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 1t94_1_B DATA FIRST_RESID 75 DATA SEQUENCE TSQQLRKAQL QVDRFAMELE QSRNLSNTIV HIDMDAFYAA VEMRDNPELK DATA SEQUENCE DKPIAVGSMS MLSTSNYHAR RFGVRAAMPG FIAKRLCPQL IIVPPNFDKY DATA SEQUENCE RAVSKEVKEI LADYDPNFMA MSLDEAYLNI TKHLEERQNW PEDKRRYFIK DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXQNSV VFGTSAQEVV KEIRFRIEQK TTLTASAGIA PNTMLAKVCS DATA SEQUENCE DKNKPNGQYQ ILPNRQAVMD FIKDLPIRKV SGIGKVTEKM LKALGIITCT DATA SEQUENCE ELYQQRALLS LLFSETSWHY FLHISLGLGS THLTRXXXRK SMSVERTFSE DATA SEQUENCE INKAEEQYSL CQELCSELAQ DLQKERLKGR TVTIKLKNVN FEVKTRASTX DATA SEQUENCE XSVVSTAEEI FAIAKELLKT EIDADFPHPL RLRLMGVRIS SFP 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 75 T HA 0.000 nan 4.350 nan 0.000 0.228 75 T C 0.000 174.691 174.700 -0.015 0.000 1.109 75 T CA 0.000 62.093 62.100 -0.012 0.000 1.349 75 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 76 S N 0.620 116.312 115.700 -0.013 0.000 2.527 76 S HA 0.094 4.563 4.470 -0.000 0.000 0.222 76 S C 1.762 176.352 174.600 -0.016 0.000 0.985 76 S CA 0.172 58.363 58.200 -0.015 0.000 0.921 76 S CB -0.066 63.127 63.200 -0.012 0.000 0.772 76 S HN 0.377 nan 8.310 nan 0.000 0.529 77 Q N 0.999 120.791 119.800 -0.014 0.000 2.163 77 Q HA 0.055 4.395 4.340 -0.000 0.000 0.198 77 Q C 2.805 178.795 176.000 -0.018 0.000 0.954 77 Q CA 1.729 57.523 55.803 -0.014 0.000 0.851 77 Q CB -1.137 27.595 28.738 -0.010 0.000 0.928 77 Q HN 0.909 nan 8.270 nan 0.000 0.459 78 Q N 0.966 120.755 119.800 -0.019 0.000 2.170 78 Q HA -0.026 4.314 4.340 -0.000 0.000 0.203 78 Q C 2.115 178.094 176.000 -0.034 0.000 0.976 78 Q CA 1.185 56.974 55.803 -0.024 0.000 0.858 78 Q CB -0.743 27.981 28.738 -0.022 0.000 0.907 78 Q HN 0.407 nan 8.270 nan 0.000 0.433 79 L N -0.782 120.420 121.223 -0.034 0.000 2.109 79 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 79 L C 2.939 179.782 176.870 -0.045 0.000 1.086 79 L CA 1.242 56.055 54.840 -0.044 0.000 0.760 79 L CB -0.193 41.844 42.059 -0.037 0.000 0.910 79 L HN 0.407 nan 8.230 nan 0.000 0.437 80 R N 0.477 120.957 120.500 -0.033 0.000 2.090 80 R HA -0.142 4.198 4.340 -0.000 0.000 0.228 80 R C 2.193 178.477 176.300 -0.027 0.000 1.110 80 R CA 1.227 57.310 56.100 -0.029 0.000 0.973 80 R CB 0.097 30.386 30.300 -0.019 0.000 0.869 80 R HN 0.285 nan 8.270 nan 0.000 0.440 81 K N -0.284 120.101 120.400 -0.025 0.000 2.155 81 K HA -0.025 4.295 4.320 -0.000 0.000 0.203 81 K C 2.020 178.602 176.600 -0.031 0.000 1.052 81 K CA 1.107 57.382 56.287 -0.020 0.000 0.948 81 K CB -0.019 32.472 32.500 -0.015 0.000 0.728 81 K HN 0.144 nan 8.250 nan 0.000 0.448 82 A N 1.406 124.194 122.820 -0.053 0.000 1.877 82 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 82 A C 2.152 179.681 177.584 -0.091 0.000 1.186 82 A CA 1.448 53.431 52.037 -0.089 0.000 0.620 82 A CB -0.537 18.390 19.000 -0.122 0.000 0.822 82 A HN 0.318 nan 8.150 nan 0.000 0.443 83 Q N -1.080 118.672 119.800 -0.080 0.000 2.096 83 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 83 Q C 1.993 177.972 176.000 -0.035 0.000 0.982 83 Q CA 1.645 57.403 55.803 -0.076 0.000 0.850 83 Q CB -0.235 28.459 28.738 -0.073 0.000 0.901 83 Q HN 0.520 nan 8.270 nan 0.000 0.422 84 L N 0.805 122.017 121.223 -0.018 0.000 2.012 84 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 84 L C 2.438 179.327 176.870 0.031 0.000 1.073 84 L CA 2.311 57.155 54.840 0.007 0.000 0.748 84 L CB -0.621 41.442 42.059 0.006 0.000 0.891 84 L HN 0.315 nan 8.230 nan 0.000 0.431 85 Q N -1.326 118.491 119.800 0.028 0.000 2.079 85 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 85 Q C 2.035 178.111 176.000 0.126 0.000 0.974 85 Q CA 2.219 58.061 55.803 0.065 0.000 0.840 85 Q CB -0.235 28.529 28.738 0.044 0.000 0.898 85 Q HN 0.386 nan 8.270 nan 0.000 0.430 86 V N 1.243 121.208 119.914 0.085 0.000 2.427 86 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 86 V C 1.648 177.849 176.094 0.179 0.000 1.051 86 V CA 2.003 64.407 62.300 0.173 0.000 1.048 86 V CB -0.595 31.246 31.823 0.029 0.000 0.666 86 V HN 0.428 nan 8.190 nan 0.000 0.456 87 D N -0.310 120.145 120.400 0.093 0.000 2.144 87 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 87 D C 2.285 178.649 176.300 0.106 0.000 0.984 87 D CA 0.995 55.047 54.000 0.086 0.000 0.834 87 D CB -0.285 40.549 40.800 0.056 0.000 0.955 87 D HN 0.286 nan 8.370 nan 0.000 0.465 88 R N -0.171 120.403 120.500 0.124 0.000 2.080 88 R HA -0.181 4.159 4.340 -0.000 0.000 0.236 88 R C 2.260 178.678 176.300 0.197 0.000 1.137 88 R CA 1.068 57.248 56.100 0.132 0.000 0.943 88 R CB -0.596 29.780 30.300 0.126 0.000 0.846 88 R HN 0.137 nan 8.270 nan 0.000 0.431 89 F N 1.259 121.244 119.950 0.060 0.000 2.095 89 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 89 F C 2.179 177.987 175.800 0.013 0.000 1.104 89 F CA 1.330 59.356 58.000 0.044 0.000 1.232 89 F CB -0.965 38.083 39.000 0.080 0.000 0.987 89 F HN 0.133 nan 8.300 nan 0.000 0.475 90 A N -0.138 122.640 122.820 -0.069 0.000 1.978 90 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 90 A C 2.168 179.671 177.584 -0.135 0.000 1.170 90 A CA 1.970 53.893 52.037 -0.191 0.000 0.636 90 A CB -0.880 18.127 19.000 0.011 0.000 0.810 90 A HN 0.457 nan 8.150 nan 0.000 0.448 91 M N -0.665 118.915 119.600 -0.034 0.000 2.394 91 M HA -0.015 4.465 4.480 -0.000 0.000 0.264 91 M C 1.644 177.923 176.300 -0.036 0.000 1.073 91 M CA 1.667 56.955 55.300 -0.020 0.000 1.111 91 M CB -0.393 32.220 32.600 0.022 0.000 1.401 91 M HN 0.487 nan 8.290 nan 0.000 0.448 92 E N -0.107 120.072 120.200 -0.035 0.000 2.046 92 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 92 E C 1.762 178.308 176.600 -0.091 0.000 0.982 92 E CA 1.522 57.917 56.400 -0.009 0.000 0.800 92 E CB -0.404 29.368 29.700 0.120 0.000 0.756 92 E HN 0.567 nan 8.360 nan 0.000 0.449 93 L N 0.750 121.828 121.223 -0.242 0.000 2.083 93 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 93 L C 2.435 179.198 176.870 -0.178 0.000 1.083 93 L CA 1.216 55.890 54.840 -0.276 0.000 0.752 93 L CB -0.530 41.215 42.059 -0.523 0.000 0.899 93 L HN 0.108 nan 8.230 nan 0.000 0.433 94 E N 0.143 120.252 120.200 -0.152 0.000 2.110 94 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 94 E C 2.147 178.707 176.600 -0.067 0.000 0.988 94 E CA 1.207 57.546 56.400 -0.102 0.000 0.804 94 E CB -0.135 29.517 29.700 -0.080 0.000 0.745 94 E HN 0.573 nan 8.360 nan 0.000 0.458 95 Q N 0.530 120.299 119.800 -0.052 0.000 2.119 95 Q HA -0.097 4.243 4.340 -0.000 0.000 0.201 95 Q C 1.697 177.682 176.000 -0.025 0.000 0.972 95 Q CA 1.620 57.406 55.803 -0.028 0.000 0.847 95 Q CB 0.128 28.859 28.738 -0.011 0.000 0.903 95 Q HN 0.187 nan 8.270 nan 0.000 0.433 96 S N -0.539 115.141 115.700 -0.033 0.000 2.597 96 S HA 0.137 4.607 4.470 -0.000 0.000 0.224 96 S C 0.397 174.979 174.600 -0.030 0.000 0.955 96 S CA -0.564 57.624 58.200 -0.021 0.000 0.933 96 S CB 0.057 63.253 63.200 -0.007 0.000 0.788 96 S HN 0.206 nan 8.310 nan 0.000 0.488 97 R N 2.693 123.164 120.500 -0.047 0.000 2.446 97 R HA 0.080 4.420 4.340 -0.000 0.000 0.314 97 R C -0.715 175.568 176.300 -0.028 0.000 1.003 97 R CA -0.005 56.066 56.100 -0.049 0.000 1.018 97 R CB 0.022 30.285 30.300 -0.061 0.000 0.945 97 R HN 0.251 nan 8.270 nan 0.000 0.419 98 N N 5.440 124.129 118.700 -0.018 0.000 2.437 98 N HA 0.117 4.857 4.740 -0.000 0.000 0.259 98 N C -0.240 175.264 175.510 -0.010 0.000 0.983 98 N CA -0.258 52.788 53.050 -0.007 0.000 0.937 98 N CB 1.000 39.492 38.487 0.008 0.000 1.122 98 N HN 0.676 nan 8.380 nan 0.000 0.499 99 L N 2.375 123.592 121.223 -0.011 0.000 3.066 99 L HA 0.136 4.476 4.340 -0.000 0.000 0.265 99 L C 1.568 178.432 176.870 -0.010 0.000 1.232 99 L CA -0.058 54.773 54.840 -0.014 0.000 1.031 99 L CB 0.223 42.269 42.059 -0.021 0.000 1.379 99 L HN 0.488 nan 8.230 nan 0.000 0.563 100 S N -2.038 113.661 115.700 -0.002 0.000 2.527 100 S HA 0.118 4.588 4.470 -0.000 0.000 0.222 100 S C 0.769 175.373 174.600 0.007 0.000 0.985 100 S CA -0.268 57.933 58.200 0.001 0.000 0.921 100 S CB -0.102 63.100 63.200 0.004 0.000 0.772 100 S HN 0.368 nan 8.310 nan 0.000 0.529 101 N N 1.293 120.001 118.700 0.013 0.000 2.489 101 N HA 0.356 5.096 4.740 -0.000 0.000 0.284 101 N C -1.209 174.310 175.510 0.016 0.000 1.158 101 N CA -0.088 52.976 53.050 0.024 0.000 0.965 101 N CB 1.541 40.052 38.487 0.041 0.000 1.195 101 N HN 0.068 nan 8.380 nan 0.000 0.506 102 T N 1.487 116.055 114.554 0.024 0.000 2.809 102 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 102 T C 0.074 174.796 174.700 0.037 0.000 0.992 102 T CA -0.401 61.709 62.100 0.017 0.000 0.957 102 T CB 0.631 69.504 68.868 0.009 0.000 0.942 102 T HN 0.263 nan 8.240 nan 0.000 0.439 103 I N 2.756 123.350 120.570 0.039 0.000 2.530 103 I HA 0.639 4.809 4.170 -0.000 0.000 0.297 103 I C -0.641 175.514 176.117 0.064 0.000 1.011 103 I CA -1.217 60.129 61.300 0.077 0.000 1.107 103 I CB 2.175 40.237 38.000 0.105 0.000 1.285 103 I HN 0.238 nan 8.210 nan 0.000 0.436 104 V N 3.975 123.936 119.914 0.078 0.000 2.588 104 V HA 0.322 4.442 4.120 -0.000 0.000 0.304 104 V C -1.005 175.107 176.094 0.030 0.000 1.042 104 V CA -0.684 61.629 62.300 0.023 0.000 0.877 104 V CB 1.796 33.589 31.823 -0.051 0.000 0.996 104 V HN 0.650 nan 8.190 nan 0.000 0.425 105 H N 5.012 123.999 119.070 -0.139 0.000 2.511 105 H HA 0.707 5.263 4.556 -0.000 0.000 0.328 105 H C -0.552 174.642 175.328 -0.223 0.000 1.044 105 H CA -0.591 55.279 56.048 -0.297 0.000 1.212 105 H CB 1.244 30.786 29.762 -0.366 0.000 1.428 105 H HN 0.708 nan 8.280 nan 0.000 0.483 106 I N 1.849 122.041 120.570 -0.630 0.000 2.441 106 I HA 0.495 4.665 4.170 -0.000 0.000 0.295 106 I C -1.042 174.741 176.117 -0.557 0.000 0.994 106 I CA -0.893 60.135 61.300 -0.455 0.000 1.144 106 I CB 1.969 39.772 38.000 -0.328 0.000 1.314 106 I HN 0.474 nan 8.210 nan 0.000 0.445 107 D N 7.353 127.546 120.400 -0.346 0.000 2.476 107 D HA 0.328 4.968 4.640 -0.000 0.000 0.251 107 D C -0.497 175.710 176.300 -0.155 0.000 1.291 107 D CA -0.503 53.344 54.000 -0.254 0.000 0.939 107 D CB 1.340 42.059 40.800 -0.135 0.000 1.221 107 D HN 0.412 nan 8.370 nan 0.000 0.567 108 M N 2.047 121.532 119.600 -0.191 0.000 2.251 108 M HA 0.106 4.586 4.480 -0.000 0.000 0.343 108 M C -0.150 176.161 176.300 0.018 0.000 1.245 108 M CA 0.263 55.499 55.300 -0.106 0.000 1.061 108 M CB 0.137 32.606 32.600 -0.218 0.000 1.723 108 M HN 0.340 nan 8.290 nan 0.000 0.449 109 D N 3.341 123.792 120.400 0.084 0.000 2.346 109 D HA 0.268 4.908 4.640 -0.000 0.000 0.260 109 D C 0.703 177.116 176.300 0.188 0.000 1.252 109 D CA 0.338 54.437 54.000 0.166 0.000 0.895 109 D CB 0.464 41.373 40.800 0.182 0.000 1.097 109 D HN 0.746 nan 8.370 nan 0.000 0.489 110 A N 3.192 126.101 122.820 0.148 0.000 2.550 110 A HA -0.317 4.003 4.320 -0.000 0.000 0.298 110 A C 1.393 179.044 177.584 0.112 0.000 1.485 110 A CA 0.411 52.495 52.037 0.079 0.000 0.780 110 A CB -2.153 16.836 19.000 -0.018 0.000 1.045 110 A HN 0.575 nan 8.150 nan 0.000 0.423 111 F N -0.508 119.398 119.950 -0.074 0.000 2.064 111 F HA -0.362 4.165 4.527 -0.000 0.000 0.292 111 F C 1.927 177.574 175.800 -0.255 0.000 1.107 111 F CA 2.983 60.865 58.000 -0.196 0.000 1.243 111 F CB -0.910 37.883 39.000 -0.346 0.000 0.949 111 F HN 0.556 nan 8.300 nan 0.000 0.506 112 Y N -0.271 119.812 120.300 -0.361 0.000 2.070 112 Y HA -0.218 4.332 4.550 -0.000 0.000 0.280 112 Y C 2.685 178.398 175.900 -0.313 0.000 1.148 112 Y CA 1.783 59.506 58.100 -0.629 0.000 1.125 112 Y CB -1.403 36.682 38.460 -0.626 0.000 0.975 112 Y HN 0.171 nan 8.280 nan 0.000 0.492 113 A N 0.082 122.898 122.820 -0.006 0.000 1.940 113 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 113 A C 2.395 179.964 177.584 -0.024 0.000 1.176 113 A CA 1.823 53.853 52.037 -0.011 0.000 0.631 113 A CB -1.260 17.735 19.000 -0.010 0.000 0.814 113 A HN 0.456 nan 8.150 nan 0.000 0.446 114 A N -0.077 122.718 122.820 -0.041 0.000 1.930 114 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 114 A C 2.335 179.874 177.584 -0.075 0.000 1.175 114 A CA 2.060 54.080 52.037 -0.029 0.000 0.627 114 A CB -1.155 17.850 19.000 0.009 0.000 0.815 114 A HN 1.198 nan 8.150 nan 0.000 0.443 115 V N -2.491 117.324 119.914 -0.164 0.000 2.548 115 V HA -0.121 3.999 4.120 -0.000 0.000 0.249 115 V C 1.913 177.979 176.094 -0.046 0.000 1.055 115 V CA 2.171 64.390 62.300 -0.136 0.000 1.065 115 V CB -0.734 30.969 31.823 -0.199 0.000 0.681 115 V HN 0.390 nan 8.190 nan 0.000 0.462 116 E N 0.542 120.737 120.200 -0.008 0.000 2.106 116 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 116 E C 2.149 178.737 176.600 -0.020 0.000 0.984 116 E CA 1.912 58.311 56.400 -0.001 0.000 0.806 116 E CB -0.434 29.276 29.700 0.016 0.000 0.750 116 E HN 0.676 nan 8.360 nan 0.000 0.458 117 M N -0.110 119.477 119.600 -0.022 0.000 2.229 117 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 117 M C 2.397 178.683 176.300 -0.022 0.000 1.063 117 M CA 1.060 56.347 55.300 -0.022 0.000 1.114 117 M CB -0.135 32.458 32.600 -0.012 0.000 1.387 117 M HN -0.030 nan 8.290 nan 0.000 0.420 118 R N 0.871 121.355 120.500 -0.027 0.000 2.070 118 R HA -0.175 4.165 4.340 -0.000 0.000 0.232 118 R C 1.552 177.834 176.300 -0.029 0.000 1.138 118 R CA 2.110 58.193 56.100 -0.028 0.000 0.936 118 R CB -0.303 29.974 30.300 -0.038 0.000 0.839 118 R HN 0.315 nan 8.270 nan 0.000 0.429 119 D N 0.441 120.820 120.400 -0.034 0.000 2.117 119 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 119 D C 0.168 176.450 176.300 -0.029 0.000 0.987 119 D CA 1.078 55.057 54.000 -0.035 0.000 0.829 119 D CB -0.159 40.614 40.800 -0.044 0.000 0.961 119 D HN 0.279 nan 8.370 nan 0.000 0.460 120 N N 1.064 119.747 118.700 -0.028 0.000 3.112 120 N HA 0.138 4.878 4.740 -0.000 0.000 0.270 120 N C -2.075 173.420 175.510 -0.025 0.000 1.385 120 N CA -1.138 51.897 53.050 -0.026 0.000 0.986 120 N CB 1.825 40.296 38.487 -0.027 0.000 1.261 120 N HN -0.054 nan 8.380 nan 0.000 0.495 121 P HA -0.181 nan 4.420 nan 0.000 0.218 121 P C 0.759 178.045 177.300 -0.023 0.000 1.147 121 P CA 1.359 64.448 63.100 -0.019 0.000 0.827 121 P CB 0.405 32.096 31.700 -0.014 0.000 0.778 122 E N -1.145 119.041 120.200 -0.024 0.000 2.333 122 E HA -0.095 4.255 4.350 -0.000 0.000 0.198 122 E C 1.533 178.109 176.600 -0.040 0.000 1.007 122 E CA 0.741 57.124 56.400 -0.027 0.000 0.845 122 E CB -0.759 28.927 29.700 -0.024 0.000 0.766 122 E HN 0.333 nan 8.360 nan 0.000 0.507 123 L N 0.126 121.322 121.223 -0.045 0.000 2.567 123 L HA 0.069 4.409 4.340 -0.000 0.000 0.225 123 L C 1.740 178.554 176.870 -0.093 0.000 1.119 123 L CA -0.002 54.799 54.840 -0.065 0.000 0.871 123 L CB -0.088 41.939 42.059 -0.053 0.000 1.036 123 L HN -0.028 nan 8.230 nan 0.000 0.459 124 K N 1.162 121.522 120.400 -0.067 0.000 2.034 124 K HA -0.211 4.109 4.320 -0.000 0.000 0.214 124 K C 1.108 177.626 176.600 -0.137 0.000 1.051 124 K CA 1.866 58.117 56.287 -0.060 0.000 0.931 124 K CB -0.488 32.001 32.500 -0.018 0.000 0.715 124 K HN 0.480 nan 8.250 nan 0.000 0.446 125 D N 0.555 120.870 120.400 -0.141 0.000 2.460 125 D HA 0.054 4.694 4.640 -0.000 0.000 0.229 125 D C -0.195 175.902 176.300 -0.338 0.000 1.170 125 D CA -0.016 53.872 54.000 -0.187 0.000 0.827 125 D CB 0.135 40.934 40.800 -0.002 0.000 0.973 125 D HN 0.043 nan 8.370 nan 0.000 0.496 126 K N 0.425 120.569 120.400 -0.426 0.000 2.395 126 K HA 0.489 4.809 4.320 -0.000 0.000 0.247 126 K C -2.981 173.456 176.600 -0.272 0.000 0.973 126 K CA -2.201 53.925 56.287 -0.267 0.000 0.828 126 K CB 2.222 34.646 32.500 -0.128 0.000 1.272 126 K HN -0.186 nan 8.250 nan 0.000 0.439 127 P HA 0.186 nan 4.420 nan 0.000 0.281 127 P C -0.885 176.390 177.300 -0.042 0.000 1.286 127 P CA -0.174 62.934 63.100 0.014 0.000 0.772 127 P CB 0.124 31.815 31.700 -0.015 0.000 0.862 128 I N 0.233 120.788 120.570 -0.026 0.000 3.042 128 I HA 0.967 5.137 4.170 -0.000 0.000 0.310 128 I C -1.412 174.686 176.117 -0.031 0.000 1.117 128 I CA -1.472 59.805 61.300 -0.038 0.000 1.003 128 I CB 2.710 40.685 38.000 -0.042 0.000 1.228 128 I HN 0.260 nan 8.210 nan 0.000 0.443 129 A N 3.497 126.293 122.820 -0.039 0.000 2.520 129 A HA 0.738 5.058 4.320 -0.000 0.000 0.298 129 A C -1.385 176.168 177.584 -0.052 0.000 1.051 129 A CA -0.591 51.417 52.037 -0.047 0.000 0.690 129 A CB 1.795 20.765 19.000 -0.050 0.000 1.281 129 A HN 0.564 nan 8.150 nan 0.000 0.402 130 V N 1.888 121.758 119.914 -0.074 0.000 2.394 130 V HA 0.826 4.946 4.120 -0.000 0.000 0.282 130 V C 0.909 176.925 176.094 -0.131 0.000 1.031 130 V CA 0.993 63.235 62.300 -0.096 0.000 0.881 130 V CB 0.513 32.256 31.823 -0.133 0.000 0.982 130 V HN 2.041 nan 8.190 nan 0.000 0.451 131 G N 4.038 112.782 108.800 -0.094 0.000 2.384 131 G HA2 0.353 4.313 3.960 -0.000 0.000 0.113 131 G HA3 0.353 4.313 3.960 -0.000 0.000 0.113 131 G C -0.446 174.439 174.900 -0.025 0.000 1.224 131 G CA 0.231 45.287 45.100 -0.074 0.000 1.126 131 G HN 1.376 nan 8.290 nan 0.000 0.461 132 S N -1.867 113.830 115.700 -0.005 0.000 2.688 132 S HA 0.557 5.027 4.470 -0.000 0.000 0.275 132 S C 0.833 175.460 174.600 0.045 0.000 1.175 132 S CA 0.496 58.708 58.200 0.020 0.000 0.818 132 S CB 1.504 64.723 63.200 0.032 0.000 1.157 132 S HN 1.323 nan 8.310 nan 0.000 0.482 133 M N 1.358 120.997 119.600 0.065 0.000 2.539 133 M HA 0.170 4.650 4.480 -0.000 0.000 0.261 133 M C 1.677 178.115 176.300 0.229 0.000 1.069 133 M CA 2.130 57.503 55.300 0.122 0.000 1.081 133 M CB -1.349 31.301 32.600 0.084 0.000 1.412 133 M HN 0.938 nan 8.290 nan 0.000 0.482 134 S N -1.388 114.407 115.700 0.158 0.000 2.523 134 S HA 0.472 4.942 4.470 -0.000 0.000 0.217 134 S C 0.700 175.364 174.600 0.107 0.000 0.996 134 S CA -0.125 58.191 58.200 0.193 0.000 0.921 134 S CB 0.214 63.490 63.200 0.127 0.000 0.829 134 S HN 0.435 nan 8.310 nan 0.000 0.495 135 M N 1.458 121.086 119.600 0.046 0.000 2.394 135 M HA 0.269 4.749 4.480 -0.000 0.000 0.267 135 M C -2.112 174.170 176.300 -0.030 0.000 0.992 135 M CA -0.194 55.103 55.300 -0.005 0.000 0.858 135 M CB 1.685 34.289 32.600 0.006 0.000 2.027 135 M HN 0.129 nan 8.290 nan 0.000 0.508 136 L N 1.133 122.322 121.223 -0.057 0.000 2.352 136 L HA 0.663 5.003 4.340 -0.000 0.000 0.269 136 L C 1.041 177.853 176.870 -0.097 0.000 1.034 136 L CA -0.287 54.507 54.840 -0.078 0.000 0.806 136 L CB 1.734 43.748 42.059 -0.076 0.000 1.244 136 L HN 0.906 nan 8.230 nan 0.000 0.447 137 S N -1.787 113.824 115.700 -0.148 0.000 2.599 137 S HA 0.256 4.726 4.470 -0.000 0.000 0.236 137 S C 0.552 175.079 174.600 -0.122 0.000 1.077 137 S CA -0.052 58.042 58.200 -0.177 0.000 0.906 137 S CB 0.687 63.657 63.200 -0.384 0.000 0.804 137 S HN 0.679 nan 8.310 nan 0.000 0.497 138 T N 1.749 116.232 114.554 -0.119 0.000 2.853 138 T HA 0.693 5.043 4.350 -0.000 0.000 0.311 138 T C -1.569 173.090 174.700 -0.069 0.000 1.307 138 T CA -0.529 61.536 62.100 -0.057 0.000 1.019 138 T CB 2.006 70.893 68.868 0.032 0.000 1.264 138 T HN 0.501 nan 8.240 nan 0.000 0.497 139 S N 1.163 116.813 115.700 -0.084 0.000 2.540 139 S HA 0.669 5.139 4.470 -0.000 0.000 0.275 139 S C -0.524 174.000 174.600 -0.126 0.000 1.123 139 S CA -1.221 56.930 58.200 -0.081 0.000 0.907 139 S CB 1.051 64.211 63.200 -0.067 0.000 1.081 139 S HN 0.819 nan 8.310 nan 0.000 0.476 140 N N 0.659 119.324 118.700 -0.058 0.000 2.288 140 N HA 0.146 4.886 4.740 -0.000 0.000 0.237 140 N C 0.274 175.742 175.510 -0.069 0.000 1.311 140 N CA -0.434 52.598 53.050 -0.030 0.000 0.909 140 N CB -0.367 38.178 38.487 0.096 0.000 1.167 140 N HN 0.648 nan 8.380 nan 0.000 0.476 141 Y N -1.481 118.902 120.300 0.139 0.000 2.403 141 Y HA -0.129 4.421 4.550 -0.000 0.000 0.291 141 Y C 1.933 177.898 175.900 0.108 0.000 1.143 141 Y CA 1.424 59.580 58.100 0.093 0.000 1.257 141 Y CB -0.460 38.022 38.460 0.036 0.000 0.984 141 Y HN 0.625 nan 8.280 nan 0.000 0.550 142 H N -0.819 118.360 119.070 0.182 0.000 2.270 142 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 142 H C 2.344 177.845 175.328 0.289 0.000 1.077 142 H CA 1.494 57.666 56.048 0.206 0.000 1.294 142 H CB -0.679 29.194 29.762 0.185 0.000 1.371 142 H HN 0.294 nan 8.280 nan 0.000 0.491 143 A N 1.024 124.045 122.820 0.336 0.000 1.986 143 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 143 A C 2.197 179.938 177.584 0.262 0.000 1.171 143 A CA 1.895 54.084 52.037 0.253 0.000 0.640 143 A CB -0.399 18.651 19.000 0.082 0.000 0.811 143 A HN 0.394 nan 8.150 nan 0.000 0.451 144 R N -1.492 119.098 120.500 0.150 0.000 2.153 144 R HA -0.029 4.311 4.340 -0.000 0.000 0.218 144 R C 2.489 178.831 176.300 0.071 0.000 1.072 144 R CA 0.924 57.072 56.100 0.079 0.000 0.990 144 R CB -0.321 29.976 30.300 -0.006 0.000 0.889 144 R HN 0.530 nan 8.270 nan 0.000 0.452 145 R N 0.737 121.259 120.500 0.038 0.000 2.293 145 R HA -0.098 4.242 4.340 -0.000 0.000 0.219 145 R C 1.341 177.419 176.300 -0.369 0.000 1.091 145 R CA 1.361 57.343 56.100 -0.197 0.000 1.004 145 R CB -1.144 28.951 30.300 -0.342 0.000 0.865 145 R HN 0.229 nan 8.270 nan 0.000 0.469 146 F N -1.672 118.286 119.950 0.014 0.000 2.704 146 F HA 0.417 4.944 4.527 -0.000 0.000 0.304 146 F C 1.829 177.627 175.800 -0.003 0.000 1.094 146 F CA 0.218 58.223 58.000 0.008 0.000 1.275 146 F CB 1.010 40.017 39.000 0.012 0.000 1.073 146 F HN 0.338 nan 8.300 nan 0.000 0.586 147 G N 0.645 109.528 108.800 0.138 0.000 2.134 147 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.209 147 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.209 147 G C -0.136 174.797 174.900 0.054 0.000 0.993 147 G CA -0.136 45.007 45.100 0.072 0.000 0.669 147 G HN 0.078 nan 8.290 nan 0.000 0.519 148 V N 3.020 122.978 119.914 0.074 0.000 2.397 148 V HA 0.376 4.496 4.120 -0.000 0.000 0.262 148 V C 0.896 176.983 176.094 -0.012 0.000 1.047 148 V CA -0.196 62.116 62.300 0.021 0.000 1.003 148 V CB 0.319 32.157 31.823 0.025 0.000 1.037 148 V HN 0.351 nan 8.190 nan 0.000 0.480 149 R N 3.246 123.728 120.500 -0.030 0.000 2.691 149 R HA 0.741 5.081 4.340 -0.000 0.000 0.259 149 R C 0.139 176.409 176.300 -0.050 0.000 1.048 149 R CA -0.701 55.376 56.100 -0.039 0.000 1.086 149 R CB 1.254 31.535 30.300 -0.032 0.000 1.166 149 R HN 0.635 nan 8.270 nan 0.000 0.526 150 A N 0.570 123.363 122.820 -0.045 0.000 2.440 150 A HA 0.449 4.769 4.320 -0.000 0.000 0.251 150 A C 0.452 178.012 177.584 -0.041 0.000 1.089 150 A CA 0.508 52.519 52.037 -0.044 0.000 0.779 150 A CB -0.097 18.887 19.000 -0.027 0.000 1.022 150 A HN 1.044 nan 8.150 nan 0.000 0.492 151 A N 1.444 124.236 122.820 -0.048 0.000 2.815 151 A HA -0.035 4.285 4.320 -0.000 0.000 0.292 151 A C -0.041 177.504 177.584 -0.065 0.000 1.457 151 A CA 1.278 53.288 52.037 -0.045 0.000 0.735 151 A CB -2.172 16.812 19.000 -0.026 0.000 1.056 151 A HN 2.189 nan 8.150 nan 0.000 0.474 152 M N 0.593 120.139 119.600 -0.090 0.000 2.284 152 M HA 0.531 5.011 4.480 -0.000 0.000 0.281 152 M C -2.949 173.244 176.300 -0.178 0.000 1.083 152 M CA -1.730 53.485 55.300 -0.142 0.000 0.965 152 M CB 2.400 34.924 32.600 -0.127 0.000 1.717 152 M HN 0.171 nan 8.290 nan 0.000 0.479 153 P HA 0.127 nan 4.420 nan 0.000 0.269 153 P C 0.435 177.604 177.300 -0.218 0.000 1.215 153 P CA 0.243 63.182 63.100 -0.268 0.000 0.780 153 P CB 0.652 32.039 31.700 -0.523 0.000 0.898 154 G N 1.499 110.271 108.800 -0.046 0.000 2.559 154 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 154 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 154 G C 1.058 175.994 174.900 0.060 0.000 1.126 154 G CA 0.202 45.298 45.100 -0.007 0.000 0.778 154 G HN 0.590 nan 8.290 nan 0.000 0.543 155 F N 0.145 120.084 119.950 -0.019 0.000 2.074 155 F HA 0.216 4.743 4.527 -0.000 0.000 0.293 155 F C 2.207 177.999 175.800 -0.013 0.000 1.116 155 F CA 0.525 58.515 58.000 -0.016 0.000 1.212 155 F CB -0.470 38.523 39.000 -0.012 0.000 0.998 155 F HN 0.035 nan 8.300 nan 0.000 0.471 156 I N 0.948 121.422 120.570 -0.159 0.000 2.676 156 I HA -0.125 4.045 4.170 -0.000 0.000 0.259 156 I C 2.657 178.738 176.117 -0.061 0.000 1.194 156 I CA 1.040 62.297 61.300 -0.072 0.000 1.473 156 I CB -0.735 37.157 38.000 -0.180 0.000 1.096 156 I HN 0.404 nan 8.210 nan 0.000 0.443 157 A N 0.563 123.324 122.820 -0.099 0.000 1.929 157 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 157 A C 2.267 179.828 177.584 -0.039 0.000 1.176 157 A CA 1.216 53.216 52.037 -0.063 0.000 0.628 157 A CB -0.296 18.656 19.000 -0.079 0.000 0.816 157 A HN 0.256 nan 8.150 nan 0.000 0.444 158 K N -0.670 119.722 120.400 -0.014 0.000 2.486 158 K HA 0.039 4.359 4.320 -0.000 0.000 0.194 158 K C 1.955 178.546 176.600 -0.014 0.000 1.033 158 K CA 0.626 56.900 56.287 -0.021 0.000 1.004 158 K CB -0.063 32.443 32.500 0.010 0.000 0.798 158 K HN 0.425 nan 8.250 nan 0.000 0.495 159 R N -0.202 120.304 120.500 0.009 0.000 2.223 159 R HA 0.125 4.465 4.340 -0.000 0.000 0.198 159 R C 1.499 177.806 176.300 0.011 0.000 0.984 159 R CA 0.425 56.536 56.100 0.018 0.000 1.018 159 R CB 0.206 30.532 30.300 0.043 0.000 0.945 159 R HN 0.167 nan 8.270 nan 0.000 0.479 160 L N -1.024 120.203 121.223 0.006 0.000 2.375 160 L HA 0.109 4.449 4.340 -0.000 0.000 0.215 160 L C 0.517 177.384 176.870 -0.004 0.000 1.108 160 L CA 0.019 54.884 54.840 0.041 0.000 0.830 160 L CB 0.656 42.750 42.059 0.059 0.000 0.959 160 L HN 0.181 nan 8.230 nan 0.000 0.457 161 C N 0.208 119.433 119.300 -0.126 0.000 3.233 161 C HA 0.348 4.808 4.460 -0.000 0.000 0.299 161 C C -1.729 173.126 174.990 -0.224 0.000 1.060 161 C CA -1.132 57.674 59.018 -0.354 0.000 1.382 161 C CB 0.541 27.953 27.740 -0.548 0.000 1.828 161 C HN 0.033 nan 8.230 nan 0.000 0.530 162 P HA -0.130 nan 4.420 nan 0.000 0.222 162 P C 1.467 178.702 177.300 -0.107 0.000 1.147 162 P CA 1.219 64.262 63.100 -0.095 0.000 0.790 162 P CB 0.073 31.738 31.700 -0.058 0.000 0.780 163 Q N -0.654 119.050 119.800 -0.160 0.000 2.403 163 Q HA 0.039 4.379 4.340 -0.000 0.000 0.203 163 Q C 0.519 176.436 176.000 -0.139 0.000 0.932 163 Q CA 0.051 55.774 55.803 -0.134 0.000 0.945 163 Q CB -0.840 27.817 28.738 -0.133 0.000 1.045 163 Q HN 0.234 nan 8.270 nan 0.000 0.511 164 L N 1.904 123.030 121.223 -0.161 0.000 2.462 164 L HA 0.190 4.530 4.340 -0.000 0.000 0.272 164 L C -0.455 176.368 176.870 -0.078 0.000 1.166 164 L CA 0.119 54.882 54.840 -0.128 0.000 0.880 164 L CB 0.275 42.259 42.059 -0.125 0.000 1.142 164 L HN 0.090 nan 8.230 nan 0.000 0.473 165 I N 6.881 127.411 120.570 -0.067 0.000 2.315 165 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 165 I C -0.205 175.887 176.117 -0.041 0.000 1.006 165 I CA -0.131 61.140 61.300 -0.049 0.000 1.265 165 I CB 0.744 38.715 38.000 -0.047 0.000 1.387 165 I HN 0.508 nan 8.210 nan 0.000 0.475 166 I N 7.604 128.155 120.570 -0.032 0.000 2.337 166 I HA 0.218 4.388 4.170 -0.000 0.000 0.285 166 I C -0.263 175.841 176.117 -0.022 0.000 1.041 166 I CA -0.583 60.700 61.300 -0.027 0.000 1.199 166 I CB 1.041 39.031 38.000 -0.018 0.000 1.370 166 I HN 0.210 nan 8.210 nan 0.000 0.470 167 V N 8.984 128.883 119.914 -0.024 0.000 2.498 167 V HA 0.244 4.364 4.120 -0.000 0.000 0.279 167 V C -1.825 174.260 176.094 -0.015 0.000 1.048 167 V CA -1.509 60.781 62.300 -0.016 0.000 0.967 167 V CB 1.058 32.874 31.823 -0.011 0.000 0.988 167 V HN 0.551 nan 8.190 nan 0.000 0.473 168 P HA 0.271 nan 4.420 nan 0.000 0.276 168 P C -2.759 174.538 177.300 -0.005 0.000 1.230 168 P CA -1.774 61.324 63.100 -0.005 0.000 0.776 168 P CB 0.283 31.987 31.700 0.006 0.000 0.888 169 P HA 0.082 nan 4.420 nan 0.000 0.265 169 P C -0.300 176.957 177.300 -0.071 0.000 1.193 169 P CA 0.266 63.335 63.100 -0.052 0.000 0.765 169 P CB -0.020 31.520 31.700 -0.266 0.000 0.823 170 N N 2.076 120.628 118.700 -0.248 0.000 2.790 170 N HA 0.197 4.937 4.740 -0.000 0.000 0.256 170 N C 0.065 175.169 175.510 -0.677 0.000 1.409 170 N CA -0.551 52.307 53.050 -0.319 0.000 0.799 170 N CB 0.229 38.544 38.487 -0.286 0.000 1.170 170 N HN 0.090 nan 8.380 nan 0.000 0.507 171 F N 0.912 120.785 119.950 -0.127 0.000 2.225 171 F HA -0.221 4.306 4.527 -0.000 0.000 0.302 171 F C 1.930 177.695 175.800 -0.060 0.000 1.068 171 F CA 1.108 59.182 58.000 0.124 0.000 1.327 171 F CB -0.174 38.983 39.000 0.261 0.000 1.043 171 F HN 0.366 nan 8.300 nan 0.000 0.506 172 D N 0.276 120.706 120.400 0.049 0.000 2.123 172 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 172 D C 2.212 178.465 176.300 -0.078 0.000 0.992 172 D CA 1.307 55.313 54.000 0.010 0.000 0.833 172 D CB -0.312 40.482 40.800 -0.010 0.000 0.954 172 D HN 0.126 nan 8.370 nan 0.000 0.455 173 K N 0.273 120.507 120.400 -0.277 0.000 2.211 173 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 173 K C 1.946 178.437 176.600 -0.182 0.000 1.050 173 K CA 0.972 57.092 56.287 -0.279 0.000 0.945 173 K CB -0.487 31.776 32.500 -0.395 0.000 0.732 173 K HN 0.358 nan 8.250 nan 0.000 0.451 174 Y N -0.229 120.056 120.300 -0.024 0.000 2.153 174 Y HA -0.065 4.485 4.550 -0.000 0.000 0.289 174 Y C 2.304 178.277 175.900 0.121 0.000 1.127 174 Y CA 0.814 58.879 58.100 -0.057 0.000 1.131 174 Y CB -0.126 38.316 38.460 -0.029 0.000 0.995 174 Y HN -0.076 nan 8.280 nan 0.000 0.505 175 R N 0.465 121.150 120.500 0.308 0.000 2.117 175 R HA -0.214 4.126 4.340 -0.000 0.000 0.243 175 R C 2.524 178.923 176.300 0.166 0.000 1.143 175 R CA 1.186 57.426 56.100 0.233 0.000 0.968 175 R CB -0.615 29.799 30.300 0.191 0.000 0.863 175 R HN 0.365 nan 8.270 nan 0.000 0.444 176 A N 0.492 123.380 122.820 0.114 0.000 1.883 176 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 176 A C 2.351 179.987 177.584 0.087 0.000 1.186 176 A CA 1.654 53.733 52.037 0.071 0.000 0.624 176 A CB -0.574 18.439 19.000 0.022 0.000 0.822 176 A HN 0.139 nan 8.150 nan 0.000 0.444 177 V N -0.687 119.295 119.914 0.115 0.000 2.323 177 V HA -0.177 3.943 4.120 -0.000 0.000 0.244 177 V C 2.779 179.011 176.094 0.229 0.000 1.041 177 V CA 2.181 64.567 62.300 0.143 0.000 1.025 177 V CB -0.714 31.173 31.823 0.105 0.000 0.656 177 V HN 0.654 nan 8.190 nan 0.000 0.451 178 S N -0.458 115.448 115.700 0.343 0.000 2.383 178 S HA -0.309 4.160 4.470 -0.000 0.000 0.229 178 S C 2.144 176.806 174.600 0.104 0.000 1.030 178 S CA 2.257 60.581 58.200 0.206 0.000 1.002 178 S CB -0.329 62.982 63.200 0.185 0.000 0.829 178 S HN 0.600 nan 8.310 nan 0.000 0.467 179 K N 0.434 120.903 120.400 0.114 0.000 2.097 179 K HA -0.110 4.209 4.320 -0.000 0.000 0.206 179 K C 1.999 178.633 176.600 0.057 0.000 1.049 179 K CA 1.615 57.955 56.287 0.087 0.000 0.933 179 K CB -0.161 32.388 32.500 0.081 0.000 0.717 179 K HN 0.506 nan 8.250 nan 0.000 0.442 180 E N -0.043 120.187 120.200 0.049 0.000 2.106 180 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 180 E C 1.964 178.560 176.600 -0.007 0.000 0.984 180 E CA 1.187 57.598 56.400 0.019 0.000 0.806 180 E CB 0.135 29.846 29.700 0.019 0.000 0.750 180 E HN 0.106 nan 8.360 nan 0.000 0.458 181 V N 1.792 121.701 119.914 -0.008 0.000 2.307 181 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 181 V C 2.110 178.125 176.094 -0.132 0.000 1.045 181 V CA 1.703 63.958 62.300 -0.075 0.000 1.024 181 V CB -0.403 31.360 31.823 -0.100 0.000 0.651 181 V HN 0.191 nan 8.190 nan 0.000 0.449 182 K N 0.048 120.399 120.400 -0.082 0.000 2.032 182 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 182 K C 2.125 178.682 176.600 -0.071 0.000 1.048 182 K CA 1.875 58.108 56.287 -0.090 0.000 0.927 182 K CB -0.304 32.317 32.500 0.202 0.000 0.712 182 K HN 0.554 nan 8.250 nan 0.000 0.441 183 E N 0.746 120.948 120.200 0.004 0.000 2.114 183 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 183 E C 2.048 178.637 176.600 -0.018 0.000 1.008 183 E CA 1.324 57.733 56.400 0.014 0.000 0.810 183 E CB -0.213 29.487 29.700 0.000 0.000 0.739 183 E HN 0.331 nan 8.360 nan 0.000 0.456 184 I N 0.714 121.254 120.570 -0.050 0.000 2.233 184 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 184 I C 2.304 178.425 176.117 0.006 0.000 1.093 184 I CA 0.780 62.072 61.300 -0.013 0.000 1.380 184 I CB -0.201 37.784 38.000 -0.025 0.000 1.067 184 I HN 0.102 nan 8.210 nan 0.000 0.413 185 L N 0.779 121.889 121.223 -0.189 0.000 2.079 185 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 185 L C 2.792 179.558 176.870 -0.174 0.000 1.081 185 L CA 1.332 55.986 54.840 -0.310 0.000 0.752 185 L CB -0.876 40.628 42.059 -0.925 0.000 0.896 185 L HN 0.242 nan 8.230 nan 0.000 0.433 186 A N -0.534 122.212 122.820 -0.123 0.000 2.125 186 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 186 A C 1.839 179.462 177.584 0.065 0.000 1.156 186 A CA 1.613 53.752 52.037 0.171 0.000 0.671 186 A CB -0.415 18.755 19.000 0.283 0.000 0.794 186 A HN 0.342 nan 8.150 nan 0.000 0.459 187 D N -1.611 118.756 120.400 -0.056 0.000 2.224 187 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 187 D C 1.176 177.226 176.300 -0.417 0.000 0.965 187 D CA 1.183 55.044 54.000 -0.232 0.000 0.852 187 D CB -0.118 40.450 40.800 -0.388 0.000 0.947 187 D HN 0.680 nan 8.370 nan 0.000 0.494 188 Y N -0.347 119.915 120.300 -0.064 0.000 2.503 188 Y HA 0.132 4.682 4.550 -0.000 0.000 0.277 188 Y C 0.392 176.280 175.900 -0.019 0.000 1.102 188 Y CA 0.011 58.007 58.100 -0.173 0.000 1.261 188 Y CB 0.790 39.056 38.460 -0.323 0.000 1.096 188 Y HN -0.229 nan 8.280 nan 0.000 0.546 189 D N -1.020 119.484 120.400 0.173 0.000 2.351 189 D HA 0.214 4.854 4.640 -0.000 0.000 0.235 189 D C -2.614 173.856 176.300 0.282 0.000 1.331 189 D CA -2.098 52.028 54.000 0.209 0.000 0.959 189 D CB 1.374 42.311 40.800 0.228 0.000 1.432 189 D HN -0.180 nan 8.370 nan 0.000 0.544 190 P HA -0.055 nan 4.420 nan 0.000 0.220 190 P C 0.438 177.827 177.300 0.147 0.000 1.144 190 P CA 0.815 64.026 63.100 0.185 0.000 0.800 190 P CB 0.246 32.007 31.700 0.102 0.000 0.772 191 N N -0.624 118.151 118.700 0.126 0.000 2.279 191 N HA 0.075 4.815 4.740 -0.000 0.000 0.226 191 N C 0.305 175.819 175.510 0.006 0.000 1.126 191 N CA -0.249 52.818 53.050 0.029 0.000 0.846 191 N CB -0.311 38.204 38.487 0.046 0.000 1.050 191 N HN 0.253 nan 8.380 nan 0.000 0.502 192 F N 0.564 120.556 119.950 0.069 0.000 2.586 192 F HA 0.243 4.770 4.527 -0.000 0.000 0.344 192 F C 0.365 176.213 175.800 0.080 0.000 1.188 192 F CA -0.517 57.531 58.000 0.080 0.000 1.359 192 F CB 0.417 39.459 39.000 0.069 0.000 1.129 192 F HN -0.228 nan 8.300 nan 0.000 0.609 193 M N 3.390 123.059 119.600 0.114 0.000 2.125 193 M HA 0.483 4.963 4.480 -0.000 0.000 0.321 193 M C -0.655 175.780 176.300 0.226 0.000 0.983 193 M CA -0.772 54.539 55.300 0.019 0.000 0.934 193 M CB 1.673 34.319 32.600 0.076 0.000 1.542 193 M HN 0.890 nan 8.290 nan 0.000 0.424 194 A N 4.860 127.751 122.820 0.117 0.000 2.310 194 A HA 0.381 4.701 4.320 -0.000 0.000 0.300 194 A C 0.843 178.510 177.584 0.139 0.000 1.269 194 A CA -0.504 51.665 52.037 0.220 0.000 0.909 194 A CB 0.313 19.447 19.000 0.223 0.000 1.144 194 A HN 0.917 nan 8.150 nan 0.000 0.540 195 M N 1.603 121.298 119.600 0.158 0.000 2.349 195 M HA 0.043 4.523 4.480 -0.000 0.000 0.266 195 M C 0.991 177.349 176.300 0.097 0.000 1.076 195 M CA 1.204 56.594 55.300 0.149 0.000 1.126 195 M CB -1.533 31.196 32.600 0.215 0.000 1.392 195 M HN 0.970 nan 8.290 nan 0.000 0.440 196 S N -1.670 114.068 115.700 0.062 0.000 2.694 196 S HA 0.426 4.896 4.470 -0.000 0.000 0.273 196 S C 0.293 174.889 174.600 -0.007 0.000 1.180 196 S CA -0.863 57.366 58.200 0.048 0.000 0.864 196 S CB 0.605 63.836 63.200 0.052 0.000 1.198 196 S HN 0.166 nan 8.310 nan 0.000 0.499 197 L N 1.306 122.523 121.223 -0.011 0.000 2.551 197 L HA 0.127 4.467 4.340 -0.000 0.000 0.228 197 L C 0.937 177.500 176.870 -0.512 0.000 1.153 197 L CA 1.483 56.266 54.840 -0.095 0.000 0.851 197 L CB -0.632 41.481 42.059 0.092 0.000 0.959 197 L HN 0.856 nan 8.230 nan 0.000 0.451 198 D N -2.185 117.929 120.400 -0.476 0.000 2.538 198 D HA 0.033 4.673 4.640 -0.000 0.000 0.241 198 D C 0.295 176.362 176.300 -0.388 0.000 1.297 198 D CA -0.152 53.421 54.000 -0.711 0.000 0.804 198 D CB 0.393 40.746 40.800 -0.745 0.000 1.122 198 D HN 0.256 nan 8.370 nan 0.000 0.519 199 E N 0.408 120.463 120.200 -0.240 0.000 2.293 199 E HA 0.653 5.003 4.350 -0.000 0.000 0.270 199 E C -1.719 174.788 176.600 -0.155 0.000 0.879 199 E CA -0.887 55.380 56.400 -0.223 0.000 0.756 199 E CB 2.245 31.891 29.700 -0.091 0.000 1.208 199 E HN 0.160 nan 8.360 nan 0.000 0.428 200 A N 2.996 125.650 122.820 -0.277 0.000 2.608 200 A HA 0.574 4.894 4.320 -0.000 0.000 0.292 200 A C -2.175 175.335 177.584 -0.123 0.000 1.066 200 A CA -0.642 51.369 52.037 -0.043 0.000 0.676 200 A CB 0.849 19.889 19.000 0.067 0.000 1.277 200 A HN 0.557 nan 8.150 nan 0.000 0.413 201 Y N -0.328 120.053 120.300 0.135 0.000 2.446 201 Y HA 0.758 5.308 4.550 -0.000 0.000 0.338 201 Y C -0.325 175.675 175.900 0.168 0.000 1.055 201 Y CA -0.624 57.567 58.100 0.151 0.000 1.101 201 Y CB 1.999 40.558 38.460 0.165 0.000 1.221 201 Y HN 0.575 nan 8.280 nan 0.000 0.460 202 L N 2.294 123.687 121.223 0.284 0.000 2.393 202 L HA 0.440 4.780 4.340 -0.000 0.000 0.260 202 L C -0.852 176.125 176.870 0.178 0.000 1.002 202 L CA -0.769 54.200 54.840 0.217 0.000 0.818 202 L CB 1.920 44.037 42.059 0.097 0.000 1.369 202 L HN 0.558 nan 8.230 nan 0.000 0.412 203 N N 2.177 120.975 118.700 0.164 0.000 2.696 203 N HA 0.301 5.041 4.740 -0.000 0.000 0.246 203 N C 0.209 175.791 175.510 0.120 0.000 1.057 203 N CA -0.381 52.748 53.050 0.131 0.000 0.867 203 N CB 0.815 39.381 38.487 0.133 0.000 1.141 203 N HN 0.673 nan 8.380 nan 0.000 0.517 204 I N -0.149 120.479 120.570 0.097 0.000 3.735 204 I HA 0.124 4.294 4.170 -0.000 0.000 0.310 204 I C 0.870 177.055 176.117 0.115 0.000 1.270 204 I CA -0.119 61.249 61.300 0.114 0.000 1.207 204 I CB -0.277 37.767 38.000 0.074 0.000 1.013 204 I HN 0.068 nan 8.210 nan 0.000 0.452 205 T N 1.433 116.037 114.554 0.083 0.000 2.653 205 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 205 T C 1.890 176.618 174.700 0.046 0.000 1.035 205 T CA 1.638 63.771 62.100 0.056 0.000 1.154 205 T CB -0.185 68.715 68.868 0.053 0.000 0.862 205 T HN 0.367 nan 8.240 nan 0.000 0.441 206 K N 0.327 120.768 120.400 0.068 0.000 2.002 206 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 206 K C 2.200 178.813 176.600 0.022 0.000 1.048 206 K CA 1.715 58.033 56.287 0.052 0.000 0.930 206 K CB -0.788 31.762 32.500 0.083 0.000 0.714 206 K HN 0.528 nan 8.250 nan 0.000 0.438 207 H N 1.175 120.226 119.070 -0.031 0.000 2.353 207 H HA -0.069 4.487 4.556 -0.000 0.000 0.298 207 H C 2.088 177.285 175.328 -0.219 0.000 1.103 207 H CA 1.861 57.839 56.048 -0.116 0.000 1.293 207 H CB -0.267 29.481 29.762 -0.023 0.000 1.372 207 H HN 0.044 nan 8.280 nan 0.000 0.501 208 L N 0.116 121.269 121.223 -0.117 0.000 1.989 208 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 208 L C 2.551 179.278 176.870 -0.240 0.000 1.071 208 L CA 1.955 56.688 54.840 -0.179 0.000 0.749 208 L CB -0.469 41.560 42.059 -0.049 0.000 0.890 208 L HN 0.475 nan 8.230 nan 0.000 0.431 209 E N -0.149 119.957 120.200 -0.158 0.000 2.070 209 E HA -0.266 4.084 4.350 -0.000 0.000 0.197 209 E C 2.089 178.570 176.600 -0.198 0.000 1.004 209 E CA 1.624 57.947 56.400 -0.129 0.000 0.805 209 E CB -0.121 29.540 29.700 -0.065 0.000 0.744 209 E HN 0.541 nan 8.360 nan 0.000 0.451 210 E N 0.433 120.461 120.200 -0.286 0.000 2.047 210 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 210 E C 2.199 178.325 176.600 -0.789 0.000 0.987 210 E CA 0.643 56.828 56.400 -0.359 0.000 0.799 210 E CB -0.161 29.378 29.700 -0.269 0.000 0.752 210 E HN 0.103 nan 8.360 nan 0.000 0.449 211 R N 1.291 121.048 120.500 -1.238 0.000 2.241 211 R HA -0.175 4.165 4.340 -0.000 0.000 0.224 211 R C 1.979 178.017 176.300 -0.436 0.000 1.101 211 R CA 1.091 56.427 56.100 -1.273 0.000 0.995 211 R CB 0.021 29.666 30.300 -1.091 0.000 0.870 211 R HN 0.241 nan 8.270 nan 0.000 0.463 212 Q N -0.153 119.472 119.800 -0.291 0.000 2.226 212 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 212 Q C 0.546 176.536 176.000 -0.017 0.000 0.975 212 Q CA 1.187 56.924 55.803 -0.110 0.000 0.866 212 Q CB 0.133 28.819 28.738 -0.087 0.000 0.915 212 Q HN 0.424 nan 8.270 nan 0.000 0.440 213 N N -0.969 117.743 118.700 0.020 0.000 2.238 213 N HA 0.013 4.753 4.740 -0.000 0.000 0.222 213 N C -1.136 174.548 175.510 0.290 0.000 1.133 213 N CA 0.089 53.215 53.050 0.127 0.000 0.854 213 N CB 0.397 38.952 38.487 0.114 0.000 1.041 213 N HN 0.132 nan 8.380 nan 0.000 0.510 214 W N 2.549 123.846 121.300 -0.005 0.000 2.335 214 W HA 0.389 5.049 4.660 -0.000 0.000 0.306 214 W C -2.039 174.490 176.519 0.017 0.000 1.216 214 W CA -2.242 55.108 57.345 0.008 0.000 1.237 214 W CB 0.033 29.501 29.460 0.012 0.000 1.243 214 W HN -0.042 nan 8.180 nan 0.000 0.493 215 P HA 0.051 nan 4.420 nan 0.000 0.274 215 P C 0.888 178.238 177.300 0.082 0.000 1.256 215 P CA -0.077 63.075 63.100 0.086 0.000 0.795 215 P CB 0.954 32.670 31.700 0.026 0.000 1.038 216 E N 0.793 121.024 120.200 0.052 0.000 2.130 216 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 216 E C 1.268 177.872 176.600 0.006 0.000 0.998 216 E CA 1.649 58.072 56.400 0.038 0.000 0.806 216 E CB -0.340 29.361 29.700 0.002 0.000 0.738 216 E HN 0.609 nan 8.360 nan 0.000 0.459 217 D N 1.179 121.564 120.400 -0.024 0.000 2.178 217 D HA -0.186 4.454 4.640 -0.000 0.000 0.201 217 D C 1.274 177.517 176.300 -0.095 0.000 0.980 217 D CA 1.104 55.070 54.000 -0.057 0.000 0.842 217 D CB -0.374 40.394 40.800 -0.053 0.000 0.948 217 D HN 0.088 nan 8.370 nan 0.000 0.472 218 K N -0.089 120.249 120.400 -0.104 0.000 2.525 218 K HA 0.076 4.396 4.320 -0.000 0.000 0.192 218 K C 0.859 177.463 176.600 0.007 0.000 1.029 218 K CA 0.186 56.353 56.287 -0.201 0.000 1.029 218 K CB 0.117 32.311 32.500 -0.510 0.000 0.814 218 K HN 0.344 nan 8.250 nan 0.000 0.503 219 R N 0.166 120.732 120.500 0.109 0.000 2.569 219 R HA 0.195 4.535 4.340 -0.000 0.000 0.429 219 R C -0.560 175.894 176.300 0.257 0.000 0.994 219 R CA -0.464 55.835 56.100 0.331 0.000 1.089 219 R CB 0.151 30.743 30.300 0.486 0.000 1.420 219 R HN -0.127 nan 8.270 nan 0.000 0.615 220 R N 1.159 121.627 120.500 -0.054 0.000 2.445 220 R HA 0.410 4.750 4.340 -0.000 0.000 0.308 220 R C -1.572 174.560 176.300 -0.280 0.000 0.961 220 R CA -0.368 55.667 56.100 -0.108 0.000 0.862 220 R CB 1.049 31.238 30.300 -0.185 0.000 1.144 220 R HN 0.091 nan 8.270 nan 0.000 0.447 221 Y N 2.738 123.003 120.300 -0.059 0.000 2.545 221 Y HA 0.431 4.981 4.550 -0.000 0.000 0.348 221 Y C -0.446 175.434 175.900 -0.034 0.000 1.002 221 Y CA -0.733 57.438 58.100 0.118 0.000 1.039 221 Y CB 1.425 40.113 38.460 0.380 0.000 1.271 221 Y HN 0.416 nan 8.280 nan 0.000 0.467 222 F N 1.613 121.777 119.950 0.356 0.000 2.380 222 F HA 0.599 5.126 4.527 -0.000 0.000 0.319 222 F C 0.172 176.212 175.800 0.399 0.000 1.113 222 F CA -0.672 57.491 58.000 0.272 0.000 1.056 222 F CB 0.617 39.714 39.000 0.161 0.000 1.289 222 F HN 0.114 nan 8.300 nan 0.000 0.515 223 I N 0.284 121.135 120.570 0.468 0.000 2.797 223 I HA 0.507 4.677 4.170 -0.000 0.000 0.307 223 I C -0.287 175.954 176.117 0.208 0.000 1.033 223 I CA -0.999 60.514 61.300 0.354 0.000 1.071 223 I CB 2.140 40.328 38.000 0.312 0.000 1.255 223 I HN 0.608 nan 8.210 nan 0.000 0.445 282 N N 2.295 121.135 118.700 0.234 0.000 2.499 282 N HA 0.310 5.050 4.740 -0.000 0.000 0.281 282 N C -0.467 175.053 175.510 0.016 0.000 1.098 282 N CA 0.412 53.527 53.050 0.109 0.000 0.979 282 N CB 1.602 40.139 38.487 0.084 0.000 1.121 282 N HN 0.226 nan 8.380 nan 0.000 0.466 283 S N -0.150 115.422 115.700 -0.213 0.000 2.671 283 S HA 0.777 5.247 4.470 -0.000 0.000 0.299 283 S C -0.601 173.797 174.600 -0.337 0.000 1.116 283 S CA -0.697 57.225 58.200 -0.463 0.000 0.912 283 S CB 1.704 64.347 63.200 -0.928 0.000 1.130 283 S HN 0.179 nan 8.310 nan 0.000 0.501 284 V N 0.818 120.483 119.914 -0.415 0.000 2.808 284 V HA 0.579 4.699 4.120 -0.000 0.000 0.308 284 V C -0.999 174.749 176.094 -0.577 0.000 1.099 284 V CA -0.692 61.279 62.300 -0.548 0.000 0.920 284 V CB 1.994 33.310 31.823 -0.845 0.000 1.014 284 V HN 0.879 nan 8.190 nan 0.000 0.425 285 V N 4.070 123.668 119.914 -0.526 0.000 2.459 285 V HA 0.584 4.704 4.120 -0.000 0.000 0.295 285 V C -0.747 175.081 176.094 -0.442 0.000 1.029 285 V CA -0.508 61.591 62.300 -0.334 0.000 0.874 285 V CB 1.570 33.296 31.823 -0.162 0.000 0.985 285 V HN 0.660 nan 8.190 nan 0.000 0.438 286 F N 1.775 121.729 119.950 0.007 0.000 2.458 286 F HA 0.719 5.246 4.527 -0.000 0.000 0.330 286 F C 1.192 177.020 175.800 0.045 0.000 1.082 286 F CA -0.239 57.766 58.000 0.009 0.000 0.995 286 F CB 1.417 40.431 39.000 0.023 0.000 1.170 286 F HN 0.649 nan 8.300 nan 0.000 0.478 287 G N -0.004 108.915 108.800 0.199 0.000 2.529 287 G HA2 0.291 4.251 3.960 -0.000 0.000 0.277 287 G HA3 0.291 4.251 3.960 -0.000 0.000 0.277 287 G C 0.788 175.769 174.900 0.136 0.000 1.383 287 G CA 0.182 45.357 45.100 0.126 0.000 1.050 287 G HN 0.721 nan 8.290 nan 0.000 0.526 288 T N -2.839 111.761 114.554 0.076 0.000 3.040 288 T HA 0.239 4.589 4.350 -0.000 0.000 0.250 288 T C 1.370 176.075 174.700 0.008 0.000 1.058 288 T CA 0.603 62.726 62.100 0.038 0.000 0.988 288 T CB -0.249 68.623 68.868 0.006 0.000 0.993 288 T HN 0.715 nan 8.240 nan 0.000 0.519 289 S N 0.781 116.492 115.700 0.018 0.000 2.634 289 S HA 0.687 5.157 4.470 -0.000 0.000 0.261 289 S C 1.842 176.441 174.600 -0.002 0.000 1.271 289 S CA -0.293 57.906 58.200 -0.001 0.000 0.985 289 S CB 0.827 64.024 63.200 -0.005 0.000 0.968 289 S HN 0.354 nan 8.310 nan 0.000 0.568 290 A N 0.344 123.152 122.820 -0.019 0.000 1.902 290 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 290 A C 2.278 179.832 177.584 -0.050 0.000 1.181 290 A CA 1.970 53.989 52.037 -0.031 0.000 0.623 290 A CB -1.401 17.575 19.000 -0.040 0.000 0.818 290 A HN 0.905 nan 8.150 nan 0.000 0.443 291 Q N 0.008 119.781 119.800 -0.044 0.000 2.045 291 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 291 Q C 1.878 177.858 176.000 -0.033 0.000 0.991 291 Q CA 2.277 58.052 55.803 -0.046 0.000 0.851 291 Q CB -0.277 28.441 28.738 -0.034 0.000 0.911 291 Q HN 0.625 nan 8.270 nan 0.000 0.418 292 E N -0.558 119.645 120.200 0.005 0.000 2.072 292 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 292 E C 2.170 178.733 176.600 -0.062 0.000 0.985 292 E CA 1.269 57.703 56.400 0.057 0.000 0.801 292 E CB -0.440 29.337 29.700 0.129 0.000 0.750 292 E HN 0.290 nan 8.360 nan 0.000 0.452 293 V N 1.264 121.139 119.914 -0.066 0.000 2.287 293 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 293 V C 2.579 178.453 176.094 -0.367 0.000 1.053 293 V CA 1.570 63.775 62.300 -0.158 0.000 1.027 293 V CB -0.583 31.205 31.823 -0.059 0.000 0.646 293 V HN 0.069 nan 8.190 nan 0.000 0.447 294 V N -0.386 119.364 119.914 -0.273 0.000 2.626 294 V HA -0.212 3.908 4.120 -0.000 0.000 0.252 294 V C 2.359 178.275 176.094 -0.298 0.000 1.067 294 V CA 1.687 63.808 62.300 -0.298 0.000 1.081 294 V CB -0.747 30.962 31.823 -0.190 0.000 0.686 294 V HN 0.564 nan 8.190 nan 0.000 0.468 295 K N 0.022 120.270 120.400 -0.253 0.000 2.097 295 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 295 K C 2.186 178.439 176.600 -0.580 0.000 1.050 295 K CA 1.414 57.574 56.287 -0.213 0.000 0.938 295 K CB -0.108 32.403 32.500 0.018 0.000 0.718 295 K HN 0.526 nan 8.250 nan 0.000 0.442 296 E N 1.366 120.936 120.200 -1.049 0.000 2.051 296 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 296 E C 1.988 178.150 176.600 -0.731 0.000 0.991 296 E CA 1.044 56.536 56.400 -1.514 0.000 0.799 296 E CB -0.009 29.062 29.700 -1.050 0.000 0.748 296 E HN 0.227 nan 8.360 nan 0.000 0.449 297 I N 0.355 120.531 120.570 -0.656 0.000 2.226 297 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 297 I C 2.676 178.604 176.117 -0.315 0.000 1.100 297 I CA 1.145 62.121 61.300 -0.541 0.000 1.374 297 I CB -0.246 37.347 38.000 -0.678 0.000 1.057 297 I HN 0.065 nan 8.210 nan 0.000 0.413 298 R N -0.098 120.246 120.500 -0.261 0.000 2.092 298 R HA -0.156 4.184 4.340 -0.000 0.000 0.231 298 R C 2.308 178.563 176.300 -0.076 0.000 1.119 298 R CA 1.412 57.423 56.100 -0.148 0.000 0.970 298 R CB -0.377 29.859 30.300 -0.106 0.000 0.864 298 R HN 0.271 nan 8.270 nan 0.000 0.440 299 F N 1.657 121.488 119.950 -0.197 0.000 2.102 299 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 299 F C 2.173 177.919 175.800 -0.090 0.000 1.105 299 F CA 1.493 59.450 58.000 -0.073 0.000 1.239 299 F CB 0.019 39.058 39.000 0.065 0.000 0.991 299 F HN -0.203 nan 8.300 nan 0.000 0.474 300 R N 0.381 120.840 120.500 -0.067 0.000 2.081 300 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 300 R C 2.323 178.524 176.300 -0.165 0.000 1.131 300 R CA 1.968 57.985 56.100 -0.138 0.000 0.960 300 R CB -0.630 29.598 30.300 -0.120 0.000 0.856 300 R HN 0.380 nan 8.270 nan 0.000 0.436 301 I N 0.757 121.238 120.570 -0.149 0.000 2.127 301 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 301 I C 2.682 178.727 176.117 -0.120 0.000 1.075 301 I CA 1.500 62.728 61.300 -0.120 0.000 1.334 301 I CB -0.344 37.585 38.000 -0.119 0.000 1.040 301 I HN 0.306 nan 8.210 nan 0.000 0.405 302 E N 0.349 120.457 120.200 -0.153 0.000 2.150 302 E HA -0.275 4.074 4.350 -0.000 0.000 0.193 302 E C 2.125 178.607 176.600 -0.198 0.000 0.985 302 E CA 1.069 57.381 56.400 -0.146 0.000 0.814 302 E CB 0.169 29.787 29.700 -0.138 0.000 0.752 302 E HN 0.354 nan 8.360 nan 0.000 0.466 303 Q N 0.991 120.598 119.800 -0.321 0.000 2.020 303 Q HA -0.126 4.214 4.340 -0.000 0.000 0.198 303 Q C 1.944 177.852 176.000 -0.153 0.000 0.974 303 Q CA 1.814 57.420 55.803 -0.327 0.000 0.829 303 Q CB -0.112 28.287 28.738 -0.565 0.000 0.894 303 Q HN 0.009 nan 8.270 nan 0.000 0.433 304 K N -0.752 119.578 120.400 -0.117 0.000 2.057 304 K HA -0.027 4.293 4.320 -0.000 0.000 0.207 304 K C 0.674 177.244 176.600 -0.050 0.000 1.049 304 K CA 1.510 57.762 56.287 -0.059 0.000 0.931 304 K CB -0.435 32.038 32.500 -0.044 0.000 0.714 304 K HN 0.204 nan 8.250 nan 0.000 0.440 305 T N -1.741 112.780 114.554 -0.056 0.000 2.960 305 T HA 0.224 4.574 4.350 -0.000 0.000 0.279 305 T C 0.336 175.009 174.700 -0.045 0.000 1.171 305 T CA 0.029 62.109 62.100 -0.034 0.000 0.952 305 T CB 0.978 69.840 68.868 -0.009 0.000 2.127 305 T HN 0.043 nan 8.240 nan 0.000 0.573 306 T N 0.813 115.349 114.554 -0.030 0.000 3.407 306 T HA 0.357 4.707 4.350 -0.000 0.000 0.308 306 T C -0.281 174.412 174.700 -0.013 0.000 0.919 306 T CA -0.229 61.853 62.100 -0.030 0.000 0.960 306 T CB -0.041 68.812 68.868 -0.024 0.000 1.193 306 T HN 0.201 nan 8.240 nan 0.000 0.568 307 L N 2.308 123.531 121.223 0.000 0.000 2.360 307 L HA 0.688 5.028 4.340 -0.000 0.000 0.271 307 L C 0.817 177.695 176.870 0.013 0.000 1.057 307 L CA -0.900 53.958 54.840 0.030 0.000 0.803 307 L CB 1.164 43.275 42.059 0.086 0.000 1.207 307 L HN 0.153 nan 8.230 nan 0.000 0.445 308 T N -1.149 113.421 114.554 0.027 0.000 2.952 308 T HA 0.862 5.212 4.350 -0.000 0.000 0.286 308 T C -0.408 174.294 174.700 0.003 0.000 1.024 308 T CA -0.727 61.375 62.100 0.003 0.000 1.029 308 T CB 2.297 71.169 68.868 0.005 0.000 1.094 308 T HN 0.806 nan 8.240 nan 0.000 0.515 309 A N 0.992 123.794 122.820 -0.029 0.000 2.556 309 A HA 0.840 5.160 4.320 -0.000 0.000 0.294 309 A C -0.090 177.463 177.584 -0.051 0.000 1.091 309 A CA -0.795 51.212 52.037 -0.050 0.000 0.704 309 A CB 1.418 20.357 19.000 -0.102 0.000 1.300 309 A HN 1.425 nan 8.150 nan 0.000 0.406 310 S N -0.120 115.549 115.700 -0.051 0.000 2.664 310 S HA 0.953 5.423 4.470 -0.000 0.000 0.304 310 S C -0.242 174.320 174.600 -0.062 0.000 1.099 310 S CA -0.079 58.099 58.200 -0.036 0.000 1.003 310 S CB 1.813 65.009 63.200 -0.007 0.000 1.092 310 S HN 2.438 nan 8.310 nan 0.000 0.525 311 A N 0.067 122.866 122.820 -0.034 0.000 2.577 311 A HA 0.782 5.102 4.320 -0.000 0.000 0.297 311 A C -0.326 177.265 177.584 0.012 0.000 1.060 311 A CA -0.421 51.587 52.037 -0.048 0.000 0.697 311 A CB 0.981 19.920 19.000 -0.102 0.000 1.281 311 A HN 1.517 nan 8.150 nan 0.000 0.402 312 G N 0.362 109.179 108.800 0.028 0.000 2.416 312 G HA2 0.640 4.600 3.960 -0.000 0.000 0.329 312 G HA3 0.640 4.600 3.960 -0.000 0.000 0.329 312 G C -0.866 174.037 174.900 0.006 0.000 1.173 312 G CA -0.541 44.590 45.100 0.050 0.000 0.929 312 G HN 0.704 nan 8.290 nan 0.000 0.475 313 I N 1.136 121.692 120.570 -0.024 0.000 2.465 313 I HA 0.713 4.883 4.170 -0.000 0.000 0.291 313 I C 0.146 176.220 176.117 -0.072 0.000 1.014 313 I CA -0.642 60.628 61.300 -0.050 0.000 1.093 313 I CB 2.105 40.060 38.000 -0.076 0.000 1.267 313 I HN 0.693 nan 8.210 nan 0.000 0.431 314 A N 7.245 130.036 122.820 -0.049 0.000 2.601 314 A HA 0.658 4.978 4.320 -0.000 0.000 0.291 314 A C -2.517 175.047 177.584 -0.033 0.000 1.075 314 A CA -0.928 51.070 52.037 -0.064 0.000 0.671 314 A CB 1.247 20.192 19.000 -0.093 0.000 1.277 314 A HN 0.458 nan 8.150 nan 0.000 0.417 315 P HA -0.057 nan 4.420 nan 0.000 0.228 315 P C -0.025 177.270 177.300 -0.008 0.000 1.151 315 P CA 1.561 64.650 63.100 -0.020 0.000 0.770 315 P CB -0.295 31.389 31.700 -0.026 0.000 0.786 316 N N -3.902 114.793 118.700 -0.008 0.000 2.825 316 N HA 0.154 4.894 4.740 -0.000 0.000 0.253 316 N C 0.457 175.982 175.510 0.025 0.000 1.426 316 N CA -0.718 52.331 53.050 -0.001 0.000 0.851 316 N CB -0.189 38.288 38.487 -0.016 0.000 1.470 316 N HN -0.470 nan 8.380 nan 0.000 0.517 317 T N -0.368 114.199 114.554 0.023 0.000 2.759 317 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 317 T C 1.406 176.172 174.700 0.110 0.000 1.042 317 T CA 1.243 63.389 62.100 0.076 0.000 1.140 317 T CB -0.284 68.537 68.868 -0.079 0.000 0.864 317 T HN 0.548 nan 8.240 nan 0.000 0.455 318 M N 0.486 120.112 119.600 0.044 0.000 2.254 318 M HA 0.081 4.561 4.480 -0.000 0.000 0.265 318 M C 1.848 178.168 176.300 0.033 0.000 1.066 318 M CA 1.359 56.688 55.300 0.049 0.000 1.123 318 M CB -0.673 31.945 32.600 0.030 0.000 1.388 318 M HN 0.274 nan 8.290 nan 0.000 0.425 319 L N -0.125 121.101 121.223 0.005 0.000 2.068 319 L HA -0.046 4.294 4.340 -0.000 0.000 0.204 319 L C 2.696 179.506 176.870 -0.101 0.000 1.076 319 L CA 0.953 55.758 54.840 -0.058 0.000 0.753 319 L CB -0.982 41.025 42.059 -0.087 0.000 0.910 319 L HN 0.290 nan 8.230 nan 0.000 0.439 320 A N 0.486 123.284 122.820 -0.037 0.000 1.908 320 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 320 A C 2.253 179.797 177.584 -0.067 0.000 1.181 320 A CA 2.150 54.173 52.037 -0.023 0.000 0.627 320 A CB -0.421 18.615 19.000 0.059 0.000 0.818 320 A HN 0.273 nan 8.150 nan 0.000 0.445 321 K N 0.558 120.883 120.400 -0.124 0.000 1.991 321 K HA -0.146 4.174 4.320 -0.000 0.000 0.212 321 K C 1.700 178.173 176.600 -0.212 0.000 1.049 321 K CA 2.472 58.518 56.287 -0.402 0.000 0.932 321 K CB -1.094 31.280 32.500 -0.211 0.000 0.717 321 K HN 0.591 nan 8.250 nan 0.000 0.441 322 V N -0.397 119.481 119.914 -0.060 0.000 3.241 322 V HA -0.087 4.033 4.120 -0.000 0.000 0.269 322 V C 2.001 178.156 176.094 0.102 0.000 1.151 322 V CA 1.353 63.684 62.300 0.052 0.000 1.158 322 V CB -1.439 30.488 31.823 0.174 0.000 0.764 322 V HN 0.570 nan 8.190 nan 0.000 0.508 323 C N -0.719 118.556 119.300 -0.041 0.000 3.392 323 C HA 0.386 4.846 4.460 -0.000 0.000 0.301 323 C C 2.757 177.733 174.990 -0.023 0.000 1.354 323 C CA 0.306 59.272 59.018 -0.087 0.000 1.732 323 C CB -0.757 26.781 27.740 -0.336 0.000 2.269 323 C HN 0.651 nan 8.230 nan 0.000 0.673 324 S N 2.236 117.949 115.700 0.022 0.000 2.469 324 S HA -0.197 4.272 4.470 -0.000 0.000 0.238 324 S C 1.169 175.798 174.600 0.048 0.000 0.998 324 S CA 1.751 59.996 58.200 0.074 0.000 0.957 324 S CB -0.615 62.710 63.200 0.208 0.000 0.764 324 S HN 0.828 nan 8.310 nan 0.000 0.514 325 D N -0.085 120.328 120.400 0.021 0.000 2.395 325 D HA 0.150 4.790 4.640 -0.000 0.000 0.213 325 D C 1.380 177.661 176.300 -0.032 0.000 1.110 325 D CA -0.170 53.837 54.000 0.012 0.000 0.835 325 D CB -0.162 40.656 40.800 0.029 0.000 0.965 325 D HN 0.047 nan 8.370 nan 0.000 0.505 326 K N 0.663 120.999 120.400 -0.107 0.000 2.211 326 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 326 K C 0.264 176.808 176.600 -0.094 0.000 1.047 326 K CA 0.682 56.844 56.287 -0.208 0.000 0.935 326 K CB -0.174 31.922 32.500 -0.673 0.000 0.728 326 K HN 0.212 nan 8.250 nan 0.000 0.452 327 N N 1.154 119.840 118.700 -0.023 0.000 2.723 327 N HA 0.101 4.841 4.740 -0.000 0.000 0.290 327 N C -0.869 174.634 175.510 -0.012 0.000 1.882 327 N CA -0.050 53.002 53.050 0.005 0.000 0.851 327 N CB 0.974 39.496 38.487 0.059 0.000 1.234 327 N HN 0.021 nan 8.380 nan 0.000 0.491 328 K N 0.524 120.910 120.400 -0.023 0.000 2.118 328 K HA 0.447 4.767 4.320 -0.000 0.000 0.254 328 K C -1.511 175.017 176.600 -0.121 0.000 0.961 328 K CA -1.296 54.971 56.287 -0.033 0.000 0.876 328 K CB 1.409 33.929 32.500 0.033 0.000 1.077 328 K HN -0.014 nan 8.250 nan 0.000 0.440 329 P HA -0.109 nan 4.420 nan 0.000 0.219 329 P C -0.153 177.094 177.300 -0.089 0.000 1.231 329 P CA 0.139 63.123 63.100 -0.193 0.000 0.673 329 P CB -0.048 31.400 31.700 -0.420 0.000 0.768 330 N N 0.617 119.266 118.700 -0.084 0.000 2.399 330 N HA 0.099 4.839 4.740 -0.000 0.000 0.297 330 N C -0.154 175.337 175.510 -0.030 0.000 1.219 330 N CA 0.699 53.723 53.050 -0.044 0.000 1.154 330 N CB -1.263 37.202 38.487 -0.037 0.000 1.464 330 N HN 0.414 nan 8.380 nan 0.000 0.495 331 G N 0.523 109.310 108.800 -0.022 0.000 2.645 331 G HA2 0.549 4.509 3.960 -0.000 0.000 0.292 331 G HA3 0.549 4.509 3.960 -0.000 0.000 0.292 331 G C -1.831 173.074 174.900 0.008 0.000 1.415 331 G CA -0.760 44.338 45.100 -0.002 0.000 0.785 331 G HN 0.473 nan 8.290 nan 0.000 0.483 332 Q N -1.526 118.292 119.800 0.030 0.000 2.501 332 Q HA 0.755 5.094 4.340 -0.000 0.000 0.288 332 Q C -2.199 173.872 176.000 0.118 0.000 1.051 332 Q CA -1.142 54.686 55.803 0.041 0.000 0.788 332 Q CB 2.967 31.698 28.738 -0.012 0.000 1.469 332 Q HN 0.658 nan 8.270 nan 0.000 0.416 333 Y N 0.257 120.529 120.300 -0.046 0.000 2.479 333 Y HA 0.351 4.901 4.550 -0.000 0.000 0.338 333 Y C -1.738 174.116 175.900 -0.076 0.000 1.055 333 Y CA -0.402 57.671 58.100 -0.046 0.000 1.023 333 Y CB 2.660 41.102 38.460 -0.030 0.000 1.287 333 Y HN 0.876 nan 8.280 nan 0.000 0.447 334 Q N 6.066 125.506 119.800 -0.600 0.000 2.356 334 Q HA 0.596 4.936 4.340 -0.000 0.000 0.270 334 Q C -1.819 173.871 176.000 -0.516 0.000 1.058 334 Q CA -0.758 54.801 55.803 -0.408 0.000 0.802 334 Q CB 1.581 30.167 28.738 -0.253 0.000 1.303 334 Q HN 0.829 nan 8.270 nan 0.000 0.444 335 I N 5.614 126.007 120.570 -0.295 0.000 2.377 335 I HA 0.193 4.363 4.170 -0.000 0.000 0.282 335 I C -0.188 175.846 176.117 -0.139 0.000 1.091 335 I CA -0.555 60.617 61.300 -0.213 0.000 1.207 335 I CB 0.432 38.301 38.000 -0.219 0.000 1.429 335 I HN 0.595 nan 8.210 nan 0.000 0.491 336 L N 6.876 128.021 121.223 -0.131 0.000 2.640 336 L HA -0.074 4.266 4.340 -0.000 0.000 0.300 336 L C -1.683 175.149 176.870 -0.063 0.000 1.259 336 L CA -0.905 53.881 54.840 -0.090 0.000 0.879 336 L CB -0.334 41.678 42.059 -0.079 0.000 1.125 336 L HN 0.343 nan 8.230 nan 0.000 0.507 337 P HA 0.006 nan 4.420 nan 0.000 0.235 337 P C -1.285 175.995 177.300 -0.033 0.000 1.670 337 P CA 0.188 63.265 63.100 -0.039 0.000 1.017 337 P CB -0.438 31.242 31.700 -0.033 0.000 1.945 338 N N -2.058 116.622 118.700 -0.033 0.000 2.367 338 N HA 0.256 4.996 4.740 -0.000 0.000 0.278 338 N C 0.593 176.087 175.510 -0.026 0.000 1.117 338 N CA -1.199 51.834 53.050 -0.028 0.000 0.867 338 N CB 1.215 39.687 38.487 -0.026 0.000 1.649 338 N HN -0.290 nan 8.380 nan 0.000 0.479 339 R N 0.215 120.698 120.500 -0.029 0.000 2.113 339 R HA -0.220 4.120 4.340 -0.000 0.000 0.244 339 R C 1.208 177.492 176.300 -0.027 0.000 1.142 339 R CA 1.869 57.949 56.100 -0.033 0.000 0.953 339 R CB -0.129 30.146 30.300 -0.041 0.000 0.860 339 R HN 0.674 nan 8.270 nan 0.000 0.438 340 Q N -0.224 119.562 119.800 -0.023 0.000 2.096 340 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 340 Q C 2.054 178.056 176.000 0.003 0.000 0.982 340 Q CA 1.885 57.679 55.803 -0.016 0.000 0.850 340 Q CB -0.365 28.363 28.738 -0.016 0.000 0.901 340 Q HN 0.495 nan 8.270 nan 0.000 0.422 341 A N -0.078 122.745 122.820 0.004 0.000 1.933 341 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 341 A C 2.413 180.032 177.584 0.059 0.000 1.175 341 A CA 1.505 53.556 52.037 0.023 0.000 0.628 341 A CB -0.514 18.482 19.000 -0.008 0.000 0.814 341 A HN 0.217 nan 8.150 nan 0.000 0.444 342 V N -0.266 119.667 119.914 0.032 0.000 2.283 342 V HA -0.236 3.884 4.120 -0.000 0.000 0.243 342 V C 2.616 178.759 176.094 0.082 0.000 1.039 342 V CA 1.899 64.231 62.300 0.053 0.000 1.016 342 V CB -0.632 31.195 31.823 0.005 0.000 0.650 342 V HN 0.477 nan 8.190 nan 0.000 0.449 343 M N -0.197 119.414 119.600 0.019 0.000 2.213 343 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 343 M C 1.816 178.120 176.300 0.006 0.000 1.062 343 M CA 1.435 56.726 55.300 -0.014 0.000 1.105 343 M CB -1.329 31.232 32.600 -0.065 0.000 1.385 343 M HN 0.374 nan 8.290 nan 0.000 0.417 344 D N -0.973 119.449 120.400 0.038 0.000 2.234 344 D HA -0.080 4.560 4.640 -0.000 0.000 0.205 344 D C 1.814 178.152 176.300 0.063 0.000 0.962 344 D CA 0.683 54.703 54.000 0.034 0.000 0.855 344 D CB -0.141 40.683 40.800 0.040 0.000 0.951 344 D HN 0.324 nan 8.370 nan 0.000 0.500 345 F N 1.436 121.393 119.950 0.011 0.000 2.128 345 F HA -0.102 4.425 4.527 -0.000 0.000 0.295 345 F C 2.062 177.862 175.800 0.001 0.000 1.100 345 F CA 0.741 58.761 58.000 0.033 0.000 1.260 345 F CB -0.020 39.025 39.000 0.074 0.000 1.009 345 F HN -0.213 nan 8.300 nan 0.000 0.476 346 I N 1.178 121.799 120.570 0.085 0.000 2.286 346 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 346 I C 2.376 178.425 176.117 -0.113 0.000 1.115 346 I CA 1.472 62.766 61.300 -0.009 0.000 1.392 346 I CB -1.299 36.728 38.000 0.045 0.000 1.065 346 I HN 0.254 nan 8.210 nan 0.000 0.418 347 K N 1.179 121.520 120.400 -0.099 0.000 2.074 347 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 347 K C 0.202 176.725 176.600 -0.128 0.000 1.048 347 K CA 1.716 57.944 56.287 -0.098 0.000 0.926 347 K CB 0.008 32.463 32.500 -0.076 0.000 0.713 347 K HN 0.280 nan 8.250 nan 0.000 0.444 348 D N 1.197 121.476 120.400 -0.201 0.000 3.139 348 D HA 0.097 4.737 4.640 -0.000 0.000 0.268 348 D C -0.925 175.204 176.300 -0.285 0.000 1.322 348 D CA -0.095 53.776 54.000 -0.216 0.000 0.940 348 D CB 0.421 41.087 40.800 -0.223 0.000 1.050 348 D HN 0.047 nan 8.370 nan 0.000 0.503 349 L N 1.278 122.370 121.223 -0.218 0.000 2.404 349 L HA 0.433 4.773 4.340 -0.000 0.000 0.272 349 L C -2.817 173.990 176.870 -0.105 0.000 0.980 349 L CA -1.957 52.766 54.840 -0.195 0.000 0.836 349 L CB 2.206 44.150 42.059 -0.192 0.000 1.238 349 L HN -0.232 nan 8.230 nan 0.000 0.408 350 P HA 0.285 nan 4.420 nan 0.000 0.271 350 P C 1.102 178.383 177.300 -0.032 0.000 1.216 350 P CA -0.083 62.985 63.100 -0.054 0.000 0.776 350 P CB 0.830 32.501 31.700 -0.047 0.000 0.881 351 I N 1.558 122.110 120.570 -0.031 0.000 2.567 351 I HA -0.247 3.923 4.170 -0.000 0.000 0.257 351 I C 2.255 178.378 176.117 0.011 0.000 1.184 351 I CA 1.159 62.450 61.300 -0.015 0.000 1.451 351 I CB -0.279 37.696 38.000 -0.042 0.000 1.089 351 I HN 0.385 nan 8.210 nan 0.000 0.441 352 R N 2.032 122.534 120.500 0.002 0.000 2.120 352 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 352 R C 2.320 178.633 176.300 0.022 0.000 1.123 352 R CA 2.010 58.117 56.100 0.013 0.000 0.975 352 R CB -0.547 29.755 30.300 0.004 0.000 0.866 352 R HN 0.295 nan 8.270 nan 0.000 0.446 353 K N -0.366 120.043 120.400 0.016 0.000 2.418 353 K HA 0.167 4.487 4.320 -0.000 0.000 0.195 353 K C 0.715 177.345 176.600 0.050 0.000 1.035 353 K CA 1.036 57.339 56.287 0.026 0.000 1.003 353 K CB -0.180 32.328 32.500 0.013 0.000 0.793 353 K HN 0.083 nan 8.250 nan 0.000 0.494 354 V N 3.667 123.618 119.914 0.062 0.000 2.071 354 V HA 0.079 4.199 4.120 -0.000 0.000 0.254 354 V C 0.370 176.538 176.094 0.123 0.000 1.456 354 V CA -0.301 62.057 62.300 0.098 0.000 1.383 354 V CB -0.826 31.064 31.823 0.112 0.000 1.433 354 V HN 0.572 nan 8.190 nan 0.000 0.499 355 S N 2.144 117.904 115.700 0.100 0.000 2.515 355 S HA 0.471 4.941 4.470 -0.000 0.000 0.285 355 S C 1.151 175.831 174.600 0.134 0.000 1.265 355 S CA 0.401 58.659 58.200 0.097 0.000 1.079 355 S CB 0.965 64.209 63.200 0.074 0.000 0.877 355 S HN 1.164 nan 8.310 nan 0.000 0.493 356 G N 2.818 111.688 108.800 0.118 0.000 3.382 356 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.214 356 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.214 356 G C -0.086 174.810 174.900 -0.007 0.000 1.025 356 G CA -0.555 44.595 45.100 0.083 0.000 0.869 356 G HN 0.690 nan 8.290 nan 0.000 0.458 357 I N 3.367 124.043 120.570 0.177 0.000 2.287 357 I HA 0.456 4.626 4.170 -0.000 0.000 0.290 357 I C 1.433 177.617 176.117 0.113 0.000 1.069 357 I CA -0.344 61.077 61.300 0.201 0.000 1.237 357 I CB 0.956 39.121 38.000 0.275 0.000 1.418 357 I HN 0.198 nan 8.210 nan 0.000 0.481 358 G N 3.803 112.646 108.800 0.073 0.000 2.732 358 G HA2 0.144 4.104 3.960 -0.000 0.000 0.244 358 G HA3 0.144 4.104 3.960 -0.000 0.000 0.244 358 G C 1.035 175.981 174.900 0.076 0.000 1.226 358 G CA 0.214 45.350 45.100 0.060 0.000 0.860 358 G HN 0.698 nan 8.290 nan 0.000 0.583 359 K N -0.436 120.000 120.400 0.059 0.000 2.211 359 K HA 0.060 4.380 4.320 -0.000 0.000 0.203 359 K C 2.518 179.160 176.600 0.069 0.000 1.050 359 K CA 1.768 58.089 56.287 0.057 0.000 0.945 359 K CB -0.624 31.902 32.500 0.043 0.000 0.732 359 K HN 0.365 nan 8.250 nan 0.000 0.451 360 V N 1.713 121.673 119.914 0.076 0.000 2.244 360 V HA -0.251 3.869 4.120 -0.000 0.000 0.244 360 V C 3.095 179.271 176.094 0.138 0.000 1.042 360 V CA 2.551 64.904 62.300 0.089 0.000 1.006 360 V CB -0.607 31.264 31.823 0.080 0.000 0.641 360 V HN 0.840 nan 8.190 nan 0.000 0.446 361 T N -1.540 113.126 114.554 0.186 0.000 2.849 361 T HA -0.275 4.075 4.350 -0.000 0.000 0.270 361 T C 1.722 176.548 174.700 0.211 0.000 1.066 361 T CA 2.000 64.281 62.100 0.303 0.000 1.130 361 T CB -0.375 68.730 68.868 0.396 0.000 0.864 361 T HN 0.625 nan 8.240 nan 0.000 0.481 362 E N 1.490 121.768 120.200 0.129 0.000 2.072 362 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 362 E C 2.239 178.881 176.600 0.070 0.000 0.985 362 E CA 1.422 57.864 56.400 0.069 0.000 0.801 362 E CB -0.310 29.422 29.700 0.054 0.000 0.750 362 E HN 0.701 nan 8.360 nan 0.000 0.452 363 K N 0.097 120.546 120.400 0.081 0.000 2.591 363 K HA 0.074 4.394 4.320 -0.000 0.000 0.197 363 K C 1.260 177.916 176.600 0.093 0.000 1.026 363 K CA 0.606 56.935 56.287 0.070 0.000 1.127 363 K CB -0.408 32.125 32.500 0.056 0.000 0.871 363 K HN 0.204 nan 8.250 nan 0.000 0.507 364 M N -1.118 118.570 119.600 0.146 0.000 2.740 364 M HA 0.269 4.749 4.480 -0.000 0.000 0.253 364 M C 1.773 178.207 176.300 0.222 0.000 1.341 364 M CA 0.390 55.813 55.300 0.205 0.000 1.176 364 M CB 0.405 33.213 32.600 0.347 0.000 1.310 364 M HN 0.250 nan 8.290 nan 0.000 0.531 365 L N 0.010 121.332 121.223 0.165 0.000 2.179 365 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 365 L C 2.319 179.206 176.870 0.029 0.000 1.096 365 L CA 1.002 55.874 54.840 0.052 0.000 0.779 365 L CB -0.509 41.481 42.059 -0.115 0.000 0.922 365 L HN 0.247 nan 8.230 nan 0.000 0.443 366 K N 0.842 121.262 120.400 0.033 0.000 2.103 366 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 366 K C 2.058 178.675 176.600 0.027 0.000 1.048 366 K CA 1.429 57.728 56.287 0.020 0.000 0.930 366 K CB -0.099 32.415 32.500 0.023 0.000 0.716 366 K HN 0.254 nan 8.250 nan 0.000 0.444 367 A N 0.106 122.953 122.820 0.045 0.000 2.066 367 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 367 A C 2.183 179.792 177.584 0.041 0.000 1.157 367 A CA 1.528 53.590 52.037 0.041 0.000 0.670 367 A CB -0.696 18.332 19.000 0.047 0.000 0.804 367 A HN 0.314 nan 8.150 nan 0.000 0.453 368 L N -2.271 118.984 121.223 0.053 0.000 2.607 368 L HA 0.533 4.873 4.340 -0.000 0.000 0.228 368 L C 1.797 178.680 176.870 0.021 0.000 1.123 368 L CA 1.059 55.928 54.840 0.049 0.000 0.890 368 L CB -1.646 40.465 42.059 0.086 0.000 1.103 368 L HN 1.340 nan 8.230 nan 0.000 0.468 369 G N -0.220 108.587 108.800 0.012 0.000 2.157 369 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.248 369 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.248 369 G C 0.227 175.118 174.900 -0.015 0.000 0.979 369 G CA 0.226 45.325 45.100 -0.001 0.000 0.650 369 G HN 0.708 nan 8.290 nan 0.000 0.529 370 I N 1.596 122.151 120.570 -0.025 0.000 2.291 370 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 370 I C 1.028 177.108 176.117 -0.061 0.000 1.064 370 I CA -0.626 60.640 61.300 -0.056 0.000 1.269 370 I CB 0.675 38.614 38.000 -0.101 0.000 1.418 370 I HN -0.074 nan 8.210 nan 0.000 0.485 371 I N 3.367 123.906 120.570 -0.051 0.000 4.403 371 I HA 0.148 4.318 4.170 -0.000 0.000 0.331 371 I C 0.777 176.862 176.117 -0.052 0.000 1.327 371 I CA 0.660 61.933 61.300 -0.046 0.000 1.175 371 I CB 0.434 38.415 38.000 -0.031 0.000 1.165 371 I HN 0.391 nan 8.210 nan 0.000 0.413 372 T N -0.315 114.205 114.554 -0.056 0.000 2.908 372 T HA 0.236 4.586 4.350 -0.000 0.000 0.290 372 T C 0.998 175.665 174.700 -0.056 0.000 1.034 372 T CA -0.267 61.800 62.100 -0.055 0.000 1.010 372 T CB 2.726 71.566 68.868 -0.047 0.000 1.068 372 T HN 0.040 nan 8.240 nan 0.000 0.481 373 C N 1.455 120.724 119.300 -0.050 0.000 2.446 373 C HA -0.021 4.439 4.460 -0.000 0.000 0.279 373 C C 2.814 177.806 174.990 0.003 0.000 1.366 373 C CA 0.689 59.688 59.018 -0.031 0.000 1.763 373 C CB -1.012 26.709 27.740 -0.030 0.000 1.929 373 C HN 0.970 nan 8.230 nan 0.000 0.509 374 T N 0.860 115.410 114.554 -0.008 0.000 2.777 374 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 374 T C 1.633 176.370 174.700 0.060 0.000 1.040 374 T CA 1.446 63.560 62.100 0.024 0.000 1.141 374 T CB -0.224 68.641 68.868 -0.005 0.000 0.868 374 T HN 0.652 nan 8.240 nan 0.000 0.444 375 E N 0.503 120.710 120.200 0.012 0.000 2.106 375 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 375 E C 2.080 178.672 176.600 -0.014 0.000 0.984 375 E CA 0.505 56.903 56.400 -0.003 0.000 0.806 375 E CB -0.217 29.465 29.700 -0.029 0.000 0.750 375 E HN 0.183 nan 8.360 nan 0.000 0.458 376 L N 0.197 121.403 121.223 -0.029 0.000 2.079 376 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 376 L C 2.128 179.012 176.870 0.024 0.000 1.081 376 L CA 1.685 56.486 54.840 -0.066 0.000 0.752 376 L CB -0.420 41.586 42.059 -0.088 0.000 0.896 376 L HN 0.167 nan 8.230 nan 0.000 0.433 377 Y N -0.368 119.914 120.300 -0.031 0.000 2.243 377 Y HA -0.157 4.393 4.550 -0.000 0.000 0.293 377 Y C 2.527 178.423 175.900 -0.007 0.000 1.124 377 Y CA 1.569 59.665 58.100 -0.006 0.000 1.159 377 Y CB -0.163 38.288 38.460 -0.014 0.000 1.008 377 Y HN 0.293 nan 8.280 nan 0.000 0.527 378 Q N -0.430 119.375 119.800 0.008 0.000 2.181 378 Q HA -0.198 4.142 4.340 -0.000 0.000 0.205 378 Q C 1.288 177.215 176.000 -0.122 0.000 0.980 378 Q CA 1.311 57.079 55.803 -0.057 0.000 0.862 378 Q CB -0.047 28.701 28.738 0.017 0.000 0.905 378 Q HN 0.509 nan 8.270 nan 0.000 0.429 379 Q N 0.111 119.850 119.800 -0.102 0.000 2.220 379 Q HA 0.046 4.386 4.340 -0.000 0.000 0.205 379 Q C 1.472 177.412 176.000 -0.100 0.000 0.865 379 Q CA 0.012 55.764 55.803 -0.085 0.000 0.960 379 Q CB 0.354 29.062 28.738 -0.050 0.000 1.097 379 Q HN 0.468 nan 8.270 nan 0.000 0.493 380 R N 0.004 120.403 120.500 -0.169 0.000 2.133 380 R HA -0.187 4.153 4.340 -0.000 0.000 0.247 380 R C 1.811 178.021 176.300 -0.150 0.000 1.151 380 R CA 1.658 57.676 56.100 -0.136 0.000 0.971 380 R CB -0.683 29.468 30.300 -0.248 0.000 0.866 380 R HN 0.096 nan 8.270 nan 0.000 0.447 381 A N 2.235 124.958 122.820 -0.161 0.000 1.845 381 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 381 A C 2.326 179.830 177.584 -0.132 0.000 1.195 381 A CA 1.280 53.222 52.037 -0.158 0.000 0.616 381 A CB -0.704 18.224 19.000 -0.119 0.000 0.832 381 A HN 0.361 nan 8.150 nan 0.000 0.443 382 L N -0.930 120.250 121.223 -0.071 0.000 2.043 382 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 382 L C 2.423 179.312 176.870 0.032 0.000 1.075 382 L CA 1.491 56.320 54.840 -0.018 0.000 0.752 382 L CB -0.332 41.734 42.059 0.012 0.000 0.891 382 L HN 0.324 nan 8.230 nan 0.000 0.432 383 L N -0.055 121.199 121.223 0.053 0.000 2.079 383 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 383 L C 2.956 179.867 176.870 0.067 0.000 1.081 383 L CA 2.160 57.118 54.840 0.198 0.000 0.752 383 L CB -1.180 40.992 42.059 0.188 0.000 0.896 383 L HN 0.453 nan 8.230 nan 0.000 0.433 384 S N -1.877 113.609 115.700 -0.357 0.000 2.481 384 S HA -0.069 4.400 4.470 -0.000 0.000 0.231 384 S C 1.869 176.202 174.600 -0.446 0.000 0.996 384 S CA 0.699 58.291 58.200 -1.013 0.000 0.942 384 S CB -0.429 61.968 63.200 -1.339 0.000 0.768 384 S HN 0.437 nan 8.310 nan 0.000 0.520 385 L N -0.218 120.896 121.223 -0.181 0.000 2.354 385 L HA 0.309 4.649 4.340 -0.000 0.000 0.212 385 L C 2.183 179.053 176.870 -0.000 0.000 1.091 385 L CA 0.475 55.271 54.840 -0.074 0.000 0.828 385 L CB -0.200 41.824 42.059 -0.059 0.000 0.973 385 L HN 0.294 nan 8.230 nan 0.000 0.461 386 L N -2.004 119.255 121.223 0.061 0.000 2.425 386 L HA 0.179 4.519 4.340 -0.000 0.000 0.215 386 L C 0.363 177.222 176.870 -0.018 0.000 1.065 386 L CA 0.034 54.886 54.840 0.020 0.000 0.842 386 L CB 0.173 42.232 42.059 0.001 0.000 1.033 386 L HN -0.010 nan 8.230 nan 0.000 0.474 387 F N 0.623 120.660 119.950 0.144 0.000 2.378 387 F HA 0.222 4.749 4.527 -0.000 0.000 0.325 387 F C 1.271 177.222 175.800 0.252 0.000 1.097 387 F CA -0.874 57.254 58.000 0.213 0.000 1.079 387 F CB 1.041 40.241 39.000 0.333 0.000 1.240 387 F HN -0.127 nan 8.300 nan 0.000 0.519 388 S N 0.034 115.945 115.700 0.352 0.000 2.576 388 S HA 0.010 4.480 4.470 -0.000 0.000 0.272 388 S C 1.094 175.841 174.600 0.245 0.000 1.352 388 S CA -0.348 57.984 58.200 0.219 0.000 1.021 388 S CB 0.743 63.994 63.200 0.084 0.000 0.887 388 S HN 0.840 nan 8.310 nan 0.000 0.542 389 E N 0.984 121.219 120.200 0.059 0.000 2.153 389 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 389 E C 1.519 177.722 176.600 -0.662 0.000 0.988 389 E CA 1.570 57.758 56.400 -0.354 0.000 0.811 389 E CB -0.414 29.063 29.700 -0.371 0.000 0.746 389 E HN 0.840 nan 8.360 nan 0.000 0.466 390 T N -0.299 114.038 114.554 -0.362 0.000 2.857 390 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 390 T C 1.983 176.516 174.700 -0.278 0.000 1.048 390 T CA 1.196 63.108 62.100 -0.314 0.000 1.139 390 T CB -0.082 68.661 68.868 -0.208 0.000 0.874 390 T HN 0.081 nan 8.240 nan 0.000 0.455 391 S N 0.964 116.504 115.700 -0.266 0.000 2.355 391 S HA -0.055 4.415 4.470 -0.000 0.000 0.222 391 S C 1.901 175.945 174.600 -0.927 0.000 1.031 391 S CA 1.107 58.995 58.200 -0.521 0.000 0.993 391 S CB -0.348 62.678 63.200 -0.290 0.000 0.859 391 S HN 0.821 nan 8.310 nan 0.000 0.453 392 W N 1.196 122.226 121.300 -0.450 0.000 2.584 392 W HA 0.066 4.726 4.660 -0.000 0.000 0.264 392 W C 1.384 177.998 176.519 0.159 0.000 1.264 392 W CA 0.571 57.821 57.345 -0.158 0.000 1.306 392 W CB -0.923 28.637 29.460 0.167 0.000 1.110 392 W HN 0.351 nan 8.180 nan 0.000 0.606 393 H N -0.238 118.527 119.070 -0.509 0.000 2.357 393 H HA -0.136 4.420 4.556 -0.000 0.000 0.301 393 H C 1.866 177.220 175.328 0.042 0.000 1.082 393 H CA 2.348 58.216 56.048 -0.300 0.000 1.342 393 H CB -1.042 28.486 29.762 -0.390 0.000 1.389 393 H HN 0.198 nan 8.280 nan 0.000 0.511 394 Y N 0.079 120.332 120.300 -0.078 0.000 2.163 394 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 394 Y C 2.006 178.013 175.900 0.178 0.000 1.136 394 Y CA 1.425 59.491 58.100 -0.057 0.000 1.147 394 Y CB -0.702 37.662 38.460 -0.160 0.000 0.987 394 Y HN 0.158 nan 8.280 nan 0.000 0.509 395 F N -1.154 118.911 119.950 0.191 0.000 2.095 395 F HA -0.310 4.217 4.527 -0.000 0.000 0.298 395 F C 2.297 178.152 175.800 0.091 0.000 1.104 395 F CA 0.673 58.737 58.000 0.106 0.000 1.232 395 F CB -0.580 38.497 39.000 0.129 0.000 0.987 395 F HN 0.184 nan 8.300 nan 0.000 0.475 396 L N 0.346 121.799 121.223 0.384 0.000 2.012 396 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 396 L C 2.214 179.141 176.870 0.095 0.000 1.073 396 L CA 2.038 57.033 54.840 0.258 0.000 0.748 396 L CB -1.079 41.133 42.059 0.254 0.000 0.891 396 L HN 0.032 nan 8.230 nan 0.000 0.431 397 H N -1.106 117.918 119.070 -0.077 0.000 2.352 397 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 397 H C 2.156 177.392 175.328 -0.153 0.000 1.097 397 H CA 1.940 57.898 56.048 -0.151 0.000 1.311 397 H CB -0.149 29.494 29.762 -0.197 0.000 1.377 397 H HN 0.209 nan 8.280 nan 0.000 0.504 398 I N -0.073 120.456 120.570 -0.070 0.000 2.179 398 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 398 I C 2.148 178.259 176.117 -0.010 0.000 1.088 398 I CA 1.216 62.465 61.300 -0.085 0.000 1.357 398 I CB -1.126 36.810 38.000 -0.106 0.000 1.051 398 I HN 0.137 nan 8.210 nan 0.000 0.409 399 S N 0.574 116.298 115.700 0.040 0.000 2.465 399 S HA -0.050 4.420 4.470 -0.000 0.000 0.241 399 S C 1.728 176.307 174.600 -0.035 0.000 1.000 399 S CA 0.860 59.093 58.200 0.055 0.000 0.964 399 S CB -0.190 63.141 63.200 0.218 0.000 0.763 399 S HN 0.395 nan 8.310 nan 0.000 0.512 400 L N 0.038 121.229 121.223 -0.053 0.000 2.808 400 L HA 0.309 4.649 4.340 -0.000 0.000 0.246 400 L C 1.299 178.121 176.870 -0.080 0.000 1.153 400 L CA -0.012 54.763 54.840 -0.109 0.000 0.956 400 L CB -0.058 41.911 42.059 -0.150 0.000 1.270 400 L HN 0.359 nan 8.230 nan 0.000 0.528 401 G N 1.454 110.231 108.800 -0.039 0.000 2.273 401 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.280 401 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.280 401 G C -0.015 174.869 174.900 -0.026 0.000 1.047 401 G CA 0.219 45.314 45.100 -0.008 0.000 0.869 401 G HN 0.265 nan 8.290 nan 0.000 0.502 402 L N -0.710 120.490 121.223 -0.039 0.000 2.344 402 L HA 0.878 5.218 4.340 -0.000 0.000 0.272 402 L C 0.953 177.832 176.870 0.015 0.000 1.035 402 L CA -0.201 54.624 54.840 -0.025 0.000 0.807 402 L CB 1.883 43.898 42.059 -0.073 0.000 1.237 402 L HN 0.441 nan 8.230 nan 0.000 0.442 403 G N -0.226 108.584 108.800 0.017 0.000 2.428 403 G HA2 0.226 4.186 3.960 -0.000 0.000 0.304 403 G HA3 0.226 4.186 3.960 -0.000 0.000 0.304 403 G C -1.579 173.299 174.900 -0.035 0.000 1.303 403 G CA -0.622 44.478 45.100 0.001 0.000 0.825 403 G HN 0.377 nan 8.290 nan 0.000 0.484 404 S N 0.419 116.064 115.700 -0.091 0.000 2.515 404 S HA 0.324 4.794 4.470 -0.000 0.000 0.285 404 S C 1.632 176.135 174.600 -0.161 0.000 1.265 404 S CA 0.542 58.620 58.200 -0.203 0.000 1.079 404 S CB 1.015 64.020 63.200 -0.325 0.000 0.877 404 S HN 1.079 nan 8.310 nan 0.000 0.493 405 T N -0.196 114.278 114.554 -0.133 0.000 3.129 405 T HA 0.058 4.408 4.350 -0.000 0.000 0.251 405 T C 0.414 175.134 174.700 0.034 0.000 1.117 405 T CA 0.008 62.094 62.100 -0.023 0.000 1.034 405 T CB -0.499 68.387 68.868 0.030 0.000 0.968 405 T HN 0.855 nan 8.240 nan 0.000 0.526 406 H N -1.036 118.040 119.070 0.010 0.000 3.016 406 H HA 0.431 4.987 4.556 -0.000 0.000 0.362 406 H C -1.218 174.103 175.328 -0.011 0.000 1.233 406 H CA -1.373 54.682 56.048 0.010 0.000 1.124 406 H CB 0.768 30.536 29.762 0.010 0.000 1.850 406 H HN 0.008 nan 8.280 nan 0.000 0.549 407 L N 2.598 123.905 121.223 0.141 0.000 2.477 407 L HA 0.092 4.432 4.340 -0.000 0.000 0.272 407 L C 0.360 177.288 176.870 0.096 0.000 1.157 407 L CA 0.269 55.132 54.840 0.038 0.000 0.889 407 L CB 0.488 42.582 42.059 0.059 0.000 1.158 407 L HN 0.615 nan 8.230 nan 0.000 0.473 408 T N 4.420 118.936 114.554 -0.063 0.000 2.889 408 T HA 0.436 4.786 4.350 -0.000 0.000 0.291 408 T C 0.334 175.011 174.700 -0.038 0.000 0.995 408 T CA -0.512 61.573 62.100 -0.025 0.000 1.092 408 T CB 1.170 69.980 68.868 -0.097 0.000 0.954 408 T HN 0.523 nan 8.240 nan 0.000 0.506 414 K N 0.157 120.641 120.400 0.140 0.000 2.360 414 K HA 0.261 4.581 4.320 -0.000 0.000 0.196 414 K C 0.337 177.183 176.600 0.410 0.000 1.049 414 K CA 1.271 57.703 56.287 0.240 0.000 1.049 414 K CB 0.684 33.257 32.500 0.121 0.000 0.881 414 K HN 0.699 nan 8.250 nan 0.000 0.542 415 S N -1.174 114.810 115.700 0.473 0.000 2.622 415 S HA 0.610 5.080 4.470 -0.000 0.000 0.275 415 S C -1.464 173.352 174.600 0.360 0.000 1.112 415 S CA -0.896 57.588 58.200 0.472 0.000 0.837 415 S CB 0.678 63.970 63.200 0.153 0.000 1.082 415 S HN 0.034 nan 8.310 nan 0.000 0.456 416 M N 2.624 122.449 119.600 0.374 0.000 2.167 416 M HA 0.597 5.077 4.480 -0.000 0.000 0.333 416 M C -0.387 175.985 176.300 0.120 0.000 1.030 416 M CA -0.316 55.110 55.300 0.210 0.000 0.963 416 M CB 1.336 34.080 32.600 0.239 0.000 1.589 416 M HN 0.893 nan 8.290 nan 0.000 0.431 417 S N 2.792 118.535 115.700 0.072 0.000 2.542 417 S HA 0.865 5.335 4.470 -0.000 0.000 0.293 417 S C -1.371 173.252 174.600 0.039 0.000 1.089 417 S CA -0.530 57.700 58.200 0.049 0.000 0.961 417 S CB 1.606 64.823 63.200 0.030 0.000 1.062 417 S HN 0.482 nan 8.310 nan 0.000 0.483 418 V N 3.975 123.915 119.914 0.044 0.000 2.612 418 V HA 0.551 4.671 4.120 -0.000 0.000 0.301 418 V C -0.661 175.468 176.094 0.059 0.000 1.059 418 V CA -0.598 61.730 62.300 0.047 0.000 0.886 418 V CB 1.689 33.541 31.823 0.048 0.000 1.007 418 V HN 0.944 nan 8.190 nan 0.000 0.426 419 E N 3.014 123.251 120.200 0.062 0.000 2.392 419 E HA 0.775 5.125 4.350 -0.000 0.000 0.269 419 E C -0.956 175.705 176.600 0.100 0.000 0.924 419 E CA -1.111 55.336 56.400 0.077 0.000 0.784 419 E CB 3.318 33.052 29.700 0.057 0.000 1.292 419 E HN 0.512 nan 8.360 nan 0.000 0.447 420 R N 0.738 121.312 120.500 0.124 0.000 2.535 420 R HA 0.293 4.633 4.340 -0.000 0.000 0.274 420 R C -1.512 174.818 176.300 0.049 0.000 1.090 420 R CA -0.295 55.903 56.100 0.164 0.000 0.930 420 R CB 2.186 32.647 30.300 0.269 0.000 1.223 420 R HN 0.530 nan 8.270 nan 0.000 0.441 421 T N 3.378 117.912 114.554 -0.032 0.000 2.929 421 T HA 0.803 5.153 4.350 -0.000 0.000 0.284 421 T C -1.203 173.384 174.700 -0.189 0.000 1.014 421 T CA -0.291 61.606 62.100 -0.338 0.000 1.051 421 T CB 0.536 69.317 68.868 -0.145 0.000 1.028 421 T HN 0.384 nan 8.240 nan 0.000 0.485 422 F N -0.292 119.707 119.950 0.081 0.000 2.807 422 F HA 0.592 5.119 4.527 -0.000 0.000 0.316 422 F C -0.249 175.573 175.800 0.037 0.000 1.162 422 F CA -1.489 56.562 58.000 0.084 0.000 0.910 422 F CB 0.342 39.381 39.000 0.065 0.000 1.314 422 F HN 0.506 nan 8.300 nan 0.000 0.454 423 S N -0.393 115.481 115.700 0.290 0.000 2.576 423 S HA 0.240 4.710 4.470 -0.000 0.000 0.276 423 S C -0.120 174.615 174.600 0.225 0.000 1.339 423 S CA -0.337 57.946 58.200 0.138 0.000 1.039 423 S CB 0.949 64.169 63.200 0.033 0.000 0.902 423 S HN 1.019 nan 8.310 nan 0.000 0.516 424 E N 1.057 121.325 120.200 0.112 0.000 3.326 424 E HA -0.157 4.193 4.350 -0.000 0.000 0.285 424 E C -0.978 175.687 176.600 0.108 0.000 0.864 424 E CA 0.682 57.146 56.400 0.106 0.000 0.984 424 E CB 0.004 29.714 29.700 0.017 0.000 0.952 424 E HN 0.642 nan 8.360 nan 0.000 0.525 425 I N 5.440 126.074 120.570 0.107 0.000 2.468 425 I HA 0.125 4.295 4.170 -0.000 0.000 0.284 425 I C 0.600 176.722 176.117 0.008 0.000 1.038 425 I CA -0.774 60.523 61.300 -0.006 0.000 1.083 425 I CB 1.399 39.288 38.000 -0.186 0.000 1.223 425 I HN 0.575 nan 8.210 nan 0.000 0.443 426 N N 4.765 123.467 118.700 0.002 0.000 2.258 426 N HA 0.028 4.768 4.740 -0.000 0.000 0.183 426 N C 0.191 175.709 175.510 0.013 0.000 1.029 426 N CA 0.460 53.517 53.050 0.012 0.000 0.857 426 N CB 0.141 38.637 38.487 0.015 0.000 1.008 426 N HN 0.480 nan 8.380 nan 0.000 0.433 427 K N 1.788 122.193 120.400 0.009 0.000 2.440 427 K HA 0.028 4.348 4.320 -0.000 0.000 0.275 427 K C 0.838 177.449 176.600 0.019 0.000 1.082 427 K CA -0.228 56.074 56.287 0.024 0.000 1.135 427 K CB 0.474 32.985 32.500 0.020 0.000 0.864 427 K HN 0.187 nan 8.250 nan 0.000 0.479 428 A N 4.237 127.085 122.820 0.047 0.000 2.121 428 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 428 A C 1.311 178.961 177.584 0.110 0.000 1.154 428 A CA 1.106 53.147 52.037 0.006 0.000 0.679 428 A CB -0.143 18.898 19.000 0.069 0.000 0.795 428 A HN 0.823 nan 8.150 nan 0.000 0.458 429 E N -0.477 119.811 120.200 0.147 0.000 2.489 429 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 429 E C 0.990 177.659 176.600 0.114 0.000 1.057 429 E CA 0.448 56.958 56.400 0.184 0.000 0.866 429 E CB 0.143 29.918 29.700 0.125 0.000 0.916 429 E HN 0.719 nan 8.360 nan 0.000 0.500 430 E N -0.123 120.107 120.200 0.049 0.000 2.485 430 E HA 0.035 4.385 4.350 -0.000 0.000 0.213 430 E C 1.461 178.036 176.600 -0.042 0.000 0.923 430 E CA 0.003 56.398 56.400 -0.008 0.000 1.054 430 E CB 0.440 30.107 29.700 -0.055 0.000 1.077 430 E HN 0.136 nan 8.360 nan 0.000 0.509 431 Q N -0.209 119.564 119.800 -0.045 0.000 2.137 431 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 431 Q C 1.287 177.261 176.000 -0.042 0.000 0.960 431 Q CA 1.145 56.888 55.803 -0.100 0.000 0.847 431 Q CB 0.086 28.722 28.738 -0.170 0.000 0.915 431 Q HN 0.320 nan 8.270 nan 0.000 0.448 432 Y N 0.125 120.480 120.300 0.091 0.000 2.200 432 Y HA -0.229 4.321 4.550 0.000 0.000 0.290 432 Y C 2.791 178.806 175.900 0.191 0.000 1.137 432 Y CA 1.234 59.455 58.100 0.203 0.000 1.163 432 Y CB -0.021 38.556 38.460 0.194 0.000 0.988 432 Y HN 0.201 nan 8.280 nan 0.000 0.518 433 S N -0.228 115.596 115.700 0.207 0.000 2.406 433 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 433 S C 1.871 176.459 174.600 -0.020 0.000 1.020 433 S CA 1.044 59.269 58.200 0.042 0.000 0.965 433 S CB -0.722 62.489 63.200 0.018 0.000 0.798 433 S HN 0.395 nan 8.310 nan 0.000 0.488 434 L N 1.394 122.613 121.223 -0.007 0.000 2.156 434 L HA 0.168 4.508 4.340 -0.000 0.000 0.208 434 L C 2.540 179.425 176.870 0.024 0.000 1.095 434 L CA 1.254 56.074 54.840 -0.033 0.000 0.770 434 L CB -1.052 40.942 42.059 -0.107 0.000 0.914 434 L HN 0.572 nan 8.230 nan 0.000 0.439 435 C N 0.275 119.634 119.300 0.098 0.000 2.440 435 C HA -0.134 4.326 4.460 -0.000 0.000 0.278 435 C C 2.830 177.909 174.990 0.147 0.000 1.295 435 C CA 1.141 60.280 59.018 0.201 0.000 1.738 435 C CB -0.935 27.033 27.740 0.380 0.000 1.987 435 C HN 0.849 nan 8.230 nan 0.000 0.492 436 Q N 0.290 119.994 119.800 -0.159 0.000 2.269 436 Q HA 0.031 4.371 4.340 -0.000 0.000 0.201 436 Q C 1.725 177.579 176.000 -0.244 0.000 0.946 436 Q CA 1.479 56.944 55.803 -0.563 0.000 0.877 436 Q CB -0.614 27.274 28.738 -1.417 0.000 0.963 436 Q HN 0.638 nan 8.270 nan 0.000 0.472 437 E N 0.946 121.062 120.200 -0.141 0.000 2.077 437 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 437 E C 1.955 178.538 176.600 -0.029 0.000 0.989 437 E CA 1.289 57.644 56.400 -0.075 0.000 0.800 437 E CB -0.122 29.552 29.700 -0.044 0.000 0.746 437 E HN 0.402 nan 8.360 nan 0.000 0.452 438 L N 0.277 121.504 121.223 0.006 0.000 2.056 438 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 438 L C 2.648 179.544 176.870 0.044 0.000 1.078 438 L CA 0.687 55.552 54.840 0.042 0.000 0.749 438 L CB -0.387 41.718 42.059 0.077 0.000 0.901 438 L HN 0.307 nan 8.230 nan 0.000 0.433 439 C N -0.451 118.879 119.300 0.049 0.000 2.429 439 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 439 C C 3.320 178.332 174.990 0.036 0.000 1.262 439 C CA 1.330 60.391 59.018 0.072 0.000 1.733 439 C CB -0.767 27.055 27.740 0.137 0.000 2.010 439 C HN 0.704 nan 8.230 nan 0.000 0.483 440 S N 0.477 116.172 115.700 -0.009 0.000 2.395 440 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 440 S C 1.555 176.153 174.600 -0.003 0.000 1.027 440 S CA 1.218 59.411 58.200 -0.012 0.000 0.965 440 S CB -0.666 62.508 63.200 -0.043 0.000 0.812 440 S HN 0.725 nan 8.310 nan 0.000 0.482 441 E N -0.020 120.178 120.200 -0.003 0.000 2.520 441 E HA 0.056 4.406 4.350 -0.000 0.000 0.201 441 E C 1.123 177.729 176.600 0.010 0.000 1.122 441 E CA 0.182 56.582 56.400 -0.000 0.000 0.896 441 E CB -0.003 29.700 29.700 0.005 0.000 0.891 441 E HN 0.541 nan 8.360 nan 0.000 0.533 442 L N -1.677 119.560 121.223 0.022 0.000 2.806 442 L HA 0.357 4.697 4.340 -0.000 0.000 0.242 442 L C 1.767 178.661 176.870 0.040 0.000 1.068 442 L CA 0.938 55.800 54.840 0.037 0.000 0.923 442 L CB -0.067 42.026 42.059 0.056 0.000 1.364 442 L HN 0.011 nan 8.230 nan 0.000 0.511 443 A N -0.457 122.385 122.820 0.036 0.000 1.930 443 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 443 A C 2.049 179.645 177.584 0.020 0.000 1.175 443 A CA 1.698 53.757 52.037 0.037 0.000 0.627 443 A CB -0.447 18.573 19.000 0.034 0.000 0.815 443 A HN 0.604 nan 8.150 nan 0.000 0.443 444 Q N -0.424 119.381 119.800 0.007 0.000 2.170 444 Q HA -0.148 4.192 4.340 -0.000 0.000 0.203 444 Q C 1.086 177.079 176.000 -0.011 0.000 0.976 444 Q CA 1.443 57.243 55.803 -0.005 0.000 0.858 444 Q CB -0.056 28.674 28.738 -0.014 0.000 0.907 444 Q HN 0.614 nan 8.270 nan 0.000 0.433 445 D N -0.259 120.136 120.400 -0.009 0.000 2.271 445 D HA -0.032 4.608 4.640 -0.000 0.000 0.206 445 D C 1.973 178.267 176.300 -0.010 0.000 0.967 445 D CA 0.851 54.840 54.000 -0.018 0.000 0.867 445 D CB 0.237 41.025 40.800 -0.019 0.000 0.960 445 D HN 0.242 nan 8.370 nan 0.000 0.509 446 L N 1.333 122.565 121.223 0.014 0.000 2.291 446 L HA 0.021 4.361 4.340 -0.000 0.000 0.214 446 L C 1.995 178.868 176.870 0.006 0.000 1.120 446 L CA 1.378 56.232 54.840 0.023 0.000 0.799 446 L CB -1.570 40.538 42.059 0.081 0.000 0.925 446 L HN 0.107 nan 8.230 nan 0.000 0.446 447 Q N -1.012 118.791 119.800 0.005 0.000 2.297 447 Q HA 0.155 4.495 4.340 -0.000 0.000 0.265 447 Q C 0.654 176.649 176.000 -0.010 0.000 0.904 447 Q CA 0.181 55.985 55.803 0.001 0.000 0.969 447 Q CB -0.188 28.553 28.738 0.006 0.000 1.115 447 Q HN 0.754 nan 8.270 nan 0.000 0.433 448 K N 0.147 120.535 120.400 -0.021 0.000 2.582 448 K HA 0.235 4.555 4.320 -0.000 0.000 0.204 448 K C -0.871 175.707 176.600 -0.036 0.000 1.221 448 K CA 0.085 56.357 56.287 -0.024 0.000 1.048 448 K CB 1.093 33.579 32.500 -0.023 0.000 1.011 448 K HN 0.268 nan 8.250 nan 0.000 0.597 449 E N -1.348 118.822 120.200 -0.049 0.000 2.423 449 E HA 0.288 4.638 4.350 -0.000 0.000 0.280 449 E C 0.380 176.939 176.600 -0.068 0.000 1.030 449 E CA -0.350 56.006 56.400 -0.073 0.000 0.812 449 E CB 1.119 30.750 29.700 -0.115 0.000 1.313 449 E HN 0.033 nan 8.360 nan 0.000 0.456 450 R N 0.592 121.050 120.500 -0.070 0.000 2.070 450 R HA 0.068 4.408 4.340 -0.000 0.000 0.232 450 R C 1.906 178.183 176.300 -0.039 0.000 1.138 450 R CA 2.015 58.091 56.100 -0.040 0.000 0.936 450 R CB -1.954 28.329 30.300 -0.028 0.000 0.839 450 R HN 1.080 nan 8.270 nan 0.000 0.429 451 L N 0.164 121.309 121.223 -0.129 0.000 3.963 451 L HA 0.274 4.614 4.340 -0.000 0.000 0.522 451 L C 0.534 177.530 176.870 0.210 0.000 1.097 451 L CA 1.930 56.655 54.840 -0.191 0.000 0.727 451 L CB -3.203 38.614 42.059 -0.405 0.000 1.193 451 L HN 1.325 nan 8.230 nan 0.000 0.757 452 K N 0.952 121.532 120.400 0.299 0.000 2.156 452 K HA 0.994 5.314 4.320 -0.000 0.000 0.254 452 K C 0.691 177.473 176.600 0.304 0.000 0.950 452 K CA 0.140 56.572 56.287 0.241 0.000 0.849 452 K CB 1.947 34.523 32.500 0.127 0.000 1.100 452 K HN 2.489 nan 8.250 nan 0.000 0.434 453 G N -1.426 107.442 108.800 0.113 0.000 2.788 453 G HA2 0.618 4.578 3.960 -0.000 0.000 0.293 453 G HA3 0.618 4.578 3.960 -0.000 0.000 0.293 453 G C -0.377 174.477 174.900 -0.077 0.000 1.392 453 G CA 0.261 45.312 45.100 -0.081 0.000 0.810 453 G HN 1.214 nan 8.290 nan 0.000 0.508 454 R N -0.393 120.032 120.500 -0.125 0.000 2.661 454 R HA 0.690 5.030 4.340 -0.000 0.000 0.429 454 R C -0.140 176.104 176.300 -0.093 0.000 1.044 454 R CA 0.190 56.243 56.100 -0.079 0.000 1.065 454 R CB 0.032 30.301 30.300 -0.051 0.000 1.377 454 R HN 0.729 nan 8.270 nan 0.000 0.600 455 T N 0.304 114.784 114.554 -0.123 0.000 3.348 455 T HA 0.333 4.683 4.350 -0.000 0.000 0.328 455 T C -1.156 173.490 174.700 -0.090 0.000 0.913 455 T CA -0.331 61.706 62.100 -0.105 0.000 1.043 455 T CB 1.245 70.034 68.868 -0.131 0.000 1.021 455 T HN 0.115 nan 8.240 nan 0.000 0.461 456 V N 3.837 123.721 119.914 -0.049 0.000 2.350 456 V HA 0.557 4.677 4.120 -0.000 0.000 0.276 456 V C 0.356 176.441 176.094 -0.015 0.000 1.028 456 V CA -0.379 61.907 62.300 -0.024 0.000 0.860 456 V CB 1.450 33.271 31.823 -0.003 0.000 0.990 456 V HN 0.869 nan 8.190 nan 0.000 0.453 457 T N 6.334 120.883 114.554 -0.008 0.000 2.856 457 T HA 0.678 5.027 4.350 -0.000 0.000 0.283 457 T C -0.347 174.363 174.700 0.016 0.000 1.008 457 T CA -0.299 61.800 62.100 -0.001 0.000 0.997 457 T CB 1.680 70.545 68.868 -0.005 0.000 0.992 457 T HN 0.359 nan 8.240 nan 0.000 0.454 458 I N 2.187 122.768 120.570 0.018 0.000 2.530 458 I HA 0.504 4.674 4.170 -0.000 0.000 0.297 458 I C -0.182 175.952 176.117 0.029 0.000 1.011 458 I CA -0.896 60.422 61.300 0.030 0.000 1.107 458 I CB 2.066 40.083 38.000 0.027 0.000 1.285 458 I HN 0.351 nan 8.210 nan 0.000 0.436 459 K N 7.102 127.525 120.400 0.038 0.000 2.397 459 K HA 0.710 5.030 4.320 -0.000 0.000 0.253 459 K C -1.937 174.689 176.600 0.043 0.000 0.932 459 K CA -0.542 55.767 56.287 0.037 0.000 0.795 459 K CB 1.552 34.074 32.500 0.037 0.000 1.159 459 K HN 0.519 nan 8.250 nan 0.000 0.424 460 L N 3.590 124.835 121.223 0.035 0.000 2.410 460 L HA 0.510 4.850 4.340 -0.000 0.000 0.270 460 L C -0.823 176.060 176.870 0.021 0.000 0.983 460 L CA -0.859 54.003 54.840 0.037 0.000 0.822 460 L CB 2.138 44.217 42.059 0.033 0.000 1.285 460 L HN 0.552 nan 8.230 nan 0.000 0.409 461 K N 2.917 123.318 120.400 0.003 0.000 2.450 461 K HA 0.381 4.701 4.320 -0.000 0.000 0.257 461 K C -0.934 175.631 176.600 -0.059 0.000 0.953 461 K CA -0.611 55.665 56.287 -0.018 0.000 0.844 461 K CB 1.189 33.675 32.500 -0.023 0.000 1.103 461 K HN 0.713 nan 8.250 nan 0.000 0.429 462 N N 2.014 120.676 118.700 -0.063 0.000 2.478 462 N HA 0.052 4.792 4.740 -0.000 0.000 0.275 462 N C 1.007 176.384 175.510 -0.222 0.000 1.221 462 N CA -0.674 52.318 53.050 -0.097 0.000 0.979 462 N CB 0.444 38.897 38.487 -0.056 0.000 1.202 462 N HN 0.151 nan 8.380 nan 0.000 0.564 463 V N 0.319 120.101 119.914 -0.220 0.000 2.311 463 V HA -0.317 3.803 4.120 -0.000 0.000 0.256 463 V C 1.519 177.352 176.094 -0.434 0.000 1.077 463 V CA 2.058 64.165 62.300 -0.322 0.000 1.067 463 V CB -0.797 30.919 31.823 -0.177 0.000 0.659 463 V HN 0.681 nan 8.190 nan 0.000 0.451 464 N N -1.450 117.115 118.700 -0.225 0.000 2.515 464 N HA 0.001 4.741 4.740 -0.000 0.000 0.185 464 N C 0.607 176.169 175.510 0.087 0.000 1.109 464 N CA 0.708 53.717 53.050 -0.070 0.000 0.903 464 N CB 0.203 38.690 38.487 0.000 0.000 0.969 464 N HN 0.594 nan 8.380 nan 0.000 0.450 465 F N -0.293 119.651 119.950 -0.011 0.000 2.536 465 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 465 F C -0.162 175.636 175.800 -0.004 0.000 0.654 465 F CA -0.001 57.994 58.000 -0.009 0.000 1.632 465 F CB -1.751 37.246 39.000 -0.005 0.000 2.021 465 F HN -0.053 nan 8.300 nan 0.000 0.311 466 E N 1.170 121.431 120.200 0.103 0.000 2.301 466 E HA 0.550 4.900 4.350 -0.000 0.000 0.275 466 E C -0.073 176.557 176.600 0.049 0.000 1.030 466 E CA -0.598 55.845 56.400 0.073 0.000 0.852 466 E CB 2.127 31.853 29.700 0.043 0.000 1.060 466 E HN 0.167 nan 8.360 nan 0.000 0.401 467 V N -0.260 119.685 119.914 0.051 0.000 2.555 467 V HA 0.566 4.686 4.120 -0.000 0.000 0.302 467 V C -0.515 175.598 176.094 0.031 0.000 1.038 467 V CA -0.863 61.461 62.300 0.040 0.000 0.887 467 V CB 1.463 33.315 31.823 0.048 0.000 0.991 467 V HN 0.536 nan 8.190 nan 0.000 0.434 468 K N 2.298 122.713 120.400 0.026 0.000 2.340 468 K HA 0.824 5.144 4.320 -0.000 0.000 0.244 468 K C -0.923 175.690 176.600 0.022 0.000 0.973 468 K CA -0.720 55.581 56.287 0.023 0.000 0.828 468 K CB 2.486 34.998 32.500 0.019 0.000 1.226 468 K HN 0.874 nan 8.250 nan 0.000 0.437 469 T N 2.109 116.674 114.554 0.019 0.000 3.071 469 T HA 0.423 4.772 4.350 -0.000 0.000 0.311 469 T C -1.220 173.487 174.700 0.012 0.000 1.042 469 T CA -0.964 61.146 62.100 0.017 0.000 1.028 469 T CB 1.052 69.931 68.868 0.017 0.000 1.068 469 T HN 0.356 nan 8.240 nan 0.000 0.451 470 R N 1.360 121.866 120.500 0.010 0.000 2.744 470 R HA 0.946 5.286 4.340 -0.000 0.000 0.279 470 R C -1.092 175.208 176.300 0.001 0.000 0.977 470 R CA -1.003 55.100 56.100 0.005 0.000 0.906 470 R CB 1.961 32.264 30.300 0.004 0.000 1.197 470 R HN 0.765 nan 8.270 nan 0.000 0.463 471 A N 0.401 123.218 122.820 -0.004 0.000 2.572 471 A HA 0.750 5.070 4.320 -0.000 0.000 0.295 471 A C -1.157 176.419 177.584 -0.014 0.000 1.072 471 A CA -0.596 51.434 52.037 -0.010 0.000 0.691 471 A CB 1.968 20.959 19.000 -0.015 0.000 1.291 471 A HN 0.507 nan 8.150 nan 0.000 0.404 472 S N 0.537 116.226 115.700 -0.019 0.000 2.605 472 S HA 0.688 5.158 4.470 -0.000 0.000 0.308 472 S C -0.165 174.419 174.600 -0.026 0.000 1.113 472 S CA -0.339 57.849 58.200 -0.020 0.000 1.049 472 S CB 1.628 64.816 63.200 -0.020 0.000 1.001 472 S HN 0.795 nan 8.310 nan 0.000 0.480 477 V N -0.223 119.692 119.914 0.002 0.000 3.068 477 V HA 0.434 4.554 4.120 -0.000 0.000 0.441 477 V C -0.093 176.013 176.094 0.020 0.000 0.682 477 V CA 0.167 62.475 62.300 0.013 0.000 1.972 477 V CB -1.616 30.222 31.823 0.024 0.000 2.455 477 V HN 2.016 nan 8.190 nan 0.000 0.490 478 V N 2.952 122.879 119.914 0.021 0.000 2.326 478 V HA 1.021 5.141 4.120 -0.000 0.000 0.281 478 V C 0.986 177.108 176.094 0.046 0.000 1.015 478 V CA 0.769 63.087 62.300 0.030 0.000 0.823 478 V CB 1.091 32.928 31.823 0.025 0.000 1.009 478 V HN 2.426 nan 8.190 nan 0.000 0.436 479 S N 3.225 118.955 115.700 0.051 0.000 2.441 479 S HA 0.500 4.970 4.470 -0.000 0.000 0.224 479 S C 1.267 175.902 174.600 0.058 0.000 1.043 479 S CA 1.564 59.801 58.200 0.061 0.000 0.948 479 S CB 0.052 63.284 63.200 0.054 0.000 0.810 479 S HN 1.539 nan 8.310 nan 0.000 0.504 480 T N -0.596 113.989 114.554 0.051 0.000 2.893 480 T HA 0.746 5.096 4.350 -0.000 0.000 0.279 480 T C 1.399 176.137 174.700 0.063 0.000 0.991 480 T CA 0.095 62.225 62.100 0.049 0.000 0.950 480 T CB 0.064 68.955 68.868 0.038 0.000 1.223 480 T HN 0.535 nan 8.240 nan 0.000 0.585 481 A N -0.206 122.646 122.820 0.054 0.000 2.019 481 A HA 0.296 4.616 4.320 -0.000 0.000 0.219 481 A C 2.378 180.033 177.584 0.118 0.000 1.164 481 A CA 2.216 54.293 52.037 0.067 0.000 0.644 481 A CB -1.313 17.693 19.000 0.011 0.000 0.805 481 A HN 1.058 nan 8.150 nan 0.000 0.449 482 E N -0.807 119.447 120.200 0.091 0.000 2.015 482 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 482 E C 1.978 178.645 176.600 0.111 0.000 0.991 482 E CA 1.980 58.445 56.400 0.108 0.000 0.802 482 E CB -1.286 28.454 29.700 0.066 0.000 0.759 482 E HN 0.889 nan 8.360 nan 0.000 0.447 483 E N -0.597 119.650 120.200 0.078 0.000 2.418 483 E HA 0.347 4.697 4.350 -0.000 0.000 0.197 483 E C 1.689 178.330 176.600 0.068 0.000 1.026 483 E CA 1.307 57.743 56.400 0.060 0.000 0.862 483 E CB -0.620 29.107 29.700 0.044 0.000 0.799 483 E HN 1.303 nan 8.360 nan 0.000 0.518 484 I N -1.927 118.705 120.570 0.103 0.000 3.936 484 I HA 0.667 4.837 4.170 -0.000 0.000 0.330 484 I C 1.399 177.628 176.117 0.188 0.000 1.509 484 I CA 0.130 61.496 61.300 0.109 0.000 1.126 484 I CB -0.395 37.661 38.000 0.095 0.000 1.115 484 I HN 0.370 nan 8.210 nan 0.000 0.424 485 F N 0.328 120.295 119.950 0.028 0.000 2.784 485 F HA 0.612 5.139 4.527 -0.000 0.000 0.323 485 F C 1.943 177.767 175.800 0.039 0.000 1.085 485 F CA 0.584 58.608 58.000 0.040 0.000 1.196 485 F CB 0.133 39.156 39.000 0.039 0.000 1.053 485 F HN 0.132 nan 8.300 nan 0.000 0.578 486 A N 0.633 123.443 122.820 -0.017 0.000 1.970 486 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 486 A C 2.044 179.567 177.584 -0.102 0.000 1.170 486 A CA 1.694 53.677 52.037 -0.089 0.000 0.645 486 A CB -0.716 18.278 19.000 -0.010 0.000 0.816 486 A HN 0.402 nan 8.150 nan 0.000 0.447 487 I N -1.129 119.410 120.570 -0.053 0.000 2.867 487 I HA -0.009 4.161 4.170 -0.000 0.000 0.265 487 I C 2.732 178.819 176.117 -0.051 0.000 1.162 487 I CA 0.752 62.026 61.300 -0.042 0.000 1.471 487 I CB -0.141 37.850 38.000 -0.014 0.000 1.123 487 I HN 0.290 nan 8.210 nan 0.000 0.440 488 A N 2.205 124.998 122.820 -0.045 0.000 1.898 488 A HA -0.181 4.139 4.320 -0.000 0.000 0.214 488 A C 2.345 179.877 177.584 -0.087 0.000 1.183 488 A CA 1.585 53.611 52.037 -0.019 0.000 0.622 488 A CB -0.443 18.612 19.000 0.092 0.000 0.824 488 A HN 0.468 nan 8.150 nan 0.000 0.444 489 K N -0.606 119.615 120.400 -0.298 0.000 2.147 489 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 489 K C 1.330 177.902 176.600 -0.046 0.000 1.049 489 K CA 1.518 57.652 56.287 -0.256 0.000 0.936 489 K CB -0.172 31.886 32.500 -0.737 0.000 0.722 489 K HN 0.274 nan 8.250 nan 0.000 0.446 490 E N 1.366 121.509 120.200 -0.096 0.000 2.107 490 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 490 E C 2.184 178.773 176.600 -0.018 0.000 0.982 490 E CA 0.819 57.192 56.400 -0.044 0.000 0.809 490 E CB -0.173 29.492 29.700 -0.059 0.000 0.756 490 E HN 0.380 nan 8.360 nan 0.000 0.459 491 L N 0.329 121.537 121.223 -0.026 0.000 2.027 491 L HA -0.178 4.162 4.340 -0.000 0.000 0.206 491 L C 2.552 179.414 176.870 -0.013 0.000 1.074 491 L CA 0.638 55.469 54.840 -0.014 0.000 0.745 491 L CB -0.385 41.668 42.059 -0.011 0.000 0.898 491 L HN 0.147 nan 8.230 nan 0.000 0.433 492 L N 0.211 121.419 121.223 -0.024 0.000 2.046 492 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 492 L C 2.538 179.368 176.870 -0.068 0.000 1.077 492 L CA 1.791 56.592 54.840 -0.066 0.000 0.747 492 L CB -0.606 41.374 42.059 -0.131 0.000 0.896 492 L HN 0.123 nan 8.230 nan 0.000 0.432 493 K N -1.331 119.077 120.400 0.012 0.000 2.063 493 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 493 K C 1.858 178.475 176.600 0.030 0.000 1.048 493 K CA 1.889 58.226 56.287 0.083 0.000 0.928 493 K CB -0.189 32.403 32.500 0.154 0.000 0.713 493 K HN 0.410 nan 8.250 nan 0.000 0.442 494 T N 1.501 116.063 114.554 0.013 0.000 2.720 494 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 494 T C 1.498 176.206 174.700 0.015 0.000 1.037 494 T CA 1.354 63.459 62.100 0.009 0.000 1.144 494 T CB -0.117 68.753 68.868 0.003 0.000 0.864 494 T HN 0.297 nan 8.240 nan 0.000 0.444 495 E N 0.733 120.939 120.200 0.009 0.000 2.107 495 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 495 E C 2.288 178.909 176.600 0.035 0.000 0.982 495 E CA 0.595 57.006 56.400 0.018 0.000 0.809 495 E CB -0.357 29.347 29.700 0.007 0.000 0.756 495 E HN 0.525 nan 8.360 nan 0.000 0.459 496 I N 1.487 122.070 120.570 0.021 0.000 2.179 496 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 496 I C 1.733 177.911 176.117 0.102 0.000 1.088 496 I CA 1.240 62.574 61.300 0.056 0.000 1.357 496 I CB -0.256 37.755 38.000 0.019 0.000 1.051 496 I HN -0.067 nan 8.210 nan 0.000 0.409 497 D N 0.955 121.385 120.400 0.049 0.000 2.263 497 D HA -0.099 4.541 4.640 -0.000 0.000 0.208 497 D C 2.149 178.501 176.300 0.085 0.000 0.971 497 D CA 1.190 55.205 54.000 0.025 0.000 0.867 497 D CB -0.040 40.749 40.800 -0.018 0.000 0.929 497 D HN 0.352 nan 8.370 nan 0.000 0.492 498 A N 1.320 124.188 122.820 0.080 0.000 1.873 498 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 498 A C 1.334 178.984 177.584 0.110 0.000 1.186 498 A CA 1.613 53.697 52.037 0.079 0.000 0.616 498 A CB -0.118 18.914 19.000 0.054 0.000 0.823 498 A HN 0.234 nan 8.150 nan 0.000 0.442 499 D N -1.838 118.642 120.400 0.134 0.000 2.643 499 D HA 0.189 4.829 4.640 -0.000 0.000 0.244 499 D C -0.118 176.297 176.300 0.191 0.000 1.257 499 D CA -0.563 53.527 54.000 0.150 0.000 0.831 499 D CB -0.641 40.230 40.800 0.118 0.000 1.043 499 D HN 0.225 nan 8.370 nan 0.000 0.488 500 F N 3.077 123.051 119.950 0.040 0.000 2.418 500 F HA 0.257 4.784 4.527 -0.000 0.000 0.341 500 F C -0.966 174.813 175.800 -0.036 0.000 1.120 500 F CA -1.883 56.123 58.000 0.010 0.000 1.232 500 F CB 0.957 39.961 39.000 0.007 0.000 1.175 500 F HN -0.203 nan 8.300 nan 0.000 0.569 501 P HA -0.064 nan 4.420 nan 0.000 0.242 501 P C -0.675 176.175 177.300 -0.750 0.000 1.197 501 P CA 0.636 62.807 63.100 -1.549 0.000 0.765 501 P CB -0.405 30.610 31.700 -1.143 0.000 0.936 502 H N 1.033 119.944 119.070 -0.265 0.000 2.767 502 H HA 0.146 4.702 4.556 -0.000 0.000 0.316 502 H C -1.425 173.881 175.328 -0.037 0.000 1.059 502 H CA -1.441 54.535 56.048 -0.121 0.000 1.461 502 H CB 0.360 30.083 29.762 -0.064 0.000 1.475 502 H HN 0.093 nan 8.280 nan 0.000 0.531 503 P HA -0.085 nan 4.420 nan 0.000 0.259 503 P C -0.679 176.673 177.300 0.086 0.000 1.353 503 P CA 0.350 63.506 63.100 0.094 0.000 0.727 503 P CB 0.549 32.286 31.700 0.062 0.000 1.300 504 L N -1.757 119.497 121.223 0.051 0.000 2.849 504 L HA 0.255 4.595 4.340 -0.000 0.000 0.256 504 L C -0.323 176.560 176.870 0.022 0.000 0.951 504 L CA -0.336 54.523 54.840 0.031 0.000 1.003 504 L CB 1.595 43.668 42.059 0.024 0.000 1.408 504 L HN 0.068 nan 8.230 nan 0.000 0.463 505 R N 3.294 123.797 120.500 0.005 0.000 3.266 505 R HA 0.328 4.668 4.340 -0.000 0.000 0.224 505 R C -0.637 175.669 176.300 0.009 0.000 1.525 505 R CA -0.757 55.343 56.100 0.000 0.000 1.364 505 R CB 0.173 30.454 30.300 -0.032 0.000 1.276 505 R HN 0.259 nan 8.270 nan 0.000 0.660 506 L N 1.918 123.185 121.223 0.074 0.000 2.410 506 L HA 0.106 4.446 4.340 -0.000 0.000 0.273 506 L C 1.379 178.389 176.870 0.235 0.000 1.152 506 L CA 0.492 55.419 54.840 0.146 0.000 0.855 506 L CB 0.946 43.146 42.059 0.234 0.000 1.129 506 L HN 0.356 nan 8.230 nan 0.000 0.463 507 R N 2.703 123.189 120.500 -0.024 0.000 2.404 507 R HA 0.379 4.719 4.340 -0.000 0.000 0.237 507 R C -0.846 174.955 176.300 -0.832 0.000 0.907 507 R CA 0.212 56.141 56.100 -0.284 0.000 1.063 507 R CB 0.473 30.594 30.300 -0.298 0.000 1.134 507 R HN 0.501 nan 8.270 nan 0.000 0.529 508 L N -0.070 120.792 121.223 -0.602 0.000 2.612 508 L HA 0.497 4.837 4.340 -0.000 0.000 0.256 508 L C -2.183 174.668 176.870 -0.032 0.000 0.949 508 L CA -0.499 54.004 54.840 -0.560 0.000 0.867 508 L CB 1.949 43.844 42.059 -0.273 0.000 1.417 508 L HN 0.172 nan 8.230 nan 0.000 0.414 509 M N 2.377 122.058 119.600 0.134 0.000 2.433 509 M HA 0.727 5.207 4.480 -0.000 0.000 0.290 509 M C -1.031 175.354 176.300 0.141 0.000 1.173 509 M CA -0.303 55.114 55.300 0.195 0.000 0.905 509 M CB 2.478 35.251 32.600 0.288 0.000 1.692 509 M HN 0.861 nan 8.290 nan 0.000 0.462 510 G N 2.041 110.901 108.800 0.099 0.000 2.690 510 G HA2 0.713 4.673 3.960 -0.000 0.000 0.293 510 G HA3 0.713 4.673 3.960 -0.000 0.000 0.293 510 G C -2.219 172.725 174.900 0.072 0.000 1.399 510 G CA -0.480 44.668 45.100 0.081 0.000 0.890 510 G HN 0.597 nan 8.290 nan 0.000 0.485 511 V N 0.760 120.715 119.914 0.069 0.000 2.686 511 V HA 0.705 4.825 4.120 -0.000 0.000 0.306 511 V C -0.232 175.894 176.094 0.054 0.000 1.065 511 V CA -0.884 61.455 62.300 0.065 0.000 0.894 511 V CB 1.927 33.800 31.823 0.084 0.000 1.004 511 V HN 0.878 nan 8.190 nan 0.000 0.424 512 R N 4.227 124.751 120.500 0.040 0.000 2.575 512 R HA 0.670 5.010 4.340 -0.000 0.000 0.293 512 R C -1.654 174.652 176.300 0.011 0.000 0.983 512 R CA -0.609 55.511 56.100 0.033 0.000 0.887 512 R CB 2.067 32.380 30.300 0.023 0.000 1.184 512 R HN 0.792 nan 8.270 nan 0.000 0.445 513 I N 2.878 123.460 120.570 0.020 0.000 2.428 513 I HA 0.570 4.740 4.170 -0.000 0.000 0.296 513 I C -0.521 175.465 176.117 -0.219 0.000 0.985 513 I CA 0.236 61.502 61.300 -0.058 0.000 1.260 513 I CB 1.629 39.647 38.000 0.031 0.000 1.389 513 I HN 0.976 nan 8.210 nan 0.000 0.484 514 S N 3.644 119.106 115.700 -0.396 0.000 2.720 514 S HA 0.694 5.164 4.470 -0.000 0.000 0.287 514 S C 0.159 174.338 174.600 -0.702 0.000 1.168 514 S CA -0.260 57.598 58.200 -0.570 0.000 0.832 514 S CB 0.857 63.918 63.200 -0.233 0.000 1.166 514 S HN 1.485 nan 8.310 nan 0.000 0.493 515 S N -0.449 114.926 115.700 -0.543 0.000 3.727 515 S HA 0.048 4.518 4.470 -0.000 0.000 0.444 515 S C -0.151 174.249 174.600 -0.334 0.000 0.867 515 S CA 0.648 58.659 58.200 -0.315 0.000 1.324 515 S CB -2.437 60.650 63.200 -0.188 0.000 0.890 515 S HN 1.419 nan 8.310 nan 0.000 0.599 516 F N 2.976 122.928 119.950 0.004 0.000 2.390 516 F HA 0.502 5.029 4.527 -0.000 0.000 0.361 516 F C 0.077 175.879 175.800 0.003 0.000 1.124 516 F CA -1.547 56.455 58.000 0.004 0.000 1.149 516 F CB -0.155 38.847 39.000 0.003 0.000 1.160 516 F HN 0.447 nan 8.300 nan 0.000 0.501 517 P HA 0.000 nan 4.420 nan 0.000 0.216 517 P CA 0.000 63.151 63.100 0.085 0.000 0.800 517 P CB 0.000 31.743 31.700 0.072 0.000 0.726