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 2qts_1_E DATA FIRST_RESID 41 DATA SEQUENCE SLKRVVWALC FMGSLALLAL VCTNRIQYYF LYPHVTKLDE VAATRLTFPA DATA SEQUENCE VTFcNLNEFR FSRVTKNDLY HAGELLALLN NRYEIPDTQT ADEKQLEILQ DATA SEQUENCE DKANFRNFKP KPFNMLEFYD RAGHDIREML LScFFRGEQc SPEDFKVVFT DATA SEQUENCE RYGKcYTFNA GQDGKPRLIT MKGGTGNGLE IMLDIQQDEY LPVWGETDET DATA SEQUENCE SFEAGIKVQI HSQDEPPLID QLGFGVAPGF QTFVSCQEQR LIYLPPPWGD DATA SEQUENCE cKATTGDSEF YDTYSITAcR IDcETRYLVE NcNcRMVHMP GDAPYcTPEQ DATA SEQUENCE YKEcADPALD FLVEKDNEYc VcEMPcNVTR YGKELSMVKI PSKASAKYLA DATA SEQUENCE KKYNKSEQYI GENILVLDIF FEALNYETIE QKKAYEVAGL LGDIGGQMGL DATA SEQUENCE FIGASILTVL ELFDYAYEVI K 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 41 S HA 0.000 nan 4.470 nan 0.000 0.327 41 S C 0.000 174.700 174.600 0.166 0.000 1.055 41 S CA 0.000 58.297 58.200 0.162 0.000 1.107 41 S CB 0.000 63.263 63.200 0.104 0.000 0.593 42 L N 1.831 123.121 121.223 0.113 0.000 2.217 42 L HA -0.001 4.339 4.340 -0.000 0.000 0.211 42 L C 2.443 179.377 176.870 0.106 0.000 1.107 42 L CA 1.026 55.934 54.840 0.112 0.000 0.783 42 L CB -0.503 41.606 42.059 0.083 0.000 0.919 42 L HN 0.728 nan 8.230 nan 0.000 0.442 43 K N -0.100 120.341 120.400 0.069 0.000 2.209 43 K HA -0.204 4.116 4.320 -0.000 0.000 0.204 43 K C 2.206 178.844 176.600 0.062 0.000 1.048 43 K CA 1.022 57.340 56.287 0.053 0.000 0.940 43 K CB -0.063 32.436 32.500 -0.002 0.000 0.729 43 K HN 0.060 nan 8.250 nan 0.000 0.451 44 R N 0.832 121.335 120.500 0.004 0.000 2.090 44 R HA 0.006 4.346 4.340 -0.000 0.000 0.219 44 R C 1.901 178.277 176.300 0.127 0.000 1.100 44 R CA 0.829 56.874 56.100 -0.092 0.000 0.991 44 R CB -0.344 29.579 30.300 -0.628 0.000 0.893 44 R HN -0.082 nan 8.270 nan 0.000 0.443 45 V N -0.050 119.988 119.914 0.207 0.000 2.244 45 V HA -0.201 3.919 4.120 -0.000 0.000 0.244 45 V C 2.279 178.500 176.094 0.212 0.000 1.042 45 V CA 1.845 64.305 62.300 0.267 0.000 1.006 45 V CB -0.581 31.391 31.823 0.248 0.000 0.641 45 V HN 0.125 nan 8.190 nan 0.000 0.446 46 V N -0.842 119.183 119.914 0.185 0.000 2.324 46 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 46 V C 2.069 178.279 176.094 0.193 0.000 1.060 46 V CA 2.594 64.989 62.300 0.158 0.000 1.042 46 V CB -0.861 31.043 31.823 0.135 0.000 0.650 46 V HN 0.820 nan 8.190 nan 0.000 0.450 47 W N 1.039 122.384 121.300 0.076 0.000 2.338 47 W HA -0.208 4.451 4.660 -0.000 0.000 0.304 47 W C 2.414 179.075 176.519 0.237 0.000 1.212 47 W CA 2.045 59.452 57.345 0.102 0.000 1.264 47 W CB -0.379 29.120 29.460 0.065 0.000 1.142 47 W HN 0.195 nan 8.180 nan 0.000 0.512 48 A N 0.134 123.049 122.820 0.158 0.000 1.933 48 A HA -0.140 4.179 4.320 -0.000 0.000 0.218 48 A C 2.056 179.656 177.584 0.026 0.000 1.175 48 A CA 1.696 53.706 52.037 -0.047 0.000 0.628 48 A CB -0.960 18.081 19.000 0.069 0.000 0.814 48 A HN 0.397 nan 8.150 nan 0.000 0.444 49 L N -0.975 120.286 121.223 0.064 0.000 2.313 49 L HA -0.136 4.204 4.340 -0.000 0.000 0.214 49 L C 2.171 179.069 176.870 0.047 0.000 1.119 49 L CA 0.290 55.163 54.840 0.056 0.000 0.809 49 L CB -0.549 41.546 42.059 0.061 0.000 0.933 49 L HN 0.429 nan 8.230 nan 0.000 0.449 50 C N -0.344 118.953 119.300 -0.005 0.000 2.409 50 C HA -0.154 4.306 4.460 -0.000 0.000 0.288 50 C C 2.526 177.404 174.990 -0.187 0.000 1.395 50 C CA 0.455 59.404 59.018 -0.117 0.000 1.792 50 C CB -1.234 26.369 27.740 -0.229 0.000 1.847 50 C HN 0.416 nan 8.230 nan 0.000 0.534 51 F N 0.306 120.096 119.950 -0.267 0.000 2.113 51 F HA -0.078 4.449 4.527 -0.000 0.000 0.297 51 F C 2.495 178.182 175.800 -0.189 0.000 1.103 51 F CA 1.460 59.315 58.000 -0.241 0.000 1.248 51 F CB -0.702 38.132 39.000 -0.276 0.000 0.999 51 F HN 0.127 nan 8.300 nan 0.000 0.475 52 M N -0.169 119.438 119.600 0.012 0.000 2.098 52 M HA 0.047 4.527 4.480 -0.000 0.000 0.262 52 M C 1.613 177.921 176.300 0.014 0.000 1.072 52 M CA 1.056 56.299 55.300 -0.094 0.000 1.133 52 M CB -1.066 31.471 32.600 -0.106 0.000 1.344 52 M HN 0.135 nan 8.290 nan 0.000 0.414 53 G N -0.892 107.924 108.800 0.028 0.000 2.750 53 G HA2 0.115 4.075 3.960 -0.000 0.000 0.250 53 G HA3 0.115 4.075 3.960 -0.000 0.000 0.250 53 G C 0.606 175.516 174.900 0.016 0.000 1.230 53 G CA 0.286 45.412 45.100 0.043 0.000 0.883 53 G HN 0.501 nan 8.290 nan 0.000 0.573 54 S N -1.580 114.133 115.700 0.021 0.000 2.829 54 S HA -0.190 4.280 4.470 -0.000 0.000 0.267 54 S C 1.026 175.638 174.600 0.020 0.000 1.293 54 S CA 1.494 59.695 58.200 0.002 0.000 1.375 54 S CB -0.849 62.327 63.200 -0.040 0.000 1.700 54 S HN 1.033 nan 8.310 nan 0.000 0.668 55 L N -0.426 120.835 121.223 0.063 0.000 3.360 55 L HA 0.589 4.929 4.340 -0.000 0.000 0.303 55 L C 1.900 178.914 176.870 0.240 0.000 1.218 55 L CA 1.099 56.010 54.840 0.117 0.000 1.059 55 L CB -0.587 41.525 42.059 0.088 0.000 1.468 55 L HN 0.416 nan 8.230 nan 0.000 0.614 56 A N 0.162 123.111 122.820 0.215 0.000 2.125 56 A HA -0.099 4.220 4.320 -0.000 0.000 0.219 56 A C 1.997 179.623 177.584 0.070 0.000 1.156 56 A CA 0.995 53.177 52.037 0.241 0.000 0.671 56 A CB -0.318 18.786 19.000 0.173 0.000 0.794 56 A HN 0.451 nan 8.150 nan 0.000 0.459 57 L N -1.133 120.121 121.223 0.053 0.000 2.131 57 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 57 L C 2.061 178.914 176.870 -0.027 0.000 1.092 57 L CA 0.698 55.542 54.840 0.006 0.000 0.759 57 L CB -0.481 41.586 42.059 0.012 0.000 0.903 57 L HN 0.325 nan 8.230 nan 0.000 0.435 58 L N -0.442 120.777 121.223 -0.007 0.000 2.291 58 L HA -0.071 4.269 4.340 -0.000 0.000 0.214 58 L C 2.638 179.379 176.870 -0.215 0.000 1.120 58 L CA 1.525 56.337 54.840 -0.046 0.000 0.799 58 L CB -0.990 41.102 42.059 0.053 0.000 0.925 58 L HN 0.124 nan 8.230 nan 0.000 0.446 59 A N -0.844 121.741 122.820 -0.392 0.000 1.930 59 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 59 A C 2.242 179.642 177.584 -0.307 0.000 1.176 59 A CA 0.879 52.508 52.037 -0.679 0.000 0.632 59 A CB -0.439 17.959 19.000 -1.003 0.000 0.819 59 A HN 0.318 nan 8.150 nan 0.000 0.445 60 L N 0.124 121.244 121.223 -0.172 0.000 2.005 60 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 60 L C 2.667 179.490 176.870 -0.079 0.000 1.072 60 L CA 1.658 56.441 54.840 -0.095 0.000 0.744 60 L CB -0.796 41.231 42.059 -0.054 0.000 0.895 60 L HN 0.414 nan 8.230 nan 0.000 0.433 61 V N -3.426 116.444 119.914 -0.074 0.000 2.720 61 V HA -0.266 3.854 4.120 -0.000 0.000 0.256 61 V C 2.388 178.451 176.094 -0.052 0.000 1.082 61 V CA 1.613 63.880 62.300 -0.056 0.000 1.101 61 V CB -1.107 30.689 31.823 -0.046 0.000 0.693 61 V HN 0.608 nan 8.190 nan 0.000 0.479 62 C N 2.253 121.500 119.300 -0.088 0.000 2.518 62 C HA -0.085 4.375 4.460 -0.000 0.000 0.279 62 C C 3.264 178.227 174.990 -0.044 0.000 1.279 62 C CA 1.849 60.818 59.018 -0.081 0.000 1.703 62 C CB -1.062 26.578 27.740 -0.166 0.000 2.072 62 C HN 0.803 nan 8.230 nan 0.000 0.487 63 T N -0.703 113.814 114.554 -0.062 0.000 2.821 63 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 63 T C 1.432 176.156 174.700 0.040 0.000 1.046 63 T CA 2.060 64.156 62.100 -0.007 0.000 1.139 63 T CB -0.785 68.068 68.868 -0.025 0.000 0.871 63 T HN 0.572 nan 8.240 nan 0.000 0.454 64 N N 1.237 119.947 118.700 0.017 0.000 2.166 64 N HA 0.052 4.792 4.740 -0.000 0.000 0.186 64 N C 2.057 177.610 175.510 0.072 0.000 1.019 64 N CA 0.928 53.998 53.050 0.034 0.000 0.856 64 N CB -0.260 38.222 38.487 -0.008 0.000 0.993 64 N HN 0.442 nan 8.380 nan 0.000 0.426 65 R N -0.070 120.470 120.500 0.066 0.000 2.280 65 R HA 0.145 4.485 4.340 -0.000 0.000 0.207 65 R C 1.421 177.884 176.300 0.272 0.000 1.043 65 R CA 0.530 56.713 56.100 0.137 0.000 1.006 65 R CB -0.026 30.353 30.300 0.131 0.000 0.885 65 R HN 0.328 nan 8.270 nan 0.000 0.467 66 I N 0.137 120.814 120.570 0.177 0.000 2.703 66 I HA -0.147 4.023 4.170 -0.000 0.000 0.259 66 I C 1.884 178.165 176.117 0.274 0.000 1.151 66 I CA 0.836 62.231 61.300 0.160 0.000 1.470 66 I CB 0.015 38.092 38.000 0.128 0.000 1.112 66 I HN 0.149 nan 8.210 nan 0.000 0.437 67 Q N -0.098 119.854 119.800 0.255 0.000 2.123 67 Q HA -0.214 4.126 4.340 -0.000 0.000 0.199 67 Q C 2.053 178.196 176.000 0.238 0.000 0.966 67 Q CA 1.497 57.458 55.803 0.263 0.000 0.845 67 Q CB -0.196 28.640 28.738 0.164 0.000 0.907 67 Q HN 0.483 nan 8.270 nan 0.000 0.439 68 Y N 0.221 120.566 120.300 0.074 0.000 2.163 68 Y HA -0.316 4.234 4.550 -0.000 0.000 0.288 68 Y C 2.117 178.030 175.900 0.022 0.000 1.136 68 Y CA 1.511 59.612 58.100 0.002 0.000 1.147 68 Y CB -0.557 37.833 38.460 -0.116 0.000 0.987 68 Y HN 0.152 nan 8.280 nan 0.000 0.509 69 Y N -0.303 119.967 120.300 -0.050 0.000 2.151 69 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 69 Y C 1.584 177.068 175.900 -0.693 0.000 1.166 69 Y CA 2.054 60.002 58.100 -0.254 0.000 1.163 69 Y CB -0.905 37.368 38.460 -0.312 0.000 0.974 69 Y HN 0.102 nan 8.280 nan 0.000 0.511 70 F N -0.013 119.753 119.950 -0.307 0.000 2.805 70 F HA 0.007 4.534 4.527 -0.000 0.000 0.301 70 F C 1.432 177.011 175.800 -0.368 0.000 1.196 70 F CA 0.582 58.287 58.000 -0.492 0.000 1.439 70 F CB -0.362 38.592 39.000 -0.076 0.000 1.117 70 F HN 0.108 nan 8.300 nan 0.000 0.581 71 L N -1.806 119.270 121.223 -0.245 0.000 2.585 71 L HA 0.032 4.372 4.340 -0.000 0.000 0.226 71 L C 0.117 176.944 176.870 -0.072 0.000 1.113 71 L CA -0.110 54.675 54.840 -0.092 0.000 0.876 71 L CB -0.488 41.492 42.059 -0.131 0.000 1.072 71 L HN 0.050 nan 8.230 nan 0.000 0.468 72 Y N -0.340 119.777 120.300 -0.306 0.000 2.981 72 Y HA -0.204 4.346 4.550 -0.000 0.000 0.204 72 Y C -1.689 174.206 175.900 -0.009 0.000 1.265 72 Y CA -0.945 56.995 58.100 -0.267 0.000 0.941 72 Y CB -1.904 36.225 38.460 -0.551 0.000 1.254 72 Y HN 0.254 nan 8.280 nan 0.000 0.469 73 P HA 0.121 nan 4.420 nan 0.000 0.271 73 P C -0.186 177.192 177.300 0.130 0.000 1.233 73 P CA 0.356 63.426 63.100 -0.050 0.000 0.789 73 P CB 1.109 32.655 31.700 -0.257 0.000 0.951 74 H N -2.274 116.860 119.070 0.107 0.000 2.985 74 H HA 0.735 5.291 4.556 -0.000 0.000 0.360 74 H C -1.444 173.922 175.328 0.063 0.000 1.221 74 H CA -1.174 54.928 56.048 0.091 0.000 1.121 74 H CB 0.757 30.582 29.762 0.105 0.000 1.854 74 H HN 0.095 nan 8.280 nan 0.000 0.551 75 V N 1.111 121.143 119.914 0.196 0.000 2.769 75 V HA 0.492 4.611 4.120 -0.000 0.000 0.312 75 V C -0.350 175.846 176.094 0.169 0.000 1.061 75 V CA -0.774 61.605 62.300 0.131 0.000 0.931 75 V CB 2.205 34.068 31.823 0.066 0.000 1.010 75 V HN 1.007 nan 8.190 nan 0.000 0.433 76 T N 4.190 118.819 114.554 0.124 0.000 2.821 76 T HA 0.364 4.714 4.350 -0.000 0.000 0.307 76 T C -0.307 174.397 174.700 0.006 0.000 1.034 76 T CA -0.727 61.407 62.100 0.058 0.000 0.953 76 T CB 0.510 69.416 68.868 0.065 0.000 0.968 76 T HN 0.368 nan 8.240 nan 0.000 0.462 77 K N 2.935 123.321 120.400 -0.024 0.000 2.276 77 K HA 0.449 4.769 4.320 -0.000 0.000 0.283 77 K C -0.418 176.146 176.600 -0.060 0.000 1.044 77 K CA -0.720 55.547 56.287 -0.035 0.000 0.944 77 K CB 1.365 33.842 32.500 -0.038 0.000 1.012 77 K HN 0.396 nan 8.250 nan 0.000 0.472 78 L N 2.265 123.457 121.223 -0.052 0.000 2.362 78 L HA 0.559 4.899 4.340 -0.000 0.000 0.271 78 L C -1.138 175.693 176.870 -0.065 0.000 1.002 78 L CA -0.014 54.785 54.840 -0.069 0.000 0.818 78 L CB 1.804 43.831 42.059 -0.053 0.000 1.298 78 L HN 0.498 nan 8.230 nan 0.000 0.420 79 D N 2.801 123.147 120.400 -0.091 0.000 2.886 79 D HA 0.293 4.933 4.640 -0.000 0.000 0.216 79 D C -1.730 174.509 176.300 -0.103 0.000 1.256 79 D CA -0.258 53.697 54.000 -0.075 0.000 0.844 79 D CB 2.303 43.067 40.800 -0.060 0.000 1.669 79 D HN 0.648 nan 8.370 nan 0.000 0.513 80 E N 1.929 122.093 120.200 -0.059 0.000 2.255 80 E HA 0.512 4.862 4.350 -0.000 0.000 0.256 80 E C -0.969 175.633 176.600 0.002 0.000 0.887 80 E CA -0.666 55.705 56.400 -0.048 0.000 0.782 80 E CB 1.383 31.063 29.700 -0.034 0.000 1.214 80 E HN 0.302 nan 8.360 nan 0.000 0.417 81 V N 0.223 120.160 119.914 0.038 0.000 3.105 81 V HA 0.914 5.034 4.120 -0.000 0.000 0.311 81 V C -0.760 175.402 176.094 0.114 0.000 1.287 81 V CA -0.726 61.619 62.300 0.075 0.000 1.066 81 V CB 1.558 33.432 31.823 0.085 0.000 1.105 81 V HN 0.599 nan 8.190 nan 0.000 0.462 82 A N 0.933 123.810 122.820 0.095 0.000 2.690 82 A HA 0.891 5.211 4.320 -0.000 0.000 0.342 82 A C 0.481 178.109 177.584 0.074 0.000 1.410 82 A CA 0.040 52.132 52.037 0.092 0.000 0.958 82 A CB -0.606 18.436 19.000 0.070 0.000 1.153 82 A HN 2.009 nan 8.150 nan 0.000 0.497 83 A N 2.012 124.880 122.820 0.080 0.000 2.448 83 A HA 0.566 4.886 4.320 -0.000 0.000 0.239 83 A C 0.968 178.534 177.584 -0.030 0.000 1.080 83 A CA 0.610 52.647 52.037 -0.000 0.000 0.779 83 A CB -0.090 18.827 19.000 -0.139 0.000 1.026 83 A HN 1.307 nan 8.150 nan 0.000 0.499 84 T N -1.427 113.100 114.554 -0.045 0.000 2.943 84 T HA 0.575 4.925 4.350 -0.000 0.000 0.284 84 T C 0.132 174.798 174.700 -0.057 0.000 1.015 84 T CA -0.667 61.413 62.100 -0.033 0.000 1.042 84 T CB 0.773 69.631 68.868 -0.017 0.000 1.055 84 T HN 0.759 nan 8.240 nan 0.000 0.500 85 R N -0.176 120.304 120.500 -0.033 0.000 3.225 85 R HA -0.155 4.185 4.340 -0.000 0.000 0.245 85 R C -0.430 175.833 176.300 -0.063 0.000 0.928 85 R CA -0.157 55.926 56.100 -0.028 0.000 0.632 85 R CB -1.939 28.348 30.300 -0.021 0.000 1.038 85 R HN 0.567 nan 8.270 nan 0.000 0.461 86 L N 0.456 121.623 121.223 -0.094 0.000 2.426 86 L HA 0.101 4.440 4.340 -0.000 0.000 0.271 86 L C 0.502 177.320 176.870 -0.087 0.000 1.169 86 L CA 0.759 55.498 54.840 -0.168 0.000 0.836 86 L CB 1.298 43.200 42.059 -0.262 0.000 1.112 86 L HN 0.087 nan 8.230 nan 0.000 0.465 87 T N 5.765 120.268 114.554 -0.085 0.000 2.779 87 T HA 0.146 4.496 4.350 -0.000 0.000 0.296 87 T C -0.224 174.508 174.700 0.054 0.000 0.938 87 T CA 0.120 62.224 62.100 0.006 0.000 1.119 87 T CB -0.408 68.457 68.868 -0.004 0.000 0.891 87 T HN 0.340 nan 8.240 nan 0.000 0.526 88 F N 7.697 127.657 119.950 0.017 0.000 2.471 88 F HA 0.297 4.824 4.527 -0.000 0.000 0.353 88 F C -1.500 174.339 175.800 0.064 0.000 1.113 88 F CA -1.798 56.268 58.000 0.109 0.000 1.262 88 F CB 0.721 39.860 39.000 0.232 0.000 1.146 88 F HN 0.389 nan 8.300 nan 0.000 0.578 89 P HA 0.251 nan 4.420 nan 0.000 0.289 89 P C -1.630 175.537 177.300 -0.222 0.000 1.299 89 P CA -0.493 62.416 63.100 -0.318 0.000 0.766 89 P CB 0.626 31.906 31.700 -0.700 0.000 1.226 90 A N -0.179 122.444 122.820 -0.329 0.000 2.310 90 A HA 0.536 4.855 4.320 -0.000 0.000 0.299 90 A C -0.554 176.834 177.584 -0.326 0.000 1.147 90 A CA -0.523 51.319 52.037 -0.325 0.000 0.818 90 A CB 0.312 19.009 19.000 -0.504 0.000 1.096 90 A HN 0.285 nan 8.150 nan 0.000 0.495 91 V N 2.576 122.494 119.914 0.007 0.000 2.409 91 V HA 0.405 4.525 4.120 -0.000 0.000 0.290 91 V C -0.070 176.199 176.094 0.291 0.000 1.017 91 V CA -0.349 62.044 62.300 0.155 0.000 0.841 91 V CB 1.451 33.447 31.823 0.288 0.000 1.003 91 V HN 0.949 nan 8.190 nan 0.000 0.426 92 T N 6.280 121.014 114.554 0.301 0.000 2.829 92 T HA 0.784 5.134 4.350 -0.000 0.000 0.282 92 T C -0.635 174.209 174.700 0.241 0.000 0.990 92 T CA -0.205 62.062 62.100 0.279 0.000 1.028 92 T CB 1.040 70.055 68.868 0.246 0.000 0.951 92 T HN 0.603 nan 8.240 nan 0.000 0.460 93 F N 0.113 120.105 119.950 0.069 0.000 2.613 93 F HA 0.801 5.328 4.527 -0.000 0.000 0.310 93 F C -1.432 174.334 175.800 -0.058 0.000 1.085 93 F CA -1.313 56.661 58.000 -0.042 0.000 0.945 93 F CB 0.723 39.700 39.000 -0.039 0.000 1.298 93 F HN 0.523 nan 8.300 nan 0.000 0.455 94 c N 2.372 120.886 118.600 -0.142 0.000 2.797 94 c HA 0.502 5.072 4.570 -0.000 0.000 0.306 94 c C -0.453 173.520 174.090 -0.194 0.000 1.207 94 c CA -0.881 55.275 56.329 -0.288 0.000 1.507 94 c CB 1.583 43.857 42.510 -0.394 0.000 2.028 94 c HN 0.906 nan 8.230 nan 0.000 0.475 95 N N 1.033 119.628 118.700 -0.175 0.000 2.530 95 N HA 0.223 4.963 4.740 -0.000 0.000 0.273 95 N C 0.751 176.076 175.510 -0.308 0.000 1.173 95 N CA -0.112 52.815 53.050 -0.204 0.000 0.967 95 N CB 0.759 39.032 38.487 -0.357 0.000 1.109 95 N HN 0.692 nan 8.380 nan 0.000 0.453 96 L N 1.446 122.510 121.223 -0.266 0.000 2.275 96 L HA -0.034 4.306 4.340 -0.000 0.000 0.215 96 L C 1.237 177.952 176.870 -0.259 0.000 1.119 96 L CA 0.525 55.210 54.840 -0.259 0.000 0.790 96 L CB -0.370 41.633 42.059 -0.092 0.000 0.919 96 L HN 0.571 nan 8.230 nan 0.000 0.443 97 N N 0.723 119.128 118.700 -0.492 0.000 2.444 97 N HA 0.009 4.748 4.740 -0.000 0.000 0.271 97 N C 0.374 175.736 175.510 -0.246 0.000 1.069 97 N CA -0.071 52.628 53.050 -0.584 0.000 0.965 97 N CB 1.272 38.987 38.487 -1.286 0.000 1.092 97 N HN 0.183 nan 8.380 nan 0.000 0.476 98 E N 2.424 122.473 120.200 -0.252 0.000 2.190 98 E HA 0.033 4.383 4.350 -0.000 0.000 0.191 98 E C -0.535 175.595 176.600 -0.782 0.000 0.978 98 E CA 0.797 56.903 56.400 -0.490 0.000 0.839 98 E CB 0.313 29.607 29.700 -0.676 0.000 0.787 98 E HN 0.493 nan 8.360 nan 0.000 0.473 99 F N 0.469 120.357 119.950 -0.103 0.000 2.539 99 F HA 0.387 4.914 4.527 -0.000 0.000 0.318 99 F C 0.044 175.753 175.800 -0.152 0.000 1.135 99 F CA -1.056 56.817 58.000 -0.212 0.000 0.915 99 F CB 1.336 40.177 39.000 -0.265 0.000 1.176 99 F HN -0.403 nan 8.300 nan 0.000 0.440 100 R N 2.255 122.708 120.500 -0.077 0.000 2.401 100 R HA 0.102 4.442 4.340 -0.000 0.000 0.299 100 R C 0.983 177.342 176.300 0.098 0.000 1.064 100 R CA -0.255 55.795 56.100 -0.083 0.000 1.000 100 R CB 0.338 30.508 30.300 -0.217 0.000 0.973 100 R HN 0.739 nan 8.270 nan 0.000 0.438 101 F N 2.888 122.850 119.950 0.020 0.000 2.091 101 F HA -0.286 4.241 4.527 -0.000 0.000 0.299 101 F C 2.233 178.051 175.800 0.031 0.000 1.103 101 F CA 2.332 60.350 58.000 0.030 0.000 1.228 101 F CB -0.280 38.745 39.000 0.041 0.000 0.984 101 F HN 0.562 nan 8.300 nan 0.000 0.477 102 S N -0.166 115.478 115.700 -0.093 0.000 2.507 102 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 102 S C 1.857 176.378 174.600 -0.133 0.000 0.988 102 S CA 0.490 58.574 58.200 -0.192 0.000 0.944 102 S CB -0.513 62.661 63.200 -0.044 0.000 0.762 102 S HN 0.427 nan 8.310 nan 0.000 0.526 103 R N 0.705 121.165 120.500 -0.067 0.000 2.300 103 R HA 0.294 4.634 4.340 -0.000 0.000 0.199 103 R C -0.248 176.084 176.300 0.053 0.000 0.920 103 R CA 0.053 56.147 56.100 -0.010 0.000 1.046 103 R CB -0.030 30.268 30.300 -0.004 0.000 0.984 103 R HN 0.333 nan 8.270 nan 0.000 0.493 104 V N 3.270 123.194 119.914 0.017 0.000 2.427 104 V HA 0.029 4.149 4.120 -0.000 0.000 0.268 104 V C 0.976 177.072 176.094 0.004 0.000 1.046 104 V CA -0.030 62.331 62.300 0.102 0.000 0.970 104 V CB 0.957 32.821 31.823 0.068 0.000 1.001 104 V HN 0.284 nan 8.190 nan 0.000 0.476 105 T N 1.784 116.373 114.554 0.058 0.000 2.862 105 T HA 0.315 4.665 4.350 -0.000 0.000 0.276 105 T C 1.130 175.827 174.700 -0.004 0.000 0.974 105 T CA -0.505 61.607 62.100 0.019 0.000 0.966 105 T CB 1.331 70.239 68.868 0.068 0.000 1.072 105 T HN 0.553 nan 8.240 nan 0.000 0.538 106 K N 0.422 120.805 120.400 -0.029 0.000 2.032 106 K HA -0.217 4.102 4.320 -0.000 0.000 0.209 106 K C 2.142 178.721 176.600 -0.035 0.000 1.048 106 K CA 1.884 58.118 56.287 -0.088 0.000 0.927 106 K CB -0.394 31.963 32.500 -0.238 0.000 0.712 106 K HN 0.639 nan 8.250 nan 0.000 0.441 107 N N 0.860 119.605 118.700 0.075 0.000 2.166 107 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 107 N C 1.131 176.706 175.510 0.108 0.000 1.019 107 N CA 1.706 54.902 53.050 0.243 0.000 0.856 107 N CB -0.058 38.631 38.487 0.336 0.000 0.993 107 N HN 0.238 nan 8.380 nan 0.000 0.426 108 D N -0.068 120.318 120.400 -0.023 0.000 2.117 108 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 108 D C 1.881 177.937 176.300 -0.406 0.000 0.987 108 D CA 0.561 54.357 54.000 -0.339 0.000 0.829 108 D CB -0.402 40.242 40.800 -0.260 0.000 0.961 108 D HN 0.222 nan 8.370 nan 0.000 0.460 109 L N 0.107 121.249 121.223 -0.136 0.000 2.046 109 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 109 L C 2.268 179.121 176.870 -0.028 0.000 1.077 109 L CA 1.442 56.263 54.840 -0.032 0.000 0.747 109 L CB -0.821 41.310 42.059 0.121 0.000 0.896 109 L HN 0.042 nan 8.230 nan 0.000 0.432 110 Y N -0.588 119.577 120.300 -0.225 0.000 2.128 110 Y HA -0.325 4.225 4.550 -0.000 0.000 0.284 110 Y C 2.538 178.141 175.900 -0.495 0.000 1.154 110 Y CA 2.366 60.075 58.100 -0.652 0.000 1.149 110 Y CB -0.219 37.738 38.460 -0.838 0.000 0.976 110 Y HN 0.408 nan 8.280 nan 0.000 0.505 111 H N -1.426 117.379 119.070 -0.441 0.000 2.384 111 H HA 0.230 4.786 4.556 -0.000 0.000 0.300 111 H C 1.864 176.809 175.328 -0.638 0.000 1.057 111 H CA 1.253 56.924 56.048 -0.629 0.000 1.370 111 H CB -0.071 28.987 29.762 -1.172 0.000 1.417 111 H HN 0.338 nan 8.280 nan 0.000 0.527 112 A N 0.070 122.520 122.820 -0.617 0.000 2.431 112 A HA 0.299 4.619 4.320 -0.000 0.000 0.239 112 A C 2.350 179.766 177.584 -0.279 0.000 1.230 112 A CA 0.541 52.303 52.037 -0.459 0.000 0.928 112 A CB -0.426 18.197 19.000 -0.628 0.000 1.006 112 A HN 0.429 nan 8.150 nan 0.000 0.520 113 G N 0.397 109.070 108.800 -0.212 0.000 2.476 113 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 113 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 113 G C 1.374 176.241 174.900 -0.056 0.000 1.164 113 G CA 1.273 46.322 45.100 -0.085 0.000 0.768 113 G HN 0.623 nan 8.290 nan 0.000 0.560 114 E N -0.329 119.819 120.200 -0.088 0.000 2.051 114 E HA -0.114 4.235 4.350 -0.000 0.000 0.192 114 E C 2.442 179.018 176.600 -0.040 0.000 0.991 114 E CA 0.899 57.257 56.400 -0.071 0.000 0.799 114 E CB -0.206 29.410 29.700 -0.140 0.000 0.748 114 E HN 0.315 nan 8.360 nan 0.000 0.449 115 L N 0.872 122.061 121.223 -0.056 0.000 2.042 115 L HA -0.161 4.178 4.340 -0.000 0.000 0.210 115 L C 1.885 178.758 176.870 0.005 0.000 1.076 115 L CA 1.641 56.473 54.840 -0.013 0.000 0.749 115 L CB -0.206 41.835 42.059 -0.029 0.000 0.893 115 L HN 0.193 nan 8.230 nan 0.000 0.432 116 L N -0.133 121.070 121.223 -0.034 0.000 2.612 116 L HA 0.233 4.573 4.340 -0.000 0.000 0.230 116 L C 1.464 178.339 176.870 0.009 0.000 1.140 116 L CA 0.355 55.187 54.840 -0.015 0.000 0.896 116 L CB -0.760 41.249 42.059 -0.084 0.000 1.065 116 L HN 0.438 nan 8.230 nan 0.000 0.447 117 A N -0.133 122.710 122.820 0.038 0.000 2.847 117 A HA -0.225 4.095 4.320 -0.000 0.000 0.263 117 A C 1.266 178.947 177.584 0.161 0.000 1.391 117 A CA 1.132 53.229 52.037 0.099 0.000 0.866 117 A CB -2.016 17.059 19.000 0.125 0.000 1.057 117 A HN 0.459 nan 8.150 nan 0.000 0.673 118 L N -1.905 119.372 121.223 0.090 0.000 2.416 118 L HA 0.322 4.662 4.340 -0.000 0.000 0.216 118 L C 0.867 177.921 176.870 0.305 0.000 1.098 118 L CA 0.582 55.505 54.840 0.140 0.000 0.840 118 L CB 0.001 42.031 42.059 -0.049 0.000 0.981 118 L HN 0.511 nan 8.230 nan 0.000 0.462 119 L N -1.053 120.276 121.223 0.177 0.000 2.333 119 L HA 0.419 4.759 4.340 -0.000 0.000 0.263 119 L C -0.450 176.463 176.870 0.072 0.000 1.014 119 L CA -0.841 54.088 54.840 0.148 0.000 0.820 119 L CB 1.801 43.937 42.059 0.128 0.000 1.352 119 L HN -0.037 nan 8.230 nan 0.000 0.421 120 N N 0.599 119.325 118.700 0.042 0.000 2.431 120 N HA 0.078 4.818 4.740 -0.000 0.000 0.289 120 N C 0.455 175.906 175.510 -0.098 0.000 1.277 120 N CA -0.336 52.708 53.050 -0.009 0.000 0.972 120 N CB 0.272 38.758 38.487 -0.002 0.000 1.143 120 N HN 0.651 nan 8.380 nan 0.000 0.578 121 N N -0.411 118.219 118.700 -0.117 0.000 2.609 121 N HA -0.080 4.660 4.740 -0.000 0.000 0.190 121 N C 0.574 175.907 175.510 -0.295 0.000 1.157 121 N CA 0.799 53.728 53.050 -0.202 0.000 0.918 121 N CB 0.122 38.528 38.487 -0.135 0.000 0.978 121 N HN 0.232 nan 8.380 nan 0.000 0.448 122 R N -0.736 119.635 120.500 -0.216 0.000 2.700 122 R HA 0.201 4.541 4.340 -0.000 0.000 0.399 122 R C -0.925 175.349 176.300 -0.045 0.000 1.115 122 R CA -0.846 55.150 56.100 -0.173 0.000 1.058 122 R CB -0.994 29.280 30.300 -0.043 0.000 1.389 122 R HN 0.135 nan 8.270 nan 0.000 0.582 123 Y N -1.116 119.162 120.300 -0.037 0.000 3.589 123 Y HA -0.329 4.220 4.550 -0.000 0.000 0.218 123 Y C -0.611 175.406 175.900 0.196 0.000 1.234 123 Y CA 0.789 58.910 58.100 0.034 0.000 1.576 123 Y CB -1.944 36.486 38.460 -0.051 0.000 1.487 123 Y HN 0.318 nan 8.280 nan 0.000 0.616 124 E N -0.437 119.890 120.200 0.212 0.000 2.288 124 E HA 0.630 4.980 4.350 -0.000 0.000 0.268 124 E C -0.260 176.415 176.600 0.127 0.000 0.885 124 E CA -1.207 55.287 56.400 0.156 0.000 0.767 124 E CB 1.946 31.703 29.700 0.095 0.000 1.220 124 E HN 0.126 nan 8.360 nan 0.000 0.427 125 I N 3.213 123.844 120.570 0.103 0.000 2.471 125 I HA 0.151 4.321 4.170 -0.000 0.000 0.286 125 I C -2.082 174.044 176.117 0.015 0.000 1.079 125 I CA -1.854 59.514 61.300 0.113 0.000 1.398 125 I CB 0.377 38.440 38.000 0.105 0.000 1.403 125 I HN 0.167 nan 8.210 nan 0.000 0.530 126 P HA 0.037 nan 4.420 nan 0.000 0.267 126 P C -0.065 177.104 177.300 -0.218 0.000 1.209 126 P CA 0.259 63.302 63.100 -0.095 0.000 0.763 126 P CB 0.404 32.067 31.700 -0.062 0.000 0.816 127 D N 2.573 122.884 120.400 -0.147 0.000 3.551 127 D HA -0.240 4.400 4.640 -0.000 0.000 0.248 127 D C 0.404 176.593 176.300 -0.185 0.000 1.937 127 D CA 2.144 56.053 54.000 -0.153 0.000 1.068 127 D CB -0.778 39.926 40.800 -0.161 0.000 0.837 127 D HN 0.392 nan 8.370 nan 0.000 0.985 128 T N -1.167 113.284 114.554 -0.171 0.000 3.028 128 T HA 0.140 4.490 4.350 -0.000 0.000 0.262 128 T C 0.036 174.639 174.700 -0.161 0.000 0.916 128 T CA -0.320 61.688 62.100 -0.152 0.000 0.873 128 T CB 0.408 69.223 68.868 -0.088 0.000 1.232 128 T HN 0.233 nan 8.240 nan 0.000 0.529 129 Q N 0.630 120.330 119.800 -0.166 0.000 2.527 129 Q HA 0.490 4.830 4.340 -0.000 0.000 0.220 129 Q C 0.716 176.599 176.000 -0.195 0.000 1.014 129 Q CA -0.154 55.564 55.803 -0.141 0.000 0.978 129 Q CB 0.297 28.979 28.738 -0.094 0.000 1.245 129 Q HN 0.189 nan 8.270 nan 0.000 0.513 130 T N -1.554 112.921 114.554 -0.132 0.000 7.578 130 T HA -0.204 4.146 4.350 -0.000 0.000 0.299 130 T C -0.095 174.521 174.700 -0.139 0.000 2.097 130 T CA 1.454 63.480 62.100 -0.123 0.000 3.248 130 T CB -1.194 67.588 68.868 -0.143 0.000 2.014 130 T HN 0.835 nan 8.240 nan 0.000 1.198 131 A N 0.234 122.944 122.820 -0.183 0.000 2.527 131 A HA 0.663 4.983 4.320 -0.000 0.000 0.293 131 A C -0.806 176.791 177.584 0.022 0.000 1.117 131 A CA -0.475 51.515 52.037 -0.078 0.000 0.723 131 A CB 1.283 20.006 19.000 -0.462 0.000 1.313 131 A HN 0.232 nan 8.150 nan 0.000 0.411 132 D N 0.449 120.929 120.400 0.133 0.000 2.358 132 D HA 0.171 4.811 4.640 -0.000 0.000 0.258 132 D C 1.380 177.727 176.300 0.077 0.000 1.223 132 D CA 0.599 54.650 54.000 0.085 0.000 0.886 132 D CB 0.716 41.565 40.800 0.082 0.000 1.120 132 D HN 0.577 nan 8.370 nan 0.000 0.482 133 E N 3.653 123.877 120.200 0.039 0.000 2.097 133 E HA -0.347 4.003 4.350 -0.000 0.000 0.196 133 E C 1.523 178.161 176.600 0.063 0.000 1.000 133 E CA 0.976 57.396 56.400 0.034 0.000 0.804 133 E CB -0.079 29.631 29.700 0.016 0.000 0.740 133 E HN 0.482 nan 8.360 nan 0.000 0.454 134 K N 0.697 121.137 120.400 0.068 0.000 2.009 134 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 134 K C 2.439 179.117 176.600 0.129 0.000 1.049 134 K CA 2.066 58.404 56.287 0.084 0.000 0.929 134 K CB -0.021 32.524 32.500 0.075 0.000 0.714 134 K HN 0.219 nan 8.250 nan 0.000 0.440 135 Q N 0.274 120.157 119.800 0.137 0.000 2.079 135 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 135 Q C 2.165 178.339 176.000 0.290 0.000 0.974 135 Q CA 1.144 57.063 55.803 0.194 0.000 0.840 135 Q CB -0.116 28.610 28.738 -0.018 0.000 0.898 135 Q HN 0.244 nan 8.270 nan 0.000 0.430 136 L N 1.548 122.927 121.223 0.259 0.000 2.013 136 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 136 L C 1.821 178.802 176.870 0.184 0.000 1.073 136 L CA 1.943 56.935 54.840 0.254 0.000 0.753 136 L CB -0.328 41.782 42.059 0.086 0.000 0.890 136 L HN 0.175 nan 8.230 nan 0.000 0.432 137 E N -0.395 119.882 120.200 0.129 0.000 2.058 137 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 137 E C 2.267 178.926 176.600 0.099 0.000 0.997 137 E CA 1.809 58.261 56.400 0.088 0.000 0.801 137 E CB -0.312 29.428 29.700 0.067 0.000 0.746 137 E HN 0.597 nan 8.360 nan 0.000 0.450 138 I N 0.988 121.651 120.570 0.154 0.000 2.208 138 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 138 I C 2.226 178.409 176.117 0.110 0.000 1.097 138 I CA 0.744 62.127 61.300 0.139 0.000 1.363 138 I CB -0.247 37.897 38.000 0.239 0.000 1.051 138 I HN 0.169 nan 8.210 nan 0.000 0.413 139 L N 0.278 121.625 121.223 0.207 0.000 2.056 139 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 139 L C 2.587 179.482 176.870 0.042 0.000 1.078 139 L CA 1.822 56.759 54.840 0.160 0.000 0.749 139 L CB -1.461 40.788 42.059 0.318 0.000 0.901 139 L HN 0.384 nan 8.230 nan 0.000 0.433 140 Q N -0.571 119.261 119.800 0.054 0.000 2.197 140 Q HA -0.272 4.068 4.340 -0.000 0.000 0.207 140 Q C 1.768 177.714 176.000 -0.089 0.000 0.984 140 Q CA 1.929 57.719 55.803 -0.021 0.000 0.869 140 Q CB -0.115 28.624 28.738 0.002 0.000 0.906 140 Q HN 0.492 nan 8.270 nan 0.000 0.426 141 D N 0.527 120.887 120.400 -0.067 0.000 2.137 141 D HA -0.092 4.548 4.640 -0.000 0.000 0.202 141 D C 1.337 177.537 176.300 -0.166 0.000 0.970 141 D CA 1.036 54.980 54.000 -0.094 0.000 0.837 141 D CB 0.189 40.958 40.800 -0.052 0.000 0.981 141 D HN 0.015 nan 8.370 nan 0.000 0.475 142 K N -0.394 119.908 120.400 -0.163 0.000 2.366 142 K HA 0.170 4.490 4.320 -0.000 0.000 0.198 142 K C 1.550 177.897 176.600 -0.421 0.000 1.044 142 K CA 0.685 56.839 56.287 -0.221 0.000 0.973 142 K CB 0.283 32.697 32.500 -0.143 0.000 0.767 142 K HN 0.107 nan 8.250 nan 0.000 0.475 143 A N 1.275 123.817 122.820 -0.463 0.000 2.275 143 A HA -0.006 4.314 4.320 -0.000 0.000 0.212 143 A C 0.630 177.495 177.584 -1.198 0.000 1.201 143 A CA -0.168 51.374 52.037 -0.826 0.000 0.843 143 A CB -0.103 18.716 19.000 -0.302 0.000 0.873 143 A HN 0.139 nan 8.150 nan 0.000 0.492 144 N N 0.742 119.004 118.700 -0.730 0.000 2.421 144 N HA 0.106 4.846 4.740 -0.000 0.000 0.260 144 N C -1.019 174.199 175.510 -0.485 0.000 1.173 144 N CA -0.019 52.749 53.050 -0.469 0.000 0.960 144 N CB -0.057 38.294 38.487 -0.228 0.000 1.273 144 N HN 0.169 nan 8.380 nan 0.000 0.497 145 F N 2.094 122.017 119.950 -0.046 0.000 2.713 145 F HA 0.307 4.834 4.527 -0.000 0.000 0.294 145 F C 0.901 176.747 175.800 0.077 0.000 1.152 145 F CA -0.561 57.429 58.000 -0.016 0.000 1.385 145 F CB -0.201 38.805 39.000 0.011 0.000 0.981 145 F HN 0.131 nan 8.300 nan 0.000 0.514 146 R N 1.718 122.313 120.500 0.158 0.000 2.473 146 R HA -0.025 4.315 4.340 -0.000 0.000 0.315 146 R C 0.657 177.041 176.300 0.140 0.000 0.972 146 R CA 0.182 56.356 56.100 0.123 0.000 1.047 146 R CB -0.365 29.973 30.300 0.064 0.000 0.932 146 R HN 0.253 nan 8.270 nan 0.000 0.411 147 N N 1.315 120.083 118.700 0.114 0.000 2.678 147 N HA -0.281 4.459 4.740 -0.000 0.000 0.249 147 N C -0.426 175.128 175.510 0.075 0.000 1.119 147 N CA 1.037 54.128 53.050 0.068 0.000 0.718 147 N CB -0.987 37.523 38.487 0.038 0.000 1.060 147 N HN 0.420 nan 8.380 nan 0.000 0.552 148 F N 1.807 121.746 119.950 -0.018 0.000 2.484 148 F HA 0.190 4.717 4.527 -0.000 0.000 0.360 148 F C 0.902 176.595 175.800 -0.179 0.000 1.101 148 F CA -0.188 57.775 58.000 -0.062 0.000 1.251 148 F CB 0.596 39.608 39.000 0.020 0.000 1.132 148 F HN -0.100 nan 8.300 nan 0.000 0.570 149 K N 8.751 128.522 120.400 -1.049 0.000 2.334 149 K HA 0.366 4.686 4.320 -0.000 0.000 0.265 149 K C -2.567 173.275 176.600 -1.263 0.000 1.039 149 K CA -2.264 53.505 56.287 -0.863 0.000 0.920 149 K CB 0.668 32.877 32.500 -0.484 0.000 1.160 149 K HN 0.362 nan 8.250 nan 0.000 0.451 150 P HA 0.003 nan 4.420 nan 0.000 0.265 150 P C -1.029 176.100 177.300 -0.285 0.000 1.193 150 P CA -0.014 62.675 63.100 -0.684 0.000 0.765 150 P CB 0.842 32.112 31.700 -0.716 0.000 0.823 151 K N 2.974 123.337 120.400 -0.062 0.000 2.258 151 K HA 0.539 4.858 4.320 -0.000 0.000 0.236 151 K C -2.435 174.198 176.600 0.055 0.000 1.008 151 K CA -2.500 53.777 56.287 -0.017 0.000 0.869 151 K CB -0.279 32.210 32.500 -0.017 0.000 1.171 151 K HN 0.228 nan 8.250 nan 0.000 0.447 152 P HA 0.026 nan 4.420 nan 0.000 0.264 152 P C -0.911 176.354 177.300 -0.059 0.000 1.183 152 P CA 0.302 63.398 63.100 -0.007 0.000 0.763 152 P CB 0.187 31.880 31.700 -0.012 0.000 0.807 153 F N 3.014 122.756 119.950 -0.345 0.000 2.540 153 F HA 0.526 5.053 4.527 -0.000 0.000 0.317 153 F C -0.752 174.919 175.800 -0.215 0.000 1.104 153 F CA -0.684 57.056 58.000 -0.435 0.000 0.913 153 F CB 1.658 40.047 39.000 -1.019 0.000 1.170 153 F HN 0.148 nan 8.300 nan 0.000 0.450 154 N N 6.925 125.102 118.700 -0.871 0.000 2.410 154 N HA 0.174 4.914 4.740 -0.000 0.000 0.287 154 N C 0.431 175.500 175.510 -0.734 0.000 1.044 154 N CA -0.418 52.314 53.050 -0.529 0.000 0.881 154 N CB 1.598 39.913 38.487 -0.287 0.000 1.405 154 N HN 0.696 nan 8.380 nan 0.000 0.490 155 M N 2.482 121.849 119.600 -0.388 0.000 2.108 155 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 155 M C 1.796 178.035 176.300 -0.102 0.000 1.066 155 M CA 1.197 56.399 55.300 -0.163 0.000 1.107 155 M CB -0.823 31.831 32.600 0.090 0.000 1.356 155 M HN 0.613 nan 8.290 nan 0.000 0.406 156 L N 0.773 121.817 121.223 -0.298 0.000 2.017 156 L HA -0.149 4.190 4.340 -0.000 0.000 0.208 156 L C 2.372 179.091 176.870 -0.252 0.000 1.073 156 L CA 1.954 56.531 54.840 -0.438 0.000 0.745 156 L CB -0.952 40.635 42.059 -0.788 0.000 0.894 156 L HN 0.298 nan 8.230 nan 0.000 0.432 157 E N -0.821 119.245 120.200 -0.223 0.000 2.118 157 E HA -0.286 4.063 4.350 -0.000 0.000 0.195 157 E C 2.171 178.756 176.600 -0.025 0.000 0.992 157 E CA 1.440 57.762 56.400 -0.129 0.000 0.804 157 E CB -0.391 29.209 29.700 -0.168 0.000 0.741 157 E HN 0.527 nan 8.360 nan 0.000 0.458 158 F N 0.509 120.295 119.950 -0.274 0.000 2.102 158 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 158 F C 2.069 177.899 175.800 0.049 0.000 1.105 158 F CA 1.366 59.270 58.000 -0.160 0.000 1.239 158 F CB -0.968 37.873 39.000 -0.265 0.000 0.991 158 F HN 0.042 nan 8.300 nan 0.000 0.474 159 Y N 0.108 120.413 120.300 0.009 0.000 2.181 159 Y HA -0.263 4.287 4.550 -0.000 0.000 0.288 159 Y C 2.476 178.404 175.900 0.048 0.000 1.146 159 Y CA 1.716 59.810 58.100 -0.010 0.000 1.164 159 Y CB -0.497 37.991 38.460 0.047 0.000 0.982 159 Y HN 0.130 nan 8.280 nan 0.000 0.515 160 D N -0.205 120.353 120.400 0.263 0.000 2.144 160 D HA -0.169 4.470 4.640 -0.000 0.000 0.200 160 D C 2.217 178.590 176.300 0.122 0.000 0.978 160 D CA 1.202 55.358 54.000 0.260 0.000 0.833 160 D CB -0.050 40.883 40.800 0.222 0.000 0.961 160 D HN 0.174 nan 8.370 nan 0.000 0.470 161 R N -0.529 120.013 120.500 0.069 0.000 2.080 161 R HA 0.162 4.502 4.340 -0.000 0.000 0.222 161 R C 1.941 178.243 176.300 0.003 0.000 1.107 161 R CA 1.121 57.249 56.100 0.047 0.000 0.980 161 R CB -0.148 30.193 30.300 0.069 0.000 0.879 161 R HN 0.129 nan 8.270 nan 0.000 0.439 162 A N 0.611 123.386 122.820 -0.075 0.000 2.081 162 A HA 0.240 4.560 4.320 -0.000 0.000 0.214 162 A C 1.101 178.604 177.584 -0.135 0.000 1.158 162 A CA 0.462 52.421 52.037 -0.129 0.000 0.724 162 A CB -0.368 18.438 19.000 -0.323 0.000 0.826 162 A HN 0.450 nan 8.150 nan 0.000 0.463 163 G N -0.507 108.234 108.800 -0.098 0.000 2.614 163 G HA2 0.310 4.269 3.960 -0.000 0.000 0.239 163 G HA3 0.310 4.269 3.960 -0.000 0.000 0.239 163 G C -0.203 174.665 174.900 -0.053 0.000 1.240 163 G CA -0.341 44.708 45.100 -0.085 0.000 0.842 163 G HN 0.498 nan 8.290 nan 0.000 0.584 164 H N 0.223 119.288 119.070 -0.007 0.000 2.972 164 H HA 0.001 4.557 4.556 -0.000 0.000 0.343 164 H C -0.313 175.075 175.328 0.100 0.000 1.054 164 H CA 0.464 56.538 56.048 0.044 0.000 1.412 164 H CB 1.223 31.010 29.762 0.043 0.000 1.385 164 H HN 0.404 nan 8.280 nan 0.000 0.600 165 D N 2.522 123.007 120.400 0.141 0.000 2.280 165 D HA -0.015 4.625 4.640 -0.000 0.000 0.243 165 D C 1.055 177.299 176.300 -0.094 0.000 1.129 165 D CA -0.539 53.504 54.000 0.071 0.000 0.848 165 D CB 0.809 41.630 40.800 0.036 0.000 1.107 165 D HN 0.398 nan 8.370 nan 0.000 0.471 166 I N 4.606 124.929 120.570 -0.412 0.000 2.335 166 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 166 I C 1.985 177.903 176.117 -0.332 0.000 1.129 166 I CA 1.431 62.312 61.300 -0.697 0.000 1.402 166 I CB 0.063 37.305 38.000 -1.263 0.000 1.069 166 I HN 0.404 nan 8.210 nan 0.000 0.424 167 R N 0.111 120.500 120.500 -0.185 0.000 2.152 167 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 167 R C 1.930 178.191 176.300 -0.066 0.000 1.117 167 R CA 1.578 57.620 56.100 -0.097 0.000 0.981 167 R CB -0.215 30.060 30.300 -0.041 0.000 0.870 167 R HN 0.554 nan 8.270 nan 0.000 0.451 168 E N -0.302 119.867 120.200 -0.051 0.000 2.201 168 E HA 0.023 4.372 4.350 -0.000 0.000 0.193 168 E C 1.934 178.518 176.600 -0.027 0.000 0.957 168 E CA 0.461 56.853 56.400 -0.013 0.000 0.858 168 E CB 0.170 29.888 29.700 0.030 0.000 0.816 168 E HN 0.249 nan 8.360 nan 0.000 0.475 169 M N 0.655 120.225 119.600 -0.049 0.000 2.200 169 M HA -0.033 4.447 4.480 -0.000 0.000 0.265 169 M C 0.798 177.014 176.300 -0.141 0.000 1.066 169 M CA 0.510 55.771 55.300 -0.064 0.000 1.127 169 M CB 0.021 32.602 32.600 -0.032 0.000 1.379 169 M HN 0.055 nan 8.290 nan 0.000 0.420 170 L N 1.783 122.895 121.223 -0.185 0.000 2.433 170 L HA 0.061 4.401 4.340 -0.000 0.000 0.284 170 L C 0.674 177.465 176.870 -0.132 0.000 1.120 170 L CA 0.362 55.078 54.840 -0.208 0.000 0.879 170 L CB 0.154 42.047 42.059 -0.277 0.000 1.232 170 L HN 0.210 nan 8.230 nan 0.000 0.454 171 L N 2.617 123.752 121.223 -0.146 0.000 2.162 171 L HA 0.158 4.498 4.340 -0.000 0.000 0.205 171 L C 0.772 177.661 176.870 0.032 0.000 1.086 171 L CA 0.666 55.441 54.840 -0.108 0.000 0.778 171 L CB -0.356 41.467 42.059 -0.393 0.000 0.928 171 L HN 0.794 nan 8.230 nan 0.000 0.446 172 S N -2.056 113.650 115.700 0.010 0.000 2.550 172 S HA 0.523 4.992 4.470 -0.000 0.000 0.270 172 S C -1.221 173.398 174.600 0.031 0.000 1.145 172 S CA -1.038 57.206 58.200 0.073 0.000 0.852 172 S CB 2.243 65.573 63.200 0.217 0.000 1.119 172 S HN 0.091 nan 8.310 nan 0.000 0.465 173 c N 2.385 120.960 118.600 -0.042 0.000 2.871 173 c HA 0.823 5.393 4.570 -0.000 0.000 0.378 173 c C -2.215 171.717 174.090 -0.264 0.000 1.052 173 c CA -0.441 55.863 56.329 -0.042 0.000 1.250 173 c CB -0.262 42.272 42.510 0.041 0.000 1.689 173 c HN 0.834 nan 8.230 nan 0.000 0.506 174 F N 4.738 124.704 119.950 0.027 0.000 2.581 174 F HA 0.647 5.174 4.527 -0.000 0.000 0.311 174 F C -0.677 175.150 175.800 0.044 0.000 1.113 174 F CA -0.556 57.469 58.000 0.041 0.000 0.935 174 F CB 1.881 40.888 39.000 0.010 0.000 1.232 174 F HN 0.587 nan 8.300 nan 0.000 0.445 175 F N 4.179 124.187 119.950 0.096 0.000 2.499 175 F HA 0.542 5.069 4.527 -0.000 0.000 0.333 175 F C 0.321 176.149 175.800 0.046 0.000 1.138 175 F CA -0.946 57.054 58.000 0.001 0.000 0.945 175 F CB 0.957 39.974 39.000 0.028 0.000 1.181 175 F HN 0.547 nan 8.300 nan 0.000 0.435 176 R N 4.477 124.613 120.500 -0.607 0.000 3.158 176 R HA -0.207 4.132 4.340 -0.000 0.000 0.244 176 R C 1.015 177.258 176.300 -0.095 0.000 0.900 176 R CA 0.838 56.698 56.100 -0.399 0.000 0.618 176 R CB -1.905 28.083 30.300 -0.519 0.000 1.061 176 R HN 1.416 nan 8.270 nan 0.000 0.471 177 G N -0.510 108.284 108.800 -0.010 0.000 2.175 177 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.265 177 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.265 177 G C -0.085 174.949 174.900 0.223 0.000 0.979 177 G CA 0.786 45.923 45.100 0.063 0.000 0.663 177 G HN 0.477 nan 8.290 nan 0.000 0.533 178 E N 0.140 120.510 120.200 0.283 0.000 2.176 178 E HA 0.335 4.685 4.350 -0.000 0.000 0.267 178 E C 0.178 176.891 176.600 0.189 0.000 0.893 178 E CA -0.645 55.907 56.400 0.254 0.000 0.761 178 E CB 1.460 31.267 29.700 0.177 0.000 1.133 178 E HN 0.522 nan 8.360 nan 0.000 0.409 179 Q N 1.948 121.732 119.800 -0.027 0.000 2.311 179 Q HA 0.129 4.469 4.340 -0.000 0.000 0.272 179 Q C -0.486 175.362 176.000 -0.253 0.000 1.012 179 Q CA -0.091 55.349 55.803 -0.605 0.000 0.891 179 Q CB 0.339 28.773 28.738 -0.507 0.000 1.201 179 Q HN 0.661 nan 8.270 nan 0.000 0.391 180 c N 2.014 120.465 118.600 -0.249 0.000 2.505 180 c HA 0.963 5.533 4.570 -0.000 0.000 0.358 180 c C 0.053 174.147 174.090 0.007 0.000 1.226 180 c CA -0.672 55.651 56.329 -0.011 0.000 1.900 180 c CB 0.962 43.557 42.510 0.142 0.000 2.306 180 c HN 0.929 nan 8.230 nan 0.000 0.512 181 S N -0.986 114.784 115.700 0.117 0.000 2.732 181 S HA 0.655 5.125 4.470 -0.000 0.000 0.293 181 S C -2.635 172.118 174.600 0.255 0.000 1.159 181 S CA -0.954 57.318 58.200 0.120 0.000 0.847 181 S CB 1.060 64.294 63.200 0.057 0.000 1.169 181 S HN 0.404 nan 8.310 nan 0.000 0.501 182 P HA -0.150 nan 4.420 nan 0.000 0.217 182 P C 1.268 178.720 177.300 0.253 0.000 1.148 182 P CA 1.754 64.936 63.100 0.137 0.000 0.828 182 P CB -0.162 31.535 31.700 -0.006 0.000 0.783 183 E N -0.684 119.618 120.200 0.171 0.000 2.338 183 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 183 E C 0.923 177.600 176.600 0.128 0.000 1.007 183 E CA 0.870 57.349 56.400 0.132 0.000 0.849 183 E CB -0.792 28.952 29.700 0.074 0.000 0.774 183 E HN 0.232 nan 8.360 nan 0.000 0.506 184 D N 0.020 120.520 120.400 0.166 0.000 2.363 184 D HA 0.037 4.676 4.640 -0.000 0.000 0.226 184 D C -0.562 175.645 176.300 -0.155 0.000 1.020 184 D CA 0.451 54.439 54.000 -0.020 0.000 0.892 184 D CB 0.028 40.818 40.800 -0.017 0.000 0.900 184 D HN 0.169 nan 8.370 nan 0.000 0.531 185 F N 1.029 121.043 119.950 0.106 0.000 2.427 185 F HA 0.260 4.787 4.527 -0.000 0.000 0.346 185 F C 0.785 176.662 175.800 0.128 0.000 1.120 185 F CA -0.996 57.098 58.000 0.157 0.000 1.033 185 F CB 1.717 40.838 39.000 0.201 0.000 1.126 185 F HN -0.474 nan 8.300 nan 0.000 0.462 186 K N 3.185 123.710 120.400 0.209 0.000 2.201 186 K HA 0.502 4.822 4.320 -0.000 0.000 0.278 186 K C -0.864 175.783 176.600 0.077 0.000 1.027 186 K CA -0.509 55.847 56.287 0.116 0.000 0.909 186 K CB 1.205 33.727 32.500 0.037 0.000 1.062 186 K HN 0.484 nan 8.250 nan 0.000 0.465 187 V N 4.525 124.432 119.914 -0.012 0.000 2.572 187 V HA 0.139 4.258 4.120 -0.000 0.000 0.291 187 V C -0.176 175.715 176.094 -0.339 0.000 1.039 187 V CA -0.246 61.874 62.300 -0.300 0.000 1.055 187 V CB 1.149 32.792 31.823 -0.301 0.000 0.969 187 V HN 0.562 nan 8.190 nan 0.000 0.482 188 V N 6.615 126.209 119.914 -0.534 0.000 2.733 188 V HA 0.562 4.682 4.120 -0.000 0.000 0.306 188 V C -1.122 174.639 176.094 -0.555 0.000 1.084 188 V CA -0.577 61.505 62.300 -0.363 0.000 0.905 188 V CB 1.852 33.579 31.823 -0.160 0.000 1.010 188 V HN 0.635 nan 8.190 nan 0.000 0.424 189 F N 5.004 124.864 119.950 -0.150 0.000 2.404 189 F HA 0.732 5.259 4.527 -0.000 0.000 0.345 189 F C 1.002 176.728 175.800 -0.123 0.000 1.110 189 F CA 0.405 58.296 58.000 -0.182 0.000 1.130 189 F CB 1.944 40.847 39.000 -0.162 0.000 1.129 189 F HN 0.722 nan 8.300 nan 0.000 0.500 190 T N -0.595 113.909 114.554 -0.083 0.000 2.693 190 T HA 0.361 4.711 4.350 -0.000 0.000 0.278 190 T C 0.931 175.338 174.700 -0.488 0.000 0.994 190 T CA -0.942 61.039 62.100 -0.199 0.000 1.033 190 T CB 1.491 70.268 68.868 -0.152 0.000 1.342 190 T HN 0.580 nan 8.240 nan 0.000 0.538 191 R N -1.099 118.939 120.500 -0.770 0.000 2.237 191 R HA 0.006 4.346 4.340 -0.000 0.000 0.219 191 R C 1.048 177.071 176.300 -0.461 0.000 1.080 191 R CA 1.024 56.663 56.100 -0.767 0.000 0.995 191 R CB -0.390 29.501 30.300 -0.682 0.000 0.875 191 R HN 0.682 nan 8.270 nan 0.000 0.462 192 Y N -0.598 119.524 120.300 -0.298 0.000 2.546 192 Y HA 0.161 4.710 4.550 -0.000 0.000 0.287 192 Y C 1.529 177.255 175.900 -0.291 0.000 1.158 192 Y CA 0.743 58.702 58.100 -0.236 0.000 1.307 192 Y CB 0.433 38.764 38.460 -0.214 0.000 1.036 192 Y HN 0.335 nan 8.280 nan 0.000 0.532 193 G N 0.032 108.642 108.800 -0.317 0.000 2.516 193 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 193 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 193 G C -0.429 174.296 174.900 -0.291 0.000 1.165 193 G CA -0.517 44.269 45.100 -0.523 0.000 1.013 193 G HN 0.085 nan 8.290 nan 0.000 0.590 194 K N 0.955 121.213 120.400 -0.238 0.000 2.278 194 K HA 0.503 4.823 4.320 -0.000 0.000 0.289 194 K C 0.044 176.220 176.600 -0.707 0.000 1.080 194 K CA -0.159 55.782 56.287 -0.576 0.000 0.934 194 K CB -0.663 31.625 32.500 -0.353 0.000 1.093 194 K HN 0.623 nan 8.250 nan 0.000 0.459 195 c N 3.154 121.243 118.600 -0.852 0.000 2.656 195 c HA 0.597 5.167 4.570 -0.000 0.000 0.404 195 c C -0.896 172.506 174.090 -1.147 0.000 1.423 195 c CA -0.916 54.925 56.329 -0.813 0.000 1.784 195 c CB 0.405 42.640 42.510 -0.459 0.000 2.093 195 c HN 0.708 nan 8.230 nan 0.000 0.492 196 Y N -0.881 119.110 120.300 -0.513 0.000 2.492 196 Y HA 0.515 5.065 4.550 -0.000 0.000 0.346 196 Y C 0.097 176.000 175.900 0.004 0.000 0.997 196 Y CA -0.469 57.474 58.100 -0.261 0.000 1.025 196 Y CB 1.775 40.048 38.460 -0.312 0.000 1.263 196 Y HN 0.490 nan 8.280 nan 0.000 0.454 197 T N 3.654 118.380 114.554 0.287 0.000 2.809 197 T HA 0.342 4.692 4.350 -0.000 0.000 0.284 197 T C -1.246 173.563 174.700 0.182 0.000 0.992 197 T CA -0.554 61.699 62.100 0.256 0.000 0.957 197 T CB 0.487 69.439 68.868 0.139 0.000 0.942 197 T HN 0.403 nan 8.240 nan 0.000 0.439 198 F N 4.009 123.949 119.950 -0.016 0.000 2.396 198 F HA 0.430 4.957 4.527 -0.000 0.000 0.343 198 F C 1.052 176.725 175.800 -0.212 0.000 1.104 198 F CA -0.627 57.142 58.000 -0.386 0.000 1.161 198 F CB 0.512 39.283 39.000 -0.382 0.000 1.146 198 F HN 0.702 nan 8.300 nan 0.000 0.522 199 N N 3.282 121.293 118.700 -1.149 0.000 2.725 199 N HA -0.245 4.494 4.740 -0.000 0.000 0.251 199 N C 0.404 175.708 175.510 -0.345 0.000 1.031 199 N CA 0.751 53.324 53.050 -0.794 0.000 0.720 199 N CB -0.997 37.029 38.487 -0.768 0.000 0.930 199 N HN 0.816 nan 8.380 nan 0.000 0.543 200 A N 0.414 123.086 122.820 -0.247 0.000 2.066 200 A HA 0.401 4.721 4.320 -0.000 0.000 0.218 200 A C 1.630 179.164 177.584 -0.084 0.000 1.157 200 A CA 1.302 53.275 52.037 -0.108 0.000 0.670 200 A CB -0.431 18.544 19.000 -0.041 0.000 0.804 200 A HN 1.751 nan 8.150 nan 0.000 0.453 201 G N -0.588 108.138 108.800 -0.123 0.000 2.600 201 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.251 201 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.251 201 G C -0.492 174.376 174.900 -0.052 0.000 1.142 201 G CA -0.061 44.989 45.100 -0.083 0.000 0.994 201 G HN 0.511 nan 8.290 nan 0.000 0.511 202 Q N 0.240 120.000 119.800 -0.066 0.000 2.327 202 Q HA 0.482 4.822 4.340 -0.000 0.000 0.254 202 Q C 1.339 177.320 176.000 -0.032 0.000 0.952 202 Q CA 0.133 55.913 55.803 -0.038 0.000 0.884 202 Q CB 0.743 29.457 28.738 -0.040 0.000 1.224 202 Q HN 0.428 nan 8.270 nan 0.000 0.422 203 D N 1.796 122.187 120.400 -0.015 0.000 2.303 203 D HA -0.245 4.395 4.640 -0.000 0.000 0.190 203 D C 1.101 177.391 176.300 -0.016 0.000 1.011 203 D CA 2.034 56.028 54.000 -0.010 0.000 0.860 203 D CB -0.181 40.618 40.800 -0.001 0.000 0.961 203 D HN 0.782 nan 8.370 nan 0.000 0.453 204 G N -0.423 108.367 108.800 -0.017 0.000 3.379 204 G HA2 0.017 3.977 3.960 -0.000 0.000 0.253 204 G HA3 0.017 3.977 3.960 -0.000 0.000 0.253 204 G C 0.105 174.986 174.900 -0.031 0.000 1.262 204 G CA -0.231 44.858 45.100 -0.019 0.000 0.959 204 G HN -0.039 nan 8.290 nan 0.000 0.524 205 K N 1.549 121.922 120.400 -0.046 0.000 2.156 205 K HA 0.403 4.723 4.320 -0.000 0.000 0.254 205 K C -2.252 174.306 176.600 -0.070 0.000 0.950 205 K CA -1.913 54.332 56.287 -0.071 0.000 0.849 205 K CB 1.959 34.394 32.500 -0.108 0.000 1.100 205 K HN 0.025 nan 8.250 nan 0.000 0.434 206 P HA 0.184 nan 4.420 nan 0.000 0.272 206 P C -0.571 176.683 177.300 -0.078 0.000 1.223 206 P CA -0.438 62.627 63.100 -0.059 0.000 0.784 206 P CB 0.794 32.468 31.700 -0.044 0.000 0.923 207 R N 2.631 123.103 120.500 -0.046 0.000 2.242 207 R HA 0.288 4.628 4.340 -0.000 0.000 0.334 207 R C -0.142 176.145 176.300 -0.022 0.000 1.071 207 R CA -0.409 55.666 56.100 -0.041 0.000 0.922 207 R CB -0.351 29.939 30.300 -0.017 0.000 1.023 207 R HN 0.467 nan 8.270 nan 0.000 0.458 208 L N 7.396 128.586 121.223 -0.054 0.000 2.360 208 L HA 0.324 4.663 4.340 -0.000 0.000 0.276 208 L C 0.378 177.340 176.870 0.154 0.000 1.121 208 L CA -0.365 54.473 54.840 -0.003 0.000 0.845 208 L CB 0.622 42.487 42.059 -0.323 0.000 1.143 208 L HN 0.632 nan 8.230 nan 0.000 0.452 209 I N -0.314 120.390 120.570 0.223 0.000 2.785 209 I HA 0.677 4.847 4.170 -0.000 0.000 0.302 209 I C -0.414 175.847 176.117 0.239 0.000 1.069 209 I CA -0.480 60.938 61.300 0.197 0.000 1.045 209 I CB 2.410 40.464 38.000 0.090 0.000 1.236 209 I HN 0.414 nan 8.210 nan 0.000 0.429 210 T N 3.897 118.563 114.554 0.186 0.000 2.885 210 T HA 0.527 4.876 4.350 -0.000 0.000 0.285 210 T C 0.245 174.981 174.700 0.061 0.000 1.019 210 T CA -0.652 61.538 62.100 0.150 0.000 1.010 210 T CB 1.639 70.665 68.868 0.262 0.000 1.022 210 T HN 0.731 nan 8.240 nan 0.000 0.466 211 M N 1.934 121.566 119.600 0.053 0.000 2.971 211 M HA 0.355 4.835 4.480 -0.000 0.000 0.238 211 M C 0.474 176.804 176.300 0.049 0.000 1.582 211 M CA 0.753 56.074 55.300 0.034 0.000 1.223 211 M CB -0.235 32.378 32.600 0.022 0.000 1.238 211 M HN 0.517 nan 8.290 nan 0.000 0.568 212 K N 0.320 120.755 120.400 0.059 0.000 2.139 212 K HA 0.557 4.877 4.320 -0.000 0.000 0.243 212 K C 0.245 176.918 176.600 0.122 0.000 0.983 212 K CA -0.596 55.732 56.287 0.069 0.000 0.890 212 K CB 0.987 33.509 32.500 0.037 0.000 1.090 212 K HN 0.122 nan 8.250 nan 0.000 0.445 213 G N -0.338 108.537 108.800 0.126 0.000 2.444 213 G HA2 0.515 4.475 3.960 -0.000 0.000 0.268 213 G HA3 0.515 4.475 3.960 -0.000 0.000 0.268 213 G C -0.091 174.901 174.900 0.153 0.000 1.203 213 G CA 0.158 45.371 45.100 0.189 0.000 0.835 213 G HN 0.746 nan 8.290 nan 0.000 0.543 214 G N 0.051 108.999 108.800 0.247 0.000 2.459 214 G HA2 0.263 4.223 3.960 -0.000 0.000 0.685 214 G HA3 0.263 4.223 3.960 -0.000 0.000 0.685 214 G C 0.846 175.586 174.900 -0.267 0.000 1.303 214 G CA 0.508 45.587 45.100 -0.035 0.000 0.907 214 G HN 1.605 nan 8.290 nan 0.000 0.632 215 T N -1.804 112.244 114.554 -0.843 0.000 2.778 215 T HA -0.015 4.334 4.350 -0.000 0.000 0.269 215 T C 2.618 177.183 174.700 -0.226 0.000 1.050 215 T CA 2.376 64.058 62.100 -0.696 0.000 1.137 215 T CB -0.572 67.954 68.868 -0.570 0.000 0.860 215 T HN 2.001 nan 8.240 nan 0.000 0.468 216 G N 1.198 109.887 108.800 -0.185 0.000 2.450 216 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.220 216 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.220 216 G C 1.515 176.332 174.900 -0.140 0.000 1.130 216 G CA 0.512 45.531 45.100 -0.135 0.000 0.760 216 G HN 0.621 nan 8.290 nan 0.000 0.557 217 N N 0.544 119.193 118.700 -0.085 0.000 2.314 217 N HA 0.145 4.885 4.740 -0.000 0.000 0.200 217 N C 0.927 176.344 175.510 -0.156 0.000 1.135 217 N CA 0.098 53.084 53.050 -0.106 0.000 0.835 217 N CB 0.476 38.982 38.487 0.032 0.000 0.989 217 N HN 0.335 nan 8.380 nan 0.000 0.478 218 G N 0.235 108.968 108.800 -0.111 0.000 3.217 218 G HA2 0.490 4.449 3.960 -0.000 0.000 0.213 218 G HA3 0.490 4.449 3.960 -0.000 0.000 0.213 218 G C -1.272 173.515 174.900 -0.188 0.000 1.294 218 G CA -0.426 44.659 45.100 -0.026 0.000 0.987 218 G HN 0.078 nan 8.290 nan 0.000 0.584 219 L N -0.223 121.069 121.223 0.115 0.000 2.309 219 L HA 0.743 5.083 4.340 -0.000 0.000 0.282 219 L C -0.311 176.612 176.870 0.090 0.000 1.036 219 L CA -0.552 54.343 54.840 0.093 0.000 0.806 219 L CB 1.761 43.846 42.059 0.043 0.000 1.220 219 L HN 0.597 nan 8.230 nan 0.000 0.429 220 E N 5.595 125.827 120.200 0.053 0.000 2.260 220 E HA 0.520 4.870 4.350 -0.000 0.000 0.266 220 E C -1.535 175.091 176.600 0.043 0.000 0.887 220 E CA -0.617 55.817 56.400 0.056 0.000 0.777 220 E CB 1.348 31.088 29.700 0.067 0.000 1.205 220 E HN 0.683 nan 8.360 nan 0.000 0.414 221 I N 1.280 121.840 120.570 -0.016 0.000 2.608 221 I HA 0.571 4.740 4.170 -0.000 0.000 0.295 221 I C -0.989 175.076 176.117 -0.087 0.000 1.049 221 I CA -1.137 60.134 61.300 -0.048 0.000 1.063 221 I CB 2.105 40.040 38.000 -0.108 0.000 1.248 221 I HN 0.523 nan 8.210 nan 0.000 0.424 222 M N 6.672 126.223 119.600 -0.082 0.000 2.227 222 M HA 0.629 5.109 4.480 -0.000 0.000 0.335 222 M C -2.003 174.188 176.300 -0.182 0.000 1.053 222 M CA -0.533 54.699 55.300 -0.113 0.000 0.973 222 M CB 1.591 34.154 32.600 -0.062 0.000 1.623 222 M HN 0.709 nan 8.290 nan 0.000 0.434 223 L N 2.770 123.867 121.223 -0.210 0.000 2.323 223 L HA 0.589 4.929 4.340 -0.000 0.000 0.265 223 L C -0.971 175.789 176.870 -0.183 0.000 1.012 223 L CA -0.947 53.758 54.840 -0.226 0.000 0.820 223 L CB 2.086 43.972 42.059 -0.289 0.000 1.334 223 L HN 0.593 nan 8.230 nan 0.000 0.427 224 D N 1.217 121.530 120.400 -0.145 0.000 2.440 224 D HA 0.280 4.919 4.640 -0.000 0.000 0.239 224 D C 0.583 176.853 176.300 -0.049 0.000 1.084 224 D CA -0.520 53.431 54.000 -0.081 0.000 0.843 224 D CB 1.417 42.198 40.800 -0.031 0.000 1.097 224 D HN 0.512 nan 8.370 nan 0.000 0.531 225 I N 0.213 120.735 120.570 -0.081 0.000 3.291 225 I HA 0.040 4.210 4.170 -0.000 0.000 0.279 225 I C 0.196 176.318 176.117 0.009 0.000 1.294 225 I CA 0.023 61.283 61.300 -0.067 0.000 1.428 225 I CB -0.514 37.445 38.000 -0.069 0.000 1.070 225 I HN 0.372 nan 8.210 nan 0.000 0.478 226 Q N 1.644 121.469 119.800 0.041 0.000 2.459 226 Q HA -0.226 4.114 4.340 -0.000 0.000 0.322 226 Q C 0.635 176.721 176.000 0.143 0.000 1.427 226 Q CA 0.552 56.465 55.803 0.183 0.000 0.861 226 Q CB -1.453 27.504 28.738 0.366 0.000 1.137 226 Q HN 0.707 nan 8.270 nan 0.000 0.394 227 Q N 0.631 120.297 119.800 -0.223 0.000 2.291 227 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 227 Q C 1.551 177.499 176.000 -0.088 0.000 0.976 227 Q CA 1.505 57.023 55.803 -0.475 0.000 0.875 227 Q CB 0.039 28.414 28.738 -0.604 0.000 0.927 227 Q HN 0.688 nan 8.270 nan 0.000 0.450 228 D N 0.268 120.699 120.400 0.052 0.000 2.310 228 D HA -0.172 4.467 4.640 -0.000 0.000 0.212 228 D C 1.011 177.443 176.300 0.219 0.000 0.965 228 D CA 0.844 54.932 54.000 0.147 0.000 0.879 228 D CB -0.004 40.937 40.800 0.235 0.000 0.921 228 D HN 0.202 nan 8.370 nan 0.000 0.510 229 E N -0.644 119.735 120.200 0.299 0.000 2.498 229 E HA 0.012 4.362 4.350 -0.000 0.000 0.203 229 E C -0.235 176.605 176.600 0.399 0.000 1.013 229 E CA -0.418 56.179 56.400 0.329 0.000 0.927 229 E CB 0.124 29.980 29.700 0.260 0.000 1.012 229 E HN 0.285 nan 8.360 nan 0.000 0.482 230 Y N 0.922 121.315 120.300 0.155 0.000 2.610 230 Y HA -0.024 4.526 4.550 -0.000 0.000 0.332 230 Y C 0.706 176.638 175.900 0.053 0.000 1.201 230 Y CA -0.680 57.495 58.100 0.125 0.000 1.465 230 Y CB 0.133 38.633 38.460 0.067 0.000 1.283 230 Y HN -0.002 nan 8.280 nan 0.000 0.563 231 L N 7.471 128.774 121.223 0.133 0.000 2.455 231 L HA 0.248 4.587 4.340 -0.000 0.000 0.272 231 L C -2.181 174.629 176.870 -0.101 0.000 1.174 231 L CA -1.342 53.525 54.840 0.045 0.000 0.869 231 L CB 0.036 42.150 42.059 0.092 0.000 1.130 231 L HN 0.450 nan 8.230 nan 0.000 0.474 232 P HA 0.031 nan 4.420 nan 0.000 0.266 232 P C -1.219 175.846 177.300 -0.393 0.000 1.195 232 P CA -0.055 62.789 63.100 -0.428 0.000 0.768 232 P CB 0.511 31.739 31.700 -0.786 0.000 0.838 233 V N 4.594 124.431 119.914 -0.128 0.000 2.311 233 V HA 0.169 4.288 4.120 -0.000 0.000 0.275 233 V C -0.133 176.119 176.094 0.263 0.000 1.022 233 V CA -0.083 62.250 62.300 0.055 0.000 0.830 233 V CB 0.658 32.611 31.823 0.218 0.000 1.012 233 V HN 0.723 nan 8.190 nan 0.000 0.452 234 W N 3.389 124.749 121.300 0.099 0.000 2.870 234 W HA 0.630 5.290 4.660 -0.000 0.000 0.358 234 W C 0.758 177.331 176.519 0.090 0.000 1.043 234 W CA -0.254 57.137 57.345 0.077 0.000 1.692 234 W CB 0.676 30.168 29.460 0.053 0.000 1.100 234 W HN 0.663 nan 8.180 nan 0.000 0.557 235 G N 0.200 109.185 108.800 0.308 0.000 2.600 235 G HA2 0.394 4.354 3.960 -0.000 0.000 0.293 235 G HA3 0.394 4.354 3.960 -0.000 0.000 0.293 235 G C -1.640 173.385 174.900 0.208 0.000 1.408 235 G CA -0.750 44.489 45.100 0.232 0.000 0.782 235 G HN -0.163 nan 8.290 nan 0.000 0.482 236 E N 0.316 120.616 120.200 0.166 0.000 2.073 236 E HA 0.554 4.903 4.350 -0.000 0.000 0.269 236 E C 0.072 176.703 176.600 0.052 0.000 0.917 236 E CA -0.469 55.990 56.400 0.099 0.000 0.757 236 E CB 0.822 30.603 29.700 0.134 0.000 1.111 236 E HN 0.690 nan 8.360 nan 0.000 0.410 237 T N 0.201 114.769 114.554 0.023 0.000 2.907 237 T HA 0.272 4.622 4.350 -0.000 0.000 0.290 237 T C 0.465 175.174 174.700 0.016 0.000 1.066 237 T CA -0.824 61.300 62.100 0.040 0.000 1.012 237 T CB 1.333 70.242 68.868 0.068 0.000 1.184 237 T HN 0.120 nan 8.240 nan 0.000 0.522 238 D N 0.167 120.596 120.400 0.048 0.000 2.312 238 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 238 D C 1.261 177.590 176.300 0.048 0.000 0.964 238 D CA 0.829 54.849 54.000 0.033 0.000 0.877 238 D CB 0.166 41.004 40.800 0.063 0.000 0.924 238 D HN 0.623 nan 8.370 nan 0.000 0.515 239 E N -0.349 119.912 120.200 0.102 0.000 2.474 239 E HA 0.027 4.377 4.350 -0.000 0.000 0.194 239 E C 0.566 177.232 176.600 0.110 0.000 1.041 239 E CA 0.204 56.696 56.400 0.153 0.000 0.874 239 E CB 0.393 30.264 29.700 0.286 0.000 0.914 239 E HN 0.241 nan 8.360 nan 0.000 0.498 240 T N -1.804 112.778 114.554 0.047 0.000 2.940 240 T HA 0.702 5.052 4.350 -0.000 0.000 0.288 240 T C 0.049 174.706 174.700 -0.072 0.000 1.033 240 T CA -0.901 61.207 62.100 0.013 0.000 1.033 240 T CB 1.870 70.755 68.868 0.029 0.000 1.079 240 T HN -0.021 nan 8.240 nan 0.000 0.496 241 S N 0.119 115.791 115.700 -0.047 0.000 2.569 241 S HA 0.623 5.093 4.470 -0.000 0.000 0.280 241 S C -0.502 174.144 174.600 0.076 0.000 1.111 241 S CA -0.902 57.248 58.200 -0.083 0.000 0.887 241 S CB 1.085 64.296 63.200 0.018 0.000 1.095 241 S HN 0.458 nan 8.310 nan 0.000 0.476 242 F N 0.638 120.644 119.950 0.093 0.000 2.789 242 F HA 0.405 4.932 4.527 -0.000 0.000 0.300 242 F C 0.847 176.706 175.800 0.098 0.000 1.132 242 F CA -0.406 57.649 58.000 0.091 0.000 1.404 242 F CB -0.610 38.434 39.000 0.073 0.000 1.114 242 F HN 0.527 nan 8.300 nan 0.000 0.584 243 E N -0.060 120.299 120.200 0.265 0.000 2.227 243 E HA 0.657 5.007 4.350 -0.000 0.000 0.268 243 E C -0.415 176.324 176.600 0.232 0.000 0.990 243 E CA -0.588 55.931 56.400 0.198 0.000 0.856 243 E CB 1.387 31.171 29.700 0.140 0.000 1.159 243 E HN 0.027 nan 8.360 nan 0.000 0.401 244 A N 1.021 123.938 122.820 0.161 0.000 2.343 244 A HA 0.887 5.207 4.320 -0.000 0.000 0.316 244 A C 0.110 177.741 177.584 0.078 0.000 1.104 244 A CA 0.192 52.317 52.037 0.147 0.000 0.768 244 A CB 1.023 19.972 19.000 -0.085 0.000 1.213 244 A HN 0.672 nan 8.150 nan 0.000 0.456 245 G N 0.325 109.181 108.800 0.094 0.000 2.332 245 G HA2 0.453 4.413 3.960 -0.000 0.000 0.265 245 G HA3 0.453 4.413 3.960 -0.000 0.000 0.265 245 G C -0.901 173.986 174.900 -0.021 0.000 1.329 245 G CA -0.104 45.006 45.100 0.017 0.000 0.949 245 G HN 1.881 nan 8.290 nan 0.000 0.476 246 I N -2.760 117.770 120.570 -0.067 0.000 3.042 246 I HA 0.955 5.125 4.170 -0.000 0.000 0.310 246 I C -0.934 175.076 176.117 -0.179 0.000 1.117 246 I CA -1.368 59.865 61.300 -0.112 0.000 1.003 246 I CB 2.429 40.403 38.000 -0.044 0.000 1.228 246 I HN 0.538 nan 8.210 nan 0.000 0.443 247 K N 2.318 122.556 120.400 -0.270 0.000 2.207 247 K HA 0.785 5.105 4.320 -0.000 0.000 0.255 247 K C -1.533 174.896 176.600 -0.284 0.000 0.941 247 K CA -0.556 55.548 56.287 -0.305 0.000 0.825 247 K CB 2.029 34.276 32.500 -0.421 0.000 1.119 247 K HN 0.593 nan 8.250 nan 0.000 0.430 248 V N 3.149 122.770 119.914 -0.489 0.000 2.876 248 V HA 0.517 4.637 4.120 -0.000 0.000 0.312 248 V C -1.086 174.701 176.094 -0.513 0.000 1.085 248 V CA -0.871 61.100 62.300 -0.548 0.000 0.945 248 V CB 2.001 33.250 31.823 -0.958 0.000 1.017 248 V HN 0.738 nan 8.190 nan 0.000 0.428 249 Q N 2.588 122.309 119.800 -0.130 0.000 2.271 249 Q HA 0.601 4.941 4.340 -0.000 0.000 0.268 249 Q C -1.805 174.352 176.000 0.261 0.000 1.021 249 Q CA -0.511 55.348 55.803 0.093 0.000 0.802 249 Q CB 2.314 31.103 28.738 0.084 0.000 1.282 249 Q HN 0.748 nan 8.270 nan 0.000 0.431 250 I N 5.700 126.427 120.570 0.261 0.000 2.321 250 I HA 0.395 4.565 4.170 -0.000 0.000 0.291 250 I C -0.284 175.883 176.117 0.084 0.000 0.998 250 I CA -0.487 60.840 61.300 0.045 0.000 1.227 250 I CB 0.647 38.585 38.000 -0.104 0.000 1.368 250 I HN 0.598 nan 8.210 nan 0.000 0.466 251 H N 2.823 121.839 119.070 -0.091 0.000 3.017 251 H HA 0.384 4.940 4.556 -0.000 0.000 0.346 251 H C -0.948 174.442 175.328 0.104 0.000 1.286 251 H CA -1.096 55.004 56.048 0.087 0.000 1.120 251 H CB 0.985 30.797 29.762 0.083 0.000 1.860 251 H HN 0.484 nan 8.280 nan 0.000 0.542 252 S N 0.517 116.397 115.700 0.300 0.000 2.585 252 S HA -0.022 4.447 4.470 -0.000 0.000 0.273 252 S C 0.823 175.490 174.600 0.112 0.000 1.339 252 S CA -0.269 58.043 58.200 0.188 0.000 1.028 252 S CB 1.382 64.707 63.200 0.209 0.000 0.906 252 S HN 0.641 nan 8.310 nan 0.000 0.528 253 Q N 0.906 120.734 119.800 0.046 0.000 2.181 253 Q HA -0.072 4.267 4.340 -0.000 0.000 0.205 253 Q C 1.014 177.077 176.000 0.106 0.000 0.980 253 Q CA 1.827 57.658 55.803 0.047 0.000 0.862 253 Q CB -0.350 28.396 28.738 0.012 0.000 0.905 253 Q HN 0.752 nan 8.270 nan 0.000 0.429 254 D N 0.043 120.505 120.400 0.104 0.000 2.363 254 D HA -0.029 4.611 4.640 -0.000 0.000 0.226 254 D C -0.122 176.229 176.300 0.084 0.000 1.020 254 D CA 0.355 54.414 54.000 0.098 0.000 0.892 254 D CB 0.087 40.937 40.800 0.083 0.000 0.900 254 D HN 0.323 nan 8.370 nan 0.000 0.531 255 E N 0.917 121.186 120.200 0.116 0.000 2.171 255 E HA 0.316 4.666 4.350 -0.000 0.000 0.271 255 E C -2.638 173.965 176.600 0.005 0.000 0.916 255 E CA -2.502 53.918 56.400 0.034 0.000 0.774 255 E CB 2.118 31.859 29.700 0.069 0.000 1.128 255 E HN -0.173 nan 8.360 nan 0.000 0.403 256 P HA 0.230 nan 4.420 nan 0.000 0.277 256 P C -2.596 174.520 177.300 -0.308 0.000 1.240 256 P CA -1.377 61.617 63.100 -0.176 0.000 0.798 256 P CB 0.459 32.000 31.700 -0.266 0.000 0.979 257 P HA 0.226 nan 4.420 nan 0.000 0.276 257 P C -0.850 176.328 177.300 -0.203 0.000 1.244 257 P CA -0.159 62.683 63.100 -0.429 0.000 0.801 257 P CB 0.744 32.211 31.700 -0.388 0.000 1.006 258 L N 2.384 123.514 121.223 -0.155 0.000 2.669 258 L HA 0.329 4.669 4.340 -0.000 0.000 0.273 258 L C 1.190 178.021 176.870 -0.064 0.000 1.441 258 L CA -0.036 54.747 54.840 -0.096 0.000 0.745 258 L CB -0.610 41.398 42.059 -0.086 0.000 1.044 258 L HN 0.254 nan 8.230 nan 0.000 0.523 259 I N -0.420 120.122 120.570 -0.047 0.000 2.264 259 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 259 I C 1.706 177.896 176.117 0.123 0.000 1.111 259 I CA 1.898 63.218 61.300 0.034 0.000 1.382 259 I CB 0.379 38.413 38.000 0.056 0.000 1.060 259 I HN 0.660 nan 8.210 nan 0.000 0.418 260 D N -0.453 119.955 120.400 0.013 0.000 2.178 260 D HA -0.209 4.431 4.640 -0.000 0.000 0.202 260 D C 2.123 178.401 176.300 -0.037 0.000 0.974 260 D CA 1.200 55.136 54.000 -0.107 0.000 0.841 260 D CB 0.191 40.698 40.800 -0.488 0.000 0.953 260 D HN 0.314 nan 8.370 nan 0.000 0.478 261 Q N -0.661 119.114 119.800 -0.041 0.000 2.200 261 Q HA 0.158 4.498 4.340 -0.000 0.000 0.197 261 Q C 2.044 178.050 176.000 0.010 0.000 0.953 261 Q CA 0.639 56.427 55.803 -0.024 0.000 0.851 261 Q CB 0.209 28.922 28.738 -0.042 0.000 0.938 261 Q HN 0.384 nan 8.270 nan 0.000 0.488 262 L N -0.346 120.887 121.223 0.017 0.000 2.693 262 L HA 0.312 4.651 4.340 -0.000 0.000 0.235 262 L C 1.187 178.108 176.870 0.086 0.000 1.127 262 L CA -0.199 54.667 54.840 0.043 0.000 0.914 262 L CB 0.176 42.252 42.059 0.027 0.000 1.193 262 L HN 0.005 nan 8.230 nan 0.000 0.502 263 G N 0.625 109.471 108.800 0.076 0.000 2.653 263 G HA2 0.314 4.274 3.960 -0.000 0.000 0.265 263 G HA3 0.314 4.274 3.960 -0.000 0.000 0.265 263 G C -0.636 174.348 174.900 0.140 0.000 1.237 263 G CA -0.278 44.862 45.100 0.067 0.000 0.946 263 G HN 0.105 nan 8.290 nan 0.000 0.522 264 F N -2.012 117.955 119.950 0.028 0.000 2.598 264 F HA 0.803 5.330 4.527 -0.000 0.000 0.327 264 F C 0.299 176.100 175.800 0.001 0.000 1.057 264 F CA -1.313 56.694 58.000 0.011 0.000 0.957 264 F CB 1.318 40.317 39.000 -0.001 0.000 1.278 264 F HN 0.666 nan 8.300 nan 0.000 0.484 265 G N 0.439 109.351 108.800 0.186 0.000 2.412 265 G HA2 0.586 4.546 3.960 -0.000 0.000 0.318 265 G HA3 0.586 4.546 3.960 -0.000 0.000 0.318 265 G C -1.812 173.153 174.900 0.109 0.000 1.146 265 G CA -0.942 44.190 45.100 0.053 0.000 0.882 265 G HN 0.692 nan 8.290 nan 0.000 0.501 266 V N 0.645 120.566 119.914 0.013 0.000 2.577 266 V HA 0.674 4.793 4.120 -0.000 0.000 0.303 266 V C 0.324 176.424 176.094 0.009 0.000 1.042 266 V CA -0.839 61.479 62.300 0.030 0.000 0.872 266 V CB 1.358 33.181 31.823 0.001 0.000 0.998 266 V HN 1.143 nan 8.190 nan 0.000 0.423 267 A N 7.265 130.104 122.820 0.032 0.000 2.304 267 A HA 0.918 5.238 4.320 -0.000 0.000 0.301 267 A C -2.450 175.226 177.584 0.155 0.000 1.132 267 A CA -1.659 50.430 52.037 0.087 0.000 0.819 267 A CB 0.760 19.815 19.000 0.092 0.000 1.094 267 A HN 0.602 nan 8.150 nan 0.000 0.492 268 P HA 0.327 nan 4.420 nan 0.000 0.274 268 P C 0.667 177.989 177.300 0.036 0.000 1.231 268 P CA 1.155 64.267 63.100 0.020 0.000 0.790 268 P CB 1.077 32.737 31.700 -0.066 0.000 0.951 269 G N -0.056 108.682 108.800 -0.103 0.000 2.143 269 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.249 269 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.249 269 G C -0.398 174.120 174.900 -0.636 0.000 0.981 269 G CA -0.270 44.633 45.100 -0.329 0.000 0.665 269 G HN 0.443 nan 8.290 nan 0.000 0.528 270 F N -0.851 119.065 119.950 -0.057 0.000 2.626 270 F HA 0.637 5.164 4.527 -0.000 0.000 0.311 270 F C 0.032 175.774 175.800 -0.097 0.000 1.088 270 F CA -0.915 57.052 58.000 -0.056 0.000 0.949 270 F CB 1.894 40.870 39.000 -0.040 0.000 1.322 270 F HN 0.055 nan 8.300 nan 0.000 0.461 271 Q N 1.460 121.305 119.800 0.075 0.000 2.325 271 Q HA 0.511 4.851 4.340 -0.000 0.000 0.262 271 Q C -1.443 174.421 176.000 -0.226 0.000 0.968 271 Q CA -0.384 55.332 55.803 -0.145 0.000 0.877 271 Q CB 1.554 30.143 28.738 -0.249 0.000 1.253 271 Q HN 0.740 nan 8.270 nan 0.000 0.448 272 T N 4.615 119.030 114.554 -0.232 0.000 2.794 272 T HA 0.449 4.799 4.350 -0.000 0.000 0.280 272 T C -0.959 173.599 174.700 -0.236 0.000 0.987 272 T CA -0.239 61.767 62.100 -0.158 0.000 0.993 272 T CB 0.223 69.082 68.868 -0.017 0.000 0.939 272 T HN 0.352 nan 8.240 nan 0.000 0.449 273 F N 2.136 122.154 119.950 0.113 0.000 2.415 273 F HA 0.515 5.042 4.527 -0.000 0.000 0.348 273 F C 0.091 175.928 175.800 0.062 0.000 1.119 273 F CA -1.006 57.115 58.000 0.201 0.000 1.069 273 F CB 1.286 40.439 39.000 0.255 0.000 1.124 273 F HN 0.164 nan 8.300 nan 0.000 0.472 274 V N 2.715 122.703 119.914 0.124 0.000 2.325 274 V HA 0.256 4.376 4.120 -0.000 0.000 0.280 274 V C -0.148 175.527 176.094 -0.698 0.000 1.016 274 V CA -0.657 61.508 62.300 -0.225 0.000 0.818 274 V CB 1.224 32.927 31.823 -0.200 0.000 1.019 274 V HN 0.762 nan 8.190 nan 0.000 0.434 275 S N 4.459 119.732 115.700 -0.712 0.000 2.430 275 S HA 0.450 4.920 4.470 -0.000 0.000 0.289 275 S C -0.059 174.186 174.600 -0.592 0.000 1.143 275 S CA -0.317 57.307 58.200 -0.960 0.000 1.067 275 S CB -0.042 62.909 63.200 -0.415 0.000 0.964 275 S HN 0.808 nan 8.310 nan 0.000 0.485 276 C N 3.691 122.569 119.300 -0.702 0.000 2.505 276 C HA 0.718 5.178 4.460 -0.000 0.000 0.358 276 C C -0.130 174.728 174.990 -0.220 0.000 1.226 276 C CA -0.786 57.896 59.018 -0.561 0.000 1.900 276 C CB 1.353 28.501 27.740 -0.986 0.000 2.306 276 C HN 0.863 nan 8.230 nan 0.000 0.512 277 Q N 0.909 120.732 119.800 0.038 0.000 2.263 277 Q HA 0.290 4.630 4.340 -0.000 0.000 0.266 277 Q C -1.181 175.010 176.000 0.318 0.000 1.002 277 Q CA -0.107 55.855 55.803 0.266 0.000 0.790 277 Q CB 1.585 30.392 28.738 0.114 0.000 1.272 277 Q HN 0.850 nan 8.270 nan 0.000 0.435 278 E N 2.883 123.350 120.200 0.445 0.000 2.316 278 E HA 0.112 4.462 4.350 -0.000 0.000 0.275 278 E C -1.086 175.523 176.600 0.015 0.000 1.029 278 E CA 0.066 56.578 56.400 0.187 0.000 0.871 278 E CB 0.809 30.670 29.700 0.269 0.000 1.022 278 E HN 0.494 nan 8.360 nan 0.000 0.418 279 Q N 3.687 123.386 119.800 -0.168 0.000 2.347 279 Q HA 0.277 4.617 4.340 -0.000 0.000 0.265 279 Q C -0.905 174.984 176.000 -0.186 0.000 1.024 279 Q CA -0.830 54.864 55.803 -0.181 0.000 0.731 279 Q CB 1.740 30.394 28.738 -0.140 0.000 1.245 279 Q HN 0.200 nan 8.270 nan 0.000 0.472 280 R N 2.906 123.290 120.500 -0.194 0.000 2.202 280 R HA 0.376 4.716 4.340 -0.000 0.000 0.334 280 R C -1.621 174.578 176.300 -0.169 0.000 1.036 280 R CA -0.234 55.799 56.100 -0.112 0.000 0.878 280 R CB 0.131 30.447 30.300 0.026 0.000 1.067 280 R HN 0.450 nan 8.270 nan 0.000 0.457 281 L N 5.830 126.961 121.223 -0.153 0.000 2.313 281 L HA 0.511 4.851 4.340 -0.000 0.000 0.283 281 L C -0.459 176.195 176.870 -0.361 0.000 1.013 281 L CA -0.442 54.223 54.840 -0.293 0.000 0.816 281 L CB 1.621 43.524 42.059 -0.260 0.000 1.236 281 L HN 0.462 nan 8.230 nan 0.000 0.419 282 I N 3.278 123.559 120.570 -0.482 0.000 2.433 282 I HA 0.402 4.571 4.170 -0.000 0.000 0.292 282 I C -0.573 175.230 176.117 -0.524 0.000 1.001 282 I CA -0.671 60.425 61.300 -0.340 0.000 1.119 282 I CB 1.412 39.304 38.000 -0.180 0.000 1.289 282 I HN 0.446 nan 8.210 nan 0.000 0.438 283 Y N 4.962 125.239 120.300 -0.040 0.000 2.549 283 Y HA 0.594 5.144 4.550 -0.000 0.000 0.339 283 Y C 0.080 175.949 175.900 -0.051 0.000 1.053 283 Y CA -0.893 57.173 58.100 -0.057 0.000 1.105 283 Y CB 1.660 40.097 38.460 -0.039 0.000 1.258 283 Y HN 0.284 nan 8.280 nan 0.000 0.478 284 L N 4.684 125.970 121.223 0.106 0.000 2.325 284 L HA 0.504 4.844 4.340 -0.000 0.000 0.279 284 L C -2.268 174.686 176.870 0.139 0.000 1.054 284 L CA -1.925 52.960 54.840 0.075 0.000 0.804 284 L CB 1.424 43.512 42.059 0.050 0.000 1.200 284 L HN 0.339 nan 8.230 nan 0.000 0.436 285 P HA 0.336 nan 4.420 nan 0.000 0.279 285 P C -2.750 174.654 177.300 0.174 0.000 1.276 285 P CA -2.139 61.042 63.100 0.136 0.000 0.801 285 P CB 0.177 31.946 31.700 0.115 0.000 1.127 286 P HA 0.055 nan 4.420 nan 0.000 0.268 286 P C -1.485 175.678 177.300 -0.229 0.000 1.208 286 P CA -0.619 62.432 63.100 -0.081 0.000 0.777 286 P CB -0.621 31.016 31.700 -0.106 0.000 0.875 287 P HA -0.053 nan 4.420 nan 0.000 0.240 287 P C 0.992 178.045 177.300 -0.412 0.000 1.190 287 P CA 0.868 63.586 63.100 -0.637 0.000 0.781 287 P CB 0.079 31.102 31.700 -1.129 0.000 0.931 288 W N 1.283 122.493 121.300 -0.151 0.000 2.355 288 W HA 0.021 4.681 4.660 -0.000 0.000 0.309 288 W C 1.388 177.916 176.519 0.014 0.000 1.206 288 W CA 1.765 59.113 57.345 0.005 0.000 1.284 288 W CB -1.177 28.297 29.460 0.022 0.000 1.145 288 W HN -0.021 nan 8.180 nan 0.000 0.502 289 G N -0.389 108.536 108.800 0.208 0.000 3.243 289 G HA2 0.258 4.218 3.960 -0.000 0.000 0.248 289 G HA3 0.258 4.218 3.960 -0.000 0.000 0.248 289 G C -0.451 174.471 174.900 0.037 0.000 1.267 289 G CA -0.022 45.135 45.100 0.094 0.000 0.906 289 G HN 0.038 nan 8.290 nan 0.000 0.592 290 D N -1.339 119.065 120.400 0.007 0.000 2.582 290 D HA 0.088 4.728 4.640 -0.000 0.000 0.246 290 D C 1.174 177.452 176.300 -0.037 0.000 1.334 290 D CA -0.189 53.798 54.000 -0.022 0.000 0.805 290 D CB -0.671 40.111 40.800 -0.031 0.000 1.087 290 D HN 0.536 nan 8.370 nan 0.000 0.499 291 c N 1.504 120.093 118.600 -0.020 0.000 2.641 291 c HA 0.841 5.411 4.570 -0.000 0.000 0.318 291 c C -0.087 173.985 174.090 -0.031 0.000 1.490 291 c CA -0.502 55.812 56.329 -0.025 0.000 2.260 291 c CB 0.505 43.035 42.510 0.033 0.000 2.103 291 c HN 0.417 nan 8.230 nan 0.000 0.641 292 K N -0.313 120.056 120.400 -0.051 0.000 2.610 292 K HA 0.738 5.058 4.320 -0.000 0.000 0.278 292 K C -0.656 175.844 176.600 -0.168 0.000 0.964 292 K CA 0.100 56.309 56.287 -0.130 0.000 0.859 292 K CB 0.975 33.339 32.500 -0.226 0.000 1.434 292 K HN 1.057 nan 8.250 nan 0.000 0.410 293 A N 0.801 123.541 122.820 -0.133 0.000 1.857 293 A HA 0.648 4.968 4.320 -0.000 0.000 0.192 293 A C 0.729 178.259 177.584 -0.090 0.000 2.203 293 A CA 1.351 53.355 52.037 -0.056 0.000 1.377 293 A CB -1.035 17.985 19.000 0.033 0.000 0.976 293 A HN 1.738 nan 8.150 nan 0.000 0.594 294 T N -1.419 113.113 114.554 -0.037 0.000 13.928 294 T HA -0.213 4.137 4.350 -0.000 0.000 0.416 294 T C 1.770 176.481 174.700 0.018 0.000 1.443 294 T CA 3.426 65.512 62.100 -0.024 0.000 2.321 294 T CB -2.789 66.041 68.868 -0.063 0.000 2.747 294 T HN 2.930 nan 8.240 nan 0.000 0.336 295 T N -1.079 113.482 114.554 0.013 0.000 0.560 295 T HA 0.140 4.490 4.350 -0.000 0.000 0.774 295 T C 2.217 176.956 174.700 0.066 0.000 0.992 295 T CA 2.496 64.634 62.100 0.065 0.000 4.074 295 T CB -2.005 66.963 68.868 0.168 0.000 2.302 295 T HN 3.242 nan 8.240 nan 0.000 0.398 296 G N 0.227 109.083 108.800 0.093 0.000 2.179 296 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 296 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 296 G C 0.169 175.093 174.900 0.039 0.000 0.977 296 G CA 1.337 46.483 45.100 0.076 0.000 0.641 296 G HN 1.233 nan 8.290 nan 0.000 0.533 297 D N 0.328 120.739 120.400 0.019 0.000 2.230 297 D HA 0.351 4.991 4.640 -0.000 0.000 0.274 297 D C 2.227 178.502 176.300 -0.042 0.000 1.222 297 D CA 1.344 55.336 54.000 -0.013 0.000 0.943 297 D CB -0.242 40.543 40.800 -0.025 0.000 0.920 297 D HN 0.552 nan 8.370 nan 0.000 0.300 298 S N -0.171 115.475 115.700 -0.089 0.000 2.601 298 S HA 0.142 4.612 4.470 -0.000 0.000 0.244 298 S C 0.172 174.580 174.600 -0.321 0.000 1.001 298 S CA -0.455 57.639 58.200 -0.177 0.000 0.984 298 S CB 0.095 63.186 63.200 -0.181 0.000 0.842 298 S HN 0.055 nan 8.310 nan 0.000 0.474 299 E N 1.297 121.395 120.200 -0.171 0.000 2.322 299 E HA 0.192 4.541 4.350 -0.000 0.000 0.195 299 E C -0.195 176.404 176.600 -0.002 0.000 1.198 299 E CA -0.376 55.951 56.400 -0.121 0.000 1.132 299 E CB -1.087 28.669 29.700 0.094 0.000 1.213 299 E HN 0.484 nan 8.360 nan 0.000 0.450 300 F N -1.968 117.930 119.950 -0.087 0.000 2.658 300 F HA -0.351 4.176 4.527 -0.000 0.000 0.528 300 F C 0.150 175.532 175.800 -0.697 0.000 0.527 300 F CA 1.209 58.969 58.000 -0.399 0.000 0.927 300 F CB -1.823 36.873 39.000 -0.507 0.000 1.675 300 F HN 0.170 nan 8.300 nan 0.000 0.263 301 Y N -0.670 119.743 120.300 0.189 0.000 2.576 301 Y HA 0.463 5.013 4.550 -0.000 0.000 0.346 301 Y C 0.944 176.900 175.900 0.094 0.000 1.018 301 Y CA -1.374 56.804 58.100 0.129 0.000 1.050 301 Y CB 0.717 39.248 38.460 0.118 0.000 1.280 301 Y HN -0.241 nan 8.280 nan 0.000 0.474 302 D N 0.177 120.714 120.400 0.228 0.000 2.348 302 D HA 0.050 4.690 4.640 -0.000 0.000 0.211 302 D C -0.179 176.213 176.300 0.153 0.000 0.998 302 D CA 0.934 55.024 54.000 0.149 0.000 0.873 302 D CB 0.478 41.343 40.800 0.108 0.000 0.925 302 D HN 0.446 nan 8.370 nan 0.000 0.524 303 T N -0.177 114.488 114.554 0.185 0.000 2.893 303 T HA 0.230 4.580 4.350 -0.000 0.000 0.291 303 T C -0.950 173.853 174.700 0.173 0.000 1.028 303 T CA -0.587 61.608 62.100 0.157 0.000 0.995 303 T CB 2.175 71.111 68.868 0.113 0.000 1.051 303 T HN -0.110 nan 8.240 nan 0.000 0.470 304 Y N 2.576 122.912 120.300 0.060 0.000 2.310 304 Y HA 0.596 5.146 4.550 -0.000 0.000 0.326 304 Y C 0.214 176.123 175.900 0.017 0.000 1.151 304 Y CA -0.166 57.959 58.100 0.041 0.000 1.195 304 Y CB 0.713 39.196 38.460 0.038 0.000 1.210 304 Y HN 0.793 nan 8.280 nan 0.000 0.483 305 S N 4.082 119.247 115.700 -0.892 0.000 2.587 305 S HA 0.356 4.826 4.470 -0.000 0.000 0.269 305 S C 0.161 174.308 174.600 -0.755 0.000 1.154 305 S CA -0.812 57.017 58.200 -0.619 0.000 0.824 305 S CB 0.398 63.422 63.200 -0.293 0.000 1.118 305 S HN 0.695 nan 8.310 nan 0.000 0.462 306 I N 1.033 121.349 120.570 -0.423 0.000 2.208 306 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 306 I C 2.570 178.543 176.117 -0.239 0.000 1.097 306 I CA 1.803 62.933 61.300 -0.283 0.000 1.363 306 I CB -0.723 37.190 38.000 -0.144 0.000 1.051 306 I HN 0.794 nan 8.210 nan 0.000 0.413 307 T N 0.700 115.115 114.554 -0.232 0.000 2.777 307 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 307 T C 2.081 176.621 174.700 -0.267 0.000 1.040 307 T CA 1.389 63.364 62.100 -0.209 0.000 1.141 307 T CB -0.291 68.456 68.868 -0.202 0.000 0.868 307 T HN 0.477 nan 8.240 nan 0.000 0.444 308 A N 0.519 123.092 122.820 -0.412 0.000 1.908 308 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 308 A C 2.727 180.232 177.584 -0.131 0.000 1.181 308 A CA 1.777 53.493 52.037 -0.534 0.000 0.627 308 A CB -1.443 17.193 19.000 -0.605 0.000 0.818 308 A HN 0.657 nan 8.150 nan 0.000 0.445 309 c N -0.304 118.204 118.600 -0.154 0.000 2.429 309 c HA -0.067 4.503 4.570 -0.000 0.000 0.277 309 c C 2.863 176.981 174.090 0.046 0.000 1.262 309 c CA 1.322 57.663 56.329 0.020 0.000 1.733 309 c CB -1.302 41.213 42.510 0.010 0.000 2.010 309 c HN 0.637 nan 8.230 nan 0.000 0.483 310 R N 0.326 120.814 120.500 -0.021 0.000 2.075 310 R HA -0.016 4.324 4.340 -0.000 0.000 0.232 310 R C 2.134 178.451 176.300 0.029 0.000 1.126 310 R CA 1.813 57.911 56.100 -0.003 0.000 0.963 310 R CB -0.389 29.887 30.300 -0.040 0.000 0.858 310 R HN 0.569 nan 8.270 nan 0.000 0.435 311 I N 0.925 121.511 120.570 0.026 0.000 2.226 311 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 311 I C 1.438 177.621 176.117 0.110 0.000 1.100 311 I CA 1.317 62.653 61.300 0.060 0.000 1.374 311 I CB -0.336 37.711 38.000 0.079 0.000 1.057 311 I HN 0.089 nan 8.210 nan 0.000 0.413 312 D N 0.203 120.742 120.400 0.231 0.000 2.097 312 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 312 D C 2.215 178.665 176.300 0.251 0.000 0.989 312 D CA 1.165 55.388 54.000 0.372 0.000 0.827 312 D CB -0.416 40.657 40.800 0.455 0.000 0.966 312 D HN 0.356 nan 8.370 nan 0.000 0.456 313 c N 0.880 119.587 118.600 0.178 0.000 2.446 313 c HA -0.096 4.473 4.570 -0.000 0.000 0.277 313 c C 2.374 176.547 174.090 0.138 0.000 1.275 313 c CA 0.840 57.259 56.329 0.150 0.000 1.727 313 c CB -0.960 41.619 42.510 0.114 0.000 2.010 313 c HN 0.320 nan 8.230 nan 0.000 0.486 314 E N -0.148 120.107 120.200 0.093 0.000 2.077 314 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 314 E C 2.173 178.828 176.600 0.091 0.000 0.989 314 E CA 1.944 58.392 56.400 0.081 0.000 0.800 314 E CB -0.303 29.419 29.700 0.037 0.000 0.746 314 E HN 0.658 nan 8.360 nan 0.000 0.452 315 T N 0.968 115.548 114.554 0.044 0.000 2.708 315 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 315 T C 1.808 176.541 174.700 0.056 0.000 1.037 315 T CA 1.099 63.194 62.100 -0.008 0.000 1.146 315 T CB -0.157 68.651 68.868 -0.099 0.000 0.865 315 T HN 0.133 nan 8.240 nan 0.000 0.435 316 R N -0.300 120.275 120.500 0.125 0.000 2.081 316 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 316 R C 2.320 178.674 176.300 0.091 0.000 1.131 316 R CA 1.407 57.577 56.100 0.116 0.000 0.960 316 R CB -0.513 29.873 30.300 0.143 0.000 0.856 316 R HN 0.437 nan 8.270 nan 0.000 0.436 317 Y N 1.187 121.488 120.300 0.001 0.000 2.181 317 Y HA -0.208 4.342 4.550 -0.000 0.000 0.288 317 Y C 1.942 177.809 175.900 -0.055 0.000 1.146 317 Y CA 1.395 59.473 58.100 -0.037 0.000 1.164 317 Y CB -0.117 38.327 38.460 -0.027 0.000 0.982 317 Y HN -0.086 nan 8.280 nan 0.000 0.515 318 L N -1.212 120.045 121.223 0.056 0.000 2.056 318 L HA -0.169 4.170 4.340 -0.000 0.000 0.207 318 L C 2.425 179.231 176.870 -0.106 0.000 1.078 318 L CA 1.134 55.947 54.840 -0.045 0.000 0.749 318 L CB -0.881 41.166 42.059 -0.019 0.000 0.901 318 L HN 0.080 nan 8.230 nan 0.000 0.433 319 V N 0.388 120.258 119.914 -0.074 0.000 2.332 319 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 319 V C 2.461 178.496 176.094 -0.098 0.000 1.055 319 V CA 2.099 64.354 62.300 -0.074 0.000 1.038 319 V CB -0.761 31.037 31.823 -0.041 0.000 0.651 319 V HN 0.695 nan 8.190 nan 0.000 0.450 320 E N -0.392 119.733 120.200 -0.126 0.000 2.285 320 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 320 E C 1.652 178.125 176.600 -0.213 0.000 0.997 320 E CA 1.122 57.434 56.400 -0.148 0.000 0.845 320 E CB -0.241 29.377 29.700 -0.136 0.000 0.782 320 E HN 0.593 nan 8.360 nan 0.000 0.491 321 N N -0.220 118.296 118.700 -0.307 0.000 2.415 321 N HA 0.061 4.801 4.740 -0.000 0.000 0.174 321 N C 0.864 176.252 175.510 -0.204 0.000 1.048 321 N CA 0.750 53.601 53.050 -0.332 0.000 0.895 321 N CB 0.597 38.731 38.487 -0.588 0.000 1.036 321 N HN 0.251 nan 8.380 nan 0.000 0.449 322 c N 0.154 118.658 118.600 -0.160 0.000 3.559 322 c HA 0.297 4.867 4.570 -0.000 0.000 0.314 322 c C 0.519 174.563 174.090 -0.076 0.000 1.419 322 c CA -0.534 55.734 56.329 -0.102 0.000 1.775 322 c CB -0.403 42.053 42.510 -0.090 0.000 2.430 322 c HN 0.378 nan 8.230 nan 0.000 0.686 323 N N 0.611 119.261 118.700 -0.083 0.000 2.741 323 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 323 N C -0.305 175.173 175.510 -0.053 0.000 1.115 323 N CA 1.467 54.479 53.050 -0.062 0.000 0.724 323 N CB -1.917 36.541 38.487 -0.048 0.000 1.090 323 N HN 0.827 nan 8.380 nan 0.000 0.558 324 c N -2.238 116.324 118.600 -0.062 0.000 3.312 324 c HA 0.809 5.379 4.570 -0.000 0.000 0.332 324 c C -0.317 173.726 174.090 -0.078 0.000 1.340 324 c CA -1.378 54.916 56.329 -0.057 0.000 1.265 324 c CB 1.819 44.320 42.510 -0.015 0.000 1.563 324 c HN 0.457 nan 8.230 nan 0.000 0.471 325 R N 1.488 121.939 120.500 -0.081 0.000 2.778 325 R HA 0.832 5.172 4.340 -0.000 0.000 0.277 325 R C -0.566 175.720 176.300 -0.023 0.000 0.977 325 R CA -0.803 55.238 56.100 -0.099 0.000 0.950 325 R CB 1.183 31.393 30.300 -0.149 0.000 1.165 325 R HN 0.804 nan 8.270 nan 0.000 0.474 326 M N 1.338 120.868 119.600 -0.117 0.000 2.202 326 M HA 0.040 4.520 4.480 -0.000 0.000 0.316 326 M C 1.431 177.814 176.300 0.137 0.000 1.138 326 M CA -0.262 55.010 55.300 -0.047 0.000 1.151 326 M CB 1.477 33.991 32.600 -0.144 0.000 1.422 326 M HN 0.636 nan 8.290 nan 0.000 0.471 327 V N 1.924 122.004 119.914 0.276 0.000 2.546 327 V HA -0.252 3.868 4.120 -0.000 0.000 0.254 327 V C 2.102 178.192 176.094 -0.006 0.000 1.076 327 V CA 2.218 64.507 62.300 -0.018 0.000 1.087 327 V CB -0.927 30.808 31.823 -0.146 0.000 0.674 327 V HN 0.907 nan 8.190 nan 0.000 0.470 328 H N -1.954 117.118 119.070 0.002 0.000 2.539 328 H HA 0.281 4.837 4.556 -0.000 0.000 0.269 328 H C 0.668 176.009 175.328 0.021 0.000 0.980 328 H CA -0.387 55.675 56.048 0.022 0.000 1.152 328 H CB -0.416 29.338 29.762 -0.013 0.000 1.407 328 H HN 0.423 nan 8.280 nan 0.000 0.564 329 M N 2.856 122.269 119.600 -0.311 0.000 2.318 329 M HA 0.329 4.809 4.480 -0.000 0.000 0.347 329 M C -2.181 173.975 176.300 -0.239 0.000 1.175 329 M CA -1.875 53.239 55.300 -0.310 0.000 1.075 329 M CB 1.780 34.160 32.600 -0.366 0.000 1.614 329 M HN -0.004 nan 8.290 nan 0.000 0.456 330 P HA 0.536 nan 4.420 nan 0.000 0.289 330 P C 0.102 177.059 177.300 -0.571 0.000 1.299 330 P CA 0.135 62.915 63.100 -0.533 0.000 0.766 330 P CB 0.758 31.924 31.700 -0.891 0.000 1.226 331 G N 0.191 108.806 108.800 -0.309 0.000 2.500 331 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.209 331 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.209 331 G C -0.470 174.393 174.900 -0.062 0.000 1.283 331 G CA 0.300 45.401 45.100 0.001 0.000 0.960 331 G HN 0.712 nan 8.290 nan 0.000 0.528 332 D N -0.484 119.878 120.400 -0.063 0.000 2.562 332 D HA 0.509 5.149 4.640 -0.000 0.000 0.246 332 D C 0.974 177.176 176.300 -0.163 0.000 1.347 332 D CA 0.980 54.908 54.000 -0.120 0.000 0.800 332 D CB -0.037 40.729 40.800 -0.056 0.000 1.111 332 D HN 1.293 nan 8.370 nan 0.000 0.508 333 A N 2.034 124.751 122.820 -0.171 0.000 2.386 333 A HA 0.478 4.798 4.320 -0.000 0.000 0.246 333 A C -2.149 175.278 177.584 -0.262 0.000 1.089 333 A CA -0.832 51.108 52.037 -0.162 0.000 0.790 333 A CB -0.217 18.709 19.000 -0.124 0.000 1.042 333 A HN 0.106 nan 8.150 nan 0.000 0.497 334 P HA 0.119 nan 4.420 nan 0.000 0.271 334 P C -1.119 176.092 177.300 -0.149 0.000 1.216 334 P CA 0.181 63.177 63.100 -0.173 0.000 0.776 334 P CB 0.217 31.881 31.700 -0.060 0.000 0.881 335 Y N 0.889 121.191 120.300 0.002 0.000 2.511 335 Y HA 0.002 4.551 4.550 -0.000 0.000 0.332 335 Y C 1.344 177.294 175.900 0.084 0.000 1.177 335 Y CA 0.047 58.167 58.100 0.034 0.000 1.422 335 Y CB -0.218 38.266 38.460 0.040 0.000 1.271 335 Y HN 0.385 nan 8.280 nan 0.000 0.550 336 c N 2.832 121.601 118.600 0.282 0.000 2.679 336 c HA 0.243 4.813 4.570 -0.000 0.000 0.417 336 c C 0.984 175.307 174.090 0.388 0.000 1.302 336 c CA -0.698 55.775 56.329 0.240 0.000 1.973 336 c CB -0.746 41.811 42.510 0.079 0.000 2.715 336 c HN 0.908 nan 8.230 nan 0.000 0.628 337 T N 0.425 115.161 114.554 0.304 0.000 2.847 337 T HA 0.268 4.617 4.350 -0.000 0.000 0.279 337 T C -1.912 172.995 174.700 0.346 0.000 0.984 337 T CA -1.303 60.978 62.100 0.302 0.000 0.988 337 T CB 0.737 69.736 68.868 0.217 0.000 1.040 337 T HN 0.399 nan 8.240 nan 0.000 0.528 338 P HA -0.099 nan 4.420 nan 0.000 0.216 338 P C 1.629 179.025 177.300 0.160 0.000 1.150 338 P CA 0.853 64.040 63.100 0.144 0.000 0.843 338 P CB 0.093 31.789 31.700 -0.007 0.000 0.787 339 E N -0.313 119.959 120.200 0.120 0.000 2.072 339 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 339 E C 2.055 178.723 176.600 0.113 0.000 0.985 339 E CA 1.240 57.688 56.400 0.080 0.000 0.801 339 E CB -0.422 29.304 29.700 0.043 0.000 0.750 339 E HN 0.418 nan 8.360 nan 0.000 0.452 340 Q N -0.927 118.964 119.800 0.150 0.000 2.167 340 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 340 Q C 1.921 178.001 176.000 0.133 0.000 0.970 340 Q CA 0.907 56.779 55.803 0.115 0.000 0.855 340 Q CB -0.144 28.655 28.738 0.100 0.000 0.911 340 Q HN 0.318 nan 8.270 nan 0.000 0.438 341 Y N 1.147 121.500 120.300 0.089 0.000 2.145 341 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 341 Y C 2.444 178.393 175.900 0.081 0.000 1.145 341 Y CA 1.606 59.771 58.100 0.107 0.000 1.148 341 Y CB 0.033 38.581 38.460 0.147 0.000 0.981 341 Y HN -0.043 nan 8.280 nan 0.000 0.507 342 K N -0.114 120.429 120.400 0.238 0.000 2.057 342 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 342 K C 1.632 178.281 176.600 0.083 0.000 1.050 342 K CA 1.661 58.030 56.287 0.137 0.000 0.935 342 K CB 0.083 32.635 32.500 0.087 0.000 0.715 342 K HN 0.201 nan 8.250 nan 0.000 0.439 343 E N -0.589 119.649 120.200 0.064 0.000 2.318 343 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 343 E C 1.637 178.250 176.600 0.021 0.000 0.998 343 E CA 0.477 56.897 56.400 0.032 0.000 0.859 343 E CB 0.377 30.087 29.700 0.017 0.000 0.812 343 E HN 0.340 nan 8.360 nan 0.000 0.492 344 c N -0.704 117.908 118.600 0.020 0.000 2.813 344 c HA 0.495 5.065 4.570 -0.000 0.000 0.488 344 c C 2.630 176.714 174.090 -0.009 0.000 1.357 344 c CA 0.816 57.142 56.329 -0.005 0.000 2.587 344 c CB -0.347 42.146 42.510 -0.028 0.000 3.060 344 c HN 0.359 nan 8.230 nan 0.000 0.534 345 A N 0.842 123.637 122.820 -0.041 0.000 1.858 345 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 345 A C 1.756 179.317 177.584 -0.038 0.000 1.190 345 A CA 2.502 54.479 52.037 -0.101 0.000 0.617 345 A CB -0.894 17.913 19.000 -0.321 0.000 0.827 345 A HN 0.665 nan 8.150 nan 0.000 0.443 346 D N -0.555 119.853 120.400 0.014 0.000 2.097 346 D HA -0.083 4.557 4.640 -0.000 0.000 0.195 346 D C -0.337 176.011 176.300 0.080 0.000 0.989 346 D CA 1.684 55.731 54.000 0.078 0.000 0.827 346 D CB -1.458 39.428 40.800 0.143 0.000 0.966 346 D HN 0.296 nan 8.370 nan 0.000 0.456 347 P HA -0.045 nan 4.420 nan 0.000 0.217 347 P C 1.153 178.537 177.300 0.140 0.000 1.150 347 P CA 1.650 64.805 63.100 0.093 0.000 0.832 347 P CB 0.006 31.744 31.700 0.065 0.000 0.787 348 A N -0.645 122.257 122.820 0.137 0.000 1.898 348 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 348 A C 2.105 179.843 177.584 0.257 0.000 1.181 348 A CA 1.380 53.568 52.037 0.251 0.000 0.620 348 A CB -1.625 17.501 19.000 0.209 0.000 0.819 348 A HN 0.141 nan 8.150 nan 0.000 0.442 349 L N 0.016 121.327 121.223 0.146 0.000 2.056 349 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 349 L C 1.562 178.468 176.870 0.060 0.000 1.078 349 L CA 2.271 57.165 54.840 0.090 0.000 0.749 349 L CB -0.670 41.431 42.059 0.071 0.000 0.901 349 L HN 0.313 nan 8.230 nan 0.000 0.433 350 D N -0.871 119.577 120.400 0.081 0.000 2.123 350 D HA -0.257 4.383 4.640 -0.000 0.000 0.196 350 D C 2.014 178.353 176.300 0.064 0.000 0.992 350 D CA 1.520 55.555 54.000 0.058 0.000 0.833 350 D CB -0.368 40.475 40.800 0.073 0.000 0.954 350 D HN 0.396 nan 8.370 nan 0.000 0.455 351 F N 1.503 121.452 119.950 -0.002 0.000 2.095 351 F HA -0.175 4.351 4.527 -0.000 0.000 0.298 351 F C 2.086 177.853 175.800 -0.056 0.000 1.104 351 F CA 1.276 59.270 58.000 -0.009 0.000 1.232 351 F CB -0.461 38.549 39.000 0.017 0.000 0.987 351 F HN -0.100 nan 8.300 nan 0.000 0.475 352 L N 0.162 121.228 121.223 -0.262 0.000 2.017 352 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 352 L C 2.533 179.235 176.870 -0.280 0.000 1.073 352 L CA 1.571 56.179 54.840 -0.386 0.000 0.745 352 L CB -1.015 40.893 42.059 -0.252 0.000 0.894 352 L HN 0.295 nan 8.230 nan 0.000 0.432 353 V N -3.653 116.163 119.914 -0.164 0.000 3.306 353 V HA -0.041 4.079 4.120 -0.000 0.000 0.264 353 V C 1.577 177.597 176.094 -0.123 0.000 1.149 353 V CA 1.101 63.328 62.300 -0.122 0.000 1.143 353 V CB -0.205 31.572 31.823 -0.077 0.000 0.767 353 V HN 0.479 nan 8.190 nan 0.000 0.476 354 E N 0.432 120.543 120.200 -0.149 0.000 2.288 354 E HA 0.154 4.504 4.350 -0.000 0.000 0.200 354 E C 1.813 178.322 176.600 -0.153 0.000 0.880 354 E CA 0.341 56.672 56.400 -0.114 0.000 0.971 354 E CB 0.212 29.879 29.700 -0.054 0.000 0.954 354 E HN 0.513 nan 8.360 nan 0.000 0.489 355 K N 0.893 121.136 120.400 -0.263 0.000 2.287 355 K HA 0.060 4.380 4.320 -0.000 0.000 0.199 355 K C 0.286 176.629 176.600 -0.428 0.000 1.061 355 K CA 0.035 56.160 56.287 -0.271 0.000 0.976 355 K CB 0.208 32.643 32.500 -0.108 0.000 0.898 355 K HN -0.059 nan 8.250 nan 0.000 0.492 356 D N 1.457 121.345 120.400 -0.853 0.000 2.583 356 D HA -0.086 4.554 4.640 -0.000 0.000 0.232 356 D C -0.037 176.098 176.300 -0.275 0.000 1.128 356 D CA 0.903 54.517 54.000 -0.642 0.000 0.859 356 D CB 0.355 40.777 40.800 -0.630 0.000 1.169 356 D HN 0.133 nan 8.370 nan 0.000 0.481 357 N N 1.758 120.355 118.700 -0.172 0.000 2.159 357 N HA 0.109 4.849 4.740 -0.000 0.000 0.217 357 N C 0.222 175.659 175.510 -0.121 0.000 1.223 357 N CA -0.153 52.824 53.050 -0.122 0.000 0.896 357 N CB 0.866 39.300 38.487 -0.088 0.000 1.064 357 N HN 0.452 nan 8.380 nan 0.000 0.518 358 E N -1.031 119.067 120.200 -0.169 0.000 2.583 358 E HA 0.083 4.432 4.350 -0.000 0.000 0.204 358 E C 0.499 177.008 176.600 -0.152 0.000 0.860 358 E CA -0.044 56.240 56.400 -0.193 0.000 1.473 358 E CB 0.119 29.652 29.700 -0.280 0.000 1.469 358 E HN 0.137 nan 8.360 nan 0.000 0.788 359 Y N 0.938 121.247 120.300 0.014 0.000 2.097 359 Y HA -0.158 4.391 4.550 -0.000 0.000 0.282 359 Y C 1.332 177.235 175.900 0.005 0.000 1.152 359 Y CA 0.549 58.671 58.100 0.037 0.000 1.136 359 Y CB -0.057 38.428 38.460 0.041 0.000 0.975 359 Y HN 0.043 nan 8.280 nan 0.000 0.498 360 c N 1.626 120.290 118.600 0.107 0.000 2.288 360 c HA 0.588 5.157 4.570 -0.000 0.000 0.328 360 c C -0.223 173.875 174.090 0.013 0.000 1.071 360 c CA -1.252 55.107 56.329 0.051 0.000 1.594 360 c CB -1.090 41.424 42.510 0.007 0.000 1.700 360 c HN -0.060 nan 8.230 nan 0.000 0.436 361 V N 2.048 121.976 119.914 0.023 0.000 2.417 361 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 361 V C 0.148 176.261 176.094 0.031 0.000 1.024 361 V CA -0.296 62.008 62.300 0.007 0.000 0.861 361 V CB 1.294 33.114 31.823 -0.006 0.000 0.985 361 V HN 0.839 nan 8.190 nan 0.000 0.436 362 c N 3.828 122.446 118.600 0.030 0.000 2.435 362 c HA 0.537 5.107 4.570 -0.000 0.000 0.333 362 c C 0.459 174.594 174.090 0.075 0.000 1.202 362 c CA -0.898 55.476 56.329 0.075 0.000 1.830 362 c CB 0.976 43.524 42.510 0.064 0.000 2.326 362 c HN 0.888 nan 8.230 nan 0.000 0.507 363 E N 1.437 121.717 120.200 0.134 0.000 2.349 363 E HA 0.237 4.586 4.350 -0.000 0.000 0.265 363 E C -0.279 176.400 176.600 0.131 0.000 1.064 363 E CA -0.471 55.977 56.400 0.080 0.000 0.886 363 E CB 0.480 30.188 29.700 0.012 0.000 1.036 363 E HN 0.484 nan 8.360 nan 0.000 0.413 364 M N 2.675 122.282 119.600 0.011 0.000 2.238 364 M HA 0.143 4.623 4.480 -0.000 0.000 0.350 364 M C -2.193 174.140 176.300 0.055 0.000 1.321 364 M CA -1.635 53.628 55.300 -0.062 0.000 1.097 364 M CB -0.209 32.235 32.600 -0.260 0.000 1.713 364 M HN 0.187 nan 8.290 nan 0.000 0.455 365 P HA 0.168 nan 4.420 nan 0.000 0.274 365 P C 0.118 177.527 177.300 0.182 0.000 1.246 365 P CA -0.364 62.909 63.100 0.289 0.000 0.795 365 P CB 0.713 32.549 31.700 0.227 0.000 1.006 366 c N -1.045 117.685 118.600 0.216 0.000 2.673 366 c HA 0.192 4.762 4.570 -0.000 0.000 0.264 366 c C 0.828 175.077 174.090 0.266 0.000 1.304 366 c CA 0.392 56.869 56.329 0.246 0.000 1.727 366 c CB -1.385 41.209 42.510 0.140 0.000 1.932 366 c HN 0.533 nan 8.230 nan 0.000 0.563 367 N N 0.635 119.469 118.700 0.223 0.000 2.410 367 N HA 0.516 5.255 4.740 -0.000 0.000 0.287 367 N C -1.744 173.857 175.510 0.153 0.000 1.044 367 N CA 0.203 53.343 53.050 0.150 0.000 0.881 367 N CB 1.743 40.291 38.487 0.102 0.000 1.405 367 N HN -0.017 nan 8.380 nan 0.000 0.490 368 V N 2.019 122.017 119.914 0.139 0.000 2.760 368 V HA 0.505 4.625 4.120 -0.000 0.000 0.309 368 V C -0.386 175.728 176.094 0.033 0.000 1.077 368 V CA -0.621 61.746 62.300 0.111 0.000 0.910 368 V CB 2.138 34.077 31.823 0.192 0.000 1.008 368 V HN 0.626 nan 8.190 nan 0.000 0.424 369 T N 4.982 119.537 114.554 0.002 0.000 2.791 369 T HA 0.521 4.871 4.350 -0.000 0.000 0.288 369 T C -0.326 174.272 174.700 -0.170 0.000 0.999 369 T CA -0.429 61.608 62.100 -0.106 0.000 0.952 369 T CB 0.983 69.797 68.868 -0.089 0.000 0.938 369 T HN 0.674 nan 8.240 nan 0.000 0.444 370 R N 2.562 122.913 120.500 -0.248 0.000 2.589 370 R HA 0.514 4.854 4.340 -0.000 0.000 0.293 370 R C -1.540 174.542 176.300 -0.364 0.000 0.963 370 R CA -0.709 55.286 56.100 -0.175 0.000 0.905 370 R CB 0.999 31.260 30.300 -0.064 0.000 1.144 370 R HN 0.557 nan 8.270 nan 0.000 0.459 371 Y N 1.333 121.660 120.300 0.045 0.000 2.345 371 Y HA 0.358 4.907 4.550 -0.000 0.000 0.331 371 Y C 0.805 176.685 175.900 -0.034 0.000 0.959 371 Y CA -0.545 57.570 58.100 0.024 0.000 1.204 371 Y CB 2.131 40.597 38.460 0.010 0.000 1.135 371 Y HN 0.800 nan 8.280 nan 0.000 0.477 372 G N 3.544 112.378 108.800 0.056 0.000 2.406 372 G HA2 0.477 4.437 3.960 -0.000 0.000 0.251 372 G HA3 0.477 4.437 3.960 -0.000 0.000 0.251 372 G C -0.693 174.165 174.900 -0.070 0.000 1.271 372 G CA -0.603 44.491 45.100 -0.011 0.000 0.859 372 G HN 0.556 nan 8.290 nan 0.000 0.540 373 K N 1.583 121.910 120.400 -0.122 0.000 2.468 373 K HA 0.353 4.673 4.320 -0.000 0.000 0.252 373 K C -0.978 175.500 176.600 -0.204 0.000 0.932 373 K CA -0.610 55.544 56.287 -0.222 0.000 0.794 373 K CB 2.947 35.251 32.500 -0.326 0.000 1.241 373 K HN 0.543 nan 8.250 nan 0.000 0.428 374 E N 3.072 123.143 120.200 -0.216 0.000 2.220 374 E HA 0.259 4.609 4.350 -0.000 0.000 0.256 374 E C -1.177 175.333 176.600 -0.151 0.000 0.881 374 E CA -0.776 55.533 56.400 -0.152 0.000 0.766 374 E CB 1.417 31.054 29.700 -0.104 0.000 1.187 374 E HN 0.142 nan 8.360 nan 0.000 0.419 375 L N 2.253 123.394 121.223 -0.136 0.000 2.334 375 L HA 0.493 4.833 4.340 -0.000 0.000 0.275 375 L C 0.150 177.017 176.870 -0.005 0.000 1.036 375 L CA -0.125 54.661 54.840 -0.089 0.000 0.807 375 L CB 1.586 43.558 42.059 -0.145 0.000 1.231 375 L HN 0.573 nan 8.230 nan 0.000 0.438 376 S N 2.292 118.044 115.700 0.087 0.000 2.638 376 S HA 0.955 5.425 4.470 -0.000 0.000 0.274 376 S C -0.866 173.854 174.600 0.200 0.000 1.157 376 S CA -0.965 57.310 58.200 0.126 0.000 0.826 376 S CB 2.070 65.362 63.200 0.154 0.000 1.139 376 S HN 0.603 nan 8.310 nan 0.000 0.474 377 M N 0.269 119.975 119.600 0.177 0.000 2.578 377 M HA 0.819 5.298 4.480 -0.000 0.000 0.276 377 M C -1.374 175.087 176.300 0.269 0.000 1.245 377 M CA -1.051 54.362 55.300 0.188 0.000 0.871 377 M CB 1.612 34.207 32.600 -0.008 0.000 1.722 377 M HN 0.966 nan 8.290 nan 0.000 0.473 378 V N -1.779 118.325 119.914 0.316 0.000 3.141 378 V HA 0.718 4.838 4.120 -0.000 0.000 0.312 378 V C -0.753 175.514 176.094 0.288 0.000 1.157 378 V CA -0.896 61.578 62.300 0.290 0.000 1.041 378 V CB 2.005 33.980 31.823 0.253 0.000 1.071 378 V HN 0.964 nan 8.190 nan 0.000 0.441 379 K N 1.416 121.891 120.400 0.124 0.000 2.174 379 K HA 0.643 4.963 4.320 -0.000 0.000 0.275 379 K C -1.287 175.243 176.600 -0.117 0.000 1.015 379 K CA -0.461 55.750 56.287 -0.126 0.000 0.933 379 K CB 1.508 33.915 32.500 -0.154 0.000 1.025 379 K HN 0.875 nan 8.250 nan 0.000 0.463 380 I N 5.201 125.645 120.570 -0.210 0.000 2.656 380 I HA 0.409 4.578 4.170 -0.000 0.000 0.292 380 I C -2.552 173.476 176.117 -0.148 0.000 1.144 380 I CA -2.232 58.996 61.300 -0.120 0.000 1.038 380 I CB 2.817 40.771 38.000 -0.077 0.000 1.244 380 I HN 0.478 nan 8.210 nan 0.000 0.420 381 P HA 0.312 nan 4.420 nan 0.000 0.283 381 P C -0.930 176.350 177.300 -0.033 0.000 1.278 381 P CA -0.376 62.706 63.100 -0.030 0.000 0.834 381 P CB 1.592 33.298 31.700 0.011 0.000 1.150 382 S N 0.622 116.317 115.700 -0.008 0.000 2.645 382 S HA 0.206 4.676 4.470 -0.000 0.000 0.266 382 S C 1.286 175.886 174.600 0.000 0.000 1.258 382 S CA -0.543 57.652 58.200 -0.008 0.000 0.990 382 S CB 0.485 63.686 63.200 0.002 0.000 0.967 382 S HN 0.269 nan 8.310 nan 0.000 0.556 383 K N 1.069 121.468 120.400 -0.002 0.000 2.063 383 K HA -0.070 4.250 4.320 -0.000 0.000 0.208 383 K C 2.221 178.829 176.600 0.014 0.000 1.048 383 K CA 1.648 57.937 56.287 0.004 0.000 0.928 383 K CB -1.306 31.194 32.500 0.001 0.000 0.713 383 K HN 0.816 nan 8.250 nan 0.000 0.442 384 A N 1.109 123.935 122.820 0.011 0.000 2.168 384 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 384 A C 2.006 179.607 177.584 0.028 0.000 1.152 384 A CA 1.770 53.815 52.037 0.013 0.000 0.716 384 A CB -0.256 18.744 19.000 0.000 0.000 0.794 384 A HN 0.401 nan 8.150 nan 0.000 0.465 385 S N -2.074 113.652 115.700 0.044 0.000 2.578 385 S HA 0.468 4.937 4.470 -0.000 0.000 0.228 385 S C 1.803 176.482 174.600 0.132 0.000 1.022 385 S CA 0.766 59.021 58.200 0.092 0.000 0.967 385 S CB -0.080 63.166 63.200 0.077 0.000 0.914 385 S HN 0.665 nan 8.310 nan 0.000 0.515 386 A N 2.874 125.741 122.820 0.079 0.000 1.892 386 A HA -0.116 4.203 4.320 -0.000 0.000 0.218 386 A C 2.172 179.801 177.584 0.076 0.000 1.188 386 A CA 1.933 54.011 52.037 0.069 0.000 0.631 386 A CB -0.793 18.229 19.000 0.037 0.000 0.822 386 A HN 0.571 nan 8.150 nan 0.000 0.447 387 K N -1.973 118.471 120.400 0.074 0.000 2.097 387 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 387 K C 1.935 178.574 176.600 0.064 0.000 1.049 387 K CA 1.616 57.938 56.287 0.058 0.000 0.933 387 K CB -0.370 32.162 32.500 0.053 0.000 0.717 387 K HN 0.556 nan 8.250 nan 0.000 0.442 388 Y N 1.342 121.644 120.300 0.003 0.000 2.145 388 Y HA -0.205 4.345 4.550 -0.000 0.000 0.286 388 Y C 1.612 177.510 175.900 -0.004 0.000 1.145 388 Y CA 1.624 59.719 58.100 -0.008 0.000 1.148 388 Y CB -0.211 38.245 38.460 -0.006 0.000 0.981 388 Y HN -0.006 nan 8.280 nan 0.000 0.507 389 L N -0.354 120.848 121.223 -0.035 0.000 2.093 389 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 389 L C 2.790 179.661 176.870 0.001 0.000 1.085 389 L CA 0.975 55.803 54.840 -0.022 0.000 0.755 389 L CB -0.974 41.191 42.059 0.177 0.000 0.904 389 L HN 0.341 nan 8.230 nan 0.000 0.435 390 A N 0.568 123.390 122.820 0.004 0.000 1.902 390 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 390 A C 2.317 179.860 177.584 -0.068 0.000 1.181 390 A CA 2.175 54.215 52.037 0.004 0.000 0.623 390 A CB -0.387 18.619 19.000 0.011 0.000 0.818 390 A HN 0.285 nan 8.150 nan 0.000 0.443 391 K N 0.339 120.660 120.400 -0.131 0.000 2.057 391 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 391 K C 2.011 178.446 176.600 -0.274 0.000 1.050 391 K CA 1.995 58.181 56.287 -0.169 0.000 0.935 391 K CB -0.300 32.109 32.500 -0.152 0.000 0.715 391 K HN 0.391 nan 8.250 nan 0.000 0.439 392 K N -0.928 119.190 120.400 -0.470 0.000 2.103 392 K HA -0.159 4.160 4.320 -0.000 0.000 0.207 392 K C 0.751 176.921 176.600 -0.717 0.000 1.048 392 K CA 1.568 57.443 56.287 -0.687 0.000 0.930 392 K CB -0.069 31.808 32.500 -1.038 0.000 0.716 392 K HN 0.311 nan 8.250 nan 0.000 0.444 393 Y N -0.086 120.120 120.300 -0.157 0.000 2.555 393 Y HA 0.156 4.706 4.550 -0.000 0.000 0.259 393 Y C -0.024 175.794 175.900 -0.136 0.000 1.179 393 Y CA -0.453 57.574 58.100 -0.121 0.000 1.230 393 Y CB 0.316 38.720 38.460 -0.095 0.000 1.146 393 Y HN 0.156 nan 8.280 nan 0.000 0.526 394 N N 1.679 120.341 118.700 -0.064 0.000 2.696 394 N HA -0.208 4.532 4.740 -0.000 0.000 0.256 394 N C -1.237 174.207 175.510 -0.111 0.000 1.031 394 N CA 0.586 53.589 53.050 -0.079 0.000 0.730 394 N CB -0.542 37.902 38.487 -0.072 0.000 0.894 394 N HN 0.137 nan 8.380 nan 0.000 0.544 395 K N -0.572 119.761 120.400 -0.111 0.000 2.439 395 K HA 0.544 4.864 4.320 -0.000 0.000 0.260 395 K C 0.008 176.567 176.600 -0.068 0.000 1.032 395 K CA -0.432 55.736 56.287 -0.199 0.000 0.882 395 K CB 1.160 33.457 32.500 -0.338 0.000 1.420 395 K HN 0.282 nan 8.250 nan 0.000 0.455 396 S N -0.673 115.015 115.700 -0.020 0.000 2.652 396 S HA 0.233 4.702 4.470 -0.000 0.000 0.270 396 S C 0.916 175.564 174.600 0.081 0.000 1.243 396 S CA -0.385 57.838 58.200 0.037 0.000 0.999 396 S CB 1.237 64.471 63.200 0.057 0.000 0.973 396 S HN 0.513 nan 8.310 nan 0.000 0.544 397 E N 0.348 120.581 120.200 0.056 0.000 2.110 397 E HA -0.232 4.117 4.350 -0.000 0.000 0.193 397 E C 2.077 178.711 176.600 0.058 0.000 0.988 397 E CA 1.282 57.714 56.400 0.054 0.000 0.804 397 E CB -0.154 29.565 29.700 0.033 0.000 0.745 397 E HN 0.835 nan 8.360 nan 0.000 0.458 398 Q N -0.002 119.832 119.800 0.056 0.000 2.124 398 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 398 Q C 2.002 178.029 176.000 0.047 0.000 0.977 398 Q CA 1.310 57.134 55.803 0.035 0.000 0.850 398 Q CB -0.161 28.595 28.738 0.029 0.000 0.901 398 Q HN 0.339 nan 8.270 nan 0.000 0.429 399 Y N 0.838 121.122 120.300 -0.027 0.000 2.145 399 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 399 Y C 1.899 177.772 175.900 -0.045 0.000 1.145 399 Y CA 1.521 59.601 58.100 -0.033 0.000 1.148 399 Y CB -0.206 38.243 38.460 -0.019 0.000 0.981 399 Y HN 0.153 nan 8.280 nan 0.000 0.507 400 I N 0.335 121.052 120.570 0.245 0.000 2.151 400 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 400 I C 2.688 178.792 176.117 -0.023 0.000 1.080 400 I CA 1.807 63.186 61.300 0.131 0.000 1.339 400 I CB -2.036 36.028 38.000 0.105 0.000 1.039 400 I HN 0.418 nan 8.210 nan 0.000 0.409 401 G N 0.323 109.098 108.800 -0.041 0.000 2.448 401 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.219 401 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.219 401 G C 1.503 176.315 174.900 -0.146 0.000 1.127 401 G CA 0.494 45.536 45.100 -0.097 0.000 0.766 401 G HN 0.524 nan 8.290 nan 0.000 0.552 402 E N -0.258 119.833 120.200 -0.181 0.000 2.415 402 E HA 0.089 4.439 4.350 -0.000 0.000 0.197 402 E C 1.418 177.840 176.600 -0.296 0.000 1.007 402 E CA 0.029 56.292 56.400 -0.228 0.000 0.890 402 E CB 0.244 29.793 29.700 -0.251 0.000 0.891 402 E HN 0.333 nan 8.360 nan 0.000 0.496 403 N N -0.004 118.491 118.700 -0.342 0.000 2.297 403 N HA 0.077 4.817 4.740 -0.000 0.000 0.208 403 N C 0.057 175.453 175.510 -0.189 0.000 1.176 403 N CA 0.087 52.933 53.050 -0.341 0.000 0.882 403 N CB 1.395 39.514 38.487 -0.613 0.000 1.134 403 N HN 0.018 nan 8.380 nan 0.000 0.489 404 I N 2.902 123.388 120.570 -0.140 0.000 2.428 404 I HA 0.266 4.436 4.170 -0.000 0.000 0.289 404 I C 0.071 176.123 176.117 -0.107 0.000 1.019 404 I CA -0.613 60.619 61.300 -0.114 0.000 1.351 404 I CB 0.525 38.474 38.000 -0.086 0.000 1.412 404 I HN -0.033 nan 8.210 nan 0.000 0.513 405 L N 5.364 126.522 121.223 -0.109 0.000 2.466 405 L HA 0.825 5.165 4.340 -0.000 0.000 0.258 405 L C -1.061 175.747 176.870 -0.104 0.000 0.973 405 L CA -0.736 54.054 54.840 -0.085 0.000 0.826 405 L CB 1.764 43.783 42.059 -0.067 0.000 1.372 405 L HN 0.146 nan 8.230 nan 0.000 0.409 406 V N 2.679 122.537 119.914 -0.094 0.000 2.604 406 V HA 0.729 4.849 4.120 -0.000 0.000 0.305 406 V C -0.945 175.070 176.094 -0.132 0.000 1.043 406 V CA -0.433 61.800 62.300 -0.112 0.000 0.888 406 V CB 1.809 33.568 31.823 -0.107 0.000 0.995 406 V HN 0.819 nan 8.190 nan 0.000 0.429 407 L N 3.903 125.056 121.223 -0.117 0.000 2.381 407 L HA 0.728 5.068 4.340 -0.000 0.000 0.274 407 L C -1.191 175.664 176.870 -0.024 0.000 0.988 407 L CA 0.077 54.869 54.840 -0.080 0.000 0.824 407 L CB 1.891 43.906 42.059 -0.073 0.000 1.263 407 L HN 0.653 nan 8.230 nan 0.000 0.410 408 D N 5.717 126.132 120.400 0.025 0.000 2.408 408 D HA 0.572 5.212 4.640 -0.000 0.000 0.243 408 D C -0.737 175.772 176.300 0.350 0.000 1.075 408 D CA 0.165 54.284 54.000 0.199 0.000 0.832 408 D CB 1.777 42.736 40.800 0.266 0.000 1.162 408 D HN 0.414 nan 8.370 nan 0.000 0.515 409 I N 4.075 124.860 120.570 0.358 0.000 2.389 409 I HA 0.506 4.676 4.170 -0.000 0.000 0.288 409 I C -0.863 175.536 176.117 0.470 0.000 0.999 409 I CA -0.850 60.614 61.300 0.274 0.000 1.129 409 I CB 0.427 38.578 38.000 0.252 0.000 1.288 409 I HN 0.330 nan 8.210 nan 0.000 0.444 410 F N 4.148 124.175 119.950 0.128 0.000 2.789 410 F HA 0.691 5.218 4.527 -0.000 0.000 0.319 410 F C -1.858 173.911 175.800 -0.052 0.000 1.168 410 F CA -1.448 56.688 58.000 0.227 0.000 0.934 410 F CB 0.921 40.038 39.000 0.194 0.000 1.375 410 F HN 0.004 nan 8.300 nan 0.000 0.480 411 F N 0.800 120.943 119.950 0.321 0.000 2.522 411 F HA 0.492 5.019 4.527 -0.000 0.000 0.324 411 F C 0.279 176.225 175.800 0.243 0.000 1.077 411 F CA -0.873 57.224 58.000 0.162 0.000 0.944 411 F CB 1.880 40.995 39.000 0.192 0.000 1.175 411 F HN 0.690 nan 8.300 nan 0.000 0.468 412 E N 1.286 121.646 120.200 0.268 0.000 2.376 412 E HA 0.498 4.848 4.350 -0.000 0.000 0.254 412 E C 0.736 177.475 176.600 0.232 0.000 1.213 412 E CA -0.236 56.306 56.400 0.236 0.000 0.945 412 E CB 0.685 30.463 29.700 0.129 0.000 1.057 412 E HN 0.631 nan 8.360 nan 0.000 0.479 413 A N 1.354 124.273 122.820 0.166 0.000 1.859 413 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 413 A C 1.614 179.275 177.584 0.130 0.000 1.198 413 A CA 1.148 53.264 52.037 0.131 0.000 0.629 413 A CB -0.925 18.129 19.000 0.090 0.000 0.830 413 A HN 0.569 nan 8.150 nan 0.000 0.446 414 L N 1.622 122.915 121.223 0.116 0.000 2.384 414 L HA 0.049 4.389 4.340 -0.000 0.000 0.258 414 L C 0.839 177.801 176.870 0.154 0.000 1.266 414 L CA -0.251 54.655 54.840 0.110 0.000 1.162 414 L CB -0.437 41.666 42.059 0.074 0.000 1.375 414 L HN 0.597 nan 8.230 nan 0.000 0.420 415 N N 0.087 118.905 118.700 0.197 0.000 2.494 415 N HA -0.164 4.576 4.740 -0.000 0.000 0.182 415 N C -0.157 175.530 175.510 0.295 0.000 1.076 415 N CA 0.497 53.714 53.050 0.280 0.000 0.908 415 N CB 0.053 38.669 38.487 0.215 0.000 0.967 415 N HN 0.357 nan 8.380 nan 0.000 0.449 416 Y N 0.543 120.875 120.300 0.053 0.000 2.329 416 Y HA 0.435 4.985 4.550 -0.000 0.000 0.328 416 Y C -1.279 174.622 175.900 0.002 0.000 0.992 416 Y CA -1.812 56.296 58.100 0.014 0.000 1.151 416 Y CB 1.204 39.656 38.460 -0.014 0.000 1.150 416 Y HN 0.084 nan 8.280 nan 0.000 0.450 417 E N 3.892 123.874 120.200 -0.363 0.000 2.187 417 E HA 0.446 4.795 4.350 -0.000 0.000 0.268 417 E C -1.428 174.817 176.600 -0.592 0.000 0.896 417 E CA -0.606 55.570 56.400 -0.373 0.000 0.766 417 E CB 1.647 31.241 29.700 -0.178 0.000 1.142 417 E HN 0.613 nan 8.360 nan 0.000 0.408 418 T N 4.875 119.132 114.554 -0.495 0.000 2.824 418 T HA 0.536 4.886 4.350 -0.000 0.000 0.282 418 T C -0.804 173.749 174.700 -0.246 0.000 0.993 418 T CA -0.570 61.279 62.100 -0.419 0.000 0.967 418 T CB 0.446 69.076 68.868 -0.396 0.000 0.960 418 T HN 0.439 nan 8.240 nan 0.000 0.441 419 I N 4.664 125.098 120.570 -0.227 0.000 2.521 419 I HA 0.397 4.566 4.170 -0.000 0.000 0.277 419 I C -0.255 175.715 176.117 -0.244 0.000 1.054 419 I CA -0.638 60.546 61.300 -0.193 0.000 1.117 419 I CB 1.493 39.390 38.000 -0.171 0.000 1.217 419 I HN 0.609 nan 8.210 nan 0.000 0.469 420 E N 6.501 126.585 120.200 -0.193 0.000 2.210 420 E HA 0.374 4.724 4.350 -0.000 0.000 0.266 420 E C -1.031 175.478 176.600 -0.152 0.000 0.883 420 E CA -0.655 55.622 56.400 -0.205 0.000 0.761 420 E CB 1.573 31.183 29.700 -0.151 0.000 1.156 420 E HN 0.485 nan 8.360 nan 0.000 0.412 421 Q N 3.359 123.050 119.800 -0.181 0.000 2.288 421 Q HA 0.254 4.594 4.340 -0.000 0.000 0.258 421 Q C -0.596 175.350 176.000 -0.091 0.000 0.957 421 Q CA -0.251 55.486 55.803 -0.109 0.000 0.919 421 Q CB 1.145 29.779 28.738 -0.173 0.000 1.185 421 Q HN 0.200 nan 8.270 nan 0.000 0.408 422 K N 2.175 122.554 120.400 -0.036 0.000 2.318 422 K HA 0.372 4.692 4.320 -0.000 0.000 0.249 422 K C -0.720 175.845 176.600 -0.058 0.000 0.942 422 K CA -0.917 55.323 56.287 -0.078 0.000 0.808 422 K CB 1.750 34.218 32.500 -0.054 0.000 1.189 422 K HN 0.387 nan 8.250 nan 0.000 0.428 423 K N 1.143 121.431 120.400 -0.187 0.000 2.436 423 K HA 0.071 4.391 4.320 -0.000 0.000 0.282 423 K C 0.901 177.510 176.600 0.015 0.000 1.044 423 K CA 0.039 56.224 56.287 -0.171 0.000 1.028 423 K CB 0.542 32.822 32.500 -0.366 0.000 0.919 423 K HN 0.694 nan 8.250 nan 0.000 0.474 424 A N 3.654 126.538 122.820 0.107 0.000 1.935 424 A HA -0.097 4.223 4.320 -0.000 0.000 0.214 424 A C 0.122 177.868 177.584 0.269 0.000 1.178 424 A CA 1.077 53.204 52.037 0.149 0.000 0.640 424 A CB 0.053 19.131 19.000 0.131 0.000 0.825 424 A HN 0.690 nan 8.150 nan 0.000 0.447 425 Y N 1.442 121.780 120.300 0.064 0.000 2.594 425 Y HA 0.407 4.957 4.550 -0.000 0.000 0.338 425 Y C -0.432 175.569 175.900 0.169 0.000 1.019 425 Y CA -1.627 56.543 58.100 0.116 0.000 1.306 425 Y CB 0.378 38.905 38.460 0.112 0.000 1.094 425 Y HN 0.333 nan 8.280 nan 0.000 0.534 426 E N 2.310 122.542 120.200 0.053 0.000 2.314 426 E HA 0.206 4.556 4.350 -0.000 0.000 0.262 426 E C 0.794 177.385 176.600 -0.015 0.000 1.093 426 E CA -0.449 56.016 56.400 0.107 0.000 0.908 426 E CB 1.716 31.449 29.700 0.054 0.000 1.091 426 E HN 0.404 nan 8.360 nan 0.000 0.425 427 V N 1.526 121.482 119.914 0.069 0.000 2.250 427 V HA -0.353 3.767 4.120 -0.000 0.000 0.250 427 V C 2.111 178.077 176.094 -0.215 0.000 1.060 427 V CA 2.573 64.752 62.300 -0.201 0.000 1.030 427 V CB -0.876 30.874 31.823 -0.121 0.000 0.643 427 V HN 0.882 nan 8.190 nan 0.000 0.445 428 A N 0.158 122.909 122.820 -0.115 0.000 2.032 428 A HA -0.135 4.185 4.320 -0.000 0.000 0.221 428 A C 2.306 179.816 177.584 -0.122 0.000 1.165 428 A CA 2.044 54.024 52.037 -0.096 0.000 0.645 428 A CB -0.980 17.991 19.000 -0.049 0.000 0.807 428 A HN 0.602 nan 8.150 nan 0.000 0.453 429 G N -0.996 107.691 108.800 -0.188 0.000 2.453 429 G HA2 0.037 3.997 3.960 -0.000 0.000 0.215 429 G HA3 0.037 3.997 3.960 -0.000 0.000 0.215 429 G C 1.506 176.199 174.900 -0.345 0.000 1.147 429 G CA 0.639 45.616 45.100 -0.204 0.000 0.802 429 G HN 0.413 nan 8.290 nan 0.000 0.535 430 L N -0.117 120.736 121.223 -0.615 0.000 1.988 430 L HA 0.032 4.371 4.340 -0.000 0.000 0.207 430 L C 2.607 179.364 176.870 -0.189 0.000 1.071 430 L CA 0.873 55.415 54.840 -0.496 0.000 0.744 430 L CB -0.177 41.518 42.059 -0.607 0.000 0.893 430 L HN 0.114 nan 8.230 nan 0.000 0.433 431 L N 0.106 121.206 121.223 -0.204 0.000 2.353 431 L HA -0.100 4.240 4.340 -0.000 0.000 0.220 431 L C 2.427 179.258 176.870 -0.066 0.000 1.133 431 L CA 1.572 56.341 54.840 -0.118 0.000 0.798 431 L CB -1.400 40.589 42.059 -0.118 0.000 0.922 431 L HN 0.280 nan 8.230 nan 0.000 0.445 432 G N -1.745 107.017 108.800 -0.064 0.000 2.712 432 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.212 432 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.212 432 G C 1.129 176.034 174.900 0.009 0.000 1.142 432 G CA 0.342 45.429 45.100 -0.022 0.000 0.789 432 G HN 0.307 nan 8.290 nan 0.000 0.535 433 D N 0.275 120.690 120.400 0.025 0.000 2.490 433 D HA 0.034 4.673 4.640 -0.000 0.000 0.244 433 D C 2.340 178.658 176.300 0.031 0.000 0.979 433 D CA 0.333 54.367 54.000 0.057 0.000 0.924 433 D CB -0.009 40.876 40.800 0.141 0.000 1.075 433 D HN 0.486 nan 8.370 nan 0.000 0.488 434 I N -1.817 118.764 120.570 0.017 0.000 3.904 434 I HA 0.430 4.599 4.170 -0.000 0.000 0.333 434 I C 1.568 177.682 176.117 -0.005 0.000 1.361 434 I CA -0.257 61.044 61.300 0.001 0.000 1.116 434 I CB 0.143 38.137 38.000 -0.010 0.000 1.028 434 I HN -0.188 nan 8.210 nan 0.000 0.398 435 G N 2.227 111.023 108.800 -0.007 0.000 2.736 435 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.214 435 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.214 435 G C 1.436 176.342 174.900 0.009 0.000 1.327 435 G CA 1.019 46.115 45.100 -0.007 0.000 0.818 435 G HN 0.464 nan 8.290 nan 0.000 0.611 436 G N -0.266 108.542 108.800 0.012 0.000 2.448 436 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 436 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 436 G C 1.764 176.685 174.900 0.034 0.000 1.127 436 G CA 1.439 46.552 45.100 0.022 0.000 0.766 436 G HN 0.507 nan 8.290 nan 0.000 0.552 437 Q N 0.094 119.911 119.800 0.028 0.000 1.985 437 Q HA -0.125 4.215 4.340 -0.000 0.000 0.207 437 Q C 2.414 178.452 176.000 0.063 0.000 0.996 437 Q CA 2.115 57.938 55.803 0.033 0.000 0.851 437 Q CB -0.371 28.373 28.738 0.010 0.000 0.921 437 Q HN 0.498 nan 8.270 nan 0.000 0.418 438 M N -1.020 118.611 119.600 0.052 0.000 2.476 438 M HA 0.031 4.510 4.480 -0.000 0.000 0.262 438 M C 1.650 178.035 176.300 0.142 0.000 1.079 438 M CA 1.377 56.737 55.300 0.102 0.000 1.104 438 M CB -0.149 32.479 32.600 0.047 0.000 1.409 438 M HN 0.359 nan 8.290 nan 0.000 0.467 439 G N 1.115 109.965 108.800 0.084 0.000 2.421 439 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 439 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 439 G C 1.344 176.288 174.900 0.073 0.000 1.171 439 G CA 0.801 45.940 45.100 0.065 0.000 0.775 439 G HN 0.474 nan 8.290 nan 0.000 0.543 440 L N -0.944 120.329 121.223 0.085 0.000 2.156 440 L HA 0.134 4.474 4.340 -0.000 0.000 0.208 440 L C 2.524 179.449 176.870 0.092 0.000 1.095 440 L CA 0.496 55.380 54.840 0.072 0.000 0.770 440 L CB -0.353 41.746 42.059 0.067 0.000 0.914 440 L HN 0.237 nan 8.230 nan 0.000 0.439 441 F N 0.929 120.882 119.950 0.006 0.000 2.234 441 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 441 F C 2.227 178.032 175.800 0.008 0.000 1.087 441 F CA 1.336 59.341 58.000 0.008 0.000 1.340 441 F CB 0.000 39.004 39.000 0.007 0.000 1.031 441 F HN -0.102 nan 8.300 nan 0.000 0.500 442 I N -0.039 120.577 120.570 0.076 0.000 2.394 442 I HA -0.171 3.999 4.170 -0.000 0.000 0.251 442 I C 2.231 178.293 176.117 -0.093 0.000 1.136 442 I CA 1.201 62.494 61.300 -0.012 0.000 1.425 442 I CB -1.098 36.932 38.000 0.050 0.000 1.079 442 I HN 0.231 nan 8.210 nan 0.000 0.425 443 G N 0.027 108.793 108.800 -0.058 0.000 3.295 443 G HA2 0.297 4.257 3.960 -0.000 0.000 0.231 443 G HA3 0.297 4.257 3.960 -0.000 0.000 0.231 443 G C 0.927 175.779 174.900 -0.080 0.000 1.277 443 G CA 0.706 45.774 45.100 -0.053 0.000 1.013 443 G HN 0.476 nan 8.290 nan 0.000 0.509 444 A N -0.832 121.878 122.820 -0.184 0.000 1.895 444 A HA 0.351 4.671 4.320 -0.000 0.000 0.198 444 A C 2.230 179.647 177.584 -0.279 0.000 1.709 444 A CA 1.080 52.994 52.037 -0.205 0.000 1.194 444 A CB -0.121 18.695 19.000 -0.306 0.000 1.260 444 A HN 0.166 nan 8.150 nan 0.000 0.441 445 S N 0.603 116.066 115.700 -0.396 0.000 2.383 445 S HA -0.037 4.433 4.470 -0.000 0.000 0.227 445 S C 1.730 176.220 174.600 -0.184 0.000 1.026 445 S CA 1.545 59.565 58.200 -0.301 0.000 0.981 445 S CB -0.372 62.668 63.200 -0.267 0.000 0.818 445 S HN 0.509 nan 8.310 nan 0.000 0.472 446 I N 0.876 121.347 120.570 -0.164 0.000 2.277 446 I HA -0.048 4.121 4.170 -0.000 0.000 0.243 446 I C 2.245 178.263 176.117 -0.166 0.000 1.094 446 I CA 0.767 61.983 61.300 -0.140 0.000 1.393 446 I CB -0.278 37.657 38.000 -0.108 0.000 1.078 446 I HN 0.205 nan 8.210 nan 0.000 0.417 447 L N 0.479 121.596 121.223 -0.176 0.000 2.079 447 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 447 L C 2.561 179.172 176.870 -0.431 0.000 1.081 447 L CA 1.599 56.287 54.840 -0.253 0.000 0.752 447 L CB -0.302 41.659 42.059 -0.163 0.000 0.896 447 L HN 0.303 nan 8.230 nan 0.000 0.433 448 T N -1.133 113.220 114.554 -0.336 0.000 2.732 448 T HA -0.145 4.204 4.350 -0.000 0.000 0.261 448 T C 1.825 176.408 174.700 -0.195 0.000 1.040 448 T CA 1.425 63.331 62.100 -0.322 0.000 1.145 448 T CB -0.186 68.588 68.868 -0.157 0.000 0.866 448 T HN 0.132 nan 8.240 nan 0.000 0.427 449 V N 1.607 121.442 119.914 -0.132 0.000 2.720 449 V HA -0.081 4.039 4.120 -0.000 0.000 0.256 449 V C 2.256 178.316 176.094 -0.057 0.000 1.082 449 V CA 0.987 63.250 62.300 -0.063 0.000 1.101 449 V CB -0.667 31.090 31.823 -0.110 0.000 0.693 449 V HN 0.275 nan 8.190 nan 0.000 0.479 450 L N 0.081 121.228 121.223 -0.125 0.000 2.034 450 L HA -0.014 4.326 4.340 -0.000 0.000 0.203 450 L C 2.491 179.350 176.870 -0.018 0.000 1.074 450 L CA 1.841 56.626 54.840 -0.091 0.000 0.748 450 L CB -0.716 41.262 42.059 -0.135 0.000 0.905 450 L HN 0.181 nan 8.230 nan 0.000 0.439 451 E N -0.154 119.957 120.200 -0.147 0.000 2.267 451 E HA -0.237 4.112 4.350 -0.000 0.000 0.197 451 E C 2.214 178.860 176.600 0.076 0.000 0.998 451 E CA 1.224 57.567 56.400 -0.095 0.000 0.830 451 E CB -0.404 29.058 29.700 -0.396 0.000 0.751 451 E HN 0.544 nan 8.360 nan 0.000 0.491 452 L N -0.623 120.653 121.223 0.089 0.000 2.240 452 L HA -0.060 4.280 4.340 -0.000 0.000 0.211 452 L C 1.912 178.938 176.870 0.260 0.000 1.106 452 L CA 0.661 55.618 54.840 0.195 0.000 0.793 452 L CB -0.029 42.129 42.059 0.165 0.000 0.927 452 L HN -0.047 nan 8.230 nan 0.000 0.446 453 F N 0.348 120.323 119.950 0.042 0.000 2.416 453 F HA -0.058 4.469 4.527 -0.000 0.000 0.296 453 F C 1.839 177.707 175.800 0.114 0.000 1.099 453 F CA 0.914 58.942 58.000 0.046 0.000 1.427 453 F CB -0.170 38.831 39.000 0.002 0.000 1.079 453 F HN 0.152 nan 8.300 nan 0.000 0.536 454 D N -1.613 118.955 120.400 0.280 0.000 2.219 454 D HA -0.220 4.420 4.640 -0.000 0.000 0.205 454 D C 1.902 178.359 176.300 0.261 0.000 0.970 454 D CA 1.028 55.175 54.000 0.246 0.000 0.851 454 D CB -0.367 40.546 40.800 0.188 0.000 0.943 454 D HN 0.417 nan 8.370 nan 0.000 0.488 455 Y N 0.391 120.746 120.300 0.092 0.000 2.365 455 Y HA 0.032 4.582 4.550 -0.000 0.000 0.293 455 Y C 2.244 178.156 175.900 0.020 0.000 1.119 455 Y CA 0.562 58.697 58.100 0.059 0.000 1.203 455 Y CB 0.225 38.730 38.460 0.074 0.000 1.026 455 Y HN -0.028 nan 8.280 nan 0.000 0.549 456 A N 0.059 122.843 122.820 -0.059 0.000 1.898 456 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 456 A C 2.085 179.616 177.584 -0.089 0.000 1.181 456 A CA 1.469 53.353 52.037 -0.255 0.000 0.620 456 A CB -1.538 17.169 19.000 -0.489 0.000 0.819 456 A HN 0.758 nan 8.150 nan 0.000 0.442 457 Y N -0.205 120.010 120.300 -0.141 0.000 2.293 457 Y HA -0.155 4.394 4.550 -0.000 0.000 0.291 457 Y C 2.586 178.467 175.900 -0.031 0.000 1.137 457 Y CA 1.182 59.238 58.100 -0.073 0.000 1.202 457 Y CB 0.162 38.619 38.460 -0.004 0.000 0.990 457 Y HN 0.460 nan 8.280 nan 0.000 0.537 458 E N 0.100 120.351 120.200 0.085 0.000 2.106 458 E HA -0.147 4.202 4.350 -0.000 0.000 0.192 458 E C 1.940 178.545 176.600 0.008 0.000 0.984 458 E CA 1.270 57.684 56.400 0.022 0.000 0.806 458 E CB -0.045 29.740 29.700 0.142 0.000 0.750 458 E HN 0.387 nan 8.360 nan 0.000 0.458 459 V N 1.185 121.086 119.914 -0.022 0.000 2.719 459 V HA -0.156 3.964 4.120 -0.000 0.000 0.252 459 V C 2.400 178.469 176.094 -0.043 0.000 1.065 459 V CA 0.948 63.208 62.300 -0.066 0.000 1.086 459 V CB -0.307 31.395 31.823 -0.200 0.000 0.700 459 V HN 0.232 nan 8.190 nan 0.000 0.467 460 I N -0.812 119.753 120.570 -0.008 0.000 2.286 460 I HA -0.082 4.088 4.170 -0.000 0.000 0.245 460 I C 1.433 177.562 176.117 0.021 0.000 1.104 460 I CA 1.068 62.384 61.300 0.028 0.000 1.397 460 I CB -0.151 37.920 38.000 0.118 0.000 1.072 460 I HN 0.235 nan 8.210 nan 0.000 0.417 461 K N 0.000 120.388 120.400 -0.021 0.000 2.780 461 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 461 K CA 0.000 56.245 56.287 -0.071 0.000 0.838 461 K CB 0.000 32.370 32.500 -0.216 0.000 1.064 461 K HN 0.000 nan 8.250 nan 0.000 0.543