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 2hrr_1_C DATA FIRST_RESID 3022 DATA SEQUENCE SPPVVDTVHG KVLGKFVSLE GFAQPVAIFL GIPFAKPPLG PLRFTPPQPA DATA SEQUENCE EPWSFVKNAT SYPPMcTQDP KAGQLLSELF TNRKENIPLK LSEDcLYLNI DATA SEQUENCE YTPADLTKKN RLPVMVWIHG GGLMVGAAST YDGLALAAHE NVVVVTIQYR DATA SEQUENCE LGIWGFFSTG DEHSRGNWGH LDQVAALRWV QDNIASFGGN PGSVTIFGES DATA SEQUENCE AGGESVSVLV LSPLAKNLFH RAISESGVAL TSVLVKKGDV KPLAEQIAIT DATA SEQUENCE AGcKTTTSAV MVHcLRQKTE EELLETTLKM KFLSLDLQGD PRESQPLLGT DATA SEQUENCE VIDGMLLLKT PEELQAERNF HTVPYMVGIN KQEFGWLIPM XLMSYPLSEG DATA SEQUENCE QLDQKTAMSL LWKSYPLVCI AKELIPEATE KYLGGTDDTV KKKDLFLDLI DATA SEQUENCE ADVMFGVPSV IVARNHRDAG APTYMYEFQY RPSFSSDMKP KTVIGDHGDE DATA SEQUENCE LFSVFGAPFL KEGASEEEIR LSKMVMKFWA NFARNGNPNG EGLPHWPEYN DATA SEQUENCE QKEGYLQIGA NTQAAQKLKD KEVAFWTNLF AK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3022 S HA 0.000 nan 4.470 nan 0.000 0.327 3022 S C 0.000 174.725 174.600 0.208 0.000 1.055 3022 S CA 0.000 58.298 58.200 0.164 0.000 1.107 3022 S CB 0.000 63.271 63.200 0.118 0.000 0.593 3023 P HA 0.134 nan 4.420 nan 0.000 0.261 3023 P C -2.521 174.712 177.300 -0.112 0.000 1.165 3023 P CA -0.339 62.712 63.100 -0.082 0.000 0.759 3023 P CB -0.200 31.464 31.700 -0.060 0.000 0.772 3024 P HA 0.109 nan 4.420 nan 0.000 0.281 3024 P C -1.002 176.333 177.300 0.058 0.000 1.252 3024 P CA 0.041 63.029 63.100 -0.187 0.000 0.778 3024 P CB 0.905 32.303 31.700 -0.505 0.000 0.895 3025 V N 4.688 124.669 119.914 0.112 0.000 2.444 3025 V HA 0.284 4.405 4.120 0.002 0.000 0.294 3025 V C 0.281 176.412 176.094 0.061 0.000 1.022 3025 V CA -0.663 61.719 62.300 0.138 0.000 0.850 3025 V CB 2.130 34.014 31.823 0.102 0.000 0.992 3025 V HN 0.304 nan 8.190 nan 0.000 0.426 3026 V N 4.271 124.182 119.914 -0.006 0.000 2.628 3026 V HA 0.477 4.598 4.120 0.002 0.000 0.306 3026 V C -0.477 175.533 176.094 -0.140 0.000 1.045 3026 V CA -0.771 61.379 62.300 -0.250 0.000 0.905 3026 V CB 2.280 33.588 31.823 -0.858 0.000 0.997 3026 V HN 0.989 nan 8.190 nan 0.000 0.436 3027 D N 2.386 122.694 120.400 -0.153 0.000 2.396 3027 D HA 0.245 4.887 4.640 0.002 0.000 0.225 3027 D C 0.176 176.411 176.300 -0.109 0.000 1.121 3027 D CA -0.199 53.753 54.000 -0.080 0.000 0.853 3027 D CB 1.672 42.426 40.800 -0.077 0.000 1.043 3027 D HN 0.603 nan 8.370 nan 0.000 0.500 3028 T N -1.274 113.271 114.554 -0.015 0.000 2.862 3028 T HA 0.202 4.553 4.350 0.002 0.000 0.276 3028 T C 1.627 176.232 174.700 -0.157 0.000 0.974 3028 T CA -0.733 61.357 62.100 -0.016 0.000 0.966 3028 T CB 1.198 70.247 68.868 0.301 0.000 1.072 3028 T HN 0.095 nan 8.240 nan 0.000 0.538 3029 V N 1.235 120.989 119.914 -0.266 0.000 2.324 3029 V HA -0.174 3.947 4.120 0.002 0.000 0.250 3029 V C 2.218 178.052 176.094 -0.433 0.000 1.060 3029 V CA 1.822 63.892 62.300 -0.384 0.000 1.042 3029 V CB -1.092 30.405 31.823 -0.544 0.000 0.650 3029 V HN 0.875 nan 8.190 nan 0.000 0.450 3030 H N -0.393 118.482 119.070 -0.324 0.000 2.526 3030 H HA 0.497 5.055 4.556 0.002 0.000 0.274 3030 H C 0.892 175.322 175.328 -1.497 0.000 0.999 3030 H CA 0.822 56.429 56.048 -0.735 0.000 1.157 3030 H CB 0.293 29.654 29.762 -0.667 0.000 1.407 3030 H HN 0.529 nan 8.280 nan 0.000 0.568 3031 G N 0.336 108.612 108.800 -0.873 0.000 2.351 3031 G HA2 -0.039 3.922 3.960 0.002 0.000 0.353 3031 G HA3 -0.039 3.922 3.960 0.002 0.000 0.353 3031 G C -1.277 173.642 174.900 0.031 0.000 1.358 3031 G CA -1.188 43.427 45.100 -0.809 0.000 0.995 3031 G HN 0.050 nan 8.290 nan 0.000 0.611 3032 K N -0.370 120.195 120.400 0.276 0.000 2.270 3032 K HA 0.546 4.867 4.320 0.002 0.000 0.276 3032 K C 0.338 177.252 176.600 0.524 0.000 1.023 3032 K CA -0.436 56.054 56.287 0.339 0.000 0.955 3032 K CB 1.860 34.494 32.500 0.222 0.000 0.975 3032 K HN 1.069 nan 8.250 nan 0.000 0.471 3033 V N 1.057 121.203 119.914 0.388 0.000 2.540 3033 V HA 0.434 4.555 4.120 0.002 0.000 0.302 3033 V C -0.742 175.572 176.094 0.366 0.000 1.035 3033 V CA -1.115 61.414 62.300 0.381 0.000 0.873 3033 V CB 1.617 33.711 31.823 0.451 0.000 0.992 3033 V HN 0.585 nan 8.190 nan 0.000 0.428 3034 L N 5.367 126.758 121.223 0.279 0.000 2.272 3034 L HA 0.884 5.225 4.340 0.002 0.000 0.289 3034 L C 0.367 177.288 176.870 0.085 0.000 1.032 3034 L CA 0.743 55.692 54.840 0.182 0.000 0.810 3034 L CB 0.772 42.881 42.059 0.083 0.000 1.205 3034 L HN 1.012 nan 8.230 nan 0.000 0.422 3035 G N 5.334 114.043 108.800 -0.151 0.000 3.008 3035 G HA2 0.606 4.568 3.960 0.002 0.000 0.181 3035 G HA3 0.606 4.568 3.960 0.002 0.000 0.181 3035 G C -1.129 173.419 174.900 -0.586 0.000 1.309 3035 G CA -0.476 44.195 45.100 -0.716 0.000 1.009 3035 G HN 0.714 nan 8.290 nan 0.000 0.584 3036 K N -1.147 118.837 120.400 -0.692 0.000 2.546 3036 K HA 0.503 4.824 4.320 0.002 0.000 0.264 3036 K C -1.849 174.500 176.600 -0.418 0.000 0.937 3036 K CA -0.808 55.208 56.287 -0.452 0.000 0.833 3036 K CB 1.665 34.017 32.500 -0.246 0.000 1.378 3036 K HN 0.296 nan 8.250 nan 0.000 0.432 3037 F N 1.378 121.268 119.950 -0.100 0.000 2.396 3037 F HA 0.430 4.958 4.527 0.002 0.000 0.343 3037 F C -0.046 175.744 175.800 -0.016 0.000 1.104 3037 F CA -0.684 57.290 58.000 -0.043 0.000 1.161 3037 F CB 1.910 40.906 39.000 -0.008 0.000 1.146 3037 F HN 0.101 nan 8.300 nan 0.000 0.522 3038 V N 2.204 122.259 119.914 0.235 0.000 2.789 3038 V HA 0.406 4.527 4.120 0.002 0.000 0.311 3038 V C -0.726 175.456 176.094 0.146 0.000 1.073 3038 V CA -0.768 61.623 62.300 0.153 0.000 0.921 3038 V CB 2.354 34.253 31.823 0.127 0.000 1.009 3038 V HN 0.727 nan 8.190 nan 0.000 0.426 3039 S N 3.619 119.389 115.700 0.118 0.000 2.454 3039 S HA 0.650 5.121 4.470 0.002 0.000 0.306 3039 S C -0.798 173.876 174.600 0.123 0.000 1.100 3039 S CA -0.396 57.870 58.200 0.111 0.000 1.087 3039 S CB 1.486 64.741 63.200 0.092 0.000 1.019 3039 S HN 0.561 nan 8.310 nan 0.000 0.480 3040 L N 3.678 124.986 121.223 0.141 0.000 2.262 3040 L HA 0.460 4.801 4.340 0.002 0.000 0.288 3040 L C 0.081 177.118 176.870 0.278 0.000 1.035 3040 L CA -0.515 54.431 54.840 0.176 0.000 0.820 3040 L CB 0.489 42.595 42.059 0.079 0.000 1.204 3040 L HN 0.673 nan 8.230 nan 0.000 0.424 3041 E N 4.225 124.550 120.200 0.209 0.000 3.495 3041 E HA 0.158 4.509 4.350 0.002 0.000 0.272 3041 E C 1.200 177.901 176.600 0.169 0.000 0.845 3041 E CA 1.715 58.216 56.400 0.169 0.000 0.974 3041 E CB -0.183 29.608 29.700 0.151 0.000 0.919 3041 E HN 0.915 nan 8.360 nan 0.000 0.556 3042 G N 3.365 112.200 108.800 0.058 0.000 2.308 3042 G HA2 -0.278 3.683 3.960 0.002 0.000 0.221 3042 G HA3 -0.278 3.683 3.960 0.002 0.000 0.221 3042 G C 0.032 174.775 174.900 -0.262 0.000 1.032 3042 G CA -0.089 44.937 45.100 -0.123 0.000 0.623 3042 G HN 0.428 nan 8.290 nan 0.000 0.506 3043 F N 1.807 121.725 119.950 -0.052 0.000 2.420 3043 F HA 0.694 5.222 4.527 0.002 0.000 0.352 3043 F C 1.515 177.292 175.800 -0.039 0.000 1.108 3043 F CA 0.071 58.032 58.000 -0.065 0.000 1.162 3043 F CB 1.594 40.542 39.000 -0.086 0.000 1.118 3043 F HN 0.209 nan 8.300 nan 0.000 0.510 3044 A N 2.185 125.054 122.820 0.081 0.000 1.872 3044 A HA -0.128 4.194 4.320 0.002 0.000 0.214 3044 A C 1.203 178.814 177.584 0.045 0.000 1.187 3044 A CA 0.658 52.719 52.037 0.039 0.000 0.614 3044 A CB -0.552 18.449 19.000 0.002 0.000 0.826 3044 A HN 0.654 nan 8.150 nan 0.000 0.442 3045 Q N 1.233 121.077 119.800 0.073 0.000 2.262 3045 Q HA 0.294 4.635 4.340 0.002 0.000 0.272 3045 Q C -2.600 173.427 176.000 0.046 0.000 1.076 3045 Q CA -1.877 53.952 55.803 0.043 0.000 0.905 3045 Q CB 0.172 28.949 28.738 0.066 0.000 1.182 3045 Q HN 0.268 nan 8.270 nan 0.000 0.390 3046 P HA 0.074 nan 4.420 nan 0.000 0.272 3046 P C -1.186 176.200 177.300 0.144 0.000 1.223 3046 P CA -0.385 62.723 63.100 0.014 0.000 0.784 3046 P CB 0.798 32.368 31.700 -0.217 0.000 0.923 3047 V N 1.785 121.827 119.914 0.214 0.000 2.394 3047 V HA 0.498 4.619 4.120 0.002 0.000 0.282 3047 V C 0.336 176.629 176.094 0.332 0.000 1.031 3047 V CA -0.736 61.713 62.300 0.248 0.000 0.881 3047 V CB 1.044 32.976 31.823 0.182 0.000 0.982 3047 V HN 0.668 nan 8.190 nan 0.000 0.451 3048 A N 7.081 130.110 122.820 0.347 0.000 2.347 3048 A HA 0.685 5.006 4.320 0.002 0.000 0.287 3048 A C -0.350 177.241 177.584 0.013 0.000 1.199 3048 A CA -0.133 51.982 52.037 0.131 0.000 0.851 3048 A CB -0.222 18.963 19.000 0.308 0.000 1.118 3048 A HN 0.774 nan 8.150 nan 0.000 0.525 3049 I N 2.735 123.120 120.570 -0.307 0.000 2.362 3049 I HA 0.377 4.548 4.170 0.002 0.000 0.289 3049 I C -1.169 174.549 176.117 -0.665 0.000 0.994 3049 I CA -0.254 60.825 61.300 -0.370 0.000 1.158 3049 I CB 1.358 39.201 38.000 -0.261 0.000 1.315 3049 I HN 0.536 nan 8.210 nan 0.000 0.451 3050 F N 6.763 126.558 119.950 -0.259 0.000 2.449 3050 F HA 0.525 5.053 4.527 0.002 0.000 0.342 3050 F C -0.298 175.344 175.800 -0.263 0.000 1.127 3050 F CA -0.578 57.316 58.000 -0.177 0.000 0.975 3050 F CB 1.277 40.258 39.000 -0.031 0.000 1.146 3050 F HN 0.114 nan 8.300 nan 0.000 0.444 3051 L N 2.997 124.134 121.223 -0.143 0.000 2.305 3051 L HA 0.663 5.005 4.340 0.002 0.000 0.284 3051 L C 0.549 177.330 176.870 -0.149 0.000 1.013 3051 L CA -0.850 53.865 54.840 -0.209 0.000 0.819 3051 L CB 1.574 43.373 42.059 -0.433 0.000 1.227 3051 L HN 0.905 nan 8.230 nan 0.000 0.417 3052 G N 3.759 112.504 108.800 -0.091 0.000 2.255 3052 G HA2 -0.213 3.748 3.960 0.002 0.000 0.239 3052 G HA3 -0.213 3.748 3.960 0.002 0.000 0.239 3052 G C -0.280 174.680 174.900 0.100 0.000 1.083 3052 G CA -0.583 44.456 45.100 -0.102 0.000 0.826 3052 G HN 0.512 nan 8.290 nan 0.000 0.493 3053 I N 2.359 122.983 120.570 0.090 0.000 2.337 3053 I HA 0.236 4.407 4.170 0.002 0.000 0.291 3053 I C -1.431 174.680 176.117 -0.010 0.000 1.046 3053 I CA -2.154 59.158 61.300 0.020 0.000 1.324 3053 I CB 1.200 39.125 38.000 -0.124 0.000 1.409 3053 I HN 0.010 nan 8.210 nan 0.000 0.494 3054 P HA 0.027 nan 4.420 nan 0.000 0.276 3054 P C -0.271 176.873 177.300 -0.259 0.000 1.235 3054 P CA -0.004 62.841 63.100 -0.426 0.000 0.772 3054 P CB 0.541 32.009 31.700 -0.386 0.000 0.871 3055 F N 1.267 120.997 119.950 -0.366 0.000 2.688 3055 F HA 0.759 5.287 4.527 0.002 0.000 0.310 3055 F C -0.100 175.688 175.800 -0.019 0.000 1.098 3055 F CA -1.062 56.780 58.000 -0.263 0.000 1.228 3055 F CB 0.137 38.883 39.000 -0.423 0.000 1.042 3055 F HN 0.402 nan 8.300 nan 0.000 0.557 3056 A N 0.461 123.038 122.820 -0.405 0.000 2.601 3056 A HA 0.472 4.793 4.320 0.002 0.000 0.291 3056 A C -1.312 176.098 177.584 -0.289 0.000 1.075 3056 A CA -1.147 50.736 52.037 -0.257 0.000 0.671 3056 A CB 0.804 19.605 19.000 -0.331 0.000 1.277 3056 A HN 0.203 nan 8.150 nan 0.000 0.417 3057 K N 0.689 120.987 120.400 -0.170 0.000 2.350 3057 K HA 0.384 4.705 4.320 0.002 0.000 0.279 3057 K C -2.403 174.076 176.600 -0.202 0.000 1.027 3057 K CA -1.386 54.807 56.287 -0.156 0.000 0.969 3057 K CB 0.307 32.750 32.500 -0.094 0.000 0.954 3057 K HN 0.320 nan 8.250 nan 0.000 0.474 3058 P HA -0.003 nan 4.420 nan 0.000 0.260 3058 P C -2.384 174.825 177.300 -0.153 0.000 1.207 3058 P CA -0.875 62.112 63.100 -0.188 0.000 0.780 3058 P CB 0.234 31.854 31.700 -0.133 0.000 0.789 3059 P HA 0.017 nan 4.420 nan 0.000 0.235 3059 P C -0.553 176.656 177.300 -0.151 0.000 1.720 3059 P CA 0.523 63.529 63.100 -0.156 0.000 1.003 3059 P CB 0.004 31.609 31.700 -0.159 0.000 1.968 3060 L N -0.017 121.131 121.223 -0.126 0.000 2.375 3060 L HA 0.511 4.852 4.340 0.002 0.000 0.268 3060 L C 1.789 178.595 176.870 -0.107 0.000 1.058 3060 L CA -0.264 54.512 54.840 -0.107 0.000 0.803 3060 L CB 0.533 42.542 42.059 -0.083 0.000 1.212 3060 L HN 0.296 nan 8.230 nan 0.000 0.451 3061 G N 1.892 110.635 108.800 -0.096 0.000 2.690 3061 G HA2 -0.314 3.647 3.960 0.002 0.000 0.334 3061 G HA3 -0.314 3.647 3.960 0.002 0.000 0.334 3061 G C -1.088 173.750 174.900 -0.104 0.000 1.250 3061 G CA 0.492 45.539 45.100 -0.087 0.000 0.994 3061 G HN 0.633 nan 8.290 nan 0.000 0.549 3062 P HA -0.011 nan 4.420 nan 0.000 0.221 3062 P C 1.905 179.150 177.300 -0.092 0.000 1.145 3062 P CA 1.533 64.600 63.100 -0.055 0.000 0.795 3062 P CB -0.156 31.529 31.700 -0.024 0.000 0.775 3063 L N -1.212 119.937 121.223 -0.123 0.000 2.599 3063 L HA 0.099 4.440 4.340 0.002 0.000 0.230 3063 L C 1.726 178.439 176.870 -0.261 0.000 1.141 3063 L CA -0.164 54.581 54.840 -0.158 0.000 0.877 3063 L CB -0.521 41.461 42.059 -0.129 0.000 1.009 3063 L HN -0.063 nan 8.230 nan 0.000 0.447 3064 R N 0.834 121.137 120.500 -0.328 0.000 2.442 3064 R HA 0.054 4.396 4.340 0.002 0.000 0.291 3064 R C -0.326 175.542 176.300 -0.720 0.000 1.069 3064 R CA -0.193 55.532 56.100 -0.624 0.000 1.022 3064 R CB 0.228 30.069 30.300 -0.766 0.000 0.976 3064 R HN 0.072 nan 8.270 nan 0.000 0.443 3065 F N 0.260 119.863 119.950 -0.577 0.000 3.058 3065 F HA -0.254 4.275 4.527 0.003 0.000 0.295 3065 F C -0.112 174.712 175.800 -1.626 0.000 0.875 3065 F CA 1.183 58.473 58.000 -1.185 0.000 1.150 3065 F CB -2.629 36.125 39.000 -0.410 0.000 1.175 3065 F HN 0.637 nan 8.300 nan 0.000 0.599 3066 T N -3.308 110.556 114.554 -1.149 0.000 2.896 3066 T HA 0.785 5.136 4.350 0.002 0.000 0.297 3066 T C -2.975 171.539 174.700 -0.311 0.000 1.108 3066 T CA -2.521 59.149 62.100 -0.717 0.000 1.004 3066 T CB 3.287 71.988 68.868 -0.279 0.000 1.159 3066 T HN -0.232 nan 8.240 nan 0.000 0.499 3067 P HA 0.229 nan 4.420 nan 0.000 0.267 3067 P C -2.318 175.048 177.300 0.109 0.000 1.200 3067 P CA -0.867 62.379 63.100 0.244 0.000 0.772 3067 P CB -0.338 31.508 31.700 0.242 0.000 0.855 3068 P HA 0.010 nan 4.420 nan 0.000 0.268 3068 P C -0.746 176.600 177.300 0.076 0.000 1.205 3068 P CA 0.328 63.477 63.100 0.082 0.000 0.771 3068 P CB 0.793 32.580 31.700 0.146 0.000 0.858 3069 Q N 2.896 122.713 119.800 0.028 0.000 2.248 3069 Q HA 0.452 4.794 4.340 0.002 0.000 0.263 3069 Q C -2.333 173.692 176.000 0.042 0.000 1.007 3069 Q CA -2.234 53.590 55.803 0.035 0.000 0.877 3069 Q CB 0.740 29.480 28.738 0.003 0.000 1.315 3069 Q HN 0.352 nan 8.270 nan 0.000 0.454 3070 P HA -0.017 nan 4.420 nan 0.000 0.268 3070 P C -1.137 176.154 177.300 -0.015 0.000 1.205 3070 P CA 0.191 63.350 63.100 0.099 0.000 0.771 3070 P CB 0.459 32.240 31.700 0.135 0.000 0.858 3071 A N 2.952 125.747 122.820 -0.041 0.000 2.425 3071 A HA 0.136 4.457 4.320 0.002 0.000 0.249 3071 A C 0.421 177.809 177.584 -0.326 0.000 1.084 3071 A CA -0.256 51.705 52.037 -0.127 0.000 0.781 3071 A CB -0.127 18.889 19.000 0.027 0.000 1.019 3071 A HN 0.448 nan 8.150 nan 0.000 0.490 3072 E N 2.589 122.704 120.200 -0.143 0.000 2.373 3072 E HA 0.232 4.583 4.350 0.002 0.000 0.267 3072 E C -2.143 174.407 176.600 -0.084 0.000 1.032 3072 E CA -1.475 54.853 56.400 -0.120 0.000 0.889 3072 E CB 0.183 29.870 29.700 -0.022 0.000 0.984 3072 E HN 0.500 nan 8.360 nan 0.000 0.425 3073 P HA 0.112 nan 4.420 nan 0.000 0.274 3073 P C -0.805 176.506 177.300 0.018 0.000 1.231 3073 P CA -0.315 62.677 63.100 -0.179 0.000 0.790 3073 P CB 0.310 31.919 31.700 -0.153 0.000 0.951 3074 W N 0.850 122.164 121.300 0.023 0.000 2.639 3074 W HA 0.600 5.261 4.660 0.002 0.000 0.347 3074 W C 0.755 177.239 176.519 -0.059 0.000 1.067 3074 W CA -0.621 56.722 57.345 -0.003 0.000 1.218 3074 W CB -0.205 29.279 29.460 0.041 0.000 1.393 3074 W HN 0.159 nan 8.180 nan 0.000 0.557 3075 S N 0.955 116.684 115.700 0.048 0.000 2.343 3075 S HA -0.026 4.446 4.470 0.002 0.000 0.212 3075 S C 0.882 175.277 174.600 -0.342 0.000 1.033 3075 S CA 0.865 58.875 58.200 -0.316 0.000 1.004 3075 S CB -0.464 62.331 63.200 -0.676 0.000 0.977 3075 S HN 0.449 nan 8.310 nan 0.000 0.427 3076 F N 0.804 120.870 119.950 0.195 0.000 2.465 3076 F HA 0.371 4.899 4.527 0.002 0.000 0.200 3076 F C 0.530 176.480 175.800 0.250 0.000 0.882 3076 F CA -0.877 57.223 58.000 0.167 0.000 1.036 3076 F CB -0.557 38.511 39.000 0.113 0.000 2.209 3076 F HN -0.153 nan 8.300 nan 0.000 0.669 3077 V N 1.209 121.380 119.914 0.429 0.000 2.432 3077 V HA 0.143 4.264 4.120 0.002 0.000 0.271 3077 V C -0.072 176.164 176.094 0.237 0.000 1.046 3077 V CA -0.875 61.611 62.300 0.311 0.000 0.945 3077 V CB 0.704 32.652 31.823 0.208 0.000 0.992 3077 V HN 0.374 nan 8.190 nan 0.000 0.471 3078 K N 4.762 125.284 120.400 0.203 0.000 2.258 3078 K HA 0.173 4.494 4.320 0.002 0.000 0.284 3078 K C 0.302 176.903 176.600 0.002 0.000 1.051 3078 K CA -0.453 55.800 56.287 -0.057 0.000 0.923 3078 K CB 0.387 32.573 32.500 -0.523 0.000 1.046 3078 K HN 0.638 nan 8.250 nan 0.000 0.474 3079 N N 3.568 122.249 118.700 -0.031 0.000 2.605 3079 N HA 0.049 4.790 4.740 0.002 0.000 0.258 3079 N C -1.101 174.375 175.510 -0.057 0.000 1.156 3079 N CA 0.016 53.050 53.050 -0.027 0.000 1.008 3079 N CB 0.671 39.135 38.487 -0.039 0.000 1.354 3079 N HN 0.595 nan 8.380 nan 0.000 0.509 3080 A N 2.877 125.690 122.820 -0.011 0.000 3.091 3080 A HA 0.174 4.495 4.320 0.002 0.000 0.264 3080 A C 0.976 178.494 177.584 -0.111 0.000 1.673 3080 A CA -0.407 51.612 52.037 -0.030 0.000 1.362 3080 A CB -0.661 18.406 19.000 0.111 0.000 1.137 3080 A HN 0.541 nan 8.150 nan 0.000 0.617 3081 T N -3.080 111.380 114.554 -0.158 0.000 3.288 3081 T HA 0.432 4.783 4.350 0.002 0.000 0.293 3081 T C 0.065 174.615 174.700 -0.248 0.000 1.008 3081 T CA -0.106 61.867 62.100 -0.211 0.000 0.929 3081 T CB -0.135 68.633 68.868 -0.166 0.000 1.152 3081 T HN 0.198 nan 8.240 nan 0.000 0.517 3082 S N 0.518 116.057 115.700 -0.268 0.000 2.541 3082 S HA 0.602 5.073 4.470 0.002 0.000 0.280 3082 S C -1.339 173.076 174.600 -0.309 0.000 1.112 3082 S CA -0.759 57.285 58.200 -0.261 0.000 0.925 3082 S CB 0.956 64.057 63.200 -0.165 0.000 1.067 3082 S HN 0.352 nan 8.310 nan 0.000 0.479 3083 Y N 3.526 123.757 120.300 -0.115 0.000 2.526 3083 Y HA 0.207 4.758 4.550 0.002 0.000 0.330 3083 Y C -1.447 174.339 175.900 -0.190 0.000 1.156 3083 Y CA -0.970 57.060 58.100 -0.117 0.000 1.419 3083 Y CB 0.019 38.430 38.460 -0.081 0.000 1.250 3083 Y HN 0.399 nan 8.280 nan 0.000 0.540 3084 P HA 0.206 nan 4.420 nan 0.000 0.276 3084 P C -2.702 174.499 177.300 -0.165 0.000 1.261 3084 P CA -1.688 61.217 63.100 -0.325 0.000 0.800 3084 P CB 0.622 32.032 31.700 -0.484 0.000 1.066 3085 P HA 0.217 nan 4.420 nan 0.000 0.274 3085 P C -0.053 177.198 177.300 -0.082 0.000 1.237 3085 P CA -0.107 62.922 63.100 -0.118 0.000 0.793 3085 P CB 0.216 31.843 31.700 -0.122 0.000 0.977 3086 M N -0.114 119.427 119.600 -0.098 0.000 2.342 3086 M HA 0.450 4.931 4.480 0.002 0.000 0.332 3086 M C -0.620 175.597 176.300 -0.138 0.000 1.166 3086 M CA -0.526 54.711 55.300 -0.105 0.000 1.086 3086 M CB 0.414 32.934 32.600 -0.133 0.000 1.541 3086 M HN 0.117 nan 8.290 nan 0.000 0.462 3087 c N 1.789 120.300 118.600 -0.148 0.000 2.679 3087 c HA 0.142 4.713 4.570 0.002 0.000 0.417 3087 c C 0.908 174.812 174.090 -0.310 0.000 1.302 3087 c CA -0.216 55.975 56.329 -0.229 0.000 1.973 3087 c CB -0.248 42.147 42.510 -0.192 0.000 2.715 3087 c HN 0.868 nan 8.230 nan 0.000 0.628 3088 T N 4.371 118.595 114.554 -0.551 0.000 2.849 3088 T HA 0.249 4.600 4.350 0.002 0.000 0.289 3088 T C 0.016 174.489 174.700 -0.378 0.000 1.010 3088 T CA 0.505 62.212 62.100 -0.654 0.000 1.161 3088 T CB -0.241 67.754 68.868 -1.455 0.000 0.989 3088 T HN 0.874 nan 8.240 nan 0.000 0.523 3089 Q N 1.048 120.761 119.800 -0.144 0.000 2.782 3089 Q HA 0.345 4.686 4.340 0.002 0.000 0.308 3089 Q C -1.522 174.505 176.000 0.046 0.000 0.883 3089 Q CA -1.200 54.616 55.803 0.022 0.000 0.755 3089 Q CB 0.946 29.680 28.738 -0.006 0.000 1.454 3089 Q HN 0.386 nan 8.270 nan 0.000 0.452 3090 D N 2.100 122.550 120.400 0.083 0.000 2.426 3090 D HA 0.020 4.661 4.640 0.002 0.000 0.261 3090 D C -1.251 175.059 176.300 0.017 0.000 1.245 3090 D CA -1.151 52.889 54.000 0.067 0.000 0.917 3090 D CB 1.045 41.891 40.800 0.077 0.000 1.123 3090 D HN 0.300 nan 8.370 nan 0.000 0.508 3091 P HA -0.158 nan 4.420 nan 0.000 0.220 3091 P C 1.247 178.533 177.300 -0.024 0.000 1.148 3091 P CA 0.965 64.053 63.100 -0.021 0.000 0.803 3091 P CB 0.435 32.123 31.700 -0.021 0.000 0.782 3092 K N 0.330 120.723 120.400 -0.012 0.000 2.021 3092 K HA -0.011 4.311 4.320 0.002 0.000 0.205 3092 K C 2.230 178.814 176.600 -0.028 0.000 1.047 3092 K CA 1.191 57.467 56.287 -0.018 0.000 0.943 3092 K CB -0.540 31.956 32.500 -0.008 0.000 0.725 3092 K HN -0.085 nan 8.250 nan 0.000 0.439 3093 A N 0.809 123.617 122.820 -0.019 0.000 1.933 3093 A HA -0.057 4.264 4.320 0.002 0.000 0.218 3093 A C 2.301 179.851 177.584 -0.056 0.000 1.175 3093 A CA 1.860 53.877 52.037 -0.033 0.000 0.628 3093 A CB -1.094 17.901 19.000 -0.008 0.000 0.814 3093 A HN 0.577 nan 8.150 nan 0.000 0.444 3094 G N -1.078 107.692 108.800 -0.049 0.000 2.404 3094 G HA2 -0.241 3.721 3.960 0.002 0.000 0.215 3094 G HA3 -0.241 3.721 3.960 0.002 0.000 0.215 3094 G C 1.624 176.467 174.900 -0.096 0.000 1.174 3094 G CA 0.989 46.046 45.100 -0.072 0.000 0.780 3094 G HN 0.596 nan 8.290 nan 0.000 0.537 3095 Q N -0.627 119.124 119.800 -0.081 0.000 2.167 3095 Q HA -0.022 4.320 4.340 0.002 0.000 0.202 3095 Q C 2.407 178.356 176.000 -0.086 0.000 0.970 3095 Q CA 0.796 56.547 55.803 -0.085 0.000 0.855 3095 Q CB -0.143 28.556 28.738 -0.066 0.000 0.911 3095 Q HN 0.395 nan 8.270 nan 0.000 0.438 3096 L N 0.451 121.626 121.223 -0.080 0.000 2.027 3096 L HA -0.139 4.202 4.340 0.002 0.000 0.206 3096 L C 2.094 178.886 176.870 -0.131 0.000 1.074 3096 L CA 1.445 56.237 54.840 -0.080 0.000 0.745 3096 L CB -0.766 41.250 42.059 -0.071 0.000 0.898 3096 L HN 0.333 nan 8.230 nan 0.000 0.433 3097 L N -1.199 119.912 121.223 -0.186 0.000 2.083 3097 L HA -0.162 4.179 4.340 0.002 0.000 0.209 3097 L C 2.667 179.350 176.870 -0.311 0.000 1.083 3097 L CA 2.004 56.643 54.840 -0.335 0.000 0.752 3097 L CB -0.814 41.059 42.059 -0.310 0.000 0.899 3097 L HN 0.411 nan 8.230 nan 0.000 0.433 3098 S N -0.851 114.731 115.700 -0.196 0.000 2.368 3098 S HA -0.191 4.280 4.470 0.002 0.000 0.225 3098 S C 1.847 176.368 174.600 -0.131 0.000 1.030 3098 S CA 1.466 59.558 58.200 -0.181 0.000 0.999 3098 S CB -0.239 62.853 63.200 -0.181 0.000 0.844 3098 S HN 0.613 nan 8.310 nan 0.000 0.459 3099 E N 0.177 120.323 120.200 -0.090 0.000 2.268 3099 E HA -0.012 4.340 4.350 0.002 0.000 0.195 3099 E C 1.837 178.467 176.600 0.050 0.000 0.995 3099 E CA 0.739 57.122 56.400 -0.028 0.000 0.836 3099 E CB -0.065 29.624 29.700 -0.017 0.000 0.763 3099 E HN 0.482 nan 8.360 nan 0.000 0.491 3100 L N -0.559 120.688 121.223 0.040 0.000 2.307 3100 L HA 0.005 4.346 4.340 0.002 0.000 0.211 3100 L C 1.576 178.720 176.870 0.456 0.000 1.099 3100 L CA 0.274 55.232 54.840 0.196 0.000 0.816 3100 L CB 0.150 42.256 42.059 0.078 0.000 0.952 3100 L HN 0.113 nan 8.230 nan 0.000 0.455 3101 F N -0.842 119.104 119.950 -0.006 0.000 2.678 3101 F HA 0.144 4.672 4.527 0.002 0.000 0.291 3101 F C 1.642 177.208 175.800 -0.390 0.000 1.123 3101 F CA -0.382 57.510 58.000 -0.180 0.000 1.395 3101 F CB -0.675 38.237 39.000 -0.147 0.000 1.121 3101 F HN -0.180 nan 8.300 nan 0.000 0.592 3102 T N 2.350 116.823 114.554 -0.135 0.000 2.946 3102 T HA -0.077 4.274 4.350 0.002 0.000 0.312 3102 T C 1.306 175.884 174.700 -0.204 0.000 1.066 3102 T CA 0.249 62.178 62.100 -0.284 0.000 1.138 3102 T CB 0.266 69.011 68.868 -0.206 0.000 1.014 3102 T HN 0.389 nan 8.240 nan 0.000 0.544 3103 N N 3.980 122.507 118.700 -0.288 0.000 2.236 3103 N HA 0.020 4.761 4.740 0.002 0.000 0.196 3103 N C 0.453 175.874 175.510 -0.149 0.000 1.114 3103 N CA -0.352 52.572 53.050 -0.211 0.000 0.859 3103 N CB 0.088 38.438 38.487 -0.228 0.000 0.982 3103 N HN 0.733 nan 8.380 nan 0.000 0.493 3104 R N 0.969 121.391 120.500 -0.129 0.000 2.549 3104 R HA 0.320 4.661 4.340 0.002 0.000 0.267 3104 R C 1.199 177.480 176.300 -0.033 0.000 1.045 3104 R CA -0.736 55.323 56.100 -0.069 0.000 1.115 3104 R CB 1.181 31.442 30.300 -0.064 0.000 1.121 3104 R HN -0.087 nan 8.270 nan 0.000 0.543 3105 K N 0.650 121.052 120.400 0.003 0.000 1.988 3105 K HA -0.239 4.082 4.320 0.002 0.000 0.221 3105 K C 0.222 176.833 176.600 0.018 0.000 1.053 3105 K CA 1.613 57.918 56.287 0.029 0.000 0.959 3105 K CB -0.221 32.303 32.500 0.041 0.000 0.728 3105 K HN 0.702 nan 8.250 nan 0.000 0.447 3106 E N 1.546 121.747 120.200 0.001 0.000 2.151 3106 E HA 0.096 4.447 4.350 0.002 0.000 0.275 3106 E C -1.066 175.505 176.600 -0.049 0.000 0.936 3106 E CA -0.683 55.710 56.400 -0.012 0.000 0.777 3106 E CB 0.956 30.653 29.700 -0.004 0.000 1.108 3106 E HN 0.334 nan 8.360 nan 0.000 0.401 3107 N N 4.128 122.795 118.700 -0.056 0.000 2.395 3107 N HA -0.011 4.730 4.740 0.002 0.000 0.246 3107 N C -0.559 174.876 175.510 -0.125 0.000 1.246 3107 N CA 0.135 53.126 53.050 -0.099 0.000 0.879 3107 N CB 0.532 38.972 38.487 -0.079 0.000 1.098 3107 N HN 0.439 nan 8.380 nan 0.000 0.444 3108 I N 4.100 124.551 120.570 -0.197 0.000 2.330 3108 I HA 0.258 4.429 4.170 0.002 0.000 0.289 3108 I C -1.851 174.151 176.117 -0.193 0.000 1.001 3108 I CA -2.031 59.129 61.300 -0.233 0.000 1.193 3108 I CB 1.712 39.432 38.000 -0.467 0.000 1.345 3108 I HN 0.444 nan 8.210 nan 0.000 0.461 3109 P HA 0.140 nan 4.420 nan 0.000 0.267 3109 P C -0.973 176.262 177.300 -0.108 0.000 1.209 3109 P CA 0.178 63.218 63.100 -0.100 0.000 0.763 3109 P CB 0.834 32.494 31.700 -0.067 0.000 0.816 3110 L N 2.558 123.715 121.223 -0.110 0.000 2.334 3110 L HA 0.482 4.824 4.340 0.002 0.000 0.273 3110 L C 0.751 177.568 176.870 -0.087 0.000 1.013 3110 L CA -1.212 53.565 54.840 -0.104 0.000 0.816 3110 L CB 1.615 43.599 42.059 -0.125 0.000 1.278 3110 L HN 0.226 nan 8.230 nan 0.000 0.431 3111 K N 1.332 121.682 120.400 -0.083 0.000 2.087 3111 K HA 0.636 4.957 4.320 0.002 0.000 0.255 3111 K C -0.954 175.586 176.600 -0.100 0.000 0.988 3111 K CA -0.230 56.008 56.287 -0.083 0.000 0.915 3111 K CB 1.055 33.507 32.500 -0.080 0.000 1.043 3111 K HN 0.365 nan 8.250 nan 0.000 0.457 3112 L N 0.968 122.129 121.223 -0.104 0.000 2.325 3112 L HA 0.617 4.958 4.340 0.002 0.000 0.278 3112 L C -0.291 176.490 176.870 -0.149 0.000 1.023 3112 L CA -0.585 54.174 54.840 -0.134 0.000 0.811 3112 L CB 1.860 43.841 42.059 -0.129 0.000 1.249 3112 L HN 0.594 nan 8.230 nan 0.000 0.431 3113 S N 0.406 115.988 115.700 -0.198 0.000 2.586 3113 S HA 0.172 4.644 4.470 0.002 0.000 0.277 3113 S C -0.025 174.408 174.600 -0.278 0.000 1.131 3113 S CA -0.593 57.487 58.200 -0.200 0.000 0.848 3113 S CB 1.404 64.528 63.200 -0.127 0.000 1.091 3113 S HN 0.761 nan 8.310 nan 0.000 0.453 3114 E N 0.780 120.807 120.200 -0.288 0.000 2.285 3114 E HA -0.031 4.320 4.350 0.002 0.000 0.194 3114 E C -0.252 176.226 176.600 -0.203 0.000 0.997 3114 E CA 0.325 56.520 56.400 -0.341 0.000 0.845 3114 E CB 0.084 29.623 29.700 -0.269 0.000 0.782 3114 E HN 0.512 nan 8.360 nan 0.000 0.491 3115 D N 0.796 121.120 120.400 -0.127 0.000 2.470 3115 D HA -0.015 4.626 4.640 0.002 0.000 0.226 3115 D C 0.053 176.394 176.300 0.069 0.000 1.196 3115 D CA -0.198 53.774 54.000 -0.045 0.000 0.979 3115 D CB -0.057 40.742 40.800 -0.001 0.000 1.059 3115 D HN 0.176 nan 8.370 nan 0.000 0.515 3116 c N 2.311 120.912 118.600 0.001 0.000 3.772 3116 c HA 0.354 4.926 4.570 0.002 0.000 0.293 3116 c C 0.761 174.879 174.090 0.046 0.000 1.659 3116 c CA -0.685 55.711 56.329 0.111 0.000 1.810 3116 c CB -1.219 41.276 42.510 -0.026 0.000 3.059 3116 c HN 0.423 nan 8.230 nan 0.000 0.617 3117 L N 2.442 123.459 121.223 -0.344 0.000 2.384 3117 L HA 0.374 4.715 4.340 0.002 0.000 0.258 3117 L C -0.745 175.514 176.870 -1.018 0.000 1.266 3117 L CA 0.652 55.077 54.840 -0.692 0.000 1.162 3117 L CB -0.892 40.553 42.059 -1.023 0.000 1.375 3117 L HN 0.388 nan 8.230 nan 0.000 0.420 3118 Y N 1.840 122.078 120.300 -0.102 0.000 2.662 3118 Y HA 0.730 5.281 4.550 0.002 0.000 0.335 3118 Y C -0.091 175.947 175.900 0.231 0.000 1.066 3118 Y CA -1.272 56.837 58.100 0.015 0.000 1.116 3118 Y CB 1.822 40.248 38.460 -0.057 0.000 1.308 3118 Y HN 0.156 nan 8.280 nan 0.000 0.502 3119 L N -0.451 120.928 121.223 0.259 0.000 2.415 3119 L HA 0.728 5.069 4.340 0.002 0.000 0.256 3119 L C -1.548 175.359 176.870 0.062 0.000 1.010 3119 L CA -1.251 53.673 54.840 0.139 0.000 0.826 3119 L CB 1.672 43.719 42.059 -0.019 0.000 1.405 3119 L HN 0.403 nan 8.230 nan 0.000 0.410 3120 N N 1.417 120.178 118.700 0.102 0.000 2.321 3120 N HA 0.712 5.453 4.740 0.002 0.000 0.299 3120 N C -1.213 174.303 175.510 0.009 0.000 1.048 3120 N CA -0.197 52.873 53.050 0.035 0.000 0.836 3120 N CB 2.538 41.109 38.487 0.139 0.000 1.269 3120 N HN 0.684 nan 8.380 nan 0.000 0.486 3121 I N 2.125 122.606 120.570 -0.148 0.000 2.433 3121 I HA 0.333 4.505 4.170 0.002 0.000 0.292 3121 I C -1.055 174.961 176.117 -0.170 0.000 1.001 3121 I CA -0.762 60.492 61.300 -0.077 0.000 1.119 3121 I CB 1.060 38.923 38.000 -0.228 0.000 1.289 3121 I HN 0.321 nan 8.210 nan 0.000 0.438 3122 Y N 3.398 123.817 120.300 0.199 0.000 2.326 3122 Y HA 0.459 5.010 4.550 0.002 0.000 0.331 3122 Y C 0.239 176.266 175.900 0.212 0.000 0.962 3122 Y CA -0.733 57.488 58.100 0.202 0.000 1.167 3122 Y CB 2.128 40.688 38.460 0.168 0.000 1.148 3122 Y HN 0.369 nan 8.280 nan 0.000 0.463 3123 T N 4.913 119.680 114.554 0.355 0.000 2.879 3123 T HA 0.373 4.724 4.350 0.002 0.000 0.290 3123 T C -2.470 172.394 174.700 0.273 0.000 0.993 3123 T CA -2.204 60.084 62.100 0.312 0.000 0.975 3123 T CB 1.619 70.706 68.868 0.365 0.000 0.981 3123 T HN 0.393 nan 8.240 nan 0.000 0.439 3124 P HA 0.311 nan 4.420 nan 0.000 0.261 3124 P C 0.338 177.726 177.300 0.148 0.000 1.268 3124 P CA -0.153 63.038 63.100 0.150 0.000 0.833 3124 P CB 0.126 31.875 31.700 0.083 0.000 1.231 3125 A N 0.785 123.707 122.820 0.171 0.000 2.366 3125 A HA 0.153 4.474 4.320 0.002 0.000 0.249 3125 A C -0.170 177.509 177.584 0.158 0.000 1.084 3125 A CA -0.103 52.021 52.037 0.145 0.000 0.794 3125 A CB -0.441 18.646 19.000 0.145 0.000 1.034 3125 A HN 0.026 nan 8.150 nan 0.000 0.491 3126 D N 1.236 121.706 120.400 0.118 0.000 2.365 3126 D HA 0.336 4.977 4.640 0.002 0.000 0.237 3126 D C 0.933 177.306 176.300 0.121 0.000 1.190 3126 D CA -0.178 53.890 54.000 0.113 0.000 0.867 3126 D CB 0.100 40.941 40.800 0.069 0.000 1.050 3126 D HN 0.410 nan 8.370 nan 0.000 0.491 3127 L N 2.742 124.068 121.223 0.171 0.000 2.275 3127 L HA -0.086 4.255 4.340 0.002 0.000 0.215 3127 L C 2.433 179.357 176.870 0.091 0.000 1.119 3127 L CA 1.190 56.111 54.840 0.135 0.000 0.790 3127 L CB -0.720 41.450 42.059 0.183 0.000 0.919 3127 L HN 0.575 nan 8.230 nan 0.000 0.443 3128 T N -3.095 111.518 114.554 0.098 0.000 3.085 3128 T HA -0.077 4.274 4.350 0.002 0.000 0.263 3128 T C 0.877 175.603 174.700 0.042 0.000 1.127 3128 T CA 0.413 62.552 62.100 0.066 0.000 1.103 3128 T CB 0.191 69.098 68.868 0.065 0.000 0.921 3128 T HN 0.217 nan 8.240 nan 0.000 0.510 3129 K N 0.591 121.018 120.400 0.044 0.000 2.312 3129 K HA 0.475 4.797 4.320 0.002 0.000 0.236 3129 K C -0.801 175.815 176.600 0.027 0.000 1.079 3129 K CA -1.096 55.209 56.287 0.031 0.000 0.900 3129 K CB 1.576 34.095 32.500 0.032 0.000 1.297 3129 K HN 0.089 nan 8.250 nan 0.000 0.498 3130 K N 1.455 121.867 120.400 0.020 0.000 2.130 3130 K HA 0.261 4.582 4.320 0.002 0.000 0.268 3130 K C -1.139 175.476 176.600 0.025 0.000 0.983 3130 K CA -0.457 55.840 56.287 0.016 0.000 0.893 3130 K CB 0.858 33.361 32.500 0.005 0.000 1.066 3130 K HN 0.571 nan 8.250 nan 0.000 0.450 3131 N N 2.468 121.187 118.700 0.031 0.000 2.484 3131 N HA 0.299 5.040 4.740 0.002 0.000 0.269 3131 N C -1.325 174.210 175.510 0.042 0.000 1.237 3131 N CA -0.766 52.309 53.050 0.041 0.000 0.838 3131 N CB 1.803 40.327 38.487 0.061 0.000 1.593 3131 N HN 0.499 nan 8.380 nan 0.000 0.485 3132 R N 1.502 122.025 120.500 0.038 0.000 2.718 3132 R HA 0.347 4.688 4.340 0.002 0.000 0.307 3132 R C -0.377 175.948 176.300 0.041 0.000 1.244 3132 R CA -0.324 55.797 56.100 0.035 0.000 1.348 3132 R CB 0.232 30.541 30.300 0.015 0.000 1.304 3132 R HN 0.493 nan 8.270 nan 0.000 0.663 3133 L N 2.974 124.233 121.223 0.061 0.000 2.456 3133 L HA 0.203 4.544 4.340 0.002 0.000 0.272 3133 L C -1.552 175.357 176.870 0.065 0.000 1.189 3133 L CA -1.463 53.415 54.840 0.062 0.000 0.846 3133 L CB 0.025 42.133 42.059 0.082 0.000 1.111 3133 L HN -0.090 nan 8.230 nan 0.000 0.475 3134 P HA 0.008 nan 4.420 nan 0.000 0.267 3134 P C -0.804 176.546 177.300 0.084 0.000 1.200 3134 P CA -0.088 63.043 63.100 0.052 0.000 0.772 3134 P CB 0.830 32.544 31.700 0.024 0.000 0.855 3135 V N 4.278 124.257 119.914 0.108 0.000 2.459 3135 V HA 0.368 4.489 4.120 0.002 0.000 0.295 3135 V C 0.580 176.768 176.094 0.157 0.000 1.029 3135 V CA -0.349 62.038 62.300 0.146 0.000 0.874 3135 V CB 1.202 33.124 31.823 0.166 0.000 0.985 3135 V HN 0.480 nan 8.190 nan 0.000 0.438 3136 M N 4.902 124.618 119.600 0.193 0.000 2.043 3136 M HA 0.434 4.915 4.480 0.002 0.000 0.322 3136 M C -1.046 175.573 176.300 0.531 0.000 0.962 3136 M CA -0.535 54.915 55.300 0.249 0.000 0.927 3136 M CB 1.780 34.392 32.600 0.021 0.000 1.466 3136 M HN 0.374 nan 8.290 nan 0.000 0.412 3137 V N 3.583 123.800 119.914 0.505 0.000 2.385 3137 V HA 0.221 4.342 4.120 0.002 0.000 0.269 3137 V C -0.445 175.921 176.094 0.454 0.000 1.043 3137 V CA -0.478 62.075 62.300 0.421 0.000 0.906 3137 V CB 0.695 32.652 31.823 0.222 0.000 0.995 3137 V HN 0.828 nan 8.190 nan 0.000 0.467 3138 W N 7.138 128.485 121.300 0.079 0.000 2.351 3138 W HA 0.597 5.259 4.660 0.002 0.000 0.311 3138 W C -1.208 175.174 176.519 -0.227 0.000 1.168 3138 W CA -0.880 56.225 57.345 -0.399 0.000 1.200 3138 W CB 1.199 30.424 29.460 -0.393 0.000 1.221 3138 W HN 0.432 nan 8.180 nan 0.000 0.519 3139 I N 7.948 127.813 120.570 -1.175 0.000 2.390 3139 I HA 0.060 4.231 4.170 0.002 0.000 0.283 3139 I C 0.959 176.294 176.117 -1.303 0.000 1.016 3139 I CA -0.822 59.923 61.300 -0.925 0.000 1.151 3139 I CB 0.890 38.506 38.000 -0.640 0.000 1.293 3139 I HN 0.404 nan 8.210 nan 0.000 0.458 3140 H N 4.780 123.398 119.070 -0.753 0.000 2.757 3140 H HA 0.370 4.927 4.556 0.002 0.000 0.370 3140 H C -0.020 175.278 175.328 -0.050 0.000 1.172 3140 H CA -0.349 55.468 56.048 -0.385 0.000 1.426 3140 H CB 1.045 30.910 29.762 0.172 0.000 1.438 3140 H HN 0.621 nan 8.280 nan 0.000 0.612 3141 G N -1.254 107.693 108.800 0.245 0.000 2.568 3141 G HA2 0.471 4.432 3.960 0.002 0.000 0.293 3141 G HA3 0.471 4.432 3.960 0.002 0.000 0.293 3141 G C 0.288 175.451 174.900 0.439 0.000 1.347 3141 G CA -0.737 44.532 45.100 0.282 0.000 1.039 3141 G HN 1.174 nan 8.290 nan 0.000 0.523 3142 G N -2.732 106.257 108.800 0.314 0.000 2.321 3142 G HA2 0.414 4.375 3.960 0.002 0.000 0.219 3142 G HA3 0.414 4.375 3.960 0.002 0.000 0.219 3142 G C 1.015 175.997 174.900 0.137 0.000 1.057 3142 G CA 0.712 45.948 45.100 0.225 0.000 0.849 3142 G HN 2.297 nan 8.290 nan 0.000 0.520 3143 G N -0.020 108.849 108.800 0.114 0.000 2.212 3143 G HA2 -0.211 3.750 3.960 0.002 0.000 0.267 3143 G HA3 -0.211 3.750 3.960 0.002 0.000 0.267 3143 G C 1.172 176.045 174.900 -0.045 0.000 1.002 3143 G CA 0.836 45.953 45.100 0.027 0.000 0.729 3143 G HN 1.780 nan 8.290 nan 0.000 0.517 3144 L N -3.501 117.733 121.223 0.018 0.000 4.696 3144 L HA -0.265 4.076 4.340 0.002 0.000 0.425 3144 L C 1.962 178.863 176.870 0.053 0.000 1.115 3144 L CA 1.570 56.412 54.840 0.003 0.000 0.996 3144 L CB -1.440 40.343 42.059 -0.461 0.000 2.077 3144 L HN 0.427 nan 8.230 nan 0.000 0.792 3145 M N -1.377 118.250 119.600 0.045 0.000 2.638 3145 M HA 0.316 4.797 4.480 0.002 0.000 0.256 3145 M C 0.815 177.165 176.300 0.083 0.000 1.282 3145 M CA 1.198 56.527 55.300 0.048 0.000 1.155 3145 M CB 0.539 33.131 32.600 -0.014 0.000 1.345 3145 M HN 0.216 nan 8.290 nan 0.000 0.523 3146 V N -2.562 117.401 119.914 0.081 0.000 3.156 3146 V HA 1.059 5.180 4.120 0.002 0.000 0.310 3146 V C -0.166 175.979 176.094 0.084 0.000 1.234 3146 V CA -0.213 62.118 62.300 0.051 0.000 1.065 3146 V CB 1.248 33.081 31.823 0.017 0.000 1.088 3146 V HN 0.524 nan 8.190 nan 0.000 0.451 3147 G N -0.837 107.937 108.800 -0.042 0.000 2.381 3147 G HA2 0.631 4.592 3.960 0.002 0.000 0.672 3147 G HA3 0.631 4.592 3.960 0.002 0.000 0.672 3147 G C -0.628 173.897 174.900 -0.625 0.000 1.324 3147 G CA -0.161 44.794 45.100 -0.241 0.000 0.975 3147 G HN 2.784 nan 8.290 nan 0.000 0.593 3148 A N -1.675 120.511 122.820 -1.056 0.000 2.583 3148 A HA 1.004 5.325 4.320 0.002 0.000 0.292 3148 A C 0.638 178.100 177.584 -0.204 0.000 1.045 3148 A CA 0.870 52.565 52.037 -0.571 0.000 0.672 3148 A CB 0.553 19.406 19.000 -0.245 0.000 1.283 3148 A HN 2.554 nan 8.150 nan 0.000 0.419 3149 A N 0.198 123.086 122.820 0.114 0.000 1.935 3149 A HA 0.209 4.530 4.320 0.002 0.000 0.214 3149 A C 1.961 179.729 177.584 0.307 0.000 1.178 3149 A CA 2.152 54.406 52.037 0.362 0.000 0.640 3149 A CB -0.746 18.463 19.000 0.349 0.000 0.825 3149 A HN 1.267 nan 8.150 nan 0.000 0.447 3150 S N 0.121 115.916 115.700 0.159 0.000 2.465 3150 S HA -0.120 4.351 4.470 0.002 0.000 0.241 3150 S C 1.797 176.326 174.600 -0.119 0.000 1.000 3150 S CA 1.581 59.838 58.200 0.094 0.000 0.964 3150 S CB -0.479 62.726 63.200 0.008 0.000 0.763 3150 S HN 0.699 nan 8.310 nan 0.000 0.512 3151 T N 0.707 115.144 114.554 -0.197 0.000 2.867 3151 T HA -0.047 4.305 4.350 0.002 0.000 0.268 3151 T C 0.006 174.286 174.700 -0.700 0.000 1.057 3151 T CA 0.980 62.783 62.100 -0.496 0.000 1.136 3151 T CB -0.229 68.234 68.868 -0.676 0.000 0.874 3151 T HN 0.412 nan 8.240 nan 0.000 0.466 3152 Y N 1.824 121.975 120.300 -0.249 0.000 2.404 3152 Y HA 0.447 4.998 4.550 0.002 0.000 0.344 3152 Y C 0.045 175.717 175.900 -0.381 0.000 0.970 3152 Y CA -2.147 55.616 58.100 -0.561 0.000 1.180 3152 Y CB 0.343 38.157 38.460 -1.077 0.000 1.138 3152 Y HN -0.093 nan 8.280 nan 0.000 0.510 3153 D N 2.395 122.632 120.400 -0.272 0.000 2.316 3153 D HA 0.180 4.822 4.640 0.002 0.000 0.245 3153 D C 0.997 177.024 176.300 -0.455 0.000 1.171 3153 D CA -0.103 53.737 54.000 -0.267 0.000 0.856 3153 D CB 1.560 42.294 40.800 -0.111 0.000 1.090 3153 D HN 0.841 nan 8.370 nan 0.000 0.476 3154 G N 3.591 111.676 108.800 -1.192 0.000 2.985 3154 G HA2 -0.082 3.879 3.960 0.002 0.000 0.209 3154 G HA3 -0.082 3.879 3.960 0.002 0.000 0.209 3154 G C 1.535 176.165 174.900 -0.450 0.000 1.165 3154 G CA -0.207 44.456 45.100 -0.728 0.000 0.776 3154 G HN 0.565 nan 8.290 nan 0.000 0.541 3155 L N 0.499 121.481 121.223 -0.402 0.000 1.997 3155 L HA -0.224 4.117 4.340 0.002 0.000 0.216 3155 L C 3.133 179.970 176.870 -0.055 0.000 1.074 3155 L CA 1.980 56.796 54.840 -0.040 0.000 0.763 3155 L CB -0.289 41.802 42.059 0.053 0.000 0.890 3155 L HN 0.339 nan 8.230 nan 0.000 0.434 3156 A N -0.503 122.287 122.820 -0.050 0.000 1.858 3156 A HA -0.260 4.061 4.320 0.002 0.000 0.216 3156 A C 2.093 179.626 177.584 -0.086 0.000 1.190 3156 A CA 1.843 53.855 52.037 -0.040 0.000 0.617 3156 A CB -0.866 18.131 19.000 -0.005 0.000 0.827 3156 A HN 0.469 nan 8.150 nan 0.000 0.443 3157 L N -0.219 120.943 121.223 -0.103 0.000 2.046 3157 L HA -0.053 4.288 4.340 0.002 0.000 0.208 3157 L C 2.621 179.453 176.870 -0.064 0.000 1.077 3157 L CA 2.156 56.924 54.840 -0.120 0.000 0.747 3157 L CB -0.882 41.070 42.059 -0.178 0.000 0.896 3157 L HN 0.364 nan 8.230 nan 0.000 0.432 3158 A N -0.238 122.562 122.820 -0.034 0.000 1.851 3158 A HA -0.141 4.180 4.320 0.002 0.000 0.216 3158 A C 2.481 180.020 177.584 -0.074 0.000 1.195 3158 A CA 2.263 54.307 52.037 0.012 0.000 0.622 3158 A CB -1.414 17.646 19.000 0.100 0.000 0.831 3158 A HN 0.582 nan 8.150 nan 0.000 0.444 3159 A N -1.339 121.356 122.820 -0.208 0.000 1.883 3159 A HA -0.226 4.095 4.320 0.002 0.000 0.217 3159 A C 2.071 179.289 177.584 -0.609 0.000 1.186 3159 A CA 1.665 53.379 52.037 -0.539 0.000 0.624 3159 A CB -1.062 17.346 19.000 -0.986 0.000 0.822 3159 A HN 0.716 nan 8.150 nan 0.000 0.444 3160 H N -1.238 117.527 119.070 -0.507 0.000 2.457 3160 H HA -0.002 4.555 4.556 0.002 0.000 0.294 3160 H C 0.889 176.169 175.328 -0.080 0.000 1.064 3160 H CA 1.412 57.322 56.048 -0.230 0.000 1.330 3160 H CB 0.378 29.976 29.762 -0.273 0.000 1.395 3160 H HN 0.451 nan 8.280 nan 0.000 0.541 3161 E N -0.166 120.047 120.200 0.021 0.000 2.601 3161 E HA 0.010 4.361 4.350 0.002 0.000 0.219 3161 E C -0.049 176.565 176.600 0.023 0.000 0.964 3161 E CA -0.224 56.191 56.400 0.026 0.000 1.050 3161 E CB 0.273 29.982 29.700 0.015 0.000 1.068 3161 E HN 0.295 nan 8.360 nan 0.000 0.496 3162 N N 1.036 119.743 118.700 0.013 0.000 2.708 3162 N HA -0.150 4.591 4.740 0.002 0.000 0.255 3162 N C -0.526 175.013 175.510 0.048 0.000 1.046 3162 N CA 0.822 53.891 53.050 0.032 0.000 0.715 3162 N CB -0.969 37.543 38.487 0.041 0.000 0.895 3162 N HN 0.051 nan 8.380 nan 0.000 0.545 3163 V N -2.918 117.029 119.914 0.055 0.000 3.102 3163 V HA 0.734 4.855 4.120 0.002 0.000 0.312 3163 V C 0.482 176.647 176.094 0.118 0.000 1.135 3163 V CA -0.944 61.401 62.300 0.075 0.000 1.022 3163 V CB 2.234 34.088 31.823 0.052 0.000 1.056 3163 V HN -0.114 nan 8.190 nan 0.000 0.436 3164 V N 2.410 122.412 119.914 0.146 0.000 2.432 3164 V HA 0.440 4.561 4.120 0.002 0.000 0.275 3164 V C 0.069 176.303 176.094 0.232 0.000 1.043 3164 V CA -0.242 62.177 62.300 0.199 0.000 0.925 3164 V CB 1.302 33.243 31.823 0.197 0.000 0.985 3164 V HN 0.727 nan 8.190 nan 0.000 0.466 3165 V N 5.989 126.083 119.914 0.300 0.000 2.398 3165 V HA 0.476 4.597 4.120 0.002 0.000 0.286 3165 V C -0.204 176.152 176.094 0.435 0.000 1.026 3165 V CA -0.492 62.032 62.300 0.374 0.000 0.868 3165 V CB 1.851 33.884 31.823 0.350 0.000 0.982 3165 V HN 0.599 nan 8.190 nan 0.000 0.443 3166 V N 4.091 124.252 119.914 0.412 0.000 2.443 3166 V HA 0.452 4.573 4.120 0.002 0.000 0.293 3166 V C 0.194 176.514 176.094 0.377 0.000 1.021 3166 V CA -0.529 61.974 62.300 0.340 0.000 0.848 3166 V CB 2.072 34.038 31.823 0.238 0.000 0.998 3166 V HN 0.995 nan 8.190 nan 0.000 0.424 3167 T N 3.938 118.728 114.554 0.393 0.000 2.767 3167 T HA 0.806 5.157 4.350 0.002 0.000 0.284 3167 T C -0.327 174.548 174.700 0.291 0.000 0.973 3167 T CA -0.468 61.879 62.100 0.412 0.000 0.996 3167 T CB 1.339 70.500 68.868 0.490 0.000 0.927 3167 T HN 0.662 nan 8.240 nan 0.000 0.456 3168 I N 0.104 120.816 120.570 0.237 0.000 3.023 3168 I HA 0.681 4.852 4.170 0.002 0.000 0.312 3168 I C -0.761 175.555 176.117 0.331 0.000 1.056 3168 I CA -1.331 60.089 61.300 0.200 0.000 1.033 3168 I CB 2.131 40.146 38.000 0.025 0.000 1.233 3168 I HN 0.558 nan 8.210 nan 0.000 0.462 3169 Q N 1.864 121.895 119.800 0.385 0.000 2.387 3169 Q HA 0.556 4.897 4.340 0.002 0.000 0.273 3169 Q C -1.971 174.297 176.000 0.446 0.000 1.089 3169 Q CA -0.809 55.225 55.803 0.385 0.000 0.824 3169 Q CB 2.885 31.790 28.738 0.278 0.000 1.367 3169 Q HN 0.716 nan 8.270 nan 0.000 0.443 3170 Y N -2.494 117.939 120.300 0.221 0.000 2.513 3170 Y HA 0.522 5.073 4.550 0.002 0.000 0.340 3170 Y C -0.802 175.175 175.900 0.129 0.000 1.055 3170 Y CA -1.422 56.775 58.100 0.163 0.000 1.020 3170 Y CB 0.769 39.281 38.460 0.087 0.000 1.301 3170 Y HN 0.434 nan 8.280 nan 0.000 0.453 3171 R N 2.388 122.956 120.500 0.112 0.000 2.619 3171 R HA 0.279 4.620 4.340 0.002 0.000 0.268 3171 R C -0.763 175.607 176.300 0.116 0.000 0.990 3171 R CA 0.370 56.506 56.100 0.060 0.000 1.092 3171 R CB 0.188 30.550 30.300 0.104 0.000 0.935 3171 R HN 0.720 nan 8.270 nan 0.000 0.415 3172 L N 1.141 122.462 121.223 0.162 0.000 2.271 3172 L HA 0.492 4.833 4.340 0.002 0.000 0.265 3172 L C 1.391 178.546 176.870 0.474 0.000 1.013 3172 L CA -0.492 54.530 54.840 0.304 0.000 0.820 3172 L CB 1.337 43.479 42.059 0.138 0.000 1.352 3172 L HN 0.890 nan 8.230 nan 0.000 0.443 3173 G N 0.451 109.505 108.800 0.423 0.000 2.632 3173 G HA2 -0.348 3.613 3.960 0.002 0.000 0.322 3173 G HA3 -0.348 3.613 3.960 0.002 0.000 0.322 3173 G C 0.891 176.012 174.900 0.369 0.000 1.326 3173 G CA 0.760 46.040 45.100 0.301 0.000 0.986 3173 G HN 0.664 nan 8.290 nan 0.000 0.541 3174 I N -0.607 120.090 120.570 0.211 0.000 2.151 3174 I HA -0.230 3.941 4.170 0.002 0.000 0.243 3174 I C 2.860 179.167 176.117 0.317 0.000 1.080 3174 I CA 2.479 63.855 61.300 0.127 0.000 1.339 3174 I CB -0.387 37.441 38.000 -0.286 0.000 1.039 3174 I HN 0.551 nan 8.210 nan 0.000 0.409 3175 W N 0.805 122.281 121.300 0.292 0.000 2.318 3175 W HA -0.149 4.513 4.660 0.003 0.000 0.313 3175 W C 2.455 179.106 176.519 0.220 0.000 1.221 3175 W CA 1.520 58.967 57.345 0.170 0.000 1.266 3175 W CB -1.089 28.371 29.460 0.000 0.000 1.150 3175 W HN 0.244 nan 8.180 nan 0.000 0.496 3176 G N -2.236 106.796 108.800 0.385 0.000 2.838 3176 G HA2 0.003 3.964 3.960 0.002 0.000 0.210 3176 G HA3 0.003 3.964 3.960 0.002 0.000 0.210 3176 G C 0.680 175.232 174.900 -0.579 0.000 1.153 3176 G CA 0.133 45.200 45.100 -0.055 0.000 0.778 3176 G HN 0.150 nan 8.290 nan 0.000 0.539 3177 F N -1.097 119.079 119.950 0.377 0.000 2.880 3177 F HA 0.405 4.933 4.527 0.001 0.000 0.328 3177 F C 0.201 176.114 175.800 0.188 0.000 1.146 3177 F CA -1.707 56.395 58.000 0.170 0.000 1.135 3177 F CB 0.213 39.231 39.000 0.031 0.000 1.151 3177 F HN -0.007 nan 8.300 nan 0.000 0.523 3178 F N 2.048 122.186 119.950 0.313 0.000 2.578 3178 F HA 0.373 4.901 4.527 0.002 0.000 0.381 3178 F C 0.463 176.343 175.800 0.133 0.000 1.069 3178 F CA 0.356 58.432 58.000 0.126 0.000 1.231 3178 F CB 0.498 39.425 39.000 -0.123 0.000 1.086 3178 F HN -0.089 nan 8.300 nan 0.000 0.564 3179 S N 3.657 118.947 115.700 -0.683 0.000 2.619 3179 S HA 0.285 4.756 4.470 0.002 0.000 0.280 3179 S C 0.284 174.497 174.600 -0.644 0.000 1.150 3179 S CA -0.106 57.786 58.200 -0.513 0.000 0.978 3179 S CB 1.292 64.334 63.200 -0.263 0.000 1.041 3179 S HN 0.825 nan 8.310 nan 0.000 0.485 3180 T N 0.926 115.211 114.554 -0.448 0.000 3.122 3180 T HA 0.374 4.725 4.350 0.002 0.000 0.250 3180 T C 1.447 176.067 174.700 -0.134 0.000 1.067 3180 T CA 0.536 62.469 62.100 -0.278 0.000 0.966 3180 T CB -0.270 68.533 68.868 -0.108 0.000 1.002 3180 T HN 1.788 nan 8.240 nan 0.000 0.542 3181 G N 2.094 110.811 108.800 -0.138 0.000 2.168 3181 G HA2 -0.201 3.761 3.960 0.002 0.000 0.257 3181 G HA3 -0.201 3.761 3.960 0.002 0.000 0.257 3181 G C -0.291 174.580 174.900 -0.049 0.000 0.997 3181 G CA 0.489 45.537 45.100 -0.087 0.000 0.708 3181 G HN 0.984 nan 8.290 nan 0.000 0.520 3182 D N -2.816 117.567 120.400 -0.029 0.000 2.752 3182 D HA 0.434 5.076 4.640 0.002 0.000 0.313 3182 D C 1.254 177.538 176.300 -0.027 0.000 1.225 3182 D CA -0.071 53.919 54.000 -0.016 0.000 0.976 3182 D CB -0.262 40.552 40.800 0.024 0.000 1.443 3182 D HN 0.096 nan 8.370 nan 0.000 0.515 3183 E N -0.171 119.966 120.200 -0.105 0.000 2.267 3183 E HA -0.260 4.091 4.350 0.002 0.000 0.197 3183 E C 0.807 177.327 176.600 -0.133 0.000 0.998 3183 E CA 1.320 57.635 56.400 -0.142 0.000 0.830 3183 E CB -0.618 28.951 29.700 -0.219 0.000 0.751 3183 E HN 0.556 nan 8.360 nan 0.000 0.491 3184 H N 0.211 119.337 119.070 0.093 0.000 2.529 3184 H HA 0.170 4.727 4.556 0.001 0.000 0.277 3184 H C 0.367 175.803 175.328 0.180 0.000 0.999 3184 H CA 1.099 57.217 56.048 0.116 0.000 1.256 3184 H CB 0.467 30.281 29.762 0.087 0.000 1.402 3184 H HN 0.101 nan 8.280 nan 0.000 0.566 3185 S N -0.275 115.596 115.700 0.285 0.000 2.828 3185 S HA 0.176 4.647 4.470 0.002 0.000 0.149 3185 S C 0.816 175.572 174.600 0.260 0.000 0.924 3185 S CA -0.573 57.885 58.200 0.430 0.000 1.044 3185 S CB 0.178 63.554 63.200 0.293 0.000 1.595 3185 S HN 0.177 nan 8.310 nan 0.000 0.454 3186 R N 1.488 122.112 120.500 0.207 0.000 2.103 3186 R HA 0.149 4.490 4.340 0.002 0.000 0.242 3186 R C 1.420 177.506 176.300 -0.357 0.000 1.142 3186 R CA 1.391 57.426 56.100 -0.107 0.000 0.960 3186 R CB -0.236 29.984 30.300 -0.134 0.000 0.858 3186 R HN 0.853 nan 8.270 nan 0.000 0.439 3187 G N -0.730 107.548 108.800 -0.871 0.000 2.422 3187 G HA2 -0.196 3.765 3.960 0.002 0.000 0.607 3187 G HA3 -0.196 3.765 3.960 0.002 0.000 0.607 3187 G C -0.750 173.406 174.900 -1.240 0.000 1.270 3187 G CA -0.412 44.091 45.100 -0.995 0.000 0.992 3187 G HN 0.246 nan 8.290 nan 0.000 0.499 3188 N N -1.097 117.220 118.700 -0.638 0.000 2.725 3188 N HA -0.195 4.546 4.740 0.002 0.000 0.249 3188 N C 1.126 176.362 175.510 -0.456 0.000 1.103 3188 N CA 1.945 54.802 53.050 -0.321 0.000 0.707 3188 N CB -1.506 36.946 38.487 -0.058 0.000 1.043 3188 N HN 0.696 nan 8.380 nan 0.000 0.553 3189 W N 0.290 121.455 121.300 -0.225 0.000 2.358 3189 W HA -0.053 4.608 4.660 0.001 0.000 0.303 3189 W C 2.470 178.849 176.519 -0.234 0.000 1.208 3189 W CA 0.724 57.974 57.345 -0.157 0.000 1.274 3189 W CB -0.610 28.801 29.460 -0.082 0.000 1.138 3189 W HN 0.296 nan 8.180 nan 0.000 0.515 3190 G N -0.181 108.339 108.800 -0.468 0.000 2.422 3190 G HA2 -0.258 3.703 3.960 0.002 0.000 0.218 3190 G HA3 -0.258 3.703 3.960 0.002 0.000 0.218 3190 G C 1.237 176.096 174.900 -0.068 0.000 1.146 3190 G CA 1.283 46.225 45.100 -0.264 0.000 0.769 3190 G HN 0.286 nan 8.290 nan 0.000 0.547 3191 H N 0.356 119.417 119.070 -0.016 0.000 2.357 3191 H HA 0.094 4.651 4.556 0.002 0.000 0.301 3191 H C 2.747 178.072 175.328 -0.005 0.000 1.082 3191 H CA 0.797 56.834 56.048 -0.019 0.000 1.342 3191 H CB -0.378 29.385 29.762 0.003 0.000 1.389 3191 H HN 0.263 nan 8.280 nan 0.000 0.511 3192 L N 0.592 121.905 121.223 0.150 0.000 2.131 3192 L HA -0.170 4.172 4.340 0.002 0.000 0.210 3192 L C 1.980 178.955 176.870 0.175 0.000 1.092 3192 L CA 0.978 55.909 54.840 0.151 0.000 0.759 3192 L CB -0.256 41.918 42.059 0.191 0.000 0.903 3192 L HN 0.125 nan 8.230 nan 0.000 0.435 3193 D N -0.176 120.345 120.400 0.202 0.000 2.144 3193 D HA -0.183 4.458 4.640 0.002 0.000 0.199 3193 D C 2.284 178.701 176.300 0.195 0.000 0.984 3193 D CA 1.053 55.232 54.000 0.297 0.000 0.834 3193 D CB -0.086 40.926 40.800 0.353 0.000 0.955 3193 D HN 0.417 nan 8.370 nan 0.000 0.465 3194 Q N 0.127 119.975 119.800 0.079 0.000 2.079 3194 Q HA -0.073 4.269 4.340 0.002 0.000 0.200 3194 Q C 2.376 178.345 176.000 -0.051 0.000 0.974 3194 Q CA 0.747 56.518 55.803 -0.053 0.000 0.840 3194 Q CB 0.048 28.705 28.738 -0.134 0.000 0.898 3194 Q HN 0.124 nan 8.270 nan 0.000 0.430 3195 V N 0.908 120.832 119.914 0.018 0.000 2.407 3195 V HA -0.272 3.849 4.120 0.002 0.000 0.248 3195 V C 2.193 178.319 176.094 0.054 0.000 1.055 3195 V CA 1.758 64.081 62.300 0.038 0.000 1.049 3195 V CB -0.873 30.987 31.823 0.063 0.000 0.662 3195 V HN 0.407 nan 8.190 nan 0.000 0.455 3196 A N -0.195 122.681 122.820 0.094 0.000 1.969 3196 A HA -0.045 4.277 4.320 0.002 0.000 0.218 3196 A C 2.385 179.990 177.584 0.034 0.000 1.169 3196 A CA 1.895 54.032 52.037 0.167 0.000 0.635 3196 A CB -0.567 18.645 19.000 0.354 0.000 0.810 3196 A HN 0.551 nan 8.150 nan 0.000 0.445 3197 A N -0.276 122.332 122.820 -0.353 0.000 1.897 3197 A HA 0.073 4.394 4.320 0.002 0.000 0.215 3197 A C 2.118 179.637 177.584 -0.108 0.000 1.181 3197 A CA 1.240 52.886 52.037 -0.652 0.000 0.620 3197 A CB -0.548 17.850 19.000 -1.004 0.000 0.821 3197 A HN 0.439 nan 8.150 nan 0.000 0.443 3198 L N -1.050 120.143 121.223 -0.050 0.000 2.083 3198 L HA -0.179 4.162 4.340 0.002 0.000 0.209 3198 L C 2.780 179.706 176.870 0.095 0.000 1.083 3198 L CA 1.708 56.577 54.840 0.048 0.000 0.752 3198 L CB -0.402 41.688 42.059 0.051 0.000 0.899 3198 L HN 0.437 nan 8.230 nan 0.000 0.433 3199 R N -0.586 119.972 120.500 0.097 0.000 2.075 3199 R HA -0.240 4.101 4.340 0.002 0.000 0.232 3199 R C 2.235 178.619 176.300 0.140 0.000 1.126 3199 R CA 1.799 57.963 56.100 0.106 0.000 0.963 3199 R CB -0.436 29.935 30.300 0.117 0.000 0.858 3199 R HN 0.394 nan 8.270 nan 0.000 0.435 3200 W N 0.220 121.535 121.300 0.025 0.000 2.363 3200 W HA -0.193 4.468 4.660 0.002 0.000 0.296 3200 W C 1.606 178.150 176.519 0.042 0.000 1.212 3200 W CA 1.331 58.712 57.345 0.059 0.000 1.260 3200 W CB -0.132 29.386 29.460 0.098 0.000 1.131 3200 W HN -0.122 nan 8.180 nan 0.000 0.530 3201 V N 0.869 120.959 119.914 0.293 0.000 2.343 3201 V HA -0.343 3.778 4.120 0.002 0.000 0.247 3201 V C 2.550 178.632 176.094 -0.020 0.000 1.051 3201 V CA 2.045 64.444 62.300 0.164 0.000 1.036 3201 V CB -1.045 30.904 31.823 0.210 0.000 0.654 3201 V HN 0.183 nan 8.190 nan 0.000 0.451 3202 Q N 0.008 119.810 119.800 0.003 0.000 2.135 3202 Q HA -0.211 4.130 4.340 0.002 0.000 0.204 3202 Q C 1.844 177.784 176.000 -0.099 0.000 0.981 3202 Q CA 1.692 57.484 55.803 -0.018 0.000 0.856 3202 Q CB -0.452 28.289 28.738 0.005 0.000 0.902 3202 Q HN 0.690 nan 8.270 nan 0.000 0.425 3203 D N -0.898 119.384 120.400 -0.196 0.000 2.354 3203 D HA 0.023 4.664 4.640 0.002 0.000 0.209 3203 D C 0.952 177.017 176.300 -0.392 0.000 1.015 3203 D CA 0.294 54.135 54.000 -0.266 0.000 0.867 3203 D CB 0.172 40.808 40.800 -0.273 0.000 0.933 3203 D HN 0.264 nan 8.370 nan 0.000 0.520 3204 N N -0.136 118.230 118.700 -0.556 0.000 2.211 3204 N HA 0.028 4.769 4.740 0.002 0.000 0.216 3204 N C 1.477 176.864 175.510 -0.206 0.000 1.240 3204 N CA -0.203 52.497 53.050 -0.583 0.000 0.895 3204 N CB 1.009 38.667 38.487 -1.382 0.000 1.102 3204 N HN -0.021 nan 8.380 nan 0.000 0.498 3205 I N 2.720 123.219 120.570 -0.118 0.000 2.335 3205 I HA -0.132 4.039 4.170 0.002 0.000 0.251 3205 I C 2.240 178.437 176.117 0.133 0.000 1.129 3205 I CA 0.690 62.060 61.300 0.116 0.000 1.402 3205 I CB -0.396 37.668 38.000 0.107 0.000 1.069 3205 I HN 0.077 nan 8.210 nan 0.000 0.424 3206 A N -0.883 121.954 122.820 0.028 0.000 1.978 3206 A HA -0.211 4.110 4.320 0.002 0.000 0.220 3206 A C 2.399 179.977 177.584 -0.010 0.000 1.170 3206 A CA 2.114 54.158 52.037 0.011 0.000 0.636 3206 A CB -0.941 18.041 19.000 -0.029 0.000 0.810 3206 A HN 0.471 nan 8.150 nan 0.000 0.448 3207 S N -1.271 114.390 115.700 -0.065 0.000 2.507 3207 S HA 0.026 4.497 4.470 0.002 0.000 0.235 3207 S C 0.674 175.055 174.600 -0.365 0.000 0.988 3207 S CA 0.692 58.756 58.200 -0.226 0.000 0.944 3207 S CB -0.358 62.635 63.200 -0.345 0.000 0.762 3207 S HN 0.564 nan 8.310 nan 0.000 0.526 3208 F N 0.846 120.769 119.950 -0.045 0.000 2.647 3208 F HA 0.381 4.909 4.527 0.002 0.000 0.300 3208 F C 1.559 177.391 175.800 0.054 0.000 1.106 3208 F CA -0.198 57.793 58.000 -0.014 0.000 1.313 3208 F CB 0.197 39.185 39.000 -0.019 0.000 1.007 3208 F HN 0.229 nan 8.300 nan 0.000 0.536 3209 G N 0.616 109.504 108.800 0.147 0.000 2.147 3209 G HA2 -0.166 3.795 3.960 0.002 0.000 0.244 3209 G HA3 -0.166 3.795 3.960 0.002 0.000 0.244 3209 G C 0.459 175.438 174.900 0.132 0.000 1.005 3209 G CA -0.100 45.076 45.100 0.127 0.000 0.713 3209 G HN 0.747 nan 8.290 nan 0.000 0.515 3210 G N -0.740 108.146 108.800 0.144 0.000 2.417 3210 G HA2 0.523 4.484 3.960 0.002 0.000 0.334 3210 G HA3 0.523 4.484 3.960 0.002 0.000 0.334 3210 G C -0.431 174.520 174.900 0.085 0.000 1.150 3210 G CA -0.368 44.807 45.100 0.127 0.000 0.923 3210 G HN 0.421 nan 8.290 nan 0.000 0.485 3211 N N 2.008 120.751 118.700 0.071 0.000 2.469 3211 N HA 0.259 5.000 4.740 0.002 0.000 0.239 3211 N C -1.111 174.434 175.510 0.058 0.000 1.053 3211 N CA -2.485 50.590 53.050 0.043 0.000 0.937 3211 N CB 1.899 40.398 38.487 0.019 0.000 1.163 3211 N HN 0.127 nan 8.380 nan 0.000 0.509 3212 P HA -0.047 nan 4.420 nan 0.000 0.223 3212 P C 0.935 178.308 177.300 0.121 0.000 1.144 3212 P CA 0.738 63.888 63.100 0.083 0.000 0.783 3212 P CB 0.129 31.851 31.700 0.037 0.000 0.771 3213 G N -0.897 107.909 108.800 0.010 0.000 2.920 3213 G HA2 -0.010 3.951 3.960 0.002 0.000 0.208 3213 G HA3 -0.010 3.951 3.960 0.002 0.000 0.208 3213 G C 0.502 175.120 174.900 -0.469 0.000 1.159 3213 G CA 0.155 45.157 45.100 -0.162 0.000 0.784 3213 G HN 0.368 nan 8.290 nan 0.000 0.535 3214 S N -0.072 115.572 115.700 -0.092 0.000 2.356 3214 S HA 0.451 4.922 4.470 0.002 0.000 0.171 3214 S C -1.042 173.713 174.600 0.258 0.000 1.399 3214 S CA -0.426 57.788 58.200 0.022 0.000 1.225 3214 S CB 0.541 63.709 63.200 -0.053 0.000 1.271 3214 S HN -0.054 nan 8.310 nan 0.000 0.427 3215 V N 3.749 123.980 119.914 0.529 0.000 2.384 3215 V HA 0.540 4.661 4.120 0.002 0.000 0.287 3215 V C 0.275 176.508 176.094 0.231 0.000 1.020 3215 V CA -0.379 62.089 62.300 0.281 0.000 0.850 3215 V CB 1.815 33.770 31.823 0.219 0.000 0.987 3215 V HN 0.700 nan 8.190 nan 0.000 0.436 3216 T N 6.449 121.109 114.554 0.178 0.000 2.829 3216 T HA 0.646 4.997 4.350 0.002 0.000 0.282 3216 T C -0.168 174.653 174.700 0.202 0.000 0.990 3216 T CA -0.180 62.013 62.100 0.155 0.000 1.028 3216 T CB 1.058 69.961 68.868 0.060 0.000 0.951 3216 T HN 0.633 nan 8.240 nan 0.000 0.460 3217 I N 1.362 122.026 120.570 0.157 0.000 2.404 3217 I HA 0.851 5.022 4.170 0.002 0.000 0.293 3217 I C -1.087 175.206 176.117 0.293 0.000 0.992 3217 I CA -1.144 60.243 61.300 0.145 0.000 1.149 3217 I CB 1.170 39.043 38.000 -0.211 0.000 1.315 3217 I HN 0.487 nan 8.210 nan 0.000 0.446 3218 F N 3.265 123.250 119.950 0.059 0.000 2.601 3218 F HA 1.020 5.548 4.527 0.002 0.000 0.309 3218 F C -0.408 175.375 175.800 -0.028 0.000 1.089 3218 F CA -1.550 56.530 58.000 0.133 0.000 0.940 3218 F CB 1.378 40.581 39.000 0.338 0.000 1.273 3218 F HN 0.815 nan 8.300 nan 0.000 0.450 3219 G N 1.466 110.147 108.800 -0.198 0.000 2.646 3219 G HA2 0.546 4.508 3.960 0.002 0.000 0.291 3219 G HA3 0.546 4.508 3.960 0.002 0.000 0.291 3219 G C -2.371 172.329 174.900 -0.333 0.000 1.445 3219 G CA -0.896 43.689 45.100 -0.857 0.000 0.814 3219 G HN 1.064 nan 8.290 nan 0.000 0.495 3220 E N -0.514 119.471 120.200 -0.359 0.000 2.256 3220 E HA 0.750 5.101 4.350 0.002 0.000 0.267 3220 E C 0.629 177.267 176.600 0.064 0.000 0.892 3220 E CA 0.134 56.538 56.400 0.005 0.000 0.775 3220 E CB 1.941 31.727 29.700 0.142 0.000 1.207 3220 E HN 1.309 nan 8.360 nan 0.000 0.420 3221 S N 2.153 117.962 115.700 0.181 0.000 4.140 3221 S HA -0.391 4.080 4.470 0.002 0.000 0.618 3221 S C 1.554 176.255 174.600 0.168 0.000 1.896 3221 S CA 2.301 60.706 58.200 0.342 0.000 4.240 3221 S CB -1.842 61.670 63.200 0.519 0.000 0.208 3221 S HN 1.531 nan 8.310 nan 0.000 0.487 3222 A N 1.098 124.000 122.820 0.136 0.000 2.015 3222 A HA 0.241 4.562 4.320 0.002 0.000 0.219 3222 A C 2.410 179.957 177.584 -0.062 0.000 1.163 3222 A CA 2.245 54.302 52.037 0.032 0.000 0.646 3222 A CB -1.417 17.616 19.000 0.055 0.000 0.806 3222 A HN 1.520 nan 8.150 nan 0.000 0.448 3223 G N -0.580 108.152 108.800 -0.113 0.000 2.403 3223 G HA2 0.093 4.054 3.960 0.002 0.000 0.216 3223 G HA3 0.093 4.054 3.960 0.002 0.000 0.216 3223 G C 1.458 176.204 174.900 -0.258 0.000 1.154 3223 G CA 1.085 45.996 45.100 -0.315 0.000 0.784 3223 G HN 0.644 nan 8.290 nan 0.000 0.538 3224 G N 0.193 108.916 108.800 -0.129 0.000 2.421 3224 G HA2 -0.112 3.849 3.960 0.002 0.000 0.217 3224 G HA3 -0.112 3.849 3.960 0.002 0.000 0.217 3224 G C 1.547 176.416 174.900 -0.052 0.000 1.143 3224 G CA 1.036 46.104 45.100 -0.053 0.000 0.784 3224 G HN 0.414 nan 8.290 nan 0.000 0.541 3225 E N 1.079 121.247 120.200 -0.053 0.000 2.106 3225 E HA -0.080 4.271 4.350 0.002 0.000 0.192 3225 E C 2.521 179.052 176.600 -0.114 0.000 0.984 3225 E CA 1.056 57.413 56.400 -0.071 0.000 0.806 3225 E CB -0.195 29.469 29.700 -0.061 0.000 0.750 3225 E HN 0.334 nan 8.360 nan 0.000 0.458 3226 S N 0.214 115.836 115.700 -0.129 0.000 2.368 3226 S HA -0.109 4.362 4.470 0.002 0.000 0.224 3226 S C 2.154 176.606 174.600 -0.246 0.000 1.029 3226 S CA 1.083 59.185 58.200 -0.162 0.000 0.988 3226 S CB -0.229 62.839 63.200 -0.221 0.000 0.838 3226 S HN 0.126 nan 8.310 nan 0.000 0.462 3227 V N 1.360 121.128 119.914 -0.243 0.000 2.332 3227 V HA -0.182 3.939 4.120 0.002 0.000 0.248 3227 V C 2.594 178.516 176.094 -0.286 0.000 1.055 3227 V CA 2.013 64.138 62.300 -0.291 0.000 1.038 3227 V CB -0.820 30.887 31.823 -0.193 0.000 0.651 3227 V HN 0.533 nan 8.190 nan 0.000 0.450 3228 S N -0.645 114.957 115.700 -0.163 0.000 2.356 3228 S HA -0.176 4.295 4.470 0.002 0.000 0.223 3228 S C 1.986 176.469 174.600 -0.196 0.000 1.032 3228 S CA 1.869 59.994 58.200 -0.124 0.000 1.005 3228 S CB -0.187 62.983 63.200 -0.050 0.000 0.867 3228 S HN 0.332 nan 8.310 nan 0.000 0.449 3229 V N 2.124 121.901 119.914 -0.228 0.000 2.295 3229 V HA -0.157 3.964 4.120 0.002 0.000 0.246 3229 V C 2.381 178.347 176.094 -0.213 0.000 1.049 3229 V CA 1.912 64.054 62.300 -0.264 0.000 1.024 3229 V CB -0.687 30.863 31.823 -0.455 0.000 0.648 3229 V HN 0.480 nan 8.190 nan 0.000 0.447 3230 L N -0.507 120.575 121.223 -0.236 0.000 2.079 3230 L HA -0.171 4.170 4.340 0.002 0.000 0.210 3230 L C 2.447 179.355 176.870 0.064 0.000 1.081 3230 L CA 1.083 55.838 54.840 -0.143 0.000 0.752 3230 L CB -0.671 41.199 42.059 -0.315 0.000 0.896 3230 L HN 0.205 nan 8.230 nan 0.000 0.433 3231 V N 0.075 119.960 119.914 -0.048 0.000 2.490 3231 V HA -0.262 3.859 4.120 0.002 0.000 0.250 3231 V C 2.183 178.375 176.094 0.163 0.000 1.061 3231 V CA 1.577 63.959 62.300 0.137 0.000 1.064 3231 V CB -0.270 31.371 31.823 -0.302 0.000 0.670 3231 V HN 0.390 nan 8.190 nan 0.000 0.461 3232 L N -0.901 120.320 121.223 -0.002 0.000 2.375 3232 L HA 0.133 4.474 4.340 0.002 0.000 0.215 3232 L C 1.331 178.256 176.870 0.092 0.000 1.108 3232 L CA 0.273 55.129 54.840 0.027 0.000 0.830 3232 L CB -0.049 41.949 42.059 -0.102 0.000 0.959 3232 L HN 0.219 nan 8.230 nan 0.000 0.457 3233 S N 1.400 117.134 115.700 0.057 0.000 2.474 3233 S HA 0.196 4.667 4.470 0.002 0.000 0.276 3233 S C -1.234 173.399 174.600 0.054 0.000 1.227 3233 S CA -1.464 56.758 58.200 0.035 0.000 1.050 3233 S CB 0.817 64.008 63.200 -0.015 0.000 0.939 3233 S HN 0.003 nan 8.310 nan 0.000 0.490 3234 P HA -0.062 nan 4.420 nan 0.000 0.228 3234 P C 1.352 178.630 177.300 -0.036 0.000 1.151 3234 P CA 0.582 63.678 63.100 -0.006 0.000 0.770 3234 P CB 0.149 31.850 31.700 0.003 0.000 0.786 3235 L N -0.577 120.638 121.223 -0.012 0.000 2.156 3235 L HA -0.020 4.321 4.340 0.002 0.000 0.208 3235 L C 2.328 179.190 176.870 -0.013 0.000 1.095 3235 L CA 1.255 56.089 54.840 -0.009 0.000 0.770 3235 L CB -0.544 41.520 42.059 0.010 0.000 0.914 3235 L HN -0.034 nan 8.230 nan 0.000 0.439 3236 A N -0.955 121.870 122.820 0.009 0.000 2.275 3236 A HA -0.059 4.262 4.320 0.002 0.000 0.212 3236 A C 1.864 179.358 177.584 -0.150 0.000 1.201 3236 A CA 0.321 52.393 52.037 0.059 0.000 0.843 3236 A CB -0.041 19.120 19.000 0.269 0.000 0.873 3236 A HN 0.181 nan 8.150 nan 0.000 0.492 3237 K N 1.893 122.103 120.400 -0.317 0.000 2.007 3237 K HA -0.235 4.086 4.320 0.002 0.000 0.231 3237 K C 0.595 176.716 176.600 -0.798 0.000 1.044 3237 K CA 2.481 58.340 56.287 -0.712 0.000 0.996 3237 K CB -0.426 31.836 32.500 -0.396 0.000 0.738 3237 K HN 0.484 nan 8.250 nan 0.000 0.447 3238 N N 0.504 118.965 118.700 -0.398 0.000 2.389 3238 N HA 0.068 4.810 4.740 0.002 0.000 0.237 3238 N C 0.247 175.622 175.510 -0.224 0.000 1.148 3238 N CA 0.256 53.141 53.050 -0.276 0.000 0.854 3238 N CB 0.352 38.762 38.487 -0.129 0.000 1.115 3238 N HN 0.293 nan 8.380 nan 0.000 0.492 3239 L N -0.522 120.546 121.223 -0.258 0.000 2.664 3239 L HA 0.289 4.630 4.340 0.002 0.000 0.233 3239 L C -0.256 176.603 176.870 -0.018 0.000 1.113 3239 L CA 0.149 54.952 54.840 -0.063 0.000 0.896 3239 L CB 0.003 42.114 42.059 0.085 0.000 1.163 3239 L HN 0.021 nan 8.230 nan 0.000 0.497 3240 F N -4.203 115.536 119.950 -0.351 0.000 2.686 3240 F HA 0.497 5.025 4.527 0.002 0.000 0.311 3240 F C 0.410 175.848 175.800 -0.604 0.000 1.128 3240 F CA -0.975 56.779 58.000 -0.410 0.000 0.946 3240 F CB 0.813 39.736 39.000 -0.128 0.000 1.336 3240 F HN -0.141 nan 8.300 nan 0.000 0.457 3241 H N -0.472 118.705 119.070 0.177 0.000 3.255 3241 H HA 0.404 4.961 4.556 0.002 0.000 0.256 3241 H C -0.249 175.109 175.328 0.050 0.000 1.049 3241 H CA -0.094 55.980 56.048 0.045 0.000 1.202 3241 H CB 0.691 30.454 29.762 0.001 0.000 1.497 3241 H HN 0.349 nan 8.280 nan 0.000 0.503 3242 R N 0.766 121.388 120.500 0.204 0.000 2.774 3242 R HA 0.786 5.128 4.340 0.002 0.000 0.272 3242 R C -0.934 175.517 176.300 0.251 0.000 1.000 3242 R CA -0.881 55.276 56.100 0.096 0.000 0.906 3242 R CB 2.139 32.341 30.300 -0.164 0.000 1.227 3242 R HN 0.113 nan 8.270 nan 0.000 0.468 3243 A N 1.745 124.754 122.820 0.314 0.000 2.486 3243 A HA 0.791 5.112 4.320 0.002 0.000 0.300 3243 A C -1.056 176.739 177.584 0.352 0.000 1.048 3243 A CA -0.714 51.427 52.037 0.174 0.000 0.696 3243 A CB 1.372 20.240 19.000 -0.220 0.000 1.278 3243 A HN 0.593 nan 8.150 nan 0.000 0.405 3244 I N 1.498 122.218 120.570 0.250 0.000 2.468 3244 I HA 0.316 4.487 4.170 0.002 0.000 0.285 3244 I C -0.252 176.013 176.117 0.247 0.000 1.039 3244 I CA -0.276 61.142 61.300 0.195 0.000 1.074 3244 I CB 2.363 40.401 38.000 0.062 0.000 1.228 3244 I HN 0.492 nan 8.210 nan 0.000 0.436 3245 S N 5.294 121.120 115.700 0.210 0.000 2.448 3245 S HA 0.339 4.811 4.470 0.002 0.000 0.320 3245 S C -0.443 174.230 174.600 0.122 0.000 1.071 3245 S CA -0.614 57.671 58.200 0.141 0.000 1.113 3245 S CB 0.682 63.947 63.200 0.107 0.000 0.972 3245 S HN 0.473 nan 8.310 nan 0.000 0.465 3246 E N 1.868 122.188 120.200 0.200 0.000 2.081 3246 E HA 0.328 4.679 4.350 0.002 0.000 0.276 3246 E C -0.375 176.304 176.600 0.131 0.000 0.950 3246 E CA -0.524 56.022 56.400 0.244 0.000 0.776 3246 E CB 0.938 30.871 29.700 0.389 0.000 1.094 3246 E HN 0.617 nan 8.360 nan 0.000 0.402 3247 S N 2.104 117.853 115.700 0.082 0.000 3.572 3247 S HA -0.126 4.345 4.470 0.002 0.000 0.394 3247 S C 0.072 174.911 174.600 0.399 0.000 0.923 3247 S CA 0.489 58.777 58.200 0.146 0.000 1.291 3247 S CB -1.189 61.975 63.200 -0.060 0.000 0.914 3247 S HN 0.982 nan 8.310 nan 0.000 0.545 3248 G N -0.964 108.016 108.800 0.300 0.000 2.158 3248 G HA2 0.488 4.449 3.960 0.002 0.000 0.238 3248 G HA3 0.488 4.449 3.960 0.002 0.000 0.238 3248 G C -0.793 174.137 174.900 0.050 0.000 1.723 3248 G CA 0.040 45.266 45.100 0.210 0.000 0.911 3248 G HN 1.578 nan 8.290 nan 0.000 0.741 3249 V N -0.479 119.420 119.914 -0.025 0.000 3.156 3249 V HA 0.943 5.065 4.120 0.002 0.000 0.310 3249 V C 1.370 177.407 176.094 -0.095 0.000 1.234 3249 V CA -0.008 62.260 62.300 -0.054 0.000 1.065 3249 V CB 1.189 32.968 31.823 -0.073 0.000 1.088 3249 V HN 2.175 nan 8.190 nan 0.000 0.451 3250 A N -0.309 122.451 122.820 -0.101 0.000 2.178 3250 A HA 0.156 4.477 4.320 0.002 0.000 0.218 3250 A C 1.556 179.059 177.584 -0.136 0.000 1.157 3250 A CA 1.482 53.444 52.037 -0.125 0.000 0.689 3250 A CB -0.737 18.183 19.000 -0.132 0.000 0.787 3250 A HN 0.818 nan 8.150 nan 0.000 0.465 3251 L N -0.160 120.981 121.223 -0.136 0.000 2.611 3251 L HA 0.053 4.394 4.340 0.002 0.000 0.229 3251 L C 0.186 176.934 176.870 -0.203 0.000 1.137 3251 L CA -0.005 54.742 54.840 -0.154 0.000 0.901 3251 L CB -0.177 41.806 42.059 -0.128 0.000 1.098 3251 L HN 0.090 nan 8.230 nan 0.000 0.456 3252 T N -0.058 114.365 114.554 -0.219 0.000 3.185 3252 T HA 0.053 4.404 4.350 0.002 0.000 0.287 3252 T C 1.452 175.986 174.700 -0.277 0.000 1.051 3252 T CA 0.035 61.954 62.100 -0.302 0.000 1.051 3252 T CB 0.802 69.476 68.868 -0.323 0.000 1.034 3252 T HN 0.174 nan 8.240 nan 0.000 0.685 3253 S N 2.656 118.181 115.700 -0.292 0.000 2.407 3253 S HA -0.191 4.280 4.470 0.002 0.000 0.244 3253 S C 2.329 176.785 174.600 -0.239 0.000 1.077 3253 S CA 1.678 59.714 58.200 -0.274 0.000 1.159 3253 S CB -0.582 62.421 63.200 -0.328 0.000 1.045 3253 S HN 0.625 nan 8.310 nan 0.000 0.438 3254 V N 1.425 121.190 119.914 -0.248 0.000 2.527 3254 V HA -0.181 3.940 4.120 0.002 0.000 0.255 3254 V C 1.635 177.627 176.094 -0.169 0.000 1.081 3254 V CA 1.856 64.039 62.300 -0.195 0.000 1.092 3254 V CB -0.420 31.297 31.823 -0.176 0.000 0.673 3254 V HN 0.489 nan 8.190 nan 0.000 0.470 3255 L N -0.944 120.171 121.223 -0.180 0.000 2.529 3255 L HA 0.183 4.524 4.340 0.002 0.000 0.223 3255 L C 0.406 177.178 176.870 -0.163 0.000 1.113 3255 L CA -0.006 54.728 54.840 -0.176 0.000 0.861 3255 L CB 0.391 42.354 42.059 -0.161 0.000 1.012 3255 L HN 0.069 nan 8.230 nan 0.000 0.461 3256 V N 1.562 121.386 119.914 -0.151 0.000 2.326 3256 V HA 0.224 4.346 4.120 0.002 0.000 0.281 3256 V C -0.083 175.941 176.094 -0.117 0.000 1.015 3256 V CA -0.924 61.300 62.300 -0.126 0.000 0.823 3256 V CB 1.233 32.980 31.823 -0.126 0.000 1.009 3256 V HN 0.051 nan 8.190 nan 0.000 0.436 3257 K N 4.630 124.972 120.400 -0.097 0.000 2.378 3257 K HA 0.251 4.573 4.320 0.002 0.000 0.288 3257 K C -0.169 176.386 176.600 -0.075 0.000 1.057 3257 K CA -0.407 55.831 56.287 -0.082 0.000 0.971 3257 K CB 0.789 33.249 32.500 -0.066 0.000 0.975 3257 K HN 0.599 nan 8.250 nan 0.000 0.475 3258 K N 0.993 121.347 120.400 -0.076 0.000 2.274 3258 K HA 0.730 5.051 4.320 0.002 0.000 0.262 3258 K C 0.478 177.048 176.600 -0.049 0.000 0.961 3258 K CA -0.718 55.528 56.287 -0.067 0.000 0.833 3258 K CB 1.534 33.986 32.500 -0.080 0.000 1.102 3258 K HN 0.669 nan 8.250 nan 0.000 0.436 3259 G N 1.253 110.028 108.800 -0.041 0.000 2.447 3259 G HA2 -0.124 3.837 3.960 0.002 0.000 0.220 3259 G HA3 -0.124 3.837 3.960 0.002 0.000 0.220 3259 G C -1.591 173.291 174.900 -0.030 0.000 1.261 3259 G CA -0.592 44.491 45.100 -0.029 0.000 1.000 3259 G HN 0.760 nan 8.290 nan 0.000 0.515 3260 D N 0.385 120.772 120.400 -0.022 0.000 2.358 3260 D HA 0.379 5.020 4.640 0.002 0.000 0.258 3260 D C 1.742 178.024 176.300 -0.029 0.000 1.223 3260 D CA 0.682 54.668 54.000 -0.024 0.000 0.886 3260 D CB 1.289 42.080 40.800 -0.014 0.000 1.120 3260 D HN 1.237 nan 8.370 nan 0.000 0.482 3261 V N 2.012 121.898 119.914 -0.046 0.000 3.608 3261 V HA 0.126 4.247 4.120 0.002 0.000 0.269 3261 V C 1.986 178.040 176.094 -0.067 0.000 1.245 3261 V CA 0.235 62.500 62.300 -0.058 0.000 1.138 3261 V CB -0.174 31.597 31.823 -0.085 0.000 0.841 3261 V HN 0.263 nan 8.190 nan 0.000 0.451 3262 K N 2.091 122.458 120.400 -0.055 0.000 2.074 3262 K HA -0.041 4.280 4.320 0.002 0.000 0.209 3262 K C -0.194 176.392 176.600 -0.023 0.000 1.048 3262 K CA 2.260 58.519 56.287 -0.048 0.000 0.926 3262 K CB -1.600 30.884 32.500 -0.026 0.000 0.713 3262 K HN 0.450 nan 8.250 nan 0.000 0.444 3263 P HA -0.164 nan 4.420 nan 0.000 0.215 3263 P C 1.372 178.685 177.300 0.021 0.000 1.157 3263 P CA 1.020 64.125 63.100 0.008 0.000 0.868 3263 P CB 0.019 31.724 31.700 0.009 0.000 0.788 3264 L N -1.010 120.224 121.223 0.020 0.000 2.083 3264 L HA -0.202 4.140 4.340 0.002 0.000 0.209 3264 L C 2.169 179.089 176.870 0.082 0.000 1.083 3264 L CA 1.795 56.667 54.840 0.052 0.000 0.752 3264 L CB -0.823 41.266 42.059 0.049 0.000 0.899 3264 L HN -0.033 nan 8.230 nan 0.000 0.433 3265 A N -0.156 122.681 122.820 0.028 0.000 1.902 3265 A HA -0.239 4.083 4.320 0.002 0.000 0.217 3265 A C 2.002 179.693 177.584 0.179 0.000 1.181 3265 A CA 1.755 53.836 52.037 0.073 0.000 0.623 3265 A CB -0.434 18.462 19.000 -0.174 0.000 0.818 3265 A HN 0.571 nan 8.150 nan 0.000 0.443 3266 E N -0.763 119.489 120.200 0.087 0.000 2.072 3266 E HA -0.229 4.122 4.350 0.002 0.000 0.191 3266 E C 2.240 178.879 176.600 0.065 0.000 0.985 3266 E CA 1.104 57.548 56.400 0.072 0.000 0.801 3266 E CB -0.234 29.489 29.700 0.039 0.000 0.750 3266 E HN 0.762 nan 8.360 nan 0.000 0.452 3267 Q N 0.707 120.543 119.800 0.060 0.000 2.135 3267 Q HA -0.186 4.156 4.340 0.002 0.000 0.204 3267 Q C 2.198 178.228 176.000 0.051 0.000 0.981 3267 Q CA 1.175 57.004 55.803 0.043 0.000 0.856 3267 Q CB 0.001 28.762 28.738 0.039 0.000 0.902 3267 Q HN 0.325 nan 8.270 nan 0.000 0.425 3268 I N 0.030 120.662 120.570 0.104 0.000 2.286 3268 I HA -0.231 3.940 4.170 0.002 0.000 0.245 3268 I C 2.404 178.536 176.117 0.024 0.000 1.104 3268 I CA 0.817 62.175 61.300 0.096 0.000 1.397 3268 I CB -0.387 37.737 38.000 0.207 0.000 1.072 3268 I HN 0.211 nan 8.210 nan 0.000 0.417 3269 A N 1.291 124.141 122.820 0.049 0.000 1.883 3269 A HA -0.200 4.121 4.320 0.002 0.000 0.217 3269 A C 2.293 179.869 177.584 -0.013 0.000 1.186 3269 A CA 1.618 53.650 52.037 -0.008 0.000 0.624 3269 A CB -0.901 18.122 19.000 0.039 0.000 0.822 3269 A HN 0.373 nan 8.150 nan 0.000 0.444 3270 I N -0.343 120.230 120.570 0.006 0.000 2.208 3270 I HA -0.240 3.931 4.170 0.002 0.000 0.245 3270 I C 2.452 178.561 176.117 -0.014 0.000 1.097 3270 I CA 1.831 63.130 61.300 -0.003 0.000 1.363 3270 I CB -0.728 37.274 38.000 0.003 0.000 1.051 3270 I HN 0.261 nan 8.210 nan 0.000 0.413 3271 T N 0.608 115.152 114.554 -0.016 0.000 2.915 3271 T HA -0.061 4.290 4.350 0.002 0.000 0.269 3271 T C 1.751 176.431 174.700 -0.033 0.000 1.071 3271 T CA 1.252 63.337 62.100 -0.026 0.000 1.132 3271 T CB -0.166 68.682 68.868 -0.032 0.000 0.878 3271 T HN 0.482 nan 8.240 nan 0.000 0.479 3272 A N 0.443 123.237 122.820 -0.043 0.000 2.251 3272 A HA 0.543 4.864 4.320 0.002 0.000 0.209 3272 A C 1.649 179.206 177.584 -0.045 0.000 1.187 3272 A CA 0.518 52.521 52.037 -0.057 0.000 0.823 3272 A CB -0.524 18.418 19.000 -0.097 0.000 0.846 3272 A HN 0.707 nan 8.150 nan 0.000 0.486 3273 G N -1.384 107.396 108.800 -0.034 0.000 2.291 3273 G HA2 -0.187 3.774 3.960 0.002 0.000 0.271 3273 G HA3 -0.187 3.774 3.960 0.002 0.000 0.271 3273 G C -0.131 174.753 174.900 -0.026 0.000 1.099 3273 G CA -0.006 45.079 45.100 -0.025 0.000 0.919 3273 G HN 0.630 nan 8.290 nan 0.000 0.496 3274 c N -0.137 118.447 118.600 -0.026 0.000 2.707 3274 c HA 0.702 5.274 4.570 0.002 0.000 0.313 3274 c C 0.818 174.905 174.090 -0.006 0.000 1.209 3274 c CA -1.084 55.232 56.329 -0.022 0.000 1.635 3274 c CB 1.782 44.268 42.510 -0.040 0.000 2.206 3274 c HN 0.601 nan 8.230 nan 0.000 0.485 3275 K N 0.594 120.995 120.400 0.002 0.000 2.138 3275 K HA 0.365 4.686 4.320 0.002 0.000 0.251 3275 K C 0.666 177.274 176.600 0.014 0.000 1.015 3275 K CA 0.192 56.484 56.287 0.008 0.000 0.917 3275 K CB 0.489 32.996 32.500 0.011 0.000 1.021 3275 K HN 0.864 nan 8.250 nan 0.000 0.485 3276 T N -2.825 111.737 114.554 0.014 0.000 3.252 3276 T HA 0.060 4.411 4.350 0.002 0.000 0.286 3276 T C 1.065 175.772 174.700 0.012 0.000 1.013 3276 T CA -0.435 61.677 62.100 0.020 0.000 0.914 3276 T CB 0.069 68.951 68.868 0.023 0.000 1.131 3276 T HN 0.450 nan 8.240 nan 0.000 0.529 3277 T N 2.798 117.356 114.554 0.007 0.000 2.624 3277 T HA -0.070 4.281 4.350 0.002 0.000 0.268 3277 T C 1.209 175.905 174.700 -0.006 0.000 1.041 3277 T CA 2.048 64.148 62.100 0.000 0.000 1.159 3277 T CB -0.481 68.385 68.868 -0.003 0.000 0.863 3277 T HN 0.848 nan 8.240 nan 0.000 0.434 3278 T N -2.457 112.088 114.554 -0.015 0.000 2.816 3278 T HA 0.519 4.870 4.350 0.002 0.000 0.299 3278 T C 0.941 175.618 174.700 -0.038 0.000 1.230 3278 T CA -0.398 61.683 62.100 -0.032 0.000 1.007 3278 T CB 1.770 70.597 68.868 -0.069 0.000 1.289 3278 T HN -0.160 nan 8.240 nan 0.000 0.508 3279 S N 0.388 116.061 115.700 -0.046 0.000 2.359 3279 S HA -0.054 4.417 4.470 0.002 0.000 0.224 3279 S C 2.493 177.044 174.600 -0.082 0.000 1.035 3279 S CA 1.556 59.749 58.200 -0.012 0.000 1.018 3279 S CB -1.017 62.240 63.200 0.094 0.000 0.876 3279 S HN 0.950 nan 8.310 nan 0.000 0.448 3280 A N 0.995 123.593 122.820 -0.371 0.000 1.908 3280 A HA -0.094 4.227 4.320 0.002 0.000 0.218 3280 A C 2.337 179.880 177.584 -0.069 0.000 1.181 3280 A CA 1.705 53.536 52.037 -0.345 0.000 0.627 3280 A CB -0.966 17.701 19.000 -0.556 0.000 0.818 3280 A HN 0.354 nan 8.150 nan 0.000 0.445 3281 V N -0.070 119.810 119.914 -0.057 0.000 2.295 3281 V HA -0.335 3.786 4.120 0.002 0.000 0.246 3281 V C 2.664 178.795 176.094 0.062 0.000 1.049 3281 V CA 2.294 64.608 62.300 0.024 0.000 1.024 3281 V CB -0.694 31.131 31.823 0.002 0.000 0.648 3281 V HN 0.589 nan 8.190 nan 0.000 0.447 3282 M N -0.572 119.056 119.600 0.046 0.000 2.065 3282 M HA -0.174 4.307 4.480 0.002 0.000 0.259 3282 M C 2.217 178.537 176.300 0.034 0.000 1.069 3282 M CA 1.821 57.154 55.300 0.056 0.000 1.110 3282 M CB -0.635 32.041 32.600 0.127 0.000 1.328 3282 M HN 0.265 nan 8.290 nan 0.000 0.405 3283 V N -0.471 119.500 119.914 0.095 0.000 2.287 3283 V HA -0.302 3.819 4.120 0.002 0.000 0.248 3283 V C 2.292 178.443 176.094 0.095 0.000 1.053 3283 V CA 2.478 64.829 62.300 0.085 0.000 1.027 3283 V CB -1.263 30.668 31.823 0.179 0.000 0.646 3283 V HN 0.504 nan 8.190 nan 0.000 0.447 3284 H N -0.674 118.415 119.070 0.032 0.000 2.387 3284 H HA -0.212 4.345 4.556 0.002 0.000 0.299 3284 H C 2.319 177.655 175.328 0.012 0.000 1.090 3284 H CA 2.215 58.279 56.048 0.027 0.000 1.332 3284 H CB -0.580 29.186 29.762 0.006 0.000 1.386 3284 H HN 0.454 nan 8.280 nan 0.000 0.516 3285 c N -0.185 118.360 118.600 -0.091 0.000 2.453 3285 c HA -0.042 4.529 4.570 0.002 0.000 0.277 3285 c C 2.755 176.756 174.090 -0.148 0.000 1.262 3285 c CA 0.929 57.173 56.329 -0.141 0.000 1.718 3285 c CB -1.373 41.109 42.510 -0.046 0.000 2.031 3285 c HN 0.668 nan 8.230 nan 0.000 0.480 3286 L N 0.303 121.449 121.223 -0.129 0.000 2.275 3286 L HA -0.065 4.276 4.340 0.002 0.000 0.215 3286 L C 2.882 179.757 176.870 0.008 0.000 1.119 3286 L CA 1.164 55.933 54.840 -0.118 0.000 0.790 3286 L CB -0.635 41.235 42.059 -0.316 0.000 0.919 3286 L HN 0.353 nan 8.230 nan 0.000 0.443 3287 R N -0.457 120.054 120.500 0.018 0.000 2.189 3287 R HA -0.080 4.261 4.340 0.002 0.000 0.218 3287 R C 1.847 178.081 176.300 -0.109 0.000 1.074 3287 R CA 0.594 56.682 56.100 -0.020 0.000 0.991 3287 R CB 0.037 30.335 30.300 -0.003 0.000 0.883 3287 R HN 0.390 nan 8.270 nan 0.000 0.457 3288 Q N 0.378 120.078 119.800 -0.166 0.000 2.424 3288 Q HA 0.077 4.418 4.340 0.002 0.000 0.204 3288 Q C 0.077 176.022 176.000 -0.092 0.000 0.933 3288 Q CA 0.591 56.303 55.803 -0.152 0.000 0.929 3288 Q CB 0.383 28.991 28.738 -0.216 0.000 1.037 3288 Q HN 0.035 nan 8.270 nan 0.000 0.511 3289 K N 2.022 122.374 120.400 -0.080 0.000 2.237 3289 K HA 0.154 4.475 4.320 0.002 0.000 0.270 3289 K C 0.524 177.112 176.600 -0.021 0.000 1.015 3289 K CA -0.024 56.232 56.287 -0.053 0.000 0.949 3289 K CB 0.686 33.147 32.500 -0.065 0.000 0.976 3289 K HN 0.133 nan 8.250 nan 0.000 0.472 3290 T N -2.250 112.305 114.554 0.001 0.000 2.868 3290 T HA 0.038 4.390 4.350 0.002 0.000 0.292 3290 T C 1.337 176.094 174.700 0.095 0.000 1.028 3290 T CA -0.530 61.588 62.100 0.031 0.000 1.059 3290 T CB 1.102 69.983 68.868 0.022 0.000 0.991 3290 T HN 0.647 nan 8.240 nan 0.000 0.531 3291 E N 0.886 121.166 120.200 0.134 0.000 2.114 3291 E HA -0.271 4.080 4.350 0.002 0.000 0.199 3291 E C 1.776 178.547 176.600 0.285 0.000 1.008 3291 E CA 1.941 58.502 56.400 0.269 0.000 0.810 3291 E CB -0.093 29.669 29.700 0.102 0.000 0.739 3291 E HN 0.865 nan 8.360 nan 0.000 0.456 3292 E N 0.177 120.461 120.200 0.141 0.000 2.106 3292 E HA -0.178 4.174 4.350 0.002 0.000 0.192 3292 E C 2.122 178.787 176.600 0.107 0.000 0.984 3292 E CA 0.909 57.378 56.400 0.114 0.000 0.806 3292 E CB -0.103 29.631 29.700 0.057 0.000 0.750 3292 E HN 0.392 nan 8.360 nan 0.000 0.458 3293 E N 0.888 121.133 120.200 0.076 0.000 2.110 3293 E HA -0.144 4.207 4.350 0.002 0.000 0.193 3293 E C 2.110 178.730 176.600 0.034 0.000 0.988 3293 E CA 0.735 57.158 56.400 0.038 0.000 0.804 3293 E CB 0.001 29.706 29.700 0.008 0.000 0.745 3293 E HN 0.236 nan 8.360 nan 0.000 0.458 3294 L N 0.419 121.672 121.223 0.050 0.000 2.217 3294 L HA -0.125 4.216 4.340 0.002 0.000 0.211 3294 L C 2.361 179.274 176.870 0.073 0.000 1.107 3294 L CA 0.073 54.873 54.840 -0.066 0.000 0.783 3294 L CB -0.161 41.700 42.059 -0.331 0.000 0.919 3294 L HN 0.199 nan 8.230 nan 0.000 0.442 3295 L N -0.034 121.359 121.223 0.284 0.000 2.072 3295 L HA -0.148 4.194 4.340 0.002 0.000 0.205 3295 L C 2.388 179.359 176.870 0.169 0.000 1.079 3295 L CA 1.727 56.763 54.840 0.327 0.000 0.752 3295 L CB -0.434 41.783 42.059 0.263 0.000 0.906 3295 L HN 0.179 nan 8.230 nan 0.000 0.436 3296 E N -1.139 119.124 120.200 0.104 0.000 2.077 3296 E HA -0.205 4.146 4.350 0.002 0.000 0.193 3296 E C 1.930 178.555 176.600 0.041 0.000 0.989 3296 E CA 1.781 58.216 56.400 0.058 0.000 0.800 3296 E CB -0.181 29.539 29.700 0.034 0.000 0.746 3296 E HN 0.516 nan 8.360 nan 0.000 0.452 3297 T N 0.576 115.147 114.554 0.028 0.000 2.720 3297 T HA -0.158 4.193 4.350 0.002 0.000 0.268 3297 T C 1.990 176.712 174.700 0.036 0.000 1.037 3297 T CA 1.732 63.834 62.100 0.004 0.000 1.144 3297 T CB -0.404 68.445 68.868 -0.031 0.000 0.864 3297 T HN 0.186 nan 8.240 nan 0.000 0.444 3298 T N 2.209 116.830 114.554 0.113 0.000 2.652 3298 T HA -0.049 4.302 4.350 0.002 0.000 0.267 3298 T C 1.860 176.647 174.700 0.144 0.000 1.039 3298 T CA 0.823 63.072 62.100 0.248 0.000 1.153 3298 T CB -0.437 68.628 68.868 0.328 0.000 0.863 3298 T HN 0.070 nan 8.240 nan 0.000 0.428 3299 L N 1.089 122.372 121.223 0.100 0.000 2.079 3299 L HA -0.038 4.303 4.340 0.002 0.000 0.210 3299 L C 2.325 179.179 176.870 -0.027 0.000 1.081 3299 L CA 1.649 56.517 54.840 0.046 0.000 0.752 3299 L CB -0.676 41.410 42.059 0.045 0.000 0.896 3299 L HN 0.219 nan 8.230 nan 0.000 0.433 3300 K N -1.478 118.896 120.400 -0.043 0.000 2.057 3300 K HA -0.136 4.185 4.320 0.002 0.000 0.207 3300 K C 1.963 178.463 176.600 -0.167 0.000 1.049 3300 K CA 1.121 57.360 56.287 -0.080 0.000 0.931 3300 K CB -0.180 32.283 32.500 -0.060 0.000 0.714 3300 K HN 0.194 nan 8.250 nan 0.000 0.440 3301 M N 1.187 120.617 119.600 -0.282 0.000 2.346 3301 M HA -0.114 4.367 4.480 0.002 0.000 0.263 3301 M C 0.108 176.053 176.300 -0.591 0.000 1.064 3301 M CA 1.262 56.212 55.300 -0.583 0.000 1.083 3301 M CB -0.748 31.112 32.600 -1.234 0.000 1.399 3301 M HN 0.128 nan 8.290 nan 0.000 0.435 3302 K N 0.315 120.497 120.400 -0.363 0.000 3.244 3302 K HA -0.184 4.137 4.320 0.002 0.000 0.270 3302 K C -0.484 176.024 176.600 -0.154 0.000 1.016 3302 K CA 0.339 56.514 56.287 -0.187 0.000 0.754 3302 K CB -2.523 29.898 32.500 -0.131 0.000 1.326 3302 K HN 0.232 nan 8.250 nan 0.000 0.465 3303 F N 0.090 120.053 119.950 0.021 0.000 2.426 3303 F HA 0.068 4.596 4.527 0.001 0.000 0.309 3303 F C 1.942 177.753 175.800 0.018 0.000 1.246 3303 F CA -0.574 57.439 58.000 0.023 0.000 1.229 3303 F CB 0.218 39.242 39.000 0.040 0.000 1.255 3303 F HN 0.088 nan 8.300 nan 0.000 0.558 3304 L N 0.637 122.012 121.223 0.254 0.000 3.839 3304 L HA -0.278 4.063 4.340 0.002 0.000 0.416 3304 L C -0.236 176.689 176.870 0.091 0.000 1.195 3304 L CA 0.977 55.897 54.840 0.133 0.000 0.946 3304 L CB -1.900 40.221 42.059 0.104 0.000 1.891 3304 L HN 0.524 nan 8.230 nan 0.000 0.963 3305 S N -0.703 115.047 115.700 0.083 0.000 2.614 3305 S HA 0.607 5.078 4.470 0.002 0.000 0.275 3305 S C -0.660 173.951 174.600 0.020 0.000 1.161 3305 S CA -0.893 57.332 58.200 0.043 0.000 0.969 3305 S CB 1.081 64.291 63.200 0.017 0.000 1.059 3305 S HN 0.244 nan 8.310 nan 0.000 0.482 3306 L N 4.316 125.540 121.223 0.001 0.000 2.499 3306 L HA 0.410 4.751 4.340 0.002 0.000 0.273 3306 L C -0.133 176.684 176.870 -0.088 0.000 1.195 3306 L CA 0.634 55.435 54.840 -0.065 0.000 0.882 3306 L CB 0.407 42.331 42.059 -0.226 0.000 1.133 3306 L HN 0.644 nan 8.230 nan 0.000 0.483 3307 D N 4.096 124.448 120.400 -0.080 0.000 2.280 3307 D HA 0.184 4.825 4.640 0.002 0.000 0.243 3307 D C 0.784 177.032 176.300 -0.087 0.000 1.129 3307 D CA -0.078 53.877 54.000 -0.075 0.000 0.848 3307 D CB 0.952 41.713 40.800 -0.065 0.000 1.107 3307 D HN 0.623 nan 8.370 nan 0.000 0.471 3308 L N 2.012 123.191 121.223 -0.073 0.000 2.168 3308 L HA 0.061 4.402 4.340 0.002 0.000 0.203 3308 L C 0.515 177.366 176.870 -0.032 0.000 1.078 3308 L CA 0.464 55.269 54.840 -0.060 0.000 0.780 3308 L CB -0.101 41.926 42.059 -0.053 0.000 0.939 3308 L HN 0.286 nan 8.230 nan 0.000 0.451 3309 Q N 0.246 120.029 119.800 -0.029 0.000 2.290 3309 Q HA 0.632 4.973 4.340 0.002 0.000 0.259 3309 Q C -0.215 175.773 176.000 -0.020 0.000 0.941 3309 Q CA 0.040 55.834 55.803 -0.014 0.000 0.912 3309 Q CB 1.873 30.604 28.738 -0.012 0.000 1.244 3309 Q HN 0.240 nan 8.270 nan 0.000 0.441 3310 G N 1.920 110.715 108.800 -0.008 0.000 2.764 3310 G HA2 -0.087 3.874 3.960 0.002 0.000 0.678 3310 G HA3 -0.087 3.874 3.960 0.002 0.000 0.678 3310 G C -1.400 173.489 174.900 -0.018 0.000 1.341 3310 G CA -1.178 43.914 45.100 -0.013 0.000 0.836 3310 G HN 0.617 nan 8.290 nan 0.000 0.632 3311 D N 2.603 123.002 120.400 -0.002 0.000 2.570 3311 D HA 0.096 4.737 4.640 0.002 0.000 0.243 3311 D C -0.544 175.695 176.300 -0.101 0.000 1.171 3311 D CA -0.682 53.316 54.000 -0.002 0.000 0.879 3311 D CB 1.231 42.044 40.800 0.022 0.000 1.143 3311 D HN 0.063 nan 8.370 nan 0.000 0.511 3312 P HA -0.117 nan 4.420 nan 0.000 0.218 3312 P C 0.943 178.073 177.300 -0.283 0.000 1.146 3312 P CA 1.068 63.931 63.100 -0.395 0.000 0.813 3312 P CB 0.195 31.341 31.700 -0.923 0.000 0.778 3313 R N -0.448 119.856 120.500 -0.327 0.000 2.307 3313 R HA 0.007 4.348 4.340 0.002 0.000 0.199 3313 R C 1.288 177.587 176.300 -0.002 0.000 1.000 3313 R CA 0.744 56.743 56.100 -0.168 0.000 1.023 3313 R CB -0.211 29.942 30.300 -0.245 0.000 0.908 3313 R HN 0.382 nan 8.270 nan 0.000 0.473 3314 E N 0.133 120.318 120.200 -0.025 0.000 2.526 3314 E HA 0.034 4.385 4.350 0.002 0.000 0.208 3314 E C -0.425 176.173 176.600 -0.003 0.000 0.997 3314 E CA -0.123 56.276 56.400 -0.001 0.000 0.961 3314 E CB 1.015 30.711 29.700 -0.006 0.000 1.030 3314 E HN 0.115 nan 8.360 nan 0.000 0.483 3315 S N 1.390 117.083 115.700 -0.012 0.000 2.465 3315 S HA 0.229 4.700 4.470 0.002 0.000 0.279 3315 S C 0.173 174.786 174.600 0.021 0.000 1.201 3315 S CA -0.823 57.370 58.200 -0.012 0.000 1.053 3315 S CB 1.195 64.374 63.200 -0.036 0.000 0.953 3315 S HN -0.071 nan 8.310 nan 0.000 0.488 3316 Q N 3.637 123.464 119.800 0.046 0.000 2.509 3316 Q HA 0.272 4.613 4.340 0.002 0.000 0.230 3316 Q C -1.689 174.436 176.000 0.208 0.000 1.089 3316 Q CA -2.349 53.527 55.803 0.121 0.000 0.901 3316 Q CB 1.142 29.993 28.738 0.188 0.000 1.208 3316 Q HN 0.617 nan 8.270 nan 0.000 0.529 3317 P HA -0.112 nan 4.420 nan 0.000 0.225 3317 P C -0.040 177.425 177.300 0.275 0.000 1.148 3317 P CA 0.741 63.948 63.100 0.178 0.000 0.779 3317 P CB 0.367 32.115 31.700 0.080 0.000 0.780 3318 L N -5.274 116.068 121.223 0.198 0.000 3.002 3318 L HA 0.452 4.793 4.340 0.002 0.000 0.267 3318 L C -1.605 175.158 176.870 -0.179 0.000 0.997 3318 L CA -1.427 53.347 54.840 -0.110 0.000 0.961 3318 L CB -0.027 41.951 42.059 -0.135 0.000 1.502 3318 L HN -0.403 nan 8.230 nan 0.000 0.408 3319 L N 0.878 121.885 121.223 -0.360 0.000 2.344 3319 L HA 1.074 5.415 4.340 0.002 0.000 0.272 3319 L C 0.848 177.562 176.870 -0.261 0.000 1.035 3319 L CA 0.777 55.509 54.840 -0.180 0.000 0.807 3319 L CB 1.144 43.153 42.059 -0.083 0.000 1.237 3319 L HN 1.065 nan 8.230 nan 0.000 0.442 3320 G N -0.548 108.117 108.800 -0.224 0.000 2.793 3320 G HA2 0.376 4.337 3.960 0.002 0.000 0.248 3320 G HA3 0.376 4.337 3.960 0.002 0.000 0.248 3320 G C -1.104 173.676 174.900 -0.200 0.000 1.198 3320 G CA -0.454 44.366 45.100 -0.467 0.000 0.865 3320 G HN 0.414 nan 8.290 nan 0.000 0.534 3321 T N 0.883 115.350 114.554 -0.144 0.000 2.902 3321 T HA 0.437 4.789 4.350 0.002 0.000 0.301 3321 T C 0.526 175.234 174.700 0.013 0.000 1.012 3321 T CA 0.579 62.735 62.100 0.094 0.000 1.151 3321 T CB 0.682 69.613 68.868 0.104 0.000 0.946 3321 T HN 1.318 nan 8.240 nan 0.000 0.542 3322 V N 0.535 120.463 119.914 0.023 0.000 3.155 3322 V HA 0.635 4.756 4.120 0.002 0.000 0.313 3322 V C -0.607 175.455 176.094 -0.053 0.000 1.162 3322 V CA -1.365 60.911 62.300 -0.039 0.000 1.048 3322 V CB 1.811 33.594 31.823 -0.066 0.000 1.092 3322 V HN 0.577 nan 8.190 nan 0.000 0.447 3323 I N 3.374 123.906 120.570 -0.064 0.000 2.256 3323 I HA 0.289 4.460 4.170 0.002 0.000 0.294 3323 I C 0.788 176.862 176.117 -0.071 0.000 1.127 3323 I CA -0.040 61.223 61.300 -0.062 0.000 1.247 3323 I CB -0.049 37.919 38.000 -0.053 0.000 1.460 3323 I HN 0.960 nan 8.210 nan 0.000 0.511 3324 D N 3.769 124.118 120.400 -0.085 0.000 2.289 3324 D HA -0.009 4.632 4.640 0.002 0.000 0.207 3324 D C 1.415 177.672 176.300 -0.073 0.000 0.966 3324 D CA 1.052 54.989 54.000 -0.105 0.000 0.868 3324 D CB 0.389 41.090 40.800 -0.165 0.000 0.943 3324 D HN 0.667 nan 8.370 nan 0.000 0.514 3325 G N -0.049 108.718 108.800 -0.055 0.000 2.175 3325 G HA2 -0.256 3.705 3.960 0.002 0.000 0.244 3325 G HA3 -0.256 3.705 3.960 0.002 0.000 0.244 3325 G C 0.888 175.771 174.900 -0.027 0.000 0.982 3325 G CA 0.619 45.697 45.100 -0.036 0.000 0.641 3325 G HN 0.265 nan 8.290 nan 0.000 0.527 3326 M N -1.548 118.032 119.600 -0.034 0.000 2.817 3326 M HA 0.450 4.931 4.480 0.002 0.000 0.228 3326 M C 2.124 178.414 176.300 -0.017 0.000 1.644 3326 M CA 0.970 56.260 55.300 -0.017 0.000 1.177 3326 M CB -0.962 31.632 32.600 -0.009 0.000 1.302 3326 M HN 0.228 nan 8.290 nan 0.000 0.565 3327 L N 0.460 121.662 121.223 -0.034 0.000 2.221 3327 L HA 0.303 4.644 4.340 0.002 0.000 0.202 3327 L C 0.160 177.003 176.870 -0.046 0.000 1.074 3327 L CA 1.142 55.961 54.840 -0.036 0.000 0.795 3327 L CB 0.430 42.462 42.059 -0.045 0.000 0.960 3327 L HN 0.079 nan 8.230 nan 0.000 0.458 3328 L N 0.267 121.459 121.223 -0.053 0.000 2.376 3328 L HA 0.269 4.610 4.340 0.002 0.000 0.275 3328 L C 0.193 177.041 176.870 -0.037 0.000 0.987 3328 L CA -0.385 54.426 54.840 -0.049 0.000 0.828 3328 L CB 1.976 43.994 42.059 -0.069 0.000 1.249 3328 L HN 0.075 nan 8.230 nan 0.000 0.409 3329 L N 2.774 123.983 121.223 -0.023 0.000 2.509 3329 L HA 0.117 4.459 4.340 0.002 0.000 0.222 3329 L C 0.603 177.462 176.870 -0.018 0.000 1.123 3329 L CA 0.718 55.547 54.840 -0.018 0.000 0.856 3329 L CB -0.245 41.810 42.059 -0.007 0.000 0.985 3329 L HN 0.634 nan 8.230 nan 0.000 0.456 3330 K N -2.028 118.360 120.400 -0.021 0.000 2.614 3330 K HA 0.344 4.666 4.320 0.002 0.000 0.293 3330 K C -0.556 176.025 176.600 -0.031 0.000 1.045 3330 K CA -0.756 55.518 56.287 -0.022 0.000 0.880 3330 K CB 0.486 32.980 32.500 -0.010 0.000 1.552 3330 K HN -0.161 nan 8.250 nan 0.000 0.404 3331 T N -1.724 112.810 114.554 -0.034 0.000 2.932 3331 T HA 0.106 4.457 4.350 0.002 0.000 0.312 3331 T C -1.838 172.834 174.700 -0.045 0.000 1.071 3331 T CA -0.775 61.297 62.100 -0.047 0.000 1.128 3331 T CB 0.376 69.215 68.868 -0.049 0.000 0.984 3331 T HN 0.310 nan 8.240 nan 0.000 0.549 3332 P HA -0.099 nan 4.420 nan 0.000 0.217 3332 P C 1.200 178.469 177.300 -0.052 0.000 1.148 3332 P CA 1.110 64.166 63.100 -0.073 0.000 0.828 3332 P CB 0.064 31.704 31.700 -0.100 0.000 0.783 3333 E N -0.314 119.859 120.200 -0.045 0.000 2.072 3333 E HA -0.159 4.192 4.350 0.002 0.000 0.191 3333 E C 1.905 178.508 176.600 0.004 0.000 0.985 3333 E CA 1.083 57.469 56.400 -0.024 0.000 0.801 3333 E CB -0.719 28.961 29.700 -0.033 0.000 0.750 3333 E HN 0.414 nan 8.360 nan 0.000 0.452 3334 E N 0.389 120.591 120.200 0.002 0.000 2.150 3334 E HA -0.116 4.235 4.350 0.002 0.000 0.193 3334 E C 1.926 178.554 176.600 0.047 0.000 0.985 3334 E CA 0.651 57.062 56.400 0.019 0.000 0.814 3334 E CB -0.089 29.616 29.700 0.008 0.000 0.752 3334 E HN 0.244 nan 8.360 nan 0.000 0.466 3335 L N 0.785 122.037 121.223 0.049 0.000 2.291 3335 L HA -0.156 4.185 4.340 0.002 0.000 0.214 3335 L C 2.382 179.375 176.870 0.204 0.000 1.120 3335 L CA 0.842 55.745 54.840 0.104 0.000 0.799 3335 L CB -0.251 41.850 42.059 0.069 0.000 0.925 3335 L HN 0.162 nan 8.230 nan 0.000 0.446 3336 Q N -0.003 119.880 119.800 0.139 0.000 2.049 3336 Q HA -0.118 4.223 4.340 0.002 0.000 0.198 3336 Q C 2.473 178.632 176.000 0.265 0.000 0.971 3336 Q CA 1.480 57.414 55.803 0.218 0.000 0.833 3336 Q CB -0.216 28.572 28.738 0.084 0.000 0.896 3336 Q HN 0.520 nan 8.270 nan 0.000 0.434 3337 A N 1.120 124.026 122.820 0.144 0.000 2.070 3337 A HA -0.210 4.111 4.320 0.002 0.000 0.220 3337 A C 1.769 179.406 177.584 0.087 0.000 1.159 3337 A CA 1.200 53.299 52.037 0.103 0.000 0.656 3337 A CB -0.374 18.664 19.000 0.064 0.000 0.800 3337 A HN 0.343 nan 8.150 nan 0.000 0.453 3338 E N -0.757 119.505 120.200 0.103 0.000 2.265 3338 E HA -0.173 4.178 4.350 0.002 0.000 0.196 3338 E C 0.074 176.677 176.600 0.005 0.000 0.996 3338 E CA 0.228 56.665 56.400 0.061 0.000 0.832 3338 E CB 0.046 29.794 29.700 0.080 0.000 0.756 3338 E HN 0.317 nan 8.360 nan 0.000 0.491 3339 R N -0.345 120.150 120.500 -0.009 0.000 3.741 3339 R HA -0.255 4.086 4.340 0.002 0.000 0.292 3339 R C 0.509 176.604 176.300 -0.341 0.000 1.176 3339 R CA 1.076 57.024 56.100 -0.254 0.000 0.794 3339 R CB -2.791 27.414 30.300 -0.159 0.000 1.213 3339 R HN 0.330 nan 8.270 nan 0.000 0.494 3340 N N 0.849 119.433 118.700 -0.194 0.000 2.278 3340 N HA -0.026 4.715 4.740 0.002 0.000 0.181 3340 N C 0.496 175.939 175.510 -0.113 0.000 1.023 3340 N CA 0.668 53.655 53.050 -0.105 0.000 0.862 3340 N CB -0.008 38.492 38.487 0.023 0.000 1.003 3340 N HN 0.289 nan 8.380 nan 0.000 0.431 3341 F N 2.176 122.155 119.950 0.047 0.000 2.635 3341 F HA 0.046 4.574 4.527 0.002 0.000 0.379 3341 F C 0.825 176.688 175.800 0.106 0.000 1.094 3341 F CA -0.970 57.084 58.000 0.089 0.000 1.300 3341 F CB -0.444 38.617 39.000 0.102 0.000 1.035 3341 F HN 0.171 nan 8.300 nan 0.000 0.581 3342 H N 2.530 121.649 119.070 0.080 0.000 2.929 3342 H HA 0.184 4.741 4.556 0.002 0.000 0.317 3342 H C -0.258 175.116 175.328 0.075 0.000 1.031 3342 H CA -0.291 55.741 56.048 -0.026 0.000 1.466 3342 H CB 0.280 29.998 29.762 -0.074 0.000 1.482 3342 H HN 0.842 nan 8.280 nan 0.000 0.561 3343 T N 2.304 116.729 114.554 -0.215 0.000 2.832 3343 T HA 0.495 4.846 4.350 0.002 0.000 0.296 3343 T C 0.438 175.021 174.700 -0.194 0.000 0.968 3343 T CA -0.262 61.734 62.100 -0.173 0.000 1.107 3343 T CB 0.534 69.264 68.868 -0.230 0.000 0.916 3343 T HN 0.734 nan 8.240 nan 0.000 0.517 3344 V N -0.359 119.555 119.914 -0.000 0.000 3.147 3344 V HA 0.717 4.838 4.120 0.002 0.000 0.306 3344 V C -3.248 173.011 176.094 0.274 0.000 1.209 3344 V CA -3.321 58.991 62.300 0.020 0.000 1.023 3344 V CB 1.545 33.300 31.823 -0.114 0.000 1.059 3344 V HN 0.582 nan 8.190 nan 0.000 0.435 3345 P HA 0.125 nan 4.420 nan 0.000 0.261 3345 P C -1.440 176.215 177.300 0.591 0.000 1.183 3345 P CA 0.819 64.118 63.100 0.330 0.000 0.761 3345 P CB -0.261 31.398 31.700 -0.069 0.000 0.785 3346 Y N 4.026 124.581 120.300 0.424 0.000 2.329 3346 Y HA 0.473 5.024 4.550 0.002 0.000 0.328 3346 Y C -0.566 175.332 175.900 -0.003 0.000 0.992 3346 Y CA -1.448 56.708 58.100 0.093 0.000 1.151 3346 Y CB 1.340 39.432 38.460 -0.614 0.000 1.150 3346 Y HN 0.211 nan 8.280 nan 0.000 0.450 3347 M N 7.734 127.292 119.600 -0.070 0.000 2.129 3347 M HA 0.563 5.045 4.480 0.002 0.000 0.348 3347 M C -2.115 173.959 176.300 -0.377 0.000 1.116 3347 M CA -0.653 54.388 55.300 -0.432 0.000 1.022 3347 M CB 0.873 32.864 32.600 -1.015 0.000 1.599 3347 M HN 0.428 nan 8.290 nan 0.000 0.449 3348 V N 4.718 124.395 119.914 -0.395 0.000 2.483 3348 V HA 0.853 4.974 4.120 0.002 0.000 0.297 3348 V C 0.201 176.034 176.094 -0.435 0.000 1.027 3348 V CA -0.582 61.451 62.300 -0.445 0.000 0.855 3348 V CB 1.415 32.865 31.823 -0.622 0.000 0.995 3348 V HN 1.011 nan 8.190 nan 0.000 0.424 3349 G N 4.007 112.455 108.800 -0.586 0.000 2.642 3349 G HA2 0.911 4.872 3.960 0.002 0.000 0.293 3349 G HA3 0.911 4.872 3.960 0.002 0.000 0.293 3349 G C -1.211 173.281 174.900 -0.679 0.000 1.341 3349 G CA -0.691 43.632 45.100 -1.295 0.000 0.916 3349 G HN 0.929 nan 8.290 nan 0.000 0.474 3350 I N -2.554 117.703 120.570 -0.522 0.000 3.174 3350 I HA 0.595 4.767 4.170 0.002 0.000 0.313 3350 I C -1.049 175.073 176.117 0.008 0.000 1.155 3350 I CA -1.379 59.827 61.300 -0.157 0.000 0.977 3350 I CB 2.410 40.361 38.000 -0.082 0.000 1.248 3350 I HN 0.432 nan 8.210 nan 0.000 0.453 3351 N N 1.398 120.135 118.700 0.062 0.000 2.466 3351 N HA 0.242 4.983 4.740 0.002 0.000 0.294 3351 N C 0.119 175.710 175.510 0.134 0.000 1.129 3351 N CA -0.803 52.356 53.050 0.182 0.000 0.931 3351 N CB 1.938 40.532 38.487 0.178 0.000 1.193 3351 N HN 0.526 nan 8.380 nan 0.000 0.500 3352 K N 0.789 121.286 120.400 0.162 0.000 2.074 3352 K HA -0.155 4.166 4.320 0.002 0.000 0.209 3352 K C 0.065 176.735 176.600 0.117 0.000 1.048 3352 K CA 1.844 58.203 56.287 0.121 0.000 0.926 3352 K CB 0.152 32.715 32.500 0.104 0.000 0.713 3352 K HN 0.548 nan 8.250 nan 0.000 0.444 3353 Q N 0.122 120.000 119.800 0.130 0.000 2.943 3353 Q HA 0.119 4.460 4.340 0.002 0.000 0.327 3353 Q C -0.190 175.889 176.000 0.133 0.000 0.937 3353 Q CA -0.301 55.584 55.803 0.136 0.000 0.914 3353 Q CB 1.380 30.202 28.738 0.140 0.000 1.339 3353 Q HN 0.141 nan 8.270 nan 0.000 0.417 3354 E N 0.168 120.416 120.200 0.081 0.000 2.171 3354 E HA -0.182 4.169 4.350 0.002 0.000 0.197 3354 E C 0.340 176.978 176.600 0.063 0.000 0.997 3354 E CA 1.292 57.675 56.400 -0.028 0.000 0.810 3354 E CB 0.157 29.637 29.700 -0.366 0.000 0.738 3354 E HN 0.424 nan 8.360 nan 0.000 0.467 3355 F N 0.143 120.076 119.950 -0.028 0.000 2.923 3355 F HA 0.313 4.841 4.527 0.002 0.000 0.314 3355 F C 1.510 177.315 175.800 0.008 0.000 1.196 3355 F CA -0.295 57.683 58.000 -0.037 0.000 1.320 3355 F CB 0.528 39.491 39.000 -0.062 0.000 0.953 3355 F HN -0.106 nan 8.300 nan 0.000 0.505 3356 G N -0.085 108.781 108.800 0.109 0.000 2.408 3356 G HA2 -0.201 3.760 3.960 0.002 0.000 0.215 3356 G HA3 -0.201 3.760 3.960 0.002 0.000 0.215 3356 G C 0.944 175.954 174.900 0.182 0.000 1.156 3356 G CA 1.013 46.203 45.100 0.150 0.000 0.793 3356 G HN 0.613 nan 8.290 nan 0.000 0.535 3357 W N -1.232 120.019 121.300 -0.083 0.000 5.536 3357 W HA 0.289 4.951 4.660 0.002 0.000 0.165 3357 W C 1.791 178.239 176.519 -0.118 0.000 1.879 3357 W CA 0.132 57.428 57.345 -0.082 0.000 1.983 3357 W CB -0.625 28.831 29.460 -0.007 0.000 0.657 3357 W HN 0.001 nan 8.180 nan 0.000 1.106 3358 L N 1.995 123.064 121.223 -0.256 0.000 1.991 3358 L HA -0.262 4.079 4.340 0.002 0.000 0.221 3358 L C 2.203 178.751 176.870 -0.536 0.000 1.079 3358 L CA 3.124 57.661 54.840 -0.504 0.000 0.778 3358 L CB -0.939 41.142 42.059 0.037 0.000 0.893 3358 L HN 0.216 nan 8.230 nan 0.000 0.437 3359 I N -0.897 119.394 120.570 -0.466 0.000 2.142 3359 I HA -0.197 3.974 4.170 0.002 0.000 0.240 3359 I C -0.298 175.461 176.117 -0.597 0.000 1.078 3359 I CA 1.233 62.233 61.300 -0.500 0.000 1.343 3359 I CB -1.827 35.870 38.000 -0.506 0.000 1.046 3359 I HN 0.276 nan 8.210 nan 0.000 0.405 3360 P HA -0.161 nan 4.420 nan 0.000 0.216 3360 P C 1.127 178.265 177.300 -0.271 0.000 1.150 3360 P CA 1.187 63.899 63.100 -0.647 0.000 0.837 3360 P CB -0.009 31.264 31.700 -0.712 0.000 0.786 3364 M N -0.339 119.248 119.600 -0.023 0.000 2.428 3364 M HA 0.208 4.689 4.480 0.002 0.000 0.239 3364 M C 0.450 176.800 176.300 0.083 0.000 1.121 3364 M CA 0.226 55.574 55.300 0.079 0.000 1.019 3364 M CB 0.685 33.412 32.600 0.213 0.000 1.485 3364 M HN 0.184 nan 8.290 nan 0.000 0.484 3365 S N 0.223 115.959 115.700 0.060 0.000 3.858 3365 S HA -0.161 4.310 4.470 0.002 0.000 0.356 3365 S C -0.433 174.212 174.600 0.074 0.000 1.013 3365 S CA 0.121 58.349 58.200 0.046 0.000 1.083 3365 S CB -2.011 61.193 63.200 0.007 0.000 0.883 3365 S HN 0.450 nan 8.310 nan 0.000 0.475 3366 Y N 1.177 121.484 120.300 0.012 0.000 2.610 3366 Y HA 0.239 4.790 4.550 0.002 0.000 0.332 3366 Y C -1.625 174.310 175.900 0.057 0.000 1.201 3366 Y CA -1.036 57.106 58.100 0.070 0.000 1.465 3366 Y CB 0.233 38.769 38.460 0.126 0.000 1.283 3366 Y HN 0.085 nan 8.280 nan 0.000 0.563 3367 P HA 0.125 nan 4.420 nan 0.000 0.231 3367 P C -0.321 177.040 177.300 0.101 0.000 1.756 3367 P CA 0.598 63.734 63.100 0.060 0.000 0.990 3367 P CB -0.296 31.405 31.700 0.002 0.000 1.973 3368 L N -0.471 120.835 121.223 0.138 0.000 3.110 3368 L HA 0.183 4.524 4.340 0.002 0.000 0.266 3368 L C 1.905 178.834 176.870 0.099 0.000 1.257 3368 L CA 0.073 54.990 54.840 0.128 0.000 1.038 3368 L CB -0.034 42.135 42.059 0.183 0.000 1.395 3368 L HN 0.078 nan 8.230 nan 0.000 0.566 3369 S N 0.821 116.568 115.700 0.079 0.000 2.392 3369 S HA -0.216 4.255 4.470 0.002 0.000 0.232 3369 S C 1.640 176.275 174.600 0.058 0.000 1.041 3369 S CA 1.845 60.085 58.200 0.066 0.000 1.026 3369 S CB 0.041 63.271 63.200 0.049 0.000 0.845 3369 S HN 0.578 nan 8.310 nan 0.000 0.465 3370 E N -0.378 119.852 120.200 0.050 0.000 2.481 3370 E HA 0.188 4.539 4.350 0.002 0.000 0.195 3370 E C 1.185 177.814 176.600 0.048 0.000 1.047 3370 E CA 0.287 56.712 56.400 0.041 0.000 0.867 3370 E CB -0.193 29.525 29.700 0.030 0.000 0.858 3370 E HN 0.551 nan 8.360 nan 0.000 0.513 3371 G N 2.225 111.063 108.800 0.063 0.000 2.305 3371 G HA2 -0.340 3.621 3.960 0.002 0.000 0.287 3371 G HA3 -0.340 3.621 3.960 0.002 0.000 0.287 3371 G C -0.076 174.860 174.900 0.059 0.000 1.036 3371 G CA 0.992 46.135 45.100 0.072 0.000 0.887 3371 G HN 0.327 nan 8.290 nan 0.000 0.505 3372 Q N -1.726 118.103 119.800 0.048 0.000 2.426 3372 Q HA 0.753 5.094 4.340 0.002 0.000 0.278 3372 Q C -1.800 174.207 176.000 0.012 0.000 1.007 3372 Q CA -0.988 54.836 55.803 0.035 0.000 0.850 3372 Q CB 1.775 30.530 28.738 0.028 0.000 1.427 3372 Q HN 0.399 nan 8.270 nan 0.000 0.391 3373 L N 2.521 123.747 121.223 0.005 0.000 2.505 3373 L HA 0.511 4.852 4.340 0.002 0.000 0.259 3373 L C -1.777 175.084 176.870 -0.014 0.000 0.952 3373 L CA -0.279 54.540 54.840 -0.035 0.000 0.840 3373 L CB 2.141 44.138 42.059 -0.104 0.000 1.358 3373 L HN 0.819 nan 8.230 nan 0.000 0.409 3374 D N 1.197 121.584 120.400 -0.022 0.000 2.414 3374 D HA 0.333 4.974 4.640 0.002 0.000 0.241 3374 D C 0.382 176.684 176.300 0.004 0.000 1.008 3374 D CA -0.586 53.415 54.000 0.002 0.000 1.001 3374 D CB 0.786 41.590 40.800 0.006 0.000 1.277 3374 D HN 0.377 nan 8.370 nan 0.000 0.538 3375 Q N 0.502 120.318 119.800 0.027 0.000 2.029 3375 Q HA -0.208 4.133 4.340 0.002 0.000 0.209 3375 Q C 1.639 177.662 176.000 0.040 0.000 0.999 3375 Q CA 1.701 57.530 55.803 0.044 0.000 0.857 3375 Q CB -0.404 28.362 28.738 0.047 0.000 0.926 3375 Q HN 0.591 nan 8.270 nan 0.000 0.415 3376 K N -0.248 120.169 120.400 0.028 0.000 2.152 3376 K HA -0.100 4.222 4.320 0.002 0.000 0.206 3376 K C 2.143 178.758 176.600 0.024 0.000 1.048 3376 K CA 1.561 57.865 56.287 0.028 0.000 0.933 3376 K CB -0.051 32.461 32.500 0.020 0.000 0.721 3376 K HN 0.228 nan 8.250 nan 0.000 0.447 3377 T N 0.564 115.117 114.554 -0.001 0.000 2.896 3377 T HA -0.018 4.333 4.350 0.002 0.000 0.263 3377 T C 1.951 176.612 174.700 -0.064 0.000 1.050 3377 T CA 0.974 63.059 62.100 -0.024 0.000 1.140 3377 T CB -0.076 68.764 68.868 -0.046 0.000 0.877 3377 T HN 0.270 nan 8.240 nan 0.000 0.457 3378 A N 1.813 124.575 122.820 -0.098 0.000 1.902 3378 A HA -0.070 4.252 4.320 0.002 0.000 0.217 3378 A C 2.335 179.982 177.584 0.105 0.000 1.181 3378 A CA 1.484 53.414 52.037 -0.178 0.000 0.623 3378 A CB -0.713 18.262 19.000 -0.042 0.000 0.818 3378 A HN 0.429 nan 8.150 nan 0.000 0.443 3379 M N -0.422 119.259 119.600 0.135 0.000 2.117 3379 M HA -0.138 4.343 4.480 0.002 0.000 0.262 3379 M C 2.417 178.854 176.300 0.228 0.000 1.065 3379 M CA 1.787 57.203 55.300 0.194 0.000 1.114 3379 M CB -0.396 32.282 32.600 0.129 0.000 1.361 3379 M HN 0.427 nan 8.290 nan 0.000 0.408 3380 S N 0.783 116.581 115.700 0.164 0.000 2.368 3380 S HA -0.058 4.413 4.470 0.002 0.000 0.224 3380 S C 1.865 176.600 174.600 0.225 0.000 1.029 3380 S CA 1.017 59.334 58.200 0.195 0.000 0.988 3380 S CB -0.323 62.945 63.200 0.113 0.000 0.838 3380 S HN 0.394 nan 8.310 nan 0.000 0.462 3381 L N 0.622 121.946 121.223 0.168 0.000 2.056 3381 L HA -0.070 4.271 4.340 0.002 0.000 0.207 3381 L C 2.317 179.421 176.870 0.390 0.000 1.078 3381 L CA 0.750 55.718 54.840 0.213 0.000 0.749 3381 L CB -0.326 41.801 42.059 0.114 0.000 0.901 3381 L HN 0.287 nan 8.230 nan 0.000 0.433 3382 L N -0.658 120.856 121.223 0.485 0.000 2.083 3382 L HA -0.268 4.073 4.340 0.002 0.000 0.209 3382 L C 2.116 179.214 176.870 0.379 0.000 1.083 3382 L CA 1.785 56.896 54.840 0.453 0.000 0.752 3382 L CB -0.726 41.603 42.059 0.449 0.000 0.899 3382 L HN 0.388 nan 8.230 nan 0.000 0.433 3383 W N 0.063 121.481 121.300 0.196 0.000 2.418 3383 W HA -0.163 4.498 4.660 0.001 0.000 0.292 3383 W C 1.952 178.562 176.519 0.151 0.000 1.213 3383 W CA 0.610 58.052 57.345 0.162 0.000 1.283 3383 W CB 0.117 29.635 29.460 0.097 0.000 1.119 3383 W HN 0.046 nan 8.180 nan 0.000 0.542 3384 K N 0.807 121.192 120.400 -0.025 0.000 2.147 3384 K HA -0.114 4.207 4.320 0.002 0.000 0.205 3384 K C 1.717 178.238 176.600 -0.132 0.000 1.049 3384 K CA 1.649 57.841 56.287 -0.158 0.000 0.936 3384 K CB -0.854 31.616 32.500 -0.049 0.000 0.722 3384 K HN 0.174 nan 8.250 nan 0.000 0.446 3385 S N 0.061 115.764 115.700 0.005 0.000 2.685 3385 S HA 0.028 4.499 4.470 0.002 0.000 0.240 3385 S C 1.338 175.932 174.600 -0.009 0.000 0.967 3385 S CA -0.558 57.670 58.200 0.046 0.000 1.009 3385 S CB -0.433 62.898 63.200 0.218 0.000 0.776 3385 S HN 0.219 nan 8.310 nan 0.000 0.467 3386 Y N 3.885 124.042 120.300 -0.238 0.000 2.151 3386 Y HA -0.065 4.486 4.550 0.002 0.000 0.284 3386 Y C -0.947 174.848 175.900 -0.176 0.000 1.166 3386 Y CA 1.532 59.478 58.100 -0.257 0.000 1.163 3386 Y CB -1.221 36.906 38.460 -0.555 0.000 0.974 3386 Y HN 0.301 nan 8.280 nan 0.000 0.511 3387 P HA -0.156 nan 4.420 nan 0.000 0.228 3387 P C 1.115 178.306 177.300 -0.182 0.000 1.151 3387 P CA 1.553 64.565 63.100 -0.145 0.000 0.770 3387 P CB -0.051 31.624 31.700 -0.042 0.000 0.786 3388 L N -1.091 120.028 121.223 -0.174 0.000 2.537 3388 L HA 0.078 4.419 4.340 0.002 0.000 0.224 3388 L C 2.055 178.757 176.870 -0.280 0.000 1.065 3388 L CA 0.497 55.226 54.840 -0.185 0.000 0.860 3388 L CB 0.218 42.219 42.059 -0.096 0.000 1.086 3388 L HN -0.144 nan 8.230 nan 0.000 0.482 3389 V N -6.487 113.251 119.914 -0.294 0.000 3.502 3389 V HA 0.145 4.266 4.120 0.002 0.000 0.288 3389 V C 1.036 176.949 176.094 -0.301 0.000 1.461 3389 V CA -0.601 61.522 62.300 -0.296 0.000 1.029 3389 V CB -0.265 31.413 31.823 -0.243 0.000 0.843 3389 V HN 0.361 nan 8.190 nan 0.000 0.438 3390 C N 1.875 120.855 119.300 -0.534 0.000 3.744 3390 C HA -0.183 4.279 4.460 0.002 0.000 0.290 3390 C C 0.573 175.489 174.990 -0.123 0.000 1.385 3390 C CA 0.239 58.817 59.018 -0.732 0.000 2.099 3390 C CB -2.930 24.459 27.740 -0.584 0.000 1.359 3390 C HN 0.662 nan 8.230 nan 0.000 0.629 3391 I N 1.242 121.933 120.570 0.201 0.000 2.328 3391 I HA 0.442 4.613 4.170 0.002 0.000 0.287 3391 I C 1.042 177.550 176.117 0.652 0.000 1.012 3391 I CA -0.026 61.579 61.300 0.509 0.000 1.195 3391 I CB 0.981 39.243 38.000 0.437 0.000 1.350 3391 I HN 0.539 nan 8.210 nan 0.000 0.464 3392 A N 6.085 129.238 122.820 0.554 0.000 2.587 3392 A HA -0.061 4.260 4.320 0.002 0.000 0.235 3392 A C 1.568 179.335 177.584 0.305 0.000 1.044 3392 A CA 0.224 52.524 52.037 0.439 0.000 0.754 3392 A CB 0.105 19.271 19.000 0.277 0.000 0.968 3392 A HN 0.924 nan 8.150 nan 0.000 0.509 3393 K N 1.088 121.553 120.400 0.109 0.000 2.173 3393 K HA -0.215 4.106 4.320 0.002 0.000 0.207 3393 K C 1.797 178.333 176.600 -0.107 0.000 1.046 3393 K CA 2.000 58.140 56.287 -0.246 0.000 0.929 3393 K CB 0.024 31.986 32.500 -0.896 0.000 0.720 3393 K HN 0.913 nan 8.250 nan 0.000 0.453 3394 E N 0.487 120.663 120.200 -0.040 0.000 2.285 3394 E HA -0.169 4.182 4.350 0.002 0.000 0.194 3394 E C 1.700 178.320 176.600 0.034 0.000 0.997 3394 E CA 0.799 57.189 56.400 -0.017 0.000 0.845 3394 E CB -0.140 29.554 29.700 -0.009 0.000 0.782 3394 E HN 0.400 nan 8.360 nan 0.000 0.491 3395 L N 0.595 121.870 121.223 0.087 0.000 2.509 3395 L HA 0.020 4.361 4.340 0.002 0.000 0.222 3395 L C 2.371 179.322 176.870 0.135 0.000 1.123 3395 L CA -0.150 54.750 54.840 0.100 0.000 0.856 3395 L CB -0.226 41.910 42.059 0.128 0.000 0.985 3395 L HN 0.024 nan 8.230 nan 0.000 0.456 3396 I N 0.895 121.562 120.570 0.161 0.000 2.145 3396 I HA -0.217 3.955 4.170 0.002 0.000 0.244 3396 I C 0.028 176.241 176.117 0.160 0.000 1.075 3396 I CA 2.055 63.473 61.300 0.197 0.000 1.332 3396 I CB -2.344 35.770 38.000 0.191 0.000 1.033 3396 I HN 0.182 nan 8.210 nan 0.000 0.410 3397 P HA -0.161 nan 4.420 nan 0.000 0.215 3397 P C 1.695 179.055 177.300 0.100 0.000 1.157 3397 P CA 1.453 64.606 63.100 0.089 0.000 0.868 3397 P CB 0.003 31.734 31.700 0.052 0.000 0.788 3398 E N -0.656 119.602 120.200 0.097 0.000 2.038 3398 E HA -0.208 4.143 4.350 0.002 0.000 0.195 3398 E C 2.085 178.798 176.600 0.188 0.000 1.000 3398 E CA 1.407 57.876 56.400 0.115 0.000 0.803 3398 E CB -0.582 29.163 29.700 0.076 0.000 0.750 3398 E HN 0.097 nan 8.360 nan 0.000 0.448 3399 A N 0.514 123.464 122.820 0.216 0.000 1.858 3399 A HA -0.200 4.121 4.320 0.002 0.000 0.216 3399 A C 2.417 180.148 177.584 0.244 0.000 1.190 3399 A CA 2.160 54.358 52.037 0.268 0.000 0.617 3399 A CB -1.064 18.160 19.000 0.374 0.000 0.827 3399 A HN 0.232 nan 8.150 nan 0.000 0.443 3400 T N -0.379 114.312 114.554 0.230 0.000 2.684 3400 T HA -0.170 4.181 4.350 0.002 0.000 0.267 3400 T C 1.923 176.727 174.700 0.174 0.000 1.036 3400 T CA 1.844 64.080 62.100 0.227 0.000 1.148 3400 T CB -0.315 68.680 68.868 0.213 0.000 0.863 3400 T HN 0.631 nan 8.240 nan 0.000 0.436 3401 E N 1.321 121.591 120.200 0.117 0.000 2.118 3401 E HA -0.167 4.184 4.350 0.002 0.000 0.195 3401 E C 2.044 178.651 176.600 0.012 0.000 0.992 3401 E CA 1.418 57.856 56.400 0.063 0.000 0.804 3401 E CB -0.229 29.498 29.700 0.045 0.000 0.741 3401 E HN 0.291 nan 8.360 nan 0.000 0.458 3402 K N -1.019 119.361 120.400 -0.033 0.000 2.097 3402 K HA -0.134 4.187 4.320 0.002 0.000 0.206 3402 K C 1.651 178.110 176.600 -0.236 0.000 1.049 3402 K CA 1.554 57.686 56.287 -0.258 0.000 0.933 3402 K CB -0.454 31.624 32.500 -0.703 0.000 0.717 3402 K HN 0.263 nan 8.250 nan 0.000 0.442 3403 Y N -0.377 119.837 120.300 -0.142 0.000 2.343 3403 Y HA 0.172 4.724 4.550 0.002 0.000 0.294 3403 Y C 1.745 177.652 175.900 0.012 0.000 1.122 3403 Y CA 0.830 58.899 58.100 -0.051 0.000 1.173 3403 Y CB 0.206 38.687 38.460 0.035 0.000 1.077 3403 Y HN -0.100 nan 8.280 nan 0.000 0.542 3404 L N -1.866 119.482 121.223 0.208 0.000 2.354 3404 L HA 0.165 4.506 4.340 0.002 0.000 0.212 3404 L C 2.483 179.400 176.870 0.079 0.000 1.091 3404 L CA 0.801 55.732 54.840 0.150 0.000 0.828 3404 L CB -1.022 41.140 42.059 0.172 0.000 0.973 3404 L HN 0.228 nan 8.230 nan 0.000 0.461 3405 G N 0.882 109.715 108.800 0.055 0.000 2.475 3405 G HA2 -0.244 3.718 3.960 0.002 0.000 0.220 3405 G HA3 -0.244 3.718 3.960 0.002 0.000 0.220 3405 G C 1.509 176.413 174.900 0.007 0.000 1.125 3405 G CA 0.831 45.946 45.100 0.025 0.000 0.755 3405 G HN 0.492 nan 8.290 nan 0.000 0.565 3406 G N -1.245 107.551 108.800 -0.008 0.000 2.776 3406 G HA2 0.268 4.229 3.960 0.002 0.000 0.209 3406 G HA3 0.268 4.229 3.960 0.002 0.000 0.209 3406 G C 0.527 175.428 174.900 0.001 0.000 1.145 3406 G CA 1.138 46.228 45.100 -0.016 0.000 0.791 3406 G HN 0.601 nan 8.290 nan 0.000 0.530 3407 T N -1.765 112.800 114.554 0.017 0.000 2.883 3407 T HA 0.418 4.769 4.350 0.002 0.000 0.301 3407 T C -0.623 174.094 174.700 0.028 0.000 1.158 3407 T CA -0.663 61.451 62.100 0.023 0.000 1.007 3407 T CB 1.900 70.787 68.868 0.032 0.000 1.186 3407 T HN -0.119 nan 8.240 nan 0.000 0.499 3408 D N 0.889 121.303 120.400 0.024 0.000 2.417 3408 D HA 0.099 4.740 4.640 0.002 0.000 0.207 3408 D C -0.087 176.229 176.300 0.027 0.000 1.075 3408 D CA -0.014 54.000 54.000 0.024 0.000 0.851 3408 D CB 0.422 41.232 40.800 0.017 0.000 0.976 3408 D HN 0.528 nan 8.370 nan 0.000 0.505 3409 D N 1.651 122.069 120.400 0.030 0.000 2.346 3409 D HA -0.033 4.608 4.640 0.002 0.000 0.260 3409 D C 1.462 177.785 176.300 0.040 0.000 1.252 3409 D CA 0.252 54.272 54.000 0.032 0.000 0.895 3409 D CB 1.159 41.979 40.800 0.033 0.000 1.097 3409 D HN 0.029 nan 8.370 nan 0.000 0.489 3410 T N 0.363 114.938 114.554 0.035 0.000 3.007 3410 T HA -0.089 4.262 4.350 0.002 0.000 0.270 3410 T C 1.833 176.561 174.700 0.046 0.000 1.107 3410 T CA 0.529 62.651 62.100 0.037 0.000 1.118 3410 T CB 0.039 68.923 68.868 0.027 0.000 0.889 3410 T HN 0.213 nan 8.240 nan 0.000 0.506 3411 V N 1.140 121.082 119.914 0.048 0.000 2.446 3411 V HA 0.017 4.138 4.120 0.002 0.000 0.244 3411 V C 2.732 178.872 176.094 0.076 0.000 1.039 3411 V CA 1.237 63.572 62.300 0.058 0.000 1.045 3411 V CB -0.411 31.441 31.823 0.048 0.000 0.681 3411 V HN 0.424 nan 8.190 nan 0.000 0.459 3412 K N 0.213 120.655 120.400 0.071 0.000 2.147 3412 K HA -0.163 4.158 4.320 0.002 0.000 0.205 3412 K C 2.211 178.880 176.600 0.115 0.000 1.049 3412 K CA 1.253 57.591 56.287 0.085 0.000 0.936 3412 K CB -0.156 32.384 32.500 0.067 0.000 0.722 3412 K HN 0.393 nan 8.250 nan 0.000 0.446 3413 K N 0.963 121.426 120.400 0.106 0.000 2.097 3413 K HA -0.159 4.162 4.320 0.002 0.000 0.206 3413 K C 2.149 178.860 176.600 0.185 0.000 1.049 3413 K CA 1.084 57.452 56.287 0.135 0.000 0.933 3413 K CB 0.009 32.565 32.500 0.093 0.000 0.717 3413 K HN 0.011 nan 8.250 nan 0.000 0.442 3414 K N 1.561 122.050 120.400 0.148 0.000 2.057 3414 K HA -0.178 4.143 4.320 0.002 0.000 0.206 3414 K C 1.136 177.900 176.600 0.274 0.000 1.050 3414 K CA 1.777 58.176 56.287 0.186 0.000 0.935 3414 K CB -0.105 32.466 32.500 0.120 0.000 0.715 3414 K HN 0.027 nan 8.250 nan 0.000 0.439 3415 D N 1.197 121.720 120.400 0.205 0.000 2.117 3415 D HA -0.093 4.548 4.640 0.002 0.000 0.198 3415 D C 2.153 178.586 176.300 0.221 0.000 0.982 3415 D CA 0.880 54.999 54.000 0.198 0.000 0.828 3415 D CB -0.064 40.822 40.800 0.144 0.000 0.967 3415 D HN 0.217 nan 8.370 nan 0.000 0.464 3416 L N -0.143 121.219 121.223 0.231 0.000 2.201 3416 L HA -0.095 4.247 4.340 0.002 0.000 0.212 3416 L C 2.228 179.277 176.870 0.297 0.000 1.105 3416 L CA 0.339 55.341 54.840 0.271 0.000 0.775 3416 L CB -0.245 41.966 42.059 0.253 0.000 0.913 3416 L HN -0.035 nan 8.230 nan 0.000 0.440 3417 F N 0.354 120.384 119.950 0.133 0.000 2.206 3417 F HA -0.147 4.381 4.527 0.002 0.000 0.298 3417 F C 2.038 177.861 175.800 0.040 0.000 1.090 3417 F CA 1.328 59.375 58.000 0.078 0.000 1.323 3417 F CB -0.015 39.047 39.000 0.103 0.000 1.028 3417 F HN -0.119 nan 8.300 nan 0.000 0.492 3418 L N -0.204 121.121 121.223 0.169 0.000 2.217 3418 L HA -0.160 4.181 4.340 0.002 0.000 0.211 3418 L C 2.024 178.907 176.870 0.022 0.000 1.107 3418 L CA 1.000 55.911 54.840 0.119 0.000 0.783 3418 L CB -0.766 41.461 42.059 0.280 0.000 0.919 3418 L HN 0.103 nan 8.230 nan 0.000 0.442 3419 D N 0.308 120.753 120.400 0.075 0.000 2.117 3419 D HA -0.176 4.465 4.640 0.002 0.000 0.198 3419 D C 2.247 178.523 176.300 -0.039 0.000 0.982 3419 D CA 1.001 55.074 54.000 0.121 0.000 0.828 3419 D CB 0.022 40.989 40.800 0.279 0.000 0.967 3419 D HN 0.251 nan 8.370 nan 0.000 0.464 3420 L N 0.876 121.894 121.223 -0.342 0.000 1.990 3420 L HA -0.210 4.131 4.340 0.002 0.000 0.213 3420 L C 2.288 178.811 176.870 -0.577 0.000 1.072 3420 L CA 1.132 55.479 54.840 -0.823 0.000 0.755 3420 L CB -0.144 41.370 42.059 -0.908 0.000 0.889 3420 L HN -0.033 nan 8.230 nan 0.000 0.432 3421 I N 0.401 120.572 120.570 -0.665 0.000 2.127 3421 I HA -0.298 3.873 4.170 0.002 0.000 0.241 3421 I C 2.918 178.750 176.117 -0.475 0.000 1.075 3421 I CA 1.686 62.529 61.300 -0.762 0.000 1.334 3421 I CB -1.935 35.237 38.000 -1.380 0.000 1.040 3421 I HN 0.353 nan 8.210 nan 0.000 0.405 3422 A N 0.631 123.315 122.820 -0.225 0.000 1.917 3422 A HA -0.244 4.077 4.320 0.002 0.000 0.219 3422 A C 2.004 179.646 177.584 0.096 0.000 1.182 3422 A CA 2.199 54.299 52.037 0.106 0.000 0.633 3422 A CB -0.665 18.427 19.000 0.153 0.000 0.819 3422 A HN 0.401 nan 8.150 nan 0.000 0.448 3423 D N -0.431 119.955 120.400 -0.023 0.000 2.097 3423 D HA -0.081 4.560 4.640 0.002 0.000 0.197 3423 D C 2.077 178.247 176.300 -0.217 0.000 0.984 3423 D CA 1.474 55.470 54.000 -0.006 0.000 0.826 3423 D CB -0.478 40.430 40.800 0.180 0.000 0.973 3423 D HN 0.224 nan 8.370 nan 0.000 0.460 3424 V N 0.761 120.380 119.914 -0.491 0.000 2.515 3424 V HA -0.195 3.926 4.120 0.002 0.000 0.250 3424 V C 2.381 178.220 176.094 -0.425 0.000 1.058 3424 V CA 1.274 63.194 62.300 -0.632 0.000 1.064 3424 V CB -0.332 31.013 31.823 -0.797 0.000 0.675 3424 V HN 0.201 nan 8.190 nan 0.000 0.461 3425 M N -1.898 117.459 119.600 -0.406 0.000 2.248 3425 M HA 0.083 4.564 4.480 0.002 0.000 0.265 3425 M C 1.788 177.630 176.300 -0.763 0.000 1.079 3425 M CA 1.918 56.849 55.300 -0.615 0.000 1.150 3425 M CB -0.015 32.141 32.600 -0.740 0.000 1.366 3425 M HN 0.351 nan 8.290 nan 0.000 0.433 3426 F N -1.618 118.267 119.950 -0.109 0.000 2.532 3426 F HA 0.357 4.885 4.527 0.003 0.000 0.276 3426 F C 2.390 178.144 175.800 -0.078 0.000 0.911 3426 F CA 0.299 58.260 58.000 -0.065 0.000 1.196 3426 F CB -1.402 37.599 39.000 0.001 0.000 1.087 3426 F HN 0.027 nan 8.300 nan 0.000 0.775 3427 G N 1.050 109.942 108.800 0.153 0.000 2.586 3427 G HA2 -0.248 3.713 3.960 0.002 0.000 0.218 3427 G HA3 -0.248 3.713 3.960 0.002 0.000 0.218 3427 G C 1.725 176.635 174.900 0.016 0.000 1.216 3427 G CA 1.973 47.108 45.100 0.059 0.000 0.786 3427 G HN 0.188 nan 8.290 nan 0.000 0.583 3428 V N 2.203 122.132 119.914 0.024 0.000 2.343 3428 V HA -0.112 4.009 4.120 0.002 0.000 0.247 3428 V C 0.391 176.483 176.094 -0.004 0.000 1.051 3428 V CA 2.328 64.655 62.300 0.046 0.000 1.036 3428 V CB -1.078 30.798 31.823 0.088 0.000 0.654 3428 V HN 0.309 nan 8.190 nan 0.000 0.451 3429 P HA -0.084 nan 4.420 nan 0.000 0.216 3429 P C 2.003 179.251 177.300 -0.087 0.000 1.153 3429 P CA 1.707 64.755 63.100 -0.086 0.000 0.848 3429 P CB -0.061 31.550 31.700 -0.148 0.000 0.787 3430 S N -0.662 114.985 115.700 -0.089 0.000 2.356 3430 S HA -0.111 4.360 4.470 0.002 0.000 0.223 3430 S C 2.040 176.532 174.600 -0.180 0.000 1.032 3430 S CA 1.296 59.411 58.200 -0.141 0.000 1.005 3430 S CB -1.351 61.764 63.200 -0.141 0.000 0.867 3430 S HN -0.056 nan 8.310 nan 0.000 0.449 3431 V N 2.364 122.195 119.914 -0.139 0.000 2.343 3431 V HA -0.171 3.950 4.120 0.002 0.000 0.247 3431 V C 2.103 178.169 176.094 -0.047 0.000 1.051 3431 V CA 1.522 63.745 62.300 -0.128 0.000 1.036 3431 V CB -0.700 31.100 31.823 -0.039 0.000 0.654 3431 V HN 0.454 nan 8.190 nan 0.000 0.451 3432 I N -0.511 120.052 120.570 -0.013 0.000 2.286 3432 I HA -0.209 3.962 4.170 0.002 0.000 0.248 3432 I C 2.383 178.503 176.117 0.005 0.000 1.115 3432 I CA 1.222 62.535 61.300 0.022 0.000 1.392 3432 I CB -0.365 37.649 38.000 0.023 0.000 1.065 3432 I HN 0.170 nan 8.210 nan 0.000 0.418 3433 V N 0.969 120.853 119.914 -0.050 0.000 2.358 3433 V HA -0.253 3.868 4.120 0.002 0.000 0.246 3433 V C 2.697 178.762 176.094 -0.048 0.000 1.047 3433 V CA 1.898 64.164 62.300 -0.058 0.000 1.035 3433 V CB -0.736 31.023 31.823 -0.107 0.000 0.658 3433 V HN 0.477 nan 8.190 nan 0.000 0.452 3434 A N -0.048 122.682 122.820 -0.150 0.000 1.902 3434 A HA -0.227 4.094 4.320 0.002 0.000 0.217 3434 A C 2.346 179.999 177.584 0.116 0.000 1.181 3434 A CA 1.782 53.711 52.037 -0.180 0.000 0.623 3434 A CB -0.488 18.165 19.000 -0.578 0.000 0.818 3434 A HN 0.506 nan 8.150 nan 0.000 0.443 3435 R N -0.523 120.081 120.500 0.173 0.000 2.096 3435 R HA -0.134 4.207 4.340 0.002 0.000 0.235 3435 R C 1.894 178.310 176.300 0.194 0.000 1.127 3435 R CA 1.691 57.944 56.100 0.255 0.000 0.968 3435 R CB -0.394 30.026 30.300 0.199 0.000 0.861 3435 R HN 0.596 nan 8.270 nan 0.000 0.440 3436 N N -0.489 118.314 118.700 0.172 0.000 2.171 3436 N HA -0.142 4.599 4.740 0.002 0.000 0.184 3436 N C 1.616 177.313 175.510 0.312 0.000 1.021 3436 N CA 1.046 54.217 53.050 0.202 0.000 0.854 3436 N CB -0.194 38.393 38.487 0.167 0.000 0.994 3436 N HN 0.261 nan 8.380 nan 0.000 0.426 3437 H N 0.806 120.019 119.070 0.239 0.000 2.353 3437 H HA 0.057 4.614 4.556 0.002 0.000 0.300 3437 H C 2.194 177.681 175.328 0.264 0.000 1.090 3437 H CA 1.533 57.799 56.048 0.363 0.000 1.327 3437 H CB 0.146 30.098 29.762 0.317 0.000 1.383 3437 H HN 0.040 nan 8.280 nan 0.000 0.508 3438 R N 0.305 120.958 120.500 0.254 0.000 2.070 3438 R HA -0.127 4.214 4.340 0.002 0.000 0.232 3438 R C 1.123 177.463 176.300 0.066 0.000 1.138 3438 R CA 1.953 58.145 56.100 0.153 0.000 0.936 3438 R CB -0.242 30.185 30.300 0.213 0.000 0.839 3438 R HN 0.368 nan 8.270 nan 0.000 0.429 3439 D N 0.203 120.655 120.400 0.087 0.000 2.384 3439 D HA -0.085 4.556 4.640 0.002 0.000 0.222 3439 D C 1.014 177.321 176.300 0.010 0.000 0.976 3439 D CA 0.976 55.004 54.000 0.046 0.000 0.915 3439 D CB 0.138 40.975 40.800 0.061 0.000 0.896 3439 D HN 0.403 nan 8.370 nan 0.000 0.523 3440 A N -0.559 122.258 122.820 -0.006 0.000 2.275 3440 A HA 0.459 4.780 4.320 0.002 0.000 0.212 3440 A C 1.841 179.333 177.584 -0.154 0.000 1.201 3440 A CA 0.820 52.793 52.037 -0.106 0.000 0.843 3440 A CB 0.062 18.958 19.000 -0.173 0.000 0.873 3440 A HN 0.217 nan 8.150 nan 0.000 0.492 3441 G N -1.939 106.800 108.800 -0.102 0.000 2.195 3441 G HA2 0.080 4.041 3.960 0.002 0.000 0.246 3441 G HA3 0.080 4.041 3.960 0.002 0.000 0.246 3441 G C 0.461 175.300 174.900 -0.102 0.000 0.984 3441 G CA 0.224 45.268 45.100 -0.094 0.000 0.633 3441 G HN 1.568 nan 8.290 nan 0.000 0.525 3442 A N 0.528 123.246 122.820 -0.168 0.000 2.302 3442 A HA 0.768 5.089 4.320 0.002 0.000 0.285 3442 A C -2.169 175.420 177.584 0.009 0.000 1.105 3442 A CA -1.249 50.706 52.037 -0.138 0.000 0.816 3442 A CB 0.612 19.385 19.000 -0.378 0.000 1.067 3442 A HN 0.103 nan 8.150 nan 0.000 0.489 3443 P HA 0.242 nan 4.420 nan 0.000 0.267 3443 P C -0.588 176.815 177.300 0.171 0.000 1.209 3443 P CA 0.641 63.790 63.100 0.082 0.000 0.763 3443 P CB 0.787 32.573 31.700 0.144 0.000 0.816 3444 T N 3.278 117.812 114.554 -0.034 0.000 2.893 3444 T HA 0.581 4.932 4.350 0.002 0.000 0.291 3444 T C -1.036 173.476 174.700 -0.313 0.000 1.028 3444 T CA -0.288 61.831 62.100 0.033 0.000 0.995 3444 T CB 0.836 69.833 68.868 0.215 0.000 1.051 3444 T HN 0.112 nan 8.240 nan 0.000 0.470 3445 Y N 0.941 121.231 120.300 -0.017 0.000 2.470 3445 Y HA 0.645 5.197 4.550 0.002 0.000 0.341 3445 Y C -0.127 175.751 175.900 -0.036 0.000 1.021 3445 Y CA -1.054 56.999 58.100 -0.079 0.000 1.025 3445 Y CB 1.973 40.110 38.460 -0.538 0.000 1.266 3445 Y HN 0.392 nan 8.280 nan 0.000 0.448 3446 M N 3.388 123.238 119.600 0.416 0.000 2.690 3446 M HA 0.589 5.070 4.480 0.002 0.000 0.302 3446 M C -1.585 175.053 176.300 0.564 0.000 1.234 3446 M CA -1.046 54.395 55.300 0.235 0.000 0.853 3446 M CB 3.291 35.792 32.600 -0.164 0.000 1.748 3446 M HN 0.760 nan 8.290 nan 0.000 0.469 3447 Y N -1.528 118.902 120.300 0.217 0.000 2.624 3447 Y HA 0.666 5.217 4.550 0.002 0.000 0.334 3447 Y C -1.703 174.271 175.900 0.123 0.000 1.155 3447 Y CA -1.007 57.182 58.100 0.147 0.000 1.046 3447 Y CB 1.457 39.946 38.460 0.047 0.000 1.316 3447 Y HN 0.700 nan 8.280 nan 0.000 0.457 3448 E N 2.822 123.221 120.200 0.332 0.000 2.255 3448 E HA 0.313 4.664 4.350 0.002 0.000 0.256 3448 E C -2.158 174.668 176.600 0.377 0.000 0.887 3448 E CA -0.827 55.711 56.400 0.230 0.000 0.782 3448 E CB 1.151 30.942 29.700 0.151 0.000 1.214 3448 E HN 0.637 nan 8.360 nan 0.000 0.417 3449 F N 4.014 124.159 119.950 0.324 0.000 2.424 3449 F HA 0.206 4.734 4.527 0.002 0.000 0.356 3449 F C -0.239 175.673 175.800 0.187 0.000 1.110 3449 F CA 0.008 58.165 58.000 0.262 0.000 1.161 3449 F CB 0.904 40.085 39.000 0.302 0.000 1.115 3449 F HN 0.418 nan 8.300 nan 0.000 0.507 3450 Q N 7.499 127.094 119.800 -0.343 0.000 2.616 3450 Q HA 0.258 4.599 4.340 0.002 0.000 0.250 3450 Q C -2.262 173.571 176.000 -0.279 0.000 0.991 3450 Q CA -0.586 55.106 55.803 -0.185 0.000 0.707 3450 Q CB 1.011 29.722 28.738 -0.045 0.000 1.247 3450 Q HN 0.830 nan 8.270 nan 0.000 0.491 3451 Y N 1.015 121.051 120.300 -0.440 0.000 2.604 3451 Y HA 0.385 4.936 4.550 0.002 0.000 0.331 3451 Y C -1.883 174.018 175.900 0.002 0.000 1.158 3451 Y CA -0.905 57.026 58.100 -0.281 0.000 1.056 3451 Y CB 1.572 39.748 38.460 -0.472 0.000 1.330 3451 Y HN 0.511 nan 8.280 nan 0.000 0.457 3452 R N 6.298 126.445 120.500 -0.588 0.000 2.312 3452 R HA 0.458 4.800 4.340 0.002 0.000 0.310 3452 R C -2.799 173.289 176.300 -0.354 0.000 1.064 3452 R CA -2.048 53.866 56.100 -0.309 0.000 0.983 3452 R CB 0.821 30.945 30.300 -0.294 0.000 1.139 3452 R HN 0.410 nan 8.270 nan 0.000 0.536 3453 P HA -0.054 nan 4.420 nan 0.000 0.266 3453 P C 0.264 177.431 177.300 -0.221 0.000 1.195 3453 P CA 0.207 63.337 63.100 0.050 0.000 0.768 3453 P CB 1.347 33.060 31.700 0.023 0.000 0.838 3454 S N 1.360 116.838 115.700 -0.371 0.000 2.481 3454 S HA -0.081 4.390 4.470 0.002 0.000 0.231 3454 S C 1.164 175.401 174.600 -0.606 0.000 0.996 3454 S CA 0.426 58.307 58.200 -0.531 0.000 0.942 3454 S CB -1.029 61.791 63.200 -0.633 0.000 0.768 3454 S HN 0.359 nan 8.310 nan 0.000 0.520 3455 F N 2.684 122.415 119.950 -0.364 0.000 2.769 3455 F HA 0.381 4.909 4.527 0.002 0.000 0.304 3455 F C 1.138 176.697 175.800 -0.401 0.000 1.158 3455 F CA -0.544 57.225 58.000 -0.384 0.000 1.398 3455 F CB -0.799 37.915 39.000 -0.478 0.000 1.094 3455 F HN 0.006 nan 8.300 nan 0.000 0.553 3456 S N -0.085 115.470 115.700 -0.241 0.000 2.579 3456 S HA 0.064 4.535 4.470 0.002 0.000 0.275 3456 S C 0.612 175.161 174.600 -0.085 0.000 1.345 3456 S CA -0.605 57.516 58.200 -0.132 0.000 1.031 3456 S CB 0.866 63.974 63.200 -0.154 0.000 0.892 3456 S HN 0.295 nan 8.310 nan 0.000 0.529 3457 S N 0.483 116.164 115.700 -0.032 0.000 2.568 3457 S HA -0.010 4.462 4.470 0.002 0.000 0.282 3457 S C 0.857 175.347 174.600 -0.184 0.000 1.338 3457 S CA -0.492 57.682 58.200 -0.043 0.000 1.045 3457 S CB 0.144 63.395 63.200 0.084 0.000 0.873 3457 S HN 0.642 nan 8.310 nan 0.000 0.516 3458 D N 3.412 123.743 120.400 -0.114 0.000 2.264 3458 D HA -0.056 4.586 4.640 0.002 0.000 0.208 3458 D C 1.510 177.703 176.300 -0.179 0.000 0.966 3458 D CA 1.152 55.072 54.000 -0.134 0.000 0.864 3458 D CB 0.015 40.772 40.800 -0.073 0.000 0.933 3458 D HN 0.611 nan 8.370 nan 0.000 0.499 3459 M N 0.231 119.719 119.600 -0.186 0.000 2.558 3459 M HA -0.021 4.460 4.480 0.002 0.000 0.255 3459 M C 1.030 177.011 176.300 -0.532 0.000 1.113 3459 M CA 0.340 55.538 55.300 -0.170 0.000 1.097 3459 M CB 0.263 32.931 32.600 0.113 0.000 1.426 3459 M HN -0.260 nan 8.290 nan 0.000 0.488 3460 K N 3.221 122.998 120.400 -1.039 0.000 2.339 3460 K HA 0.157 4.478 4.320 0.002 0.000 0.286 3460 K C -2.253 173.924 176.600 -0.705 0.000 1.050 3460 K CA -1.578 53.777 56.287 -1.553 0.000 0.956 3460 K CB 0.609 32.252 32.500 -1.428 0.000 0.990 3460 K HN -0.089 nan 8.250 nan 0.000 0.475 3461 P HA -0.005 nan 4.420 nan 0.000 0.268 3461 P C -0.574 176.602 177.300 -0.206 0.000 1.204 3461 P CA 0.094 63.048 63.100 -0.244 0.000 0.768 3461 P CB 0.771 32.400 31.700 -0.119 0.000 0.842 3462 K N 0.928 121.233 120.400 -0.159 0.000 2.360 3462 K HA -0.069 4.252 4.320 0.002 0.000 0.201 3462 K C 1.616 178.154 176.600 -0.105 0.000 1.046 3462 K CA 1.677 57.880 56.287 -0.140 0.000 0.945 3462 K CB -0.438 31.988 32.500 -0.124 0.000 0.750 3462 K HN 0.615 nan 8.250 nan 0.000 0.464 3463 T N -1.746 112.764 114.554 -0.073 0.000 3.085 3463 T HA 0.041 4.392 4.350 0.002 0.000 0.263 3463 T C 0.863 175.548 174.700 -0.024 0.000 1.127 3463 T CA -0.119 61.956 62.100 -0.042 0.000 1.103 3463 T CB -0.082 68.777 68.868 -0.015 0.000 0.921 3463 T HN -0.203 nan 8.240 nan 0.000 0.510 3464 V N 2.904 122.802 119.914 -0.028 0.000 2.446 3464 V HA 0.314 4.436 4.120 0.002 0.000 0.276 3464 V C 0.055 176.151 176.094 0.004 0.000 1.030 3464 V CA -0.211 62.099 62.300 0.017 0.000 1.033 3464 V CB -0.274 31.574 31.823 0.042 0.000 0.993 3464 V HN 0.464 nan 8.190 nan 0.000 0.477 3465 I N 3.833 124.419 120.570 0.027 0.000 2.436 3465 I HA 0.625 4.796 4.170 0.002 0.000 0.289 3465 I C 0.875 177.040 176.117 0.080 0.000 1.010 3465 I CA -0.598 60.708 61.300 0.010 0.000 1.098 3465 I CB 1.763 39.745 38.000 -0.030 0.000 1.266 3465 I HN 0.752 nan 8.210 nan 0.000 0.434 3466 G N 3.550 112.434 108.800 0.140 0.000 2.289 3466 G HA2 -0.230 3.731 3.960 0.002 0.000 0.280 3466 G HA3 -0.230 3.731 3.960 0.002 0.000 0.280 3466 G C -0.395 174.654 174.900 0.248 0.000 1.089 3466 G CA -0.077 45.175 45.100 0.253 0.000 0.939 3466 G HN 0.751 nan 8.290 nan 0.000 0.499 3467 D N -0.889 119.663 120.400 0.253 0.000 2.354 3467 D HA 0.401 5.043 4.640 0.002 0.000 0.247 3467 D C 0.906 177.358 176.300 0.253 0.000 1.138 3467 D CA -0.515 53.636 54.000 0.252 0.000 0.958 3467 D CB 0.414 41.392 40.800 0.297 0.000 1.144 3467 D HN 0.397 nan 8.370 nan 0.000 0.458 3468 H N 0.134 119.276 119.070 0.120 0.000 3.125 3468 H HA 0.268 4.825 4.556 0.002 0.000 0.310 3468 H C 1.394 176.820 175.328 0.164 0.000 0.980 3468 H CA 1.923 58.010 56.048 0.064 0.000 1.422 3468 H CB 0.087 29.859 29.762 0.017 0.000 1.432 3468 H HN 0.602 nan 8.280 nan 0.000 0.577 3469 G N 4.175 112.768 108.800 -0.344 0.000 2.199 3469 G HA2 -0.351 3.610 3.960 0.002 0.000 0.254 3469 G HA3 -0.351 3.610 3.960 0.002 0.000 0.254 3469 G C 1.231 176.011 174.900 -0.200 0.000 0.982 3469 G CA 0.509 45.341 45.100 -0.447 0.000 0.632 3469 G HN 0.656 nan 8.290 nan 0.000 0.529 3470 D N 0.999 121.454 120.400 0.092 0.000 2.182 3470 D HA -0.063 4.578 4.640 0.002 0.000 0.201 3470 D C 2.440 178.765 176.300 0.042 0.000 0.986 3470 D CA 1.437 55.633 54.000 0.327 0.000 0.847 3470 D CB -0.092 40.996 40.800 0.479 0.000 0.942 3470 D HN 0.729 nan 8.370 nan 0.000 0.467 3471 E N 1.226 121.078 120.200 -0.580 0.000 2.274 3471 E HA -0.134 4.217 4.350 0.002 0.000 0.194 3471 E C 2.218 178.460 176.600 -0.596 0.000 0.996 3471 E CA 0.221 55.892 56.400 -1.215 0.000 0.840 3471 E CB -0.702 28.215 29.700 -1.304 0.000 0.772 3471 E HN 0.325 nan 8.360 nan 0.000 0.491 3472 L N -0.113 120.829 121.223 -0.468 0.000 2.081 3472 L HA -0.179 4.162 4.340 0.002 0.000 0.212 3472 L C 2.477 179.087 176.870 -0.434 0.000 1.080 3472 L CA 1.615 56.174 54.840 -0.468 0.000 0.754 3472 L CB -0.622 41.025 42.059 -0.688 0.000 0.893 3472 L HN 0.035 nan 8.230 nan 0.000 0.433 3473 F N -0.994 118.856 119.950 -0.167 0.000 2.293 3473 F HA -0.154 4.374 4.527 0.002 0.000 0.300 3473 F C 2.591 178.299 175.800 -0.152 0.000 1.086 3473 F CA 1.035 58.946 58.000 -0.149 0.000 1.375 3473 F CB -0.474 38.498 39.000 -0.046 0.000 1.045 3473 F HN -0.032 nan 8.300 nan 0.000 0.516 3474 S N -0.235 115.439 115.700 -0.043 0.000 2.371 3474 S HA -0.077 4.395 4.470 0.002 0.000 0.221 3474 S C 2.295 176.718 174.600 -0.296 0.000 1.036 3474 S CA 0.802 58.930 58.200 -0.121 0.000 0.965 3474 S CB -0.428 62.695 63.200 -0.129 0.000 0.845 3474 S HN 0.094 nan 8.310 nan 0.000 0.475 3475 V N 0.952 120.560 119.914 -0.509 0.000 2.287 3475 V HA -0.147 3.974 4.120 0.002 0.000 0.248 3475 V C 1.333 177.028 176.094 -0.664 0.000 1.053 3475 V CA 1.664 63.511 62.300 -0.755 0.000 1.027 3475 V CB -0.660 30.630 31.823 -0.890 0.000 0.646 3475 V HN 0.464 nan 8.190 nan 0.000 0.447 3476 F N 0.509 120.246 119.950 -0.355 0.000 2.660 3476 F HA 0.455 4.983 4.527 0.002 0.000 0.297 3476 F C 1.622 177.304 175.800 -0.196 0.000 1.132 3476 F CA 0.380 58.207 58.000 -0.288 0.000 1.372 3476 F CB -0.428 38.362 39.000 -0.350 0.000 1.003 3476 F HN 0.237 nan 8.300 nan 0.000 0.524 3477 G N 0.945 109.714 108.800 -0.051 0.000 2.395 3477 G HA2 -0.317 3.645 3.960 0.002 0.000 0.300 3477 G HA3 -0.317 3.645 3.960 0.002 0.000 0.300 3477 G C 1.304 176.258 174.900 0.091 0.000 0.998 3477 G CA 0.373 45.533 45.100 0.100 0.000 1.046 3477 G HN 0.602 nan 8.290 nan 0.000 0.513 3478 A N 0.283 123.059 122.820 -0.074 0.000 1.940 3478 A HA 0.051 4.372 4.320 0.002 0.000 0.219 3478 A C 0.641 178.012 177.584 -0.355 0.000 1.176 3478 A CA 2.076 53.931 52.037 -0.304 0.000 0.631 3478 A CB -0.789 17.892 19.000 -0.533 0.000 0.814 3478 A HN 0.482 nan 8.150 nan 0.000 0.446 3479 P HA -0.089 nan 4.420 nan 0.000 0.229 3479 P C 0.317 177.348 177.300 -0.448 0.000 1.150 3479 P CA 0.908 63.890 63.100 -0.197 0.000 0.765 3479 P CB -0.148 31.327 31.700 -0.375 0.000 0.783 3480 F N -2.955 117.010 119.950 0.025 0.000 2.682 3480 F HA 0.264 4.793 4.527 0.002 0.000 0.308 3480 F C 1.634 177.474 175.800 0.068 0.000 1.093 3480 F CA 0.147 58.188 58.000 0.069 0.000 1.244 3480 F CB 0.036 39.078 39.000 0.072 0.000 1.052 3480 F HN -0.199 nan 8.300 nan 0.000 0.573 3481 L N -1.362 119.945 121.223 0.139 0.000 2.730 3481 L HA 0.254 4.595 4.340 0.002 0.000 0.236 3481 L C 0.578 177.487 176.870 0.065 0.000 1.061 3481 L CA 0.187 55.083 54.840 0.094 0.000 0.898 3481 L CB 0.259 42.344 42.059 0.044 0.000 1.270 3481 L HN -0.218 nan 8.230 nan 0.000 0.500 3482 K N 0.727 121.149 120.400 0.037 0.000 2.139 3482 K HA 0.417 4.738 4.320 0.002 0.000 0.243 3482 K C -0.578 176.167 176.600 0.242 0.000 0.983 3482 K CA -0.510 55.854 56.287 0.129 0.000 0.890 3482 K CB 1.619 34.169 32.500 0.084 0.000 1.090 3482 K HN -0.057 nan 8.250 nan 0.000 0.445 3483 E N -0.758 119.579 120.200 0.228 0.000 2.250 3483 E HA 0.335 4.686 4.350 0.002 0.000 0.269 3483 E C 0.304 176.945 176.600 0.069 0.000 1.018 3483 E CA -0.186 56.295 56.400 0.135 0.000 0.873 3483 E CB 1.390 31.133 29.700 0.073 0.000 1.134 3483 E HN 0.793 nan 8.360 nan 0.000 0.403 3484 G N 0.577 109.367 108.800 -0.016 0.000 2.157 3484 G HA2 -0.256 3.705 3.960 0.002 0.000 0.239 3484 G HA3 -0.256 3.705 3.960 0.002 0.000 0.239 3484 G C 0.206 174.991 174.900 -0.192 0.000 0.982 3484 G CA -0.107 44.921 45.100 -0.120 0.000 0.650 3484 G HN 0.707 nan 8.290 nan 0.000 0.527 3485 A N 0.637 123.387 122.820 -0.117 0.000 2.450 3485 A HA 0.708 5.029 4.320 0.002 0.000 0.255 3485 A C 1.051 178.583 177.584 -0.087 0.000 1.096 3485 A CA 0.981 52.950 52.037 -0.113 0.000 0.778 3485 A CB 0.325 19.330 19.000 0.009 0.000 1.031 3485 A HN 1.973 nan 8.150 nan 0.000 0.494 3486 S N 1.856 117.510 115.700 -0.076 0.000 2.645 3486 S HA 0.197 4.668 4.470 0.002 0.000 0.266 3486 S C 0.695 175.277 174.600 -0.029 0.000 1.258 3486 S CA 0.106 58.279 58.200 -0.045 0.000 0.990 3486 S CB 0.534 63.717 63.200 -0.029 0.000 0.967 3486 S HN 0.701 nan 8.310 nan 0.000 0.556 3487 E N 0.392 120.583 120.200 -0.015 0.000 2.110 3487 E HA -0.207 4.144 4.350 0.002 0.000 0.193 3487 E C 1.930 178.528 176.600 -0.003 0.000 0.988 3487 E CA 1.360 57.756 56.400 -0.006 0.000 0.804 3487 E CB -0.156 29.546 29.700 0.004 0.000 0.745 3487 E HN 0.891 nan 8.360 nan 0.000 0.458 3488 E N 1.323 121.527 120.200 0.006 0.000 2.077 3488 E HA -0.255 4.096 4.350 0.002 0.000 0.193 3488 E C 2.052 178.636 176.600 -0.027 0.000 0.989 3488 E CA 1.150 57.555 56.400 0.008 0.000 0.800 3488 E CB 0.063 29.795 29.700 0.053 0.000 0.746 3488 E HN 0.213 nan 8.360 nan 0.000 0.452 3489 E N 0.188 120.395 120.200 0.012 0.000 2.106 3489 E HA -0.156 4.195 4.350 0.002 0.000 0.192 3489 E C 2.150 178.716 176.600 -0.056 0.000 0.984 3489 E CA 1.079 57.475 56.400 -0.006 0.000 0.806 3489 E CB -0.032 29.732 29.700 0.106 0.000 0.750 3489 E HN 0.369 nan 8.360 nan 0.000 0.458 3490 I N 0.397 120.922 120.570 -0.075 0.000 2.252 3490 I HA -0.257 3.914 4.170 0.002 0.000 0.245 3490 I C 2.576 178.698 176.117 0.009 0.000 1.102 3490 I CA 1.009 62.226 61.300 -0.138 0.000 1.385 3490 I CB -0.210 37.700 38.000 -0.151 0.000 1.064 3490 I HN 0.061 nan 8.210 nan 0.000 0.414 3491 R N 0.178 120.684 120.500 0.009 0.000 2.081 3491 R HA -0.180 4.161 4.340 0.002 0.000 0.235 3491 R C 2.276 178.572 176.300 -0.007 0.000 1.131 3491 R CA 1.184 57.299 56.100 0.025 0.000 0.960 3491 R CB -0.475 29.828 30.300 0.006 0.000 0.856 3491 R HN 0.219 nan 8.270 nan 0.000 0.436 3492 L N 0.602 121.783 121.223 -0.071 0.000 2.012 3492 L HA -0.187 4.154 4.340 0.002 0.000 0.210 3492 L C 2.328 179.173 176.870 -0.042 0.000 1.073 3492 L CA 1.959 56.733 54.840 -0.111 0.000 0.748 3492 L CB -0.838 41.033 42.059 -0.313 0.000 0.891 3492 L HN 0.049 nan 8.230 nan 0.000 0.431 3493 S N -0.807 114.884 115.700 -0.015 0.000 2.353 3493 S HA -0.244 4.228 4.470 0.002 0.000 0.222 3493 S C 2.085 176.702 174.600 0.029 0.000 1.035 3493 S CA 1.665 59.876 58.200 0.019 0.000 1.025 3493 S CB -0.252 63.008 63.200 0.100 0.000 0.902 3493 S HN 0.545 nan 8.310 nan 0.000 0.440 3494 K N 0.384 120.846 120.400 0.103 0.000 2.063 3494 K HA -0.150 4.171 4.320 0.002 0.000 0.208 3494 K C 2.340 178.928 176.600 -0.020 0.000 1.048 3494 K CA 1.778 58.095 56.287 0.050 0.000 0.928 3494 K CB -0.328 32.243 32.500 0.117 0.000 0.713 3494 K HN 0.496 nan 8.250 nan 0.000 0.442 3495 M N 0.854 120.437 119.600 -0.029 0.000 2.086 3495 M HA -0.181 4.300 4.480 0.002 0.000 0.261 3495 M C 2.024 178.305 176.300 -0.031 0.000 1.067 3495 M CA 1.559 56.799 55.300 -0.100 0.000 1.116 3495 M CB 0.010 32.585 32.600 -0.042 0.000 1.348 3495 M HN -0.060 nan 8.290 nan 0.000 0.407 3496 V N 1.094 121.042 119.914 0.057 0.000 2.295 3496 V HA -0.334 3.787 4.120 0.002 0.000 0.246 3496 V C 2.447 178.549 176.094 0.014 0.000 1.049 3496 V CA 2.218 64.553 62.300 0.058 0.000 1.024 3496 V CB -0.685 30.979 31.823 -0.266 0.000 0.648 3496 V HN 0.575 nan 8.190 nan 0.000 0.447 3497 M N -0.828 118.709 119.600 -0.105 0.000 2.149 3497 M HA -0.216 4.265 4.480 0.002 0.000 0.261 3497 M C 2.289 178.621 176.300 0.054 0.000 1.064 3497 M CA 1.809 57.056 55.300 -0.088 0.000 1.102 3497 M CB -0.564 31.950 32.600 -0.143 0.000 1.369 3497 M HN 0.254 nan 8.290 nan 0.000 0.408 3498 K N -0.099 120.317 120.400 0.027 0.000 2.057 3498 K HA -0.078 4.243 4.320 0.002 0.000 0.206 3498 K C 1.838 178.515 176.600 0.130 0.000 1.050 3498 K CA 1.351 57.648 56.287 0.016 0.000 0.935 3498 K CB -0.223 32.215 32.500 -0.104 0.000 0.715 3498 K HN 0.271 nan 8.250 nan 0.000 0.439 3499 F N -0.005 120.078 119.950 0.221 0.000 2.069 3499 F HA -0.256 4.272 4.527 0.002 0.000 0.298 3499 F C 2.440 178.407 175.800 0.277 0.000 1.113 3499 F CA 0.848 59.029 58.000 0.301 0.000 1.214 3499 F CB -0.170 39.158 39.000 0.547 0.000 0.978 3499 F HN 0.229 nan 8.300 nan 0.000 0.474 3500 W N -0.003 121.380 121.300 0.138 0.000 2.355 3500 W HA -0.236 4.425 4.660 0.002 0.000 0.309 3500 W C 2.610 179.118 176.519 -0.017 0.000 1.206 3500 W CA 1.017 58.353 57.345 -0.014 0.000 1.284 3500 W CB -0.634 28.735 29.460 -0.150 0.000 1.145 3500 W HN -0.012 nan 8.180 nan 0.000 0.502 3501 A N 0.347 123.283 122.820 0.194 0.000 1.969 3501 A HA -0.205 4.116 4.320 0.002 0.000 0.218 3501 A C 1.643 179.266 177.584 0.066 0.000 1.169 3501 A CA 1.790 53.873 52.037 0.077 0.000 0.635 3501 A CB -0.871 18.159 19.000 0.049 0.000 0.810 3501 A HN 0.244 nan 8.150 nan 0.000 0.445 3502 N N -1.137 117.624 118.700 0.103 0.000 2.188 3502 N HA -0.079 4.663 4.740 0.002 0.000 0.184 3502 N C 1.277 176.814 175.510 0.046 0.000 1.018 3502 N CA 1.131 54.225 53.050 0.072 0.000 0.858 3502 N CB -0.494 38.056 38.487 0.106 0.000 0.989 3502 N HN 0.514 nan 8.380 nan 0.000 0.426 3503 F N 1.440 121.317 119.950 -0.122 0.000 2.186 3503 F HA 0.051 4.579 4.527 0.002 0.000 0.299 3503 F C 2.092 177.811 175.800 -0.134 0.000 1.090 3503 F CA 0.949 58.819 58.000 -0.215 0.000 1.307 3503 F CB -0.441 38.331 39.000 -0.379 0.000 1.019 3503 F HN 0.018 nan 8.300 nan 0.000 0.489 3504 A N 1.504 124.289 122.820 -0.059 0.000 1.908 3504 A HA -0.226 4.095 4.320 0.002 0.000 0.218 3504 A C 2.324 179.837 177.584 -0.118 0.000 1.181 3504 A CA 2.061 54.037 52.037 -0.103 0.000 0.627 3504 A CB -0.747 18.226 19.000 -0.044 0.000 0.818 3504 A HN 0.577 nan 8.150 nan 0.000 0.445 3505 R N -1.761 118.688 120.500 -0.085 0.000 2.173 3505 R HA 0.124 4.465 4.340 0.002 0.000 0.208 3505 R C 0.500 176.741 176.300 -0.098 0.000 1.035 3505 R CA 1.189 57.246 56.100 -0.071 0.000 1.004 3505 R CB -0.192 30.090 30.300 -0.031 0.000 0.917 3505 R HN 0.420 nan 8.270 nan 0.000 0.462 3506 N N -0.045 118.577 118.700 -0.131 0.000 2.166 3506 N HA 0.097 4.838 4.740 0.002 0.000 0.213 3506 N C 0.609 176.002 175.510 -0.194 0.000 1.222 3506 N CA 0.795 53.773 53.050 -0.119 0.000 0.900 3506 N CB 1.562 40.015 38.487 -0.056 0.000 1.055 3506 N HN 0.434 nan 8.380 nan 0.000 0.515 3507 G N 1.556 110.101 108.800 -0.424 0.000 2.160 3507 G HA2 -0.260 3.701 3.960 0.002 0.000 0.251 3507 G HA3 -0.260 3.701 3.960 0.002 0.000 0.251 3507 G C -0.210 174.530 174.900 -0.267 0.000 1.008 3507 G CA 0.248 44.944 45.100 -0.674 0.000 0.724 3507 G HN 0.460 nan 8.290 nan 0.000 0.514 3508 N N -0.598 118.012 118.700 -0.149 0.000 2.455 3508 N HA 0.410 5.151 4.740 0.002 0.000 0.285 3508 N C -1.928 173.512 175.510 -0.117 0.000 1.080 3508 N CA -1.348 51.642 53.050 -0.099 0.000 0.932 3508 N CB 2.380 40.875 38.487 0.013 0.000 1.610 3508 N HN -0.062 nan 8.380 nan 0.000 0.493 3509 P HA 0.007 nan 4.420 nan 0.000 0.235 3509 P C -0.196 177.233 177.300 0.214 0.000 1.177 3509 P CA 0.265 63.311 63.100 -0.091 0.000 0.785 3509 P CB 0.395 31.774 31.700 -0.534 0.000 0.885 3510 N N 0.970 119.740 118.700 0.116 0.000 2.395 3510 N HA 0.231 4.973 4.740 0.002 0.000 0.246 3510 N C 0.895 176.509 175.510 0.172 0.000 1.246 3510 N CA 1.328 54.526 53.050 0.247 0.000 0.879 3510 N CB 0.314 38.935 38.487 0.222 0.000 1.098 3510 N HN 0.159 nan 8.380 nan 0.000 0.444 3511 G N -0.239 108.656 108.800 0.158 0.000 2.489 3511 G HA2 0.197 4.158 3.960 0.002 0.000 0.291 3511 G HA3 0.197 4.158 3.960 0.002 0.000 0.291 3511 G C -1.286 173.651 174.900 0.062 0.000 1.487 3511 G CA -0.789 44.360 45.100 0.082 0.000 0.795 3511 G HN 0.593 nan 8.290 nan 0.000 0.513 3512 E N -0.529 119.697 120.200 0.043 0.000 2.442 3512 E HA 0.397 4.749 4.350 0.002 0.000 0.262 3512 E C 1.108 177.714 176.600 0.010 0.000 1.004 3512 E CA 0.411 56.832 56.400 0.034 0.000 0.928 3512 E CB 0.820 30.535 29.700 0.026 0.000 0.937 3512 E HN 2.151 nan 8.360 nan 0.000 0.446 3513 G N 2.679 111.488 108.800 0.015 0.000 2.159 3513 G HA2 -0.260 3.701 3.960 0.002 0.000 0.256 3513 G HA3 -0.260 3.701 3.960 0.002 0.000 0.256 3513 G C -0.094 174.788 174.900 -0.030 0.000 0.977 3513 G CA 0.339 45.437 45.100 -0.004 0.000 0.652 3513 G HN 0.442 nan 8.290 nan 0.000 0.531 3514 L N 1.147 122.358 121.223 -0.019 0.000 2.381 3514 L HA 0.554 4.895 4.340 0.002 0.000 0.268 3514 L C -1.778 175.172 176.870 0.133 0.000 0.997 3514 L CA -2.408 52.398 54.840 -0.057 0.000 0.818 3514 L CB 2.167 44.045 42.059 -0.301 0.000 1.310 3514 L HN -0.082 nan 8.230 nan 0.000 0.416 3515 P HA -0.019 nan 4.420 nan 0.000 0.269 3515 P C -0.845 176.686 177.300 0.386 0.000 1.209 3515 P CA -0.145 63.114 63.100 0.265 0.000 0.776 3515 P CB 0.412 32.243 31.700 0.219 0.000 0.876 3516 H N 2.347 121.551 119.070 0.224 0.000 3.004 3516 H HA 0.071 4.628 4.556 0.002 0.000 0.316 3516 H C -0.913 174.593 175.328 0.297 0.000 1.014 3516 H CA 0.283 56.482 56.048 0.252 0.000 1.454 3516 H CB 0.076 29.941 29.762 0.172 0.000 1.472 3516 H HN 0.387 nan 8.280 nan 0.000 0.571 3517 W N 10.097 131.153 121.300 -0.406 0.000 2.299 3517 W HA 0.302 4.963 4.660 0.002 0.000 0.319 3517 W C -2.753 173.489 176.519 -0.462 0.000 1.008 3517 W CA -3.225 53.911 57.345 -0.348 0.000 1.384 3517 W CB 0.675 29.954 29.460 -0.302 0.000 1.220 3517 W HN 0.581 nan 8.180 nan 0.000 0.402 3518 P HA -0.007 nan 4.420 nan 0.000 0.269 3518 P C -0.210 177.305 177.300 0.359 0.000 1.209 3518 P CA 0.302 63.478 63.100 0.127 0.000 0.776 3518 P CB 1.366 33.181 31.700 0.192 0.000 0.876 3519 E N 1.644 121.974 120.200 0.217 0.000 2.390 3519 E HA -0.010 4.341 4.350 0.002 0.000 0.261 3519 E C -0.945 175.663 176.600 0.012 0.000 1.076 3519 E CA -0.554 55.793 56.400 -0.088 0.000 0.905 3519 E CB 0.236 29.819 29.700 -0.195 0.000 0.984 3519 E HN 0.366 nan 8.360 nan 0.000 0.427 3520 Y N 5.397 125.590 120.300 -0.178 0.000 2.594 3520 Y HA 0.105 4.656 4.550 0.002 0.000 0.344 3520 Y C -0.442 175.435 175.900 -0.038 0.000 1.185 3520 Y CA -0.366 57.722 58.100 -0.021 0.000 1.565 3520 Y CB -0.632 37.827 38.460 -0.003 0.000 1.415 3520 Y HN 0.503 nan 8.280 nan 0.000 0.488 3521 N N 0.478 119.036 118.700 -0.237 0.000 2.867 3521 N HA 0.125 4.867 4.740 0.002 0.000 0.326 3521 N C 0.736 176.088 175.510 -0.263 0.000 1.355 3521 N CA -0.417 52.524 53.050 -0.181 0.000 0.830 3521 N CB 0.210 38.645 38.487 -0.086 0.000 1.152 3521 N HN 0.216 nan 8.380 nan 0.000 0.569 3522 Q N -0.093 119.621 119.800 -0.142 0.000 2.234 3522 Q HA -0.067 4.274 4.340 0.002 0.000 0.206 3522 Q C 1.047 176.970 176.000 -0.128 0.000 0.980 3522 Q CA 1.478 57.210 55.803 -0.119 0.000 0.869 3522 Q CB -0.427 28.277 28.738 -0.057 0.000 0.912 3522 Q HN 0.640 nan 8.270 nan 0.000 0.436 3523 K N 0.599 120.931 120.400 -0.113 0.000 2.432 3523 K HA -0.032 4.289 4.320 0.002 0.000 0.196 3523 K C 0.020 176.558 176.600 -0.103 0.000 1.038 3523 K CA 0.055 56.300 56.287 -0.070 0.000 0.986 3523 K CB 0.210 32.696 32.500 -0.023 0.000 0.782 3523 K HN 0.214 nan 8.250 nan 0.000 0.485 3524 E N -0.068 119.959 120.200 -0.288 0.000 2.389 3524 E HA -0.161 4.190 4.350 0.002 0.000 0.243 3524 E C 0.082 176.699 176.600 0.027 0.000 1.154 3524 E CA 0.129 56.239 56.400 -0.483 0.000 0.723 3524 E CB -1.723 27.806 29.700 -0.284 0.000 1.261 3524 E HN 0.519 nan 8.360 nan 0.000 0.390 3525 G N 0.575 109.421 108.800 0.077 0.000 2.483 3525 G HA2 0.387 4.348 3.960 0.002 0.000 0.248 3525 G HA3 0.387 4.348 3.960 0.002 0.000 0.248 3525 G C -0.306 174.849 174.900 0.425 0.000 1.248 3525 G CA 0.168 45.389 45.100 0.201 0.000 0.838 3525 G HN 0.313 nan 8.290 nan 0.000 0.566 3526 Y N -0.342 120.085 120.300 0.212 0.000 2.638 3526 Y HA 0.667 5.218 4.550 0.002 0.000 0.335 3526 Y C -1.394 174.486 175.900 -0.034 0.000 1.155 3526 Y CA -1.821 56.409 58.100 0.216 0.000 1.046 3526 Y CB 1.380 39.969 38.460 0.215 0.000 1.303 3526 Y HN 0.569 nan 8.280 nan 0.000 0.460 3527 L N 2.705 123.769 121.223 -0.265 0.000 2.312 3527 L HA 0.473 4.814 4.340 0.002 0.000 0.281 3527 L C -0.761 175.960 176.870 -0.248 0.000 1.070 3527 L CA -0.283 54.176 54.840 -0.634 0.000 0.805 3527 L CB 1.557 42.642 42.059 -1.623 0.000 1.174 3527 L HN 0.782 nan 8.230 nan 0.000 0.434 3528 Q N 5.951 125.613 119.800 -0.230 0.000 2.347 3528 Q HA 0.498 4.839 4.340 0.002 0.000 0.262 3528 Q C -1.113 174.831 176.000 -0.092 0.000 0.980 3528 Q CA -0.238 55.540 55.803 -0.041 0.000 0.867 3528 Q CB 1.806 30.518 28.738 -0.044 0.000 1.242 3528 Q HN 0.574 nan 8.270 nan 0.000 0.453 3529 I N 1.700 122.244 120.570 -0.044 0.000 2.377 3529 I HA 0.741 4.913 4.170 0.002 0.000 0.293 3529 I C 0.593 176.558 176.117 -0.254 0.000 0.987 3529 I CA -0.379 60.866 61.300 -0.093 0.000 1.185 3529 I CB 1.657 39.680 38.000 0.038 0.000 1.341 3529 I HN 0.798 nan 8.210 nan 0.000 0.455 3530 G N 3.113 111.773 108.800 -0.233 0.000 2.399 3530 G HA2 0.337 4.298 3.960 0.002 0.000 0.256 3530 G HA3 0.337 4.298 3.960 0.002 0.000 0.256 3530 G C 0.301 175.127 174.900 -0.124 0.000 1.236 3530 G CA 0.046 44.998 45.100 -0.246 0.000 0.914 3530 G HN 0.591 nan 8.290 nan 0.000 0.482 3531 A N -0.157 122.686 122.820 0.040 0.000 1.884 3531 A HA 0.021 4.342 4.320 0.002 0.000 0.219 3531 A C 1.049 178.631 177.584 -0.003 0.000 1.197 3531 A CA 2.068 54.137 52.037 0.053 0.000 0.637 3531 A CB -0.840 18.224 19.000 0.106 0.000 0.827 3531 A HN 0.702 nan 8.150 nan 0.000 0.450 3532 N N -0.728 117.968 118.700 -0.006 0.000 2.424 3532 N HA 0.475 5.216 4.740 0.002 0.000 0.271 3532 N C -1.322 174.172 175.510 -0.027 0.000 0.985 3532 N CA -0.125 52.919 53.050 -0.011 0.000 0.921 3532 N CB 1.708 40.192 38.487 -0.004 0.000 1.149 3532 N HN 0.093 nan 8.380 nan 0.000 0.492 3533 T N 2.927 117.469 114.554 -0.020 0.000 2.779 3533 T HA 0.444 4.796 4.350 0.002 0.000 0.280 3533 T C -0.820 173.863 174.700 -0.029 0.000 0.987 3533 T CA -0.683 61.398 62.100 -0.033 0.000 0.966 3533 T CB 0.902 69.774 68.868 0.006 0.000 0.933 3533 T HN 0.491 nan 8.240 nan 0.000 0.442 3534 Q N 1.513 121.266 119.800 -0.078 0.000 2.594 3534 Q HA 0.592 4.933 4.340 0.002 0.000 0.278 3534 Q C -1.415 174.491 176.000 -0.157 0.000 0.961 3534 Q CA -1.076 54.684 55.803 -0.072 0.000 0.844 3534 Q CB 1.206 29.921 28.738 -0.038 0.000 1.475 3534 Q HN 0.660 nan 8.270 nan 0.000 0.389 3535 A N 0.900 123.645 122.820 -0.125 0.000 2.483 3535 A HA 0.696 5.017 4.320 0.002 0.000 0.238 3535 A C -0.092 177.339 177.584 -0.256 0.000 1.070 3535 A CA 0.726 52.650 52.037 -0.189 0.000 0.770 3535 A CB -0.047 18.934 19.000 -0.033 0.000 1.008 3535 A HN 1.238 nan 8.150 nan 0.000 0.497 3536 A N 1.258 123.790 122.820 -0.479 0.000 2.533 3536 A HA 0.781 5.102 4.320 0.002 0.000 0.293 3536 A C -0.645 176.697 177.584 -0.402 0.000 1.228 3536 A CA -0.585 51.165 52.037 -0.479 0.000 0.689 3536 A CB 1.063 19.652 19.000 -0.686 0.000 1.303 3536 A HN 0.861 nan 8.150 nan 0.000 0.444 3537 Q N -0.365 119.397 119.800 -0.063 0.000 2.495 3537 Q HA 0.526 4.867 4.340 0.002 0.000 0.287 3537 Q C -1.264 174.966 176.000 0.384 0.000 1.078 3537 Q CA -1.033 54.887 55.803 0.195 0.000 0.793 3537 Q CB 1.984 30.779 28.738 0.096 0.000 1.459 3537 Q HN 0.643 nan 8.270 nan 0.000 0.422 3538 K N 1.057 121.646 120.400 0.316 0.000 3.278 3538 K HA -0.217 4.104 4.320 0.002 0.000 0.270 3538 K C -0.482 176.237 176.600 0.199 0.000 0.955 3538 K CA 0.022 56.444 56.287 0.225 0.000 0.723 3538 K CB -1.276 31.306 32.500 0.137 0.000 1.382 3538 K HN 0.429 nan 8.250 nan 0.000 0.461 3539 L N 1.700 122.990 121.223 0.113 0.000 2.601 3539 L HA -0.086 4.256 4.340 0.002 0.000 0.277 3539 L C 0.614 177.444 176.870 -0.068 0.000 1.219 3539 L CA 1.000 55.689 54.840 -0.252 0.000 0.915 3539 L CB 0.203 41.746 42.059 -0.859 0.000 1.160 3539 L HN 0.312 nan 8.230 nan 0.000 0.494 3540 K N 2.967 123.354 120.400 -0.022 0.000 3.020 3540 K HA -0.310 4.011 4.320 0.002 0.000 0.266 3540 K C 1.081 177.733 176.600 0.087 0.000 1.067 3540 K CA 1.268 57.584 56.287 0.047 0.000 0.780 3540 K CB -1.601 30.925 32.500 0.043 0.000 1.220 3540 K HN 0.987 nan 8.250 nan 0.000 0.483 3541 D N 1.099 121.550 120.400 0.085 0.000 2.104 3541 D HA -0.171 4.470 4.640 0.002 0.000 0.194 3541 D C 1.377 177.735 176.300 0.096 0.000 0.994 3541 D CA 1.559 55.616 54.000 0.095 0.000 0.830 3541 D CB 0.264 41.117 40.800 0.088 0.000 0.959 3541 D HN 0.495 nan 8.370 nan 0.000 0.452 3542 K N -0.001 120.447 120.400 0.080 0.000 2.097 3542 K HA -0.123 4.199 4.320 0.002 0.000 0.205 3542 K C 2.200 178.869 176.600 0.115 0.000 1.050 3542 K CA 1.006 57.333 56.287 0.067 0.000 0.938 3542 K CB 0.052 32.561 32.500 0.015 0.000 0.718 3542 K HN 0.048 nan 8.250 nan 0.000 0.442 3543 E N 0.576 120.871 120.200 0.157 0.000 2.077 3543 E HA -0.145 4.206 4.350 0.002 0.000 0.193 3543 E C 1.968 178.823 176.600 0.424 0.000 0.989 3543 E CA 0.976 57.566 56.400 0.317 0.000 0.800 3543 E CB -0.321 29.607 29.700 0.380 0.000 0.746 3543 E HN -0.012 nan 8.360 nan 0.000 0.452 3544 V N 0.936 121.025 119.914 0.291 0.000 2.407 3544 V HA -0.265 3.856 4.120 0.002 0.000 0.248 3544 V C 2.173 178.395 176.094 0.212 0.000 1.055 3544 V CA 1.781 64.237 62.300 0.260 0.000 1.049 3544 V CB -0.833 31.092 31.823 0.170 0.000 0.662 3544 V HN 0.352 nan 8.190 nan 0.000 0.455 3545 A N -0.471 122.445 122.820 0.161 0.000 1.898 3545 A HA -0.203 4.118 4.320 0.002 0.000 0.216 3545 A C 2.097 179.724 177.584 0.072 0.000 1.181 3545 A CA 1.853 53.952 52.037 0.104 0.000 0.620 3545 A CB -0.640 18.410 19.000 0.084 0.000 0.819 3545 A HN 0.527 nan 8.150 nan 0.000 0.442 3546 F N -0.866 119.041 119.950 -0.071 0.000 2.113 3546 F HA -0.130 4.399 4.527 0.002 0.000 0.297 3546 F C 1.933 177.554 175.800 -0.299 0.000 1.103 3546 F CA 1.567 59.420 58.000 -0.244 0.000 1.248 3546 F CB -0.474 38.276 39.000 -0.416 0.000 0.999 3546 F HN 0.376 nan 8.300 nan 0.000 0.475 3547 W N 0.257 121.479 121.300 -0.130 0.000 2.418 3547 W HA -0.086 4.574 4.660 0.001 0.000 0.292 3547 W C 2.590 178.991 176.519 -0.196 0.000 1.213 3547 W CA 1.474 58.627 57.345 -0.319 0.000 1.283 3547 W CB -1.022 28.422 29.460 -0.027 0.000 1.119 3547 W HN -0.181 nan 8.180 nan 0.000 0.542 3548 T N 0.248 114.915 114.554 0.188 0.000 2.720 3548 T HA -0.269 4.082 4.350 0.002 0.000 0.268 3548 T C 1.458 176.191 174.700 0.056 0.000 1.037 3548 T CA 1.847 64.049 62.100 0.168 0.000 1.144 3548 T CB -0.525 68.418 68.868 0.125 0.000 0.864 3548 T HN 0.129 nan 8.240 nan 0.000 0.444 3549 N N 0.723 119.381 118.700 -0.070 0.000 2.216 3549 N HA -0.029 4.712 4.740 0.002 0.000 0.183 3549 N C 1.667 177.054 175.510 -0.204 0.000 1.017 3549 N CA 0.675 53.651 53.050 -0.123 0.000 0.861 3549 N CB -0.411 37.986 38.487 -0.149 0.000 0.986 3549 N HN 0.203 nan 8.380 nan 0.000 0.428 3550 L N -0.585 120.383 121.223 -0.424 0.000 2.109 3550 L HA 0.195 4.536 4.340 0.002 0.000 0.207 3550 L C 1.479 178.232 176.870 -0.195 0.000 1.086 3550 L CA 1.437 55.991 54.840 -0.477 0.000 0.760 3550 L CB -0.677 40.813 42.059 -0.948 0.000 0.910 3550 L HN 0.195 nan 8.230 nan 0.000 0.437 3551 F N -1.024 118.920 119.950 -0.010 0.000 2.699 3551 F HA 0.011 4.539 4.527 0.002 0.000 0.298 3551 F C 2.128 177.936 175.800 0.014 0.000 1.154 3551 F CA 0.284 58.307 58.000 0.038 0.000 1.457 3551 F CB -0.157 38.880 39.000 0.063 0.000 1.106 3551 F HN 0.200 nan 8.300 nan 0.000 0.585 3552 A N -0.206 122.705 122.820 0.151 0.000 2.275 3552 A HA 0.100 4.421 4.320 0.002 0.000 0.212 3552 A C 0.936 178.556 177.584 0.059 0.000 1.201 3552 A CA -0.079 52.013 52.037 0.091 0.000 0.843 3552 A CB -0.157 18.876 19.000 0.055 0.000 0.873 3552 A HN 0.147 nan 8.150 nan 0.000 0.492 3553 K N 0.000 120.431 120.400 0.051 0.000 2.780 3553 K HA 0.000 4.321 4.320 0.002 0.000 0.191 3553 K CA 0.000 56.306 56.287 0.032 0.000 0.838 3553 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 3553 K HN 0.000 nan 8.250 nan 0.000 0.543