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 2zzx_1_D DATA FIRST_RESID 3033 DATA SEQUENCE RYRWRIQTAW DAGTVGYSLF QKFTERVKEL TDGQLEVQPF PAGAVVGTFD DATA SEQUENCE MFDAVKTGVL DGMNPFTLYW AGRMPVTAFL SSYALGLDRP DQWETWFYSL DATA SEQUENCE GGLDIARRAF AEQGLFYVGP VQHDLNIIHS KKPIRRFEDF KGVKLRVPGG DATA SEQUENCE MIAEVFAAAG ASTVLLPGGE VYPALERGVI DAADFVGPAV NYNLGFHQVA DATA SEQUENCE KYIIMGPPET PAIHQPVDLM DFTINLNRWR SLPKPLQERF IAAVHEYSWI DATA SEQUENCE HYAGIQKANL EAWPKYRQAG VEVIRLSNED VRKFRRLAIP IWFKWAKMDK DATA SEQUENCE YSREAFASQL EYMKGIGYVT DEELKGLSL 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 3033 R HA 0.000 nan 4.340 nan 0.000 0.208 3033 R C 0.000 175.938 176.300 -0.603 0.000 0.893 3033 R CA 0.000 55.876 56.100 -0.374 0.000 0.921 3033 R CB 0.000 30.062 30.300 -0.397 0.000 0.687 3034 Y N 1.225 121.407 120.300 -0.196 0.000 2.350 3034 Y HA 0.573 5.124 4.550 0.001 0.000 0.338 3034 Y C -0.526 175.198 175.900 -0.292 0.000 0.961 3034 Y CA -0.720 57.219 58.100 -0.268 0.000 1.100 3034 Y CB 1.859 40.060 38.460 -0.433 0.000 1.179 3034 Y HN -0.186 nan 8.280 nan 0.000 0.454 3035 R N 2.650 123.122 120.500 -0.046 0.000 2.480 3035 R HA 0.409 4.750 4.340 0.001 0.000 0.306 3035 R C -1.752 174.683 176.300 0.225 0.000 0.958 3035 R CA -0.763 55.348 56.100 0.017 0.000 0.861 3035 R CB 1.744 32.071 30.300 0.046 0.000 1.171 3035 R HN 0.545 nan 8.270 nan 0.000 0.445 3036 W N 2.289 123.630 121.300 0.068 0.000 2.702 3036 W HA 0.449 5.109 4.660 0.001 0.000 0.331 3036 W C 0.023 176.643 176.519 0.168 0.000 1.049 3036 W CA -1.190 56.210 57.345 0.093 0.000 1.230 3036 W CB 1.347 30.838 29.460 0.051 0.000 1.408 3036 W HN 0.293 nan 8.180 nan 0.000 0.492 3037 R N 3.211 123.958 120.500 0.412 0.000 2.207 3037 R HA 0.623 4.963 4.340 0.001 0.000 0.334 3037 R C -0.444 176.103 176.300 0.411 0.000 1.013 3037 R CA -0.480 55.898 56.100 0.464 0.000 0.858 3037 R CB 1.082 31.578 30.300 0.327 0.000 1.094 3037 R HN 0.341 nan 8.270 nan 0.000 0.457 3038 I N 2.347 123.255 120.570 0.563 0.000 2.466 3038 I HA 0.207 4.378 4.170 0.001 0.000 0.289 3038 I C -0.416 176.079 176.117 0.629 0.000 1.026 3038 I CA -0.748 60.866 61.300 0.524 0.000 1.078 3038 I CB 2.238 40.628 38.000 0.651 0.000 1.249 3038 I HN 0.471 nan 8.210 nan 0.000 0.429 3039 Q N 4.245 124.268 119.800 0.372 0.000 2.282 3039 Q HA 0.428 4.769 4.340 0.001 0.000 0.260 3039 Q C -0.715 175.279 176.000 -0.009 0.000 0.964 3039 Q CA -0.366 55.609 55.803 0.287 0.000 0.880 3039 Q CB 2.163 31.009 28.738 0.181 0.000 1.286 3039 Q HN 0.675 nan 8.270 nan 0.000 0.445 3040 T N 1.278 115.704 114.554 -0.213 0.000 2.944 3040 T HA 0.554 4.905 4.350 0.001 0.000 0.284 3040 T C 0.644 175.192 174.700 -0.254 0.000 1.010 3040 T CA 0.167 61.944 62.100 -0.539 0.000 1.025 3040 T CB 1.231 69.451 68.868 -1.081 0.000 1.079 3040 T HN 0.709 nan 8.240 nan 0.000 0.516 3041 A N 2.202 124.779 122.820 -0.404 0.000 2.167 3041 A HA 0.190 4.511 4.320 0.001 0.000 0.214 3041 A C 0.535 178.102 177.584 -0.029 0.000 1.151 3041 A CA -0.187 51.721 52.037 -0.214 0.000 0.735 3041 A CB -0.512 18.269 19.000 -0.365 0.000 0.802 3041 A HN 0.831 nan 8.150 nan 0.000 0.467 3042 W N 1.509 122.798 121.300 -0.019 0.000 2.266 3042 W HA 0.227 4.888 4.660 0.001 0.000 0.317 3042 W C -0.415 176.184 176.519 0.134 0.000 1.310 3042 W CA -1.057 56.369 57.345 0.134 0.000 1.207 3042 W CB 0.578 30.134 29.460 0.160 0.000 1.199 3042 W HN 0.188 nan 8.180 nan 0.000 0.544 3043 D N 2.000 122.661 120.400 0.435 0.000 2.339 3043 D HA 0.256 4.897 4.640 0.001 0.000 0.245 3043 D C 0.131 176.460 176.300 0.049 0.000 1.115 3043 D CA -0.033 54.063 54.000 0.161 0.000 0.917 3043 D CB 1.282 42.162 40.800 0.133 0.000 1.192 3043 D HN 0.385 nan 8.370 nan 0.000 0.428 3044 A N 0.503 123.216 122.820 -0.177 0.000 2.498 3044 A HA 0.441 4.762 4.320 0.001 0.000 0.239 3044 A C 1.327 178.895 177.584 -0.026 0.000 1.068 3044 A CA 0.697 52.579 52.037 -0.258 0.000 0.766 3044 A CB 0.183 18.994 19.000 -0.314 0.000 1.003 3044 A HN 0.793 nan 8.150 nan 0.000 0.497 3045 G N 0.964 109.805 108.800 0.068 0.000 2.213 3045 G HA2 -0.169 3.791 3.960 0.001 0.000 0.236 3045 G HA3 -0.169 3.791 3.960 0.001 0.000 0.236 3045 G C 0.604 175.527 174.900 0.039 0.000 0.991 3045 G CA 0.961 46.090 45.100 0.048 0.000 0.629 3045 G HN 2.061 nan 8.290 nan 0.000 0.517 3046 T N -1.429 113.159 114.554 0.058 0.000 2.899 3046 T HA 0.633 4.984 4.350 0.001 0.000 0.284 3046 T C 1.561 176.196 174.700 -0.107 0.000 1.004 3046 T CA 0.155 62.235 62.100 -0.034 0.000 1.043 3046 T CB 2.070 70.913 68.868 -0.042 0.000 1.013 3046 T HN 0.540 nan 8.240 nan 0.000 0.518 3047 V N 2.430 122.212 119.914 -0.220 0.000 2.332 3047 V HA -0.060 4.061 4.120 0.001 0.000 0.248 3047 V C 2.885 178.759 176.094 -0.365 0.000 1.055 3047 V CA 2.419 64.573 62.300 -0.244 0.000 1.038 3047 V CB -1.550 30.113 31.823 -0.267 0.000 0.651 3047 V HN 1.129 nan 8.190 nan 0.000 0.450 3048 G N -1.494 106.829 108.800 -0.794 0.000 2.446 3048 G HA2 -0.350 3.610 3.960 0.001 0.000 0.217 3048 G HA3 -0.350 3.610 3.960 0.001 0.000 0.217 3048 G C 1.566 176.229 174.900 -0.395 0.000 1.168 3048 G CA 1.196 45.533 45.100 -1.271 0.000 0.771 3048 G HN 0.547 nan 8.290 nan 0.000 0.551 3049 Y N 2.043 122.229 120.300 -0.190 0.000 2.242 3049 Y HA -0.094 4.457 4.550 0.001 0.000 0.291 3049 Y C 3.098 179.128 175.900 0.216 0.000 1.137 3049 Y CA 1.502 59.721 58.100 0.198 0.000 1.181 3049 Y CB -0.137 38.439 38.460 0.193 0.000 0.989 3049 Y HN 0.229 nan 8.280 nan 0.000 0.527 3050 S N 0.312 116.037 115.700 0.041 0.000 2.382 3050 S HA -0.190 4.281 4.470 0.001 0.000 0.228 3050 S C 2.045 176.655 174.600 0.017 0.000 1.027 3050 S CA 1.579 59.779 58.200 0.001 0.000 0.991 3050 S CB -0.550 62.660 63.200 0.017 0.000 0.823 3050 S HN 0.442 nan 8.310 nan 0.000 0.469 3051 L N -0.085 121.191 121.223 0.088 0.000 2.046 3051 L HA -0.082 4.258 4.340 0.001 0.000 0.208 3051 L C 2.246 179.371 176.870 0.424 0.000 1.077 3051 L CA 1.300 56.290 54.840 0.251 0.000 0.747 3051 L CB -0.499 41.724 42.059 0.272 0.000 0.896 3051 L HN 0.271 nan 8.230 nan 0.000 0.432 3052 F N 0.460 120.549 119.950 0.232 0.000 2.134 3052 F HA -0.244 4.284 4.527 0.001 0.000 0.299 3052 F C 2.748 178.542 175.800 -0.009 0.000 1.097 3052 F CA 1.593 59.694 58.000 0.168 0.000 1.264 3052 F CB -0.335 38.760 39.000 0.158 0.000 1.001 3052 F HN 0.054 nan 8.300 nan 0.000 0.479 3053 Q N 1.244 120.874 119.800 -0.283 0.000 2.084 3053 Q HA -0.231 4.109 4.340 0.001 0.000 0.202 3053 Q C 2.149 178.025 176.000 -0.206 0.000 0.978 3053 Q CA 1.949 57.539 55.803 -0.356 0.000 0.844 3053 Q CB -0.310 28.248 28.738 -0.299 0.000 0.898 3053 Q HN 0.472 nan 8.270 nan 0.000 0.426 3054 K N -0.445 119.914 120.400 -0.069 0.000 2.147 3054 K HA -0.144 4.177 4.320 0.001 0.000 0.205 3054 K C 1.982 178.576 176.600 -0.009 0.000 1.049 3054 K CA 1.226 57.507 56.287 -0.010 0.000 0.936 3054 K CB -0.348 32.195 32.500 0.072 0.000 0.722 3054 K HN 0.147 nan 8.250 nan 0.000 0.446 3055 F N 2.282 122.119 119.950 -0.189 0.000 2.171 3055 F HA -0.239 4.289 4.527 0.001 0.000 0.300 3055 F C 2.309 177.919 175.800 -0.316 0.000 1.090 3055 F CA 1.980 59.785 58.000 -0.324 0.000 1.293 3055 F CB -0.843 37.665 39.000 -0.821 0.000 1.013 3055 F HN 0.066 nan 8.300 nan 0.000 0.486 3056 T N -2.257 111.985 114.554 -0.519 0.000 2.833 3056 T HA -0.190 4.161 4.350 0.001 0.000 0.269 3056 T C 1.662 176.137 174.700 -0.374 0.000 1.054 3056 T CA 1.617 63.403 62.100 -0.524 0.000 1.135 3056 T CB -0.649 67.993 68.868 -0.377 0.000 0.869 3056 T HN 0.523 nan 8.240 nan 0.000 0.466 3057 E N 0.705 120.746 120.200 -0.265 0.000 2.107 3057 E HA -0.037 4.314 4.350 0.001 0.000 0.191 3057 E C 2.439 178.930 176.600 -0.183 0.000 0.982 3057 E CA 0.701 56.994 56.400 -0.179 0.000 0.809 3057 E CB -0.134 29.498 29.700 -0.112 0.000 0.756 3057 E HN 0.324 nan 8.360 nan 0.000 0.459 3058 R N 1.297 121.673 120.500 -0.207 0.000 2.081 3058 R HA -0.109 4.232 4.340 0.001 0.000 0.235 3058 R C 2.068 178.226 176.300 -0.238 0.000 1.131 3058 R CA 1.095 57.099 56.100 -0.160 0.000 0.960 3058 R CB -0.756 29.508 30.300 -0.061 0.000 0.856 3058 R HN 0.012 nan 8.270 nan 0.000 0.436 3059 V N 1.313 120.958 119.914 -0.448 0.000 2.287 3059 V HA -0.258 3.862 4.120 0.001 0.000 0.248 3059 V C 2.442 178.408 176.094 -0.213 0.000 1.053 3059 V CA 2.262 64.333 62.300 -0.381 0.000 1.027 3059 V CB -0.591 30.922 31.823 -0.515 0.000 0.646 3059 V HN 0.436 nan 8.190 nan 0.000 0.447 3060 K N 0.077 120.354 120.400 -0.206 0.000 2.063 3060 K HA -0.279 4.042 4.320 0.001 0.000 0.208 3060 K C 2.245 178.780 176.600 -0.109 0.000 1.048 3060 K CA 2.154 58.355 56.287 -0.143 0.000 0.928 3060 K CB -0.164 32.257 32.500 -0.131 0.000 0.713 3060 K HN 0.609 nan 8.250 nan 0.000 0.442 3061 E N 0.551 120.688 120.200 -0.104 0.000 2.077 3061 E HA -0.179 4.171 4.350 0.001 0.000 0.193 3061 E C 2.001 178.563 176.600 -0.062 0.000 0.989 3061 E CA 1.042 57.399 56.400 -0.073 0.000 0.800 3061 E CB -0.043 29.620 29.700 -0.062 0.000 0.746 3061 E HN 0.348 nan 8.360 nan 0.000 0.452 3062 L N 0.422 121.603 121.223 -0.069 0.000 2.362 3062 L HA -0.062 4.278 4.340 0.001 0.000 0.219 3062 L C 2.043 178.885 176.870 -0.046 0.000 1.134 3062 L CA 1.412 56.224 54.840 -0.048 0.000 0.807 3062 L CB -0.127 41.908 42.059 -0.041 0.000 0.927 3062 L HN 0.306 nan 8.230 nan 0.000 0.447 3063 T N -6.027 108.489 114.554 -0.064 0.000 3.174 3063 T HA 0.106 4.456 4.350 0.001 0.000 0.269 3063 T C 0.331 174.994 174.700 -0.061 0.000 1.017 3063 T CA -0.435 61.626 62.100 -0.065 0.000 0.899 3063 T CB 0.053 68.868 68.868 -0.089 0.000 1.077 3063 T HN 0.166 nan 8.240 nan 0.000 0.552 3064 D N 1.503 121.870 120.400 -0.056 0.000 2.811 3064 D HA -0.200 4.441 4.640 0.001 0.000 0.231 3064 D C 1.350 177.617 176.300 -0.056 0.000 1.157 3064 D CA 1.582 55.552 54.000 -0.050 0.000 0.716 3064 D CB -1.692 39.084 40.800 -0.041 0.000 1.077 3064 D HN 0.999 nan 8.370 nan 0.000 0.428 3065 G N -0.415 108.344 108.800 -0.069 0.000 2.179 3065 G HA2 -0.432 3.529 3.960 0.001 0.000 0.260 3065 G HA3 -0.432 3.529 3.960 0.001 0.000 0.260 3065 G C 0.949 175.803 174.900 -0.076 0.000 0.977 3065 G CA 0.765 45.821 45.100 -0.074 0.000 0.641 3065 G HN 0.498 nan 8.290 nan 0.000 0.533 3066 Q N -1.269 118.490 119.800 -0.068 0.000 2.230 3066 Q HA 0.238 4.578 4.340 0.001 0.000 0.202 3066 Q C 0.915 176.885 176.000 -0.050 0.000 0.963 3066 Q CA 1.044 56.822 55.803 -0.042 0.000 0.866 3066 Q CB 0.235 28.964 28.738 -0.014 0.000 0.931 3066 Q HN 0.559 nan 8.270 nan 0.000 0.452 3067 L N 1.196 122.339 121.223 -0.133 0.000 2.342 3067 L HA 0.318 4.658 4.340 0.001 0.000 0.276 3067 L C -1.395 175.344 176.870 -0.218 0.000 0.997 3067 L CA -0.185 54.504 54.840 -0.250 0.000 0.838 3067 L CB 1.591 43.418 42.059 -0.386 0.000 1.224 3067 L HN -0.114 nan 8.230 nan 0.000 0.416 3068 E N 4.406 124.489 120.200 -0.196 0.000 2.176 3068 E HA 0.499 4.849 4.350 0.001 0.000 0.267 3068 E C -1.245 175.313 176.600 -0.070 0.000 0.893 3068 E CA -0.847 55.476 56.400 -0.129 0.000 0.761 3068 E CB 2.671 32.318 29.700 -0.088 0.000 1.133 3068 E HN 0.354 nan 8.360 nan 0.000 0.409 3069 V N 3.214 123.104 119.914 -0.041 0.000 2.394 3069 V HA 0.145 4.266 4.120 0.001 0.000 0.282 3069 V C -0.037 176.089 176.094 0.052 0.000 1.031 3069 V CA -0.580 61.776 62.300 0.095 0.000 0.881 3069 V CB 1.479 33.383 31.823 0.135 0.000 0.982 3069 V HN 0.650 nan 8.190 nan 0.000 0.451 3070 Q N 7.428 127.316 119.800 0.147 0.000 2.360 3070 Q HA 0.356 4.696 4.340 0.001 0.000 0.254 3070 Q C -2.472 173.556 176.000 0.045 0.000 0.975 3070 Q CA -1.858 53.973 55.803 0.046 0.000 0.912 3070 Q CB 1.814 30.624 28.738 0.121 0.000 1.212 3070 Q HN 0.486 nan 8.270 nan 0.000 0.452 3071 P HA 0.192 nan 4.420 nan 0.000 0.284 3071 P C -1.265 176.039 177.300 0.007 0.000 1.253 3071 P CA -0.093 63.101 63.100 0.158 0.000 0.800 3071 P CB 0.561 32.237 31.700 -0.039 0.000 0.961 3072 F N 3.810 124.110 119.950 0.584 0.000 2.518 3072 F HA 0.397 4.925 4.527 0.001 0.000 0.323 3072 F C -1.842 174.183 175.800 0.373 0.000 1.129 3072 F CA -2.281 55.949 58.000 0.384 0.000 0.920 3072 F CB 2.271 41.411 39.000 0.232 0.000 1.160 3072 F HN 0.184 nan 8.300 nan 0.000 0.440 3073 P HA 0.182 nan 4.420 nan 0.000 0.274 3073 P C -0.712 176.623 177.300 0.059 0.000 1.256 3073 P CA -0.371 62.668 63.100 -0.101 0.000 0.795 3073 P CB 0.741 32.038 31.700 -0.670 0.000 1.038 3074 A N 0.362 123.207 122.820 0.041 0.000 2.567 3074 A HA 0.360 4.681 4.320 0.001 0.000 0.240 3074 A C 1.537 179.132 177.584 0.019 0.000 1.053 3074 A CA 0.926 52.989 52.037 0.044 0.000 0.755 3074 A CB -1.737 17.301 19.000 0.063 0.000 0.978 3074 A HN 0.896 nan 8.150 nan 0.000 0.507 3075 G N 0.934 109.744 108.800 0.016 0.000 2.205 3075 G HA2 -0.088 3.873 3.960 0.001 0.000 0.261 3075 G HA3 -0.088 3.873 3.960 0.001 0.000 0.261 3075 G C 1.231 176.145 174.900 0.024 0.000 0.980 3075 G CA 1.256 46.358 45.100 0.004 0.000 0.632 3075 G HN 1.981 nan 8.290 nan 0.000 0.533 3076 A N -0.566 122.292 122.820 0.064 0.000 1.898 3076 A HA 0.371 4.692 4.320 0.001 0.000 0.216 3076 A C 2.533 180.140 177.584 0.038 0.000 1.181 3076 A CA 2.852 54.952 52.037 0.105 0.000 0.620 3076 A CB -0.289 18.869 19.000 0.262 0.000 0.819 3076 A HN 1.083 nan 8.150 nan 0.000 0.442 3077 V N -1.364 118.526 119.914 -0.041 0.000 2.581 3077 V HA 0.147 4.267 4.120 0.001 0.000 0.240 3077 V C 0.826 176.877 176.094 -0.072 0.000 1.054 3077 V CA 1.283 63.490 62.300 -0.155 0.000 1.076 3077 V CB 0.216 31.832 31.823 -0.344 0.000 0.748 3077 V HN 0.571 nan 8.190 nan 0.000 0.474 3078 V N -3.266 116.629 119.914 -0.033 0.000 3.202 3078 V HA 0.921 5.042 4.120 0.001 0.000 0.306 3078 V C 0.065 176.166 176.094 0.011 0.000 1.283 3078 V CA -0.466 61.832 62.300 -0.004 0.000 1.065 3078 V CB 0.961 32.788 31.823 0.007 0.000 1.079 3078 V HN 0.250 nan 8.190 nan 0.000 0.448 3079 G N 0.212 109.023 108.800 0.018 0.000 2.491 3079 G HA2 0.413 4.374 3.960 0.001 0.000 0.242 3079 G HA3 0.413 4.374 3.960 0.001 0.000 0.242 3079 G C 0.734 175.634 174.900 -0.000 0.000 1.266 3079 G CA 0.603 45.699 45.100 -0.006 0.000 0.844 3079 G HN 1.084 nan 8.290 nan 0.000 0.571 3080 T N 1.922 116.408 114.554 -0.114 0.000 2.624 3080 T HA -0.217 4.134 4.350 0.001 0.000 0.268 3080 T C 1.885 176.631 174.700 0.076 0.000 1.041 3080 T CA 1.805 63.836 62.100 -0.115 0.000 1.159 3080 T CB -0.305 68.334 68.868 -0.381 0.000 0.863 3080 T HN 0.403 nan 8.240 nan 0.000 0.434 3081 F N 1.515 121.548 119.950 0.139 0.000 2.699 3081 F HA 0.076 4.603 4.527 0.001 0.000 0.298 3081 F C 1.806 177.806 175.800 0.333 0.000 1.154 3081 F CA -0.133 58.013 58.000 0.243 0.000 1.457 3081 F CB -0.467 38.575 39.000 0.068 0.000 1.106 3081 F HN 0.169 nan 8.300 nan 0.000 0.585 3082 D N -0.842 119.765 120.400 0.345 0.000 2.340 3082 D HA 0.069 4.709 4.640 0.001 0.000 0.217 3082 D C 2.153 178.562 176.300 0.182 0.000 1.081 3082 D CA 0.271 54.408 54.000 0.229 0.000 0.842 3082 D CB -0.034 40.847 40.800 0.136 0.000 0.934 3082 D HN 0.276 nan 8.370 nan 0.000 0.511 3083 M N -0.397 119.364 119.600 0.267 0.000 2.175 3083 M HA -0.103 4.377 4.480 0.001 0.000 0.264 3083 M C 1.947 178.261 176.300 0.023 0.000 1.063 3083 M CA 0.987 56.393 55.300 0.176 0.000 1.119 3083 M CB -0.252 32.524 32.600 0.293 0.000 1.377 3083 M HN -0.016 nan 8.290 nan 0.000 0.415 3084 F N 1.997 121.726 119.950 -0.368 0.000 2.043 3084 F HA -0.332 4.195 4.527 0.001 0.000 0.297 3084 F C 2.070 177.687 175.800 -0.306 0.000 1.121 3084 F CA 2.072 59.667 58.000 -0.674 0.000 1.199 3084 F CB -0.318 37.915 39.000 -1.278 0.000 0.968 3084 F HN 0.170 nan 8.300 nan 0.000 0.478 3085 D N 0.137 120.547 120.400 0.017 0.000 2.178 3085 D HA -0.127 4.514 4.640 0.001 0.000 0.202 3085 D C 2.320 178.580 176.300 -0.068 0.000 0.974 3085 D CA 1.279 55.272 54.000 -0.013 0.000 0.841 3085 D CB -0.541 40.300 40.800 0.068 0.000 0.953 3085 D HN 0.409 nan 8.370 nan 0.000 0.478 3086 A N 0.707 123.499 122.820 -0.047 0.000 1.902 3086 A HA -0.126 4.194 4.320 0.001 0.000 0.217 3086 A C 2.527 180.058 177.584 -0.089 0.000 1.181 3086 A CA 1.112 53.119 52.037 -0.050 0.000 0.623 3086 A CB -0.604 18.381 19.000 -0.026 0.000 0.818 3086 A HN 0.144 nan 8.150 nan 0.000 0.443 3087 V N 0.136 119.970 119.914 -0.135 0.000 2.379 3087 V HA -0.203 3.918 4.120 0.001 0.000 0.245 3087 V C 2.491 178.471 176.094 -0.190 0.000 1.044 3087 V CA 2.148 64.351 62.300 -0.162 0.000 1.036 3087 V CB -0.604 31.108 31.823 -0.186 0.000 0.664 3087 V HN 0.692 nan 8.190 nan 0.000 0.453 3088 K N 0.805 121.046 120.400 -0.265 0.000 2.063 3088 K HA -0.228 4.093 4.320 0.001 0.000 0.208 3088 K C 2.123 178.649 176.600 -0.124 0.000 1.048 3088 K CA 2.156 58.302 56.287 -0.236 0.000 0.928 3088 K CB -0.295 32.023 32.500 -0.303 0.000 0.713 3088 K HN 0.652 nan 8.250 nan 0.000 0.442 3089 T N -3.648 110.849 114.554 -0.095 0.000 3.088 3089 T HA 0.161 4.512 4.350 0.001 0.000 0.259 3089 T C 1.329 176.000 174.700 -0.047 0.000 1.122 3089 T CA 0.757 62.824 62.100 -0.054 0.000 1.095 3089 T CB 0.225 69.071 68.868 -0.036 0.000 0.930 3089 T HN 0.456 nan 8.240 nan 0.000 0.508 3090 G N 0.145 108.907 108.800 -0.064 0.000 2.176 3090 G HA2 -0.283 3.678 3.960 0.001 0.000 0.232 3090 G HA3 -0.283 3.678 3.960 0.001 0.000 0.232 3090 G C 0.868 175.742 174.900 -0.043 0.000 0.986 3090 G CA 0.144 45.213 45.100 -0.052 0.000 0.643 3090 G HN 0.477 nan 8.290 nan 0.000 0.522 3091 V N 0.104 119.990 119.914 -0.046 0.000 2.392 3091 V HA 0.110 4.230 4.120 0.001 0.000 0.249 3091 V C 1.584 177.643 176.094 -0.059 0.000 1.059 3091 V CA 1.989 64.262 62.300 -0.046 0.000 1.051 3091 V CB -0.162 31.634 31.823 -0.045 0.000 0.658 3091 V HN 0.441 nan 8.190 nan 0.000 0.455 3092 L N -0.377 120.809 121.223 -0.063 0.000 2.346 3092 L HA 0.397 4.738 4.340 0.001 0.000 0.274 3092 L C 0.705 177.532 176.870 -0.071 0.000 1.007 3092 L CA -0.524 54.282 54.840 -0.056 0.000 0.818 3092 L CB 1.926 43.959 42.059 -0.044 0.000 1.284 3092 L HN 0.053 nan 8.230 nan 0.000 0.424 3093 D N 1.566 121.927 120.400 -0.065 0.000 2.234 3093 D HA 0.103 4.744 4.640 0.001 0.000 0.205 3093 D C 0.628 176.750 176.300 -0.298 0.000 0.962 3093 D CA 0.662 54.531 54.000 -0.218 0.000 0.855 3093 D CB 0.960 41.600 40.800 -0.267 0.000 0.951 3093 D HN 0.691 nan 8.370 nan 0.000 0.500 3094 G N 0.091 108.823 108.800 -0.113 0.000 2.550 3094 G HA2 0.567 4.527 3.960 0.001 0.000 0.293 3094 G HA3 0.567 4.527 3.960 0.001 0.000 0.293 3094 G C -1.436 173.498 174.900 0.057 0.000 1.402 3094 G CA -0.675 44.392 45.100 -0.054 0.000 0.784 3094 G HN 0.048 nan 8.290 nan 0.000 0.482 3095 M N -0.716 118.913 119.600 0.049 0.000 2.578 3095 M HA 0.588 5.068 4.480 0.001 0.000 0.276 3095 M C -1.776 174.403 176.300 -0.202 0.000 1.245 3095 M CA -0.957 54.343 55.300 0.001 0.000 0.871 3095 M CB 2.624 35.254 32.600 0.050 0.000 1.722 3095 M HN 0.473 nan 8.290 nan 0.000 0.473 3096 N N 2.721 121.180 118.700 -0.402 0.000 2.841 3096 N HA 0.461 5.201 4.740 0.001 0.000 0.257 3096 N C -3.073 172.032 175.510 -0.674 0.000 1.396 3096 N CA -1.229 51.337 53.050 -0.805 0.000 0.823 3096 N CB 1.706 39.527 38.487 -1.111 0.000 1.162 3096 N HN 0.503 nan 8.380 nan 0.000 0.503 3097 P HA 0.386 nan 4.420 nan 0.000 0.304 3097 P C -1.050 175.763 177.300 -0.812 0.000 1.310 3097 P CA -0.539 62.279 63.100 -0.471 0.000 0.796 3097 P CB 1.224 32.946 31.700 0.037 0.000 1.297 3098 F N -0.326 119.135 119.950 -0.814 0.000 2.391 3098 F HA 0.206 4.734 4.527 0.001 0.000 0.359 3098 F C 1.972 177.282 175.800 -0.816 0.000 1.122 3098 F CA 0.290 57.747 58.000 -0.905 0.000 1.120 3098 F CB 0.230 38.466 39.000 -1.273 0.000 1.142 3098 F HN 0.174 nan 8.300 nan 0.000 0.483 3099 T N 3.049 117.416 114.554 -0.312 0.000 2.685 3099 T HA -0.224 4.126 4.350 0.001 0.000 0.268 3099 T C 1.945 176.515 174.700 -0.216 0.000 1.034 3099 T CA 1.758 63.777 62.100 -0.136 0.000 1.149 3099 T CB -0.303 68.632 68.868 0.111 0.000 0.860 3099 T HN 0.514 nan 8.240 nan 0.000 0.449 3100 L N -1.055 120.032 121.223 -0.226 0.000 2.633 3100 L HA 0.130 4.471 4.340 0.001 0.000 0.235 3100 L C 1.679 178.455 176.870 -0.158 0.000 1.163 3100 L CA 0.905 55.643 54.840 -0.170 0.000 0.859 3100 L CB -1.705 40.249 42.059 -0.176 0.000 0.973 3100 L HN 0.076 nan 8.230 nan 0.000 0.451 3101 Y N -0.517 119.470 120.300 -0.522 0.000 2.421 3101 Y HA -0.087 4.463 4.550 0.001 0.000 0.292 3101 Y C 1.397 177.000 175.900 -0.495 0.000 1.136 3101 Y CA 0.148 57.863 58.100 -0.641 0.000 1.255 3101 Y CB -0.890 36.969 38.460 -1.001 0.000 0.991 3101 Y HN 0.370 nan 8.280 nan 0.000 0.552 3102 W N -1.354 120.039 121.300 0.154 0.000 3.330 3102 W HA 0.426 5.086 4.660 0.001 0.000 0.348 3102 W C 1.970 178.457 176.519 -0.054 0.000 1.205 3102 W CA 0.162 57.475 57.345 -0.054 0.000 1.841 3102 W CB -0.257 29.136 29.460 -0.112 0.000 1.084 3102 W HN -0.126 nan 8.180 nan 0.000 0.665 3103 A N 1.013 123.914 122.820 0.134 0.000 1.978 3103 A HA -0.109 4.212 4.320 0.001 0.000 0.220 3103 A C 2.260 180.004 177.584 0.267 0.000 1.170 3103 A CA 2.008 54.146 52.037 0.168 0.000 0.636 3103 A CB -1.124 17.882 19.000 0.009 0.000 0.810 3103 A HN 0.387 nan 8.150 nan 0.000 0.448 3104 G N 0.157 109.056 108.800 0.166 0.000 2.408 3104 G HA2 -0.190 3.771 3.960 0.001 0.000 0.217 3104 G HA3 -0.190 3.771 3.960 0.001 0.000 0.217 3104 G C 1.705 176.632 174.900 0.046 0.000 1.150 3104 G CA 0.972 46.141 45.100 0.115 0.000 0.776 3104 G HN 0.753 nan 8.290 nan 0.000 0.542 3105 R N -1.253 119.247 120.500 -0.000 0.000 2.206 3105 R HA 0.383 4.724 4.340 0.001 0.000 0.198 3105 R C 0.661 176.933 176.300 -0.046 0.000 0.986 3105 R CA 0.179 56.238 56.100 -0.069 0.000 1.029 3105 R CB 0.136 30.307 30.300 -0.216 0.000 0.966 3105 R HN 0.259 nan 8.270 nan 0.000 0.487 3106 M N 1.585 121.181 119.600 -0.007 0.000 2.007 3106 M HA 0.317 4.797 4.480 0.001 0.000 0.285 3106 M C -2.260 174.121 176.300 0.134 0.000 0.893 3106 M CA -2.259 53.051 55.300 0.017 0.000 0.925 3106 M CB 2.631 35.178 32.600 -0.088 0.000 1.568 3106 M HN -0.195 nan 8.290 nan 0.000 0.414 3107 P HA -0.176 nan 4.420 nan 0.000 0.217 3107 P C 1.494 179.031 177.300 0.395 0.000 1.148 3107 P CA 0.911 64.214 63.100 0.339 0.000 0.828 3107 P CB 0.292 32.141 31.700 0.247 0.000 0.783 3108 V N 0.198 120.299 119.914 0.311 0.000 2.594 3108 V HA -0.221 3.899 4.120 0.001 0.000 0.253 3108 V C 2.105 178.392 176.094 0.321 0.000 1.069 3108 V CA 2.773 65.289 62.300 0.359 0.000 1.082 3108 V CB -1.627 30.337 31.823 0.234 0.000 0.680 3108 V HN 0.296 nan 8.190 nan 0.000 0.469 3109 T N -2.115 112.569 114.554 0.216 0.000 3.007 3109 T HA 0.010 4.360 4.350 0.001 0.000 0.270 3109 T C 1.766 176.508 174.700 0.070 0.000 1.107 3109 T CA 1.137 63.356 62.100 0.198 0.000 1.118 3109 T CB -0.436 68.578 68.868 0.244 0.000 0.889 3109 T HN 0.586 nan 8.240 nan 0.000 0.506 3110 A N 0.356 123.145 122.820 -0.052 0.000 2.119 3110 A HA 0.327 4.648 4.320 0.001 0.000 0.217 3110 A C 1.397 178.677 177.584 -0.506 0.000 1.153 3110 A CA 0.359 52.146 52.037 -0.415 0.000 0.692 3110 A CB -0.742 17.778 19.000 -0.799 0.000 0.799 3110 A HN 0.571 nan 8.150 nan 0.000 0.458 3111 F N -1.145 118.832 119.950 0.045 0.000 2.653 3111 F HA 0.343 4.870 4.527 0.001 0.000 0.304 3111 F C 0.954 176.891 175.800 0.228 0.000 1.092 3111 F CA 0.107 58.186 58.000 0.133 0.000 1.279 3111 F CB 0.357 39.370 39.000 0.021 0.000 1.044 3111 F HN 0.026 nan 8.300 nan 0.000 0.564 3112 L N -1.039 120.376 121.223 0.320 0.000 2.818 3112 L HA 0.306 4.647 4.340 0.001 0.000 0.243 3112 L C 0.373 177.374 176.870 0.218 0.000 1.185 3112 L CA 0.107 55.211 54.840 0.441 0.000 0.988 3112 L CB 0.154 42.482 42.059 0.449 0.000 1.292 3112 L HN 0.007 nan 8.230 nan 0.000 0.519 3113 S N -0.788 114.822 115.700 -0.149 0.000 2.565 3113 S HA 0.389 4.859 4.470 0.001 0.000 0.269 3113 S C -0.343 173.822 174.600 -0.725 0.000 1.153 3113 S CA -0.546 57.334 58.200 -0.534 0.000 0.835 3113 S CB 1.616 64.651 63.200 -0.275 0.000 1.122 3113 S HN 0.207 nan 8.310 nan 0.000 0.462 3114 S N 2.078 117.228 115.700 -0.917 0.000 2.573 3114 S HA 0.474 4.945 4.470 0.001 0.000 0.277 3114 S C -0.512 173.937 174.600 -0.252 0.000 1.346 3114 S CA 0.068 57.927 58.200 -0.568 0.000 1.034 3114 S CB -0.228 62.704 63.200 -0.446 0.000 0.879 3114 S HN 0.905 nan 8.310 nan 0.000 0.528 3115 Y N -1.220 119.012 120.300 -0.113 0.000 2.605 3115 Y HA 0.785 5.335 4.550 0.001 0.000 0.343 3115 Y C -0.016 175.879 175.900 -0.009 0.000 1.036 3115 Y CA -1.574 56.437 58.100 -0.148 0.000 1.065 3115 Y CB 0.554 38.837 38.460 -0.295 0.000 1.288 3115 Y HN 0.882 nan 8.280 nan 0.000 0.481 3116 A N 2.970 125.926 122.820 0.227 0.000 2.573 3116 A HA 0.257 4.578 4.320 0.001 0.000 0.250 3116 A C 0.620 178.462 177.584 0.432 0.000 1.049 3116 A CA 0.215 52.383 52.037 0.218 0.000 0.767 3116 A CB -0.690 18.381 19.000 0.118 0.000 0.965 3116 A HN 1.080 nan 8.150 nan 0.000 0.514 3117 L N 0.645 122.017 121.223 0.249 0.000 4.232 3117 L HA -0.226 4.115 4.340 0.001 0.000 0.415 3117 L C 1.150 178.284 176.870 0.440 0.000 1.168 3117 L CA 1.432 56.464 54.840 0.319 0.000 0.966 3117 L CB -2.374 39.882 42.059 0.330 0.000 2.052 3117 L HN 1.055 nan 8.230 nan 0.000 0.887 3118 G N -0.854 108.020 108.800 0.123 0.000 2.773 3118 G HA2 0.554 4.514 3.960 0.001 0.000 0.186 3118 G HA3 0.554 4.514 3.960 0.001 0.000 0.186 3118 G C 0.238 175.115 174.900 -0.038 0.000 1.411 3118 G CA -0.897 44.081 45.100 -0.202 0.000 1.054 3118 G HN 0.103 nan 8.290 nan 0.000 0.579 3119 L N 1.183 122.243 121.223 -0.271 0.000 2.559 3119 L HA 0.125 4.466 4.340 0.001 0.000 0.274 3119 L C 0.267 177.223 176.870 0.143 0.000 1.205 3119 L CA 0.086 54.768 54.840 -0.264 0.000 0.907 3119 L CB 0.603 42.198 42.059 -0.773 0.000 1.153 3119 L HN 0.737 nan 8.230 nan 0.000 0.490 3120 D N 1.178 121.712 120.400 0.223 0.000 2.563 3120 D HA 0.125 4.765 4.640 0.001 0.000 0.237 3120 D C 0.207 176.639 176.300 0.219 0.000 1.282 3120 D CA -0.333 53.806 54.000 0.232 0.000 0.816 3120 D CB 0.427 41.341 40.800 0.190 0.000 1.066 3120 D HN 0.301 nan 8.370 nan 0.000 0.501 3121 R N 0.348 120.989 120.500 0.234 0.000 2.670 3121 R HA 0.398 4.739 4.340 0.001 0.000 0.289 3121 R C -2.108 174.367 176.300 0.292 0.000 0.965 3121 R CA -1.879 54.350 56.100 0.215 0.000 0.899 3121 R CB 1.882 32.277 30.300 0.159 0.000 1.173 3121 R HN -0.236 nan 8.270 nan 0.000 0.456 3122 P HA -0.227 nan 4.420 nan 0.000 0.216 3122 P C 0.482 178.020 177.300 0.396 0.000 1.153 3122 P CA 1.618 64.872 63.100 0.257 0.000 0.858 3122 P CB 0.151 31.888 31.700 0.062 0.000 0.789 3123 D N -0.986 119.602 120.400 0.313 0.000 2.178 3123 D HA -0.208 4.432 4.640 0.001 0.000 0.201 3123 D C 1.791 178.266 176.300 0.291 0.000 0.980 3123 D CA 1.076 55.246 54.000 0.283 0.000 0.842 3123 D CB -0.869 40.019 40.800 0.147 0.000 0.948 3123 D HN 0.213 nan 8.370 nan 0.000 0.472 3124 Q N -0.684 119.258 119.800 0.237 0.000 2.079 3124 Q HA -0.076 4.265 4.340 0.001 0.000 0.200 3124 Q C 1.669 177.816 176.000 0.245 0.000 0.974 3124 Q CA 1.313 57.223 55.803 0.179 0.000 0.840 3124 Q CB -0.278 28.364 28.738 -0.160 0.000 0.898 3124 Q HN 0.461 nan 8.270 nan 0.000 0.430 3125 W N 0.951 122.431 121.300 0.300 0.000 2.402 3125 W HA -0.142 4.519 4.660 0.002 0.000 0.286 3125 W C 2.206 179.080 176.519 0.591 0.000 1.221 3125 W CA 1.071 58.673 57.345 0.427 0.000 1.257 3125 W CB -0.018 29.638 29.460 0.327 0.000 1.120 3125 W HN 0.207 nan 8.180 nan 0.000 0.551 3126 E N -0.355 120.250 120.200 0.675 0.000 2.072 3126 E HA -0.160 4.191 4.350 0.001 0.000 0.191 3126 E C 2.053 179.003 176.600 0.583 0.000 0.985 3126 E CA 2.120 58.933 56.400 0.688 0.000 0.801 3126 E CB -0.426 29.671 29.700 0.662 0.000 0.750 3126 E HN -0.007 nan 8.360 nan 0.000 0.452 3127 T N -0.434 114.361 114.554 0.402 0.000 2.777 3127 T HA -0.152 4.199 4.350 0.001 0.000 0.266 3127 T C 1.151 175.915 174.700 0.107 0.000 1.040 3127 T CA 1.274 63.503 62.100 0.215 0.000 1.141 3127 T CB -0.558 68.381 68.868 0.118 0.000 0.868 3127 T HN 0.424 nan 8.240 nan 0.000 0.444 3128 W N 0.928 122.221 121.300 -0.011 0.000 2.355 3128 W HA -0.074 4.587 4.660 0.001 0.000 0.309 3128 W C 1.639 178.072 176.519 -0.142 0.000 1.206 3128 W CA 0.877 58.112 57.345 -0.182 0.000 1.284 3128 W CB -0.692 28.604 29.460 -0.273 0.000 1.145 3128 W HN 0.206 nan 8.180 nan 0.000 0.502 3129 F N -1.431 118.486 119.950 -0.055 0.000 2.084 3129 F HA -0.181 4.347 4.527 0.001 0.000 0.296 3129 F C 2.000 177.462 175.800 -0.563 0.000 1.111 3129 F CA 1.933 59.693 58.000 -0.401 0.000 1.224 3129 F CB -0.954 37.911 39.000 -0.225 0.000 0.991 3129 F HN -0.200 nan 8.300 nan 0.000 0.471 3130 Y N -1.432 118.961 120.300 0.154 0.000 2.523 3130 Y HA -0.026 4.524 4.550 0.001 0.000 0.279 3130 Y C 2.126 178.024 175.900 -0.002 0.000 1.139 3130 Y CA 0.741 58.896 58.100 0.091 0.000 1.296 3130 Y CB 0.015 38.588 38.460 0.187 0.000 1.045 3130 Y HN 0.068 nan 8.280 nan 0.000 0.538 3131 S N -2.344 113.361 115.700 0.008 0.000 2.648 3131 S HA 0.157 4.628 4.470 0.001 0.000 0.270 3131 S C 0.789 175.284 174.600 -0.175 0.000 1.080 3131 S CA -0.272 57.897 58.200 -0.051 0.000 1.159 3131 S CB -0.450 62.739 63.200 -0.018 0.000 1.091 3131 S HN 0.271 nan 8.310 nan 0.000 0.605 3132 L N 1.686 122.723 121.223 -0.310 0.000 2.653 3132 L HA 0.481 4.821 4.340 0.001 0.000 0.231 3132 L C 1.640 178.214 176.870 -0.493 0.000 1.153 3132 L CA 0.437 55.044 54.840 -0.387 0.000 0.933 3132 L CB -0.039 41.766 42.059 -0.423 0.000 1.175 3132 L HN 0.637 nan 8.230 nan 0.000 0.473 3133 G N -0.210 108.293 108.800 -0.495 0.000 2.176 3133 G HA2 -0.266 3.694 3.960 0.001 0.000 0.232 3133 G HA3 -0.266 3.694 3.960 0.001 0.000 0.232 3133 G C 0.961 175.442 174.900 -0.698 0.000 0.986 3133 G CA 0.132 44.954 45.100 -0.463 0.000 0.643 3133 G HN 0.424 nan 8.290 nan 0.000 0.522 3134 G N 0.478 108.470 108.800 -1.347 0.000 2.422 3134 G HA2 0.081 4.042 3.960 0.001 0.000 0.218 3134 G HA3 0.081 4.042 3.960 0.001 0.000 0.218 3134 G C 1.743 176.153 174.900 -0.817 0.000 1.146 3134 G CA 1.669 45.630 45.100 -1.899 0.000 0.769 3134 G HN 1.003 nan 8.290 nan 0.000 0.547 3135 L N 1.110 122.076 121.223 -0.429 0.000 2.046 3135 L HA -0.030 4.311 4.340 0.001 0.000 0.208 3135 L C 2.238 179.047 176.870 -0.103 0.000 1.077 3135 L CA 2.653 57.446 54.840 -0.079 0.000 0.747 3135 L CB -0.729 41.224 42.059 -0.175 0.000 0.896 3135 L HN 0.295 nan 8.230 nan 0.000 0.432 3136 D N -0.818 119.496 120.400 -0.142 0.000 2.117 3136 D HA -0.219 4.421 4.640 0.001 0.000 0.197 3136 D C 2.153 178.419 176.300 -0.057 0.000 0.987 3136 D CA 1.705 55.662 54.000 -0.071 0.000 0.829 3136 D CB -0.120 40.642 40.800 -0.062 0.000 0.961 3136 D HN 0.499 nan 8.370 nan 0.000 0.460 3137 I N 0.384 120.897 120.570 -0.096 0.000 2.179 3137 I HA -0.244 3.927 4.170 0.001 0.000 0.242 3137 I C 2.520 178.592 176.117 -0.075 0.000 1.088 3137 I CA 1.063 62.356 61.300 -0.012 0.000 1.357 3137 I CB -0.438 37.580 38.000 0.030 0.000 1.051 3137 I HN 0.070 nan 8.210 nan 0.000 0.409 3138 A N 0.909 123.663 122.820 -0.110 0.000 1.883 3138 A HA -0.217 4.104 4.320 0.001 0.000 0.217 3138 A C 2.415 179.937 177.584 -0.103 0.000 1.186 3138 A CA 1.579 53.508 52.037 -0.181 0.000 0.624 3138 A CB -0.612 18.075 19.000 -0.520 0.000 0.822 3138 A HN 0.314 nan 8.150 nan 0.000 0.444 3139 R N -0.932 119.512 120.500 -0.094 0.000 2.096 3139 R HA -0.072 4.269 4.340 0.001 0.000 0.235 3139 R C 2.490 178.775 176.300 -0.025 0.000 1.127 3139 R CA 1.465 57.520 56.100 -0.075 0.000 0.968 3139 R CB -0.260 29.976 30.300 -0.106 0.000 0.861 3139 R HN 0.495 nan 8.270 nan 0.000 0.440 3140 R N 0.052 120.523 120.500 -0.048 0.000 2.075 3140 R HA -0.031 4.310 4.340 0.001 0.000 0.232 3140 R C 2.305 178.450 176.300 -0.258 0.000 1.126 3140 R CA 1.284 57.365 56.100 -0.032 0.000 0.963 3140 R CB -0.260 30.106 30.300 0.110 0.000 0.858 3140 R HN 0.179 nan 8.270 nan 0.000 0.435 3141 A N 0.273 122.687 122.820 -0.677 0.000 1.930 3141 A HA -0.126 4.195 4.320 0.001 0.000 0.217 3141 A C 1.813 179.132 177.584 -0.442 0.000 1.175 3141 A CA 1.131 52.530 52.037 -1.063 0.000 0.627 3141 A CB -0.455 17.863 19.000 -1.137 0.000 0.815 3141 A HN 0.212 nan 8.150 nan 0.000 0.443 3142 F N -0.171 119.646 119.950 -0.222 0.000 2.293 3142 F HA 0.081 4.609 4.527 0.001 0.000 0.297 3142 F C 2.664 178.432 175.800 -0.054 0.000 1.089 3142 F CA 0.736 58.686 58.000 -0.083 0.000 1.377 3142 F CB -0.168 38.803 39.000 -0.048 0.000 1.051 3142 F HN 0.250 nan 8.300 nan 0.000 0.511 3143 A N -0.098 122.792 122.820 0.117 0.000 1.972 3143 A HA -0.192 4.129 4.320 0.001 0.000 0.219 3143 A C 2.031 179.665 177.584 0.084 0.000 1.169 3143 A CA 1.618 53.726 52.037 0.118 0.000 0.635 3143 A CB -0.654 18.424 19.000 0.130 0.000 0.810 3143 A HN 0.419 nan 8.150 nan 0.000 0.446 3144 E N -0.497 119.734 120.200 0.051 0.000 2.338 3144 E HA -0.129 4.221 4.350 0.001 0.000 0.197 3144 E C 1.298 177.927 176.600 0.048 0.000 1.007 3144 E CA 0.704 57.143 56.400 0.065 0.000 0.849 3144 E CB 0.013 29.770 29.700 0.095 0.000 0.774 3144 E HN 0.563 nan 8.360 nan 0.000 0.506 3145 Q N -0.693 119.125 119.800 0.030 0.000 2.319 3145 Q HA 0.090 4.431 4.340 0.001 0.000 0.202 3145 Q C 0.849 176.837 176.000 -0.020 0.000 0.896 3145 Q CA 0.527 56.341 55.803 0.019 0.000 0.942 3145 Q CB 1.339 30.093 28.738 0.026 0.000 1.083 3145 Q HN 0.350 nan 8.270 nan 0.000 0.510 3146 G N 1.279 110.090 108.800 0.019 0.000 2.212 3146 G HA2 -0.243 3.717 3.960 0.001 0.000 0.255 3146 G HA3 -0.243 3.717 3.960 0.001 0.000 0.255 3146 G C -0.265 174.634 174.900 -0.002 0.000 1.062 3146 G CA 0.119 45.227 45.100 0.013 0.000 0.815 3146 G HN 0.250 nan 8.290 nan 0.000 0.497 3147 L N -1.351 119.901 121.223 0.049 0.000 2.409 3147 L HA 0.729 5.070 4.340 0.001 0.000 0.262 3147 L C -0.606 176.331 176.870 0.112 0.000 0.992 3147 L CA -1.283 53.586 54.840 0.048 0.000 0.817 3147 L CB 2.080 44.172 42.059 0.054 0.000 1.350 3147 L HN 0.081 nan 8.230 nan 0.000 0.411 3148 F N 2.237 122.100 119.950 -0.144 0.000 2.361 3148 F HA 0.333 4.860 4.527 0.001 0.000 0.364 3148 F C -0.541 175.055 175.800 -0.341 0.000 1.117 3148 F CA -0.643 57.184 58.000 -0.288 0.000 1.071 3148 F CB 0.719 39.319 39.000 -0.666 0.000 1.188 3148 F HN 0.314 nan 8.300 nan 0.000 0.464 3149 Y N 6.996 126.705 120.300 -0.984 0.000 2.539 3149 Y HA 0.313 4.864 4.550 0.001 0.000 0.352 3149 Y C 0.447 175.762 175.900 -0.976 0.000 1.004 3149 Y CA -0.203 57.357 58.100 -0.900 0.000 1.278 3149 Y CB 0.633 38.608 38.460 -0.808 0.000 1.136 3149 Y HN 0.529 nan 8.280 nan 0.000 0.528 3150 V N 5.359 124.758 119.914 -0.858 0.000 2.244 3150 V HA 0.054 4.175 4.120 0.001 0.000 0.244 3150 V C 1.269 177.071 176.094 -0.486 0.000 1.042 3150 V CA 1.706 63.712 62.300 -0.490 0.000 1.006 3150 V CB -1.082 30.691 31.823 -0.085 0.000 0.641 3150 V HN 0.994 nan 8.190 nan 0.000 0.446 3151 G N -1.020 107.309 108.800 -0.785 0.000 2.338 3151 G HA2 0.421 4.382 3.960 0.001 0.000 0.295 3151 G HA3 0.421 4.382 3.960 0.001 0.000 0.295 3151 G C -3.400 171.086 174.900 -0.689 0.000 1.461 3151 G CA -0.563 44.174 45.100 -0.605 0.000 0.817 3151 G HN 0.062 nan 8.290 nan 0.000 0.556 3152 P HA 0.514 nan 4.420 nan 0.000 0.277 3152 P C -0.663 176.428 177.300 -0.348 0.000 1.240 3152 P CA -0.374 62.432 63.100 -0.489 0.000 0.798 3152 P CB 2.013 33.222 31.700 -0.818 0.000 0.979 3153 V N 3.338 123.060 119.914 -0.320 0.000 2.407 3153 V HA 0.158 4.279 4.120 0.001 0.000 0.291 3153 V C 0.564 176.477 176.094 -0.301 0.000 1.018 3153 V CA -0.636 61.471 62.300 -0.322 0.000 0.842 3153 V CB 1.317 32.944 31.823 -0.328 0.000 0.996 3153 V HN 0.515 nan 8.190 nan 0.000 0.426 3154 Q N 3.487 123.059 119.800 -0.380 0.000 2.421 3154 Q HA 0.228 4.569 4.340 0.001 0.000 0.255 3154 Q C 0.297 176.413 176.000 0.194 0.000 1.013 3154 Q CA 0.269 55.902 55.803 -0.283 0.000 0.895 3154 Q CB 1.437 29.633 28.738 -0.904 0.000 1.271 3154 Q HN 0.973 nan 8.270 nan 0.000 0.460 3155 H N -0.795 118.418 119.070 0.238 0.000 2.587 3155 H HA 0.115 4.671 4.556 0.001 0.000 0.133 3155 H C -0.667 174.791 175.328 0.217 0.000 1.140 3155 H CA 0.126 56.367 56.048 0.322 0.000 1.119 3155 H CB 1.502 31.444 29.762 0.300 0.000 0.844 3155 H HN 0.629 nan 8.280 nan 0.000 0.265 3156 D N -0.124 120.076 120.400 -0.333 0.000 2.890 3156 D HA 0.197 4.838 4.640 0.001 0.000 0.306 3156 D C -1.272 174.853 176.300 -0.293 0.000 1.280 3156 D CA 0.003 53.765 54.000 -0.398 0.000 0.742 3156 D CB 0.822 41.163 40.800 -0.766 0.000 1.266 3156 D HN 0.278 nan 8.370 nan 0.000 0.433 3157 L N -0.079 121.041 121.223 -0.172 0.000 2.416 3157 L HA 0.695 5.036 4.340 0.001 0.000 0.263 3157 L C 0.104 176.878 176.870 -0.159 0.000 1.065 3157 L CA -0.407 54.350 54.840 -0.138 0.000 0.798 3157 L CB 0.188 42.216 42.059 -0.052 0.000 1.267 3157 L HN 0.332 nan 8.230 nan 0.000 0.467 3158 N N -0.420 118.183 118.700 -0.161 0.000 2.335 3158 N HA 0.793 5.534 4.740 0.001 0.000 0.304 3158 N C -1.039 174.490 175.510 0.032 0.000 1.135 3158 N CA -0.885 52.121 53.050 -0.072 0.000 0.817 3158 N CB 2.564 41.002 38.487 -0.082 0.000 1.294 3158 N HN 0.774 nan 8.380 nan 0.000 0.497 3159 I N -2.057 118.608 120.570 0.158 0.000 3.108 3159 I HA 0.626 4.797 4.170 0.001 0.000 0.312 3159 I C -1.111 175.146 176.117 0.233 0.000 1.095 3159 I CA -1.038 60.378 61.300 0.193 0.000 1.000 3159 I CB 1.772 39.850 38.000 0.130 0.000 1.229 3159 I HN 0.346 nan 8.210 nan 0.000 0.454 3160 I N 2.339 122.998 120.570 0.149 0.000 2.460 3160 I HA 0.411 4.582 4.170 0.001 0.000 0.298 3160 I C -0.547 175.535 176.117 -0.059 0.000 0.989 3160 I CA -0.544 60.822 61.300 0.110 0.000 1.173 3160 I CB 1.380 39.444 38.000 0.107 0.000 1.338 3160 I HN 0.502 nan 8.210 nan 0.000 0.456 3161 H N 3.499 122.636 119.070 0.111 0.000 2.466 3161 H HA 0.488 5.044 4.556 0.001 0.000 0.338 3161 H C -0.899 174.446 175.328 0.029 0.000 1.091 3161 H CA -0.361 55.746 56.048 0.099 0.000 1.207 3161 H CB 2.308 32.154 29.762 0.140 0.000 1.466 3161 H HN 0.472 nan 8.280 nan 0.000 0.493 3162 S N 1.581 117.370 115.700 0.148 0.000 2.546 3162 S HA 0.227 4.698 4.470 0.001 0.000 0.274 3162 S C 0.605 175.312 174.600 0.179 0.000 1.121 3162 S CA -0.810 57.445 58.200 0.092 0.000 0.887 3162 S CB 1.551 64.758 63.200 0.013 0.000 1.094 3162 S HN 0.679 nan 8.310 nan 0.000 0.474 3163 K N 1.451 121.912 120.400 0.101 0.000 2.167 3163 K HA 0.153 4.473 4.320 0.001 0.000 0.203 3163 K C 0.159 176.904 176.600 0.241 0.000 1.052 3163 K CA 0.755 57.118 56.287 0.128 0.000 0.956 3163 K CB 0.089 32.603 32.500 0.022 0.000 0.735 3163 K HN 0.400 nan 8.250 nan 0.000 0.451 3164 K N 1.199 121.656 120.400 0.095 0.000 2.221 3164 K HA 0.283 4.604 4.320 0.001 0.000 0.243 3164 K C -2.702 173.660 176.600 -0.397 0.000 0.968 3164 K CA -2.368 53.886 56.287 -0.056 0.000 0.846 3164 K CB 1.552 33.996 32.500 -0.094 0.000 1.141 3164 K HN -0.155 nan 8.250 nan 0.000 0.434 3165 P HA 0.162 nan 4.420 nan 0.000 0.276 3165 P C -0.733 176.297 177.300 -0.450 0.000 1.235 3165 P CA 0.158 62.723 63.100 -0.890 0.000 0.772 3165 P CB 0.515 31.709 31.700 -0.844 0.000 0.871 3166 I N 4.756 125.097 120.570 -0.382 0.000 2.464 3166 I HA 0.295 4.465 4.170 0.001 0.000 0.277 3166 I C 1.408 177.379 176.117 -0.244 0.000 1.040 3166 I CA -0.441 60.638 61.300 -0.368 0.000 1.153 3166 I CB 1.315 38.987 38.000 -0.546 0.000 1.274 3166 I HN 0.208 nan 8.210 nan 0.000 0.469 3167 R N 4.987 125.384 120.500 -0.172 0.000 2.334 3167 R HA 0.243 4.584 4.340 0.001 0.000 0.212 3167 R C 0.200 176.505 176.300 0.007 0.000 0.897 3167 R CA 0.092 56.149 56.100 -0.072 0.000 1.056 3167 R CB 0.495 30.752 30.300 -0.071 0.000 1.046 3167 R HN 0.579 nan 8.270 nan 0.000 0.513 3168 R N -1.900 118.610 120.500 0.018 0.000 2.734 3168 R HA 0.131 4.472 4.340 0.001 0.000 0.271 3168 R C -0.049 176.383 176.300 0.221 0.000 1.021 3168 R CA -0.789 55.389 56.100 0.130 0.000 0.893 3168 R CB 0.083 30.437 30.300 0.090 0.000 1.244 3168 R HN -0.157 nan 8.270 nan 0.000 0.464 3169 F N 1.779 121.832 119.950 0.173 0.000 2.087 3169 F HA -0.206 4.322 4.527 0.001 0.000 0.299 3169 F C 1.460 177.361 175.800 0.167 0.000 1.100 3169 F CA 2.291 60.399 58.000 0.180 0.000 1.226 3169 F CB 0.067 39.014 39.000 -0.088 0.000 0.983 3169 F HN 0.732 nan 8.300 nan 0.000 0.479 3170 E N 0.232 120.491 120.200 0.098 0.000 2.265 3170 E HA -0.184 4.166 4.350 0.001 0.000 0.196 3170 E C 1.620 178.167 176.600 -0.087 0.000 0.996 3170 E CA 1.310 57.698 56.400 -0.021 0.000 0.832 3170 E CB -0.522 29.215 29.700 0.061 0.000 0.756 3170 E HN 0.473 nan 8.360 nan 0.000 0.491 3171 D N -0.753 119.586 120.400 -0.101 0.000 2.371 3171 D HA -0.064 4.576 4.640 0.001 0.000 0.221 3171 D C 0.886 177.028 176.300 -0.263 0.000 0.986 3171 D CA 0.422 54.309 54.000 -0.189 0.000 0.899 3171 D CB -0.092 40.559 40.800 -0.248 0.000 0.902 3171 D HN 0.224 nan 8.370 nan 0.000 0.530 3172 F N 1.139 120.988 119.950 -0.168 0.000 2.456 3172 F HA 0.018 4.545 4.527 0.001 0.000 0.298 3172 F C 1.344 177.067 175.800 -0.130 0.000 1.104 3172 F CA 0.254 58.178 58.000 -0.126 0.000 1.435 3172 F CB -0.089 38.845 39.000 -0.111 0.000 1.078 3172 F HN -0.278 nan 8.300 nan 0.000 0.546 3173 K N 0.374 120.765 120.400 -0.016 0.000 2.472 3173 K HA 0.217 4.537 4.320 0.001 0.000 0.280 3173 K C 1.185 177.771 176.600 -0.024 0.000 1.028 3173 K CA 0.938 57.208 56.287 -0.028 0.000 1.045 3173 K CB -0.009 32.461 32.500 -0.050 0.000 0.902 3173 K HN 0.388 nan 8.250 nan 0.000 0.478 3174 G N 2.244 111.039 108.800 -0.009 0.000 2.205 3174 G HA2 -0.250 3.711 3.960 0.001 0.000 0.261 3174 G HA3 -0.250 3.711 3.960 0.001 0.000 0.261 3174 G C 0.004 174.890 174.900 -0.023 0.000 0.980 3174 G CA 0.117 45.207 45.100 -0.018 0.000 0.632 3174 G HN 0.539 nan 8.290 nan 0.000 0.533 3175 V N 1.535 121.439 119.914 -0.018 0.000 2.555 3175 V HA 0.279 4.400 4.120 0.001 0.000 0.286 3175 V C 0.864 176.941 176.094 -0.028 0.000 1.044 3175 V CA 0.110 62.389 62.300 -0.035 0.000 1.026 3175 V CB 1.349 33.144 31.823 -0.046 0.000 0.981 3175 V HN 0.308 nan 8.190 nan 0.000 0.480 3176 K N 5.096 125.468 120.400 -0.046 0.000 2.273 3176 K HA 0.427 4.748 4.320 0.001 0.000 0.287 3176 K C -0.752 175.805 176.600 -0.072 0.000 1.089 3176 K CA -0.355 55.903 56.287 -0.048 0.000 0.909 3176 K CB 0.756 33.227 32.500 -0.048 0.000 1.123 3176 K HN 0.427 nan 8.250 nan 0.000 0.473 3177 L N 3.060 124.232 121.223 -0.085 0.000 2.333 3177 L HA 0.338 4.679 4.340 0.001 0.000 0.280 3177 L C -0.541 176.247 176.870 -0.136 0.000 1.004 3177 L CA -0.610 54.145 54.840 -0.141 0.000 0.820 3177 L CB 1.263 43.183 42.059 -0.232 0.000 1.247 3177 L HN 0.432 nan 8.230 nan 0.000 0.416 3178 R N 4.920 125.346 120.500 -0.123 0.000 2.298 3178 R HA 0.617 4.957 4.340 0.001 0.000 0.310 3178 R C -1.465 174.792 176.300 -0.073 0.000 1.068 3178 R CA -0.034 56.019 56.100 -0.079 0.000 0.957 3178 R CB 0.376 30.635 30.300 -0.069 0.000 1.003 3178 R HN 0.602 nan 8.270 nan 0.000 0.454 3179 V N 2.531 122.426 119.914 -0.032 0.000 3.159 3179 V HA 0.525 4.646 4.120 0.001 0.000 0.308 3179 V C -2.295 173.836 176.094 0.061 0.000 1.190 3179 V CA -1.743 60.565 62.300 0.014 0.000 1.037 3179 V CB 2.239 34.061 31.823 -0.002 0.000 1.060 3179 V HN 0.631 nan 8.190 nan 0.000 0.437 3180 P HA 0.218 nan 4.420 nan 0.000 0.249 3180 P C 0.801 178.107 177.300 0.011 0.000 1.593 3180 P CA 1.220 64.386 63.100 0.110 0.000 0.896 3180 P CB -0.137 31.692 31.700 0.215 0.000 1.581 3181 G N 0.347 109.138 108.800 -0.016 0.000 2.598 3181 G HA2 -0.060 3.901 3.960 0.001 0.000 0.269 3181 G HA3 -0.060 3.901 3.960 0.001 0.000 0.269 3181 G C 0.473 175.340 174.900 -0.055 0.000 1.289 3181 G CA 0.197 45.279 45.100 -0.031 0.000 0.926 3181 G HN 0.677 nan 8.290 nan 0.000 0.567 3182 G N -1.527 107.252 108.800 -0.035 0.000 2.594 3182 G HA2 -0.187 3.774 3.960 0.001 0.000 0.297 3182 G HA3 -0.187 3.774 3.960 0.001 0.000 0.297 3182 G C 1.310 175.918 174.900 -0.487 0.000 1.273 3182 G CA 1.468 46.410 45.100 -0.262 0.000 0.974 3182 G HN 1.699 nan 8.290 nan 0.000 0.552 3183 M N -0.250 118.669 119.600 -1.135 0.000 2.229 3183 M HA -0.039 4.441 4.480 0.001 0.000 0.264 3183 M C 2.627 178.727 176.300 -0.333 0.000 1.063 3183 M CA 1.542 56.265 55.300 -0.962 0.000 1.114 3183 M CB -0.327 31.569 32.600 -1.174 0.000 1.387 3183 M HN 0.522 nan 8.290 nan 0.000 0.420 3184 I N 0.225 120.661 120.570 -0.223 0.000 2.226 3184 I HA -0.213 3.958 4.170 0.001 0.000 0.245 3184 I C 2.635 178.819 176.117 0.111 0.000 1.100 3184 I CA 1.566 62.855 61.300 -0.018 0.000 1.374 3184 I CB -1.846 36.191 38.000 0.061 0.000 1.057 3184 I HN 0.237 nan 8.210 nan 0.000 0.413 3185 A N 0.283 123.153 122.820 0.083 0.000 1.898 3185 A HA -0.230 4.091 4.320 0.001 0.000 0.216 3185 A C 2.373 180.050 177.584 0.154 0.000 1.181 3185 A CA 1.687 53.811 52.037 0.146 0.000 0.620 3185 A CB -0.663 18.387 19.000 0.083 0.000 0.819 3185 A HN 0.484 nan 8.150 nan 0.000 0.442 3186 E N -0.260 120.010 120.200 0.117 0.000 2.110 3186 E HA -0.130 4.220 4.350 0.001 0.000 0.193 3186 E C 1.823 178.490 176.600 0.111 0.000 0.988 3186 E CA 1.348 57.836 56.400 0.146 0.000 0.804 3186 E CB -0.108 29.735 29.700 0.237 0.000 0.745 3186 E HN 0.325 nan 8.360 nan 0.000 0.458 3187 V N 0.371 120.315 119.914 0.050 0.000 2.343 3187 V HA -0.224 3.897 4.120 0.001 0.000 0.247 3187 V C 1.912 178.009 176.094 0.005 0.000 1.051 3187 V CA 1.586 63.885 62.300 -0.003 0.000 1.036 3187 V CB -0.540 31.211 31.823 -0.120 0.000 0.654 3187 V HN 0.291 nan 8.190 nan 0.000 0.451 3188 F N 0.680 120.651 119.950 0.035 0.000 2.234 3188 F HA -0.030 4.498 4.527 0.001 0.000 0.299 3188 F C 2.373 178.185 175.800 0.020 0.000 1.087 3188 F CA 1.091 59.094 58.000 0.004 0.000 1.340 3188 F CB -0.872 38.093 39.000 -0.059 0.000 1.031 3188 F HN 0.085 nan 8.300 nan 0.000 0.500 3189 A N -0.127 122.819 122.820 0.209 0.000 1.930 3189 A HA -0.022 4.299 4.320 0.001 0.000 0.217 3189 A C 2.393 180.035 177.584 0.097 0.000 1.175 3189 A CA 1.495 53.611 52.037 0.130 0.000 0.627 3189 A CB -1.228 17.837 19.000 0.108 0.000 0.815 3189 A HN 0.267 nan 8.150 nan 0.000 0.443 3190 A N -0.440 122.438 122.820 0.097 0.000 2.070 3190 A HA 0.239 4.560 4.320 0.001 0.000 0.220 3190 A C 2.118 179.741 177.584 0.066 0.000 1.159 3190 A CA 1.660 53.742 52.037 0.076 0.000 0.656 3190 A CB -0.601 18.445 19.000 0.075 0.000 0.800 3190 A HN 1.063 nan 8.150 nan 0.000 0.453 3191 A N -2.009 120.839 122.820 0.047 0.000 2.307 3191 A HA 0.446 4.766 4.320 0.001 0.000 0.218 3191 A C 1.626 179.141 177.584 -0.115 0.000 1.228 3191 A CA 1.056 53.024 52.037 -0.114 0.000 0.857 3191 A CB -0.740 18.077 19.000 -0.305 0.000 0.897 3191 A HN 1.781 nan 8.150 nan 0.000 0.495 3192 G N -2.097 106.704 108.800 0.001 0.000 2.176 3192 G HA2 0.117 4.077 3.960 0.001 0.000 0.232 3192 G HA3 0.117 4.077 3.960 0.001 0.000 0.232 3192 G C 0.420 175.346 174.900 0.042 0.000 0.986 3192 G CA 0.187 45.291 45.100 0.008 0.000 0.643 3192 G HN 1.514 nan 8.290 nan 0.000 0.522 3193 A N -0.068 122.808 122.820 0.093 0.000 2.286 3193 A HA 0.792 5.112 4.320 0.001 0.000 0.286 3193 A C 0.604 178.222 177.584 0.056 0.000 1.097 3193 A CA 0.560 52.653 52.037 0.094 0.000 0.821 3193 A CB 0.865 19.956 19.000 0.151 0.000 1.076 3193 A HN 0.961 nan 8.150 nan 0.000 0.490 3194 S N 1.117 116.831 115.700 0.024 0.000 2.423 3194 S HA 0.438 4.908 4.470 0.001 0.000 0.317 3194 S C 0.341 174.939 174.600 -0.003 0.000 1.065 3194 S CA -0.272 57.935 58.200 0.011 0.000 1.111 3194 S CB 0.406 63.605 63.200 -0.002 0.000 0.968 3194 S HN 0.957 nan 8.310 nan 0.000 0.474 3195 T N 0.526 115.086 114.554 0.009 0.000 2.910 3195 T HA 0.658 5.009 4.350 0.001 0.000 0.293 3195 T C 0.077 174.769 174.700 -0.014 0.000 1.015 3195 T CA -0.703 61.392 62.100 -0.008 0.000 1.094 3195 T CB 0.889 69.773 68.868 0.026 0.000 0.968 3195 T HN 0.487 nan 8.240 nan 0.000 0.521 3196 V N 1.101 120.998 119.914 -0.029 0.000 2.925 3196 V HA 0.818 4.938 4.120 0.001 0.000 0.311 3196 V C -1.082 174.998 176.094 -0.024 0.000 1.104 3196 V CA -1.368 60.916 62.300 -0.026 0.000 0.954 3196 V CB 1.631 33.437 31.823 -0.030 0.000 1.022 3196 V HN 0.965 nan 8.190 nan 0.000 0.427 3197 L N 4.892 126.099 121.223 -0.026 0.000 2.296 3197 L HA 0.845 5.186 4.340 0.001 0.000 0.286 3197 L C -0.943 175.953 176.870 0.044 0.000 1.023 3197 L CA -0.168 54.653 54.840 -0.032 0.000 0.812 3197 L CB 0.862 42.835 42.059 -0.143 0.000 1.223 3197 L HN 0.821 nan 8.230 nan 0.000 0.421 3198 L N 6.659 127.951 121.223 0.115 0.000 2.505 3198 L HA 0.575 4.915 4.340 0.001 0.000 0.259 3198 L C -2.424 174.538 176.870 0.154 0.000 0.952 3198 L CA -1.602 53.322 54.840 0.141 0.000 0.840 3198 L CB 2.746 44.819 42.059 0.024 0.000 1.358 3198 L HN 0.482 nan 8.230 nan 0.000 0.409 3199 P HA 0.055 nan 4.420 nan 0.000 0.275 3199 P C 0.691 177.868 177.300 -0.206 0.000 1.228 3199 P CA -0.145 62.812 63.100 -0.238 0.000 0.786 3199 P CB 1.225 32.617 31.700 -0.513 0.000 0.927 3200 G N 2.571 111.165 108.800 -0.344 0.000 2.550 3200 G HA2 -0.287 3.674 3.960 0.001 0.000 0.222 3200 G HA3 -0.287 3.674 3.960 0.001 0.000 0.222 3200 G C 1.609 176.258 174.900 -0.419 0.000 1.113 3200 G CA 0.987 45.502 45.100 -0.974 0.000 0.748 3200 G HN 0.672 nan 8.290 nan 0.000 0.585 3201 G N -0.321 108.356 108.800 -0.204 0.000 2.679 3201 G HA2 0.081 4.042 3.960 0.001 0.000 0.212 3201 G HA3 0.081 4.042 3.960 0.001 0.000 0.212 3201 G C 1.382 176.254 174.900 -0.046 0.000 1.137 3201 G CA 0.623 45.672 45.100 -0.085 0.000 0.787 3201 G HN 0.548 nan 8.290 nan 0.000 0.534 3202 E N -0.465 119.695 120.200 -0.067 0.000 2.498 3202 E HA 0.125 4.476 4.350 0.001 0.000 0.203 3202 E C 2.154 178.735 176.600 -0.032 0.000 1.013 3202 E CA -0.296 56.085 56.400 -0.032 0.000 0.927 3202 E CB 0.668 30.346 29.700 -0.037 0.000 1.012 3202 E HN 0.248 nan 8.360 nan 0.000 0.482 3203 V N 0.863 120.738 119.914 -0.065 0.000 2.343 3203 V HA -0.291 3.830 4.120 0.001 0.000 0.247 3203 V C 1.984 177.984 176.094 -0.158 0.000 1.051 3203 V CA 1.834 64.029 62.300 -0.175 0.000 1.036 3203 V CB -0.531 31.065 31.823 -0.378 0.000 0.654 3203 V HN 0.372 nan 8.190 nan 0.000 0.451 3204 Y N 2.275 122.519 120.300 -0.094 0.000 2.097 3204 Y HA -0.178 4.373 4.550 0.001 0.000 0.282 3204 Y C 0.334 176.189 175.900 -0.075 0.000 1.152 3204 Y CA 2.549 60.621 58.100 -0.048 0.000 1.136 3204 Y CB -1.243 37.265 38.460 0.081 0.000 0.975 3204 Y HN 0.299 nan 8.280 nan 0.000 0.498 3205 P HA -0.163 nan 4.420 nan 0.000 0.217 3205 P C 1.184 178.478 177.300 -0.010 0.000 1.150 3205 P CA 2.184 65.359 63.100 0.124 0.000 0.832 3205 P CB -0.240 31.521 31.700 0.102 0.000 0.787 3206 A N 0.008 122.803 122.820 -0.041 0.000 1.933 3206 A HA -0.108 4.213 4.320 0.001 0.000 0.218 3206 A C 2.433 179.949 177.584 -0.114 0.000 1.175 3206 A CA 1.190 53.183 52.037 -0.073 0.000 0.628 3206 A CB -1.515 17.438 19.000 -0.079 0.000 0.814 3206 A HN 0.135 nan 8.150 nan 0.000 0.444 3207 L N -1.123 119.994 121.223 -0.177 0.000 2.044 3207 L HA -0.114 4.227 4.340 0.001 0.000 0.205 3207 L C 2.675 179.428 176.870 -0.196 0.000 1.075 3207 L CA 1.493 56.206 54.840 -0.212 0.000 0.747 3207 L CB -0.370 41.501 42.059 -0.313 0.000 0.903 3207 L HN 0.519 nan 8.230 nan 0.000 0.435 3208 E N 0.661 120.720 120.200 -0.235 0.000 2.204 3208 E HA -0.192 4.158 4.350 0.001 0.000 0.194 3208 E C 1.804 178.345 176.600 -0.098 0.000 0.989 3208 E CA 0.888 57.173 56.400 -0.192 0.000 0.824 3208 E CB 0.233 29.813 29.700 -0.199 0.000 0.756 3208 E HN 0.438 nan 8.360 nan 0.000 0.477 3209 R N -1.152 119.303 120.500 -0.074 0.000 2.334 3209 R HA 0.123 4.464 4.340 0.001 0.000 0.216 3209 R C 1.167 177.438 176.300 -0.048 0.000 0.905 3209 R CA 0.484 56.556 56.100 -0.047 0.000 1.064 3209 R CB 0.636 30.919 30.300 -0.029 0.000 1.046 3209 R HN 0.232 nan 8.270 nan 0.000 0.508 3210 G N 0.583 109.345 108.800 -0.063 0.000 2.162 3210 G HA2 -0.285 3.676 3.960 0.001 0.000 0.260 3210 G HA3 -0.285 3.676 3.960 0.001 0.000 0.260 3210 G C 0.841 175.710 174.900 -0.052 0.000 0.976 3210 G CA 0.375 45.441 45.100 -0.056 0.000 0.655 3210 G HN 0.199 nan 8.290 nan 0.000 0.533 3211 V N 0.714 120.596 119.914 -0.054 0.000 2.427 3211 V HA 0.107 4.227 4.120 0.001 0.000 0.248 3211 V C 1.609 177.669 176.094 -0.056 0.000 1.051 3211 V CA 2.190 64.462 62.300 -0.048 0.000 1.048 3211 V CB -0.446 31.350 31.823 -0.044 0.000 0.666 3211 V HN 0.812 nan 8.190 nan 0.000 0.456 3212 I N -4.212 116.314 120.570 -0.074 0.000 2.828 3212 I HA 0.531 4.701 4.170 0.001 0.000 0.302 3212 I C 0.106 176.171 176.117 -0.088 0.000 1.101 3212 I CA -0.732 60.519 61.300 -0.081 0.000 1.031 3212 I CB 2.080 40.021 38.000 -0.098 0.000 1.231 3212 I HN -0.204 nan 8.210 nan 0.000 0.427 3213 D N 2.658 123.009 120.400 -0.081 0.000 2.277 3213 D HA 0.306 4.946 4.640 0.001 0.000 0.209 3213 D C 0.578 176.830 176.300 -0.080 0.000 0.970 3213 D CA 0.841 54.795 54.000 -0.076 0.000 0.874 3213 D CB 1.046 41.803 40.800 -0.073 0.000 0.982 3213 D HN 0.700 nan 8.370 nan 0.000 0.504 3214 A N -0.095 122.668 122.820 -0.095 0.000 2.609 3214 A HA 0.756 5.077 4.320 0.001 0.000 0.291 3214 A C -1.669 175.848 177.584 -0.113 0.000 1.096 3214 A CA -0.285 51.698 52.037 -0.089 0.000 0.684 3214 A CB 1.919 20.868 19.000 -0.085 0.000 1.282 3214 A HN 0.054 nan 8.150 nan 0.000 0.412 3215 A N 0.447 123.218 122.820 -0.082 0.000 2.488 3215 A HA 0.677 4.998 4.320 0.001 0.000 0.298 3215 A C -1.441 176.180 177.584 0.061 0.000 1.044 3215 A CA 0.057 52.048 52.037 -0.076 0.000 0.693 3215 A CB 1.350 20.229 19.000 -0.203 0.000 1.272 3215 A HN 1.208 nan 8.150 nan 0.000 0.402 3216 D N 1.363 121.804 120.400 0.067 0.000 2.349 3216 D HA 0.579 5.219 4.640 0.001 0.000 0.232 3216 D C -0.246 176.266 176.300 0.353 0.000 1.071 3216 D CA -0.209 53.913 54.000 0.203 0.000 0.832 3216 D CB 0.534 41.398 40.800 0.107 0.000 1.086 3216 D HN 0.270 nan 8.370 nan 0.000 0.504 3217 F N 4.161 124.277 119.950 0.277 0.000 2.056 3217 F HA 0.457 4.984 4.527 0.001 0.000 0.210 3217 F C 0.047 175.964 175.800 0.194 0.000 1.238 3217 F CA 0.602 58.755 58.000 0.255 0.000 1.288 3217 F CB -0.279 38.992 39.000 0.451 0.000 1.811 3217 F HN 0.292 nan 8.300 nan 0.000 0.251 3218 V N -0.436 119.378 119.914 -0.166 0.000 4.850 3218 V HA 0.864 4.984 4.120 0.001 0.000 0.283 3218 V C 0.637 176.780 176.094 0.081 0.000 1.437 3218 V CA -0.233 61.977 62.300 -0.150 0.000 0.825 3218 V CB 0.048 31.800 31.823 -0.119 0.000 1.338 3218 V HN 0.626 nan 8.190 nan 0.000 0.445 3219 G N -0.076 108.767 108.800 0.071 0.000 2.621 3219 G HA2 0.436 4.397 3.960 0.001 0.000 0.271 3219 G HA3 0.436 4.397 3.960 0.001 0.000 0.271 3219 G C -1.281 173.654 174.900 0.057 0.000 1.236 3219 G CA -0.275 44.844 45.100 0.032 0.000 0.958 3219 G HN 0.693 nan 8.290 nan 0.000 0.512 3220 P HA -0.161 nan 4.420 nan 0.000 0.215 3220 P C 1.939 179.246 177.300 0.011 0.000 1.157 3220 P CA 2.181 65.203 63.100 -0.129 0.000 0.868 3220 P CB 0.020 31.175 31.700 -0.908 0.000 0.788 3221 A N 0.046 122.780 122.820 -0.143 0.000 1.865 3221 A HA -0.127 4.194 4.320 0.001 0.000 0.217 3221 A C 2.553 180.102 177.584 -0.057 0.000 1.191 3221 A CA 2.228 54.178 52.037 -0.146 0.000 0.623 3221 A CB -1.674 17.210 19.000 -0.193 0.000 0.826 3221 A HN 0.084 nan 8.150 nan 0.000 0.444 3222 V N 0.794 120.678 119.914 -0.051 0.000 2.453 3222 V HA -0.203 3.917 4.120 0.001 0.000 0.247 3222 V C 2.186 178.277 176.094 -0.006 0.000 1.048 3222 V CA 1.990 64.269 62.300 -0.036 0.000 1.049 3222 V CB -1.034 30.761 31.823 -0.046 0.000 0.672 3222 V HN 0.528 nan 8.190 nan 0.000 0.457 3223 N N -0.518 118.203 118.700 0.034 0.000 2.223 3223 N HA -0.188 4.553 4.740 0.001 0.000 0.185 3223 N C 1.664 177.014 175.510 -0.267 0.000 1.016 3223 N CA 1.457 54.373 53.050 -0.225 0.000 0.863 3223 N CB -0.447 38.142 38.487 0.170 0.000 0.983 3223 N HN 0.652 nan 8.380 nan 0.000 0.429 3224 Y N 1.528 121.768 120.300 -0.099 0.000 2.220 3224 Y HA -0.056 4.494 4.550 0.001 0.000 0.291 3224 Y C 1.791 177.618 175.900 -0.122 0.000 1.129 3224 Y CA 1.491 59.489 58.100 -0.170 0.000 1.161 3224 Y CB -0.373 37.787 38.460 -0.501 0.000 0.997 3224 Y HN 0.132 nan 8.280 nan 0.000 0.522 3225 N N 0.028 118.740 118.700 0.021 0.000 2.137 3225 N HA -0.225 4.516 4.740 0.001 0.000 0.190 3225 N C 1.412 176.850 175.510 -0.120 0.000 1.017 3225 N CA 1.479 54.514 53.050 -0.025 0.000 0.859 3225 N CB -0.307 38.161 38.487 -0.032 0.000 1.002 3225 N HN 0.333 nan 8.380 nan 0.000 0.428 3226 L N -0.282 120.802 121.223 -0.232 0.000 2.610 3226 L HA 0.114 4.455 4.340 0.001 0.000 0.232 3226 L C 1.273 178.030 176.870 -0.187 0.000 1.149 3226 L CA 0.107 54.776 54.840 -0.285 0.000 0.872 3226 L CB -0.178 41.577 42.059 -0.507 0.000 0.992 3226 L HN 0.287 nan 8.230 nan 0.000 0.447 3227 G N -1.125 107.576 108.800 -0.165 0.000 2.143 3227 G HA2 -0.311 3.649 3.960 0.001 0.000 0.248 3227 G HA3 -0.311 3.649 3.960 0.001 0.000 0.248 3227 G C 0.587 175.563 174.900 0.126 0.000 0.991 3227 G CA 0.106 45.154 45.100 -0.086 0.000 0.689 3227 G HN 0.178 nan 8.290 nan 0.000 0.522 3228 F N 1.093 121.056 119.950 0.022 0.000 2.192 3228 F HA -0.079 4.449 4.527 0.001 0.000 0.301 3228 F C 2.499 178.260 175.800 -0.064 0.000 1.079 3228 F CA 1.444 59.379 58.000 -0.107 0.000 1.303 3228 F CB -1.271 37.485 39.000 -0.406 0.000 1.024 3228 F HN 0.747 nan 8.300 nan 0.000 0.494 3229 H N -1.312 117.877 119.070 0.198 0.000 2.521 3229 H HA -0.053 4.503 4.556 0.001 0.000 0.286 3229 H C 1.583 176.966 175.328 0.091 0.000 1.034 3229 H CA 1.143 57.325 56.048 0.222 0.000 1.278 3229 H CB -0.720 29.179 29.762 0.229 0.000 1.386 3229 H HN 0.356 nan 8.280 nan 0.000 0.567 3230 Q N 0.965 120.503 119.800 -0.436 0.000 2.331 3230 Q HA 0.012 4.352 4.340 0.001 0.000 0.203 3230 Q C 1.638 177.528 176.000 -0.183 0.000 0.944 3230 Q CA 1.354 57.003 55.803 -0.256 0.000 0.892 3230 Q CB 0.619 29.257 28.738 -0.166 0.000 0.983 3230 Q HN 0.656 nan 8.270 nan 0.000 0.482 3231 V N -4.395 115.366 119.914 -0.256 0.000 3.477 3231 V HA 0.606 4.727 4.120 0.001 0.000 0.297 3231 V C 0.206 176.205 176.094 -0.158 0.000 1.433 3231 V CA -0.035 62.089 62.300 -0.293 0.000 1.052 3231 V CB 0.549 32.010 31.823 -0.603 0.000 0.895 3231 V HN 0.078 nan 8.190 nan 0.000 0.438 3232 A N 0.311 123.099 122.820 -0.053 0.000 2.437 3232 A HA 0.766 5.086 4.320 0.001 0.000 0.293 3232 A C 0.002 177.618 177.584 0.053 0.000 1.038 3232 A CA -0.512 51.539 52.037 0.023 0.000 0.708 3232 A CB 1.629 20.677 19.000 0.079 0.000 1.251 3232 A HN -0.026 nan 8.150 nan 0.000 0.409 3233 K N 1.138 121.488 120.400 -0.084 0.000 2.437 3233 K HA 0.231 4.551 4.320 0.001 0.000 0.205 3233 K C -1.190 175.122 176.600 -0.479 0.000 1.026 3233 K CA 0.537 56.674 56.287 -0.250 0.000 1.153 3233 K CB -0.203 32.078 32.500 -0.366 0.000 0.863 3233 K HN 0.656 nan 8.250 nan 0.000 0.502 3234 Y N -0.411 119.942 120.300 0.088 0.000 2.477 3234 Y HA 0.482 5.033 4.550 0.001 0.000 0.347 3234 Y C 0.015 175.914 175.900 -0.002 0.000 0.981 3234 Y CA -0.958 57.166 58.100 0.040 0.000 1.033 3234 Y CB 1.807 40.269 38.460 0.003 0.000 1.245 3234 Y HN -0.207 nan 8.280 nan 0.000 0.455 3235 I N 4.581 125.216 120.570 0.109 0.000 2.465 3235 I HA 0.404 4.575 4.170 0.001 0.000 0.291 3235 I C -1.119 175.011 176.117 0.022 0.000 1.014 3235 I CA -0.837 60.418 61.300 -0.076 0.000 1.093 3235 I CB 1.460 39.360 38.000 -0.167 0.000 1.267 3235 I HN 0.391 nan 8.210 nan 0.000 0.431 3236 I N 6.852 127.431 120.570 0.016 0.000 2.378 3236 I HA 0.517 4.687 4.170 0.001 0.000 0.291 3236 I C -0.149 176.039 176.117 0.117 0.000 0.992 3236 I CA -0.366 60.975 61.300 0.069 0.000 1.154 3236 I CB 1.281 39.324 38.000 0.072 0.000 1.315 3236 I HN 0.562 nan 8.210 nan 0.000 0.448 3237 M N 3.009 122.677 119.600 0.114 0.000 2.691 3237 M HA 0.612 5.092 4.480 0.001 0.000 0.293 3237 M C 0.500 176.873 176.300 0.122 0.000 1.259 3237 M CA -0.606 54.768 55.300 0.123 0.000 0.827 3237 M CB 2.725 35.368 32.600 0.073 0.000 1.753 3237 M HN 0.659 nan 8.290 nan 0.000 0.465 3238 G N 0.584 109.448 108.800 0.107 0.000 2.563 3238 G HA2 0.582 4.543 3.960 0.001 0.000 0.283 3238 G HA3 0.582 4.543 3.960 0.001 0.000 0.283 3238 G C -2.749 172.189 174.900 0.063 0.000 1.309 3238 G CA -1.065 44.094 45.100 0.098 0.000 1.022 3238 G HN 0.361 nan 8.290 nan 0.000 0.501 3239 P HA 0.160 nan 4.420 nan 0.000 0.273 3239 P C -2.176 175.131 177.300 0.013 0.000 1.250 3239 P CA -1.101 62.018 63.100 0.032 0.000 0.793 3239 P CB 1.036 32.758 31.700 0.036 0.000 1.011 3240 P HA -0.167 nan 4.420 nan 0.000 0.217 3240 P C 1.102 178.401 177.300 -0.002 0.000 1.148 3240 P CA 1.737 64.830 63.100 -0.012 0.000 0.828 3240 P CB -0.117 31.572 31.700 -0.018 0.000 0.783 3241 E N -1.828 118.373 120.200 0.002 0.000 2.347 3241 E HA -0.007 4.344 4.350 0.001 0.000 0.196 3241 E C 0.078 176.678 176.600 -0.000 0.000 1.008 3241 E CA 0.948 57.348 56.400 -0.001 0.000 0.852 3241 E CB -0.321 29.375 29.700 -0.005 0.000 0.783 3241 E HN 0.130 nan 8.360 nan 0.000 0.505 3242 T N 0.978 115.537 114.554 0.009 0.000 3.477 3242 T HA 0.095 4.445 4.350 0.001 0.000 0.277 3242 T C -2.317 172.397 174.700 0.024 0.000 1.090 3242 T CA -0.916 61.191 62.100 0.013 0.000 1.635 3242 T CB 1.200 70.075 68.868 0.012 0.000 0.817 3242 T HN -0.031 nan 8.240 nan 0.000 0.609 3243 P HA 0.018 nan 4.420 nan 0.000 0.219 3243 P C 0.325 177.647 177.300 0.037 0.000 1.146 3243 P CA 0.636 63.753 63.100 0.028 0.000 0.808 3243 P CB 0.261 31.976 31.700 0.023 0.000 0.779 3244 A N -0.616 122.211 122.820 0.012 0.000 2.323 3244 A HA 0.481 4.802 4.320 0.001 0.000 0.305 3244 A C 0.985 178.541 177.584 -0.047 0.000 1.275 3244 A CA -0.609 51.406 52.037 -0.035 0.000 0.804 3244 A CB 0.104 19.048 19.000 -0.094 0.000 1.152 3244 A HN -0.100 nan 8.150 nan 0.000 0.487 3245 I N 1.843 122.406 120.570 -0.012 0.000 2.400 3245 I HA -0.084 4.086 4.170 0.001 0.000 0.248 3245 I C 2.368 178.431 176.117 -0.088 0.000 1.109 3245 I CA 1.086 62.346 61.300 -0.067 0.000 1.425 3245 I CB -0.192 37.686 38.000 -0.204 0.000 1.094 3245 I HN 0.904 nan 8.210 nan 0.000 0.425 3246 H N 0.606 119.552 119.070 -0.207 0.000 2.418 3246 H HA 0.153 4.710 4.556 0.001 0.000 0.300 3246 H C 0.501 175.778 175.328 -0.085 0.000 1.041 3246 H CA 0.367 56.304 56.048 -0.185 0.000 1.364 3246 H CB -0.055 29.605 29.762 -0.170 0.000 1.439 3246 H HN 0.316 nan 8.280 nan 0.000 0.540 3247 Q N 1.999 121.453 119.800 -0.578 0.000 3.244 3247 Q HA 0.215 4.556 4.340 0.001 0.000 0.249 3247 Q C -2.197 173.613 176.000 -0.318 0.000 0.951 3247 Q CA -1.804 53.767 55.803 -0.387 0.000 0.740 3247 Q CB 2.566 31.099 28.738 -0.342 0.000 1.334 3247 Q HN 0.288 nan 8.270 nan 0.000 0.448 3248 P HA -0.039 nan 4.420 nan 0.000 0.222 3248 P C 0.315 177.558 177.300 -0.095 0.000 1.153 3248 P CA 0.684 63.720 63.100 -0.107 0.000 0.798 3248 P CB 0.667 32.353 31.700 -0.024 0.000 0.796 3249 V N 1.416 121.217 119.914 -0.187 0.000 2.465 3249 V HA 0.171 4.291 4.120 0.001 0.000 0.263 3249 V C -0.536 175.346 176.094 -0.354 0.000 0.981 3249 V CA -0.634 61.516 62.300 -0.251 0.000 0.838 3249 V CB 0.856 32.464 31.823 -0.359 0.000 1.068 3249 V HN -0.108 nan 8.190 nan 0.000 0.458 3250 D N 4.091 124.375 120.400 -0.194 0.000 2.508 3250 D HA 0.286 4.927 4.640 0.001 0.000 0.224 3250 D C 0.182 176.523 176.300 0.067 0.000 1.171 3250 D CA 0.063 54.004 54.000 -0.099 0.000 1.006 3250 D CB 0.240 41.011 40.800 -0.049 0.000 1.073 3250 D HN 0.428 nan 8.370 nan 0.000 0.513 3251 L N 2.734 123.884 121.223 -0.122 0.000 2.426 3251 L HA 0.261 4.602 4.340 0.001 0.000 0.271 3251 L C 0.987 177.766 176.870 -0.152 0.000 1.169 3251 L CA -0.174 54.594 54.840 -0.119 0.000 0.836 3251 L CB 0.741 42.687 42.059 -0.188 0.000 1.112 3251 L HN 0.200 nan 8.230 nan 0.000 0.465 3252 M N 1.890 121.314 119.600 -0.293 0.000 2.823 3252 M HA 0.470 4.950 4.480 0.001 0.000 0.282 3252 M C -0.962 175.097 176.300 -0.402 0.000 1.177 3252 M CA -0.496 54.481 55.300 -0.538 0.000 0.871 3252 M CB 1.888 33.982 32.600 -0.844 0.000 1.595 3252 M HN 0.732 nan 8.290 nan 0.000 0.524 3253 D N -1.169 118.955 120.400 -0.459 0.000 2.713 3253 D HA 0.467 5.107 4.640 0.001 0.000 0.306 3253 D C -1.828 174.192 176.300 -0.466 0.000 1.299 3253 D CA -0.577 53.180 54.000 -0.405 0.000 0.823 3253 D CB 0.906 41.493 40.800 -0.354 0.000 1.353 3253 D HN 0.328 nan 8.370 nan 0.000 0.447 3254 F N -0.392 119.312 119.950 -0.409 0.000 2.493 3254 F HA 0.639 5.166 4.527 0.001 0.000 0.329 3254 F C -0.326 175.278 175.800 -0.327 0.000 1.126 3254 F CA -0.197 57.677 58.000 -0.210 0.000 0.937 3254 F CB 2.794 41.769 39.000 -0.042 0.000 1.146 3254 F HN 0.260 nan 8.300 nan 0.000 0.442 3255 T N 5.398 119.905 114.554 -0.079 0.000 2.879 3255 T HA 0.594 4.945 4.350 0.001 0.000 0.290 3255 T C -0.780 173.869 174.700 -0.086 0.000 0.993 3255 T CA -0.523 61.463 62.100 -0.190 0.000 0.975 3255 T CB 1.283 70.014 68.868 -0.229 0.000 0.981 3255 T HN 0.130 nan 8.240 nan 0.000 0.439 3256 I N 2.887 123.392 120.570 -0.107 0.000 2.603 3256 I HA 0.377 4.548 4.170 0.001 0.000 0.300 3256 I C 0.614 176.652 176.117 -0.131 0.000 1.017 3256 I CA -1.169 60.027 61.300 -0.173 0.000 1.098 3256 I CB 1.583 39.442 38.000 -0.235 0.000 1.279 3256 I HN 0.658 nan 8.210 nan 0.000 0.437 3257 N N 3.818 122.404 118.700 -0.191 0.000 2.357 3257 N HA -0.095 4.646 4.740 0.001 0.000 0.257 3257 N C 0.863 176.365 175.510 -0.012 0.000 1.250 3257 N CA -0.107 52.873 53.050 -0.117 0.000 0.862 3257 N CB 0.924 39.328 38.487 -0.139 0.000 1.066 3257 N HN 0.538 nan 8.380 nan 0.000 0.468 3258 L N 5.149 126.398 121.223 0.044 0.000 2.042 3258 L HA -0.177 4.163 4.340 0.001 0.000 0.210 3258 L C 1.821 178.776 176.870 0.142 0.000 1.076 3258 L CA 1.693 56.617 54.840 0.139 0.000 0.749 3258 L CB -0.779 41.356 42.059 0.127 0.000 0.893 3258 L HN 0.632 nan 8.230 nan 0.000 0.432 3259 N N -0.761 117.985 118.700 0.076 0.000 2.188 3259 N HA -0.131 4.609 4.740 0.001 0.000 0.184 3259 N C 1.875 177.430 175.510 0.075 0.000 1.018 3259 N CA 0.774 53.864 53.050 0.067 0.000 0.858 3259 N CB -0.231 38.282 38.487 0.043 0.000 0.989 3259 N HN 0.301 nan 8.380 nan 0.000 0.426 3260 R N 0.573 121.106 120.500 0.056 0.000 2.081 3260 R HA -0.102 4.239 4.340 0.001 0.000 0.235 3260 R C 2.015 178.417 176.300 0.170 0.000 1.131 3260 R CA 0.573 56.722 56.100 0.082 0.000 0.960 3260 R CB -0.927 29.296 30.300 -0.129 0.000 0.856 3260 R HN 0.516 nan 8.270 nan 0.000 0.436 3261 W N 1.977 123.233 121.300 -0.072 0.000 2.355 3261 W HA -0.174 4.487 4.660 0.001 0.000 0.309 3261 W C 1.514 177.980 176.519 -0.088 0.000 1.206 3261 W CA 1.183 58.484 57.345 -0.074 0.000 1.284 3261 W CB -0.134 29.204 29.460 -0.202 0.000 1.145 3261 W HN 0.061 nan 8.180 nan 0.000 0.502 3262 R N 0.138 120.625 120.500 -0.022 0.000 2.237 3262 R HA -0.074 4.267 4.340 0.001 0.000 0.219 3262 R C 2.207 178.428 176.300 -0.131 0.000 1.080 3262 R CA 1.411 57.449 56.100 -0.104 0.000 0.995 3262 R CB -0.320 29.997 30.300 0.027 0.000 0.875 3262 R HN -0.006 nan 8.270 nan 0.000 0.462 3263 S N 0.557 116.210 115.700 -0.078 0.000 2.496 3263 S HA 0.024 4.495 4.470 0.001 0.000 0.224 3263 S C 0.422 174.921 174.600 -0.168 0.000 0.996 3263 S CA -0.050 58.124 58.200 -0.043 0.000 0.927 3263 S CB 0.102 63.344 63.200 0.070 0.000 0.774 3263 S HN 0.092 nan 8.310 nan 0.000 0.524 3264 L N 3.278 124.291 121.223 -0.349 0.000 2.290 3264 L HA 0.401 4.741 4.340 0.001 0.000 0.284 3264 L C -2.758 173.766 176.870 -0.577 0.000 1.078 3264 L CA -2.251 52.197 54.840 -0.653 0.000 0.815 3264 L CB 0.277 41.912 42.059 -0.707 0.000 1.162 3264 L HN -0.166 nan 8.230 nan 0.000 0.435 3265 P HA 0.022 nan 4.420 nan 0.000 0.265 3265 P C 0.004 177.107 177.300 -0.329 0.000 1.193 3265 P CA -0.042 62.864 63.100 -0.322 0.000 0.765 3265 P CB 0.641 32.201 31.700 -0.233 0.000 0.823 3266 K N 6.585 126.844 120.400 -0.235 0.000 2.077 3266 K HA -0.201 4.119 4.320 0.001 0.000 0.213 3266 K C -0.884 175.628 176.600 -0.147 0.000 1.051 3266 K CA 2.547 58.722 56.287 -0.186 0.000 0.929 3266 K CB -1.844 30.596 32.500 -0.100 0.000 0.715 3266 K HN 0.391 nan 8.250 nan 0.000 0.451 3267 P HA -0.166 nan 4.420 nan 0.000 0.215 3267 P C 1.093 178.335 177.300 -0.098 0.000 1.157 3267 P CA 1.416 64.467 63.100 -0.082 0.000 0.874 3267 P CB 0.004 31.660 31.700 -0.072 0.000 0.790 3268 L N -1.187 119.929 121.223 -0.178 0.000 2.156 3268 L HA -0.167 4.173 4.340 0.001 0.000 0.208 3268 L C 2.617 179.373 176.870 -0.190 0.000 1.095 3268 L CA 1.322 56.039 54.840 -0.206 0.000 0.770 3268 L CB -0.884 40.965 42.059 -0.350 0.000 0.914 3268 L HN 0.037 nan 8.230 nan 0.000 0.439 3269 Q N -0.184 119.429 119.800 -0.312 0.000 2.050 3269 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 3269 Q C 2.144 178.233 176.000 0.148 0.000 0.980 3269 Q CA 1.305 56.894 55.803 -0.356 0.000 0.840 3269 Q CB -0.091 28.289 28.738 -0.597 0.000 0.898 3269 Q HN 0.417 nan 8.270 nan 0.000 0.424 3270 E N 0.767 121.022 120.200 0.091 0.000 2.077 3270 E HA -0.151 4.199 4.350 0.001 0.000 0.193 3270 E C 1.950 178.648 176.600 0.164 0.000 0.989 3270 E CA 1.011 57.508 56.400 0.161 0.000 0.800 3270 E CB -0.158 29.598 29.700 0.093 0.000 0.746 3270 E HN 0.317 nan 8.360 nan 0.000 0.452 3271 R N -0.487 120.078 120.500 0.108 0.000 2.115 3271 R HA -0.081 4.260 4.340 0.001 0.000 0.230 3271 R C 2.253 178.648 176.300 0.158 0.000 1.111 3271 R CA 0.879 57.036 56.100 0.096 0.000 0.976 3271 R CB -0.337 29.985 30.300 0.037 0.000 0.870 3271 R HN 0.122 nan 8.270 nan 0.000 0.445 3272 F N 1.302 121.306 119.950 0.089 0.000 2.206 3272 F HA -0.046 4.481 4.527 0.001 0.000 0.298 3272 F C 1.964 177.906 175.800 0.236 0.000 1.090 3272 F CA 0.991 59.089 58.000 0.162 0.000 1.323 3272 F CB -0.057 39.107 39.000 0.274 0.000 1.028 3272 F HN -0.137 nan 8.300 nan 0.000 0.492 3273 I N -0.116 120.666 120.570 0.354 0.000 2.226 3273 I HA -0.315 3.855 4.170 0.001 0.000 0.245 3273 I C 2.608 178.804 176.117 0.131 0.000 1.100 3273 I CA 1.274 62.724 61.300 0.250 0.000 1.374 3273 I CB -0.783 37.433 38.000 0.359 0.000 1.057 3273 I HN 0.192 nan 8.210 nan 0.000 0.413 3274 A N 0.539 123.441 122.820 0.137 0.000 1.930 3274 A HA -0.093 4.227 4.320 0.001 0.000 0.217 3274 A C 2.528 180.163 177.584 0.084 0.000 1.175 3274 A CA 1.574 53.682 52.037 0.118 0.000 0.627 3274 A CB -0.716 18.339 19.000 0.091 0.000 0.815 3274 A HN 0.422 nan 8.150 nan 0.000 0.443 3275 A N -0.489 122.347 122.820 0.027 0.000 1.902 3275 A HA -0.028 4.293 4.320 0.001 0.000 0.217 3275 A C 2.200 179.830 177.584 0.077 0.000 1.181 3275 A CA 1.857 53.925 52.037 0.051 0.000 0.623 3275 A CB -0.879 18.092 19.000 -0.049 0.000 0.818 3275 A HN 0.389 nan 8.150 nan 0.000 0.443 3276 V N -0.861 118.938 119.914 -0.193 0.000 2.427 3276 V HA -0.249 3.871 4.120 0.001 0.000 0.248 3276 V C 2.340 178.413 176.094 -0.034 0.000 1.051 3276 V CA 2.170 64.273 62.300 -0.329 0.000 1.048 3276 V CB -0.978 30.537 31.823 -0.513 0.000 0.666 3276 V HN 0.806 nan 8.190 nan 0.000 0.456 3277 H N -0.241 118.799 119.070 -0.051 0.000 2.389 3277 H HA -0.176 4.381 4.556 0.001 0.000 0.299 3277 H C 2.475 177.850 175.328 0.078 0.000 1.081 3277 H CA 1.530 57.577 56.048 -0.003 0.000 1.345 3277 H CB 0.382 30.130 29.762 -0.023 0.000 1.393 3277 H HN 0.551 nan 8.280 nan 0.000 0.520 3278 E N -0.099 120.226 120.200 0.209 0.000 2.051 3278 E HA -0.255 4.096 4.350 0.001 0.000 0.192 3278 E C 1.960 178.695 176.600 0.226 0.000 0.991 3278 E CA 1.175 57.687 56.400 0.186 0.000 0.799 3278 E CB -0.286 29.505 29.700 0.151 0.000 0.748 3278 E HN 0.554 nan 8.360 nan 0.000 0.449 3279 Y N 1.341 121.668 120.300 0.045 0.000 2.165 3279 Y HA -0.236 4.314 4.550 0.001 0.000 0.286 3279 Y C 2.602 178.497 175.900 -0.009 0.000 1.155 3279 Y CA 1.812 59.891 58.100 -0.035 0.000 1.164 3279 Y CB -0.815 37.362 38.460 -0.471 0.000 0.978 3279 Y HN 0.094 nan 8.280 nan 0.000 0.513 3280 S N -0.425 115.172 115.700 -0.172 0.000 2.378 3280 S HA -0.311 4.160 4.470 0.001 0.000 0.229 3280 S C 1.758 176.137 174.600 -0.370 0.000 1.052 3280 S CA 2.298 60.282 58.200 -0.359 0.000 1.084 3280 S CB -0.778 62.221 63.200 -0.335 0.000 0.950 3280 S HN 0.682 nan 8.310 nan 0.000 0.440 3281 W N 0.668 121.980 121.300 0.019 0.000 2.523 3281 W HA 0.270 4.930 4.660 0.001 0.000 0.278 3281 W C 2.152 178.720 176.519 0.081 0.000 1.236 3281 W CA -0.384 57.006 57.345 0.075 0.000 1.306 3281 W CB -0.158 29.322 29.460 0.032 0.000 1.101 3281 W HN 0.256 nan 8.180 nan 0.000 0.577 3282 I N 0.040 120.727 120.570 0.196 0.000 2.226 3282 I HA -0.313 3.857 4.170 0.001 0.000 0.245 3282 I C 2.477 178.620 176.117 0.043 0.000 1.100 3282 I CA 1.789 63.171 61.300 0.137 0.000 1.374 3282 I CB -1.684 36.416 38.000 0.166 0.000 1.057 3282 I HN 0.224 nan 8.210 nan 0.000 0.413 3283 H N 0.280 119.193 119.070 -0.261 0.000 2.293 3283 H HA -0.277 4.280 4.556 0.001 0.000 0.300 3283 H C 2.379 177.659 175.328 -0.080 0.000 1.082 3283 H CA 2.206 58.069 56.048 -0.307 0.000 1.308 3283 H CB -0.472 28.837 29.762 -0.755 0.000 1.375 3283 H HN 0.275 nan 8.280 nan 0.000 0.495 3284 Y N 1.244 121.512 120.300 -0.053 0.000 2.081 3284 Y HA -0.286 4.265 4.550 0.001 0.000 0.280 3284 Y C 2.808 178.709 175.900 0.002 0.000 1.163 3284 Y CA 2.420 60.512 58.100 -0.014 0.000 1.135 3284 Y CB -0.805 37.656 38.460 0.000 0.000 0.970 3284 Y HN 0.309 nan 8.280 nan 0.000 0.498 3285 A N -0.084 122.810 122.820 0.125 0.000 1.933 3285 A HA -0.098 4.223 4.320 0.001 0.000 0.218 3285 A C 2.480 180.012 177.584 -0.087 0.000 1.175 3285 A CA 1.722 53.789 52.037 0.050 0.000 0.628 3285 A CB -1.688 17.407 19.000 0.157 0.000 0.814 3285 A HN 0.616 nan 8.150 nan 0.000 0.444 3286 G N -0.071 108.664 108.800 -0.108 0.000 2.402 3286 G HA2 -0.129 3.832 3.960 0.001 0.000 0.216 3286 G HA3 -0.129 3.832 3.960 0.001 0.000 0.216 3286 G C 1.422 176.193 174.900 -0.214 0.000 1.162 3286 G CA 1.039 46.057 45.100 -0.137 0.000 0.777 3286 G HN 0.361 nan 8.290 nan 0.000 0.539 3287 I N 0.770 121.150 120.570 -0.316 0.000 2.179 3287 I HA -0.125 4.045 4.170 0.001 0.000 0.242 3287 I C 2.850 178.805 176.117 -0.270 0.000 1.088 3287 I CA 1.054 62.167 61.300 -0.311 0.000 1.357 3287 I CB -0.898 36.919 38.000 -0.306 0.000 1.051 3287 I HN 0.205 nan 8.210 nan 0.000 0.409 3288 Q N 0.647 120.246 119.800 -0.334 0.000 2.124 3288 Q HA -0.218 4.123 4.340 0.001 0.000 0.202 3288 Q C 2.163 178.084 176.000 -0.132 0.000 0.977 3288 Q CA 1.342 56.992 55.803 -0.255 0.000 0.850 3288 Q CB -0.469 28.081 28.738 -0.314 0.000 0.901 3288 Q HN 0.525 nan 8.270 nan 0.000 0.429 3289 K N 0.452 120.780 120.400 -0.119 0.000 2.026 3289 K HA -0.099 4.222 4.320 0.001 0.000 0.208 3289 K C 2.018 178.562 176.600 -0.094 0.000 1.048 3289 K CA 1.249 57.491 56.287 -0.075 0.000 0.929 3289 K CB -0.096 32.366 32.500 -0.063 0.000 0.713 3289 K HN 0.116 nan 8.250 nan 0.000 0.439 3290 A N 1.639 124.380 122.820 -0.132 0.000 1.908 3290 A HA -0.203 4.118 4.320 0.001 0.000 0.218 3290 A C 1.807 179.282 177.584 -0.180 0.000 1.181 3290 A CA 1.838 53.782 52.037 -0.156 0.000 0.627 3290 A CB -0.696 18.196 19.000 -0.179 0.000 0.818 3290 A HN 0.417 nan 8.150 nan 0.000 0.445 3291 N N 0.231 118.827 118.700 -0.174 0.000 2.120 3291 N HA -0.110 4.630 4.740 0.001 0.000 0.188 3291 N C 1.623 177.041 175.510 -0.153 0.000 1.024 3291 N CA 1.417 54.338 53.050 -0.215 0.000 0.852 3291 N CB -0.563 37.852 38.487 -0.121 0.000 1.003 3291 N HN 0.524 nan 8.380 nan 0.000 0.424 3292 L N 1.141 122.366 121.223 0.003 0.000 2.079 3292 L HA -0.143 4.198 4.340 0.001 0.000 0.210 3292 L C 1.871 178.777 176.870 0.059 0.000 1.081 3292 L CA 1.220 56.135 54.840 0.125 0.000 0.752 3292 L CB -0.296 41.808 42.059 0.076 0.000 0.896 3292 L HN 0.215 nan 8.230 nan 0.000 0.433 3293 E N -0.296 119.869 120.200 -0.058 0.000 2.358 3293 E HA -0.072 4.278 4.350 0.001 0.000 0.195 3293 E C 2.199 178.676 176.600 -0.204 0.000 1.010 3293 E CA 0.700 57.038 56.400 -0.104 0.000 0.856 3293 E CB 0.019 29.645 29.700 -0.124 0.000 0.795 3293 E HN 0.483 nan 8.360 nan 0.000 0.504 3294 A N 0.468 123.111 122.820 -0.296 0.000 1.930 3294 A HA -0.103 4.217 4.320 0.001 0.000 0.215 3294 A C 1.592 178.991 177.584 -0.309 0.000 1.176 3294 A CA 0.439 52.185 52.037 -0.484 0.000 0.632 3294 A CB -0.832 17.855 19.000 -0.521 0.000 0.819 3294 A HN 0.325 nan 8.150 nan 0.000 0.445 3295 W N 0.384 121.707 121.300 0.038 0.000 2.321 3295 W HA -0.123 4.538 4.660 0.001 0.000 0.306 3295 W C -0.693 175.862 176.519 0.059 0.000 1.217 3295 W CA 1.359 58.783 57.345 0.132 0.000 1.257 3295 W CB -1.338 28.167 29.460 0.075 0.000 1.145 3295 W HN 0.333 nan 8.180 nan 0.000 0.509 3296 P HA -0.148 nan 4.420 nan 0.000 0.221 3296 P C 0.975 178.267 177.300 -0.013 0.000 1.150 3296 P CA 1.750 64.896 63.100 0.076 0.000 0.800 3296 P CB -0.092 31.621 31.700 0.021 0.000 0.787 3297 K N -1.569 118.714 120.400 -0.194 0.000 2.103 3297 K HA -0.121 4.200 4.320 0.001 0.000 0.204 3297 K C 2.010 178.495 176.600 -0.190 0.000 1.052 3297 K CA 1.291 57.356 56.287 -0.369 0.000 0.945 3297 K CB -0.541 31.350 32.500 -1.014 0.000 0.722 3297 K HN 0.178 nan 8.250 nan 0.000 0.443 3298 Y N 1.255 121.547 120.300 -0.013 0.000 2.224 3298 Y HA -0.149 4.402 4.550 0.001 0.000 0.289 3298 Y C 2.538 178.526 175.900 0.148 0.000 1.146 3298 Y CA 1.175 59.365 58.100 0.150 0.000 1.182 3298 Y CB -0.274 38.321 38.460 0.225 0.000 0.983 3298 Y HN 0.030 nan 8.280 nan 0.000 0.524 3299 R N 0.512 121.175 120.500 0.271 0.000 2.073 3299 R HA -0.210 4.130 4.340 0.001 0.000 0.234 3299 R C 1.908 178.286 176.300 0.130 0.000 1.134 3299 R CA 1.954 58.164 56.100 0.182 0.000 0.952 3299 R CB -0.215 30.171 30.300 0.142 0.000 0.850 3299 R HN 0.410 nan 8.270 nan 0.000 0.433 3300 Q N -0.575 119.283 119.800 0.098 0.000 2.291 3300 Q HA -0.039 4.301 4.340 0.001 0.000 0.205 3300 Q C 1.610 177.673 176.000 0.105 0.000 0.970 3300 Q CA 1.268 57.116 55.803 0.076 0.000 0.876 3300 Q CB 0.128 28.890 28.738 0.040 0.000 0.935 3300 Q HN 0.396 nan 8.270 nan 0.000 0.455 3301 A N 0.200 123.112 122.820 0.153 0.000 2.251 3301 A HA 0.363 4.684 4.320 0.001 0.000 0.209 3301 A C 1.392 179.077 177.584 0.169 0.000 1.187 3301 A CA 0.512 52.668 52.037 0.199 0.000 0.823 3301 A CB -0.295 18.897 19.000 0.320 0.000 0.846 3301 A HN 0.401 nan 8.150 nan 0.000 0.486 3302 G N -0.983 107.898 108.800 0.136 0.000 2.176 3302 G HA2 -0.189 3.772 3.960 0.001 0.000 0.252 3302 G HA3 -0.189 3.772 3.960 0.001 0.000 0.252 3302 G C 0.102 175.045 174.900 0.073 0.000 1.024 3302 G CA 0.270 45.423 45.100 0.089 0.000 0.755 3302 G HN 0.739 nan 8.290 nan 0.000 0.507 3303 V N 0.431 120.437 119.914 0.153 0.000 2.509 3303 V HA 0.485 4.606 4.120 0.001 0.000 0.284 3303 V C 0.654 176.806 176.094 0.097 0.000 1.047 3303 V CA -0.281 62.094 62.300 0.124 0.000 0.952 3303 V CB 1.822 33.831 31.823 0.309 0.000 0.988 3303 V HN 0.480 nan 8.190 nan 0.000 0.469 3304 E N 3.851 124.067 120.200 0.026 0.000 2.197 3304 E HA 0.441 4.791 4.350 0.001 0.000 0.281 3304 E C -1.320 175.367 176.600 0.145 0.000 0.995 3304 E CA -0.592 55.872 56.400 0.107 0.000 0.808 3304 E CB 1.771 31.574 29.700 0.172 0.000 1.093 3304 E HN 0.463 nan 8.360 nan 0.000 0.394 3305 V N 6.733 126.711 119.914 0.106 0.000 2.385 3305 V HA 0.253 4.374 4.120 0.001 0.000 0.269 3305 V C 0.256 176.384 176.094 0.057 0.000 1.043 3305 V CA -0.329 62.013 62.300 0.069 0.000 0.906 3305 V CB 0.584 32.406 31.823 -0.002 0.000 0.995 3305 V HN 0.655 nan 8.190 nan 0.000 0.467 3306 I N 6.268 126.880 120.570 0.069 0.000 2.385 3306 I HA 0.508 4.678 4.170 0.001 0.000 0.294 3306 I C 0.167 176.306 176.117 0.037 0.000 0.988 3306 I CA -0.568 60.761 61.300 0.048 0.000 1.265 3306 I CB 1.144 39.163 38.000 0.032 0.000 1.388 3306 I HN 0.405 nan 8.210 nan 0.000 0.480 3307 R N 6.728 127.247 120.500 0.031 0.000 2.387 3307 R HA 0.581 4.921 4.340 0.001 0.000 0.314 3307 R C -0.651 175.688 176.300 0.064 0.000 0.958 3307 R CA -0.848 55.275 56.100 0.039 0.000 0.846 3307 R CB 1.554 31.862 30.300 0.012 0.000 1.147 3307 R HN 0.552 nan 8.270 nan 0.000 0.447 3308 L N 0.967 122.254 121.223 0.106 0.000 2.468 3308 L HA 0.318 4.659 4.340 0.001 0.000 0.254 3308 L C 1.250 178.188 176.870 0.112 0.000 1.171 3308 L CA -0.343 54.584 54.840 0.146 0.000 0.809 3308 L CB 0.603 42.811 42.059 0.249 0.000 1.155 3308 L HN 0.673 nan 8.230 nan 0.000 0.473 3309 S N -0.953 114.816 115.700 0.116 0.000 2.730 3309 S HA 0.247 4.717 4.470 0.001 0.000 0.284 3309 S C 0.653 175.300 174.600 0.078 0.000 1.153 3309 S CA -0.830 57.417 58.200 0.079 0.000 0.995 3309 S CB 1.075 64.313 63.200 0.063 0.000 1.058 3309 S HN 0.546 nan 8.310 nan 0.000 0.552 3310 N N 0.780 119.508 118.700 0.046 0.000 2.244 3310 N HA -0.099 4.641 4.740 0.001 0.000 0.183 3310 N C 1.502 177.029 175.510 0.027 0.000 1.016 3310 N CA 1.261 54.331 53.050 0.033 0.000 0.866 3310 N CB -0.545 37.949 38.487 0.013 0.000 0.980 3310 N HN 0.802 nan 8.380 nan 0.000 0.430 3311 E N 1.477 121.690 120.200 0.022 0.000 2.106 3311 E HA -0.111 4.239 4.350 0.001 0.000 0.192 3311 E C 1.066 177.660 176.600 -0.010 0.000 0.984 3311 E CA 1.142 57.538 56.400 -0.007 0.000 0.806 3311 E CB -0.125 29.570 29.700 -0.009 0.000 0.750 3311 E HN 0.186 nan 8.360 nan 0.000 0.458 3312 D N -0.334 120.109 120.400 0.072 0.000 2.149 3312 D HA -0.134 4.507 4.640 0.001 0.000 0.198 3312 D C 1.977 178.401 176.300 0.206 0.000 0.990 3312 D CA 1.241 55.337 54.000 0.160 0.000 0.839 3312 D CB -0.101 40.894 40.800 0.325 0.000 0.948 3312 D HN 0.138 nan 8.370 nan 0.000 0.460 3313 V N 1.216 121.241 119.914 0.185 0.000 2.343 3313 V HA -0.222 3.899 4.120 0.001 0.000 0.247 3313 V C 2.507 178.652 176.094 0.086 0.000 1.051 3313 V CA 1.477 63.885 62.300 0.180 0.000 1.036 3313 V CB -0.369 31.511 31.823 0.096 0.000 0.654 3313 V HN 0.132 nan 8.190 nan 0.000 0.451 3314 R N -0.029 120.468 120.500 -0.005 0.000 2.096 3314 R HA -0.143 4.198 4.340 0.001 0.000 0.235 3314 R C 2.410 178.615 176.300 -0.158 0.000 1.127 3314 R CA 1.334 57.394 56.100 -0.068 0.000 0.968 3314 R CB -0.282 29.971 30.300 -0.078 0.000 0.861 3314 R HN 0.512 nan 8.270 nan 0.000 0.440 3315 K N -0.293 119.927 120.400 -0.299 0.000 2.057 3315 K HA -0.118 4.202 4.320 0.001 0.000 0.207 3315 K C 1.839 178.094 176.600 -0.576 0.000 1.049 3315 K CA 1.350 57.243 56.287 -0.657 0.000 0.931 3315 K CB -0.146 31.564 32.500 -1.316 0.000 0.714 3315 K HN 0.051 nan 8.250 nan 0.000 0.440 3316 F N 1.235 121.018 119.950 -0.277 0.000 2.186 3316 F HA -0.074 4.454 4.527 0.001 0.000 0.299 3316 F C 2.559 178.283 175.800 -0.126 0.000 1.090 3316 F CA 1.067 59.007 58.000 -0.100 0.000 1.307 3316 F CB -0.219 38.749 39.000 -0.052 0.000 1.019 3316 F HN -0.039 nan 8.300 nan 0.000 0.489 3317 R N 0.507 121.044 120.500 0.062 0.000 2.083 3317 R HA -0.187 4.153 4.340 0.001 0.000 0.237 3317 R C 2.321 178.548 176.300 -0.122 0.000 1.137 3317 R CA 1.718 57.801 56.100 -0.028 0.000 0.951 3317 R CB -0.180 30.102 30.300 -0.030 0.000 0.851 3317 R HN 0.155 nan 8.270 nan 0.000 0.434 3318 R N 0.059 120.479 120.500 -0.134 0.000 2.127 3318 R HA -0.120 4.221 4.340 0.001 0.000 0.238 3318 R C 2.292 178.511 176.300 -0.136 0.000 1.134 3318 R CA 1.499 57.511 56.100 -0.147 0.000 0.975 3318 R CB -0.254 29.952 30.300 -0.157 0.000 0.865 3318 R HN 0.295 nan 8.270 nan 0.000 0.447 3319 L N -0.608 120.552 121.223 -0.104 0.000 2.095 3319 L HA 0.003 4.343 4.340 0.001 0.000 0.204 3319 L C 2.612 179.435 176.870 -0.079 0.000 1.080 3319 L CA 0.884 55.690 54.840 -0.057 0.000 0.759 3319 L CB -0.532 41.536 42.059 0.014 0.000 0.914 3319 L HN 0.220 nan 8.230 nan 0.000 0.439 3320 A N 0.699 123.455 122.820 -0.107 0.000 1.877 3320 A HA -0.172 4.149 4.320 0.001 0.000 0.216 3320 A C 2.190 179.398 177.584 -0.626 0.000 1.186 3320 A CA 1.288 53.212 52.037 -0.188 0.000 0.620 3320 A CB -0.506 18.473 19.000 -0.035 0.000 0.822 3320 A HN 0.246 nan 8.150 nan 0.000 0.443 3321 I N 0.172 120.248 120.570 -0.823 0.000 2.118 3321 I HA -0.198 3.973 4.170 0.001 0.000 0.241 3321 I C -0.375 175.562 176.117 -0.300 0.000 1.070 3321 I CA 1.871 62.557 61.300 -1.023 0.000 1.327 3321 I CB -2.519 35.136 38.000 -0.574 0.000 1.034 3321 I HN 0.182 nan 8.210 nan 0.000 0.405 3322 P HA -0.101 nan 4.420 nan 0.000 0.216 3322 P C 2.147 179.520 177.300 0.122 0.000 1.150 3322 P CA 1.373 64.481 63.100 0.015 0.000 0.837 3322 P CB 0.006 31.683 31.700 -0.038 0.000 0.786 3323 I N -2.487 118.125 120.570 0.071 0.000 2.394 3323 I HA -0.198 3.973 4.170 0.001 0.000 0.251 3323 I C 2.011 178.307 176.117 0.298 0.000 1.136 3323 I CA 0.986 62.402 61.300 0.194 0.000 1.425 3323 I CB -0.670 37.429 38.000 0.164 0.000 1.079 3323 I HN 0.004 nan 8.210 nan 0.000 0.425 3324 W N 1.058 122.355 121.300 -0.004 0.000 2.317 3324 W HA -0.203 4.457 4.660 0.001 0.000 0.318 3324 W C 2.442 178.697 176.519 -0.441 0.000 1.227 3324 W CA 0.970 58.127 57.345 -0.313 0.000 1.269 3324 W CB -1.686 27.522 29.460 -0.421 0.000 1.155 3324 W HN 0.090 nan 8.180 nan 0.000 0.484 3325 F N 0.549 120.479 119.950 -0.034 0.000 2.171 3325 F HA -0.168 4.360 4.527 0.001 0.000 0.300 3325 F C 2.462 178.268 175.800 0.010 0.000 1.090 3325 F CA 2.049 60.010 58.000 -0.065 0.000 1.293 3325 F CB -0.784 38.244 39.000 0.046 0.000 1.013 3325 F HN -0.148 nan 8.300 nan 0.000 0.486 3326 K N -0.421 120.121 120.400 0.238 0.000 2.026 3326 K HA -0.227 4.093 4.320 0.001 0.000 0.208 3326 K C 1.968 178.608 176.600 0.067 0.000 1.048 3326 K CA 2.009 58.371 56.287 0.125 0.000 0.929 3326 K CB -0.474 32.093 32.500 0.112 0.000 0.713 3326 K HN 0.235 nan 8.250 nan 0.000 0.439 3327 W N 0.572 121.897 121.300 0.042 0.000 2.436 3327 W HA 0.029 4.690 4.660 0.001 0.000 0.284 3327 W C 2.363 178.993 176.519 0.185 0.000 1.225 3327 W CA 1.193 58.590 57.345 0.087 0.000 1.271 3327 W CB -0.351 29.102 29.460 -0.012 0.000 1.114 3327 W HN 0.252 nan 8.180 nan 0.000 0.559 3328 A N 0.554 123.520 122.820 0.242 0.000 1.902 3328 A HA -0.216 4.105 4.320 0.001 0.000 0.217 3328 A C 1.841 179.408 177.584 -0.028 0.000 1.181 3328 A CA 1.670 53.617 52.037 -0.149 0.000 0.623 3328 A CB -0.624 18.045 19.000 -0.552 0.000 0.818 3328 A HN 0.306 nan 8.150 nan 0.000 0.443 3329 K N -0.644 119.773 120.400 0.029 0.000 2.555 3329 K HA 0.093 4.414 4.320 0.001 0.000 0.193 3329 K C 1.657 178.260 176.600 0.005 0.000 1.032 3329 K CA 0.610 56.915 56.287 0.031 0.000 1.004 3329 K CB -0.231 32.302 32.500 0.056 0.000 0.804 3329 K HN 0.537 nan 8.250 nan 0.000 0.496 3330 M N 1.252 120.854 119.600 0.004 0.000 2.149 3330 M HA -0.180 4.300 4.480 0.001 0.000 0.261 3330 M C 0.203 176.500 176.300 -0.005 0.000 1.064 3330 M CA 1.451 56.735 55.300 -0.026 0.000 1.102 3330 M CB -0.340 32.231 32.600 -0.049 0.000 1.369 3330 M HN 0.250 nan 8.290 nan 0.000 0.408 3331 D N -2.397 118.015 120.400 0.019 0.000 2.713 3331 D HA 0.123 4.763 4.640 0.001 0.000 0.306 3331 D C 0.096 176.378 176.300 -0.031 0.000 1.299 3331 D CA -0.728 53.273 54.000 0.001 0.000 0.823 3331 D CB 0.269 41.087 40.800 0.031 0.000 1.353 3331 D HN 0.024 nan 8.370 nan 0.000 0.447 3332 K N -0.742 119.589 120.400 -0.115 0.000 2.152 3332 K HA -0.206 4.115 4.320 0.001 0.000 0.206 3332 K C 1.150 177.617 176.600 -0.220 0.000 1.048 3332 K CA 1.292 57.449 56.287 -0.217 0.000 0.933 3332 K CB -0.570 31.709 32.500 -0.368 0.000 0.721 3332 K HN 0.357 nan 8.250 nan 0.000 0.447 3333 Y N 2.441 122.749 120.300 0.013 0.000 2.243 3333 Y HA -0.099 4.451 4.550 0.001 0.000 0.293 3333 Y C 3.049 178.960 175.900 0.020 0.000 1.124 3333 Y CA 1.215 59.329 58.100 0.023 0.000 1.159 3333 Y CB -0.449 38.029 38.460 0.031 0.000 1.008 3333 Y HN 0.299 nan 8.280 nan 0.000 0.527 3334 S N 0.262 116.064 115.700 0.170 0.000 2.402 3334 S HA -0.166 4.305 4.470 0.001 0.000 0.229 3334 S C 1.946 176.439 174.600 -0.177 0.000 1.021 3334 S CA 0.935 59.155 58.200 0.033 0.000 0.974 3334 S CB -0.409 62.900 63.200 0.181 0.000 0.800 3334 S HN 0.392 nan 8.310 nan 0.000 0.484 3335 R N 1.039 121.499 120.500 -0.066 0.000 2.075 3335 R HA 0.038 4.379 4.340 0.001 0.000 0.232 3335 R C 2.599 178.867 176.300 -0.053 0.000 1.126 3335 R CA 1.454 57.518 56.100 -0.059 0.000 0.963 3335 R CB -0.325 29.959 30.300 -0.026 0.000 0.858 3335 R HN 0.614 nan 8.270 nan 0.000 0.435 3336 E N 0.582 120.768 120.200 -0.022 0.000 2.047 3336 E HA -0.158 4.193 4.350 0.001 0.000 0.191 3336 E C 1.977 178.599 176.600 0.037 0.000 0.987 3336 E CA 1.040 57.445 56.400 0.009 0.000 0.799 3336 E CB 0.021 29.749 29.700 0.047 0.000 0.752 3336 E HN 0.343 nan 8.360 nan 0.000 0.449 3337 A N 0.745 123.599 122.820 0.058 0.000 1.858 3337 A HA -0.189 4.131 4.320 0.001 0.000 0.216 3337 A C 1.987 179.507 177.584 -0.106 0.000 1.190 3337 A CA 1.313 53.435 52.037 0.140 0.000 0.617 3337 A CB -0.884 18.208 19.000 0.154 0.000 0.827 3337 A HN 0.462 nan 8.150 nan 0.000 0.443 3338 F N 1.084 120.703 119.950 -0.553 0.000 2.171 3338 F HA -0.023 4.504 4.527 0.001 0.000 0.300 3338 F C 2.497 178.103 175.800 -0.324 0.000 1.090 3338 F CA 0.843 58.465 58.000 -0.630 0.000 1.293 3338 F CB -0.578 37.839 39.000 -0.971 0.000 1.013 3338 F HN 0.249 nan 8.300 nan 0.000 0.486 3339 A N -0.889 121.726 122.820 -0.341 0.000 1.908 3339 A HA -0.241 4.080 4.320 0.001 0.000 0.218 3339 A C 2.426 179.858 177.584 -0.254 0.000 1.181 3339 A CA 2.125 53.980 52.037 -0.303 0.000 0.627 3339 A CB -1.483 17.448 19.000 -0.114 0.000 0.818 3339 A HN 0.448 nan 8.150 nan 0.000 0.445 3340 S N -0.875 114.760 115.700 -0.109 0.000 2.368 3340 S HA -0.199 4.272 4.470 0.001 0.000 0.224 3340 S C 2.156 176.760 174.600 0.006 0.000 1.029 3340 S CA 1.623 59.852 58.200 0.048 0.000 0.988 3340 S CB -0.352 63.031 63.200 0.305 0.000 0.838 3340 S HN 0.693 nan 8.310 nan 0.000 0.462 3341 Q N -0.008 119.651 119.800 -0.234 0.000 2.119 3341 Q HA -0.027 4.314 4.340 0.001 0.000 0.201 3341 Q C 2.157 177.926 176.000 -0.384 0.000 0.972 3341 Q CA 1.171 56.711 55.803 -0.438 0.000 0.847 3341 Q CB -0.281 28.044 28.738 -0.689 0.000 0.903 3341 Q HN 0.447 nan 8.270 nan 0.000 0.433 3342 L N 1.271 122.139 121.223 -0.592 0.000 2.093 3342 L HA -0.172 4.169 4.340 0.001 0.000 0.208 3342 L C 2.159 178.908 176.870 -0.202 0.000 1.085 3342 L CA 1.861 56.395 54.840 -0.510 0.000 0.755 3342 L CB -0.366 41.191 42.059 -0.838 0.000 0.904 3342 L HN 0.187 nan 8.230 nan 0.000 0.435 3343 E N -1.836 118.272 120.200 -0.153 0.000 2.106 3343 E HA -0.281 4.070 4.350 0.001 0.000 0.192 3343 E C 2.131 178.757 176.600 0.044 0.000 0.984 3343 E CA 1.004 57.380 56.400 -0.039 0.000 0.806 3343 E CB -0.296 29.385 29.700 -0.033 0.000 0.750 3343 E HN 0.595 nan 8.360 nan 0.000 0.458 3344 Y N 1.055 121.275 120.300 -0.134 0.000 2.163 3344 Y HA -0.148 4.403 4.550 0.001 0.000 0.288 3344 Y C 2.010 177.817 175.900 -0.155 0.000 1.136 3344 Y CA 1.566 59.587 58.100 -0.131 0.000 1.147 3344 Y CB -0.496 37.875 38.460 -0.149 0.000 0.987 3344 Y HN 0.050 nan 8.280 nan 0.000 0.509 3345 M N -0.083 119.412 119.600 -0.175 0.000 2.149 3345 M HA -0.254 4.227 4.480 0.001 0.000 0.261 3345 M C 2.062 178.354 176.300 -0.013 0.000 1.064 3345 M CA 1.836 57.013 55.300 -0.205 0.000 1.102 3345 M CB -0.335 32.208 32.600 -0.095 0.000 1.369 3345 M HN 0.136 nan 8.290 nan 0.000 0.408 3346 K N -0.133 120.282 120.400 0.026 0.000 2.155 3346 K HA -0.044 4.276 4.320 0.001 0.000 0.203 3346 K C 2.094 178.729 176.600 0.059 0.000 1.052 3346 K CA 1.230 57.555 56.287 0.063 0.000 0.948 3346 K CB -0.371 32.164 32.500 0.059 0.000 0.728 3346 K HN 0.436 nan 8.250 nan 0.000 0.448 3347 G N 2.066 110.902 108.800 0.059 0.000 2.432 3347 G HA2 -0.185 3.775 3.960 0.001 0.000 0.219 3347 G HA3 -0.185 3.775 3.960 0.001 0.000 0.219 3347 G C 1.385 176.325 174.900 0.066 0.000 1.135 3347 G CA 0.717 45.863 45.100 0.076 0.000 0.767 3347 G HN 0.439 nan 8.290 nan 0.000 0.550 3348 I N -3.189 117.393 120.570 0.021 0.000 3.914 3348 I HA 0.535 4.705 4.170 0.001 0.000 0.333 3348 I C 1.282 177.475 176.117 0.128 0.000 1.449 3348 I CA 0.155 61.463 61.300 0.014 0.000 1.135 3348 I CB 0.114 38.010 38.000 -0.173 0.000 1.073 3348 I HN 0.135 nan 8.210 nan 0.000 0.401 3349 G N 1.236 110.114 108.800 0.131 0.000 2.153 3349 G HA2 -0.343 3.618 3.960 0.001 0.000 0.252 3349 G HA3 -0.343 3.618 3.960 0.001 0.000 0.252 3349 G C 0.260 175.295 174.900 0.224 0.000 0.994 3349 G CA 0.562 45.755 45.100 0.155 0.000 0.698 3349 G HN 0.507 nan 8.290 nan 0.000 0.521 3350 Y N -0.362 119.932 120.300 -0.009 0.000 2.516 3350 Y HA 0.345 4.896 4.550 0.001 0.000 0.291 3350 Y C 1.666 177.623 175.900 0.094 0.000 1.131 3350 Y CA 0.787 58.896 58.100 0.015 0.000 1.281 3350 Y CB 0.464 38.895 38.460 -0.048 0.000 1.013 3350 Y HN 0.714 nan 8.280 nan 0.000 0.554 3351 V N -2.686 117.367 119.914 0.232 0.000 2.971 3351 V HA 0.710 4.831 4.120 0.001 0.000 0.309 3351 V C -0.325 175.856 176.094 0.144 0.000 1.130 3351 V CA -0.791 61.638 62.300 0.215 0.000 0.964 3351 V CB 1.451 33.466 31.823 0.319 0.000 1.029 3351 V HN 0.020 nan 8.190 nan 0.000 0.427 3352 T N -1.614 113.006 114.554 0.111 0.000 2.940 3352 T HA 0.466 4.816 4.350 0.001 0.000 0.288 3352 T C 0.329 175.075 174.700 0.078 0.000 1.033 3352 T CA -0.372 61.775 62.100 0.078 0.000 1.033 3352 T CB 1.836 70.732 68.868 0.047 0.000 1.079 3352 T HN 0.663 nan 8.240 nan 0.000 0.496 3353 D N 1.009 121.447 120.400 0.062 0.000 2.178 3353 D HA -0.045 4.596 4.640 0.001 0.000 0.201 3353 D C 2.391 178.711 176.300 0.033 0.000 0.980 3353 D CA 1.711 55.743 54.000 0.055 0.000 0.842 3353 D CB -0.351 40.475 40.800 0.042 0.000 0.948 3353 D HN 0.919 nan 8.370 nan 0.000 0.472 3354 E N 1.615 121.828 120.200 0.022 0.000 2.058 3354 E HA -0.240 4.110 4.350 0.001 0.000 0.194 3354 E C 1.853 178.451 176.600 -0.005 0.000 0.997 3354 E CA 1.495 57.898 56.400 0.004 0.000 0.801 3354 E CB -0.955 28.746 29.700 0.001 0.000 0.746 3354 E HN 0.510 nan 8.360 nan 0.000 0.450 3355 E N -0.169 120.035 120.200 0.006 0.000 2.204 3355 E HA -0.010 4.341 4.350 0.001 0.000 0.195 3355 E C 2.011 178.603 176.600 -0.013 0.000 0.990 3355 E CA 0.932 57.327 56.400 -0.009 0.000 0.821 3355 E CB -0.109 29.594 29.700 0.005 0.000 0.750 3355 E HN 0.517 nan 8.360 nan 0.000 0.477 3356 L N 0.740 121.976 121.223 0.021 0.000 2.611 3356 L HA 0.082 4.422 4.340 0.001 0.000 0.229 3356 L C 1.096 177.922 176.870 -0.072 0.000 1.137 3356 L CA -0.297 54.545 54.840 0.003 0.000 0.901 3356 L CB -0.627 41.501 42.059 0.115 0.000 1.098 3356 L HN -0.039 nan 8.230 nan 0.000 0.456 3357 K N 1.210 121.576 120.400 -0.056 0.000 2.473 3357 K HA 0.287 4.607 4.320 0.001 0.000 0.277 3357 K C 1.310 177.851 176.600 -0.099 0.000 1.052 3357 K CA 0.611 56.861 56.287 -0.062 0.000 1.114 3357 K CB -0.942 31.529 32.500 -0.047 0.000 0.869 3357 K HN 0.522 nan 8.250 nan 0.000 0.481 3358 G N 0.824 109.565 108.800 -0.097 0.000 2.143 3358 G HA2 -0.189 3.771 3.960 0.001 0.000 0.248 3358 G HA3 -0.189 3.771 3.960 0.001 0.000 0.248 3358 G C 0.020 174.808 174.900 -0.187 0.000 0.991 3358 G CA 0.368 45.401 45.100 -0.113 0.000 0.689 3358 G HN 0.844 nan 8.290 nan 0.000 0.522 3359 L N 0.640 121.691 121.223 -0.287 0.000 2.349 3359 L HA 0.756 5.097 4.340 0.001 0.000 0.278 3359 L C -0.049 176.531 176.870 -0.483 0.000 0.996 3359 L CA -0.688 53.799 54.840 -0.588 0.000 0.825 3359 L CB 2.270 43.676 42.059 -1.088 0.000 1.243 3359 L HN 0.162 nan 8.230 nan 0.000 0.412 3360 S N 2.490 118.039 115.700 -0.252 0.000 2.575 3360 S HA 0.882 5.353 4.470 0.001 0.000 0.278 3360 S C -0.409 174.395 174.600 0.340 0.000 1.139 3360 S CA -0.430 57.832 58.200 0.103 0.000 0.954 3360 S CB 1.480 64.715 63.200 0.058 0.000 1.054 3360 S HN 0.492 nan 8.310 nan 0.000 0.483 3361 L N 0.000 121.541 121.223 0.530 0.000 2.949 3361 L HA 0.000 4.341 4.340 0.001 0.000 0.249 3361 L CA 0.000 55.093 54.840 0.421 0.000 0.813 3361 L CB 0.000 42.313 42.059 0.423 0.000 0.961 3361 L HN 0.000 nan 8.230 nan 0.000 0.502