.415 3452 R HA 0.439 4.784 4.340 0.008 0.000 0.292 3452 R C -2.878 173.134 176.300 -0.480 0.000 1.295 3452 R CA -2.064 53.801 56.100 -0.392 0.000 1.137 3452 R CB 0.929 31.031 30.300 -0.330 0.000 1.135 3452 R HN 0.433 nan 8.270 nan 0.000 0.560 3453 P HA -0.059 nan 4.420 nan 0.000 0.267 3453 P C 0.176 177.263 177.300 -0.355 0.000 1.201 3453 P CA 0.238 63.280 63.100 -0.095 0.000 0.775 3453 P CB 1.088 32.724 31.700 -0.108 0.000 0.854 3454 S N 0.299 115.656 115.700 -0.571 0.000 2.603 3454 S HA 0.038 4.513 4.470 0.008 0.000 0.220 3454 S C 1.032 175.268 174.600 -0.606 0.000 0.967 3454 S CA 0.032 57.884 58.200 -0.580 0.000 0.920 3454 S CB -1.029 61.799 63.200 -0.620 0.000 0.773 3454 S HN 0.407 nan 8.310 nan 0.000 0.529 3455 F N 2.059 121.783 119.950 -0.378 0.000 2.727 3455 F HA 0.338 4.870 4.527 0.009 0.000 0.302 3455 F C 1.142 176.737 175.800 -0.342 0.000 1.097 3455 F CA -0.708 57.030 58.000 -0.438 0.000 1.330 3455 F CB -0.028 38.478 39.000 -0.823 0.000 1.084 3455 F HN 0.064 nan 8.300 nan 0.000 0.578 3456 S N 0.028 115.632 115.700 -0.159 0.000 2.576 3456 S HA 0.016 4.491 4.470 0.008 0.000 0.272 3456 S C 0.504 175.076 174.600 -0.047 0.000 1.352 3456 S CA -0.599 57.563 58.200 -0.062 0.000 1.021 3456 S CB 0.978 64.105 63.200 -0.123 0.000 0.887 3456 S HN 0.217 nan 8.310 nan 0.000 0.542 3457 S N 0.292 115.977 115.700 -0.024 0.000 2.568 3457 S HA 0.005 4.480 4.470 0.008 0.000 0.282 3457 S C 0.796 175.306 174.600 -0.149 0.000 1.338 3457 S CA -0.566 57.616 58.200 -0.029 0.000 1.045 3457 S CB 0.120 63.367 63.200 0.078 0.000 0.873 3457 S HN 0.612 nan 8.310 nan 0.000 0.516 3458 D N 3.670 124.018 120.400 -0.087 0.000 2.264 3458 D HA -0.075 4.570 4.640 0.008 0.000 0.208 3458 D C 1.582 177.793 176.300 -0.149 0.000 0.966 3458 D CA 1.236 55.171 54.000 -0.109 0.000 0.864 3458 D CB -0.034 40.733 40.800 -0.055 0.000 0.933 3458 D HN 0.636 nan 8.370 nan 0.000 0.499 3459 M N 0.178 119.700 119.600 -0.130 0.000 2.557 3459 M HA -0.044 4.441 4.480 0.008 0.000 0.259 3459 M C 1.090 177.106 176.300 -0.473 0.000 1.086 3459 M CA 0.507 55.749 55.300 -0.097 0.000 1.096 3459 M CB 0.114 32.834 32.600 0.200 0.000 1.424 3459 M HN -0.239 nan 8.290 nan 0.000 0.488 3460 K N 2.386 122.205 120.400 -0.969 0.000 2.276 3460 K HA 0.265 4.590 4.320 0.008 0.000 0.285 3460 K C -2.475 173.705 176.600 -0.701 0.000 1.062 3460 K CA -1.744 53.624 56.287 -1.531 0.000 0.918 3460 K CB 0.850 32.489 32.500 -1.436 0.000 1.055 3460 K HN -0.158 nan 8.250 nan 0.000 0.477 3461 P HA -0.032 nan 4.420 nan 0.000 0.266 3461 P C 0.064 177.231 177.300 -0.222 0.000 1.193 3461 P CA -0.188 62.752 63.100 -0.267 0.000 0.770 3461 P CB 0.552 32.153 31.700 -0.165 0.000 0.836 3462 K N 0.953 121.256 120.400 -0.161 0.000 2.280 3462 K HA -0.080 4.245 4.320 0.008 0.000 0.202 3462 K C 1.518 178.048 176.600 -0.115 0.000 1.047 3462 K CA 1.701 57.904 56.287 -0.141 0.000 0.942 3462 K CB -1.033 31.398 32.500 -0.115 0.000 0.739 3462 K HN 0.619 nan 8.250 nan 0.000 0.457 3463 T N -2.048 112.453 114.554 -0.090 0.000 3.129 3463 T HA 0.082 4.437 4.350 0.008 0.000 0.251 3463 T C 0.806 175.483 174.700 -0.038 0.000 1.117 3463 T CA -0.237 61.830 62.100 -0.056 0.000 1.034 3463 T CB -0.043 68.808 68.868 -0.029 0.000 0.968 3463 T HN -0.231 nan 8.240 nan 0.000 0.526 3464 V N 2.702 122.583 119.914 -0.056 0.000 2.405 3464 V HA 0.398 4.522 4.120 0.008 0.000 0.264 3464 V C -0.003 176.089 176.094 -0.003 0.000 1.048 3464 V CA -0.530 61.765 62.300 -0.008 0.000 0.966 3464 V CB -0.020 31.797 31.823 -0.011 0.000 1.015 3464 V HN 0.471 nan 8.190 nan 0.000 0.477 3465 I N 3.744 124.333 120.570 0.031 0.000 2.465 3465 I HA 0.635 4.810 4.170 0.008 0.000 0.291 3465 I C 0.946 177.133 176.117 0.117 0.000 1.014 3465 I CA -0.430 60.893 61.300 0.039 0.000 1.093 3465 I CB 1.821 39.821 38.000 0.000 0.000 1.267 3465 I HN 0.760 nan 8.210 nan 0.000 0.431 3466 G N 3.611 112.523 108.800 0.186 0.000 2.212 3466 G HA2 -0.237 3.728 3.960 0.008 0.000 0.255 3466 G HA3 -0.237 3.728 3.960 0.008 0.000 0.255 3466 G C -0.201 174.836 174.900 0.229 0.000 1.062 3466 G CA 0.004 45.267 45.100 0.272 0.000 0.815 3466 G HN 0.725 nan 8.290 nan 0.000 0.497 3467 D N -0.757 119.778 120.400 0.225 0.000 2.363 3467 D HA 0.340 4.985 4.640 0.008 0.000 0.240 3467 D C 0.921 177.371 176.300 0.250 0.000 1.236 3467 D CA -0.320 53.826 54.000 0.244 0.000 0.927 3467 D CB 0.323 41.295 40.800 0.287 0.000 1.150 3467 D HN 0.364 nan 8.370 nan 0.000 0.458 3468 H N -0.494 118.666 119.070 0.150 0.000 2.964 3468 H HA 0.320 4.880 4.556 0.008 0.000 0.328 3468 H C 1.366 176.823 175.328 0.215 0.000 1.030 3468 H CA 1.726 57.839 56.048 0.108 0.000 1.445 3468 H CB 0.270 30.096 29.762 0.106 0.000 1.449 3468 H HN 0.585 nan 8.280 nan 0.000 0.581 3469 G N 4.144 112.760 108.800 -0.307 0.000 2.205 3469 G HA2 -0.362 3.603 3.960 0.008 0.000 0.261 3469 G HA3 -0.362 3.603 3.960 0.008 0.000 0.261 3469 G C 1.244 176.049 174.900 -0.159 0.000 0.980 3469 G CA 0.587 45.476 45.100 -0.353 0.000 0.632 3469 G HN 0.663 nan 8.290 nan 0.000 0.533 3470 D N 0.995 121.425 120.400 0.050 0.000 2.228 3470 D HA -0.064 4.581 4.640 0.008 0.000 0.203 3470 D C 2.414 178.653 176.300 -0.102 0.000 0.988 3470 D CA 1.440 55.566 54.000 0.210 0.000 0.864 3470 D CB -0.038 40.951 40.800 0.315 0.000 0.928 3470 D HN 0.751 nan 8.370 nan 0.000 0.469 3471 E N 0.908 120.697 120.200 -0.685 0.000 2.358 3471 E HA -0.113 4.242 4.350 0.008 0.000 0.195 3471 E C 2.038 178.304 176.600 -0.557 0.000 1.010 3471 E CA 0.176 55.839 56.400 -1.228 0.000 0.856 3471 E CB -0.591 28.349 29.700 -1.266 0.000 0.795 3471 E HN 0.336 nan 8.360 nan 0.000 0.504 3472 L N -0.171 120.790 121.223 -0.437 0.000 2.187 3472 L HA -0.108 4.237 4.340 0.008 0.000 0.213 3472 L C 2.119 178.761 176.870 -0.380 0.000 1.100 3472 L CA 1.187 55.773 54.840 -0.424 0.000 0.765 3472 L CB -0.534 41.162 42.059 -0.605 0.000 0.904 3472 L HN 0.030 nan 8.230 nan 0.000 0.437 3473 F N -1.211 118.709 119.950 -0.050 0.000 2.416 3473 F HA -0.057 4.475 4.527 0.009 0.000 0.296 3473 F C 2.549 178.364 175.800 0.025 0.000 1.099 3473 F CA 0.609 58.625 58.000 0.027 0.000 1.427 3473 F CB -0.388 38.737 39.000 0.208 0.000 1.079 3473 F HN -0.065 nan 8.300 nan 0.000 0.536 3474 S N -0.014 115.749 115.700 0.104 0.000 2.371 3474 S HA -0.079 4.396 4.470 0.008 0.000 0.221 3474 S C 2.265 176.731 174.600 -0.224 0.000 1.036 3474 S CA 0.949 59.146 58.200 -0.005 0.000 0.965 3474 S CB -0.468 62.741 63.200 0.016 0.000 0.845 3474 S HN 0.110 nan 8.310 nan 0.000 0.475 3475 V N 0.719 120.373 119.914 -0.434 0.000 2.407 3475 V HA -0.087 4.038 4.120 0.008 0.000 0.248 3475 V C 1.309 177.035 176.094 -0.613 0.000 1.055 3475 V CA 1.552 63.433 62.300 -0.698 0.000 1.049 3475 V CB -0.673 30.645 31.823 -0.843 0.000 0.662 3475 V HN 0.449 nan 8.190 nan 0.000 0.455 3476 F N 0.454 120.230 119.950 -0.290 0.000 2.660 3476 F HA 0.462 4.994 4.527 0.008 0.000 0.297 3476 F C 1.625 177.337 175.800 -0.146 0.000 1.132 3476 F CA 0.303 58.156 58.000 -0.245 0.000 1.372 3476 F CB -0.185 38.627 39.000 -0.313 0.000 1.003 3476 F HN 0.238 nan 8.300 nan 0.000 0.524 3477 G N 1.237 110.046 108.800 0.016 0.000 2.395 3477 G HA2 -0.283 3.682 3.960 0.008 0.000 0.292 3477 G HA3 -0.283 3.682 3.960 0.008 0.000 0.292 3477 G C 1.138 176.190 174.900 0.254 0.000 0.953 3477 G CA 0.392 45.580 45.100 0.147 0.000 1.207 3477 G HN 0.580 nan 8.290 nan 0.000 0.503 3478 A N 0.142 123.064 122.820 0.171 0.000 2.066 3478 A HA 0.235 4.560 4.320 0.008 0.000 0.218 3478 A C 0.491 178.093 177.584 0.031 0.000 1.157 3478 A CA 1.625 53.647 52.037 -0.025 0.000 0.670 3478 A CB -0.292 18.562 19.000 -0.243 0.000 0.804 3478 A HN 0.471 nan 8.150 nan 0.000 0.453 3479 P HA -0.029 nan 4.420 nan 0.000 0.234 3479 P C 0.195 177.388 177.300 -0.177 0.000 1.167 3479 P CA 0.785 63.961 63.100 0.126 0.000 0.763 3479 P CB -0.063 31.631 31.700 -0.011 0.000 0.835 3480 F N -2.787 117.224 119.950 0.102 0.000 2.682 3480 F HA 0.282 4.814 4.527 0.008 0.000 0.308 3480 F C 1.568 177.432 175.800 0.107 0.000 1.093 3480 F CA 0.243 58.325 58.000 0.136 0.000 1.244 3480 F CB -0.183 38.946 39.000 0.216 0.000 1.052 3480 F HN -0.182 nan 8.300 nan 0.000 0.573 3481 L N -1.437 119.900 121.223 0.190 0.000 2.663 3481 L HA 0.228 4.573 4.340 0.008 0.000 0.218 3481 L C 0.975 177.873 176.870 0.046 0.000 1.043 3481 L CA 0.213 55.115 54.840 0.104 0.000 0.876 3481 L CB 0.220 42.312 42.059 0.055 0.000 1.263 3481 L HN -0.214 nan 8.230 nan 0.000 0.486 3482 K N 0.312 120.712 120.400 0.000 0.000 2.520 3482 K HA 0.367 4.692 4.320 0.008 0.000 0.256 3482 K C -0.475 176.195 176.600 0.118 0.000 1.033 3482 K CA -0.595 55.700 56.287 0.014 0.000 1.007 3482 K CB 0.741 33.162 32.500 -0.132 0.000 1.330 3482 K HN -0.043 nan 8.250 nan 0.000 0.507 3483 E N -1.084 119.216 120.200 0.167 0.000 2.339 3483 E HA 0.368 4.723 4.350 0.008 0.000 0.262 3483 E C 0.116 176.809 176.600 0.154 0.000 0.934 3483 E CA -0.835 55.644 56.400 0.133 0.000 0.802 3483 E CB 1.590 31.334 29.700 0.072 0.000 1.275 3483 E HN 0.773 nan 8.360 nan 0.000 0.427 3484 G N -0.162 108.666 108.800 0.048 0.000 2.176 3484 G HA2 -0.266 3.698 3.960 0.008 0.000 0.253 3484 G HA3 -0.266 3.698 3.960 0.008 0.000 0.253 3484 G C 0.278 175.107 174.900 -0.117 0.000 0.979 3484 G CA 0.025 45.106 45.100 -0.032 0.000 0.641 3484 G HN 0.756 nan 8.290 nan 0.000 0.530 3485 A N 0.614 123.386 122.820 -0.080 0.000 2.409 3485 A HA 0.743 5.068 4.320 0.008 0.000 0.262 3485 A C 1.128 178.644 177.584 -0.114 0.000 1.113 3485 A CA 0.946 52.897 52.037 -0.143 0.000 0.790 3485 A CB 0.360 19.341 19.000 -0.032 0.000 1.046 3485 A HN 1.917 nan 8.150 nan 0.000 0.496 3486 S N 1.733 117.363 115.700 -0.117 0.000 2.625 3486 S HA 0.169 4.644 4.470 0.008 0.000 0.258 3486 S C 0.602 175.158 174.600 -0.073 0.000 1.256 3486 S CA -0.039 58.112 58.200 -0.080 0.000 0.983 3486 S CB 0.335 63.499 63.200 -0.060 0.000 1.032 3486 S HN 0.666 nan 8.310 nan 0.000 0.572 3487 E N 0.110 120.276 120.200 -0.056 0.000 2.385 3487 E HA -0.008 4.347 4.350 0.008 0.000 0.194 3487 E C 1.802 178.374 176.600 -0.048 0.000 1.013 3487 E CA 0.572 56.940 56.400 -0.054 0.000 0.866 3487 E CB -0.162 29.515 29.700 -0.039 0.000 0.832 3487 E HN 0.883 nan 8.360 nan 0.000 0.500 3488 E N 1.232 121.410 120.200 -0.037 0.000 2.122 3488 E HA -0.119 4.236 4.350 0.008 0.000 0.190 3488 E C 1.854 178.413 176.600 -0.068 0.000 0.977 3488 E CA 0.574 56.954 56.400 -0.033 0.000 0.820 3488 E CB 0.135 29.841 29.700 0.010 0.000 0.770 3488 E HN 0.125 nan 8.360 nan 0.000 0.462 3489 E N 0.233 120.406 120.200 -0.046 0.000 2.152 3489 E HA -0.112 4.242 4.350 0.008 0.000 0.192 3489 E C 2.007 178.564 176.600 -0.071 0.000 0.983 3489 E CA 0.795 57.154 56.400 -0.069 0.000 0.818 3489 E CB 0.070 29.768 29.700 -0.004 0.000 0.758 3489 E HN 0.376 nan 8.360 nan 0.000 0.467 3490 I N 0.182 120.698 120.570 -0.089 0.000 2.202 3490 I HA -0.234 3.941 4.170 0.008 0.000 0.242 3490 I C 2.620 178.737 176.117 -0.000 0.000 1.091 3490 I CA 0.863 62.089 61.300 -0.122 0.000 1.368 3490 I CB -0.230 37.635 38.000 -0.225 0.000 1.058 3490 I HN 0.014 nan 8.210 nan 0.000 0.410 3491 R N 0.354 120.835 120.500 -0.031 0.000 2.083 3491 R HA -0.214 4.131 4.340 0.008 0.000 0.237 3491 R C 2.300 178.563 176.300 -0.062 0.000 1.137 3491 R CA 1.511 57.595 56.100 -0.027 0.000 0.951 3491 R CB -0.495 29.777 30.300 -0.047 0.000 0.851 3491 R HN 0.221 nan 8.270 nan 0.000 0.434 3492 L N 0.331 121.483 121.223 -0.118 0.000 2.083 3492 L HA -0.128 4.217 4.340 0.008 0.000 0.209 3492 L C 2.185 178.990 176.870 -0.108 0.000 1.083 3492 L CA 1.898 56.633 54.840 -0.176 0.000 0.752 3492 L CB -0.771 41.069 42.059 -0.365 0.000 0.899 3492 L HN 0.021 nan 8.230 nan 0.000 0.433 3493 S N -0.987 114.694 115.700 -0.030 0.000 2.383 3493 S HA -0.211 4.264 4.470 0.008 0.000 0.227 3493 S C 2.165 176.749 174.600 -0.028 0.000 1.026 3493 S CA 1.373 59.591 58.200 0.030 0.000 0.981 3493 S CB -0.264 63.063 63.200 0.212 0.000 0.818 3493 S HN 0.539 nan 8.310 nan 0.000 0.472 3494 K N 0.199 120.610 120.400 0.018 0.000 2.217 3494 K HA 0.036 4.361 4.320 0.008 0.000 0.202 3494 K C 2.219 178.738 176.600 -0.136 0.000 1.051 3494 K CA 0.954 57.186 56.287 -0.092 0.000 0.952 3494 K CB -0.172 32.336 32.500 0.014 0.000 0.736 3494 K HN 0.460 nan 8.250 nan 0.000 0.453 3495 M N 0.127 119.642 119.600 -0.142 0.000 2.123 3495 M HA -0.136 4.349 4.480 0.008 0.000 0.263 3495 M C 1.725 177.884 176.300 -0.234 0.000 1.069 3495 M CA 1.311 56.462 55.300 -0.249 0.000 1.133 3495 M CB 0.162 32.628 32.600 -0.223 0.000 1.356 3495 M HN -0.037 nan 8.290 nan 0.000 0.415 3496 V N 1.033 120.876 119.914 -0.118 0.000 2.307 3496 V HA -0.306 3.819 4.120 0.008 0.000 0.245 3496 V C 2.452 178.478 176.094 -0.113 0.000 1.045 3496 V CA 1.927 64.168 62.300 -0.099 0.000 1.024 3496 V CB -0.599 30.985 31.823 -0.400 0.000 0.651 3496 V HN 0.548 nan 8.190 nan 0.000 0.449 3497 M N -0.897 118.581 119.600 -0.203 0.000 2.106 3497 M HA -0.229 4.256 4.480 0.008 0.000 0.259 3497 M C 2.378 178.677 176.300 -0.002 0.000 1.068 3497 M CA 1.834 57.036 55.300 -0.163 0.000 1.100 3497 M CB -0.532 31.926 32.600 -0.236 0.000 1.351 3497 M HN 0.191 nan 8.290 nan 0.000 0.404 3498 K N -0.057 120.322 120.400 -0.036 0.000 2.057 3498 K HA -0.103 4.221 4.320 0.008 0.000 0.207 3498 K C 1.848 178.545 176.600 0.161 0.000 1.049 3498 K CA 1.564 57.850 56.287 -0.002 0.000 0.931 3498 K CB -0.399 32.025 32.500 -0.128 0.000 0.714 3498 K HN 0.338 nan 8.250 nan 0.000 0.440 3499 F N -0.282 119.809 119.950 0.236 0.000 2.046 3499 F HA -0.266 4.266 4.527 0.008 0.000 0.297 3499 F C 2.526 178.553 175.800 0.379 0.000 1.123 3499 F CA 0.748 58.974 58.000 0.377 0.000 1.199 3499 F CB -0.298 39.086 39.000 0.639 0.000 0.972 3499 F HN 0.237 nan 8.300 nan 0.000 0.474 3500 W N 0.047 121.468 121.300 0.202 0.000 2.325 3500 W HA -0.271 4.394 4.660 0.008 0.000 0.299 3500 W C 2.505 179.029 176.519 0.009 0.000 1.215 3500 W CA 0.907 58.266 57.345 0.023 0.000 1.244 3500 W CB -0.440 28.958 29.460 -0.103 0.000 1.140 3500 W HN 0.041 nan 8.180 nan 0.000 0.523 3501 A N 0.186 123.151 122.820 0.242 0.000 1.930 3501 A HA -0.155 4.170 4.320 0.008 0.000 0.215 3501 A C 1.705 179.356 177.584 0.112 0.000 1.176 3501 A CA 1.298 53.407 52.037 0.120 0.000 0.632 3501 A CB -0.900 18.148 19.000 0.080 0.000 0.819 3501 A HN 0.176 nan 8.150 nan 0.000 0.445 3502 N N -0.729 118.062 118.700 0.153 0.000 2.149 3502 N HA -0.150 4.595 4.740 0.008 0.000 0.188 3502 N C 1.352 176.911 175.510 0.082 0.000 1.019 3502 N CA 1.376 54.497 53.050 0.118 0.000 0.857 3502 N CB -0.553 38.033 38.487 0.165 0.000 0.997 3502 N HN 0.528 nan 8.380 nan 0.000 0.426 3503 F N 1.691 121.586 119.950 -0.091 0.000 2.146 3503 F HA 0.012 4.544 4.527 0.008 0.000 0.298 3503 F C 2.215 177.937 175.800 -0.130 0.000 1.096 3503 F CA 0.987 58.867 58.000 -0.201 0.000 1.275 3503 F CB -0.451 38.337 39.000 -0.354 0.000 1.008 3503 F HN 0.018 nan 8.300 nan 0.000 0.480 3504 A N 1.103 123.941 122.820 0.031 0.000 1.986 3504 A HA -0.243 4.082 4.320 0.008 0.000 0.220 3504 A C 2.251 179.789 177.584 -0.076 0.000 1.171 3504 A CA 2.225 54.241 52.037 -0.035 0.000 0.640 3504 A CB -0.697 18.302 19.000 -0.003 0.000 0.811 3504 A HN 0.623 nan 8.150 nan 0.000 0.451 3505 R N -2.756 117.705 120.500 -0.066 0.000 2.221 3505 R HA 0.211 4.556 4.340 0.008 0.000 0.195 3505 R C 0.738 176.981 176.300 -0.095 0.000 0.956 3505 R CA 0.636 56.699 56.100 -0.062 0.000 1.064 3505 R CB -0.148 30.143 30.300 -0.016 0.000 1.049 3505 R HN 0.310 nan 8.270 nan 0.000 0.534 3506 N N 0.524 119.156 118.700 -0.113 0.000 2.205 3506 N HA 0.083 4.828 4.740 0.008 0.000 0.201 3506 N C 0.646 176.043 175.510 -0.189 0.000 1.128 3506 N CA 0.875 53.861 53.050 -0.107 0.000 0.867 3506 N CB 1.438 39.901 38.487 -0.039 0.000 0.996 3506 N HN 0.510 nan 8.380 nan 0.000 0.503 3507 G N 1.629 110.178 108.800 -0.419 0.000 2.175 3507 G HA2 -0.284 3.681 3.960 0.008 0.000 0.265 3507 G HA3 -0.284 3.681 3.960 0.008 0.000 0.265 3507 G C 0.047 174.727 174.900 -0.367 0.000 0.979 3507 G CA 0.455 45.160 45.100 -0.657 0.000 0.663 3507 G HN 0.461 nan 8.290 nan 0.000 0.533 3508 N N -0.342 118.242 118.700 -0.192 0.000 2.500 3508 N HA 0.371 5.116 4.740 0.008 0.000 0.291 3508 N C -1.112 174.323 175.510 -0.124 0.000 1.092 3508 N CA -1.472 51.503 53.050 -0.123 0.000 0.890 3508 N CB 2.249 40.764 38.487 0.047 0.000 1.466 3508 N HN -0.024 nan 8.380 nan 0.000 0.507 3509 P HA -0.128 nan 4.420 nan 0.000 0.218 3509 P C -0.049 177.387 177.300 0.226 0.000 1.148 3509 P CA 0.782 63.791 63.100 -0.152 0.000 0.822 3509 P CB 0.269 31.494 31.700 -0.792 0.000 0.784 3510 N N 0.741 119.540 118.700 0.166 0.000 2.305 3510 N HA 0.191 4.936 4.740 0.008 0.000 0.232 3510 N C 0.928 176.601 175.510 0.272 0.000 1.274 3510 N CA 1.452 54.704 53.050 0.335 0.000 0.870 3510 N CB 0.158 38.816 38.487 0.285 0.000 1.105 3510 N HN 0.204 nan 8.380 nan 0.000 0.436 3511 G N -0.379 108.579 108.800 0.263 0.000 2.387 3511 G HA2 0.179 4.144 3.960 0.008 0.000 0.294 3511 G HA3 0.179 4.144 3.960 0.008 0.000 0.294 3511 G C -1.337 173.642 174.900 0.132 0.000 1.509 3511 G CA -0.800 44.399 45.100 0.165 0.000 0.806 3511 G HN 0.600 nan 8.290 nan 0.000 0.546 3512 E N -0.538 119.717 120.200 0.092 0.000 2.442 3512 E HA 0.376 4.731 4.350 0.008 0.000 0.262 3512 E C 1.080 177.708 176.600 0.047 0.000 1.004 3512 E CA 0.392 56.834 56.400 0.071 0.000 0.928 3512 E CB 0.699 30.430 29.700 0.053 0.000 0.937 3512 E HN 2.204 nan 8.360 nan 0.000 0.446 3513 G N 2.512 111.338 108.800 0.042 0.000 2.147 3513 G HA2 -0.250 3.715 3.960 0.008 0.000 0.244 3513 G HA3 -0.250 3.715 3.960 0.008 0.000 0.244 3513 G C -0.206 174.685 174.900 -0.015 0.000 1.005 3513 G CA 0.327 45.436 45.100 0.014 0.000 0.713 3513 G HN 0.425 nan 8.290 nan 0.000 0.515 3514 L N 0.421 121.657 121.223 0.021 0.000 2.445 3514 L HA 0.515 4.860 4.340 0.008 0.000 0.262 3514 L C -1.805 175.168 176.870 0.171 0.000 0.974 3514 L CA -2.314 52.518 54.840 -0.013 0.000 0.822 3514 L CB 2.380 44.310 42.059 -0.215 0.000 1.339 3514 L HN -0.032 nan 8.230 nan 0.000 0.409 3515 P HA -0.065 nan 4.420 nan 0.000 0.267 3515 P C -0.871 176.657 177.300 0.380 0.000 1.201 3515 P CA -0.028 63.221 63.100 0.247 0.000 0.775 3515 P CB 0.469 32.281 31.700 0.186 0.000 0.854 3516 H N 1.549 120.749 119.070 0.217 0.000 2.732 3516 H HA 0.176 4.737 4.556 0.008 0.000 0.351 3516 H C -0.981 174.520 175.328 0.287 0.000 1.090 3516 H CA 0.272 56.471 56.048 0.251 0.000 1.431 3516 H CB 0.234 30.101 29.762 0.175 0.000 1.447 3516 H HN 0.405 nan 8.280 nan 0.000 0.582 3517 W N 9.322 130.301 121.300 -0.535 0.000 2.413 3517 W HA 0.309 4.974 4.660 0.008 0.000 0.308 3517 W C -2.785 173.484 176.519 -0.418 0.000 0.997 3517 W CA -3.209 53.918 57.345 -0.364 0.000 1.447 3517 W CB 0.674 29.931 29.460 -0.337 0.000 1.263 3517 W HN 0.564 nan 8.180 nan 0.000 0.416 3518 P HA -0.033 nan 4.420 nan 0.000 0.269 3518 P C -0.009 177.353 177.300 0.104 0.000 1.209 3518 P CA 0.468 63.641 63.100 0.123 0.000 0.776 3518 P CB 1.242 33.056 31.700 0.189 0.000 0.876 3519 E N 1.488 121.647 120.200 -0.069 0.000 2.383 3519 E HA -0.049 4.306 4.350 0.008 0.000 0.264 3519 E C -0.697 175.813 176.600 -0.150 0.000 1.050 3519 E CA -0.401 55.747 56.400 -0.421 0.000 0.896 3519 E CB 0.211 29.721 29.700 -0.318 0.000 0.982 3519 E HN 0.377 nan 8.360 nan 0.000 0.424 3520 Y N 5.452 125.561 120.300 -0.318 0.000 2.724 3520 Y HA 0.047 4.602 4.550 0.008 0.000 0.354 3520 Y C -0.163 175.690 175.900 -0.077 0.000 1.270 3520 Y CA -0.582 57.455 58.100 -0.105 0.000 1.902 3520 Y CB -0.946 37.474 38.460 -0.067 0.000 1.981 3520 Y HN 0.433 nan 8.280 nan 0.000 0.428 3521 N N -0.664 117.897 118.700 -0.232 0.000 2.452 3521 N HA 0.035 4.780 4.740 0.008 0.000 0.296 3521 N C 0.940 176.268 175.510 -0.303 0.000 1.304 3521 N CA -0.337 52.582 53.050 -0.218 0.000 0.956 3521 N CB 0.216 38.631 38.487 -0.119 0.000 1.106 3521 N HN 0.157 nan 8.380 nan 0.000 0.555 3522 Q N -0.397 119.290 119.800 -0.189 0.000 2.248 3522 Q HA -0.117 4.228 4.340 0.008 0.000 0.208 3522 Q C 1.047 176.958 176.000 -0.147 0.000 0.984 3522 Q CA 1.489 57.194 55.803 -0.163 0.000 0.875 3522 Q CB -0.355 28.328 28.738 -0.092 0.000 0.910 3522 Q HN 0.638 nan 8.270 nan 0.000 0.433 3523 K N 0.374 120.703 120.400 -0.119 0.000 2.432 3523 K HA -0.030 4.295 4.320 0.008 0.000 0.196 3523 K C -0.013 176.550 176.600 -0.062 0.000 1.038 3523 K CA 0.072 56.322 56.287 -0.061 0.000 0.986 3523 K CB 0.214 32.702 32.500 -0.021 0.000 0.782 3523 K HN 0.195 nan 8.250 nan 0.000 0.485 3524 E N 0.062 120.138 120.200 -0.208 0.000 2.320 3524 E HA -0.145 4.210 4.350 0.008 0.000 0.234 3524 E C -0.126 176.619 176.600 0.243 0.000 1.183 3524 E CA 0.093 56.346 56.400 -0.246 0.000 0.713 3524 E CB -1.638 27.994 29.700 -0.114 0.000 1.226 3524 E HN 0.517 nan 8.360 nan 0.000 0.382 3525 G N 1.152 110.076 108.800 0.206 0.000 2.403 3525 G HA2 0.403 4.368 3.960 0.008 0.000 0.259 3525 G HA3 0.403 4.368 3.960 0.008 0.000 0.259 3525 G C -0.395 174.782 174.900 0.462 0.000 1.244 3525 G CA -0.101 45.156 45.100 0.262 0.000 0.849 3525 G HN 0.308 nan 8.290 nan 0.000 0.532 3526 Y N 0.823 121.277 120.300 0.256 0.000 2.534 3526 Y HA 0.648 5.203 4.550 0.008 0.000 0.345 3526 Y C -1.101 174.850 175.900 0.085 0.000 1.031 3526 Y CA -1.959 56.291 58.100 0.251 0.000 1.022 3526 Y CB 1.551 40.114 38.460 0.171 0.000 1.292 3526 Y HN 0.493 nan 8.280 nan 0.000 0.459 3527 L N 3.603 124.781 121.223 -0.074 0.000 2.331 3527 L HA 0.373 4.718 4.340 0.008 0.000 0.278 3527 L C -0.492 176.259 176.870 -0.199 0.000 1.106 3527 L CA -0.016 54.526 54.840 -0.497 0.000 0.824 3527 L CB 1.184 42.333 42.059 -1.517 0.000 1.142 3527 L HN 0.803 nan 8.230 nan 0.000 0.443 3528 Q N 6.126 125.810 119.800 -0.194 0.000 2.390 3528 Q HA 0.425 4.770 4.340 0.008 0.000 0.249 3528 Q C -0.966 174.957 176.000 -0.128 0.000 0.996 3528 Q CA -0.138 55.641 55.803 -0.041 0.000 0.899 3528 Q CB 1.154 29.869 28.738 -0.038 0.000 1.216 3528 Q HN 0.595 nan 8.270 nan 0.000 0.465 3529 I N 1.855 122.342 120.570 -0.137 0.000 2.331 3529 I HA 0.640 4.815 4.170 0.008 0.000 0.292 3529 I C 0.718 176.594 176.117 -0.401 0.000 0.998 3529 I CA -0.225 60.922 61.300 -0.255 0.000 1.267 3529 I CB 1.334 39.181 38.000 -0.255 0.000 1.386 3529 I HN 0.701 nan 8.210 nan 0.000 0.476 3530 G N 3.160 111.746 108.800 -0.356 0.000 2.435 3530 G HA2 0.406 4.371 3.960 0.008 0.000 0.296 3530 G HA3 0.406 4.371 3.960 0.008 0.000 0.296 3530 G C 0.289 175.054 174.900 -0.225 0.000 1.240 3530 G CA 0.057 44.953 45.100 -0.340 0.000 0.872 3530 G HN 0.542 nan 8.290 nan 0.000 0.480 3531 A N -0.605 122.185 122.820 -0.049 0.000 1.940 3531 A HA 0.086 4.411 4.320 0.008 0.000 0.219 3531 A C 0.991 178.543 177.584 -0.052 0.000 1.176 3531 A CA 1.557 53.586 52.037 -0.013 0.000 0.631 3531 A CB -0.663 18.399 19.000 0.105 0.000 0.814 3531 A HN 0.558 nan 8.150 nan 0.000 0.446 3532 N N -0.938 117.732 118.700 -0.050 0.000 2.321 3532 N HA 0.468 5.213 4.740 0.008 0.000 0.299 3532 N C -1.569 173.901 175.510 -0.067 0.000 1.048 3532 N CA -0.322 52.700 53.050 -0.046 0.000 0.836 3532 N CB 1.707 40.179 38.487 -0.026 0.000 1.269 3532 N HN 0.012 nan 8.380 nan 0.000 0.486 3533 T N 2.230 116.751 114.554 -0.056 0.000 2.892 3533 T HA 0.348 4.703 4.350 0.008 0.000 0.311 3533 T C -1.071 173.604 174.700 -0.041 0.000 1.033 3533 T CA -0.759 61.303 62.100 -0.063 0.000 0.991 3533 T CB 0.978 69.823 68.868 -0.038 0.000 0.981 3533 T HN 0.426 nan 8.240 nan 0.000 0.457 3534 Q N 1.466 121.224 119.800 -0.069 0.000 2.359 3534 Q HA 0.790 5.135 4.340 0.008 0.000 0.274 3534 Q C -0.516 175.412 176.000 -0.121 0.000 1.074 3534 Q CA -0.939 54.829 55.803 -0.058 0.000 0.810 3534 Q CB 1.295 30.009 28.738 -0.040 0.000 1.342 3534 Q HN 0.717 nan 8.270 nan 0.000 0.427 3535 A N 1.184 123.946 122.820 -0.096 0.000 2.448 3535 A HA 0.726 5.051 4.320 0.008 0.000 0.239 3535 A C -0.147 177.293 177.584 -0.240 0.000 1.080 3535 A CA 0.676 52.619 52.037 -0.157 0.000 0.779 3535 A CB -0.006 18.983 19.000 -0.019 0.000 1.026 3535 A HN 1.009 nan 8.150 nan 0.000 0.499 3536 A N 0.163 122.711 122.820 -0.453 0.000 2.535 3536 A HA 0.762 5.087 4.320 0.008 0.000 0.296 3536 A C -0.814 176.525 177.584 -0.407 0.000 1.248 3536 A CA -0.584 51.149 52.037 -0.508 0.000 0.686 3536 A CB 0.964 19.483 19.000 -0.803 0.000 1.315 3536 A HN 0.870 nan 8.150 nan 0.000 0.460 3537 Q N -0.344 119.424 119.800 -0.054 0.000 2.501 3537 Q HA 0.547 4.891 4.340 0.008 0.000 0.288 3537 Q C -1.536 174.744 176.000 0.467 0.000 1.051 3537 Q CA -1.091 54.862 55.803 0.249 0.000 0.788 3537 Q CB 2.028 30.843 28.738 0.129 0.000 1.469 3537 Q HN 0.624 nan 8.270 nan 0.000 0.416 3538 K N 0.995 121.623 120.400 0.381 0.000 4.007 3538 K HA -0.213 4.112 4.320 0.008 0.000 0.279 3538 K C -0.867 175.852 176.600 0.197 0.000 0.919 3538 K CA 0.033 56.472 56.287 0.254 0.000 0.800 3538 K CB -1.308 31.288 32.500 0.160 0.000 1.572 3538 K HN 0.434 nan 8.250 nan 0.000 0.443 3539 L N 2.287 123.519 121.223 0.015 0.000 2.361 3539 L HA 0.086 4.431 4.340 0.008 0.000 0.278 3539 L C 0.618 177.410 176.870 -0.130 0.000 1.113 3539 L CA 0.423 55.029 54.840 -0.389 0.000 0.849 3539 L CB 0.435 41.861 42.059 -1.054 0.000 1.155 3539 L HN 0.354 nan 8.230 nan 0.000 0.452 3540 K N 2.668 123.036 120.400 -0.054 0.000 3.209 3540 K HA -0.275 4.050 4.320 0.008 0.000 0.289 3540 K C 0.948 177.596 176.600 0.079 0.000 1.191 3540 K CA 1.140 57.445 56.287 0.030 0.000 0.851 3540 K CB -1.316 31.197 32.500 0.022 0.000 1.242 3540 K HN 0.947 nan 8.250 nan 0.000 0.480 3541 D N 1.272 121.718 120.400 0.076 0.000 2.123 3541 D HA -0.162 4.483 4.640 0.008 0.000 0.196 3541 D C 1.464 177.824 176.300 0.099 0.000 0.992 3541 D CA 1.326 55.382 54.000 0.094 0.000 0.833 3541 D CB 0.423 41.276 40.800 0.089 0.000 0.954 3541 D HN 0.233 nan 8.370 nan 0.000 0.455 3542 K N 0.467 120.918 120.400 0.085 0.000 2.062 3542 K HA -0.086 4.239 4.320 0.008 0.000 0.205 3542 K C 2.234 178.909 176.600 0.126 0.000 1.051 3542 K CA 0.800 57.132 56.287 0.075 0.000 0.941 3542 K CB -0.428 32.087 32.500 0.025 0.000 0.719 3542 K HN 0.202 nan 8.250 nan 0.000 0.440 3543 E N 0.798 121.102 120.200 0.173 0.000 2.077 3543 E HA -0.104 4.251 4.350 0.008 0.000 0.193 3543 E C 2.107 178.982 176.600 0.458 0.000 0.989 3543 E CA 0.747 57.355 56.400 0.346 0.000 0.800 3543 E CB -0.412 29.549 29.700 0.435 0.000 0.746 3543 E HN -0.064 nan 8.360 nan 0.000 0.452 3544 V N 1.224 121.326 119.914 0.313 0.000 2.252 3544 V HA -0.341 3.784 4.120 0.008 0.000 0.249 3544 V C 2.270 178.506 176.094 0.238 0.000 1.056 3544 V CA 2.042 64.507 62.300 0.275 0.000 1.022 3544 V CB -0.992 30.936 31.823 0.174 0.000 0.641 3544 V HN 0.390 nan 8.190 nan 0.000 0.445 3545 A N -0.571 122.353 122.820 0.174 0.000 1.908 3545 A HA -0.273 4.052 4.320 0.008 0.000 0.218 3545 A C 2.129 179.773 177.584 0.101 0.000 1.181 3545 A CA 2.262 54.370 52.037 0.120 0.000 0.627 3545 A CB -0.746 18.310 19.000 0.092 0.000 0.818 3545 A HN 0.593 nan 8.150 nan 0.000 0.445 3546 F N -1.239 118.688 119.950 -0.037 0.000 2.146 3546 F HA -0.100 4.432 4.527 0.008 0.000 0.298 3546 F C 1.900 177.543 175.800 -0.263 0.000 1.096 3546 F CA 1.472 59.353 58.000 -0.197 0.000 1.275 3546 F CB -0.348 38.443 39.000 -0.347 0.000 1.008 3546 F HN 0.369 nan 8.300 nan 0.000 0.480 3547 W N 0.467 121.747 121.300 -0.033 0.000 2.441 3547 W HA -0.082 4.584 4.660 0.009 0.000 0.302 3547 W C 2.640 179.116 176.519 -0.072 0.000 1.191 3547 W CA 1.580 58.821 57.345 -0.173 0.000 1.327 3547 W CB -0.989 28.535 29.460 0.107 0.000 1.128 3547 W HN -0.204 nan 8.180 nan 0.000 0.522 3548 T N 0.480 115.183 114.554 0.249 0.000 2.665 3548 T HA -0.313 4.042 4.350 0.008 0.000 0.268 3548 T C 1.448 176.200 174.700 0.087 0.000 1.035 3548 T CA 1.963 64.177 62.100 0.190 0.000 1.151 3548 T CB -0.642 68.304 68.868 0.130 0.000 0.862 3548 T HN 0.121 nan 8.240 nan 0.000 0.438 3549 N N 1.052 119.731 118.700 -0.034 0.000 2.028 3549 N HA -0.075 4.670 4.740 0.008 0.000 0.194 3549 N C 1.818 177.231 175.510 -0.162 0.000 1.050 3549 N CA 1.203 54.197 53.050 -0.094 0.000 0.848 3549 N CB -0.804 37.605 38.487 -0.130 0.000 1.038 3549 N HN 0.209 nan 8.380 nan 0.000 0.423 3550 L N 0.110 121.082 121.223 -0.419 0.000 2.021 3550 L HA -0.099 4.246 4.340 0.008 0.000 0.215 3550 L C 1.879 178.638 176.870 -0.185 0.000 1.074 3550 L CA 1.727 56.281 54.840 -0.477 0.000 0.760 3550 L CB -1.217 40.223 42.059 -1.032 0.000 0.889 3550 L HN 0.327 nan 8.230 nan 0.000 0.433 3551 F N -0.608 119.310 119.950 -0.052 0.000 2.664 3551 F HA -0.031 4.501 4.527 0.009 0.000 0.297 3551 F C 1.736 177.539 175.800 0.004 0.000 1.164 3551 F CA 0.203 58.220 58.000 0.028 0.000 1.472 3551 F CB -0.212 38.830 39.000 0.071 0.000 1.108 3551 F HN 0.260 nan 8.300 nan 0.000 0.596 3552 A N 0.528 123.433 122.820 0.141 0.000 3.012 3552 A HA 0.314 4.639 4.320 0.008 0.000 0.295 3552 A C 0.237 177.849 177.584 0.047 0.000 1.338 3552 A CA -0.289 51.797 52.037 0.081 0.000 0.981 3552 A CB -0.352 18.676 19.000 0.048 0.000 1.091 3552 A HN 0.199 nan 8.150 nan 0.000 0.602 3553 K N 0.000 120.436 120.400 0.060 0.000 2.780 3553 K HA 0.000 4.325 4.320 0.008 0.000 0.191 3553 K CA 0.000 56.309 56.287 0.037 0.000 0.838 3553 K CB 0.000 32.504 32.500 0.006 0.000 1.064 3553 K HN 0.000 nan 8.250 nan 0.000 0.543