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 2dqy_1_C DATA FIRST_RESID 3021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3021 S HA 0.000 nan 4.470 nan 0.000 0.327 3021 S C 0.000 174.716 174.600 0.194 0.000 1.055 3021 S CA 0.000 58.229 58.200 0.048 0.000 1.107 3021 S CB 0.000 63.164 63.200 -0.060 0.000 0.593 3022 S N 2.059 117.870 115.700 0.186 0.000 2.549 3022 S HA 0.436 4.907 4.470 0.002 0.000 0.283 3022 S C -2.473 172.257 174.600 0.217 0.000 1.320 3022 S CA -0.663 57.636 58.200 0.165 0.000 1.058 3022 S CB -0.509 62.763 63.200 0.120 0.000 0.882 3022 S HN 0.435 nan 8.310 nan 0.000 0.498 3023 P HA 0.118 nan 4.420 nan 0.000 0.263 3023 P C -2.506 174.700 177.300 -0.157 0.000 1.175 3023 P CA -0.662 62.382 63.100 -0.093 0.000 0.761 3023 P CB -0.289 31.364 31.700 -0.078 0.000 0.794 3024 P HA 0.045 nan 4.420 nan 0.000 0.267 3024 P C -0.805 176.482 177.300 -0.021 0.000 1.209 3024 P CA 0.449 63.364 63.100 -0.308 0.000 0.763 3024 P CB 0.442 31.761 31.700 -0.635 0.000 0.816 3025 V N 5.397 125.361 119.914 0.083 0.000 2.357 3025 V HA 0.195 4.316 4.120 0.002 0.000 0.281 3025 V C 0.221 176.371 176.094 0.093 0.000 1.015 3025 V CA -0.561 61.817 62.300 0.129 0.000 0.827 3025 V CB 1.718 33.596 31.823 0.092 0.000 1.018 3025 V HN 0.234 nan 8.190 nan 0.000 0.432 3026 V N 2.836 122.794 119.914 0.074 0.000 2.837 3026 V HA 0.479 4.600 4.120 0.002 0.000 0.310 3026 V C -0.160 175.875 176.094 -0.098 0.000 1.059 3026 V CA -0.522 61.669 62.300 -0.182 0.000 1.004 3026 V CB 2.158 33.530 31.823 -0.751 0.000 1.045 3026 V HN 0.785 nan 8.190 nan 0.000 0.465 3027 D N 1.878 122.191 120.400 -0.146 0.000 2.381 3027 D HA 0.413 5.054 4.640 0.002 0.000 0.235 3027 D C -0.108 176.143 176.300 -0.081 0.000 1.068 3027 D CA -0.069 53.899 54.000 -0.053 0.000 0.832 3027 D CB 1.785 42.554 40.800 -0.052 0.000 1.101 3027 D HN 0.795 nan 8.370 nan 0.000 0.515 3028 T N -0.700 113.872 114.554 0.030 0.000 2.937 3028 T HA 0.281 4.632 4.350 0.002 0.000 0.283 3028 T C 1.672 176.315 174.700 -0.096 0.000 1.012 3028 T CA -0.665 61.450 62.100 0.026 0.000 0.997 3028 T CB 1.094 70.155 68.868 0.322 0.000 1.136 3028 T HN 0.022 nan 8.240 nan 0.000 0.551 3029 V N 1.105 120.894 119.914 -0.209 0.000 2.324 3029 V HA -0.170 3.952 4.120 0.002 0.000 0.250 3029 V C 2.365 178.236 176.094 -0.372 0.000 1.060 3029 V CA 1.793 63.896 62.300 -0.328 0.000 1.042 3029 V CB -1.126 30.410 31.823 -0.479 0.000 0.650 3029 V HN 0.867 nan 8.190 nan 0.000 0.450 3030 H N -0.239 118.666 119.070 -0.274 0.000 2.539 3030 H HA 0.460 5.017 4.556 0.002 0.000 0.267 3030 H C 0.992 175.555 175.328 -1.273 0.000 0.982 3030 H CA 0.891 56.547 56.048 -0.654 0.000 1.146 3030 H CB 0.402 29.772 29.762 -0.653 0.000 1.382 3030 H HN 0.538 nan 8.280 nan 0.000 0.577 3031 G N 0.405 108.808 108.800 -0.663 0.000 2.326 3031 G HA2 -0.057 3.904 3.960 0.002 0.000 0.413 3031 G HA3 -0.057 3.904 3.960 0.002 0.000 0.413 3031 G C -1.188 173.891 174.900 0.298 0.000 1.444 3031 G CA -1.181 43.592 45.100 -0.545 0.000 1.002 3031 G HN 0.038 nan 8.290 nan 0.000 0.649 3032 K N -0.495 120.134 120.400 0.381 0.000 2.485 3032 K HA 0.405 4.727 4.320 0.002 0.000 0.277 3032 K C 0.053 176.986 176.600 0.554 0.000 0.990 3032 K CA -0.042 56.479 56.287 0.391 0.000 0.994 3032 K CB 1.116 33.772 32.500 0.260 0.000 0.906 3032 K HN 0.372 nan 8.250 nan 0.000 0.488 3033 V N 4.029 124.170 119.914 0.379 0.000 2.604 3033 V HA 0.285 4.407 4.120 0.002 0.000 0.305 3033 V C -0.679 175.620 176.094 0.342 0.000 1.043 3033 V CA -1.034 61.477 62.300 0.352 0.000 0.888 3033 V CB 1.838 33.914 31.823 0.421 0.000 0.995 3033 V HN 0.557 nan 8.190 nan 0.000 0.429 3034 L N 3.867 125.242 121.223 0.252 0.000 2.322 3034 L HA 0.892 5.233 4.340 0.002 0.000 0.281 3034 L C 0.251 177.140 176.870 0.033 0.000 1.014 3034 L CA 0.445 55.372 54.840 0.145 0.000 0.815 3034 L CB 1.103 43.190 42.059 0.047 0.000 1.247 3034 L HN 0.802 nan 8.230 nan 0.000 0.421 3035 G N 4.650 113.291 108.800 -0.265 0.000 3.262 3035 G HA2 0.645 4.606 3.960 0.002 0.000 0.229 3035 G HA3 0.645 4.606 3.960 0.002 0.000 0.229 3035 G C -1.373 173.183 174.900 -0.573 0.000 1.280 3035 G CA -0.546 44.119 45.100 -0.725 0.000 0.951 3035 G HN 0.696 nan 8.290 nan 0.000 0.589 3036 K N -1.210 118.813 120.400 -0.629 0.000 2.477 3036 K HA 0.649 4.970 4.320 0.002 0.000 0.255 3036 K C -1.711 174.641 176.600 -0.413 0.000 0.952 3036 K CA -0.833 55.204 56.287 -0.416 0.000 0.826 3036 K CB 2.169 34.526 32.500 -0.239 0.000 1.331 3036 K HN 0.281 nan 8.250 nan 0.000 0.437 3037 F N 1.188 121.071 119.950 -0.111 0.000 2.385 3037 F HA 0.471 4.999 4.527 0.002 0.000 0.336 3037 F C -0.307 175.474 175.800 -0.032 0.000 1.100 3037 F CA -0.684 57.280 58.000 -0.059 0.000 1.116 3037 F CB 1.977 40.961 39.000 -0.026 0.000 1.166 3037 F HN 0.102 nan 8.300 nan 0.000 0.511 3038 V N 2.334 122.390 119.914 0.235 0.000 2.668 3038 V HA 0.264 4.385 4.120 0.002 0.000 0.304 3038 V C -0.821 175.349 176.094 0.127 0.000 1.071 3038 V CA -0.876 61.508 62.300 0.141 0.000 0.894 3038 V CB 1.932 33.820 31.823 0.107 0.000 1.008 3038 V HN 0.727 nan 8.190 nan 0.000 0.425 3039 S N 4.807 120.564 115.700 0.095 0.000 2.480 3039 S HA 0.642 5.113 4.470 0.002 0.000 0.286 3039 S C -0.504 174.145 174.600 0.082 0.000 1.180 3039 S CA -0.398 57.850 58.200 0.080 0.000 1.075 3039 S CB 1.417 64.656 63.200 0.066 0.000 0.996 3039 S HN 0.579 nan 8.310 nan 0.000 0.487 3040 L N 4.291 125.555 121.223 0.069 0.000 2.257 3040 L HA 0.359 4.700 4.340 0.002 0.000 0.290 3040 L C 0.233 177.234 176.870 0.218 0.000 1.044 3040 L CA -0.591 54.297 54.840 0.081 0.000 0.810 3040 L CB 0.384 42.377 42.059 -0.110 0.000 1.193 3040 L HN 0.741 nan 8.230 nan 0.000 0.425 3041 E N 4.184 124.501 120.200 0.195 0.000 2.608 3041 E HA 0.355 4.707 4.350 0.002 0.000 0.259 3041 E C 0.934 177.677 176.600 0.239 0.000 0.951 3041 E CA 0.637 57.147 56.400 0.183 0.000 0.945 3041 E CB 0.094 29.878 29.700 0.140 0.000 0.916 3041 E HN 0.937 nan 8.360 nan 0.000 0.477 3042 G N 2.381 111.253 108.800 0.120 0.000 2.218 3042 G HA2 -0.226 3.735 3.960 0.002 0.000 0.216 3042 G HA3 -0.226 3.735 3.960 0.002 0.000 0.216 3042 G C -0.268 174.450 174.900 -0.304 0.000 0.994 3042 G CA -0.110 44.949 45.100 -0.068 0.000 0.637 3042 G HN 0.423 nan 8.290 nan 0.000 0.505 3043 F N 0.553 120.467 119.950 -0.061 0.000 2.507 3043 F HA 0.799 5.327 4.527 0.001 0.000 0.325 3043 F C 1.144 176.918 175.800 -0.044 0.000 1.116 3043 F CA -0.201 57.756 58.000 -0.072 0.000 0.930 3043 F CB 1.780 40.723 39.000 -0.095 0.000 1.146 3043 F HN 0.128 nan 8.300 nan 0.000 0.447 3044 A N 1.521 124.398 122.820 0.094 0.000 1.824 3044 A HA -0.063 4.258 4.320 0.002 0.000 0.215 3044 A C 0.903 178.516 177.584 0.048 0.000 1.244 3044 A CA 0.592 52.655 52.037 0.043 0.000 0.604 3044 A CB -0.749 18.255 19.000 0.005 0.000 0.900 3044 A HN 0.660 nan 8.150 nan 0.000 0.455 3045 Q N 1.809 121.639 119.800 0.051 0.000 2.362 3045 Q HA 0.094 4.435 4.340 0.002 0.000 0.305 3045 Q C -2.269 173.757 176.000 0.043 0.000 1.120 3045 Q CA -1.363 54.456 55.803 0.027 0.000 1.011 3045 Q CB -0.005 28.765 28.738 0.054 0.000 1.048 3045 Q HN 0.408 nan 8.270 nan 0.000 0.386 3046 P HA 0.040 nan 4.420 nan 0.000 0.275 3046 P C -0.868 176.531 177.300 0.165 0.000 1.228 3046 P CA -0.277 62.848 63.100 0.041 0.000 0.786 3046 P CB 0.900 32.565 31.700 -0.059 0.000 0.927 3047 V N 2.130 122.160 119.914 0.193 0.000 2.546 3047 V HA 0.364 4.486 4.120 0.002 0.000 0.284 3047 V C 0.875 177.150 176.094 0.301 0.000 1.050 3047 V CA -0.482 61.959 62.300 0.235 0.000 0.981 3047 V CB 0.802 32.730 31.823 0.175 0.000 0.990 3047 V HN 0.736 nan 8.190 nan 0.000 0.474 3048 A N 6.688 129.676 122.820 0.279 0.000 2.302 3048 A HA 0.697 5.018 4.320 0.002 0.000 0.295 3048 A C -0.378 177.172 177.584 -0.055 0.000 1.235 3048 A CA -0.288 51.757 52.037 0.012 0.000 0.876 3048 A CB -0.133 18.938 19.000 0.117 0.000 1.133 3048 A HN 0.762 nan 8.150 nan 0.000 0.533 3049 I N 2.787 123.158 120.570 -0.332 0.000 2.362 3049 I HA 0.357 4.529 4.170 0.002 0.000 0.289 3049 I C -1.226 174.537 176.117 -0.590 0.000 0.994 3049 I CA -0.234 60.854 61.300 -0.354 0.000 1.158 3049 I CB 1.288 39.149 38.000 -0.231 0.000 1.315 3049 I HN 0.531 nan 8.210 nan 0.000 0.451 3050 F N 6.788 126.587 119.950 -0.251 0.000 2.426 3050 F HA 0.522 5.050 4.527 0.001 0.000 0.348 3050 F C -0.246 175.408 175.800 -0.243 0.000 1.124 3050 F CA -0.594 57.302 58.000 -0.173 0.000 1.008 3050 F CB 1.269 40.247 39.000 -0.036 0.000 1.139 3050 F HN 0.134 nan 8.300 nan 0.000 0.452 3051 L N 3.097 124.263 121.223 -0.095 0.000 2.319 3051 L HA 0.653 4.994 4.340 0.002 0.000 0.281 3051 L C 0.606 177.423 176.870 -0.089 0.000 1.005 3051 L CA -0.729 54.026 54.840 -0.142 0.000 0.828 3051 L CB 1.523 43.376 42.059 -0.344 0.000 1.227 3051 L HN 0.923 nan 8.230 nan 0.000 0.415 3052 G N 3.434 112.218 108.800 -0.027 0.000 2.140 3052 G HA2 -0.209 3.752 3.960 0.002 0.000 0.211 3052 G HA3 -0.209 3.752 3.960 0.002 0.000 0.211 3052 G C -0.065 174.914 174.900 0.133 0.000 1.013 3052 G CA -0.633 44.445 45.100 -0.035 0.000 0.705 3052 G HN 0.509 nan 8.290 nan 0.000 0.508 3053 I N 2.761 123.381 120.570 0.082 0.000 2.436 3053 I HA 0.197 4.368 4.170 0.002 0.000 0.289 3053 I C -1.321 174.807 176.117 0.019 0.000 1.083 3053 I CA -1.772 59.539 61.300 0.018 0.000 1.372 3053 I CB 0.867 38.790 38.000 -0.128 0.000 1.408 3053 I HN -0.002 nan 8.210 nan 0.000 0.516 3054 P HA 0.021 nan 4.420 nan 0.000 0.276 3054 P C -0.228 176.948 177.300 -0.205 0.000 1.235 3054 P CA -0.008 62.913 63.100 -0.298 0.000 0.772 3054 P CB 0.600 32.150 31.700 -0.250 0.000 0.871 3055 F N 1.357 121.098 119.950 -0.350 0.000 2.682 3055 F HA 0.739 5.267 4.527 0.002 0.000 0.308 3055 F C 0.000 175.787 175.800 -0.023 0.000 1.093 3055 F CA -0.836 57.008 58.000 -0.261 0.000 1.244 3055 F CB 0.221 39.002 39.000 -0.365 0.000 1.052 3055 F HN 0.385 nan 8.300 nan 0.000 0.573 3056 A N 0.689 123.209 122.820 -0.500 0.000 2.610 3056 A HA 0.501 4.822 4.320 0.002 0.000 0.291 3056 A C -1.346 176.030 177.584 -0.346 0.000 1.086 3056 A CA -1.125 50.702 52.037 -0.350 0.000 0.677 3056 A CB 0.910 19.613 19.000 -0.494 0.000 1.278 3056 A HN 0.201 nan 8.150 nan 0.000 0.414 3057 K N 1.072 121.349 120.400 -0.206 0.000 2.322 3057 K HA 0.415 4.736 4.320 0.002 0.000 0.283 3057 K C -2.418 174.059 176.600 -0.205 0.000 1.042 3057 K CA -1.544 54.639 56.287 -0.173 0.000 0.958 3057 K CB 0.299 32.738 32.500 -0.102 0.000 0.984 3057 K HN 0.317 nan 8.250 nan 0.000 0.473 3058 P HA -0.084 nan 4.420 nan 0.000 0.253 3058 P C -2.356 174.855 177.300 -0.149 0.000 1.159 3058 P CA -0.603 62.389 63.100 -0.180 0.000 0.779 3058 P CB 0.109 31.740 31.700 -0.115 0.000 0.745 3059 P HA 0.002 nan 4.420 nan 0.000 0.249 3059 P C -0.370 176.843 177.300 -0.146 0.000 1.686 3059 P CA 0.447 63.455 63.100 -0.153 0.000 0.873 3059 P CB -0.014 31.592 31.700 -0.157 0.000 1.828 3060 L N -0.691 120.461 121.223 -0.118 0.000 2.416 3060 L HA 0.522 4.863 4.340 0.002 0.000 0.262 3060 L C 1.740 178.554 176.870 -0.095 0.000 1.093 3060 L CA -0.080 54.701 54.840 -0.098 0.000 0.801 3060 L CB -0.053 41.961 42.059 -0.074 0.000 1.191 3060 L HN 0.245 nan 8.230 nan 0.000 0.459 3061 G N 1.272 110.023 108.800 -0.082 0.000 2.634 3061 G HA2 -0.288 3.673 3.960 0.002 0.000 0.309 3061 G HA3 -0.288 3.673 3.960 0.002 0.000 0.309 3061 G C -1.340 173.509 174.900 -0.085 0.000 1.265 3061 G CA 0.288 45.346 45.100 -0.070 0.000 0.998 3061 G HN 0.638 nan 8.290 nan 0.000 0.551 3062 P HA 0.031 nan 4.420 nan 0.000 0.225 3062 P C 1.969 179.222 177.300 -0.077 0.000 1.148 3062 P CA 1.202 64.277 63.100 -0.042 0.000 0.779 3062 P CB -0.048 31.646 31.700 -0.010 0.000 0.780 3063 L N -0.953 120.207 121.223 -0.106 0.000 2.552 3063 L HA 0.045 4.386 4.340 0.002 0.000 0.227 3063 L C 1.785 178.514 176.870 -0.234 0.000 1.146 3063 L CA -0.022 54.735 54.840 -0.138 0.000 0.858 3063 L CB -0.394 41.595 42.059 -0.116 0.000 0.969 3063 L HN -0.055 nan 8.230 nan 0.000 0.451 3064 R N 0.366 120.693 120.500 -0.287 0.000 2.543 3064 R HA -0.000 4.341 4.340 0.002 0.000 0.277 3064 R C -0.243 175.690 176.300 -0.611 0.000 1.074 3064 R CA -0.229 55.548 56.100 -0.539 0.000 1.076 3064 R CB 0.274 30.179 30.300 -0.658 0.000 0.993 3064 R HN 0.049 nan 8.270 nan 0.000 0.459 3065 F N 0.141 119.701 119.950 -0.649 0.000 3.071 3065 F HA -0.263 4.265 4.527 0.002 0.000 0.295 3065 F C -0.009 174.789 175.800 -1.670 0.000 0.919 3065 F CA 1.396 58.637 58.000 -1.265 0.000 1.050 3065 F CB -2.491 36.236 39.000 -0.454 0.000 1.040 3065 F HN 0.671 nan 8.300 nan 0.000 0.692 3066 T N -3.581 110.242 114.554 -1.219 0.000 2.868 3066 T HA 0.760 5.111 4.350 0.002 0.000 0.306 3066 T C -3.034 171.502 174.700 -0.272 0.000 1.224 3066 T CA -2.323 59.361 62.100 -0.694 0.000 1.012 3066 T CB 3.309 72.014 68.868 -0.272 0.000 1.221 3066 T HN -0.242 nan 8.240 nan 0.000 0.499 3067 P HA 0.254 nan 4.420 nan 0.000 0.269 3067 P C -2.398 174.958 177.300 0.094 0.000 1.217 3067 P CA -0.883 62.348 63.100 0.219 0.000 0.783 3067 P CB -0.241 31.595 31.700 0.227 0.000 0.898 3068 P HA 0.109 nan 4.420 nan 0.000 0.276 3068 P C -0.848 176.487 177.300 0.059 0.000 1.230 3068 P CA 0.077 63.212 63.100 0.058 0.000 0.776 3068 P CB 0.850 32.611 31.700 0.102 0.000 0.888 3069 Q N 3.118 122.925 119.800 0.012 0.000 2.257 3069 Q HA 0.440 4.781 4.340 0.002 0.000 0.262 3069 Q C -2.265 173.752 176.000 0.029 0.000 0.997 3069 Q CA -2.183 53.636 55.803 0.027 0.000 0.873 3069 Q CB 0.667 29.405 28.738 0.001 0.000 1.312 3069 Q HN 0.359 nan 8.270 nan 0.000 0.450 3070 P HA -0.061 nan 4.420 nan 0.000 0.268 3070 P C -1.196 176.093 177.300 -0.018 0.000 1.208 3070 P CA 0.253 63.413 63.100 0.100 0.000 0.777 3070 P CB 0.465 32.252 31.700 0.144 0.000 0.875 3071 A N 2.365 125.136 122.820 -0.082 0.000 2.332 3071 A HA 0.234 4.555 4.320 0.002 0.000 0.258 3071 A C 0.255 177.607 177.584 -0.387 0.000 1.087 3071 A CA -0.316 51.603 52.037 -0.196 0.000 0.802 3071 A CB 0.030 18.982 19.000 -0.080 0.000 1.042 3071 A HN 0.436 nan 8.150 nan 0.000 0.489 3072 E N 0.990 121.086 120.200 -0.173 0.000 2.331 3072 E HA 0.335 4.686 4.350 0.002 0.000 0.272 3072 E C -2.356 174.173 176.600 -0.118 0.000 1.036 3072 E CA -1.690 54.633 56.400 -0.128 0.000 0.864 3072 E CB 0.197 29.889 29.700 -0.014 0.000 1.035 3072 E HN 0.334 nan 8.360 nan 0.000 0.408 3073 P HA 0.065 nan 4.420 nan 0.000 0.271 3073 P C -0.813 176.455 177.300 -0.053 0.000 1.218 3073 P CA -0.139 62.805 63.100 -0.260 0.000 0.780 3073 P CB 0.246 31.841 31.700 -0.174 0.000 0.901 3074 W N 0.734 122.064 121.300 0.050 0.000 2.512 3074 W HA 0.569 5.230 4.660 0.001 0.000 0.335 3074 W C 0.687 177.199 176.519 -0.012 0.000 1.088 3074 W CA -0.571 56.801 57.345 0.044 0.000 1.236 3074 W CB -0.251 29.262 29.460 0.088 0.000 1.307 3074 W HN 0.154 nan 8.180 nan 0.000 0.567 3075 S N 0.723 116.507 115.700 0.139 0.000 2.436 3075 S HA 0.037 4.508 4.470 0.002 0.000 0.228 3075 S C 0.327 174.606 174.600 -0.535 0.000 1.014 3075 S CA 0.776 58.819 58.200 -0.262 0.000 0.950 3075 S CB -0.314 62.650 63.200 -0.393 0.000 0.784 3075 S HN 0.446 nan 8.310 nan 0.000 0.504 3076 F N -0.449 119.647 119.950 0.242 0.000 3.248 3076 F HA 0.481 5.008 4.527 0.001 0.000 0.244 3076 F C -0.024 175.950 175.800 0.290 0.000 1.581 3076 F CA -1.086 57.034 58.000 0.201 0.000 0.959 3076 F CB -0.156 38.920 39.000 0.126 0.000 1.844 3076 F HN -0.360 nan 8.300 nan 0.000 0.343 3077 V N 1.455 121.630 119.914 0.434 0.000 2.383 3077 V HA 0.254 4.375 4.120 0.002 0.000 0.275 3077 V C -0.276 175.911 176.094 0.155 0.000 1.036 3077 V CA -0.879 61.593 62.300 0.287 0.000 0.889 3077 V CB 0.938 32.878 31.823 0.195 0.000 0.985 3077 V HN 0.408 nan 8.190 nan 0.000 0.459 3078 K N 4.214 124.628 120.400 0.024 0.000 2.227 3078 K HA 0.312 4.634 4.320 0.002 0.000 0.280 3078 K C -0.230 176.309 176.600 -0.102 0.000 1.041 3078 K CA -0.587 55.564 56.287 -0.226 0.000 0.905 3078 K CB 0.522 32.512 32.500 -0.849 0.000 1.068 3078 K HN 0.591 nan 8.250 nan 0.000 0.470 3079 N N 2.907 121.550 118.700 -0.095 0.000 2.448 3079 N HA 0.114 4.856 4.740 0.002 0.000 0.250 3079 N C -0.771 174.690 175.510 -0.083 0.000 1.136 3079 N CA -0.063 52.947 53.050 -0.067 0.000 0.953 3079 N CB 1.429 39.873 38.487 -0.071 0.000 1.251 3079 N HN 0.575 nan 8.380 nan 0.000 0.502 3080 A N 1.695 124.499 122.820 -0.027 0.000 3.118 3080 A HA 0.203 4.524 4.320 0.002 0.000 0.256 3080 A C 0.788 178.307 177.584 -0.108 0.000 1.667 3080 A CA -0.410 51.613 52.037 -0.023 0.000 1.338 3080 A CB -0.766 18.327 19.000 0.154 0.000 1.127 3080 A HN 0.511 nan 8.150 nan 0.000 0.634 3081 T N -3.053 111.410 114.554 -0.153 0.000 3.200 3081 T HA 0.377 4.729 4.350 0.002 0.000 0.284 3081 T C 0.113 174.672 174.700 -0.235 0.000 1.009 3081 T CA -0.122 61.854 62.100 -0.207 0.000 0.907 3081 T CB 0.016 68.781 68.868 -0.172 0.000 1.120 3081 T HN 0.200 nan 8.240 nan 0.000 0.534 3082 S N 0.997 116.558 115.700 -0.231 0.000 2.614 3082 S HA 0.507 4.979 4.470 0.002 0.000 0.288 3082 S C -1.224 173.257 174.600 -0.197 0.000 1.137 3082 S CA -0.794 57.278 58.200 -0.213 0.000 0.992 3082 S CB 0.754 63.869 63.200 -0.141 0.000 1.026 3082 S HN 0.318 nan 8.310 nan 0.000 0.486 3083 Y N 4.280 124.517 120.300 -0.106 0.000 2.802 3083 Y HA 0.077 4.628 4.550 0.003 0.000 0.333 3083 Y C -1.420 174.377 175.900 -0.173 0.000 1.244 3083 Y CA -0.944 57.092 58.100 -0.107 0.000 1.558 3083 Y CB -0.292 38.125 38.460 -0.073 0.000 1.233 3083 Y HN 0.390 nan 8.280 nan 0.000 0.547 3084 P HA 0.135 nan 4.420 nan 0.000 0.272 3084 P C -2.604 174.595 177.300 -0.168 0.000 1.230 3084 P CA -1.422 61.493 63.100 -0.307 0.000 0.788 3084 P CB 0.658 32.093 31.700 -0.443 0.000 0.949 3085 P HA 0.153 nan 4.420 nan 0.000 0.271 3085 P C -0.132 177.119 177.300 -0.081 0.000 1.244 3085 P CA 0.151 63.178 63.100 -0.122 0.000 0.793 3085 P CB 0.193 31.820 31.700 -0.121 0.000 0.984 3086 M N -0.670 118.872 119.600 -0.096 0.000 2.472 3086 M HA 0.495 4.976 4.480 0.002 0.000 0.331 3086 M C -0.894 175.326 176.300 -0.134 0.000 1.170 3086 M CA -0.776 54.465 55.300 -0.098 0.000 1.009 3086 M CB 0.906 33.432 32.600 -0.123 0.000 1.672 3086 M HN 0.098 nan 8.290 nan 0.000 0.453 3087 c N 2.100 120.618 118.600 -0.136 0.000 2.563 3087 c HA 0.092 4.663 4.570 0.002 0.000 0.411 3087 c C 0.954 174.862 174.090 -0.304 0.000 1.386 3087 c CA -0.080 56.117 56.329 -0.220 0.000 1.703 3087 c CB -0.760 41.648 42.510 -0.170 0.000 2.596 3087 c HN 0.881 nan 8.230 nan 0.000 0.605 3088 T N 4.704 118.932 114.554 -0.542 0.000 2.830 3088 T HA 0.192 4.543 4.350 0.002 0.000 0.282 3088 T C 0.081 174.557 174.700 -0.372 0.000 1.024 3088 T CA 0.712 62.424 62.100 -0.646 0.000 1.144 3088 T CB -0.211 67.798 68.868 -1.433 0.000 1.035 3088 T HN 0.912 nan 8.240 nan 0.000 0.507 3089 Q N 0.924 120.643 119.800 -0.134 0.000 2.841 3089 Q HA 0.338 4.680 4.340 0.002 0.000 0.309 3089 Q C -1.633 174.400 176.000 0.055 0.000 0.868 3089 Q CA -1.190 54.635 55.803 0.037 0.000 0.760 3089 Q CB 0.792 29.535 28.738 0.008 0.000 1.454 3089 Q HN 0.365 nan 8.270 nan 0.000 0.449 3090 D N 2.169 122.624 120.400 0.091 0.000 2.389 3090 D HA 0.053 4.694 4.640 0.002 0.000 0.263 3090 D C -1.262 175.052 176.300 0.023 0.000 1.255 3090 D CA -1.478 52.566 54.000 0.073 0.000 0.914 3090 D CB 1.078 41.927 40.800 0.083 0.000 1.116 3090 D HN 0.313 nan 8.370 nan 0.000 0.502 3091 P HA -0.202 nan 4.420 nan 0.000 0.215 3091 P C 1.301 178.590 177.300 -0.018 0.000 1.153 3091 P CA 1.128 64.219 63.100 -0.015 0.000 0.853 3091 P CB 0.512 32.203 31.700 -0.014 0.000 0.788 3092 K N -0.074 120.323 120.400 -0.006 0.000 1.969 3092 K HA -0.109 4.212 4.320 0.002 0.000 0.216 3092 K C 2.413 179.002 176.600 -0.019 0.000 1.048 3092 K CA 1.698 57.979 56.287 -0.010 0.000 0.948 3092 K CB -0.783 31.717 32.500 -0.000 0.000 0.726 3092 K HN -0.036 nan 8.250 nan 0.000 0.442 3093 A N 0.879 123.693 122.820 -0.009 0.000 1.917 3093 A HA -0.168 4.153 4.320 0.002 0.000 0.219 3093 A C 2.315 179.874 177.584 -0.041 0.000 1.182 3093 A CA 2.285 54.311 52.037 -0.019 0.000 0.633 3093 A CB -1.330 17.675 19.000 0.009 0.000 0.819 3093 A HN 0.563 nan 8.150 nan 0.000 0.448 3094 G N -1.124 107.656 108.800 -0.034 0.000 2.433 3094 G HA2 -0.294 3.668 3.960 0.002 0.000 0.216 3094 G HA3 -0.294 3.668 3.960 0.002 0.000 0.216 3094 G C 1.649 176.500 174.900 -0.082 0.000 1.186 3094 G CA 1.146 46.212 45.100 -0.058 0.000 0.779 3094 G HN 0.632 nan 8.290 nan 0.000 0.543 3095 Q N -0.547 119.211 119.800 -0.071 0.000 2.119 3095 Q HA -0.062 4.279 4.340 0.002 0.000 0.201 3095 Q C 2.441 178.395 176.000 -0.077 0.000 0.972 3095 Q CA 1.136 56.893 55.803 -0.077 0.000 0.847 3095 Q CB -0.240 28.461 28.738 -0.061 0.000 0.903 3095 Q HN 0.375 nan 8.270 nan 0.000 0.433 3096 L N 0.596 121.779 121.223 -0.066 0.000 1.990 3096 L HA -0.201 4.140 4.340 0.002 0.000 0.213 3096 L C 2.093 178.899 176.870 -0.107 0.000 1.072 3096 L CA 1.779 56.581 54.840 -0.064 0.000 0.755 3096 L CB -0.957 41.068 42.059 -0.056 0.000 0.889 3096 L HN 0.414 nan 8.230 nan 0.000 0.432 3097 L N -0.948 120.179 121.223 -0.159 0.000 2.046 3097 L HA -0.160 4.181 4.340 0.002 0.000 0.208 3097 L C 2.733 179.448 176.870 -0.258 0.000 1.077 3097 L CA 2.040 56.706 54.840 -0.291 0.000 0.747 3097 L CB -0.883 41.009 42.059 -0.279 0.000 0.896 3097 L HN 0.494 nan 8.230 nan 0.000 0.432 3098 S N -0.803 114.796 115.700 -0.169 0.000 2.383 3098 S HA -0.227 4.245 4.470 0.002 0.000 0.229 3098 S C 1.831 176.351 174.600 -0.134 0.000 1.030 3098 S CA 1.718 59.821 58.200 -0.162 0.000 1.002 3098 S CB -0.304 62.803 63.200 -0.155 0.000 0.829 3098 S HN 0.668 nan 8.310 nan 0.000 0.467 3099 E N 0.190 120.337 120.200 -0.090 0.000 2.158 3099 E HA 0.044 4.395 4.350 0.002 0.000 0.191 3099 E C 1.948 178.569 176.600 0.036 0.000 0.982 3099 E CA 0.786 57.165 56.400 -0.035 0.000 0.823 3099 E CB -0.125 29.565 29.700 -0.018 0.000 0.766 3099 E HN 0.477 nan 8.360 nan 0.000 0.468 3100 L N -0.210 121.031 121.223 0.031 0.000 2.418 3100 L HA -0.016 4.325 4.340 0.002 0.000 0.218 3100 L C 1.522 178.629 176.870 0.395 0.000 1.125 3100 L CA 0.347 55.289 54.840 0.170 0.000 0.835 3100 L CB 0.140 42.243 42.059 0.072 0.000 0.953 3100 L HN 0.120 nan 8.230 nan 0.000 0.454 3101 F N -1.169 118.741 119.950 -0.067 0.000 2.653 3101 F HA 0.149 4.677 4.527 0.002 0.000 0.288 3101 F C 1.672 177.143 175.800 -0.548 0.000 1.121 3101 F CA -0.403 57.418 58.000 -0.297 0.000 1.384 3101 F CB -0.610 38.211 39.000 -0.299 0.000 1.115 3101 F HN -0.199 nan 8.300 nan 0.000 0.599 3102 T N 2.444 116.856 114.554 -0.237 0.000 2.939 3102 T HA -0.092 4.260 4.350 0.002 0.000 0.312 3102 T C 1.222 175.756 174.700 -0.277 0.000 1.064 3102 T CA 0.405 62.291 62.100 -0.356 0.000 1.136 3102 T CB 0.242 68.977 68.868 -0.222 0.000 1.035 3102 T HN 0.406 nan 8.240 nan 0.000 0.538 3103 N N 3.881 122.366 118.700 -0.358 0.000 2.205 3103 N HA 0.029 4.770 4.740 0.002 0.000 0.201 3103 N C 0.470 175.868 175.510 -0.186 0.000 1.128 3103 N CA -0.411 52.481 53.050 -0.263 0.000 0.867 3103 N CB 0.080 38.380 38.487 -0.312 0.000 0.996 3103 N HN 0.750 nan 8.380 nan 0.000 0.503 3104 R N 1.031 121.435 120.500 -0.161 0.000 2.546 3104 R HA 0.308 4.649 4.340 0.002 0.000 0.266 3104 R C 1.119 177.383 176.300 -0.061 0.000 1.086 3104 R CA -0.676 55.368 56.100 -0.093 0.000 1.160 3104 R CB 1.020 31.276 30.300 -0.075 0.000 1.138 3104 R HN -0.085 nan 8.270 nan 0.000 0.567 3105 K N 0.577 120.963 120.400 -0.024 0.000 1.971 3105 K HA -0.234 4.087 4.320 0.002 0.000 0.221 3105 K C 0.048 176.646 176.600 -0.003 0.000 1.050 3105 K CA 1.721 58.007 56.287 -0.000 0.000 0.967 3105 K CB -0.529 31.982 32.500 0.019 0.000 0.733 3105 K HN 0.787 nan 8.250 nan 0.000 0.445 3106 E N 1.301 121.497 120.200 -0.006 0.000 2.231 3106 E HA 0.117 4.468 4.350 0.002 0.000 0.277 3106 E C -0.879 175.695 176.600 -0.043 0.000 0.999 3106 E CA -0.982 55.410 56.400 -0.013 0.000 0.827 3106 E CB 0.958 30.656 29.700 -0.002 0.000 1.101 3106 E HN 0.246 nan 8.360 nan 0.000 0.393 3107 N N 3.810 122.479 118.700 -0.051 0.000 2.458 3107 N HA 0.061 4.802 4.740 0.002 0.000 0.270 3107 N C -0.547 174.900 175.510 -0.105 0.000 1.102 3107 N CA -0.529 52.468 53.050 -0.089 0.000 0.967 3107 N CB 0.530 38.973 38.487 -0.074 0.000 1.078 3107 N HN 0.484 nan 8.380 nan 0.000 0.471 3108 I N 5.814 126.281 120.570 -0.173 0.000 2.379 3108 I HA 0.172 4.343 4.170 0.002 0.000 0.290 3108 I C -1.782 174.227 176.117 -0.179 0.000 1.063 3108 I CA -2.243 58.934 61.300 -0.204 0.000 1.351 3108 I CB 0.337 38.068 38.000 -0.448 0.000 1.410 3108 I HN 0.343 nan 8.210 nan 0.000 0.505 3109 P HA 0.229 nan 4.420 nan 0.000 0.270 3109 P C -0.594 176.647 177.300 -0.098 0.000 1.242 3109 P CA -0.068 62.978 63.100 -0.091 0.000 0.768 3109 P CB 0.792 32.458 31.700 -0.057 0.000 0.820 3110 L N 2.958 124.115 121.223 -0.111 0.000 2.387 3110 L HA 0.494 4.835 4.340 0.002 0.000 0.266 3110 L C 0.909 177.728 176.870 -0.086 0.000 1.059 3110 L CA -1.016 53.760 54.840 -0.107 0.000 0.801 3110 L CB 0.735 42.716 42.059 -0.130 0.000 1.223 3110 L HN 0.187 nan 8.230 nan 0.000 0.456 3111 K N 0.895 121.245 120.400 -0.084 0.000 2.123 3111 K HA 0.633 4.954 4.320 0.002 0.000 0.248 3111 K C -1.127 175.414 176.600 -0.099 0.000 0.969 3111 K CA -0.305 55.933 56.287 -0.082 0.000 0.882 3111 K CB 1.243 33.696 32.500 -0.078 0.000 1.080 3111 K HN 0.360 nan 8.250 nan 0.000 0.441 3112 L N 1.473 122.635 121.223 -0.101 0.000 2.307 3112 L HA 0.578 4.919 4.340 0.002 0.000 0.284 3112 L C -0.397 176.384 176.870 -0.148 0.000 1.023 3112 L CA -0.548 54.212 54.840 -0.133 0.000 0.810 3112 L CB 1.767 43.749 42.059 -0.129 0.000 1.231 3112 L HN 0.588 nan 8.230 nan 0.000 0.423 3113 S N 1.003 116.588 115.700 -0.191 0.000 2.558 3113 S HA 0.192 4.663 4.470 0.002 0.000 0.277 3113 S C 0.212 174.655 174.600 -0.260 0.000 1.143 3113 S CA -0.624 57.462 58.200 -0.189 0.000 0.865 3113 S CB 1.502 64.632 63.200 -0.118 0.000 1.102 3113 S HN 0.760 nan 8.310 nan 0.000 0.454 3114 E N 1.139 121.167 120.200 -0.286 0.000 2.268 3114 E HA -0.093 4.258 4.350 0.002 0.000 0.195 3114 E C -0.194 176.289 176.600 -0.195 0.000 0.995 3114 E CA 0.679 56.874 56.400 -0.342 0.000 0.836 3114 E CB 0.020 29.567 29.700 -0.254 0.000 0.763 3114 E HN 0.558 nan 8.360 nan 0.000 0.491 3115 D N 0.438 120.771 120.400 -0.113 0.000 2.508 3115 D HA -0.006 4.635 4.640 0.002 0.000 0.224 3115 D C 0.133 176.503 176.300 0.117 0.000 1.171 3115 D CA -0.265 53.724 54.000 -0.019 0.000 1.006 3115 D CB -0.083 40.728 40.800 0.019 0.000 1.073 3115 D HN 0.174 nan 8.370 nan 0.000 0.513 3116 c N 1.965 120.595 118.600 0.051 0.000 3.785 3116 c HA 0.365 4.936 4.570 0.002 0.000 0.312 3116 c C 0.941 175.108 174.090 0.127 0.000 1.566 3116 c CA -0.655 55.774 56.329 0.166 0.000 1.837 3116 c CB -1.286 41.225 42.510 0.001 0.000 2.826 3116 c HN 0.422 nan 8.230 nan 0.000 0.667 3117 L N 2.539 123.601 121.223 -0.268 0.000 2.388 3117 L HA 0.279 4.620 4.340 0.002 0.000 0.252 3117 L C -0.669 175.667 176.870 -0.891 0.000 1.357 3117 L CA 0.701 55.181 54.840 -0.600 0.000 1.214 3117 L CB -0.950 40.560 42.059 -0.915 0.000 1.392 3117 L HN 0.416 nan 8.230 nan 0.000 0.432 3118 Y N 1.551 121.845 120.300 -0.009 0.000 2.662 3118 Y HA 0.729 5.280 4.550 0.002 0.000 0.335 3118 Y C -0.113 175.947 175.900 0.267 0.000 1.066 3118 Y CA -1.322 56.832 58.100 0.090 0.000 1.116 3118 Y CB 1.781 40.239 38.460 -0.004 0.000 1.308 3118 Y HN 0.127 nan 8.280 nan 0.000 0.502 3119 L N -0.380 121.004 121.223 0.268 0.000 2.465 3119 L HA 0.733 5.074 4.340 0.002 0.000 0.257 3119 L C -1.621 175.272 176.870 0.039 0.000 0.988 3119 L CA -1.103 53.804 54.840 0.111 0.000 0.827 3119 L CB 1.854 43.861 42.059 -0.086 0.000 1.397 3119 L HN 0.393 nan 8.230 nan 0.000 0.410 3120 N N 2.025 120.773 118.700 0.080 0.000 2.361 3120 N HA 0.736 5.478 4.740 0.002 0.000 0.302 3120 N C -1.127 174.368 175.510 -0.025 0.000 1.074 3120 N CA -0.222 52.839 53.050 0.018 0.000 0.850 3120 N CB 2.461 41.014 38.487 0.111 0.000 1.228 3120 N HN 0.702 nan 8.380 nan 0.000 0.491 3121 I N 1.647 122.124 120.570 -0.155 0.000 2.509 3121 I HA 0.334 4.505 4.170 0.002 0.000 0.293 3121 I C -1.065 174.944 176.117 -0.181 0.000 1.020 3121 I CA -0.787 60.462 61.300 -0.085 0.000 1.088 3121 I CB 1.325 39.191 38.000 -0.224 0.000 1.267 3121 I HN 0.345 nan 8.210 nan 0.000 0.430 3122 Y N 3.108 123.531 120.300 0.206 0.000 2.426 3122 Y HA 0.335 4.886 4.550 0.002 0.000 0.325 3122 Y C 0.237 176.263 175.900 0.209 0.000 0.989 3122 Y CA -0.660 57.563 58.100 0.204 0.000 1.284 3122 Y CB 1.939 40.499 38.460 0.166 0.000 1.104 3122 Y HN 0.364 nan 8.280 nan 0.000 0.481 3123 T N 5.102 119.868 114.554 0.352 0.000 2.770 3123 T HA 0.332 4.683 4.350 0.002 0.000 0.283 3123 T C -2.050 172.811 174.700 0.267 0.000 0.988 3123 T CA -2.308 59.979 62.100 0.312 0.000 0.957 3123 T CB 1.236 70.327 68.868 0.372 0.000 0.930 3123 T HN 0.345 nan 8.240 nan 0.000 0.443 3124 P HA 0.261 nan 4.420 nan 0.000 0.251 3124 P C 0.280 177.673 177.300 0.154 0.000 1.223 3124 P CA -0.129 63.062 63.100 0.152 0.000 0.796 3124 P CB 0.133 31.887 31.700 0.090 0.000 1.068 3125 A N 1.139 124.061 122.820 0.170 0.000 2.462 3125 A HA 0.107 4.429 4.320 0.002 0.000 0.243 3125 A C 0.060 177.742 177.584 0.164 0.000 1.076 3125 A CA -0.020 52.106 52.037 0.148 0.000 0.773 3125 A CB -0.465 18.621 19.000 0.144 0.000 1.010 3125 A HN -0.033 nan 8.150 nan 0.000 0.493 3126 D N 2.404 122.878 120.400 0.123 0.000 2.383 3126 D HA 0.208 4.849 4.640 0.002 0.000 0.245 3126 D C 1.028 177.403 176.300 0.125 0.000 1.263 3126 D CA 0.009 54.081 54.000 0.120 0.000 0.936 3126 D CB -0.215 40.628 40.800 0.071 0.000 1.053 3126 D HN 0.439 nan 8.370 nan 0.000 0.507 3127 L N 2.548 123.876 121.223 0.175 0.000 2.270 3127 L HA -0.223 4.118 4.340 0.002 0.000 0.217 3127 L C 2.488 179.417 176.870 0.097 0.000 1.107 3127 L CA 1.600 56.525 54.840 0.142 0.000 0.772 3127 L CB -0.844 41.326 42.059 0.185 0.000 0.902 3127 L HN 0.539 nan 8.230 nan 0.000 0.439 3128 T N -2.881 111.734 114.554 0.102 0.000 2.962 3128 T HA -0.090 4.261 4.350 0.002 0.000 0.270 3128 T C 0.811 175.539 174.700 0.046 0.000 1.088 3128 T CA 0.659 62.801 62.100 0.070 0.000 1.127 3128 T CB -0.040 68.866 68.868 0.063 0.000 0.883 3128 T HN 0.285 nan 8.240 nan 0.000 0.493 3129 K N 0.653 121.082 120.400 0.047 0.000 2.340 3129 K HA 0.427 4.748 4.320 0.002 0.000 0.244 3129 K C -0.818 175.801 176.600 0.032 0.000 0.973 3129 K CA -1.064 55.243 56.287 0.033 0.000 0.828 3129 K CB 1.957 34.475 32.500 0.031 0.000 1.226 3129 K HN -0.013 nan 8.250 nan 0.000 0.437 3130 K N 2.500 122.912 120.400 0.020 0.000 2.382 3130 K HA 0.032 4.353 4.320 0.002 0.000 0.286 3130 K C -0.895 175.720 176.600 0.024 0.000 1.062 3130 K CA 0.282 56.579 56.287 0.016 0.000 1.000 3130 K CB 0.143 32.647 32.500 0.006 0.000 0.954 3130 K HN 0.466 nan 8.250 nan 0.000 0.470 3131 N N 3.747 122.467 118.700 0.034 0.000 2.240 3131 N HA 0.354 5.096 4.740 0.002 0.000 0.302 3131 N C -1.005 174.530 175.510 0.042 0.000 1.106 3131 N CA -0.738 52.337 53.050 0.043 0.000 0.778 3131 N CB 1.728 40.254 38.487 0.064 0.000 1.431 3131 N HN 0.447 nan 8.380 nan 0.000 0.479 3132 R N 1.985 122.505 120.500 0.035 0.000 2.653 3132 R HA 0.359 4.701 4.340 0.002 0.000 0.269 3132 R C -0.378 175.939 176.300 0.027 0.000 1.603 3132 R CA -0.308 55.809 56.100 0.028 0.000 1.671 3132 R CB 0.261 30.565 30.300 0.007 0.000 1.300 3132 R HN 0.514 nan 8.270 nan 0.000 0.668 3133 L N 2.184 123.436 121.223 0.049 0.000 2.466 3133 L HA 0.413 4.754 4.340 0.002 0.000 0.257 3133 L C -1.608 175.286 176.870 0.040 0.000 1.189 3133 L CA -1.831 53.036 54.840 0.046 0.000 0.813 3133 L CB 0.203 42.304 42.059 0.069 0.000 1.118 3133 L HN -0.005 nan 8.230 nan 0.000 0.471 3134 P HA 0.079 nan 4.420 nan 0.000 0.271 3134 P C -0.892 176.441 177.300 0.055 0.000 1.218 3134 P CA -0.129 62.980 63.100 0.015 0.000 0.780 3134 P CB 1.105 32.800 31.700 -0.009 0.000 0.901 3135 V N 4.332 124.289 119.914 0.071 0.000 2.483 3135 V HA 0.415 4.536 4.120 0.002 0.000 0.295 3135 V C 0.588 176.765 176.094 0.138 0.000 1.035 3135 V CA -0.420 61.954 62.300 0.123 0.000 0.896 3135 V CB 1.254 33.164 31.823 0.145 0.000 0.986 3135 V HN 0.492 nan 8.190 nan 0.000 0.447 3136 M N 4.467 124.180 119.600 0.188 0.000 2.093 3136 M HA 0.454 4.935 4.480 0.002 0.000 0.297 3136 M C -1.179 175.427 176.300 0.511 0.000 0.938 3136 M CA -0.535 54.914 55.300 0.250 0.000 0.920 3136 M CB 1.939 34.572 32.600 0.055 0.000 1.517 3136 M HN 0.367 nan 8.290 nan 0.000 0.427 3137 V N 3.321 123.528 119.914 0.490 0.000 2.406 3137 V HA 0.282 4.404 4.120 0.002 0.000 0.272 3137 V C -0.562 175.788 176.094 0.427 0.000 1.043 3137 V CA -0.465 62.072 62.300 0.396 0.000 0.915 3137 V CB 1.030 32.973 31.823 0.201 0.000 0.988 3137 V HN 0.841 nan 8.190 nan 0.000 0.466 3138 W N 6.968 128.299 121.300 0.052 0.000 2.391 3138 W HA 0.597 5.258 4.660 0.002 0.000 0.311 3138 W C -1.249 175.126 176.519 -0.240 0.000 1.087 3138 W CA -0.970 56.153 57.345 -0.371 0.000 1.209 3138 W CB 1.325 30.554 29.460 -0.384 0.000 1.273 3138 W HN 0.435 nan 8.180 nan 0.000 0.482 3139 I N 7.404 127.290 120.570 -1.141 0.000 2.330 3139 I HA 0.022 4.194 4.170 0.002 0.000 0.286 3139 I C 0.504 175.843 176.117 -1.296 0.000 1.025 3139 I CA -0.799 59.963 61.300 -0.897 0.000 1.197 3139 I CB 0.683 38.298 38.000 -0.641 0.000 1.358 3139 I HN 0.462 nan 8.210 nan 0.000 0.467 3140 H N 4.604 123.232 119.070 -0.736 0.000 2.836 3140 H HA 0.520 5.077 4.556 0.002 0.000 0.368 3140 H C 0.345 175.630 175.328 -0.071 0.000 1.164 3140 H CA -0.353 55.455 56.048 -0.401 0.000 1.425 3140 H CB 0.501 30.300 29.762 0.063 0.000 1.414 3140 H HN 0.545 nan 8.280 nan 0.000 0.614 3141 G N -1.502 107.497 108.800 0.331 0.000 2.753 3141 G HA2 0.510 4.471 3.960 0.002 0.000 0.285 3141 G HA3 0.510 4.471 3.960 0.002 0.000 0.285 3141 G C 0.206 175.406 174.900 0.500 0.000 1.344 3141 G CA -1.082 44.221 45.100 0.340 0.000 1.050 3141 G HN 1.469 nan 8.290 nan 0.000 0.532 3142 G N -2.596 106.416 108.800 0.353 0.000 2.334 3142 G HA2 0.419 4.381 3.960 0.002 0.000 0.222 3142 G HA3 0.419 4.381 3.960 0.002 0.000 0.222 3142 G C 0.992 175.997 174.900 0.175 0.000 1.077 3142 G CA 0.711 45.965 45.100 0.257 0.000 0.861 3142 G HN 2.278 nan 8.290 nan 0.000 0.508 3143 G N 0.009 108.903 108.800 0.157 0.000 2.269 3143 G HA2 -0.204 3.757 3.960 0.002 0.000 0.277 3143 G HA3 -0.204 3.757 3.960 0.002 0.000 0.277 3143 G C 1.227 176.123 174.900 -0.007 0.000 1.008 3143 G CA 0.875 46.016 45.100 0.068 0.000 0.774 3143 G HN 1.777 nan 8.290 nan 0.000 0.511 3144 L N -3.762 117.495 121.223 0.056 0.000 4.884 3144 L HA -0.287 4.054 4.340 0.002 0.000 0.430 3144 L C 2.065 178.996 176.870 0.103 0.000 1.087 3144 L CA 1.658 56.528 54.840 0.050 0.000 1.033 3144 L CB -1.374 40.433 42.059 -0.420 0.000 2.030 3144 L HN 0.418 nan 8.230 nan 0.000 0.762 3145 M N -1.271 118.377 119.600 0.079 0.000 2.653 3145 M HA 0.316 4.797 4.480 0.002 0.000 0.259 3145 M C 0.871 177.239 176.300 0.113 0.000 1.244 3145 M CA 1.325 56.675 55.300 0.085 0.000 1.163 3145 M CB 0.301 32.925 32.600 0.041 0.000 1.309 3145 M HN 0.261 nan 8.290 nan 0.000 0.509 3146 V N -3.081 116.895 119.914 0.102 0.000 3.165 3146 V HA 1.049 5.170 4.120 0.002 0.000 0.309 3146 V C -0.248 175.881 176.094 0.058 0.000 1.267 3146 V CA -0.228 62.106 62.300 0.056 0.000 1.067 3146 V CB 1.273 33.114 31.823 0.031 0.000 1.082 3146 V HN 0.506 nan 8.190 nan 0.000 0.451 3147 G N -0.946 107.808 108.800 -0.078 0.000 2.381 3147 G HA2 0.633 4.594 3.960 0.002 0.000 0.672 3147 G HA3 0.633 4.594 3.960 0.002 0.000 0.672 3147 G C -0.649 173.879 174.900 -0.621 0.000 1.324 3147 G CA -0.168 44.740 45.100 -0.319 0.000 0.975 3147 G HN 2.766 nan 8.290 nan 0.000 0.593 3148 A N -1.390 120.904 122.820 -0.876 0.000 2.597 3148 A HA 1.015 5.336 4.320 0.002 0.000 0.292 3148 A C 0.646 178.147 177.584 -0.138 0.000 1.057 3148 A CA 0.780 52.554 52.037 -0.438 0.000 0.674 3148 A CB 0.734 19.612 19.000 -0.204 0.000 1.278 3148 A HN 2.552 nan 8.150 nan 0.000 0.416 3149 A N 0.296 123.191 122.820 0.125 0.000 1.930 3149 A HA 0.186 4.507 4.320 0.002 0.000 0.215 3149 A C 1.943 179.694 177.584 0.279 0.000 1.176 3149 A CA 2.134 54.364 52.037 0.322 0.000 0.632 3149 A CB -0.743 18.452 19.000 0.326 0.000 0.819 3149 A HN 1.276 nan 8.150 nan 0.000 0.445 3150 S N 0.089 115.870 115.700 0.135 0.000 2.465 3150 S HA -0.133 4.338 4.470 0.002 0.000 0.241 3150 S C 1.820 176.346 174.600 -0.122 0.000 1.000 3150 S CA 1.593 59.806 58.200 0.022 0.000 0.964 3150 S CB -0.545 62.539 63.200 -0.193 0.000 0.763 3150 S HN 0.672 nan 8.310 nan 0.000 0.512 3151 T N 0.882 115.371 114.554 -0.109 0.000 2.788 3151 T HA -0.072 4.280 4.350 0.002 0.000 0.268 3151 T C -0.005 174.381 174.700 -0.523 0.000 1.044 3151 T CA 1.071 62.974 62.100 -0.329 0.000 1.139 3151 T CB -0.278 68.346 68.868 -0.408 0.000 0.867 3151 T HN 0.415 nan 8.240 nan 0.000 0.454 3152 Y N 1.903 122.016 120.300 -0.311 0.000 2.404 3152 Y HA 0.440 4.991 4.550 0.002 0.000 0.344 3152 Y C 0.127 175.744 175.900 -0.473 0.000 0.970 3152 Y CA -2.210 55.490 58.100 -0.667 0.000 1.180 3152 Y CB 0.252 38.004 38.460 -1.180 0.000 1.138 3152 Y HN -0.065 nan 8.280 nan 0.000 0.510 3153 D N 2.030 122.224 120.400 -0.342 0.000 2.277 3153 D HA 0.229 4.870 4.640 0.002 0.000 0.249 3153 D C 0.926 176.968 176.300 -0.430 0.000 1.134 3153 D CA -0.147 53.681 54.000 -0.286 0.000 0.863 3153 D CB 1.722 42.436 40.800 -0.143 0.000 1.143 3153 D HN 0.812 nan 8.370 nan 0.000 0.458 3154 G N 2.985 111.116 108.800 -1.115 0.000 3.088 3154 G HA2 -0.088 3.874 3.960 0.002 0.000 0.217 3154 G HA3 -0.088 3.874 3.960 0.002 0.000 0.217 3154 G C 1.335 175.959 174.900 -0.460 0.000 1.159 3154 G CA -0.086 44.564 45.100 -0.749 0.000 0.760 3154 G HN 0.482 nan 8.290 nan 0.000 0.550 3155 L N 1.808 122.798 121.223 -0.389 0.000 1.997 3155 L HA -0.102 4.239 4.340 0.002 0.000 0.216 3155 L C 2.862 179.686 176.870 -0.078 0.000 1.074 3155 L CA 2.612 57.422 54.840 -0.051 0.000 0.763 3155 L CB -0.715 41.364 42.059 0.033 0.000 0.890 3155 L HN 0.210 nan 8.230 nan 0.000 0.434 3156 A N -0.846 121.934 122.820 -0.066 0.000 1.845 3156 A HA -0.192 4.130 4.320 0.002 0.000 0.215 3156 A C 2.252 179.783 177.584 -0.089 0.000 1.195 3156 A CA 1.864 53.868 52.037 -0.055 0.000 0.616 3156 A CB -1.194 17.817 19.000 0.019 0.000 0.832 3156 A HN 0.506 nan 8.150 nan 0.000 0.443 3157 L N -0.057 121.118 121.223 -0.080 0.000 2.042 3157 L HA -0.128 4.213 4.340 0.002 0.000 0.210 3157 L C 2.639 179.484 176.870 -0.042 0.000 1.076 3157 L CA 2.349 57.139 54.840 -0.084 0.000 0.749 3157 L CB -0.887 41.096 42.059 -0.127 0.000 0.893 3157 L HN 0.375 nan 8.230 nan 0.000 0.432 3158 A N -0.650 122.158 122.820 -0.021 0.000 1.877 3158 A HA -0.096 4.226 4.320 0.002 0.000 0.216 3158 A C 2.425 179.984 177.584 -0.041 0.000 1.186 3158 A CA 2.060 54.114 52.037 0.028 0.000 0.620 3158 A CB -1.152 17.919 19.000 0.118 0.000 0.822 3158 A HN 0.595 nan 8.150 nan 0.000 0.443 3159 A N -1.646 121.062 122.820 -0.187 0.000 1.854 3159 A HA -0.109 4.212 4.320 0.002 0.000 0.214 3159 A C 2.077 179.409 177.584 -0.421 0.000 1.192 3159 A CA 1.325 53.098 52.037 -0.440 0.000 0.611 3159 A CB -0.959 17.471 19.000 -0.950 0.000 0.832 3159 A HN 0.635 nan 8.150 nan 0.000 0.442 3160 H N -0.499 118.305 119.070 -0.443 0.000 2.387 3160 H HA -0.064 4.493 4.556 0.003 0.000 0.299 3160 H C 0.876 176.200 175.328 -0.006 0.000 1.099 3160 H CA 1.667 57.638 56.048 -0.127 0.000 1.315 3160 H CB 0.307 29.903 29.762 -0.277 0.000 1.380 3160 H HN 0.425 nan 8.280 nan 0.000 0.513 3161 E N -0.017 120.222 120.200 0.066 0.000 2.583 3161 E HA 0.006 4.358 4.350 0.002 0.000 0.213 3161 E C -0.075 176.553 176.600 0.048 0.000 0.989 3161 E CA -0.303 56.132 56.400 0.057 0.000 0.991 3161 E CB 0.098 29.822 29.700 0.040 0.000 1.040 3161 E HN 0.308 nan 8.360 nan 0.000 0.481 3162 N N 1.124 119.850 118.700 0.044 0.000 2.642 3162 N HA -0.161 4.580 4.740 0.002 0.000 0.269 3162 N C -0.714 174.830 175.510 0.057 0.000 1.073 3162 N CA 0.911 53.994 53.050 0.054 0.000 0.748 3162 N CB -0.893 37.631 38.487 0.062 0.000 0.894 3162 N HN 0.043 nan 8.380 nan 0.000 0.548 3163 V N -2.294 117.659 119.914 0.064 0.000 3.049 3163 V HA 0.644 4.766 4.120 0.002 0.000 0.309 3163 V C 0.275 176.439 176.094 0.117 0.000 1.148 3163 V CA -1.037 61.309 62.300 0.076 0.000 0.990 3163 V CB 2.215 34.069 31.823 0.053 0.000 1.039 3163 V HN -0.098 nan 8.190 nan 0.000 0.430 3164 V N 3.172 123.170 119.914 0.140 0.000 2.432 3164 V HA 0.390 4.511 4.120 0.002 0.000 0.271 3164 V C 0.224 176.452 176.094 0.224 0.000 1.046 3164 V CA -0.226 62.189 62.300 0.192 0.000 0.945 3164 V CB 1.131 33.068 31.823 0.189 0.000 0.992 3164 V HN 0.727 nan 8.190 nan 0.000 0.471 3165 V N 6.200 126.288 119.914 0.290 0.000 2.394 3165 V HA 0.428 4.550 4.120 0.002 0.000 0.282 3165 V C -0.058 176.292 176.094 0.427 0.000 1.031 3165 V CA -0.453 62.064 62.300 0.363 0.000 0.881 3165 V CB 1.743 33.769 31.823 0.339 0.000 0.982 3165 V HN 0.606 nan 8.190 nan 0.000 0.451 3166 V N 4.231 124.383 119.914 0.398 0.000 2.407 3166 V HA 0.465 4.586 4.120 0.002 0.000 0.291 3166 V C 0.208 176.516 176.094 0.357 0.000 1.018 3166 V CA -0.506 61.986 62.300 0.321 0.000 0.842 3166 V CB 2.110 34.064 31.823 0.219 0.000 0.996 3166 V HN 0.994 nan 8.190 nan 0.000 0.426 3167 T N 3.850 118.620 114.554 0.360 0.000 2.756 3167 T HA 0.759 5.111 4.350 0.002 0.000 0.290 3167 T C -0.323 174.530 174.700 0.255 0.000 0.985 3167 T CA -0.460 61.863 62.100 0.371 0.000 0.955 3167 T CB 0.911 70.039 68.868 0.433 0.000 0.930 3167 T HN 0.616 nan 8.240 nan 0.000 0.451 3168 I N 0.456 121.139 120.570 0.189 0.000 2.924 3168 I HA 0.682 4.853 4.170 0.002 0.000 0.316 3168 I C -0.465 175.813 176.117 0.269 0.000 1.014 3168 I CA -1.258 60.122 61.300 0.133 0.000 1.106 3168 I CB 1.694 39.658 38.000 -0.060 0.000 1.311 3168 I HN 0.528 nan 8.210 nan 0.000 0.502 3169 Q N 1.382 121.384 119.800 0.336 0.000 2.458 3169 Q HA 0.585 4.926 4.340 0.002 0.000 0.282 3169 Q C -1.940 174.326 176.000 0.444 0.000 1.106 3169 Q CA -0.823 55.197 55.803 0.362 0.000 0.814 3169 Q CB 2.913 31.821 28.738 0.284 0.000 1.425 3169 Q HN 0.733 nan 8.270 nan 0.000 0.437 3170 Y N -2.803 117.629 120.300 0.220 0.000 2.558 3170 Y HA 0.502 5.053 4.550 0.002 0.000 0.333 3170 Y C -0.963 175.019 175.900 0.135 0.000 1.125 3170 Y CA -1.400 56.801 58.100 0.169 0.000 1.039 3170 Y CB 0.752 39.264 38.460 0.086 0.000 1.331 3170 Y HN 0.431 nan 8.280 nan 0.000 0.456 3171 R N 2.275 122.872 120.500 0.161 0.000 2.566 3171 R HA 0.280 4.621 4.340 0.002 0.000 0.273 3171 R C -0.866 175.529 176.300 0.159 0.000 0.981 3171 R CA 0.385 56.542 56.100 0.096 0.000 1.091 3171 R CB 0.165 30.531 30.300 0.110 0.000 0.924 3171 R HN 0.699 nan 8.270 nan 0.000 0.411 3172 L N 1.246 122.588 121.223 0.199 0.000 2.286 3172 L HA 0.483 4.824 4.340 0.002 0.000 0.265 3172 L C 1.308 178.471 176.870 0.488 0.000 1.012 3172 L CA -0.397 54.651 54.840 0.346 0.000 0.818 3172 L CB 1.601 43.767 42.059 0.178 0.000 1.337 3172 L HN 0.902 nan 8.230 nan 0.000 0.438 3173 G N 0.574 109.655 108.800 0.467 0.000 2.627 3173 G HA2 -0.342 3.619 3.960 0.002 0.000 0.312 3173 G HA3 -0.342 3.619 3.960 0.002 0.000 0.312 3173 G C 0.894 176.032 174.900 0.397 0.000 1.299 3173 G CA 0.680 45.986 45.100 0.344 0.000 0.989 3173 G HN 0.651 nan 8.290 nan 0.000 0.547 3174 I N -0.631 120.088 120.570 0.247 0.000 2.118 3174 I HA -0.229 3.942 4.170 0.002 0.000 0.241 3174 I C 2.845 179.151 176.117 0.314 0.000 1.070 3174 I CA 2.544 63.947 61.300 0.171 0.000 1.327 3174 I CB -0.388 37.469 38.000 -0.238 0.000 1.034 3174 I HN 0.577 nan 8.210 nan 0.000 0.405 3175 W N 0.652 122.090 121.300 0.231 0.000 2.313 3175 W HA -0.156 4.505 4.660 0.002 0.000 0.293 3175 W C 2.177 178.771 176.519 0.125 0.000 1.216 3175 W CA 1.357 58.731 57.345 0.049 0.000 1.223 3175 W CB -0.822 28.608 29.460 -0.050 0.000 1.138 3175 W HN 0.286 nan 8.180 nan 0.000 0.535 3176 G N -3.019 105.994 108.800 0.355 0.000 3.228 3176 G HA2 0.175 4.136 3.960 0.002 0.000 0.245 3176 G HA3 0.175 4.136 3.960 0.002 0.000 0.245 3176 G C 0.360 174.860 174.900 -0.667 0.000 1.051 3176 G CA -0.103 44.971 45.100 -0.044 0.000 0.809 3176 G HN 0.099 nan 8.290 nan 0.000 0.531 3177 F N -0.703 119.481 119.950 0.390 0.000 2.936 3177 F HA 0.394 4.922 4.527 0.002 0.000 0.334 3177 F C -0.015 175.880 175.800 0.159 0.000 1.170 3177 F CA -1.606 56.476 58.000 0.136 0.000 1.104 3177 F CB 0.285 39.302 39.000 0.029 0.000 1.216 3177 F HN 0.021 nan 8.300 nan 0.000 0.518 3178 F N 2.281 122.440 119.950 0.348 0.000 2.502 3178 F HA 0.466 4.994 4.527 0.002 0.000 0.371 3178 F C 0.352 176.258 175.800 0.177 0.000 1.083 3178 F CA -0.069 58.060 58.000 0.216 0.000 1.174 3178 F CB 0.465 39.533 39.000 0.113 0.000 1.096 3178 F HN -0.086 nan 8.300 nan 0.000 0.545 3179 S N 3.669 119.008 115.700 -0.602 0.000 2.521 3179 S HA 0.353 4.824 4.470 0.002 0.000 0.295 3179 S C 0.463 174.690 174.600 -0.622 0.000 1.098 3179 S CA -0.079 57.845 58.200 -0.460 0.000 0.999 3179 S CB 1.339 64.382 63.200 -0.262 0.000 1.034 3179 S HN 0.794 nan 8.310 nan 0.000 0.483 3180 T N 0.943 115.272 114.554 -0.376 0.000 3.122 3180 T HA 0.393 4.744 4.350 0.002 0.000 0.250 3180 T C 1.495 176.129 174.700 -0.110 0.000 1.067 3180 T CA 0.548 62.509 62.100 -0.232 0.000 0.966 3180 T CB -0.156 68.693 68.868 -0.032 0.000 1.002 3180 T HN 1.697 nan 8.240 nan 0.000 0.542 3181 G N 2.072 110.802 108.800 -0.116 0.000 2.205 3181 G HA2 -0.241 3.720 3.960 0.002 0.000 0.261 3181 G HA3 -0.241 3.720 3.960 0.002 0.000 0.261 3181 G C -0.199 174.677 174.900 -0.039 0.000 0.980 3181 G CA 0.387 45.442 45.100 -0.075 0.000 0.632 3181 G HN 0.895 nan 8.290 nan 0.000 0.533 3182 D N -1.161 119.233 120.400 -0.010 0.000 2.758 3182 D HA 0.476 5.117 4.640 0.002 0.000 0.279 3182 D C 1.360 177.648 176.300 -0.019 0.000 1.111 3182 D CA -0.076 53.919 54.000 -0.008 0.000 1.109 3182 D CB -0.202 40.616 40.800 0.029 0.000 1.428 3182 D HN 0.143 nan 8.370 nan 0.000 0.586 3183 E N -0.249 119.886 120.200 -0.109 0.000 2.333 3183 E HA -0.237 4.114 4.350 0.002 0.000 0.198 3183 E C 0.786 177.319 176.600 -0.111 0.000 1.007 3183 E CA 1.134 57.457 56.400 -0.128 0.000 0.845 3183 E CB -0.592 28.987 29.700 -0.202 0.000 0.766 3183 E HN 0.503 nan 8.360 nan 0.000 0.507 3184 H N 0.340 119.473 119.070 0.104 0.000 2.547 3184 H HA 0.168 4.725 4.556 0.002 0.000 0.272 3184 H C 0.371 175.818 175.328 0.198 0.000 0.989 3184 H CA 1.041 57.164 56.048 0.125 0.000 1.214 3184 H CB 0.484 30.302 29.762 0.092 0.000 1.389 3184 H HN 0.128 nan 8.280 nan 0.000 0.577 3185 S N -0.376 115.520 115.700 0.327 0.000 2.949 3185 S HA 0.111 4.582 4.470 0.002 0.000 0.136 3185 S C 0.939 175.740 174.600 0.335 0.000 0.855 3185 S CA -0.535 57.977 58.200 0.519 0.000 0.869 3185 S CB -0.143 63.347 63.200 0.484 0.000 1.577 3185 S HN 0.199 nan 8.310 nan 0.000 0.602 3186 R N 1.238 121.854 120.500 0.194 0.000 2.134 3186 R HA 0.037 4.378 4.340 0.002 0.000 0.248 3186 R C 1.496 177.572 176.300 -0.374 0.000 1.143 3186 R CA 1.732 57.772 56.100 -0.100 0.000 0.957 3186 R CB -0.388 29.843 30.300 -0.116 0.000 0.867 3186 R HN 0.897 nan 8.270 nan 0.000 0.441 3187 G N -1.054 107.127 108.800 -1.032 0.000 2.447 3187 G HA2 -0.214 3.747 3.960 0.002 0.000 0.220 3187 G HA3 -0.214 3.747 3.960 0.002 0.000 0.220 3187 G C -0.554 173.530 174.900 -1.359 0.000 1.261 3187 G CA -0.307 44.000 45.100 -1.322 0.000 1.000 3187 G HN 0.254 nan 8.290 nan 0.000 0.515 3188 N N -1.024 117.254 118.700 -0.704 0.000 2.708 3188 N HA -0.209 4.532 4.740 0.002 0.000 0.251 3188 N C 1.262 176.537 175.510 -0.392 0.000 1.123 3188 N CA 2.024 54.900 53.050 -0.290 0.000 0.739 3188 N CB -1.589 36.867 38.487 -0.051 0.000 1.113 3188 N HN 0.709 nan 8.380 nan 0.000 0.561 3189 W N 0.564 121.765 121.300 -0.164 0.000 2.304 3189 W HA -0.185 4.476 4.660 0.002 0.000 0.315 3189 W C 2.511 178.911 176.519 -0.198 0.000 1.233 3189 W CA 0.922 58.191 57.345 -0.126 0.000 1.261 3189 W CB -0.837 28.571 29.460 -0.087 0.000 1.150 3189 W HN 0.289 nan 8.180 nan 0.000 0.494 3190 G N -0.025 108.538 108.800 -0.394 0.000 2.476 3190 G HA2 -0.298 3.664 3.960 0.002 0.000 0.218 3190 G HA3 -0.298 3.664 3.960 0.002 0.000 0.218 3190 G C 1.221 176.070 174.900 -0.085 0.000 1.164 3190 G CA 1.507 46.450 45.100 -0.262 0.000 0.768 3190 G HN 0.307 nan 8.290 nan 0.000 0.560 3191 H N 0.393 119.466 119.070 0.004 0.000 2.387 3191 H HA 0.054 4.611 4.556 0.002 0.000 0.299 3191 H C 2.734 178.064 175.328 0.003 0.000 1.090 3191 H CA 0.965 57.005 56.048 -0.015 0.000 1.332 3191 H CB -0.289 29.480 29.762 0.011 0.000 1.386 3191 H HN 0.288 nan 8.280 nan 0.000 0.516 3192 L N 0.360 121.676 121.223 0.156 0.000 2.201 3192 L HA -0.136 4.205 4.340 0.002 0.000 0.212 3192 L C 2.000 178.983 176.870 0.189 0.000 1.105 3192 L CA 0.803 55.741 54.840 0.164 0.000 0.775 3192 L CB -0.195 41.984 42.059 0.200 0.000 0.913 3192 L HN 0.095 nan 8.230 nan 0.000 0.440 3193 D N -0.004 120.523 120.400 0.211 0.000 2.144 3193 D HA -0.168 4.474 4.640 0.002 0.000 0.200 3193 D C 2.293 178.744 176.300 0.253 0.000 0.978 3193 D CA 1.070 55.267 54.000 0.328 0.000 0.833 3193 D CB -0.091 40.931 40.800 0.370 0.000 0.961 3193 D HN 0.431 nan 8.370 nan 0.000 0.470 3194 Q N 0.306 120.164 119.800 0.095 0.000 2.084 3194 Q HA -0.080 4.261 4.340 0.002 0.000 0.202 3194 Q C 2.412 178.387 176.000 -0.042 0.000 0.978 3194 Q CA 0.834 56.604 55.803 -0.055 0.000 0.844 3194 Q CB -0.021 28.621 28.738 -0.161 0.000 0.898 3194 Q HN 0.139 nan 8.270 nan 0.000 0.426 3195 V N 1.211 121.146 119.914 0.035 0.000 2.343 3195 V HA -0.279 3.842 4.120 0.002 0.000 0.247 3195 V C 2.329 178.475 176.094 0.087 0.000 1.051 3195 V CA 1.777 64.113 62.300 0.060 0.000 1.036 3195 V CB -1.019 30.858 31.823 0.091 0.000 0.654 3195 V HN 0.415 nan 8.190 nan 0.000 0.451 3196 A N 0.125 123.033 122.820 0.146 0.000 1.908 3196 A HA -0.180 4.141 4.320 0.002 0.000 0.218 3196 A C 2.419 180.093 177.584 0.150 0.000 1.181 3196 A CA 2.266 54.445 52.037 0.237 0.000 0.627 3196 A CB -0.820 18.422 19.000 0.404 0.000 0.818 3196 A HN 0.591 nan 8.150 nan 0.000 0.445 3197 A N -0.579 122.097 122.820 -0.241 0.000 1.972 3197 A HA 0.013 4.334 4.320 0.002 0.000 0.219 3197 A C 2.156 179.669 177.584 -0.118 0.000 1.169 3197 A CA 1.401 53.029 52.037 -0.681 0.000 0.635 3197 A CB -0.509 17.798 19.000 -1.154 0.000 0.810 3197 A HN 0.480 nan 8.150 nan 0.000 0.446 3198 L N -1.027 120.178 121.223 -0.030 0.000 2.056 3198 L HA -0.153 4.188 4.340 0.002 0.000 0.207 3198 L C 2.857 179.803 176.870 0.126 0.000 1.078 3198 L CA 1.045 55.925 54.840 0.067 0.000 0.749 3198 L CB -0.433 41.667 42.059 0.069 0.000 0.901 3198 L HN 0.355 nan 8.230 nan 0.000 0.433 3199 R N -0.952 119.630 120.500 0.136 0.000 2.081 3199 R HA -0.231 4.110 4.340 0.002 0.000 0.235 3199 R C 2.048 178.441 176.300 0.156 0.000 1.131 3199 R CA 1.866 58.047 56.100 0.134 0.000 0.960 3199 R CB -0.678 29.707 30.300 0.142 0.000 0.856 3199 R HN 0.436 nan 8.270 nan 0.000 0.436 3200 W N 1.466 122.801 121.300 0.059 0.000 2.338 3200 W HA -0.220 4.441 4.660 0.002 0.000 0.304 3200 W C 1.896 178.447 176.519 0.053 0.000 1.212 3200 W CA 1.314 58.707 57.345 0.081 0.000 1.264 3200 W CB -0.140 29.395 29.460 0.125 0.000 1.142 3200 W HN -0.234 nan 8.180 nan 0.000 0.512 3201 V N 0.957 121.066 119.914 0.326 0.000 2.343 3201 V HA -0.346 3.775 4.120 0.002 0.000 0.247 3201 V C 2.474 178.569 176.094 0.001 0.000 1.051 3201 V CA 2.083 64.500 62.300 0.195 0.000 1.036 3201 V CB -1.044 30.916 31.823 0.230 0.000 0.654 3201 V HN 0.215 nan 8.190 nan 0.000 0.451 3202 Q N -0.244 119.570 119.800 0.023 0.000 2.291 3202 Q HA -0.154 4.187 4.340 0.002 0.000 0.206 3202 Q C 1.356 177.303 176.000 -0.088 0.000 0.976 3202 Q CA 1.167 56.970 55.803 -0.001 0.000 0.875 3202 Q CB -0.321 28.434 28.738 0.028 0.000 0.927 3202 Q HN 0.662 nan 8.270 nan 0.000 0.450 3203 D N -0.792 119.492 120.400 -0.193 0.000 2.395 3203 D HA 0.111 4.752 4.640 0.002 0.000 0.213 3203 D C 0.729 176.778 176.300 -0.417 0.000 1.110 3203 D CA 0.057 53.897 54.000 -0.267 0.000 0.835 3203 D CB 0.434 41.076 40.800 -0.263 0.000 0.965 3203 D HN 0.230 nan 8.370 nan 0.000 0.505 3204 N N -0.240 118.150 118.700 -0.517 0.000 2.072 3204 N HA -0.017 4.724 4.740 0.002 0.000 0.246 3204 N C 1.508 176.917 175.510 -0.168 0.000 1.215 3204 N CA -0.215 52.502 53.050 -0.556 0.000 0.799 3204 N CB 0.851 38.489 38.487 -1.416 0.000 1.407 3204 N HN -0.065 nan 8.380 nan 0.000 0.489 3205 I N 3.067 123.569 120.570 -0.113 0.000 2.300 3205 I HA -0.194 3.978 4.170 0.002 0.000 0.252 3205 I C 2.193 178.425 176.117 0.191 0.000 1.119 3205 I CA 1.036 62.427 61.300 0.152 0.000 1.384 3205 I CB -0.343 37.727 38.000 0.117 0.000 1.062 3205 I HN 0.164 nan 8.210 nan 0.000 0.426 3206 A N -1.288 121.568 122.820 0.060 0.000 2.076 3206 A HA -0.176 4.146 4.320 0.002 0.000 0.220 3206 A C 2.360 179.951 177.584 0.011 0.000 1.160 3206 A CA 1.954 54.009 52.037 0.030 0.000 0.653 3206 A CB -0.784 18.205 19.000 -0.019 0.000 0.801 3206 A HN 0.452 nan 8.150 nan 0.000 0.455 3207 S N -1.498 114.187 115.700 -0.024 0.000 2.603 3207 S HA 0.191 4.662 4.470 0.002 0.000 0.220 3207 S C 0.182 174.551 174.600 -0.385 0.000 0.967 3207 S CA 0.169 58.239 58.200 -0.217 0.000 0.920 3207 S CB -0.300 62.688 63.200 -0.353 0.000 0.773 3207 S HN 0.552 nan 8.310 nan 0.000 0.529 3208 F N 0.640 120.576 119.950 -0.023 0.000 2.791 3208 F HA 0.373 4.902 4.527 0.003 0.000 0.308 3208 F C 1.461 177.300 175.800 0.065 0.000 1.138 3208 F CA -0.397 57.608 58.000 0.009 0.000 1.294 3208 F CB 0.274 39.267 39.000 -0.011 0.000 0.975 3208 F HN 0.173 nan 8.300 nan 0.000 0.512 3209 G N 0.568 109.461 108.800 0.156 0.000 2.153 3209 G HA2 -0.196 3.765 3.960 0.002 0.000 0.252 3209 G HA3 -0.196 3.765 3.960 0.002 0.000 0.252 3209 G C 0.557 175.534 174.900 0.128 0.000 0.994 3209 G CA -0.012 45.164 45.100 0.127 0.000 0.698 3209 G HN 0.775 nan 8.290 nan 0.000 0.521 3210 G N -0.633 108.256 108.800 0.147 0.000 2.389 3210 G HA2 0.511 4.472 3.960 0.002 0.000 0.328 3210 G HA3 0.511 4.472 3.960 0.002 0.000 0.328 3210 G C -0.340 174.606 174.900 0.075 0.000 1.133 3210 G CA -0.180 44.993 45.100 0.122 0.000 0.891 3210 G HN 0.513 nan 8.290 nan 0.000 0.485 3211 N N 2.150 120.879 118.700 0.048 0.000 2.437 3211 N HA 0.269 5.010 4.740 0.002 0.000 0.243 3211 N C -0.991 174.523 175.510 0.008 0.000 1.041 3211 N CA -2.449 50.607 53.050 0.010 0.000 0.940 3211 N CB 1.793 40.266 38.487 -0.023 0.000 1.133 3211 N HN 0.128 nan 8.380 nan 0.000 0.506 3212 P HA -0.050 nan 4.420 nan 0.000 0.226 3212 P C 0.875 178.213 177.300 0.063 0.000 1.146 3212 P CA 0.797 63.930 63.100 0.055 0.000 0.773 3212 P CB 0.124 31.843 31.700 0.031 0.000 0.772 3213 G N -0.925 107.834 108.800 -0.068 0.000 2.880 3213 G HA2 -0.017 3.945 3.960 0.002 0.000 0.209 3213 G HA3 -0.017 3.945 3.960 0.002 0.000 0.209 3213 G C 0.622 175.016 174.900 -0.843 0.000 1.157 3213 G CA 0.144 45.094 45.100 -0.250 0.000 0.779 3213 G HN 0.341 nan 8.290 nan 0.000 0.539 3214 S N 0.300 115.712 115.700 -0.480 0.000 2.112 3214 S HA 0.488 4.959 4.470 0.002 0.000 0.151 3214 S C -0.838 173.727 174.600 -0.059 0.000 1.723 3214 S CA -0.414 57.542 58.200 -0.406 0.000 1.263 3214 S CB 0.386 63.461 63.200 -0.209 0.000 1.194 3214 S HN -0.053 nan 8.310 nan 0.000 0.419 3215 V N 3.369 123.425 119.914 0.236 0.000 2.398 3215 V HA 0.526 4.647 4.120 0.002 0.000 0.286 3215 V C 0.200 176.484 176.094 0.318 0.000 1.026 3215 V CA -0.430 62.052 62.300 0.304 0.000 0.868 3215 V CB 1.736 33.765 31.823 0.343 0.000 0.982 3215 V HN 0.626 nan 8.190 nan 0.000 0.443 3216 T N 6.456 121.128 114.554 0.197 0.000 2.779 3216 T HA 0.626 4.977 4.350 0.002 0.000 0.280 3216 T C -0.150 174.679 174.700 0.214 0.000 0.987 3216 T CA -0.191 62.007 62.100 0.164 0.000 0.966 3216 T CB 0.962 69.846 68.868 0.027 0.000 0.933 3216 T HN 0.614 nan 8.240 nan 0.000 0.442 3217 I N 1.397 122.079 120.570 0.186 0.000 2.437 3217 I HA 0.909 5.081 4.170 0.002 0.000 0.298 3217 I C -0.932 175.385 176.117 0.334 0.000 0.984 3217 I CA -1.069 60.335 61.300 0.173 0.000 1.214 3217 I CB 1.192 39.072 38.000 -0.200 0.000 1.365 3217 I HN 0.538 nan 8.210 nan 0.000 0.469 3218 F N 2.438 122.399 119.950 0.019 0.000 2.665 3218 F HA 0.957 5.485 4.527 0.002 0.000 0.308 3218 F C -0.582 175.134 175.800 -0.139 0.000 1.112 3218 F CA -1.201 56.840 58.000 0.068 0.000 0.972 3218 F CB 1.077 40.240 39.000 0.272 0.000 1.295 3218 F HN 0.857 nan 8.300 nan 0.000 0.440 3219 G N 0.908 109.493 108.800 -0.359 0.000 2.649 3219 G HA2 0.525 4.486 3.960 0.002 0.000 0.290 3219 G HA3 0.525 4.486 3.960 0.002 0.000 0.290 3219 G C -2.451 172.151 174.900 -0.497 0.000 1.426 3219 G CA -0.770 43.651 45.100 -1.131 0.000 0.794 3219 G HN 0.838 nan 8.290 nan 0.000 0.483 3220 E N 0.042 119.951 120.200 -0.486 0.000 2.256 3220 E HA 0.629 4.980 4.350 0.002 0.000 0.267 3220 E C 0.698 177.309 176.600 0.019 0.000 0.892 3220 E CA 0.213 56.600 56.400 -0.021 0.000 0.775 3220 E CB 2.162 31.977 29.700 0.191 0.000 1.207 3220 E HN 0.719 nan 8.360 nan 0.000 0.420 3221 S N 2.274 118.042 115.700 0.113 0.000 4.139 3221 S HA -0.396 4.075 4.470 0.002 0.000 0.603 3221 S C 1.444 176.153 174.600 0.182 0.000 1.897 3221 S CA 2.115 60.492 58.200 0.295 0.000 4.241 3221 S CB -1.561 61.910 63.200 0.452 0.000 0.221 3221 S HN 0.885 nan 8.310 nan 0.000 0.488 3222 A N 1.039 123.955 122.820 0.159 0.000 2.019 3222 A HA 0.192 4.513 4.320 0.002 0.000 0.219 3222 A C 2.453 180.009 177.584 -0.048 0.000 1.164 3222 A CA 2.285 54.357 52.037 0.057 0.000 0.644 3222 A CB -1.495 17.547 19.000 0.069 0.000 0.805 3222 A HN 1.536 nan 8.150 nan 0.000 0.449 3223 G N -0.471 108.262 108.800 -0.112 0.000 2.422 3223 G HA2 0.014 3.975 3.960 0.002 0.000 0.218 3223 G HA3 0.014 3.975 3.960 0.002 0.000 0.218 3223 G C 1.455 176.197 174.900 -0.263 0.000 1.146 3223 G CA 1.229 46.133 45.100 -0.326 0.000 0.769 3223 G HN 0.660 nan 8.290 nan 0.000 0.547 3224 G N 0.213 108.935 108.800 -0.130 0.000 2.394 3224 G HA2 -0.132 3.829 3.960 0.002 0.000 0.215 3224 G HA3 -0.132 3.829 3.960 0.002 0.000 0.215 3224 G C 1.552 176.436 174.900 -0.027 0.000 1.165 3224 G CA 1.035 46.107 45.100 -0.046 0.000 0.784 3224 G HN 0.413 nan 8.290 nan 0.000 0.535 3225 E N 1.024 121.213 120.200 -0.017 0.000 2.118 3225 E HA -0.121 4.230 4.350 0.002 0.000 0.195 3225 E C 2.555 179.111 176.600 -0.072 0.000 0.992 3225 E CA 1.294 57.675 56.400 -0.030 0.000 0.804 3225 E CB -0.217 29.469 29.700 -0.024 0.000 0.741 3225 E HN 0.346 nan 8.360 nan 0.000 0.458 3226 S N 0.124 115.771 115.700 -0.089 0.000 2.345 3226 S HA -0.119 4.352 4.470 0.002 0.000 0.220 3226 S C 2.171 176.652 174.600 -0.198 0.000 1.031 3226 S CA 1.174 59.306 58.200 -0.113 0.000 0.996 3226 S CB -0.311 62.770 63.200 -0.198 0.000 0.882 3226 S HN 0.144 nan 8.310 nan 0.000 0.445 3227 V N 1.534 121.324 119.914 -0.206 0.000 2.324 3227 V HA -0.188 3.934 4.120 0.002 0.000 0.250 3227 V C 2.595 178.555 176.094 -0.223 0.000 1.060 3227 V CA 2.050 64.204 62.300 -0.242 0.000 1.042 3227 V CB -0.832 30.906 31.823 -0.142 0.000 0.650 3227 V HN 0.561 nan 8.190 nan 0.000 0.450 3228 S N -0.719 114.922 115.700 -0.097 0.000 2.383 3228 S HA -0.139 4.332 4.470 0.002 0.000 0.227 3228 S C 1.915 176.437 174.600 -0.130 0.000 1.026 3228 S CA 1.694 59.865 58.200 -0.049 0.000 0.981 3228 S CB -0.100 63.129 63.200 0.049 0.000 0.818 3228 S HN 0.356 nan 8.310 nan 0.000 0.472 3229 V N 2.036 121.840 119.914 -0.184 0.000 2.379 3229 V HA -0.066 4.056 4.120 0.002 0.000 0.245 3229 V C 2.369 178.334 176.094 -0.214 0.000 1.044 3229 V CA 1.525 63.677 62.300 -0.246 0.000 1.036 3229 V CB -0.664 30.892 31.823 -0.445 0.000 0.664 3229 V HN 0.467 nan 8.190 nan 0.000 0.453 3230 L N -0.263 120.825 121.223 -0.224 0.000 2.127 3230 L HA -0.158 4.184 4.340 0.002 0.000 0.211 3230 L C 2.441 179.315 176.870 0.006 0.000 1.089 3230 L CA 1.055 55.799 54.840 -0.160 0.000 0.757 3230 L CB -0.630 41.226 42.059 -0.338 0.000 0.899 3230 L HN 0.220 nan 8.230 nan 0.000 0.434 3231 V N 0.071 119.951 119.914 -0.056 0.000 2.515 3231 V HA -0.243 3.878 4.120 0.002 0.000 0.250 3231 V C 2.163 178.318 176.094 0.103 0.000 1.058 3231 V CA 1.464 63.827 62.300 0.105 0.000 1.064 3231 V CB -0.260 31.449 31.823 -0.189 0.000 0.675 3231 V HN 0.393 nan 8.190 nan 0.000 0.461 3232 L N -0.928 120.261 121.223 -0.056 0.000 2.375 3232 L HA 0.139 4.481 4.340 0.002 0.000 0.215 3232 L C 1.370 178.064 176.870 -0.294 0.000 1.108 3232 L CA 0.224 54.938 54.840 -0.212 0.000 0.830 3232 L CB -0.121 41.826 42.059 -0.187 0.000 0.959 3232 L HN 0.197 nan 8.230 nan 0.000 0.457 3233 S N 0.241 115.879 115.700 -0.103 0.000 2.528 3233 S HA 0.172 4.643 4.470 0.002 0.000 0.277 3233 S C -1.573 173.110 174.600 0.138 0.000 1.297 3233 S CA -1.234 56.939 58.200 -0.044 0.000 1.052 3233 S CB 1.146 64.334 63.200 -0.021 0.000 0.917 3233 S HN -0.099 nan 8.310 nan 0.000 0.492 3234 P HA 0.022 nan 4.420 nan 0.000 0.219 3234 P C 1.203 178.636 177.300 0.222 0.000 1.150 3234 P CA 0.768 64.069 63.100 0.336 0.000 0.814 3234 P CB 0.071 31.892 31.700 0.202 0.000 0.787 3235 L N -0.999 120.308 121.223 0.140 0.000 2.131 3235 L HA -0.124 4.217 4.340 0.002 0.000 0.210 3235 L C 2.274 179.225 176.870 0.134 0.000 1.092 3235 L CA 1.533 56.441 54.840 0.114 0.000 0.759 3235 L CB -1.167 40.944 42.059 0.087 0.000 0.903 3235 L HN -0.042 nan 8.230 nan 0.000 0.435 3236 A N -0.397 122.531 122.820 0.180 0.000 2.167 3236 A HA -0.075 4.246 4.320 0.002 0.000 0.214 3236 A C 1.227 178.944 177.584 0.221 0.000 1.151 3236 A CA 0.028 52.218 52.037 0.253 0.000 0.735 3236 A CB -0.293 18.917 19.000 0.349 0.000 0.802 3236 A HN 0.224 nan 8.150 nan 0.000 0.467 3237 K N 1.104 121.591 120.400 0.146 0.000 2.511 3237 K HA -0.087 4.235 4.320 0.002 0.000 0.280 3237 K C -0.218 176.349 176.600 -0.055 0.000 1.008 3237 K CA 0.637 56.928 56.287 0.006 0.000 1.050 3237 K CB -0.027 32.463 32.500 -0.016 0.000 0.889 3237 K HN 0.463 nan 8.250 nan 0.000 0.484 3238 N N 2.160 120.774 118.700 -0.144 0.000 2.878 3238 N HA -0.222 4.520 4.740 0.002 0.000 0.247 3238 N C 0.273 175.677 175.510 -0.176 0.000 1.021 3238 N CA 1.059 54.009 53.050 -0.166 0.000 0.873 3238 N CB -1.086 37.338 38.487 -0.105 0.000 1.128 3238 N HN 0.592 nan 8.380 nan 0.000 0.571 3239 L N -0.867 120.276 121.223 -0.133 0.000 2.590 3239 L HA 0.256 4.597 4.340 0.002 0.000 0.227 3239 L C 0.278 177.206 176.870 0.096 0.000 1.099 3239 L CA 0.225 55.091 54.840 0.045 0.000 0.872 3239 L CB 0.086 42.257 42.059 0.187 0.000 1.088 3239 L HN 0.182 nan 8.230 nan 0.000 0.479 3240 F N -4.160 115.607 119.950 -0.305 0.000 2.668 3240 F HA 0.440 4.968 4.527 0.002 0.000 0.309 3240 F C -0.017 175.451 175.800 -0.554 0.000 1.117 3240 F CA -1.128 56.685 58.000 -0.311 0.000 0.951 3240 F CB 0.764 39.701 39.000 -0.104 0.000 1.323 3240 F HN -0.078 nan 8.300 nan 0.000 0.451 3241 H N -0.571 118.498 119.070 -0.001 0.000 3.058 3241 H HA 0.553 5.110 4.556 0.002 0.000 0.266 3241 H C -0.635 174.646 175.328 -0.078 0.000 1.135 3241 H CA -0.548 55.427 56.048 -0.121 0.000 1.174 3241 H CB 0.532 30.247 29.762 -0.079 0.000 1.581 3241 H HN 0.504 nan 8.280 nan 0.000 0.553 3242 R N 0.258 120.867 120.500 0.181 0.000 2.629 3242 R HA 0.749 5.090 4.340 0.002 0.000 0.266 3242 R C -1.582 174.890 176.300 0.286 0.000 1.051 3242 R CA -0.652 55.510 56.100 0.104 0.000 0.895 3242 R CB 2.171 32.352 30.300 -0.199 0.000 1.246 3242 R HN 0.164 nan 8.270 nan 0.000 0.459 3243 A N 2.901 125.916 122.820 0.326 0.000 2.449 3243 A HA 0.825 5.146 4.320 0.002 0.000 0.302 3243 A C -1.100 176.738 177.584 0.423 0.000 1.048 3243 A CA -0.653 51.528 52.037 0.239 0.000 0.708 3243 A CB 1.195 20.145 19.000 -0.082 0.000 1.274 3243 A HN 0.595 nan 8.150 nan 0.000 0.410 3244 I N 1.234 121.986 120.570 0.302 0.000 2.499 3244 I HA 0.362 4.533 4.170 0.002 0.000 0.288 3244 I C -0.319 175.935 176.117 0.229 0.000 1.048 3244 I CA -0.337 61.075 61.300 0.186 0.000 1.062 3244 I CB 2.456 40.457 38.000 0.000 0.000 1.238 3244 I HN 0.496 nan 8.210 nan 0.000 0.426 3245 S N 4.862 120.648 115.700 0.144 0.000 2.530 3245 S HA 0.361 4.832 4.470 0.002 0.000 0.322 3245 S C -0.552 174.102 174.600 0.090 0.000 1.085 3245 S CA -0.660 57.603 58.200 0.106 0.000 1.096 3245 S CB 1.100 64.342 63.200 0.070 0.000 0.988 3245 S HN 0.482 nan 8.310 nan 0.000 0.466 3246 E N 1.899 122.197 120.200 0.165 0.000 2.063 3246 E HA 0.342 4.693 4.350 0.002 0.000 0.265 3246 E C -0.579 176.089 176.600 0.114 0.000 0.919 3246 E CA -0.502 56.031 56.400 0.221 0.000 0.756 3246 E CB 0.906 30.819 29.700 0.356 0.000 1.120 3246 E HN 0.648 nan 8.360 nan 0.000 0.414 3247 S N 1.958 117.705 115.700 0.078 0.000 3.667 3247 S HA -0.108 4.363 4.470 0.002 0.000 0.405 3247 S C 0.033 174.848 174.600 0.360 0.000 0.913 3247 S CA 0.478 58.745 58.200 0.113 0.000 1.288 3247 S CB -1.091 62.037 63.200 -0.120 0.000 0.905 3247 S HN 0.969 nan 8.310 nan 0.000 0.550 3248 G N -0.853 108.131 108.800 0.308 0.000 2.088 3248 G HA2 0.498 4.459 3.960 0.002 0.000 0.222 3248 G HA3 0.498 4.459 3.960 0.002 0.000 0.222 3248 G C -0.774 174.178 174.900 0.087 0.000 1.690 3248 G CA 0.133 45.380 45.100 0.245 0.000 0.923 3248 G HN 1.571 nan 8.290 nan 0.000 0.730 3249 V N -0.668 119.262 119.914 0.027 0.000 3.105 3249 V HA 0.951 5.072 4.120 0.002 0.000 0.311 3249 V C 1.333 177.406 176.094 -0.035 0.000 1.287 3249 V CA -0.022 62.280 62.300 0.004 0.000 1.066 3249 V CB 1.153 32.972 31.823 -0.008 0.000 1.105 3249 V HN 2.122 nan 8.190 nan 0.000 0.462 3250 A N -0.658 122.141 122.820 -0.034 0.000 2.209 3250 A HA 0.261 4.582 4.320 0.002 0.000 0.212 3250 A C 1.554 179.093 177.584 -0.075 0.000 1.158 3250 A CA 1.160 53.157 52.037 -0.067 0.000 0.742 3250 A CB -0.712 18.246 19.000 -0.071 0.000 0.790 3250 A HN 0.790 nan 8.150 nan 0.000 0.472 3251 L N -0.295 120.886 121.223 -0.069 0.000 2.592 3251 L HA 0.050 4.391 4.340 0.002 0.000 0.227 3251 L C 0.257 177.054 176.870 -0.122 0.000 1.127 3251 L CA 0.097 54.889 54.840 -0.079 0.000 0.884 3251 L CB 0.016 42.041 42.059 -0.057 0.000 1.065 3251 L HN 0.109 nan 8.230 nan 0.000 0.457 3252 T N -0.251 114.215 114.554 -0.147 0.000 3.781 3252 T HA 0.033 4.384 4.350 0.002 0.000 0.286 3252 T C 1.488 176.067 174.700 -0.201 0.000 1.277 3252 T CA 0.023 61.989 62.100 -0.224 0.000 1.136 3252 T CB 0.577 69.298 68.868 -0.244 0.000 1.202 3252 T HN 0.131 nan 8.240 nan 0.000 0.884 3253 S N 1.825 117.409 115.700 -0.193 0.000 2.422 3253 S HA -0.168 4.303 4.470 0.002 0.000 0.241 3253 S C 2.254 176.747 174.600 -0.178 0.000 1.076 3253 S CA 1.254 59.346 58.200 -0.180 0.000 1.066 3253 S CB -0.335 62.745 63.200 -0.200 0.000 0.890 3253 S HN 0.620 nan 8.310 nan 0.000 0.465 3254 V N 0.952 120.746 119.914 -0.200 0.000 2.867 3254 V HA -0.024 4.097 4.120 0.002 0.000 0.260 3254 V C 1.273 177.285 176.094 -0.138 0.000 1.099 3254 V CA 1.468 63.669 62.300 -0.166 0.000 1.122 3254 V CB -0.321 31.401 31.823 -0.169 0.000 0.708 3254 V HN 0.513 nan 8.190 nan 0.000 0.490 3255 L N -0.587 120.550 121.223 -0.144 0.000 2.693 3255 L HA 0.302 4.643 4.340 0.002 0.000 0.235 3255 L C -0.098 176.690 176.870 -0.137 0.000 1.127 3255 L CA -0.075 54.679 54.840 -0.143 0.000 0.914 3255 L CB 0.933 42.918 42.059 -0.124 0.000 1.193 3255 L HN 0.065 nan 8.230 nan 0.000 0.502 3256 V N 0.857 120.697 119.914 -0.123 0.000 2.483 3256 V HA 0.333 4.454 4.120 0.002 0.000 0.297 3256 V C -0.336 175.700 176.094 -0.097 0.000 1.027 3256 V CA -0.873 61.365 62.300 -0.104 0.000 0.855 3256 V CB 2.062 33.823 31.823 -0.103 0.000 0.995 3256 V HN 0.017 nan 8.190 nan 0.000 0.424 3257 K N 4.592 124.942 120.400 -0.083 0.000 2.253 3257 K HA 0.530 4.851 4.320 0.002 0.000 0.277 3257 K C -0.421 176.137 176.600 -0.069 0.000 1.053 3257 K CA -0.337 55.906 56.287 -0.073 0.000 0.892 3257 K CB 1.622 34.083 32.500 -0.064 0.000 1.102 3257 K HN 0.573 nan 8.250 nan 0.000 0.469 3258 K N 0.427 120.787 120.400 -0.067 0.000 2.166 3258 K HA 0.666 4.987 4.320 0.002 0.000 0.245 3258 K C 0.376 176.946 176.600 -0.051 0.000 0.967 3258 K CA -0.449 55.801 56.287 -0.062 0.000 0.863 3258 K CB 1.564 34.024 32.500 -0.067 0.000 1.107 3258 K HN 0.720 nan 8.250 nan 0.000 0.436 3259 G N 1.233 110.005 108.800 -0.046 0.000 2.545 3259 G HA2 -0.226 3.735 3.960 0.002 0.000 0.216 3259 G HA3 -0.226 3.735 3.960 0.002 0.000 0.216 3259 G C -1.359 173.517 174.900 -0.039 0.000 1.314 3259 G CA -0.498 44.580 45.100 -0.037 0.000 0.906 3259 G HN 0.659 nan 8.290 nan 0.000 0.563 3260 D N 0.338 120.718 120.400 -0.033 0.000 2.316 3260 D HA 0.442 5.083 4.640 0.002 0.000 0.245 3260 D C 1.740 178.014 176.300 -0.043 0.000 1.171 3260 D CA 0.466 54.444 54.000 -0.036 0.000 0.856 3260 D CB 1.301 42.085 40.800 -0.026 0.000 1.090 3260 D HN 1.178 nan 8.370 nan 0.000 0.476 3261 V N 2.173 122.051 119.914 -0.061 0.000 3.406 3261 V HA 0.060 4.181 4.120 0.002 0.000 0.263 3261 V C 2.104 178.145 176.094 -0.088 0.000 1.172 3261 V CA 0.426 62.680 62.300 -0.078 0.000 1.140 3261 V CB -0.403 31.354 31.823 -0.110 0.000 0.784 3261 V HN 0.290 nan 8.190 nan 0.000 0.467 3262 K N 2.087 122.444 120.400 -0.072 0.000 2.107 3262 K HA -0.123 4.198 4.320 0.002 0.000 0.211 3262 K C -0.130 176.445 176.600 -0.041 0.000 1.049 3262 K CA 2.579 58.830 56.287 -0.060 0.000 0.927 3262 K CB -1.707 30.773 32.500 -0.033 0.000 0.714 3262 K HN 0.454 nan 8.250 nan 0.000 0.452 3263 P HA -0.143 nan 4.420 nan 0.000 0.216 3263 P C 1.404 178.704 177.300 -0.001 0.000 1.153 3263 P CA 0.966 64.060 63.100 -0.010 0.000 0.848 3263 P CB 0.032 31.727 31.700 -0.008 0.000 0.787 3264 L N -1.015 120.202 121.223 -0.010 0.000 2.056 3264 L HA -0.155 4.187 4.340 0.002 0.000 0.207 3264 L C 2.173 179.061 176.870 0.029 0.000 1.078 3264 L CA 1.695 56.545 54.840 0.018 0.000 0.749 3264 L CB -0.858 41.209 42.059 0.013 0.000 0.901 3264 L HN -0.043 nan 8.230 nan 0.000 0.433 3265 A N -0.007 122.782 122.820 -0.053 0.000 1.865 3265 A HA -0.283 4.038 4.320 0.002 0.000 0.217 3265 A C 1.997 179.660 177.584 0.133 0.000 1.191 3265 A CA 2.013 54.021 52.037 -0.049 0.000 0.623 3265 A CB -0.641 18.201 19.000 -0.262 0.000 0.826 3265 A HN 0.553 nan 8.150 nan 0.000 0.444 3266 E N -0.958 119.279 120.200 0.062 0.000 2.118 3266 E HA -0.262 4.089 4.350 0.002 0.000 0.195 3266 E C 2.269 178.907 176.600 0.062 0.000 0.992 3266 E CA 1.332 57.770 56.400 0.062 0.000 0.804 3266 E CB -0.162 29.556 29.700 0.030 0.000 0.741 3266 E HN 0.786 nan 8.360 nan 0.000 0.458 3267 Q N 0.480 120.315 119.800 0.058 0.000 2.119 3267 Q HA -0.154 4.187 4.340 0.002 0.000 0.201 3267 Q C 2.160 178.198 176.000 0.064 0.000 0.972 3267 Q CA 0.960 56.791 55.803 0.047 0.000 0.847 3267 Q CB 0.076 28.837 28.738 0.039 0.000 0.903 3267 Q HN 0.322 nan 8.270 nan 0.000 0.433 3268 I N 0.292 120.933 120.570 0.119 0.000 2.202 3268 I HA -0.247 3.924 4.170 0.002 0.000 0.242 3268 I C 2.467 178.628 176.117 0.075 0.000 1.091 3268 I CA 0.848 62.230 61.300 0.137 0.000 1.368 3268 I CB -0.537 37.625 38.000 0.270 0.000 1.058 3268 I HN 0.220 nan 8.210 nan 0.000 0.410 3269 A N 1.535 124.410 122.820 0.092 0.000 1.884 3269 A HA -0.239 4.083 4.320 0.002 0.000 0.219 3269 A C 2.296 179.884 177.584 0.007 0.000 1.197 3269 A CA 1.934 53.988 52.037 0.028 0.000 0.637 3269 A CB -1.023 18.012 19.000 0.058 0.000 0.827 3269 A HN 0.401 nan 8.150 nan 0.000 0.450 3270 I N -0.633 119.949 120.570 0.020 0.000 2.179 3270 I HA -0.231 3.940 4.170 0.002 0.000 0.242 3270 I C 2.513 178.630 176.117 -0.000 0.000 1.088 3270 I CA 1.828 63.132 61.300 0.007 0.000 1.357 3270 I CB -0.872 37.133 38.000 0.009 0.000 1.051 3270 I HN 0.258 nan 8.210 nan 0.000 0.409 3271 T N 0.742 115.298 114.554 0.003 0.000 2.849 3271 T HA -0.120 4.231 4.350 0.002 0.000 0.270 3271 T C 1.683 176.377 174.700 -0.010 0.000 1.066 3271 T CA 1.359 63.455 62.100 -0.006 0.000 1.130 3271 T CB -0.222 68.642 68.868 -0.006 0.000 0.864 3271 T HN 0.500 nan 8.240 nan 0.000 0.481 3272 A N 0.280 123.090 122.820 -0.016 0.000 2.275 3272 A HA 0.554 4.876 4.320 0.002 0.000 0.212 3272 A C 1.703 179.270 177.584 -0.028 0.000 1.201 3272 A CA 0.513 52.531 52.037 -0.031 0.000 0.843 3272 A CB -0.513 18.449 19.000 -0.062 0.000 0.873 3272 A HN 0.686 nan 8.150 nan 0.000 0.492 3273 G N -1.386 107.402 108.800 -0.019 0.000 2.212 3273 G HA2 -0.227 3.734 3.960 0.002 0.000 0.255 3273 G HA3 -0.227 3.734 3.960 0.002 0.000 0.255 3273 G C 0.035 174.924 174.900 -0.019 0.000 1.062 3273 G CA 0.119 45.209 45.100 -0.016 0.000 0.815 3273 G HN 0.594 nan 8.290 nan 0.000 0.497 3274 c N -0.510 118.078 118.600 -0.019 0.000 2.470 3274 c HA 0.754 5.325 4.570 0.002 0.000 0.341 3274 c C 0.917 175.004 174.090 -0.005 0.000 1.190 3274 c CA -0.905 55.413 56.329 -0.019 0.000 1.904 3274 c CB 1.670 44.158 42.510 -0.037 0.000 2.354 3274 c HN 0.589 nan 8.230 nan 0.000 0.509 3275 K N 0.371 120.771 120.400 0.000 0.000 2.107 3275 K HA 0.421 4.742 4.320 0.002 0.000 0.251 3275 K C 0.611 177.218 176.600 0.011 0.000 1.012 3275 K CA 0.130 56.420 56.287 0.006 0.000 0.920 3275 K CB 0.577 33.082 32.500 0.008 0.000 1.033 3275 K HN 0.855 nan 8.250 nan 0.000 0.478 3276 T N -2.911 111.651 114.554 0.012 0.000 3.339 3276 T HA 0.079 4.431 4.350 0.002 0.000 0.292 3276 T C 0.897 175.603 174.700 0.009 0.000 1.012 3276 T CA -0.473 61.637 62.100 0.017 0.000 0.937 3276 T CB 0.121 69.001 68.868 0.021 0.000 1.164 3276 T HN 0.424 nan 8.240 nan 0.000 0.509 3277 T N 2.927 117.483 114.554 0.003 0.000 2.665 3277 T HA -0.040 4.311 4.350 0.002 0.000 0.268 3277 T C 1.174 175.869 174.700 -0.009 0.000 1.035 3277 T CA 2.044 64.142 62.100 -0.003 0.000 1.151 3277 T CB -0.382 68.482 68.868 -0.007 0.000 0.862 3277 T HN 0.868 nan 8.240 nan 0.000 0.438 3278 T N -2.497 112.046 114.554 -0.017 0.000 2.843 3278 T HA 0.508 4.859 4.350 0.002 0.000 0.302 3278 T C 0.931 175.609 174.700 -0.037 0.000 1.232 3278 T CA -0.390 61.690 62.100 -0.033 0.000 1.009 3278 T CB 1.721 70.547 68.868 -0.070 0.000 1.254 3278 T HN -0.162 nan 8.240 nan 0.000 0.504 3279 S N 0.699 116.378 115.700 -0.036 0.000 2.359 3279 S HA -0.135 4.336 4.470 0.002 0.000 0.222 3279 S C 2.545 177.111 174.600 -0.057 0.000 1.038 3279 S CA 1.840 60.043 58.200 0.004 0.000 1.051 3279 S CB -1.143 62.117 63.200 0.100 0.000 0.944 3279 S HN 1.018 nan 8.310 nan 0.000 0.433 3280 A N 1.117 123.752 122.820 -0.309 0.000 1.903 3280 A HA -0.148 4.173 4.320 0.002 0.000 0.219 3280 A C 2.373 179.915 177.584 -0.071 0.000 1.191 3280 A CA 2.063 53.928 52.037 -0.287 0.000 0.638 3280 A CB -1.187 17.523 19.000 -0.484 0.000 0.823 3280 A HN 0.357 nan 8.150 nan 0.000 0.451 3281 V N -0.080 119.796 119.914 -0.063 0.000 2.287 3281 V HA -0.366 3.755 4.120 0.002 0.000 0.248 3281 V C 2.671 178.791 176.094 0.043 0.000 1.053 3281 V CA 2.362 64.667 62.300 0.009 0.000 1.027 3281 V CB -0.746 31.074 31.823 -0.005 0.000 0.646 3281 V HN 0.592 nan 8.190 nan 0.000 0.447 3282 M N -0.508 119.109 119.600 0.027 0.000 2.065 3282 M HA -0.190 4.291 4.480 0.002 0.000 0.259 3282 M C 2.249 178.527 176.300 -0.037 0.000 1.069 3282 M CA 1.935 57.251 55.300 0.025 0.000 1.110 3282 M CB -0.698 31.966 32.600 0.107 0.000 1.328 3282 M HN 0.279 nan 8.290 nan 0.000 0.405 3283 V N -0.423 119.495 119.914 0.007 0.000 2.332 3283 V HA -0.312 3.809 4.120 0.002 0.000 0.248 3283 V C 2.286 178.383 176.094 0.004 0.000 1.055 3283 V CA 2.502 64.764 62.300 -0.064 0.000 1.038 3283 V CB -1.258 30.613 31.823 0.080 0.000 0.651 3283 V HN 0.501 nan 8.190 nan 0.000 0.450 3284 H N -0.623 118.432 119.070 -0.024 0.000 2.353 3284 H HA -0.205 4.352 4.556 0.002 0.000 0.300 3284 H C 2.365 177.684 175.328 -0.015 0.000 1.090 3284 H CA 2.210 58.254 56.048 -0.006 0.000 1.327 3284 H CB -0.656 29.098 29.762 -0.013 0.000 1.383 3284 H HN 0.456 nan 8.280 nan 0.000 0.508 3285 c N -0.032 118.517 118.600 -0.084 0.000 2.432 3285 c HA -0.092 4.479 4.570 0.002 0.000 0.277 3285 c C 2.810 176.808 174.090 -0.153 0.000 1.249 3285 c CA 1.092 57.336 56.329 -0.142 0.000 1.725 3285 c CB -1.441 41.036 42.510 -0.056 0.000 2.028 3285 c HN 0.666 nan 8.230 nan 0.000 0.477 3286 L N 0.343 121.477 121.223 -0.149 0.000 2.131 3286 L HA -0.108 4.233 4.340 0.002 0.000 0.210 3286 L C 2.939 179.821 176.870 0.021 0.000 1.092 3286 L CA 1.420 56.189 54.840 -0.118 0.000 0.759 3286 L CB -0.665 41.191 42.059 -0.339 0.000 0.903 3286 L HN 0.369 nan 8.230 nan 0.000 0.435 3287 R N -0.431 120.090 120.500 0.034 0.000 2.237 3287 R HA -0.116 4.225 4.340 0.002 0.000 0.219 3287 R C 2.082 178.323 176.300 -0.098 0.000 1.080 3287 R CA 0.637 56.737 56.100 -0.001 0.000 0.995 3287 R CB -0.054 30.250 30.300 0.006 0.000 0.875 3287 R HN 0.450 nan 8.270 nan 0.000 0.462 3288 Q N 0.602 120.308 119.800 -0.156 0.000 2.212 3288 Q HA 0.047 4.389 4.340 0.002 0.000 0.199 3288 Q C 0.384 176.334 176.000 -0.083 0.000 0.950 3288 Q CA 0.725 56.440 55.803 -0.147 0.000 0.863 3288 Q CB 0.114 28.733 28.738 -0.198 0.000 0.944 3288 Q HN 0.032 nan 8.270 nan 0.000 0.465 3289 K N 2.217 122.574 120.400 -0.072 0.000 2.440 3289 K HA 0.043 4.364 4.320 0.002 0.000 0.270 3289 K C 0.602 177.194 176.600 -0.014 0.000 0.980 3289 K CA 0.192 56.453 56.287 -0.043 0.000 0.953 3289 K CB 0.097 32.566 32.500 -0.052 0.000 0.925 3289 K HN 0.248 nan 8.250 nan 0.000 0.497 3290 T N -2.517 112.043 114.554 0.011 0.000 2.899 3290 T HA 0.073 4.424 4.350 0.002 0.000 0.284 3290 T C 1.298 176.060 174.700 0.104 0.000 1.004 3290 T CA -0.648 61.475 62.100 0.038 0.000 1.043 3290 T CB 1.287 70.173 68.868 0.030 0.000 1.013 3290 T HN 0.614 nan 8.240 nan 0.000 0.518 3291 E N 0.289 120.573 120.200 0.141 0.000 2.114 3291 E HA -0.299 4.052 4.350 0.002 0.000 0.199 3291 E C 1.751 178.519 176.600 0.280 0.000 1.008 3291 E CA 1.841 58.407 56.400 0.275 0.000 0.810 3291 E CB -0.092 29.668 29.700 0.102 0.000 0.739 3291 E HN 0.814 nan 8.360 nan 0.000 0.456 3292 E N 0.900 121.184 120.200 0.140 0.000 2.072 3292 E HA -0.186 4.165 4.350 0.002 0.000 0.191 3292 E C 1.770 178.441 176.600 0.117 0.000 0.985 3292 E CA 1.764 58.233 56.400 0.115 0.000 0.801 3292 E CB -0.084 29.651 29.700 0.059 0.000 0.750 3292 E HN 0.392 nan 8.360 nan 0.000 0.452 3293 E N 0.026 120.277 120.200 0.086 0.000 2.077 3293 E HA -0.151 4.200 4.350 0.002 0.000 0.193 3293 E C 2.203 178.835 176.600 0.054 0.000 0.989 3293 E CA 1.184 57.616 56.400 0.052 0.000 0.800 3293 E CB -0.193 29.518 29.700 0.020 0.000 0.746 3293 E HN 0.322 nan 8.360 nan 0.000 0.452 3294 L N 0.616 121.877 121.223 0.063 0.000 2.275 3294 L HA -0.133 4.208 4.340 0.002 0.000 0.215 3294 L C 2.448 179.368 176.870 0.083 0.000 1.119 3294 L CA 0.159 54.965 54.840 -0.057 0.000 0.790 3294 L CB -0.202 41.647 42.059 -0.349 0.000 0.919 3294 L HN 0.168 nan 8.230 nan 0.000 0.443 3295 L N -0.177 121.242 121.223 0.325 0.000 2.109 3295 L HA -0.132 4.210 4.340 0.002 0.000 0.207 3295 L C 2.386 179.376 176.870 0.200 0.000 1.086 3295 L CA 1.660 56.732 54.840 0.387 0.000 0.760 3295 L CB -0.353 41.889 42.059 0.305 0.000 0.910 3295 L HN 0.188 nan 8.230 nan 0.000 0.437 3296 E N -1.104 119.172 120.200 0.127 0.000 2.072 3296 E HA -0.165 4.186 4.350 0.002 0.000 0.191 3296 E C 1.898 178.534 176.600 0.061 0.000 0.985 3296 E CA 1.601 58.047 56.400 0.078 0.000 0.801 3296 E CB -0.292 29.439 29.700 0.050 0.000 0.750 3296 E HN 0.515 nan 8.360 nan 0.000 0.452 3297 T N 1.065 115.650 114.554 0.052 0.000 2.699 3297 T HA -0.168 4.183 4.350 0.002 0.000 0.268 3297 T C 2.052 176.788 174.700 0.060 0.000 1.036 3297 T CA 1.847 63.965 62.100 0.030 0.000 1.147 3297 T CB -0.517 68.353 68.868 0.003 0.000 0.862 3297 T HN 0.190 nan 8.240 nan 0.000 0.446 3298 T N 2.540 117.173 114.554 0.133 0.000 2.720 3298 T HA 0.006 4.357 4.350 0.002 0.000 0.268 3298 T C 1.988 176.773 174.700 0.141 0.000 1.037 3298 T CA 0.948 63.195 62.100 0.245 0.000 1.144 3298 T CB -0.493 68.577 68.868 0.336 0.000 0.864 3298 T HN 0.283 nan 8.240 nan 0.000 0.444 3299 L N 0.293 121.576 121.223 0.100 0.000 2.083 3299 L HA -0.090 4.251 4.340 0.002 0.000 0.209 3299 L C 2.669 179.527 176.870 -0.018 0.000 1.083 3299 L CA 1.351 56.221 54.840 0.050 0.000 0.752 3299 L CB -0.486 41.602 42.059 0.050 0.000 0.899 3299 L HN 0.244 nan 8.230 nan 0.000 0.433 3300 K N -0.309 120.073 120.400 -0.030 0.000 2.002 3300 K HA -0.148 4.173 4.320 0.002 0.000 0.209 3300 K C 2.143 178.653 176.600 -0.149 0.000 1.048 3300 K CA 1.268 57.515 56.287 -0.066 0.000 0.930 3300 K CB -0.142 32.331 32.500 -0.045 0.000 0.714 3300 K HN 0.169 nan 8.250 nan 0.000 0.438 3301 M N 1.085 120.539 119.600 -0.244 0.000 2.260 3301 M HA -0.138 4.343 4.480 0.002 0.000 0.261 3301 M C 0.181 176.126 176.300 -0.592 0.000 1.066 3301 M CA 1.346 56.331 55.300 -0.526 0.000 1.082 3301 M CB -0.862 31.147 32.600 -0.985 0.000 1.388 3301 M HN 0.141 nan 8.290 nan 0.000 0.419 3302 K N 0.280 120.456 120.400 -0.373 0.000 3.257 3302 K HA -0.185 4.136 4.320 0.002 0.000 0.270 3302 K C -0.446 176.045 176.600 -0.182 0.000 0.984 3302 K CA 0.108 56.274 56.287 -0.202 0.000 0.739 3302 K CB -2.288 30.131 32.500 -0.134 0.000 1.351 3302 K HN 0.180 nan 8.250 nan 0.000 0.463 3303 F N 0.161 120.134 119.950 0.039 0.000 2.456 3303 F HA 0.129 4.657 4.527 0.002 0.000 0.306 3303 F C 2.285 178.108 175.800 0.037 0.000 1.278 3303 F CA 0.283 58.306 58.000 0.040 0.000 1.264 3303 F CB 0.220 39.254 39.000 0.056 0.000 1.253 3303 F HN 0.138 nan 8.300 nan 0.000 0.554 3304 L N -1.539 119.837 121.223 0.255 0.000 5.051 3304 L HA -0.292 4.049 4.340 0.002 0.000 0.432 3304 L C -0.215 176.720 176.870 0.109 0.000 1.055 3304 L CA 0.513 55.443 54.840 0.149 0.000 1.095 3304 L CB -2.039 40.095 42.059 0.125 0.000 1.957 3304 L HN 0.468 nan 8.230 nan 0.000 0.727 3305 S N 0.299 116.055 115.700 0.094 0.000 2.552 3305 S HA 0.609 5.080 4.470 0.002 0.000 0.314 3305 S C -0.348 174.277 174.600 0.042 0.000 1.099 3305 S CA -0.580 57.655 58.200 0.058 0.000 1.070 3305 S CB 2.338 65.553 63.200 0.025 0.000 0.998 3305 S HN 0.218 nan 8.310 nan 0.000 0.474 3306 L N 3.862 125.111 121.223 0.043 0.000 2.433 3306 L HA 0.260 4.601 4.340 0.002 0.000 0.275 3306 L C 0.013 176.848 176.870 -0.058 0.000 1.128 3306 L CA 0.071 54.907 54.840 -0.006 0.000 0.875 3306 L CB 0.126 42.149 42.059 -0.061 0.000 1.171 3306 L HN 0.536 nan 8.230 nan 0.000 0.463 3307 D N 3.548 123.915 120.400 -0.055 0.000 2.389 3307 D HA 0.066 4.707 4.640 0.002 0.000 0.247 3307 D C 0.838 177.089 176.300 -0.083 0.000 1.128 3307 D CA 0.258 54.219 54.000 -0.065 0.000 0.884 3307 D CB 0.889 41.651 40.800 -0.064 0.000 1.194 3307 D HN 0.584 nan 8.370 nan 0.000 0.441 3308 L N 1.948 123.128 121.223 -0.071 0.000 2.253 3308 L HA 0.045 4.386 4.340 0.002 0.000 0.205 3308 L C 1.426 178.271 176.870 -0.041 0.000 1.078 3308 L CA 0.205 55.006 54.840 -0.065 0.000 0.805 3308 L CB -0.356 41.669 42.059 -0.056 0.000 0.963 3308 L HN 0.539 nan 8.230 nan 0.000 0.459 3309 Q N 0.412 120.192 119.800 -0.034 0.000 2.293 3309 Q HA 0.529 4.870 4.340 0.002 0.000 0.216 3309 Q C 0.436 176.421 176.000 -0.026 0.000 1.003 3309 Q CA 0.177 55.969 55.803 -0.017 0.000 0.995 3309 Q CB 1.040 29.771 28.738 -0.012 0.000 1.172 3309 Q HN 0.123 nan 8.270 nan 0.000 0.518 3310 G N 0.529 109.323 108.800 -0.010 0.000 2.645 3310 G HA2 -0.253 3.708 3.960 0.002 0.000 0.239 3310 G HA3 -0.253 3.708 3.960 0.002 0.000 0.239 3310 G C -1.073 173.818 174.900 -0.016 0.000 1.331 3310 G CA 0.057 45.148 45.100 -0.015 0.000 0.890 3310 G HN 0.823 nan 8.290 nan 0.000 0.572 3311 D N 0.911 121.289 120.400 -0.037 0.000 2.313 3311 D HA 0.460 5.101 4.640 0.002 0.000 0.239 3311 D C -1.012 175.176 176.300 -0.187 0.000 1.142 3311 D CA -1.690 52.274 54.000 -0.060 0.000 0.847 3311 D CB 1.434 42.212 40.800 -0.036 0.000 1.082 3311 D HN -0.009 nan 8.370 nan 0.000 0.480 3312 P HA -0.094 nan 4.420 nan 0.000 0.218 3312 P C 0.756 177.806 177.300 -0.416 0.000 1.146 3312 P CA 1.004 63.783 63.100 -0.535 0.000 0.813 3312 P CB 0.248 31.236 31.700 -1.187 0.000 0.778 3313 R N -0.666 119.539 120.500 -0.492 0.000 2.313 3313 R HA 0.069 4.410 4.340 0.002 0.000 0.199 3313 R C 1.284 177.519 176.300 -0.109 0.000 0.958 3313 R CA 0.545 56.441 56.100 -0.340 0.000 1.047 3313 R CB -0.129 29.894 30.300 -0.460 0.000 0.955 3313 R HN 0.346 nan 8.270 nan 0.000 0.481 3314 E N -0.525 119.614 120.200 -0.102 0.000 2.562 3314 E HA 0.119 4.470 4.350 0.002 0.000 0.214 3314 E C -0.398 176.179 176.600 -0.037 0.000 0.979 3314 E CA -0.071 56.298 56.400 -0.051 0.000 1.002 3314 E CB 1.084 30.754 29.700 -0.050 0.000 1.048 3314 E HN -0.018 nan 8.360 nan 0.000 0.488 3315 S N 2.403 118.075 115.700 -0.047 0.000 3.530 3315 S HA 0.071 4.542 4.470 0.002 0.000 0.279 3315 S C -0.014 174.592 174.600 0.010 0.000 1.280 3315 S CA -0.220 57.960 58.200 -0.032 0.000 0.946 3315 S CB 0.044 63.212 63.200 -0.053 0.000 1.501 3315 S HN 0.159 nan 8.310 nan 0.000 0.498 3316 Q N 4.839 124.659 119.800 0.033 0.000 2.239 3316 Q HA 0.076 4.417 4.340 0.002 0.000 0.286 3316 Q C -1.059 175.035 176.000 0.155 0.000 1.102 3316 Q CA -1.201 54.657 55.803 0.091 0.000 0.936 3316 Q CB 0.651 29.467 28.738 0.131 0.000 1.127 3316 Q HN 0.257 nan 8.270 nan 0.000 0.380 3317 P HA -0.075 nan 4.420 nan 0.000 0.215 3317 P C -0.626 176.845 177.300 0.285 0.000 1.157 3317 P CA 1.041 64.235 63.100 0.157 0.000 0.863 3317 P CB 0.167 31.900 31.700 0.056 0.000 0.787 3318 L N -5.134 116.183 121.223 0.157 0.000 2.789 3318 L HA 0.358 4.699 4.340 0.002 0.000 0.254 3318 L C -0.823 175.913 176.870 -0.224 0.000 0.952 3318 L CA -1.101 53.660 54.840 -0.131 0.000 0.942 3318 L CB 0.150 42.119 42.059 -0.150 0.000 1.502 3318 L HN -0.283 nan 8.230 nan 0.000 0.425 3319 L N 1.623 122.598 121.223 -0.414 0.000 2.490 3319 L HA 0.713 5.054 4.340 0.002 0.000 0.274 3319 L C 0.949 177.675 176.870 -0.240 0.000 1.201 3319 L CA 0.822 55.550 54.840 -0.186 0.000 0.869 3319 L CB 0.018 42.029 42.059 -0.079 0.000 1.123 3319 L HN 1.032 nan 8.230 nan 0.000 0.484 3320 G N 1.273 109.958 108.800 -0.192 0.000 2.947 3320 G HA2 0.378 4.339 3.960 0.002 0.000 0.293 3320 G HA3 0.378 4.339 3.960 0.002 0.000 0.293 3320 G C -0.972 173.835 174.900 -0.154 0.000 1.243 3320 G CA -0.477 44.394 45.100 -0.382 0.000 0.802 3320 G HN 0.403 nan 8.290 nan 0.000 0.560 3321 T N 0.800 115.294 114.554 -0.099 0.000 2.902 3321 T HA 0.429 4.780 4.350 0.002 0.000 0.301 3321 T C 0.617 175.323 174.700 0.009 0.000 1.012 3321 T CA 0.374 62.539 62.100 0.108 0.000 1.151 3321 T CB 0.750 69.665 68.868 0.079 0.000 0.946 3321 T HN 1.220 nan 8.240 nan 0.000 0.542 3322 V N 0.513 120.434 119.914 0.011 0.000 3.181 3322 V HA 0.628 4.750 4.120 0.002 0.000 0.314 3322 V C -0.386 175.667 176.094 -0.068 0.000 1.173 3322 V CA -1.272 60.998 62.300 -0.050 0.000 1.052 3322 V CB 1.686 33.465 31.823 -0.074 0.000 1.123 3322 V HN 0.594 nan 8.190 nan 0.000 0.454 3323 I N 3.135 123.659 120.570 -0.077 0.000 2.325 3323 I HA 0.245 4.416 4.170 0.002 0.000 0.285 3323 I C 1.028 177.096 176.117 -0.081 0.000 1.128 3323 I CA -0.122 61.130 61.300 -0.080 0.000 1.261 3323 I CB -0.468 37.489 38.000 -0.073 0.000 1.529 3323 I HN 0.940 nan 8.210 nan 0.000 0.557 3324 D N 2.909 123.253 120.400 -0.093 0.000 2.218 3324 D HA -0.147 4.495 4.640 0.002 0.000 0.204 3324 D C 1.556 177.815 176.300 -0.069 0.000 0.976 3324 D CA 1.367 55.308 54.000 -0.099 0.000 0.853 3324 D CB 0.168 40.885 40.800 -0.138 0.000 0.939 3324 D HN 0.619 nan 8.370 nan 0.000 0.481 3325 G N -0.659 108.105 108.800 -0.060 0.000 2.194 3325 G HA2 -0.277 3.684 3.960 0.002 0.000 0.236 3325 G HA3 -0.277 3.684 3.960 0.002 0.000 0.236 3325 G C 0.976 175.858 174.900 -0.030 0.000 0.987 3325 G CA 0.578 45.652 45.100 -0.043 0.000 0.635 3325 G HN 0.264 nan 8.290 nan 0.000 0.520 3326 M N -1.137 118.444 119.600 -0.031 0.000 2.940 3326 M HA 0.441 4.923 4.480 0.002 0.000 0.248 3326 M C 2.309 178.604 176.300 -0.009 0.000 1.379 3326 M CA 1.118 56.413 55.300 -0.008 0.000 1.262 3326 M CB -1.121 31.482 32.600 0.005 0.000 1.201 3326 M HN 0.235 nan 8.290 nan 0.000 0.553 3327 L N 0.557 121.764 121.223 -0.028 0.000 2.068 3327 L HA 0.169 4.510 4.340 0.002 0.000 0.204 3327 L C 0.293 177.121 176.870 -0.069 0.000 1.076 3327 L CA 1.264 56.084 54.840 -0.034 0.000 0.753 3327 L CB 0.261 42.295 42.059 -0.043 0.000 0.910 3327 L HN 0.102 nan 8.230 nan 0.000 0.439 3328 L N 0.101 121.272 121.223 -0.087 0.000 2.349 3328 L HA 0.248 4.590 4.340 0.002 0.000 0.278 3328 L C 0.390 177.207 176.870 -0.088 0.000 0.996 3328 L CA -0.405 54.370 54.840 -0.108 0.000 0.825 3328 L CB 1.891 43.875 42.059 -0.125 0.000 1.243 3328 L HN 0.100 nan 8.230 nan 0.000 0.412 3329 L N 2.871 124.039 121.223 -0.091 0.000 2.395 3329 L HA 0.067 4.408 4.340 0.002 0.000 0.218 3329 L C 0.495 177.322 176.870 -0.071 0.000 1.130 3329 L CA 0.825 55.623 54.840 -0.071 0.000 0.826 3329 L CB -0.379 41.640 42.059 -0.066 0.000 0.941 3329 L HN 0.646 nan 8.230 nan 0.000 0.451 3330 K N -2.097 118.253 120.400 -0.085 0.000 2.735 3330 K HA 0.276 4.597 4.320 0.002 0.000 0.295 3330 K C -0.518 176.032 176.600 -0.084 0.000 1.052 3330 K CA -0.765 55.477 56.287 -0.075 0.000 0.853 3330 K CB 0.402 32.863 32.500 -0.065 0.000 1.535 3330 K HN -0.149 nan 8.250 nan 0.000 0.383 3331 T N -1.492 113.018 114.554 -0.073 0.000 2.939 3331 T HA 0.062 4.413 4.350 0.002 0.000 0.319 3331 T C -1.805 172.848 174.700 -0.079 0.000 1.082 3331 T CA -0.561 61.494 62.100 -0.075 0.000 1.133 3331 T CB 0.224 69.054 68.868 -0.064 0.000 1.019 3331 T HN 0.323 nan 8.240 nan 0.000 0.548 3332 P HA -0.155 nan 4.420 nan 0.000 0.216 3332 P C 1.409 178.675 177.300 -0.056 0.000 1.157 3332 P CA 1.352 64.405 63.100 -0.078 0.000 0.880 3332 P CB 0.027 31.682 31.700 -0.076 0.000 0.791 3333 E N -0.027 120.145 120.200 -0.046 0.000 2.049 3333 E HA -0.229 4.122 4.350 0.002 0.000 0.198 3333 E C 1.922 178.505 176.600 -0.028 0.000 1.007 3333 E CA 1.586 57.968 56.400 -0.029 0.000 0.809 3333 E CB -1.014 28.670 29.700 -0.027 0.000 0.749 3333 E HN 0.467 nan 8.360 nan 0.000 0.450 3334 E N 0.445 120.622 120.200 -0.039 0.000 2.051 3334 E HA -0.166 4.185 4.350 0.002 0.000 0.192 3334 E C 2.261 178.833 176.600 -0.047 0.000 0.991 3334 E CA 1.017 57.394 56.400 -0.038 0.000 0.799 3334 E CB -0.295 29.378 29.700 -0.044 0.000 0.748 3334 E HN 0.194 nan 8.360 nan 0.000 0.449 3335 L N 1.362 122.543 121.223 -0.070 0.000 1.989 3335 L HA -0.272 4.069 4.340 0.002 0.000 0.211 3335 L C 2.883 179.711 176.870 -0.069 0.000 1.071 3335 L CA 1.806 56.586 54.840 -0.100 0.000 0.749 3335 L CB -0.816 41.153 42.059 -0.150 0.000 0.890 3335 L HN 0.240 nan 8.230 nan 0.000 0.431 3336 Q N 0.351 120.129 119.800 -0.037 0.000 2.439 3336 Q HA -0.105 4.237 4.340 0.002 0.000 0.211 3336 Q C 1.570 177.579 176.000 0.015 0.000 0.978 3336 Q CA 1.153 56.959 55.803 0.007 0.000 0.897 3336 Q CB -0.310 28.446 28.738 0.031 0.000 0.956 3336 Q HN 0.446 nan 8.270 nan 0.000 0.483 3337 A N 1.344 124.164 122.820 0.000 0.000 2.310 3337 A HA 0.024 4.346 4.320 0.002 0.000 0.230 3337 A C 0.141 177.730 177.584 0.007 0.000 1.294 3337 A CA -0.022 52.020 52.037 0.007 0.000 0.898 3337 A CB -0.069 18.932 19.000 0.001 0.000 0.917 3337 A HN 0.415 nan 8.150 nan 0.000 0.491 3338 E N -0.437 119.769 120.200 0.009 0.000 2.314 3338 E HA 0.475 4.827 4.350 0.002 0.000 0.272 3338 E C -0.966 175.658 176.600 0.039 0.000 0.884 3338 E CA -0.741 55.670 56.400 0.018 0.000 0.753 3338 E CB 1.161 30.866 29.700 0.008 0.000 1.213 3338 E HN 0.080 nan 8.360 nan 0.000 0.432 3339 R N 2.123 122.649 120.500 0.043 0.000 2.633 3339 R HA 0.290 4.631 4.340 0.002 0.000 0.348 3339 R C -0.727 175.612 176.300 0.066 0.000 1.100 3339 R CA -0.054 56.075 56.100 0.048 0.000 1.068 3339 R CB -0.033 30.282 30.300 0.025 0.000 1.351 3339 R HN 0.311 nan 8.270 nan 0.000 0.575 3340 N N 0.436 119.193 118.700 0.095 0.000 2.990 3340 N HA 0.288 5.029 4.740 0.002 0.000 0.288 3340 N C -1.403 174.242 175.510 0.225 0.000 1.624 3340 N CA -0.253 52.862 53.050 0.108 0.000 0.961 3340 N CB 0.482 39.016 38.487 0.077 0.000 1.259 3340 N HN 0.010 nan 8.380 nan 0.000 0.489 3341 F N -0.612 119.342 119.950 0.007 0.000 2.817 3341 F HA 0.290 4.818 4.527 0.002 0.000 0.317 3341 F C -0.870 174.966 175.800 0.061 0.000 1.168 3341 F CA -1.049 56.966 58.000 0.025 0.000 0.911 3341 F CB 1.135 40.147 39.000 0.020 0.000 1.337 3341 F HN 0.133 nan 8.300 nan 0.000 0.464 3342 H N 1.584 120.101 119.070 -0.921 0.000 2.819 3342 H HA 0.438 4.996 4.556 0.002 0.000 0.303 3342 H C -0.723 174.470 175.328 -0.225 0.000 1.058 3342 H CA 0.291 55.995 56.048 -0.573 0.000 1.471 3342 H CB 0.712 30.017 29.762 -0.762 0.000 1.480 3342 H HN 0.638 nan 8.280 nan 0.000 0.517 3343 T N 2.615 117.152 114.554 -0.029 0.000 2.888 3343 T HA 0.533 4.884 4.350 0.002 0.000 0.284 3343 T C -0.061 174.563 174.700 -0.127 0.000 1.017 3343 T CA -0.693 61.369 62.100 -0.064 0.000 1.022 3343 T CB 1.689 70.521 68.868 -0.060 0.000 1.013 3343 T HN 0.441 nan 8.240 nan 0.000 0.465 3344 V N -1.720 118.189 119.914 -0.009 0.000 3.159 3344 V HA 0.769 4.890 4.120 0.002 0.000 0.308 3344 V C -3.276 172.974 176.094 0.260 0.000 1.190 3344 V CA -3.339 58.965 62.300 0.007 0.000 1.037 3344 V CB 1.412 33.128 31.823 -0.178 0.000 1.060 3344 V HN 0.654 nan 8.190 nan 0.000 0.437 3345 P HA 0.174 nan 4.420 nan 0.000 0.263 3345 P C -1.469 176.169 177.300 0.564 0.000 1.195 3345 P CA 0.686 64.002 63.100 0.360 0.000 0.762 3345 P CB -0.203 31.509 31.700 0.020 0.000 0.799 3346 Y N 3.728 124.241 120.300 0.354 0.000 2.361 3346 Y HA 0.540 5.092 4.550 0.002 0.000 0.337 3346 Y C -0.550 175.326 175.900 -0.040 0.000 0.965 3346 Y CA -1.439 56.671 58.100 0.017 0.000 1.091 3346 Y CB 1.514 39.522 38.460 -0.753 0.000 1.182 3346 Y HN 0.191 nan 8.280 nan 0.000 0.450 3347 M N 7.890 127.416 119.600 -0.122 0.000 2.078 3347 M HA 0.454 4.935 4.480 0.002 0.000 0.320 3347 M C -2.171 173.841 176.300 -0.480 0.000 0.969 3347 M CA -0.746 54.249 55.300 -0.508 0.000 0.929 3347 M CB 0.891 32.847 32.600 -1.072 0.000 1.504 3347 M HN 0.415 nan 8.290 nan 0.000 0.419 3348 V N 4.522 124.111 119.914 -0.541 0.000 2.384 3348 V HA 0.863 4.984 4.120 0.002 0.000 0.287 3348 V C 0.361 176.146 176.094 -0.516 0.000 1.020 3348 V CA -0.541 61.435 62.300 -0.541 0.000 0.850 3348 V CB 1.331 32.754 31.823 -0.667 0.000 0.987 3348 V HN 0.976 nan 8.190 nan 0.000 0.436 3349 G N 4.041 112.475 108.800 -0.612 0.000 2.680 3349 G HA2 0.910 4.871 3.960 0.002 0.000 0.290 3349 G HA3 0.910 4.871 3.960 0.002 0.000 0.290 3349 G C -1.152 173.374 174.900 -0.623 0.000 1.355 3349 G CA -0.695 43.664 45.100 -1.235 0.000 0.903 3349 G HN 0.893 nan 8.290 nan 0.000 0.474 3350 I N -2.649 117.636 120.570 -0.475 0.000 3.279 3350 I HA 0.676 4.847 4.170 0.002 0.000 0.315 3350 I C -1.476 174.695 176.117 0.090 0.000 1.187 3350 I CA -1.415 59.822 61.300 -0.105 0.000 0.953 3350 I CB 2.501 40.463 38.000 -0.063 0.000 1.279 3350 I HN 0.255 nan 8.210 nan 0.000 0.465 3351 N N 1.490 120.265 118.700 0.124 0.000 2.384 3351 N HA 0.342 5.084 4.740 0.002 0.000 0.301 3351 N C 0.212 175.823 175.510 0.168 0.000 1.133 3351 N CA -0.814 52.376 53.050 0.234 0.000 0.853 3351 N CB 1.844 40.477 38.487 0.243 0.000 1.241 3351 N HN 0.599 nan 8.380 nan 0.000 0.502 3352 K N 0.647 121.158 120.400 0.184 0.000 2.034 3352 K HA -0.149 4.172 4.320 0.002 0.000 0.214 3352 K C -0.213 176.464 176.600 0.129 0.000 1.051 3352 K CA 1.873 58.241 56.287 0.135 0.000 0.931 3352 K CB 0.038 32.606 32.500 0.115 0.000 0.715 3352 K HN 0.612 nan 8.250 nan 0.000 0.446 3353 Q N 0.227 120.113 119.800 0.143 0.000 2.700 3353 Q HA 0.126 4.467 4.340 0.002 0.000 0.249 3353 Q C -0.168 175.921 176.000 0.148 0.000 1.033 3353 Q CA -0.373 55.517 55.803 0.145 0.000 0.804 3353 Q CB 1.568 30.390 28.738 0.140 0.000 1.164 3353 Q HN 0.115 nan 8.270 nan 0.000 0.500 3354 E N 0.589 120.862 120.200 0.121 0.000 2.110 3354 E HA -0.144 4.207 4.350 0.002 0.000 0.193 3354 E C 0.367 177.044 176.600 0.128 0.000 0.988 3354 E CA 1.191 57.611 56.400 0.032 0.000 0.804 3354 E CB 0.173 29.753 29.700 -0.199 0.000 0.745 3354 E HN 0.496 nan 8.360 nan 0.000 0.458 3355 F N 0.410 120.364 119.950 0.006 0.000 2.837 3355 F HA 0.264 4.792 4.527 0.002 0.000 0.298 3355 F C 1.625 177.429 175.800 0.006 0.000 1.161 3355 F CA -0.354 57.626 58.000 -0.034 0.000 1.353 3355 F CB 0.385 39.337 39.000 -0.080 0.000 0.951 3355 F HN -0.063 nan 8.300 nan 0.000 0.508 3356 G N 0.557 109.396 108.800 0.065 0.000 2.453 3356 G HA2 -0.300 3.662 3.960 0.002 0.000 0.215 3356 G HA3 -0.300 3.662 3.960 0.002 0.000 0.215 3356 G C 1.024 175.988 174.900 0.108 0.000 1.201 3356 G CA 1.471 46.631 45.100 0.100 0.000 0.784 3356 G HN 0.643 nan 8.290 nan 0.000 0.545 3357 W N -1.339 119.891 121.300 -0.117 0.000 5.371 3357 W HA 0.318 4.979 4.660 0.002 0.000 0.169 3357 W C 1.784 178.221 176.519 -0.136 0.000 1.184 3357 W CA 0.232 57.507 57.345 -0.117 0.000 1.946 3357 W CB -0.565 28.876 29.460 -0.032 0.000 0.602 3357 W HN 0.067 nan 8.180 nan 0.000 1.086 3358 L N 2.244 123.352 121.223 -0.192 0.000 1.951 3358 L HA -0.231 4.110 4.340 0.002 0.000 0.222 3358 L C 2.226 178.809 176.870 -0.478 0.000 1.078 3358 L CA 3.005 57.583 54.840 -0.436 0.000 0.778 3358 L CB -1.334 40.786 42.059 0.102 0.000 0.893 3358 L HN 0.230 nan 8.230 nan 0.000 0.436 3359 I N -0.646 119.720 120.570 -0.340 0.000 2.118 3359 I HA -0.281 3.890 4.170 0.002 0.000 0.241 3359 I C -0.217 175.628 176.117 -0.454 0.000 1.070 3359 I CA 1.770 62.873 61.300 -0.328 0.000 1.327 3359 I CB -1.899 35.979 38.000 -0.203 0.000 1.034 3359 I HN 0.310 nan 8.210 nan 0.000 0.405 3360 P HA -0.172 nan 4.420 nan 0.000 0.214 3360 P C 1.192 178.294 177.300 -0.330 0.000 1.163 3360 P CA 1.131 63.827 63.100 -0.675 0.000 0.883 3360 P CB -0.106 31.071 31.700 -0.871 0.000 0.788 3364 M N 0.083 119.689 119.600 0.010 0.000 2.595 3364 M HA 0.143 4.624 4.480 0.002 0.000 0.248 3364 M C 0.259 176.635 176.300 0.126 0.000 1.119 3364 M CA 0.415 55.786 55.300 0.118 0.000 1.079 3364 M CB 0.278 33.035 32.600 0.263 0.000 1.472 3364 M HN 0.249 nan 8.290 nan 0.000 0.501 3365 S N 0.311 116.064 115.700 0.088 0.000 3.866 3365 S HA -0.156 4.315 4.470 0.002 0.000 0.427 3365 S C -0.662 174.009 174.600 0.118 0.000 0.891 3365 S CA 0.060 58.303 58.200 0.072 0.000 1.275 3365 S CB -1.883 61.334 63.200 0.029 0.000 0.872 3365 S HN 0.413 nan 8.310 nan 0.000 0.562 3366 Y N 1.154 121.462 120.300 0.014 0.000 2.377 3366 Y HA 0.320 4.871 4.550 0.002 0.000 0.330 3366 Y C -1.562 174.377 175.900 0.065 0.000 1.108 3366 Y CA -1.544 56.600 58.100 0.074 0.000 1.308 3366 Y CB 0.495 39.026 38.460 0.118 0.000 1.216 3366 Y HN 0.118 nan 8.280 nan 0.000 0.518 3367 P HA 0.073 nan 4.420 nan 0.000 0.262 3367 P C -0.019 177.346 177.300 0.108 0.000 1.647 3367 P CA 0.791 63.927 63.100 0.061 0.000 0.865 3367 P CB -0.297 31.400 31.700 -0.004 0.000 1.834 3368 L N -0.815 120.507 121.223 0.166 0.000 2.857 3368 L HA 0.068 4.410 4.340 0.002 0.000 0.249 3368 L C 1.986 178.927 176.870 0.119 0.000 1.172 3368 L CA 0.198 55.133 54.840 0.158 0.000 0.980 3368 L CB -0.220 41.978 42.059 0.232 0.000 1.299 3368 L HN 0.112 nan 8.230 nan 0.000 0.535 3369 S N -0.688 115.072 115.700 0.099 0.000 2.440 3369 S HA -0.202 4.269 4.470 0.002 0.000 0.240 3369 S C 1.646 176.288 174.600 0.070 0.000 1.014 3369 S CA 0.970 59.220 58.200 0.084 0.000 0.980 3369 S CB -0.121 63.119 63.200 0.068 0.000 0.775 3369 S HN 0.395 nan 8.310 nan 0.000 0.499 3370 E N 1.312 121.550 120.200 0.062 0.000 2.085 3370 E HA -0.043 4.308 4.350 0.002 0.000 0.194 3370 E C 1.911 178.542 176.600 0.053 0.000 0.994 3370 E CA 1.319 57.749 56.400 0.049 0.000 0.801 3370 E CB -0.831 28.893 29.700 0.040 0.000 0.743 3370 E HN 0.797 nan 8.360 nan 0.000 0.453 3371 G N 0.178 109.019 108.800 0.067 0.000 2.307 3371 G HA2 -0.193 3.768 3.960 0.002 0.000 0.210 3371 G HA3 -0.193 3.768 3.960 0.002 0.000 0.210 3371 G C 0.335 175.277 174.900 0.070 0.000 1.005 3371 G CA 0.405 45.546 45.100 0.068 0.000 0.634 3371 G HN 0.312 nan 8.290 nan 0.000 0.496 3372 Q N -0.352 119.485 119.800 0.060 0.000 2.683 3372 Q HA 0.909 5.251 4.340 0.002 0.000 0.302 3372 Q C -1.607 174.419 176.000 0.043 0.000 1.042 3372 Q CA -1.108 54.730 55.803 0.057 0.000 0.773 3372 Q CB 2.110 30.874 28.738 0.044 0.000 1.508 3372 Q HN 0.925 nan 8.270 nan 0.000 0.459 3373 L N 1.002 122.243 121.223 0.031 0.000 2.556 3373 L HA 0.483 4.824 4.340 0.002 0.000 0.257 3373 L C -2.033 174.833 176.870 -0.006 0.000 0.955 3373 L CA -0.174 54.660 54.840 -0.011 0.000 0.850 3373 L CB 2.245 44.269 42.059 -0.058 0.000 1.398 3373 L HN 0.908 nan 8.230 nan 0.000 0.412 3374 D N 2.356 122.741 120.400 -0.024 0.000 2.350 3374 D HA 0.235 4.876 4.640 0.002 0.000 0.238 3374 D C 0.024 176.316 176.300 -0.013 0.000 0.989 3374 D CA -0.497 53.499 54.000 -0.006 0.000 0.921 3374 D CB 1.412 42.211 40.800 -0.001 0.000 1.297 3374 D HN 0.508 nan 8.370 nan 0.000 0.490 3375 Q N 0.794 120.601 119.800 0.013 0.000 2.156 3375 Q HA -0.226 4.115 4.340 0.002 0.000 0.211 3375 Q C 1.679 177.688 176.000 0.015 0.000 0.995 3375 Q CA 1.873 57.691 55.803 0.026 0.000 0.877 3375 Q CB -0.222 28.537 28.738 0.035 0.000 0.920 3375 Q HN 0.583 nan 8.270 nan 0.000 0.416 3376 K N -0.469 119.934 120.400 0.005 0.000 2.001 3376 K HA -0.058 4.263 4.320 0.002 0.000 0.208 3376 K C 2.203 178.799 176.600 -0.007 0.000 1.048 3376 K CA 1.597 57.886 56.287 0.004 0.000 0.932 3376 K CB -0.173 32.329 32.500 0.003 0.000 0.715 3376 K HN 0.129 nan 8.250 nan 0.000 0.437 3377 T N 1.136 115.672 114.554 -0.029 0.000 2.962 3377 T HA -0.063 4.288 4.350 0.002 0.000 0.270 3377 T C 1.861 176.492 174.700 -0.114 0.000 1.088 3377 T CA 1.004 63.074 62.100 -0.051 0.000 1.127 3377 T CB -0.150 68.683 68.868 -0.058 0.000 0.883 3377 T HN 0.304 nan 8.240 nan 0.000 0.493 3378 A N 2.014 124.745 122.820 -0.148 0.000 1.845 3378 A HA -0.027 4.294 4.320 0.002 0.000 0.215 3378 A C 2.296 179.855 177.584 -0.043 0.000 1.195 3378 A CA 1.386 53.254 52.037 -0.281 0.000 0.616 3378 A CB -0.724 18.197 19.000 -0.131 0.000 0.832 3378 A HN 0.423 nan 8.150 nan 0.000 0.443 3379 M N -0.247 119.391 119.600 0.064 0.000 2.346 3379 M HA -0.145 4.336 4.480 0.002 0.000 0.263 3379 M C 2.432 178.838 176.300 0.175 0.000 1.064 3379 M CA 1.561 56.948 55.300 0.144 0.000 1.083 3379 M CB -0.367 32.289 32.600 0.093 0.000 1.399 3379 M HN 0.593 nan 8.290 nan 0.000 0.435 3380 S N 0.911 116.680 115.700 0.115 0.000 2.335 3380 S HA -0.061 4.410 4.470 0.002 0.000 0.217 3380 S C 1.792 176.518 174.600 0.209 0.000 1.032 3380 S CA 0.887 59.178 58.200 0.153 0.000 0.985 3380 S CB -0.165 63.079 63.200 0.074 0.000 0.896 3380 S HN 0.431 nan 8.310 nan 0.000 0.445 3381 L N 0.880 122.177 121.223 0.123 0.000 2.042 3381 L HA -0.100 4.241 4.340 0.002 0.000 0.210 3381 L C 2.537 179.639 176.870 0.388 0.000 1.076 3381 L CA 1.103 56.053 54.840 0.183 0.000 0.749 3381 L CB -0.486 41.631 42.059 0.097 0.000 0.893 3381 L HN 0.374 nan 8.230 nan 0.000 0.432 3382 L N -0.713 120.813 121.223 0.505 0.000 2.127 3382 L HA -0.281 4.060 4.340 0.002 0.000 0.211 3382 L C 2.120 179.253 176.870 0.437 0.000 1.089 3382 L CA 1.794 56.947 54.840 0.522 0.000 0.757 3382 L CB -0.645 41.730 42.059 0.527 0.000 0.899 3382 L HN 0.371 nan 8.230 nan 0.000 0.434 3383 W N 0.570 121.990 121.300 0.201 0.000 2.408 3383 W HA -0.235 4.427 4.660 0.002 0.000 0.311 3383 W C 2.128 178.743 176.519 0.161 0.000 1.190 3383 W CA 1.277 58.724 57.345 0.168 0.000 1.321 3383 W CB 0.014 29.533 29.460 0.100 0.000 1.143 3383 W HN 0.077 nan 8.180 nan 0.000 0.501 3384 K N 0.414 120.823 120.400 0.017 0.000 2.360 3384 K HA -0.089 4.233 4.320 0.002 0.000 0.201 3384 K C 1.585 178.134 176.600 -0.085 0.000 1.046 3384 K CA 1.342 57.538 56.287 -0.153 0.000 0.945 3384 K CB -0.271 32.190 32.500 -0.065 0.000 0.750 3384 K HN -0.089 nan 8.250 nan 0.000 0.464 3385 S N 0.488 116.218 115.700 0.049 0.000 2.710 3385 S HA 0.006 4.477 4.470 0.002 0.000 0.224 3385 S C 0.890 175.500 174.600 0.015 0.000 0.948 3385 S CA -0.312 57.943 58.200 0.091 0.000 0.949 3385 S CB -0.285 63.048 63.200 0.222 0.000 0.778 3385 S HN 0.309 nan 8.310 nan 0.000 0.498 3386 Y N 3.981 124.172 120.300 -0.182 0.000 2.114 3386 Y HA -0.132 4.420 4.550 0.002 0.000 0.282 3386 Y C -0.835 174.967 175.900 -0.165 0.000 1.165 3386 Y CA 1.630 59.596 58.100 -0.223 0.000 1.148 3386 Y CB -1.066 37.094 38.460 -0.499 0.000 0.972 3386 Y HN 0.246 nan 8.280 nan 0.000 0.504 3387 P HA -0.140 nan 4.420 nan 0.000 0.236 3387 P C 0.926 178.135 177.300 -0.152 0.000 1.172 3387 P CA 1.525 64.566 63.100 -0.097 0.000 0.759 3387 P CB -0.042 31.651 31.700 -0.011 0.000 0.843 3388 L N -1.138 119.979 121.223 -0.176 0.000 2.547 3388 L HA 0.064 4.405 4.340 0.002 0.000 0.218 3388 L C 2.314 179.012 176.870 -0.286 0.000 1.048 3388 L CA 0.433 55.152 54.840 -0.201 0.000 0.859 3388 L CB 0.030 41.996 42.059 -0.154 0.000 1.128 3388 L HN -0.192 nan 8.230 nan 0.000 0.483 3389 V N -5.800 113.942 119.914 -0.287 0.000 3.523 3389 V HA 0.141 4.262 4.120 0.002 0.000 0.255 3389 V C 1.066 176.989 176.094 -0.285 0.000 1.226 3389 V CA -0.516 61.619 62.300 -0.274 0.000 1.092 3389 V CB -0.069 31.624 31.823 -0.217 0.000 0.817 3389 V HN 0.433 nan 8.190 nan 0.000 0.458 3390 C N 1.680 120.650 119.300 -0.549 0.000 3.896 3390 C HA -0.160 4.301 4.460 0.002 0.000 0.300 3390 C C 0.429 175.122 174.990 -0.496 0.000 1.322 3390 C CA 0.176 58.633 59.018 -0.935 0.000 2.130 3390 C CB -2.883 24.451 27.740 -0.675 0.000 1.363 3390 C HN 0.652 nan 8.230 nan 0.000 0.642 3391 I N 1.279 121.790 120.570 -0.098 0.000 2.330 3391 I HA 0.487 4.658 4.170 0.002 0.000 0.289 3391 I C 0.981 177.420 176.117 0.537 0.000 1.001 3391 I CA -0.070 61.402 61.300 0.287 0.000 1.193 3391 I CB 1.138 39.398 38.000 0.432 0.000 1.345 3391 I HN 0.541 nan 8.210 nan 0.000 0.461 3392 A N 5.817 128.885 122.820 0.414 0.000 2.587 3392 A HA -0.053 4.268 4.320 0.002 0.000 0.233 3392 A C 1.453 179.226 177.584 0.315 0.000 1.049 3392 A CA 0.179 52.455 52.037 0.398 0.000 0.754 3392 A CB 0.129 19.248 19.000 0.199 0.000 0.977 3392 A HN 0.922 nan 8.150 nan 0.000 0.509 3393 K N 0.721 121.169 120.400 0.080 0.000 2.280 3393 K HA -0.169 4.153 4.320 0.002 0.000 0.202 3393 K C 1.627 178.127 176.600 -0.168 0.000 1.047 3393 K CA 1.798 57.858 56.287 -0.379 0.000 0.942 3393 K CB -0.024 31.768 32.500 -1.180 0.000 0.739 3393 K HN 0.899 nan 8.250 nan 0.000 0.457 3394 E N 0.111 120.278 120.200 -0.056 0.000 2.285 3394 E HA -0.137 4.215 4.350 0.002 0.000 0.194 3394 E C 1.620 178.242 176.600 0.038 0.000 0.997 3394 E CA 0.588 56.975 56.400 -0.023 0.000 0.845 3394 E CB -0.050 29.645 29.700 -0.009 0.000 0.782 3394 E HN 0.331 nan 8.360 nan 0.000 0.491 3395 L N 0.552 121.835 121.223 0.101 0.000 2.416 3395 L HA 0.026 4.368 4.340 0.002 0.000 0.216 3395 L C 2.300 179.276 176.870 0.177 0.000 1.098 3395 L CA -0.192 54.736 54.840 0.148 0.000 0.840 3395 L CB -0.201 41.995 42.059 0.228 0.000 0.981 3395 L HN 0.074 nan 8.230 nan 0.000 0.462 3396 I N 0.918 121.599 120.570 0.185 0.000 2.113 3396 I HA -0.248 3.923 4.170 0.002 0.000 0.242 3396 I C 0.025 176.243 176.117 0.168 0.000 1.057 3396 I CA 2.239 63.666 61.300 0.211 0.000 1.314 3396 I CB -2.394 35.710 38.000 0.172 0.000 1.022 3396 I HN 0.174 nan 8.210 nan 0.000 0.408 3397 P HA -0.191 nan 4.420 nan 0.000 0.213 3397 P C 1.793 179.157 177.300 0.107 0.000 1.170 3397 P CA 1.589 64.742 63.100 0.088 0.000 0.902 3397 P CB -0.043 31.686 31.700 0.049 0.000 0.789 3398 E N -0.655 119.610 120.200 0.107 0.000 2.070 3398 E HA -0.250 4.101 4.350 0.002 0.000 0.197 3398 E C 1.968 178.675 176.600 0.178 0.000 1.004 3398 E CA 1.429 57.905 56.400 0.126 0.000 0.805 3398 E CB -0.593 29.172 29.700 0.108 0.000 0.744 3398 E HN 0.040 nan 8.360 nan 0.000 0.451 3399 A N 0.241 123.177 122.820 0.194 0.000 1.865 3399 A HA -0.221 4.100 4.320 0.002 0.000 0.217 3399 A C 2.412 180.107 177.584 0.185 0.000 1.191 3399 A CA 2.336 54.486 52.037 0.188 0.000 0.623 3399 A CB -1.180 17.986 19.000 0.277 0.000 0.826 3399 A HN 0.371 nan 8.150 nan 0.000 0.444 3400 T N -0.345 114.333 114.554 0.207 0.000 2.665 3400 T HA -0.192 4.159 4.350 0.002 0.000 0.268 3400 T C 1.904 176.711 174.700 0.178 0.000 1.035 3400 T CA 1.841 64.072 62.100 0.218 0.000 1.151 3400 T CB -0.312 68.671 68.868 0.192 0.000 0.862 3400 T HN 0.606 nan 8.240 nan 0.000 0.438 3401 E N 1.323 121.598 120.200 0.125 0.000 2.077 3401 E HA -0.125 4.227 4.350 0.002 0.000 0.193 3401 E C 2.074 178.699 176.600 0.042 0.000 0.989 3401 E CA 1.313 57.760 56.400 0.079 0.000 0.800 3401 E CB -0.272 29.463 29.700 0.059 0.000 0.746 3401 E HN 0.278 nan 8.360 nan 0.000 0.452 3402 K N -1.153 119.251 120.400 0.007 0.000 2.209 3402 K HA -0.133 4.188 4.320 0.002 0.000 0.204 3402 K C 1.373 177.900 176.600 -0.121 0.000 1.048 3402 K CA 1.342 57.522 56.287 -0.177 0.000 0.940 3402 K CB -0.315 31.828 32.500 -0.594 0.000 0.729 3402 K HN 0.247 nan 8.250 nan 0.000 0.451 3403 Y N -0.871 119.358 120.300 -0.119 0.000 2.422 3403 Y HA 0.230 4.781 4.550 0.002 0.000 0.291 3403 Y C 1.546 177.465 175.900 0.032 0.000 1.144 3403 Y CA 0.559 58.642 58.100 -0.029 0.000 1.208 3403 Y CB 0.264 38.763 38.460 0.065 0.000 1.195 3403 Y HN -0.141 nan 8.280 nan 0.000 0.535 3404 L N -1.161 120.201 121.223 0.231 0.000 2.529 3404 L HA 0.190 4.531 4.340 0.002 0.000 0.223 3404 L C 2.205 179.129 176.870 0.090 0.000 1.113 3404 L CA 0.690 55.628 54.840 0.164 0.000 0.861 3404 L CB -0.723 41.446 42.059 0.183 0.000 1.012 3404 L HN 0.248 nan 8.230 nan 0.000 0.461 3405 G N 0.624 109.463 108.800 0.065 0.000 2.564 3405 G HA2 -0.077 3.885 3.960 0.002 0.000 0.216 3405 G HA3 -0.077 3.885 3.960 0.002 0.000 0.216 3405 G C 1.108 176.017 174.900 0.016 0.000 1.124 3405 G CA 0.612 45.731 45.100 0.032 0.000 0.764 3405 G HN 0.454 nan 8.290 nan 0.000 0.550 3406 G N 0.423 109.232 108.800 0.015 0.000 2.820 3406 G HA2 0.295 4.257 3.960 0.002 0.000 0.158 3406 G HA3 0.295 4.257 3.960 0.002 0.000 0.158 3406 G C 0.846 175.755 174.900 0.016 0.000 1.715 3406 G CA 0.642 45.745 45.100 0.005 0.000 1.057 3406 G HN 0.584 nan 8.290 nan 0.000 0.525 3407 T N -0.775 113.790 114.554 0.019 0.000 2.906 3407 T HA 0.048 4.399 4.350 0.002 0.000 0.329 3407 T C 0.310 175.027 174.700 0.028 0.000 1.091 3407 T CA 0.610 62.723 62.100 0.022 0.000 1.127 3407 T CB 0.661 69.544 68.868 0.024 0.000 1.035 3407 T HN 0.374 nan 8.240 nan 0.000 0.547 3408 D N -0.448 119.967 120.400 0.024 0.000 2.340 3408 D HA 0.000 4.642 4.640 0.002 0.000 0.220 3408 D C 0.277 176.594 176.300 0.028 0.000 1.039 3408 D CA 0.032 54.047 54.000 0.025 0.000 0.866 3408 D CB 0.022 40.833 40.800 0.019 0.000 0.913 3408 D HN 0.639 nan 8.370 nan 0.000 0.523 3409 D N 2.029 122.447 120.400 0.031 0.000 2.363 3409 D HA -0.051 4.590 4.640 0.002 0.000 0.263 3409 D C 1.644 177.969 176.300 0.042 0.000 1.258 3409 D CA 0.204 54.224 54.000 0.033 0.000 0.907 3409 D CB 1.133 41.953 40.800 0.034 0.000 1.107 3409 D HN 0.058 nan 8.370 nan 0.000 0.495 3410 T N 0.646 115.222 114.554 0.037 0.000 2.759 3410 T HA -0.177 4.174 4.350 0.002 0.000 0.269 3410 T C 1.973 176.704 174.700 0.052 0.000 1.042 3410 T CA 1.253 63.377 62.100 0.040 0.000 1.140 3410 T CB -0.361 68.525 68.868 0.030 0.000 0.864 3410 T HN 0.232 nan 8.240 nan 0.000 0.455 3411 V N 1.774 121.719 119.914 0.051 0.000 2.427 3411 V HA -0.106 4.015 4.120 0.002 0.000 0.248 3411 V C 2.748 178.889 176.094 0.078 0.000 1.051 3411 V CA 1.831 64.168 62.300 0.061 0.000 1.048 3411 V CB -0.628 31.225 31.823 0.050 0.000 0.666 3411 V HN 0.535 nan 8.190 nan 0.000 0.456 3412 K N 0.144 120.587 120.400 0.072 0.000 2.155 3412 K HA -0.087 4.235 4.320 0.002 0.000 0.203 3412 K C 2.188 178.857 176.600 0.114 0.000 1.052 3412 K CA 0.918 57.255 56.287 0.084 0.000 0.948 3412 K CB -0.175 32.364 32.500 0.064 0.000 0.728 3412 K HN 0.416 nan 8.250 nan 0.000 0.448 3413 K N 1.210 121.676 120.400 0.110 0.000 2.152 3413 K HA -0.165 4.157 4.320 0.002 0.000 0.206 3413 K C 2.134 178.859 176.600 0.207 0.000 1.048 3413 K CA 1.036 57.408 56.287 0.143 0.000 0.933 3413 K CB -0.014 32.547 32.500 0.101 0.000 0.721 3413 K HN 0.086 nan 8.250 nan 0.000 0.447 3414 K N 1.305 121.812 120.400 0.178 0.000 2.025 3414 K HA -0.179 4.142 4.320 0.002 0.000 0.207 3414 K C 1.347 178.130 176.600 0.304 0.000 1.049 3414 K CA 1.703 58.133 56.287 0.238 0.000 0.933 3414 K CB 0.043 32.647 32.500 0.172 0.000 0.714 3414 K HN 0.042 nan 8.250 nan 0.000 0.438 3415 D N 1.190 121.720 120.400 0.218 0.000 2.084 3415 D HA -0.156 4.485 4.640 0.002 0.000 0.194 3415 D C 2.112 178.553 176.300 0.234 0.000 0.990 3415 D CA 1.022 55.143 54.000 0.202 0.000 0.826 3415 D CB -0.300 40.587 40.800 0.144 0.000 0.971 3415 D HN 0.214 nan 8.370 nan 0.000 0.453 3416 L N 0.036 121.399 121.223 0.234 0.000 2.127 3416 L HA -0.190 4.151 4.340 0.002 0.000 0.211 3416 L C 2.399 179.487 176.870 0.363 0.000 1.089 3416 L CA 0.671 55.675 54.840 0.274 0.000 0.757 3416 L CB -0.372 41.830 42.059 0.237 0.000 0.899 3416 L HN -0.014 nan 8.230 nan 0.000 0.434 3417 F N 0.644 120.715 119.950 0.202 0.000 2.146 3417 F HA -0.181 4.347 4.527 0.002 0.000 0.298 3417 F C 2.149 178.053 175.800 0.172 0.000 1.096 3417 F CA 1.404 59.510 58.000 0.178 0.000 1.275 3417 F CB -0.199 38.903 39.000 0.171 0.000 1.008 3417 F HN -0.127 nan 8.300 nan 0.000 0.480 3418 L N -0.136 121.201 121.223 0.189 0.000 2.191 3418 L HA -0.199 4.143 4.340 0.002 0.000 0.212 3418 L C 1.947 178.881 176.870 0.107 0.000 1.103 3418 L CA 1.152 56.088 54.840 0.161 0.000 0.769 3418 L CB -0.728 41.481 42.059 0.250 0.000 0.908 3418 L HN 0.113 nan 8.230 nan 0.000 0.438 3419 D N -0.255 120.236 120.400 0.152 0.000 2.194 3419 D HA -0.129 4.512 4.640 0.002 0.000 0.204 3419 D C 2.169 178.555 176.300 0.142 0.000 0.964 3419 D CA 0.590 54.713 54.000 0.205 0.000 0.846 3419 D CB 0.084 41.065 40.800 0.301 0.000 0.962 3419 D HN 0.125 nan 8.370 nan 0.000 0.490 3420 L N 1.467 122.663 121.223 -0.045 0.000 1.970 3420 L HA -0.172 4.169 4.340 0.002 0.000 0.212 3420 L C 2.251 178.841 176.870 -0.467 0.000 1.071 3420 L CA 1.514 56.046 54.840 -0.514 0.000 0.751 3420 L CB -0.979 40.772 42.059 -0.514 0.000 0.889 3420 L HN -0.011 nan 8.230 nan 0.000 0.432 3421 I N 0.227 120.467 120.570 -0.550 0.000 2.142 3421 I HA -0.288 3.883 4.170 0.002 0.000 0.240 3421 I C 2.780 178.621 176.117 -0.461 0.000 1.078 3421 I CA 1.314 62.221 61.300 -0.655 0.000 1.343 3421 I CB -0.668 36.689 38.000 -1.071 0.000 1.046 3421 I HN 0.321 nan 8.210 nan 0.000 0.405 3422 A N 0.435 123.129 122.820 -0.210 0.000 1.986 3422 A HA -0.280 4.041 4.320 0.002 0.000 0.220 3422 A C 1.946 179.567 177.584 0.061 0.000 1.171 3422 A CA 2.303 54.394 52.037 0.090 0.000 0.640 3422 A CB -0.624 18.490 19.000 0.190 0.000 0.811 3422 A HN 0.406 nan 8.150 nan 0.000 0.451 3423 D N -0.548 119.812 120.400 -0.066 0.000 2.123 3423 D HA -0.059 4.582 4.640 0.002 0.000 0.200 3423 D C 2.083 178.170 176.300 -0.356 0.000 0.976 3423 D CA 1.460 55.403 54.000 -0.095 0.000 0.831 3423 D CB -0.275 40.563 40.800 0.064 0.000 0.974 3423 D HN 0.255 nan 8.370 nan 0.000 0.469 3424 V N 0.972 120.511 119.914 -0.626 0.000 2.548 3424 V HA -0.161 3.960 4.120 0.002 0.000 0.249 3424 V C 2.385 178.173 176.094 -0.511 0.000 1.055 3424 V CA 1.111 62.957 62.300 -0.756 0.000 1.065 3424 V CB -0.337 30.951 31.823 -0.891 0.000 0.681 3424 V HN 0.203 nan 8.190 nan 0.000 0.462 3425 M N -1.715 117.575 119.600 -0.517 0.000 2.357 3425 M HA 0.121 4.603 4.480 0.002 0.000 0.266 3425 M C 1.754 177.495 176.300 -0.931 0.000 1.095 3425 M CA 1.875 56.712 55.300 -0.772 0.000 1.156 3425 M CB -0.025 31.962 32.600 -1.021 0.000 1.365 3425 M HN 0.389 nan 8.290 nan 0.000 0.447 3426 F N -1.467 118.403 119.950 -0.133 0.000 2.421 3426 F HA 0.362 4.890 4.527 0.002 0.000 0.270 3426 F C 2.357 178.097 175.800 -0.099 0.000 0.894 3426 F CA 0.151 58.104 58.000 -0.079 0.000 1.128 3426 F CB -1.331 37.666 39.000 -0.004 0.000 1.011 3426 F HN 0.032 nan 8.300 nan 0.000 0.788 3427 G N 1.501 110.372 108.800 0.118 0.000 2.777 3427 G HA2 -0.259 3.703 3.960 0.002 0.000 0.217 3427 G HA3 -0.259 3.703 3.960 0.002 0.000 0.217 3427 G C 1.672 176.553 174.900 -0.032 0.000 1.295 3427 G CA 2.285 47.401 45.100 0.027 0.000 0.800 3427 G HN 0.160 nan 8.290 nan 0.000 0.637 3428 V N 2.338 122.213 119.914 -0.065 0.000 2.287 3428 V HA -0.140 3.981 4.120 0.002 0.000 0.248 3428 V C 0.437 176.491 176.094 -0.067 0.000 1.053 3428 V CA 2.404 64.671 62.300 -0.055 0.000 1.027 3428 V CB -1.516 30.247 31.823 -0.099 0.000 0.646 3428 V HN 0.319 nan 8.190 nan 0.000 0.447 3429 P HA -0.114 nan 4.420 nan 0.000 0.215 3429 P C 2.076 179.329 177.300 -0.077 0.000 1.157 3429 P CA 1.987 65.033 63.100 -0.090 0.000 0.868 3429 P CB -0.127 31.492 31.700 -0.135 0.000 0.788 3430 S N -0.696 114.954 115.700 -0.084 0.000 2.359 3430 S HA -0.128 4.343 4.470 0.002 0.000 0.224 3430 S C 2.030 176.522 174.600 -0.179 0.000 1.035 3430 S CA 1.434 59.557 58.200 -0.128 0.000 1.018 3430 S CB -1.351 61.772 63.200 -0.129 0.000 0.876 3430 S HN -0.057 nan 8.310 nan 0.000 0.448 3431 V N 2.191 122.012 119.914 -0.154 0.000 2.343 3431 V HA -0.163 3.958 4.120 0.002 0.000 0.247 3431 V C 2.075 178.129 176.094 -0.066 0.000 1.051 3431 V CA 1.505 63.708 62.300 -0.161 0.000 1.036 3431 V CB -0.729 31.048 31.823 -0.077 0.000 0.654 3431 V HN 0.448 nan 8.190 nan 0.000 0.451 3432 I N -0.278 120.278 120.570 -0.024 0.000 2.208 3432 I HA -0.245 3.927 4.170 0.002 0.000 0.245 3432 I C 2.389 178.518 176.117 0.021 0.000 1.097 3432 I CA 1.398 62.708 61.300 0.017 0.000 1.363 3432 I CB -0.523 37.485 38.000 0.015 0.000 1.051 3432 I HN 0.160 nan 8.210 nan 0.000 0.413 3433 V N 1.071 120.976 119.914 -0.014 0.000 2.295 3433 V HA -0.303 3.818 4.120 0.002 0.000 0.246 3433 V C 2.764 178.874 176.094 0.027 0.000 1.049 3433 V CA 2.023 64.332 62.300 0.015 0.000 1.024 3433 V CB -1.072 30.744 31.823 -0.013 0.000 0.648 3433 V HN 0.509 nan 8.190 nan 0.000 0.447 3434 A N -0.023 122.736 122.820 -0.103 0.000 1.908 3434 A HA -0.264 4.057 4.320 0.002 0.000 0.218 3434 A C 2.373 180.039 177.584 0.135 0.000 1.181 3434 A CA 2.100 54.048 52.037 -0.148 0.000 0.627 3434 A CB -0.520 18.147 19.000 -0.556 0.000 0.818 3434 A HN 0.529 nan 8.150 nan 0.000 0.445 3435 R N -0.422 120.199 120.500 0.201 0.000 2.070 3435 R HA -0.104 4.237 4.340 0.002 0.000 0.233 3435 R C 1.996 178.407 176.300 0.187 0.000 1.137 3435 R CA 1.464 57.736 56.100 0.286 0.000 0.945 3435 R CB -0.424 30.007 30.300 0.219 0.000 0.845 3435 R HN 0.544 nan 8.270 nan 0.000 0.430 3436 N N 0.154 118.943 118.700 0.148 0.000 2.166 3436 N HA -0.191 4.551 4.740 0.002 0.000 0.186 3436 N C 1.720 177.323 175.510 0.155 0.000 1.019 3436 N CA 1.315 54.440 53.050 0.126 0.000 0.856 3436 N CB -0.310 38.240 38.487 0.104 0.000 0.993 3436 N HN 0.353 nan 8.380 nan 0.000 0.426 3437 H N 1.285 120.430 119.070 0.124 0.000 2.423 3437 H HA 0.042 4.599 4.556 0.002 0.000 0.297 3437 H C 2.285 177.692 175.328 0.132 0.000 1.075 3437 H CA 1.435 57.578 56.048 0.157 0.000 1.342 3437 H CB 0.163 30.069 29.762 0.240 0.000 1.395 3437 H HN 0.096 nan 8.280 nan 0.000 0.530 3438 R N 0.322 120.941 120.500 0.198 0.000 2.061 3438 R HA -0.115 4.226 4.340 0.002 0.000 0.230 3438 R C 1.300 177.625 176.300 0.042 0.000 1.140 3438 R CA 1.839 58.013 56.100 0.124 0.000 0.940 3438 R CB -0.187 30.221 30.300 0.179 0.000 0.839 3438 R HN 0.385 nan 8.270 nan 0.000 0.429 3439 D N 0.628 121.060 120.400 0.054 0.000 2.265 3439 D HA -0.147 4.494 4.640 0.002 0.000 0.208 3439 D C 1.576 177.880 176.300 0.007 0.000 0.977 3439 D CA 1.220 55.237 54.000 0.028 0.000 0.871 3439 D CB -0.093 40.730 40.800 0.038 0.000 0.925 3439 D HN 0.441 nan 8.370 nan 0.000 0.485 3440 A N 0.101 122.914 122.820 -0.011 0.000 2.014 3440 A HA 0.252 4.574 4.320 0.002 0.000 0.218 3440 A C 1.900 179.452 177.584 -0.053 0.000 1.163 3440 A CA 1.625 53.640 52.037 -0.036 0.000 0.652 3440 A CB -0.141 18.813 19.000 -0.077 0.000 0.808 3440 A HN 0.320 nan 8.150 nan 0.000 0.449 3441 G N -2.938 105.823 108.800 -0.066 0.000 2.141 3441 G HA2 0.300 4.261 3.960 0.002 0.000 0.164 3441 G HA3 0.300 4.261 3.960 0.002 0.000 0.164 3441 G C 0.065 174.926 174.900 -0.064 0.000 1.009 3441 G CA 0.098 45.169 45.100 -0.047 0.000 0.677 3441 G HN 1.526 nan 8.290 nan 0.000 0.508 3442 A N -0.047 122.692 122.820 -0.136 0.000 2.355 3442 A HA 0.910 5.231 4.320 0.002 0.000 0.324 3442 A C -2.631 174.988 177.584 0.059 0.000 1.117 3442 A CA -1.778 50.200 52.037 -0.099 0.000 0.785 3442 A CB 1.377 20.192 19.000 -0.309 0.000 1.254 3442 A HN 0.030 nan 8.150 nan 0.000 0.453 3443 P HA 0.117 nan 4.420 nan 0.000 0.257 3443 P C -0.458 177.007 177.300 0.274 0.000 1.189 3443 P CA 0.993 64.197 63.100 0.173 0.000 0.780 3443 P CB 0.290 32.140 31.700 0.250 0.000 0.772 3444 T N 3.727 118.327 114.554 0.076 0.000 2.856 3444 T HA 0.565 4.916 4.350 0.002 0.000 0.283 3444 T C -0.823 173.726 174.700 -0.252 0.000 1.008 3444 T CA -0.215 61.950 62.100 0.108 0.000 0.997 3444 T CB 0.766 69.780 68.868 0.245 0.000 0.992 3444 T HN 0.113 nan 8.240 nan 0.000 0.454 3445 Y N 0.960 121.232 120.300 -0.047 0.000 2.504 3445 Y HA 0.635 5.187 4.550 0.002 0.000 0.344 3445 Y C -0.117 175.728 175.900 -0.092 0.000 1.023 3445 Y CA -1.044 56.990 58.100 -0.109 0.000 1.020 3445 Y CB 2.010 40.139 38.460 -0.553 0.000 1.282 3445 Y HN 0.384 nan 8.280 nan 0.000 0.454 3446 M N 3.310 123.115 119.600 0.343 0.000 2.619 3446 M HA 0.566 5.047 4.480 0.002 0.000 0.297 3446 M C -1.579 175.023 176.300 0.504 0.000 1.229 3446 M CA -0.994 54.392 55.300 0.144 0.000 0.860 3446 M CB 3.257 35.720 32.600 -0.229 0.000 1.741 3446 M HN 0.764 nan 8.290 nan 0.000 0.462 3447 Y N -1.472 118.984 120.300 0.260 0.000 2.670 3447 Y HA 0.699 5.250 4.550 0.002 0.000 0.334 3447 Y C -1.576 174.426 175.900 0.170 0.000 1.185 3447 Y CA -1.024 57.206 58.100 0.217 0.000 1.053 3447 Y CB 1.522 40.065 38.460 0.139 0.000 1.298 3447 Y HN 0.694 nan 8.280 nan 0.000 0.459 3448 E N 2.366 122.831 120.200 0.442 0.000 2.373 3448 E HA 0.267 4.618 4.350 0.002 0.000 0.251 3448 E C -2.090 174.756 176.600 0.410 0.000 0.923 3448 E CA -0.739 55.855 56.400 0.324 0.000 0.798 3448 E CB 0.881 30.713 29.700 0.220 0.000 1.303 3448 E HN 0.627 nan 8.360 nan 0.000 0.412 3449 F N 3.525 123.706 119.950 0.384 0.000 2.506 3449 F HA 0.106 4.634 4.527 0.002 0.000 0.371 3449 F C 0.057 175.971 175.800 0.191 0.000 1.078 3449 F CA 0.558 58.712 58.000 0.256 0.000 1.195 3449 F CB 0.743 39.903 39.000 0.266 0.000 1.099 3449 F HN 0.468 nan 8.300 nan 0.000 0.548 3450 Q N 7.214 126.844 119.800 -0.283 0.000 2.771 3450 Q HA 0.245 4.586 4.340 0.002 0.000 0.247 3450 Q C -2.172 173.688 176.000 -0.234 0.000 0.986 3450 Q CA -0.568 55.152 55.803 -0.139 0.000 0.713 3450 Q CB 0.767 29.482 28.738 -0.038 0.000 1.241 3450 Q HN 0.795 nan 8.270 nan 0.000 0.488 3451 Y N 0.621 120.679 120.300 -0.403 0.000 2.565 3451 Y HA 0.357 4.908 4.550 0.002 0.000 0.330 3451 Y C -1.896 174.003 175.900 -0.002 0.000 1.150 3451 Y CA -0.875 57.055 58.100 -0.284 0.000 1.055 3451 Y CB 1.488 39.638 38.460 -0.517 0.000 1.337 3451 Y HN 0.442 nan 8.280 nan 0.000 0.457 3452 R N 6.921 127.067 120.500 -0.590 0.000 2.247 3452 R HA 0.460 4.801 4.340 0.002 0.000 0.329 3452 R C -2.735 173.320 176.300 -0.409 0.000 1.014 3452 R CA -2.040 53.866 56.100 -0.323 0.000 0.907 3452 R CB 0.814 30.934 30.300 -0.300 0.000 1.146 3452 R HN 0.421 nan 8.270 nan 0.000 0.499 3453 P HA -0.048 nan 4.420 nan 0.000 0.267 3453 P C 0.187 177.281 177.300 -0.345 0.000 1.200 3453 P CA 0.139 63.211 63.100 -0.048 0.000 0.772 3453 P CB 1.323 33.046 31.700 0.038 0.000 0.855 3454 S N 1.076 116.425 115.700 -0.586 0.000 2.515 3454 S HA -0.059 4.413 4.470 0.002 0.000 0.231 3454 S C 1.156 175.339 174.600 -0.694 0.000 0.987 3454 S CA 0.353 58.163 58.200 -0.651 0.000 0.936 3454 S CB -1.057 61.700 63.200 -0.739 0.000 0.766 3454 S HN 0.393 nan 8.310 nan 0.000 0.528 3455 F N 2.341 122.043 119.950 -0.413 0.000 2.731 3455 F HA 0.390 4.918 4.527 0.002 0.000 0.304 3455 F C 1.312 176.853 175.800 -0.433 0.000 1.133 3455 F CA -0.558 57.150 58.000 -0.487 0.000 1.380 3455 F CB -0.496 38.025 39.000 -0.800 0.000 1.079 3455 F HN 0.034 nan 8.300 nan 0.000 0.550 3456 S N -0.069 115.487 115.700 -0.240 0.000 2.606 3456 S HA 0.093 4.564 4.470 0.002 0.000 0.257 3456 S C 0.601 175.142 174.600 -0.099 0.000 1.327 3456 S CA -0.604 57.523 58.200 -0.121 0.000 0.984 3456 S CB 0.775 63.882 63.200 -0.155 0.000 0.941 3456 S HN 0.318 nan 8.310 nan 0.000 0.576 3457 S N -0.157 115.476 115.700 -0.112 0.000 2.593 3457 S HA 0.070 4.541 4.470 0.002 0.000 0.269 3457 S C 0.706 175.162 174.600 -0.241 0.000 1.334 3457 S CA -0.507 57.614 58.200 -0.132 0.000 1.015 3457 S CB 0.209 63.344 63.200 -0.109 0.000 0.912 3457 S HN 0.631 nan 8.310 nan 0.000 0.541 3458 D N 2.479 122.788 120.400 -0.151 0.000 2.224 3458 D HA -0.034 4.607 4.640 0.002 0.000 0.205 3458 D C 1.357 177.539 176.300 -0.198 0.000 0.965 3458 D CA 1.157 55.067 54.000 -0.151 0.000 0.852 3458 D CB -0.001 40.752 40.800 -0.078 0.000 0.947 3458 D HN 0.623 nan 8.370 nan 0.000 0.494 3459 M N 0.457 119.931 119.600 -0.209 0.000 2.561 3459 M HA 0.028 4.509 4.480 0.002 0.000 0.238 3459 M C 0.860 176.806 176.300 -0.591 0.000 1.131 3459 M CA 0.280 55.470 55.300 -0.183 0.000 1.046 3459 M CB 0.231 32.896 32.600 0.110 0.000 1.532 3459 M HN -0.259 nan 8.290 nan 0.000 0.497 3460 K N 3.324 123.120 120.400 -1.007 0.000 2.227 3460 K HA 0.286 4.607 4.320 0.002 0.000 0.280 3460 K C -2.381 173.836 176.600 -0.638 0.000 1.041 3460 K CA -1.747 53.670 56.287 -1.451 0.000 0.905 3460 K CB 1.049 32.732 32.500 -1.362 0.000 1.068 3460 K HN -0.096 nan 8.250 nan 0.000 0.470 3461 P HA 0.015 nan 4.420 nan 0.000 0.268 3461 P C -0.585 176.601 177.300 -0.190 0.000 1.205 3461 P CA 0.048 63.018 63.100 -0.215 0.000 0.771 3461 P CB 0.705 32.343 31.700 -0.103 0.000 0.858 3462 K N 0.860 121.170 120.400 -0.150 0.000 2.504 3462 K HA -0.030 4.292 4.320 0.002 0.000 0.195 3462 K C 1.440 177.977 176.600 -0.105 0.000 1.036 3462 K CA 1.240 57.444 56.287 -0.139 0.000 0.984 3462 K CB -0.410 32.015 32.500 -0.125 0.000 0.788 3462 K HN 0.578 nan 8.250 nan 0.000 0.488 3463 T N -0.918 113.590 114.554 -0.075 0.000 3.014 3463 T HA 0.027 4.379 4.350 0.002 0.000 0.263 3463 T C 0.970 175.655 174.700 -0.025 0.000 1.078 3463 T CA -0.016 62.059 62.100 -0.042 0.000 1.135 3463 T CB -0.010 68.848 68.868 -0.017 0.000 0.895 3463 T HN -0.168 nan 8.240 nan 0.000 0.480 3464 V N 3.094 122.993 119.914 -0.024 0.000 2.415 3464 V HA 0.312 4.433 4.120 0.002 0.000 0.267 3464 V C -0.001 176.097 176.094 0.006 0.000 1.042 3464 V CA -0.383 61.928 62.300 0.019 0.000 1.000 3464 V CB -0.211 31.648 31.823 0.060 0.000 1.015 3464 V HN 0.424 nan 8.190 nan 0.000 0.478 3465 I N 3.776 124.360 120.570 0.023 0.000 2.404 3465 I HA 0.596 4.768 4.170 0.002 0.000 0.293 3465 I C 1.027 177.197 176.117 0.090 0.000 0.992 3465 I CA -0.522 60.784 61.300 0.010 0.000 1.149 3465 I CB 1.694 39.673 38.000 -0.034 0.000 1.315 3465 I HN 0.779 nan 8.210 nan 0.000 0.446 3466 G N 3.711 112.605 108.800 0.156 0.000 2.324 3466 G HA2 -0.225 3.736 3.960 0.002 0.000 0.292 3466 G HA3 -0.225 3.736 3.960 0.002 0.000 0.292 3466 G C -0.377 174.678 174.900 0.258 0.000 1.079 3466 G CA -0.081 45.188 45.100 0.282 0.000 1.026 3466 G HN 0.737 nan 8.290 nan 0.000 0.506 3467 D N -0.827 119.727 120.400 0.256 0.000 2.348 3467 D HA 0.400 5.041 4.640 0.002 0.000 0.249 3467 D C 0.912 177.377 176.300 0.275 0.000 1.110 3467 D CA -0.668 53.485 54.000 0.256 0.000 0.967 3467 D CB 0.458 41.432 40.800 0.290 0.000 1.139 3467 D HN 0.344 nan 8.370 nan 0.000 0.466 3468 H N 0.028 119.178 119.070 0.133 0.000 3.167 3468 H HA 0.226 4.783 4.556 0.002 0.000 0.306 3468 H C 1.417 176.869 175.328 0.205 0.000 0.965 3468 H CA 2.026 58.128 56.048 0.090 0.000 1.408 3468 H CB 0.011 29.817 29.762 0.074 0.000 1.406 3468 H HN 0.605 nan 8.280 nan 0.000 0.576 3469 G N 4.174 112.832 108.800 -0.237 0.000 2.184 3469 G HA2 -0.347 3.614 3.960 0.002 0.000 0.264 3469 G HA3 -0.347 3.614 3.960 0.002 0.000 0.264 3469 G C 1.177 176.005 174.900 -0.121 0.000 0.975 3469 G CA 0.600 45.501 45.100 -0.331 0.000 0.642 3469 G HN 0.667 nan 8.290 nan 0.000 0.536 3470 D N 0.733 121.190 120.400 0.096 0.000 2.219 3470 D HA -0.027 4.614 4.640 0.002 0.000 0.205 3470 D C 2.421 178.723 176.300 0.003 0.000 0.970 3470 D CA 1.335 55.507 54.000 0.287 0.000 0.851 3470 D CB -0.038 41.028 40.800 0.442 0.000 0.943 3470 D HN 0.704 nan 8.370 nan 0.000 0.488 3471 E N 1.057 120.888 120.200 -0.615 0.000 2.358 3471 E HA -0.108 4.243 4.350 0.002 0.000 0.195 3471 E C 2.116 178.377 176.600 -0.566 0.000 1.010 3471 E CA 0.157 55.801 56.400 -1.259 0.000 0.856 3471 E CB -0.722 28.135 29.700 -1.404 0.000 0.795 3471 E HN 0.319 nan 8.360 nan 0.000 0.504 3472 L N -0.146 120.829 121.223 -0.414 0.000 2.189 3472 L HA -0.141 4.200 4.340 0.002 0.000 0.214 3472 L C 2.151 178.779 176.870 -0.403 0.000 1.097 3472 L CA 1.283 55.880 54.840 -0.404 0.000 0.764 3472 L CB -0.485 41.194 42.059 -0.634 0.000 0.900 3472 L HN 0.040 nan 8.230 nan 0.000 0.436 3473 F N -1.318 118.558 119.950 -0.123 0.000 2.335 3473 F HA -0.087 4.441 4.527 0.002 0.000 0.296 3473 F C 2.576 178.331 175.800 -0.075 0.000 1.091 3473 F CA 0.802 58.752 58.000 -0.083 0.000 1.399 3473 F CB -0.322 38.720 39.000 0.070 0.000 1.067 3473 F HN -0.058 nan 8.300 nan 0.000 0.520 3474 S N -0.106 115.622 115.700 0.047 0.000 2.362 3474 S HA -0.090 4.381 4.470 0.002 0.000 0.221 3474 S C 2.262 176.722 174.600 -0.234 0.000 1.032 3474 S CA 0.942 59.115 58.200 -0.045 0.000 0.973 3474 S CB -0.500 62.681 63.200 -0.032 0.000 0.849 3474 S HN 0.105 nan 8.310 nan 0.000 0.465 3475 V N 0.697 120.347 119.914 -0.439 0.000 2.392 3475 V HA -0.110 4.011 4.120 0.002 0.000 0.249 3475 V C 1.180 176.900 176.094 -0.624 0.000 1.059 3475 V CA 1.571 63.453 62.300 -0.697 0.000 1.051 3475 V CB -0.670 30.689 31.823 -0.774 0.000 0.658 3475 V HN 0.454 nan 8.190 nan 0.000 0.455 3476 F N 0.218 119.983 119.950 -0.309 0.000 2.750 3476 F HA 0.492 5.020 4.527 0.002 0.000 0.297 3476 F C 1.601 177.307 175.800 -0.156 0.000 1.138 3476 F CA 0.256 58.101 58.000 -0.258 0.000 1.346 3476 F CB -0.094 38.696 39.000 -0.349 0.000 0.965 3476 F HN 0.200 nan 8.300 nan 0.000 0.514 3477 G N 1.053 109.865 108.800 0.019 0.000 2.421 3477 G HA2 -0.318 3.643 3.960 0.002 0.000 0.300 3477 G HA3 -0.318 3.643 3.960 0.002 0.000 0.300 3477 G C 1.313 176.303 174.900 0.150 0.000 0.974 3477 G CA 0.418 45.641 45.100 0.205 0.000 1.062 3477 G HN 0.601 nan 8.290 nan 0.000 0.514 3478 A N 0.301 123.109 122.820 -0.021 0.000 1.917 3478 A HA 0.042 4.363 4.320 0.002 0.000 0.219 3478 A C 0.714 178.107 177.584 -0.319 0.000 1.182 3478 A CA 2.138 54.029 52.037 -0.244 0.000 0.633 3478 A CB -0.855 17.898 19.000 -0.413 0.000 0.819 3478 A HN 0.488 nan 8.150 nan 0.000 0.448 3479 P HA -0.139 nan 4.420 nan 0.000 0.220 3479 P C 0.530 177.624 177.300 -0.343 0.000 1.144 3479 P CA 0.985 63.986 63.100 -0.165 0.000 0.800 3479 P CB -0.170 31.311 31.700 -0.364 0.000 0.772 3480 F N -2.510 117.447 119.950 0.011 0.000 2.765 3480 F HA 0.189 4.718 4.527 0.002 0.000 0.302 3480 F C 1.703 177.526 175.800 0.039 0.000 1.111 3480 F CA 0.410 58.439 58.000 0.048 0.000 1.359 3480 F CB -0.286 38.745 39.000 0.051 0.000 1.097 3480 F HN -0.149 nan 8.300 nan 0.000 0.577 3481 L N -1.797 119.485 121.223 0.097 0.000 2.758 3481 L HA 0.223 4.564 4.340 0.002 0.000 0.234 3481 L C 0.989 177.869 176.870 0.018 0.000 1.049 3481 L CA 0.106 54.979 54.840 0.055 0.000 0.908 3481 L CB 0.118 42.182 42.059 0.009 0.000 1.362 3481 L HN -0.210 nan 8.230 nan 0.000 0.499 3482 K N 0.536 120.917 120.400 -0.031 0.000 2.520 3482 K HA 0.431 4.752 4.320 0.002 0.000 0.256 3482 K C -0.530 176.140 176.600 0.117 0.000 1.033 3482 K CA -0.499 55.803 56.287 0.025 0.000 1.007 3482 K CB 0.869 33.343 32.500 -0.043 0.000 1.330 3482 K HN -0.065 nan 8.250 nan 0.000 0.507 3483 E N -1.457 118.842 120.200 0.164 0.000 2.336 3483 E HA 0.364 4.715 4.350 0.002 0.000 0.267 3483 E C -0.129 176.535 176.600 0.108 0.000 0.906 3483 E CA -0.372 56.099 56.400 0.120 0.000 0.781 3483 E CB 1.859 31.600 29.700 0.069 0.000 1.261 3483 E HN 0.771 nan 8.360 nan 0.000 0.436 3484 G N 0.731 109.552 108.800 0.035 0.000 2.194 3484 G HA2 -0.280 3.681 3.960 0.002 0.000 0.236 3484 G HA3 -0.280 3.681 3.960 0.002 0.000 0.236 3484 G C 0.342 175.178 174.900 -0.106 0.000 0.987 3484 G CA -0.133 44.943 45.100 -0.040 0.000 0.635 3484 G HN 0.753 nan 8.290 nan 0.000 0.520 3485 A N 0.897 123.675 122.820 -0.069 0.000 2.524 3485 A HA 0.613 4.934 4.320 0.002 0.000 0.250 3485 A C 1.144 178.672 177.584 -0.093 0.000 1.078 3485 A CA 1.109 53.069 52.037 -0.128 0.000 0.761 3485 A CB 0.114 19.136 19.000 0.037 0.000 1.012 3485 A HN 2.023 nan 8.150 nan 0.000 0.500 3486 S N 1.494 117.134 115.700 -0.100 0.000 2.600 3486 S HA 0.174 4.645 4.470 0.002 0.000 0.265 3486 S C 0.914 175.486 174.600 -0.046 0.000 1.325 3486 S CA 0.379 58.543 58.200 -0.060 0.000 1.002 3486 S CB 0.795 63.966 63.200 -0.048 0.000 0.921 3486 S HN 0.775 nan 8.310 nan 0.000 0.554 3487 E N 0.372 120.554 120.200 -0.030 0.000 2.265 3487 E HA -0.177 4.175 4.350 0.002 0.000 0.196 3487 E C 1.742 178.328 176.600 -0.023 0.000 0.996 3487 E CA 1.653 58.041 56.400 -0.021 0.000 0.832 3487 E CB -0.279 29.417 29.700 -0.006 0.000 0.756 3487 E HN 0.810 nan 8.360 nan 0.000 0.491 3488 E N -0.025 120.164 120.200 -0.018 0.000 2.072 3488 E HA -0.191 4.160 4.350 0.002 0.000 0.190 3488 E C 1.868 178.430 176.600 -0.063 0.000 0.982 3488 E CA 0.994 57.384 56.400 -0.018 0.000 0.803 3488 E CB -0.031 29.686 29.700 0.028 0.000 0.755 3488 E HN 0.381 nan 8.360 nan 0.000 0.453 3489 E N 0.245 120.421 120.200 -0.040 0.000 2.072 3489 E HA -0.137 4.214 4.350 0.002 0.000 0.190 3489 E C 2.184 178.724 176.600 -0.100 0.000 0.982 3489 E CA 0.715 57.073 56.400 -0.071 0.000 0.803 3489 E CB 0.018 29.724 29.700 0.009 0.000 0.755 3489 E HN 0.295 nan 8.360 nan 0.000 0.453 3490 I N 0.514 121.012 120.570 -0.120 0.000 2.335 3490 I HA -0.280 3.891 4.170 0.002 0.000 0.251 3490 I C 2.710 178.794 176.117 -0.056 0.000 1.129 3490 I CA 0.981 62.152 61.300 -0.215 0.000 1.402 3490 I CB -0.238 37.661 38.000 -0.168 0.000 1.069 3490 I HN 0.068 nan 8.210 nan 0.000 0.424 3491 R N 0.808 121.293 120.500 -0.025 0.000 2.062 3491 R HA -0.141 4.200 4.340 0.002 0.000 0.226 3491 R C 2.371 178.665 176.300 -0.011 0.000 1.125 3491 R CA 0.990 57.098 56.100 0.012 0.000 0.966 3491 R CB -0.184 30.113 30.300 -0.004 0.000 0.861 3491 R HN 0.168 nan 8.270 nan 0.000 0.433 3492 L N 0.686 121.858 121.223 -0.084 0.000 2.013 3492 L HA -0.204 4.137 4.340 0.002 0.000 0.212 3492 L C 2.291 179.136 176.870 -0.041 0.000 1.073 3492 L CA 2.309 57.077 54.840 -0.121 0.000 0.753 3492 L CB -0.991 40.872 42.059 -0.327 0.000 0.890 3492 L HN 0.180 nan 8.230 nan 0.000 0.432 3493 S N -0.827 114.863 115.700 -0.017 0.000 2.359 3493 S HA -0.282 4.189 4.470 0.002 0.000 0.223 3493 S C 2.100 176.745 174.600 0.076 0.000 1.039 3493 S CA 1.858 60.083 58.200 0.042 0.000 1.042 3493 S CB -0.295 62.959 63.200 0.090 0.000 0.915 3493 S HN 0.555 nan 8.310 nan 0.000 0.439 3494 K N 0.231 120.720 120.400 0.149 0.000 2.113 3494 K HA -0.160 4.162 4.320 0.002 0.000 0.208 3494 K C 2.306 178.920 176.600 0.024 0.000 1.047 3494 K CA 1.786 58.135 56.287 0.103 0.000 0.928 3494 K CB -0.290 32.306 32.500 0.161 0.000 0.716 3494 K HN 0.514 nan 8.250 nan 0.000 0.446 3495 M N 0.702 120.309 119.600 0.012 0.000 2.064 3495 M HA -0.181 4.300 4.480 0.002 0.000 0.260 3495 M C 2.051 178.384 176.300 0.055 0.000 1.073 3495 M CA 1.574 56.860 55.300 -0.024 0.000 1.124 3495 M CB -0.068 32.545 32.600 0.021 0.000 1.326 3495 M HN -0.074 nan 8.290 nan 0.000 0.410 3496 V N 1.400 121.371 119.914 0.095 0.000 2.250 3496 V HA -0.383 3.738 4.120 0.002 0.000 0.250 3496 V C 2.502 178.596 176.094 -0.000 0.000 1.060 3496 V CA 2.486 64.810 62.300 0.040 0.000 1.030 3496 V CB -0.837 30.803 31.823 -0.304 0.000 0.643 3496 V HN 0.599 nan 8.190 nan 0.000 0.445 3497 M N -1.107 118.438 119.600 -0.092 0.000 2.108 3497 M HA -0.201 4.280 4.480 0.002 0.000 0.261 3497 M C 2.389 178.738 176.300 0.082 0.000 1.066 3497 M CA 1.735 57.000 55.300 -0.058 0.000 1.107 3497 M CB -0.599 31.944 32.600 -0.095 0.000 1.356 3497 M HN 0.208 nan 8.290 nan 0.000 0.406 3498 K N 0.332 120.760 120.400 0.047 0.000 2.009 3498 K HA -0.123 4.198 4.320 0.002 0.000 0.210 3498 K C 1.813 178.483 176.600 0.116 0.000 1.049 3498 K CA 1.762 58.057 56.287 0.013 0.000 0.929 3498 K CB -0.694 31.725 32.500 -0.136 0.000 0.714 3498 K HN 0.319 nan 8.250 nan 0.000 0.440 3499 F N -0.374 119.717 119.950 0.236 0.000 2.046 3499 F HA -0.265 4.264 4.527 0.002 0.000 0.297 3499 F C 2.644 178.629 175.800 0.308 0.000 1.123 3499 F CA 1.020 59.215 58.000 0.324 0.000 1.199 3499 F CB -0.363 38.991 39.000 0.590 0.000 0.972 3499 F HN 0.229 nan 8.300 nan 0.000 0.474 3500 W N 0.183 121.587 121.300 0.173 0.000 2.333 3500 W HA -0.289 4.372 4.660 0.002 0.000 0.316 3500 W C 2.648 179.167 176.519 -0.000 0.000 1.215 3500 W CA 1.013 58.368 57.345 0.018 0.000 1.278 3500 W CB -0.749 28.654 29.460 -0.096 0.000 1.154 3500 W HN 0.044 nan 8.180 nan 0.000 0.486 3501 A N 0.691 123.646 122.820 0.224 0.000 1.883 3501 A HA -0.253 4.068 4.320 0.002 0.000 0.217 3501 A C 1.746 179.375 177.584 0.074 0.000 1.186 3501 A CA 2.001 54.093 52.037 0.092 0.000 0.624 3501 A CB -1.198 17.841 19.000 0.066 0.000 0.822 3501 A HN 0.274 nan 8.150 nan 0.000 0.444 3502 N N -0.963 117.800 118.700 0.105 0.000 2.094 3502 N HA -0.176 4.565 4.740 0.002 0.000 0.191 3502 N C 1.427 176.966 175.510 0.048 0.000 1.023 3502 N CA 1.630 54.724 53.050 0.072 0.000 0.857 3502 N CB -0.629 37.918 38.487 0.100 0.000 1.013 3502 N HN 0.520 nan 8.380 nan 0.000 0.426 3503 F N 1.693 121.578 119.950 -0.110 0.000 2.075 3503 F HA -0.099 4.429 4.527 0.002 0.000 0.297 3503 F C 2.251 177.966 175.800 -0.142 0.000 1.113 3503 F CA 1.377 59.249 58.000 -0.213 0.000 1.218 3503 F CB -0.693 38.084 39.000 -0.372 0.000 0.984 3503 F HN 0.045 nan 8.300 nan 0.000 0.472 3504 A N 0.483 123.241 122.820 -0.104 0.000 1.948 3504 A HA -0.220 4.101 4.320 0.002 0.000 0.220 3504 A C 2.355 179.840 177.584 -0.164 0.000 1.177 3504 A CA 1.930 53.873 52.037 -0.157 0.000 0.636 3504 A CB -0.685 18.268 19.000 -0.078 0.000 0.815 3504 A HN 0.481 nan 8.150 nan 0.000 0.449 3505 R N -0.544 119.887 120.500 -0.115 0.000 2.065 3505 R HA -0.020 4.321 4.340 0.002 0.000 0.224 3505 R C 1.123 177.346 176.300 -0.127 0.000 1.161 3505 R CA 1.408 57.452 56.100 -0.093 0.000 0.923 3505 R CB -0.347 29.927 30.300 -0.044 0.000 0.822 3505 R HN 0.539 nan 8.270 nan 0.000 0.437 3506 N N -0.348 118.279 118.700 -0.121 0.000 2.280 3506 N HA 0.056 4.797 4.740 0.002 0.000 0.192 3506 N C 0.631 176.031 175.510 -0.182 0.000 1.109 3506 N CA 0.868 53.850 53.050 -0.113 0.000 0.855 3506 N CB 1.289 39.749 38.487 -0.045 0.000 0.974 3506 N HN 0.493 nan 8.380 nan 0.000 0.482 3507 G N 1.451 110.011 108.800 -0.400 0.000 2.160 3507 G HA2 -0.273 3.688 3.960 0.002 0.000 0.251 3507 G HA3 -0.273 3.688 3.960 0.002 0.000 0.251 3507 G C -0.188 174.551 174.900 -0.267 0.000 1.008 3507 G CA 0.131 44.836 45.100 -0.659 0.000 0.724 3507 G HN 0.487 nan 8.290 nan 0.000 0.514 3508 N N -0.497 118.136 118.700 -0.112 0.000 2.519 3508 N HA 0.352 5.093 4.740 0.002 0.000 0.291 3508 N C -1.444 174.025 175.510 -0.069 0.000 1.107 3508 N CA -1.230 51.797 53.050 -0.039 0.000 0.904 3508 N CB 2.286 40.806 38.487 0.055 0.000 1.500 3508 N HN -0.056 nan 8.380 nan 0.000 0.510 3509 P HA -0.099 nan 4.420 nan 0.000 0.218 3509 P C 0.004 177.469 177.300 0.276 0.000 1.149 3509 P CA 0.725 63.769 63.100 -0.094 0.000 0.817 3509 P CB 0.322 31.579 31.700 -0.739 0.000 0.785 3510 N N 0.750 119.563 118.700 0.187 0.000 2.344 3510 N HA 0.246 4.987 4.740 0.002 0.000 0.236 3510 N C 0.893 176.505 175.510 0.170 0.000 1.279 3510 N CA 1.304 54.524 53.050 0.284 0.000 0.882 3510 N CB 0.159 38.806 38.487 0.267 0.000 1.110 3510 N HN 0.164 nan 8.380 nan 0.000 0.436 3511 G N -0.145 108.739 108.800 0.140 0.000 2.443 3511 G HA2 0.146 4.107 3.960 0.002 0.000 0.303 3511 G HA3 0.146 4.107 3.960 0.002 0.000 0.303 3511 G C -1.233 173.695 174.900 0.046 0.000 1.613 3511 G CA -0.824 44.316 45.100 0.068 0.000 0.879 3511 G HN 0.595 nan 8.290 nan 0.000 0.632 3512 E N 0.094 120.320 120.200 0.043 0.000 2.529 3512 E HA 0.391 4.743 4.350 0.002 0.000 0.259 3512 E C 1.115 177.717 176.600 0.004 0.000 0.966 3512 E CA 0.448 56.869 56.400 0.034 0.000 0.937 3512 E CB 0.831 30.549 29.700 0.029 0.000 0.923 3512 E HN 2.124 nan 8.360 nan 0.000 0.468 3513 G N 2.836 111.638 108.800 0.004 0.000 2.184 3513 G HA2 -0.188 3.774 3.960 0.002 0.000 0.206 3513 G HA3 -0.188 3.774 3.960 0.002 0.000 0.206 3513 G C -0.159 174.709 174.900 -0.054 0.000 0.995 3513 G CA -0.072 45.017 45.100 -0.019 0.000 0.651 3513 G HN 0.443 nan 8.290 nan 0.000 0.511 3514 L N 0.147 121.339 121.223 -0.051 0.000 2.409 3514 L HA 0.570 4.912 4.340 0.002 0.000 0.262 3514 L C -2.206 174.727 176.870 0.105 0.000 0.992 3514 L CA -2.387 52.388 54.840 -0.108 0.000 0.817 3514 L CB 2.009 43.781 42.059 -0.478 0.000 1.350 3514 L HN -0.144 nan 8.230 nan 0.000 0.411 3515 P HA -0.019 nan 4.420 nan 0.000 0.269 3515 P C -0.961 176.578 177.300 0.397 0.000 1.211 3515 P CA -0.094 63.166 63.100 0.266 0.000 0.781 3515 P CB 0.253 32.095 31.700 0.236 0.000 0.877 3516 H N 1.191 120.399 119.070 0.230 0.000 2.722 3516 H HA 0.184 4.741 4.556 0.002 0.000 0.328 3516 H C -1.060 174.459 175.328 0.318 0.000 1.067 3516 H CA -0.068 56.142 56.048 0.270 0.000 1.447 3516 H CB 0.201 30.073 29.762 0.182 0.000 1.469 3516 H HN 0.345 nan 8.280 nan 0.000 0.544 3517 W N 9.991 131.101 121.300 -0.317 0.000 2.282 3517 W HA 0.302 4.963 4.660 0.002 0.000 0.322 3517 W C -2.752 173.559 176.519 -0.346 0.000 1.011 3517 W CA -3.160 54.040 57.345 -0.242 0.000 1.392 3517 W CB 0.773 30.128 29.460 -0.175 0.000 1.215 3517 W HN 0.585 nan 8.180 nan 0.000 0.394 3518 P HA 0.018 nan 4.420 nan 0.000 0.272 3518 P C -0.434 177.053 177.300 0.313 0.000 1.223 3518 P CA 0.218 63.418 63.100 0.166 0.000 0.784 3518 P CB 1.311 33.125 31.700 0.190 0.000 0.923 3519 E N 1.337 121.599 120.200 0.104 0.000 2.289 3519 E HA 0.020 4.372 4.350 0.002 0.000 0.278 3519 E C -0.726 175.826 176.600 -0.080 0.000 1.032 3519 E CA -0.663 55.578 56.400 -0.265 0.000 0.854 3519 E CB 0.212 29.735 29.700 -0.295 0.000 1.046 3519 E HN 0.351 nan 8.360 nan 0.000 0.409 3520 Y N 6.304 126.480 120.300 -0.206 0.000 2.619 3520 Y HA -0.041 4.511 4.550 0.002 0.000 0.339 3520 Y C -0.042 175.831 175.900 -0.045 0.000 1.224 3520 Y CA -0.016 58.059 58.100 -0.041 0.000 1.946 3520 Y CB -0.844 37.606 38.460 -0.016 0.000 1.957 3520 Y HN 0.510 nan 8.280 nan 0.000 0.421 3521 N N -0.171 118.399 118.700 -0.216 0.000 2.718 3521 N HA 0.055 4.796 4.740 0.002 0.000 0.298 3521 N C 0.930 176.286 175.510 -0.256 0.000 1.369 3521 N CA -0.083 52.861 53.050 -0.175 0.000 0.839 3521 N CB 0.010 38.445 38.487 -0.086 0.000 1.108 3521 N HN 0.182 nan 8.380 nan 0.000 0.489 3522 Q N -0.314 119.401 119.800 -0.143 0.000 2.119 3522 Q HA -0.011 4.330 4.340 0.002 0.000 0.201 3522 Q C 1.485 177.404 176.000 -0.134 0.000 0.972 3522 Q CA 1.448 57.176 55.803 -0.125 0.000 0.847 3522 Q CB -0.500 28.201 28.738 -0.062 0.000 0.903 3522 Q HN 0.499 nan 8.270 nan 0.000 0.433 3523 K N 1.009 121.345 120.400 -0.106 0.000 2.362 3523 K HA -0.083 4.238 4.320 0.002 0.000 0.200 3523 K C 0.166 176.706 176.600 -0.100 0.000 1.046 3523 K CA 0.273 56.520 56.287 -0.066 0.000 0.952 3523 K CB 0.066 32.555 32.500 -0.019 0.000 0.753 3523 K HN 0.257 nan 8.250 nan 0.000 0.466 3524 E N -0.845 119.191 120.200 -0.273 0.000 2.476 3524 E HA -0.166 4.185 4.350 0.002 0.000 0.251 3524 E C -0.000 176.610 176.600 0.017 0.000 1.130 3524 E CA 0.206 56.322 56.400 -0.472 0.000 0.736 3524 E CB -1.853 27.673 29.700 -0.289 0.000 1.298 3524 E HN 0.483 nan 8.360 nan 0.000 0.400 3525 G N 0.731 109.571 108.800 0.067 0.000 2.442 3525 G HA2 0.369 4.330 3.960 0.002 0.000 0.249 3525 G HA3 0.369 4.330 3.960 0.002 0.000 0.249 3525 G C -0.332 174.812 174.900 0.407 0.000 1.263 3525 G CA 0.166 45.382 45.100 0.194 0.000 0.846 3525 G HN 0.301 nan 8.290 nan 0.000 0.555 3526 Y N 0.241 120.667 120.300 0.210 0.000 2.597 3526 Y HA 0.679 5.231 4.550 0.002 0.000 0.340 3526 Y C -1.342 174.552 175.900 -0.009 0.000 1.097 3526 Y CA -1.889 56.343 58.100 0.220 0.000 1.037 3526 Y CB 1.549 40.135 38.460 0.211 0.000 1.305 3526 Y HN 0.549 nan 8.280 nan 0.000 0.463 3527 L N 2.747 123.805 121.223 -0.275 0.000 2.312 3527 L HA 0.453 4.795 4.340 0.002 0.000 0.281 3527 L C -0.581 176.091 176.870 -0.331 0.000 1.070 3527 L CA -0.247 54.197 54.840 -0.660 0.000 0.805 3527 L CB 1.578 42.663 42.059 -1.623 0.000 1.174 3527 L HN 0.805 nan 8.230 nan 0.000 0.434 3528 Q N 5.476 125.096 119.800 -0.300 0.000 2.421 3528 Q HA 0.427 4.769 4.340 0.002 0.000 0.242 3528 Q C -0.891 175.031 176.000 -0.131 0.000 1.024 3528 Q CA -0.176 55.572 55.803 -0.091 0.000 0.891 3528 Q CB 0.984 29.669 28.738 -0.089 0.000 1.222 3528 Q HN 0.606 nan 8.270 nan 0.000 0.483 3529 I N 1.663 122.178 120.570 -0.091 0.000 2.472 3529 I HA 0.626 4.798 4.170 0.002 0.000 0.290 3529 I C 0.850 176.823 176.117 -0.239 0.000 1.016 3529 I CA -0.023 61.194 61.300 -0.137 0.000 1.348 3529 I CB 1.344 39.316 38.000 -0.046 0.000 1.417 3529 I HN 0.738 nan 8.210 nan 0.000 0.521 3530 G N 2.985 111.627 108.800 -0.264 0.000 2.351 3530 G HA2 0.252 4.213 3.960 0.002 0.000 0.279 3530 G HA3 0.252 4.213 3.960 0.002 0.000 0.279 3530 G C 0.214 175.004 174.900 -0.183 0.000 1.297 3530 G CA -0.094 44.818 45.100 -0.313 0.000 0.886 3530 G HN 0.629 nan 8.290 nan 0.000 0.493 3531 A N -0.671 122.135 122.820 -0.023 0.000 1.978 3531 A HA 0.092 4.414 4.320 0.002 0.000 0.220 3531 A C 1.030 178.601 177.584 -0.022 0.000 1.170 3531 A CA 1.821 53.866 52.037 0.013 0.000 0.636 3531 A CB -0.329 18.750 19.000 0.133 0.000 0.810 3531 A HN 0.493 nan 8.150 nan 0.000 0.448 3532 N N 0.662 119.345 118.700 -0.028 0.000 2.626 3532 N HA 0.250 4.991 4.740 0.002 0.000 0.242 3532 N C -1.400 174.082 175.510 -0.047 0.000 1.005 3532 N CA 0.059 53.092 53.050 -0.028 0.000 0.905 3532 N CB 1.261 39.737 38.487 -0.019 0.000 1.128 3532 N HN 0.088 nan 8.380 nan 0.000 0.512 3533 T N 3.211 117.740 114.554 -0.042 0.000 2.743 3533 T HA 0.348 4.699 4.350 0.002 0.000 0.293 3533 T C 0.100 174.773 174.700 -0.045 0.000 0.945 3533 T CA -0.474 61.594 62.100 -0.054 0.000 1.030 3533 T CB 0.836 69.697 68.868 -0.012 0.000 0.912 3533 T HN 0.413 nan 8.240 nan 0.000 0.483 3534 Q N 1.726 121.471 119.800 -0.093 0.000 2.527 3534 Q HA 0.619 4.961 4.340 0.002 0.000 0.280 3534 Q C -1.236 174.663 176.000 -0.169 0.000 0.977 3534 Q CA -1.085 54.668 55.803 -0.084 0.000 0.837 3534 Q CB 1.296 30.004 28.738 -0.051 0.000 1.454 3534 Q HN 0.583 nan 8.270 nan 0.000 0.387 3535 A N 1.099 123.835 122.820 -0.140 0.000 2.387 3535 A HA 0.822 5.143 4.320 0.002 0.000 0.251 3535 A C 0.021 177.429 177.584 -0.293 0.000 1.113 3535 A CA 0.692 52.599 52.037 -0.218 0.000 0.794 3535 A CB -0.054 18.905 19.000 -0.068 0.000 1.069 3535 A HN 1.536 nan 8.150 nan 0.000 0.506 3536 A N -1.062 121.494 122.820 -0.441 0.000 2.467 3536 A HA 0.664 4.985 4.320 0.002 0.000 0.301 3536 A C -1.145 176.271 177.584 -0.280 0.000 1.126 3536 A CA -0.579 51.203 52.037 -0.425 0.000 0.632 3536 A CB 0.636 19.242 19.000 -0.657 0.000 1.331 3536 A HN 0.858 nan 8.150 nan 0.000 0.482 3537 Q N 0.055 119.868 119.800 0.022 0.000 2.544 3537 Q HA 0.531 4.872 4.340 0.002 0.000 0.291 3537 Q C -1.342 174.890 176.000 0.388 0.000 1.068 3537 Q CA -1.180 54.763 55.803 0.232 0.000 0.785 3537 Q CB 1.811 30.615 28.738 0.109 0.000 1.481 3537 Q HN 0.649 nan 8.270 nan 0.000 0.430 3538 K N 1.272 121.848 120.400 0.293 0.000 5.163 3538 K HA -0.219 4.102 4.320 0.002 0.000 0.320 3538 K C -0.673 176.033 176.600 0.178 0.000 0.822 3538 K CA 0.044 56.456 56.287 0.209 0.000 0.981 3538 K CB -1.134 31.442 32.500 0.126 0.000 1.877 3538 K HN 0.386 nan 8.250 nan 0.000 0.400 3539 L N 2.930 124.176 121.223 0.038 0.000 2.360 3539 L HA 0.089 4.431 4.340 0.002 0.000 0.276 3539 L C 0.615 177.426 176.870 -0.099 0.000 1.121 3539 L CA 0.347 55.011 54.840 -0.293 0.000 0.845 3539 L CB 0.605 42.162 42.059 -0.836 0.000 1.143 3539 L HN 0.409 nan 8.230 nan 0.000 0.452 3540 K N 2.793 123.163 120.400 -0.049 0.000 3.048 3540 K HA -0.301 4.020 4.320 0.002 0.000 0.274 3540 K C 1.008 177.646 176.600 0.063 0.000 1.098 3540 K CA 1.240 57.540 56.287 0.021 0.000 0.807 3540 K CB -1.437 31.069 32.500 0.010 0.000 1.217 3540 K HN 0.964 nan 8.250 nan 0.000 0.477 3541 D N 1.101 121.540 120.400 0.065 0.000 2.116 3541 D HA -0.171 4.470 4.640 0.002 0.000 0.193 3541 D C 1.480 177.832 176.300 0.086 0.000 0.998 3541 D CA 1.741 55.790 54.000 0.082 0.000 0.836 3541 D CB 0.281 41.129 40.800 0.080 0.000 0.951 3541 D HN 0.484 nan 8.370 nan 0.000 0.449 3542 K N 0.321 120.764 120.400 0.072 0.000 2.009 3542 K HA -0.178 4.143 4.320 0.002 0.000 0.210 3542 K C 2.233 178.905 176.600 0.119 0.000 1.049 3542 K CA 1.414 57.740 56.287 0.064 0.000 0.929 3542 K CB -0.082 32.427 32.500 0.015 0.000 0.714 3542 K HN 0.039 nan 8.250 nan 0.000 0.440 3543 E N 0.566 120.860 120.200 0.156 0.000 2.033 3543 E HA -0.182 4.169 4.350 0.002 0.000 0.199 3543 E C 2.051 178.892 176.600 0.401 0.000 1.011 3543 E CA 1.365 57.963 56.400 0.330 0.000 0.815 3543 E CB -0.565 29.350 29.700 0.358 0.000 0.755 3543 E HN 0.017 nan 8.360 nan 0.000 0.451 3544 V N 1.245 121.307 119.914 0.248 0.000 2.250 3544 V HA -0.363 3.758 4.120 0.002 0.000 0.250 3544 V C 2.242 178.439 176.094 0.172 0.000 1.060 3544 V CA 2.113 64.527 62.300 0.190 0.000 1.030 3544 V CB -1.121 30.772 31.823 0.116 0.000 0.643 3544 V HN 0.397 nan 8.190 nan 0.000 0.445 3545 A N -0.240 122.666 122.820 0.143 0.000 1.851 3545 A HA -0.278 4.043 4.320 0.002 0.000 0.216 3545 A C 2.117 179.754 177.584 0.089 0.000 1.195 3545 A CA 2.322 54.420 52.037 0.102 0.000 0.622 3545 A CB -0.837 18.217 19.000 0.090 0.000 0.831 3545 A HN 0.547 nan 8.150 nan 0.000 0.444 3546 F N -0.721 119.204 119.950 -0.041 0.000 2.025 3546 F HA -0.245 4.283 4.527 0.002 0.000 0.297 3546 F C 2.081 177.754 175.800 -0.211 0.000 1.132 3546 F CA 2.122 60.022 58.000 -0.167 0.000 1.191 3546 F CB -0.840 37.983 39.000 -0.294 0.000 0.963 3546 F HN 0.384 nan 8.300 nan 0.000 0.481 3547 W N 0.684 121.856 121.300 -0.213 0.000 2.331 3547 W HA -0.199 4.462 4.660 0.002 0.000 0.291 3547 W C 2.588 178.835 176.519 -0.453 0.000 1.214 3547 W CA 1.782 58.816 57.345 -0.519 0.000 1.228 3547 W CB -1.123 28.105 29.460 -0.387 0.000 1.135 3547 W HN -0.028 nan 8.180 nan 0.000 0.537 3548 T N -0.129 114.414 114.554 -0.018 0.000 2.746 3548 T HA -0.208 4.143 4.350 0.002 0.000 0.267 3548 T C 1.260 175.949 174.700 -0.018 0.000 1.039 3548 T CA 1.811 63.924 62.100 0.023 0.000 1.142 3548 T CB -0.524 68.370 68.868 0.044 0.000 0.866 3548 T HN 0.322 nan 8.240 nan 0.000 0.444 3549 N N 0.833 119.462 118.700 -0.119 0.000 2.062 3549 N HA -0.034 4.707 4.740 0.002 0.000 0.191 3549 N C 1.816 177.236 175.510 -0.149 0.000 1.042 3549 N CA 0.751 53.728 53.050 -0.122 0.000 0.845 3549 N CB -0.278 38.120 38.487 -0.150 0.000 1.024 3549 N HN 0.094 nan 8.380 nan 0.000 0.424 3550 L N 1.146 122.151 121.223 -0.362 0.000 1.997 3550 L HA -0.159 4.182 4.340 0.002 0.000 0.216 3550 L C 1.778 178.692 176.870 0.074 0.000 1.074 3550 L CA 1.693 56.360 54.840 -0.288 0.000 0.763 3550 L CB -0.896 40.749 42.059 -0.690 0.000 0.890 3550 L HN 0.233 nan 8.230 nan 0.000 0.434 3551 F N -0.674 119.244 119.950 -0.054 0.000 2.333 3551 F HA -0.158 4.370 4.527 0.002 0.000 0.300 3551 F C 2.064 177.862 175.800 -0.003 0.000 1.083 3551 F CA 0.175 58.187 58.000 0.019 0.000 1.395 3551 F CB -0.219 38.814 39.000 0.055 0.000 1.056 3551 F HN 0.303 nan 8.300 nan 0.000 0.529 3552 A N 0.296 123.213 122.820 0.161 0.000 2.310 3552 A HA 0.085 4.406 4.320 0.002 0.000 0.230 3552 A C 0.565 178.179 177.584 0.049 0.000 1.294 3552 A CA 0.144 52.229 52.037 0.080 0.000 0.898 3552 A CB -0.416 18.613 19.000 0.049 0.000 0.917 3552 A HN 0.187 nan 8.150 nan 0.000 0.491 3553 K N 0.000 120.435 120.400 0.059 0.000 2.780 3553 K HA 0.000 4.321 4.320 0.002 0.000 0.191 3553 K CA 0.000 56.309 56.287 0.036 0.000 0.838 3553 K CB 0.000 32.516 32.500 0.026 0.000 1.064 3553 K HN 0.000 nan 8.250 nan 0.000 0.543