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 3nlu_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRXXXXXXX DATA SEQUENCE XXXXPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 67 G C 0.000 174.711 174.900 -0.315 0.000 0.946 67 G CA 0.000 44.787 45.100 -0.522 0.000 0.502 68 P HA 0.578 nan 4.420 nan 0.000 0.332 68 P C -0.725 176.549 177.300 -0.044 0.000 1.256 68 P CA -0.692 62.347 63.100 -0.100 0.000 0.819 68 P CB 1.344 33.068 31.700 0.041 0.000 1.377 69 K N 0.400 120.700 120.400 -0.167 0.000 3.216 69 K HA 0.238 4.563 4.320 0.007 0.000 0.277 69 K C -1.034 175.246 176.600 -0.534 0.000 1.246 69 K CA -0.087 56.035 56.287 -0.275 0.000 1.227 69 K CB -1.449 30.881 32.500 -0.283 0.000 1.487 69 K HN 0.316 nan 8.250 nan 0.000 0.341 70 F N 0.189 120.155 119.950 0.027 0.000 2.546 70 F HA 0.364 4.896 4.527 0.008 0.000 0.320 70 F C -1.853 174.037 175.800 0.149 0.000 1.076 70 F CA -2.711 55.324 58.000 0.058 0.000 0.928 70 F CB 1.126 40.159 39.000 0.055 0.000 1.189 70 F HN 0.046 nan 8.300 nan 0.000 0.465 71 P HA -0.072 nan 4.420 nan 0.000 0.261 71 P C -0.570 176.846 177.300 0.192 0.000 1.173 71 P CA 0.132 63.344 63.100 0.187 0.000 0.760 71 P CB 0.385 32.168 31.700 0.138 0.000 0.783 72 R N 3.808 124.358 120.500 0.084 0.000 2.297 72 R HA 0.354 4.699 4.340 0.007 0.000 0.308 72 R C -1.485 174.712 176.300 -0.171 0.000 1.029 72 R CA -0.422 55.543 56.100 -0.224 0.000 0.929 72 R CB 0.602 30.785 30.300 -0.195 0.000 1.046 72 R HN 0.220 nan 8.270 nan 0.000 0.461 73 V N 5.336 125.103 119.914 -0.245 0.000 2.407 73 V HA 0.346 4.471 4.120 0.007 0.000 0.291 73 V C -0.055 175.953 176.094 -0.143 0.000 1.018 73 V CA -0.810 61.426 62.300 -0.107 0.000 0.842 73 V CB 1.498 33.297 31.823 -0.040 0.000 0.996 73 V HN 0.664 nan 8.190 nan 0.000 0.426 74 K N 3.839 124.174 120.400 -0.109 0.000 2.164 74 K HA 0.405 4.730 4.320 0.007 0.000 0.258 74 K C -0.276 176.252 176.600 -0.119 0.000 0.951 74 K CA -0.629 55.520 56.287 -0.231 0.000 0.844 74 K CB 1.163 33.359 32.500 -0.508 0.000 1.099 74 K HN 0.714 nan 8.250 nan 0.000 0.435 75 N N 3.984 122.603 118.700 -0.135 0.000 2.426 75 N HA 0.076 4.821 4.740 0.007 0.000 0.257 75 N C -0.320 175.167 175.510 -0.039 0.000 1.002 75 N CA -0.264 52.800 53.050 0.025 0.000 0.942 75 N CB 0.515 39.037 38.487 0.058 0.000 1.112 75 N HN 0.671 nan 8.380 nan 0.000 0.499 76 W N 2.152 123.536 121.300 0.139 0.000 2.905 76 W HA 0.147 4.811 4.660 0.007 0.000 0.251 76 W C 2.070 178.640 176.519 0.085 0.000 1.305 76 W CA -0.139 57.277 57.345 0.119 0.000 1.465 76 W CB 0.345 29.899 29.460 0.158 0.000 1.122 76 W HN 0.669 nan 8.180 nan 0.000 0.659 77 E N 0.376 120.718 120.200 0.237 0.000 2.086 77 E HA -0.112 4.242 4.350 0.007 0.000 0.190 77 E C 1.747 178.372 176.600 0.043 0.000 0.975 77 E CA 1.030 57.467 56.400 0.063 0.000 0.813 77 E CB -0.170 29.514 29.700 -0.027 0.000 0.768 77 E HN 0.248 nan 8.360 nan 0.000 0.457 78 L N -1.115 120.130 121.223 0.038 0.000 2.463 78 L HA 0.306 4.651 4.340 0.007 0.000 0.219 78 L C 1.586 178.437 176.870 -0.031 0.000 1.088 78 L CA 0.497 55.340 54.840 0.005 0.000 0.849 78 L CB 0.548 42.613 42.059 0.010 0.000 1.012 78 L HN 0.420 nan 8.230 nan 0.000 0.468 79 G N 0.302 109.056 108.800 -0.076 0.000 2.157 79 G HA2 -0.288 3.676 3.960 0.007 0.000 0.248 79 G HA3 -0.288 3.676 3.960 0.007 0.000 0.248 79 G C 0.350 175.156 174.900 -0.157 0.000 0.979 79 G CA 0.325 45.337 45.100 -0.146 0.000 0.650 79 G HN 0.424 nan 8.290 nan 0.000 0.529 80 S N 0.340 115.968 115.700 -0.120 0.000 2.580 80 S HA 0.763 5.237 4.470 0.007 0.000 0.274 80 S C 0.102 174.612 174.600 -0.151 0.000 1.329 80 S CA -0.628 57.508 58.200 -0.107 0.000 1.036 80 S CB 1.999 65.162 63.200 -0.061 0.000 0.919 80 S HN 0.451 nan 8.310 nan 0.000 0.515 81 I N 2.465 122.948 120.570 -0.146 0.000 2.569 81 I HA 0.582 4.756 4.170 0.007 0.000 0.296 81 I C 0.376 176.386 176.117 -0.178 0.000 1.028 81 I CA -0.334 60.843 61.300 -0.206 0.000 1.082 81 I CB 1.399 39.267 38.000 -0.220 0.000 1.264 81 I HN 1.028 nan 8.210 nan 0.000 0.429 82 T N 1.912 116.321 114.554 -0.242 0.000 2.896 82 T HA 0.682 5.037 4.350 0.007 0.000 0.297 82 T C -1.203 173.305 174.700 -0.320 0.000 1.108 82 T CA -0.710 61.289 62.100 -0.168 0.000 1.004 82 T CB 1.678 70.503 68.868 -0.072 0.000 1.159 82 T HN 0.229 nan 8.240 nan 0.000 0.499 83 Y N 0.636 120.928 120.300 -0.014 0.000 2.341 83 Y HA 0.451 5.006 4.550 0.007 0.000 0.337 83 Y C 0.423 176.308 175.900 -0.026 0.000 1.014 83 Y CA -0.883 57.221 58.100 0.007 0.000 1.111 83 Y CB 1.351 39.822 38.460 0.018 0.000 1.194 83 Y HN 0.695 nan 8.280 nan 0.000 0.462 84 D N 2.139 122.626 120.400 0.145 0.000 2.336 84 D HA 0.051 4.696 4.640 0.007 0.000 0.249 84 D C 0.638 176.942 176.300 0.006 0.000 1.213 84 D CA 0.188 54.234 54.000 0.077 0.000 0.870 84 D CB 1.120 41.991 40.800 0.118 0.000 1.076 84 D HN 0.805 nan 8.370 nan 0.000 0.483 85 T N 1.143 115.590 114.554 -0.178 0.000 3.014 85 T HA -0.038 4.317 4.350 0.007 0.000 0.250 85 T C 1.870 176.454 174.700 -0.193 0.000 1.060 85 T CA -0.274 61.564 62.100 -0.438 0.000 1.040 85 T CB 0.123 68.551 68.868 -0.734 0.000 0.971 85 T HN 0.268 nan 8.240 nan 0.000 0.497 86 L N 2.469 123.627 121.223 -0.109 0.000 2.131 86 L HA 0.013 4.358 4.340 0.007 0.000 0.210 86 L C 2.633 179.404 176.870 -0.166 0.000 1.092 86 L CA 1.401 56.209 54.840 -0.053 0.000 0.759 86 L CB -0.849 41.253 42.059 0.072 0.000 0.903 86 L HN 0.633 nan 8.230 nan 0.000 0.435 87 C N -1.362 117.662 119.300 -0.462 0.000 2.410 87 C HA -0.002 4.462 4.460 0.007 0.000 0.281 87 C C 2.849 177.632 174.990 -0.346 0.000 1.318 87 C CA 0.156 58.582 59.018 -0.985 0.000 1.776 87 C CB -2.235 24.856 27.740 -1.081 0.000 1.942 87 C HN 0.601 nan 8.230 nan 0.000 0.508 88 A N 0.330 123.092 122.820 -0.096 0.000 2.024 88 A HA -0.179 4.146 4.320 0.007 0.000 0.220 88 A C 2.289 179.873 177.584 -0.001 0.000 1.164 88 A CA 1.830 53.880 52.037 0.022 0.000 0.643 88 A CB -0.553 18.552 19.000 0.174 0.000 0.806 88 A HN 0.703 nan 8.150 nan 0.000 0.451 89 Q N 0.176 119.968 119.800 -0.014 0.000 2.364 89 Q HA -0.010 4.334 4.340 0.007 0.000 0.207 89 Q C 1.014 177.040 176.000 0.044 0.000 0.970 89 Q CA 0.640 56.459 55.803 0.025 0.000 0.888 89 Q CB -0.547 28.218 28.738 0.044 0.000 0.951 89 Q HN 0.543 nan 8.270 nan 0.000 0.469 90 S N 1.119 116.837 115.700 0.030 0.000 2.525 90 S HA -0.018 4.457 4.470 0.007 0.000 0.285 90 S C 0.853 175.487 174.600 0.057 0.000 1.283 90 S CA -0.062 58.184 58.200 0.075 0.000 1.072 90 S CB 0.431 63.684 63.200 0.088 0.000 0.867 90 S HN 0.111 nan 8.310 nan 0.000 0.492 91 Q N 2.267 122.107 119.800 0.066 0.000 2.247 91 Q HA 0.269 4.613 4.340 0.007 0.000 0.211 91 Q C -0.264 175.764 176.000 0.047 0.000 0.861 91 Q CA 0.132 55.966 55.803 0.052 0.000 0.949 91 Q CB 0.581 29.353 28.738 0.057 0.000 1.115 91 Q HN 0.709 nan 8.270 nan 0.000 0.507 92 Q N 1.209 121.041 119.800 0.054 0.000 2.285 92 Q HA 0.223 4.568 4.340 0.007 0.000 0.269 92 Q C -1.585 174.445 176.000 0.049 0.000 1.030 92 Q CA -0.333 55.497 55.803 0.046 0.000 0.788 92 Q CB 1.295 30.059 28.738 0.042 0.000 1.266 92 Q HN -0.098 nan 8.270 nan 0.000 0.438 93 D N 2.442 122.865 120.400 0.038 0.000 2.424 93 D HA 0.290 4.934 4.640 0.007 0.000 0.244 93 D C 0.442 176.765 176.300 0.037 0.000 1.134 93 D CA 0.533 54.555 54.000 0.036 0.000 0.881 93 D CB 1.034 41.849 40.800 0.025 0.000 1.191 93 D HN 0.676 nan 8.370 nan 0.000 0.445 94 G N 1.616 110.443 108.800 0.043 0.000 2.494 94 G HA2 0.297 4.261 3.960 0.007 0.000 0.270 94 G HA3 0.297 4.261 3.960 0.007 0.000 0.270 94 G C -1.408 173.507 174.900 0.025 0.000 1.423 94 G CA -0.510 44.611 45.100 0.035 0.000 1.055 94 G HN 0.376 nan 8.290 nan 0.000 0.536 95 P HA 0.226 nan 4.420 nan 0.000 0.264 95 P C 0.131 177.442 177.300 0.017 0.000 1.259 95 P CA -0.180 62.929 63.100 0.016 0.000 0.841 95 P CB 0.204 31.911 31.700 0.012 0.000 1.232 96 C N 1.013 120.327 119.300 0.022 0.000 2.534 96 C HA 0.587 5.052 4.460 0.007 0.000 0.385 96 C C 1.135 176.135 174.990 0.017 0.000 1.264 96 C CA 0.180 59.210 59.018 0.020 0.000 2.342 96 C CB 0.771 28.526 27.740 0.025 0.000 2.564 96 C HN 0.389 nan 8.230 nan 0.000 0.603 97 T N -1.257 113.304 114.554 0.012 0.000 2.838 97 T HA 0.458 4.812 4.350 0.007 0.000 0.292 97 T C -2.348 172.356 174.700 0.007 0.000 1.113 97 T CA -1.170 60.936 62.100 0.009 0.000 1.008 97 T CB 1.226 70.097 68.868 0.006 0.000 1.259 97 T HN 0.294 nan 8.240 nan 0.000 0.520 98 P HA 0.057 nan 4.420 nan 0.000 0.219 98 P C 1.416 178.717 177.300 0.001 0.000 1.146 98 P CA 0.732 63.834 63.100 0.002 0.000 0.808 98 P CB 0.116 31.816 31.700 -0.000 0.000 0.779 99 R N -0.641 119.859 120.500 0.001 0.000 2.153 99 R HA 0.040 4.385 4.340 0.007 0.000 0.218 99 R C 0.882 177.183 176.300 0.000 0.000 1.072 99 R CA 0.734 56.834 56.100 0.000 0.000 0.990 99 R CB -0.007 30.293 30.300 0.000 0.000 0.889 99 R HN 0.236 nan 8.270 nan 0.000 0.452 100 R N -0.264 120.237 120.500 0.002 0.000 2.579 100 R HA 0.120 4.464 4.340 0.007 0.000 0.260 100 R C -1.669 174.634 176.300 0.005 0.000 1.103 100 R CA -0.645 55.456 56.100 0.002 0.000 0.942 100 R CB 0.340 30.642 30.300 0.002 0.000 1.251 100 R HN 0.008 nan 8.270 nan 0.000 0.450 101 C N 4.200 123.502 119.300 0.003 0.000 2.325 101 C HA 0.512 4.976 4.460 0.007 0.000 0.347 101 C C 0.371 175.368 174.990 0.011 0.000 1.263 101 C CA -0.522 58.500 59.018 0.007 0.000 1.806 101 C CB -0.625 27.115 27.740 0.001 0.000 2.405 101 C HN 0.684 nan 8.230 nan 0.000 0.537 102 L N 6.056 127.289 121.223 0.017 0.000 3.066 102 L HA 0.349 4.693 4.340 0.007 0.000 0.265 102 L C 2.021 178.909 176.870 0.030 0.000 1.232 102 L CA 0.700 55.552 54.840 0.020 0.000 1.031 102 L CB -0.128 41.941 42.059 0.016 0.000 1.379 102 L HN 1.021 nan 8.230 nan 0.000 0.563 103 G N -0.738 108.083 108.800 0.035 0.000 2.498 103 G HA2 -0.215 3.750 3.960 0.007 0.000 0.219 103 G HA3 -0.215 3.750 3.960 0.007 0.000 0.219 103 G C 1.393 176.341 174.900 0.080 0.000 1.119 103 G CA 1.067 46.197 45.100 0.049 0.000 0.766 103 G HN 0.507 nan 8.290 nan 0.000 0.552 104 S N -0.352 115.397 115.700 0.083 0.000 2.556 104 S HA 0.346 4.821 4.470 0.007 0.000 0.216 104 S C 0.781 175.451 174.600 0.118 0.000 0.970 104 S CA -0.598 57.676 58.200 0.123 0.000 0.912 104 S CB -0.107 63.154 63.200 0.100 0.000 0.790 104 S HN 0.134 nan 8.310 nan 0.000 0.504 105 L N 2.275 123.544 121.223 0.076 0.000 2.410 105 L HA 0.198 4.543 4.340 0.007 0.000 0.273 105 L C 1.504 178.420 176.870 0.076 0.000 1.144 105 L CA -0.549 54.327 54.840 0.061 0.000 0.863 105 L CB 0.762 42.837 42.059 0.028 0.000 1.140 105 L HN 0.043 nan 8.230 nan 0.000 0.463 106 V N 4.441 124.416 119.914 0.101 0.000 2.261 106 V HA -0.172 3.953 4.120 0.007 0.000 0.246 106 V C 0.953 177.028 176.094 -0.033 0.000 1.047 106 V CA 1.297 63.666 62.300 0.116 0.000 1.015 106 V CB -0.250 31.667 31.823 0.156 0.000 0.642 106 V HN 0.510 nan 8.190 nan 0.000 0.446 107 L N 1.976 123.168 121.223 -0.052 0.000 2.287 107 L HA 0.482 4.826 4.340 0.007 0.000 0.287 107 L C -2.424 174.427 176.870 -0.031 0.000 1.022 107 L CA -1.262 53.531 54.840 -0.078 0.000 0.814 107 L CB 1.757 43.762 42.059 -0.090 0.000 1.217 107 L HN 0.258 nan 8.230 nan 0.000 0.420 108 P HA 0.716 nan 4.420 nan 0.000 0.293 108 P C -1.436 175.866 177.300 0.003 0.000 1.303 108 P CA -0.948 62.148 63.100 -0.006 0.000 0.972 108 P CB 2.658 34.355 31.700 -0.004 0.000 1.377 122 A N 1.734 124.559 122.820 0.009 0.000 5.395 122 A HA -0.379 3.945 4.320 0.007 0.000 0.324 122 A C 1.630 179.218 177.584 0.007 0.000 1.813 122 A CA 2.686 54.728 52.037 0.007 0.000 0.714 122 A CB -1.757 17.245 19.000 0.005 0.000 1.374 122 A HN 0.725 nan 8.150 nan 0.000 0.390 123 E N -0.932 119.271 120.200 0.005 0.000 2.031 123 E HA -0.119 4.236 4.350 0.007 0.000 0.193 123 E C 2.018 178.623 176.600 0.009 0.000 0.994 123 E CA 1.689 58.092 56.400 0.005 0.000 0.800 123 E CB -0.304 29.398 29.700 0.004 0.000 0.752 123 E HN 0.733 nan 8.360 nan 0.000 0.447 124 Q N 0.982 120.788 119.800 0.011 0.000 2.133 124 Q HA -0.194 4.151 4.340 0.007 0.000 0.208 124 Q C 2.009 178.023 176.000 0.023 0.000 0.991 124 Q CA 1.596 57.409 55.803 0.016 0.000 0.867 124 Q CB -0.383 28.362 28.738 0.012 0.000 0.911 124 Q HN 0.479 nan 8.270 nan 0.000 0.417 125 L N -0.977 120.260 121.223 0.023 0.000 2.023 125 L HA -0.131 4.214 4.340 0.007 0.000 0.205 125 L C 2.071 178.963 176.870 0.038 0.000 1.073 125 L CA 1.020 55.884 54.840 0.040 0.000 0.745 125 L CB -0.356 41.730 42.059 0.046 0.000 0.900 125 L HN 0.382 nan 8.230 nan 0.000 0.435 126 L N 0.114 121.343 121.223 0.011 0.000 2.013 126 L HA -0.264 4.081 4.340 0.007 0.000 0.212 126 L C 3.003 179.869 176.870 -0.007 0.000 1.073 126 L CA 2.288 57.115 54.840 -0.021 0.000 0.753 126 L CB -0.783 41.262 42.059 -0.023 0.000 0.890 126 L HN 0.507 nan 8.230 nan 0.000 0.432 127 S N -1.748 113.960 115.700 0.014 0.000 2.382 127 S HA -0.270 4.204 4.470 0.007 0.000 0.228 127 S C 1.911 176.544 174.600 0.055 0.000 1.027 127 S CA 1.400 59.617 58.200 0.028 0.000 0.991 127 S CB -0.526 62.690 63.200 0.026 0.000 0.823 127 S HN 0.614 nan 8.310 nan 0.000 0.469 128 Q N 0.834 120.674 119.800 0.065 0.000 2.079 128 Q HA 0.055 4.400 4.340 0.007 0.000 0.200 128 Q C 2.695 178.788 176.000 0.155 0.000 0.974 128 Q CA 1.335 57.199 55.803 0.102 0.000 0.840 128 Q CB -0.537 28.253 28.738 0.086 0.000 0.898 128 Q HN 0.782 nan 8.270 nan 0.000 0.430 129 A N 1.343 124.236 122.820 0.121 0.000 1.883 129 A HA -0.223 4.101 4.320 0.007 0.000 0.217 129 A C 2.010 179.665 177.584 0.119 0.000 1.186 129 A CA 1.362 53.463 52.037 0.107 0.000 0.624 129 A CB -0.467 18.402 19.000 -0.219 0.000 0.822 129 A HN 0.218 nan 8.150 nan 0.000 0.444 130 R N -0.680 119.853 120.500 0.055 0.000 2.083 130 R HA -0.198 4.147 4.340 0.007 0.000 0.237 130 R C 2.076 178.453 176.300 0.129 0.000 1.137 130 R CA 1.829 57.970 56.100 0.068 0.000 0.951 130 R CB -0.543 29.777 30.300 0.033 0.000 0.851 130 R HN 0.756 nan 8.270 nan 0.000 0.434 131 D N 0.019 120.505 120.400 0.142 0.000 2.117 131 D HA -0.210 4.435 4.640 0.007 0.000 0.197 131 D C 1.727 178.157 176.300 0.216 0.000 0.987 131 D CA 1.049 55.143 54.000 0.156 0.000 0.829 131 D CB -0.118 40.766 40.800 0.139 0.000 0.961 131 D HN 0.169 nan 8.370 nan 0.000 0.460 132 F N 0.799 120.841 119.950 0.153 0.000 2.134 132 F HA -0.081 4.450 4.527 0.006 0.000 0.299 132 F C 1.926 177.875 175.800 0.249 0.000 1.097 132 F CA 1.096 59.227 58.000 0.219 0.000 1.264 132 F CB -0.150 38.990 39.000 0.234 0.000 1.001 132 F HN -0.011 nan 8.300 nan 0.000 0.479 133 I N 0.962 121.588 120.570 0.092 0.000 2.226 133 I HA -0.300 3.874 4.170 0.007 0.000 0.245 133 I C 1.895 178.055 176.117 0.071 0.000 1.100 133 I CA 1.209 62.555 61.300 0.077 0.000 1.374 133 I CB -1.679 36.460 38.000 0.232 0.000 1.057 133 I HN 0.229 nan 8.210 nan 0.000 0.413 134 N N 1.109 119.867 118.700 0.097 0.000 2.104 134 N HA -0.203 4.541 4.740 0.007 0.000 0.190 134 N C 1.842 177.289 175.510 -0.106 0.000 1.024 134 N CA 1.193 54.267 53.050 0.041 0.000 0.853 134 N CB -0.407 38.153 38.487 0.122 0.000 1.008 134 N HN 0.488 nan 8.380 nan 0.000 0.424 135 Q N -0.787 118.961 119.800 -0.087 0.000 2.084 135 Q HA -0.176 4.168 4.340 0.007 0.000 0.202 135 Q C 1.785 177.533 176.000 -0.420 0.000 0.978 135 Q CA 1.272 57.021 55.803 -0.090 0.000 0.844 135 Q CB -0.265 28.552 28.738 0.131 0.000 0.898 135 Q HN 0.490 nan 8.270 nan 0.000 0.426 136 Y N 0.165 119.972 120.300 -0.823 0.000 2.089 136 Y HA -0.306 4.248 4.550 0.006 0.000 0.282 136 Y C 1.841 177.196 175.900 -0.908 0.000 1.139 136 Y CA 1.654 58.990 58.100 -1.275 0.000 1.123 136 Y CB -0.615 37.213 38.460 -1.054 0.000 0.980 136 Y HN 0.060 nan 8.280 nan 0.000 0.493 137 Y N -0.207 119.707 120.300 -0.643 0.000 2.207 137 Y HA -0.261 4.294 4.550 0.009 0.000 0.287 137 Y C 2.930 178.501 175.900 -0.549 0.000 1.156 137 Y CA 1.905 59.607 58.100 -0.664 0.000 1.182 137 Y CB -0.774 37.175 38.460 -0.853 0.000 0.979 137 Y HN 0.117 nan 8.280 nan 0.000 0.521 138 S N -0.726 114.769 115.700 -0.343 0.000 2.370 138 S HA -0.230 4.244 4.470 0.007 0.000 0.226 138 S C 2.303 176.740 174.600 -0.272 0.000 1.033 138 S CA 1.503 59.565 58.200 -0.231 0.000 1.011 138 S CB -0.579 62.536 63.200 -0.143 0.000 0.852 138 S HN 0.649 nan 8.310 nan 0.000 0.457 139 S N 1.983 117.428 115.700 -0.425 0.000 2.428 139 S HA -0.012 4.463 4.470 0.007 0.000 0.230 139 S C 1.630 176.005 174.600 -0.374 0.000 1.014 139 S CA 0.905 58.899 58.200 -0.344 0.000 0.957 139 S CB -0.700 62.255 63.200 -0.407 0.000 0.784 139 S HN 0.707 nan 8.310 nan 0.000 0.499 140 I N -2.529 117.702 120.570 -0.564 0.000 3.810 140 I HA 0.366 4.541 4.170 0.007 0.000 0.322 140 I C -0.323 175.637 176.117 -0.262 0.000 1.288 140 I CA -0.380 60.653 61.300 -0.445 0.000 1.143 140 I CB -0.251 37.370 38.000 -0.632 0.000 1.012 140 I HN -0.106 nan 8.210 nan 0.000 0.423 141 K N 2.017 122.289 120.400 -0.214 0.000 3.096 141 K HA -0.151 4.174 4.320 0.007 0.000 0.266 141 K C -0.052 176.504 176.600 -0.074 0.000 1.043 141 K CA 0.507 56.722 56.287 -0.120 0.000 0.758 141 K CB -1.681 30.768 32.500 -0.085 0.000 1.260 141 K HN 0.589 nan 8.250 nan 0.000 0.481 142 R N -0.577 119.887 120.500 -0.060 0.000 2.690 142 R HA 0.129 4.474 4.340 0.007 0.000 0.419 142 R C -0.352 175.995 176.300 0.079 0.000 1.090 142 R CA -0.289 55.841 56.100 0.049 0.000 1.064 142 R CB 0.695 31.102 30.300 0.178 0.000 1.391 142 R HN 0.002 nan 8.270 nan 0.000 0.586 143 S N 0.126 115.842 115.700 0.027 0.000 2.498 143 S HA 0.313 4.788 4.470 0.007 0.000 0.281 143 S C 1.241 175.948 174.600 0.180 0.000 1.265 143 S CA 1.067 59.331 58.200 0.107 0.000 1.071 143 S CB 0.878 64.101 63.200 0.039 0.000 0.894 143 S HN 0.706 nan 8.310 nan 0.000 0.491 144 G N 2.601 111.593 108.800 0.318 0.000 2.179 144 G HA2 -0.250 3.715 3.960 0.007 0.000 0.220 144 G HA3 -0.250 3.715 3.960 0.007 0.000 0.220 144 G C 0.204 175.098 174.900 -0.011 0.000 0.990 144 G CA 0.028 45.160 45.100 0.054 0.000 0.646 144 G HN 1.076 nan 8.290 nan 0.000 0.517 145 S N 0.577 116.301 115.700 0.040 0.000 2.616 145 S HA 0.522 4.997 4.470 0.007 0.000 0.277 145 S C 1.732 176.298 174.600 -0.058 0.000 1.234 145 S CA 0.663 58.863 58.200 -0.001 0.000 1.028 145 S CB 1.944 65.167 63.200 0.039 0.000 0.988 145 S HN 1.033 nan 8.310 nan 0.000 0.522 146 Q N 2.551 122.325 119.800 -0.044 0.000 2.105 146 Q HA -0.318 4.027 4.340 0.007 0.000 0.217 146 Q C 1.971 177.932 176.000 -0.066 0.000 1.029 146 Q CA 2.817 58.590 55.803 -0.049 0.000 0.899 146 Q CB -1.798 26.929 28.738 -0.018 0.000 1.000 146 Q HN 1.035 nan 8.270 nan 0.000 0.414 147 A N 0.680 123.478 122.820 -0.037 0.000 1.897 147 A HA -0.175 4.149 4.320 0.007 0.000 0.215 147 A C 2.161 179.599 177.584 -0.242 0.000 1.181 147 A CA 1.374 53.398 52.037 -0.023 0.000 0.620 147 A CB -1.093 17.985 19.000 0.131 0.000 0.821 147 A HN 0.760 nan 8.150 nan 0.000 0.443 148 H N -0.202 118.439 119.070 -0.715 0.000 2.319 148 H HA -0.166 4.395 4.556 0.008 0.000 0.297 148 H C 1.771 176.767 175.328 -0.553 0.000 1.097 148 H CA 1.623 56.936 56.048 -1.225 0.000 1.285 148 H CB 0.144 29.404 29.762 -0.836 0.000 1.368 148 H HN 0.484 nan 8.280 nan 0.000 0.495 149 E N 0.433 120.399 120.200 -0.390 0.000 2.158 149 E HA -0.116 4.239 4.350 0.007 0.000 0.191 149 E C 2.099 178.588 176.600 -0.185 0.000 0.982 149 E CA 0.593 56.793 56.400 -0.334 0.000 0.823 149 E CB -0.075 29.469 29.700 -0.261 0.000 0.766 149 E HN 0.694 nan 8.360 nan 0.000 0.468 150 E N 0.737 120.857 120.200 -0.133 0.000 2.106 150 E HA -0.159 4.195 4.350 0.007 0.000 0.192 150 E C 2.159 178.737 176.600 -0.036 0.000 0.984 150 E CA 0.644 57.005 56.400 -0.065 0.000 0.806 150 E CB 0.021 29.703 29.700 -0.031 0.000 0.750 150 E HN -0.082 nan 8.360 nan 0.000 0.458 151 R N 1.308 121.786 120.500 -0.037 0.000 2.075 151 R HA -0.071 4.273 4.340 0.007 0.000 0.232 151 R C 2.076 178.387 176.300 0.017 0.000 1.126 151 R CA 1.105 57.229 56.100 0.040 0.000 0.963 151 R CB -0.668 29.713 30.300 0.135 0.000 0.858 151 R HN 0.154 nan 8.270 nan 0.000 0.435 152 L N 0.212 121.413 121.223 -0.036 0.000 2.012 152 L HA -0.246 4.098 4.340 0.007 0.000 0.210 152 L C 2.519 179.354 176.870 -0.058 0.000 1.073 152 L CA 1.884 56.693 54.840 -0.053 0.000 0.748 152 L CB -0.454 41.536 42.059 -0.115 0.000 0.891 152 L HN 0.373 nan 8.230 nan 0.000 0.431 153 Q N -0.867 118.898 119.800 -0.058 0.000 2.224 153 Q HA -0.216 4.129 4.340 0.007 0.000 0.203 153 Q C 2.060 178.048 176.000 -0.021 0.000 0.970 153 Q CA 1.034 56.811 55.803 -0.043 0.000 0.865 153 Q CB 0.065 28.777 28.738 -0.043 0.000 0.922 153 Q HN 0.482 nan 8.270 nan 0.000 0.445 154 E N -0.011 120.186 120.200 -0.005 0.000 2.072 154 E HA -0.131 4.223 4.350 0.007 0.000 0.190 154 E C 1.971 178.586 176.600 0.023 0.000 0.982 154 E CA 0.734 57.149 56.400 0.024 0.000 0.803 154 E CB 0.308 30.039 29.700 0.051 0.000 0.755 154 E HN 0.120 nan 8.360 nan 0.000 0.453 155 V N 1.274 121.178 119.914 -0.016 0.000 2.295 155 V HA -0.254 3.870 4.120 0.007 0.000 0.246 155 V C 2.075 178.103 176.094 -0.111 0.000 1.049 155 V CA 2.032 64.264 62.300 -0.114 0.000 1.024 155 V CB -0.463 31.187 31.823 -0.288 0.000 0.648 155 V HN 0.260 nan 8.190 nan 0.000 0.447 156 E N 0.118 120.268 120.200 -0.083 0.000 2.023 156 E HA -0.233 4.122 4.350 0.007 0.000 0.196 156 E C 2.353 178.941 176.600 -0.019 0.000 1.003 156 E CA 1.478 57.844 56.400 -0.055 0.000 0.809 156 E CB -0.499 29.173 29.700 -0.046 0.000 0.755 156 E HN 0.557 nan 8.360 nan 0.000 0.449 157 A N 1.213 124.030 122.820 -0.006 0.000 1.909 157 A HA -0.391 3.933 4.320 0.007 0.000 0.221 157 A C 2.093 179.697 177.584 0.033 0.000 1.223 157 A CA 2.308 54.353 52.037 0.014 0.000 0.658 157 A CB -0.808 18.205 19.000 0.021 0.000 0.831 157 A HN 0.331 nan 8.150 nan 0.000 0.462 158 E N -0.916 119.315 120.200 0.052 0.000 2.072 158 E HA -0.104 4.250 4.350 0.007 0.000 0.191 158 E C 1.942 178.592 176.600 0.084 0.000 0.985 158 E CA 1.265 57.721 56.400 0.093 0.000 0.801 158 E CB -0.089 29.707 29.700 0.160 0.000 0.750 158 E HN 0.389 nan 8.360 nan 0.000 0.452 159 V N 0.938 120.887 119.914 0.058 0.000 2.548 159 V HA -0.203 3.921 4.120 0.007 0.000 0.249 159 V C 2.313 178.426 176.094 0.033 0.000 1.055 159 V CA 1.474 63.805 62.300 0.052 0.000 1.065 159 V CB -0.573 31.264 31.823 0.022 0.000 0.681 159 V HN 0.356 nan 8.190 nan 0.000 0.462 160 A N 1.053 123.886 122.820 0.021 0.000 1.865 160 A HA -0.236 4.089 4.320 0.007 0.000 0.217 160 A C 2.487 180.086 177.584 0.025 0.000 1.191 160 A CA 2.615 54.662 52.037 0.017 0.000 0.623 160 A CB -0.734 18.273 19.000 0.011 0.000 0.826 160 A HN 0.689 nan 8.150 nan 0.000 0.444 161 S N -1.892 113.828 115.700 0.034 0.000 2.501 161 S HA -0.001 4.474 4.470 0.007 0.000 0.220 161 S C 1.449 176.074 174.600 0.042 0.000 0.997 161 S CA 1.357 59.578 58.200 0.036 0.000 0.919 161 S CB -0.327 62.895 63.200 0.037 0.000 0.778 161 S HN 0.814 nan 8.310 nan 0.000 0.523 162 T N -4.273 110.311 114.554 0.050 0.000 2.958 162 T HA 0.545 4.899 4.350 0.007 0.000 0.256 162 T C 1.639 176.363 174.700 0.039 0.000 0.983 162 T CA 0.775 62.905 62.100 0.051 0.000 0.924 162 T CB 0.098 69.010 68.868 0.073 0.000 1.136 162 T HN 1.114 nan 8.240 nan 0.000 0.506 163 G N 0.504 109.328 108.800 0.040 0.000 2.225 163 G HA2 -0.221 3.744 3.960 0.007 0.000 0.254 163 G HA3 -0.221 3.744 3.960 0.007 0.000 0.254 163 G C 0.212 175.133 174.900 0.035 0.000 0.988 163 G CA 0.535 45.654 45.100 0.031 0.000 0.625 163 G HN 0.918 nan 8.290 nan 0.000 0.527 164 T N -1.025 113.551 114.554 0.037 0.000 2.773 164 T HA 0.763 5.117 4.350 0.007 0.000 0.278 164 T C -0.723 174.040 174.700 0.106 0.000 1.011 164 T CA 0.341 62.452 62.100 0.019 0.000 1.014 164 T CB 1.518 70.317 68.868 -0.115 0.000 1.293 164 T HN 1.295 nan 8.240 nan 0.000 0.554 165 Y N -1.105 119.083 120.300 -0.186 0.000 2.840 165 Y HA 0.728 5.283 4.550 0.007 0.000 0.324 165 Y C -1.329 174.368 175.900 -0.339 0.000 1.378 165 Y CA -1.208 56.805 58.100 -0.144 0.000 1.077 165 Y CB 0.913 39.366 38.460 -0.010 0.000 1.361 165 Y HN 0.615 nan 8.280 nan 0.000 0.459 166 H N 1.269 120.310 119.070 -0.048 0.000 2.679 166 H HA 0.502 5.063 4.556 0.008 0.000 0.360 166 H C -0.986 174.346 175.328 0.006 0.000 1.105 166 H CA -0.778 55.208 56.048 -0.103 0.000 1.196 166 H CB 2.513 32.281 29.762 0.009 0.000 1.636 166 H HN 0.609 nan 8.280 nan 0.000 0.531 167 L N 2.346 123.616 121.223 0.079 0.000 2.436 167 L HA 0.298 4.642 4.340 0.007 0.000 0.265 167 L C 1.097 178.033 176.870 0.110 0.000 1.168 167 L CA -0.322 54.594 54.840 0.128 0.000 0.815 167 L CB 0.538 42.645 42.059 0.080 0.000 1.109 167 L HN 0.365 nan 8.230 nan 0.000 0.462 168 R N 0.998 121.542 120.500 0.074 0.000 2.528 168 R HA 0.070 4.415 4.340 0.007 0.000 0.271 168 R C 0.990 177.286 176.300 -0.007 0.000 1.056 168 R CA -0.495 55.619 56.100 0.023 0.000 1.117 168 R CB 1.083 31.378 30.300 -0.007 0.000 1.085 168 R HN 0.668 nan 8.270 nan 0.000 0.530 169 E N 1.096 121.292 120.200 -0.007 0.000 2.055 169 E HA -0.302 4.053 4.350 0.007 0.000 0.209 169 E C 1.576 178.173 176.600 -0.005 0.000 1.036 169 E CA 2.652 59.044 56.400 -0.014 0.000 0.849 169 E CB 0.006 29.700 29.700 -0.009 0.000 0.767 169 E HN 0.674 nan 8.360 nan 0.000 0.461 170 S N -0.193 115.509 115.700 0.003 0.000 2.419 170 S HA -0.166 4.309 4.470 0.007 0.000 0.233 170 S C 1.748 176.388 174.600 0.067 0.000 1.016 170 S CA 1.307 59.544 58.200 0.060 0.000 0.974 170 S CB -0.265 63.002 63.200 0.113 0.000 0.786 170 S HN 0.330 nan 8.310 nan 0.000 0.492 171 E N 0.726 120.840 120.200 -0.143 0.000 2.077 171 E HA -0.065 4.289 4.350 0.007 0.000 0.193 171 E C 1.998 178.767 176.600 0.283 0.000 0.989 171 E CA 1.173 57.528 56.400 -0.075 0.000 0.800 171 E CB -0.298 29.343 29.700 -0.098 0.000 0.746 171 E HN 0.464 nan 8.360 nan 0.000 0.452 172 L N 0.610 121.892 121.223 0.099 0.000 2.027 172 L HA -0.157 4.188 4.340 0.007 0.000 0.206 172 L C 2.193 179.080 176.870 0.027 0.000 1.074 172 L CA 1.363 56.203 54.840 0.000 0.000 0.745 172 L CB -0.352 41.633 42.059 -0.123 0.000 0.898 172 L HN -0.051 nan 8.230 nan 0.000 0.433 173 V N -0.204 119.745 119.914 0.059 0.000 2.282 173 V HA -0.342 3.782 4.120 0.007 0.000 0.249 173 V C 2.380 178.581 176.094 0.179 0.000 1.057 173 V CA 2.307 64.652 62.300 0.074 0.000 1.032 173 V CB -1.094 30.773 31.823 0.074 0.000 0.645 173 V HN 0.606 nan 8.190 nan 0.000 0.447 174 F N 1.928 121.978 119.950 0.167 0.000 2.171 174 F HA 0.016 4.547 4.527 0.006 0.000 0.300 174 F C 2.054 178.012 175.800 0.263 0.000 1.090 174 F CA 1.608 59.754 58.000 0.244 0.000 1.293 174 F CB -0.775 38.435 39.000 0.350 0.000 1.013 174 F HN 0.094 nan 8.300 nan 0.000 0.486 175 G N -0.015 108.851 108.800 0.110 0.000 2.424 175 G HA2 -0.120 3.844 3.960 0.007 0.000 0.214 175 G HA3 -0.120 3.844 3.960 0.007 0.000 0.214 175 G C 1.887 176.682 174.900 -0.176 0.000 1.202 175 G CA 0.912 45.983 45.100 -0.049 0.000 0.793 175 G HN 0.615 nan 8.290 nan 0.000 0.534 176 A N 1.170 123.912 122.820 -0.129 0.000 1.909 176 A HA -0.243 4.082 4.320 0.007 0.000 0.221 176 A C 2.287 179.872 177.584 0.002 0.000 1.223 176 A CA 2.537 54.507 52.037 -0.113 0.000 0.658 176 A CB -0.619 18.343 19.000 -0.063 0.000 0.831 176 A HN 0.414 nan 8.150 nan 0.000 0.462 177 K N -1.555 118.891 120.400 0.077 0.000 2.032 177 K HA -0.220 4.104 4.320 0.007 0.000 0.209 177 K C 2.442 179.130 176.600 0.146 0.000 1.048 177 K CA 1.713 58.155 56.287 0.257 0.000 0.927 177 K CB -0.201 32.489 32.500 0.315 0.000 0.712 177 K HN 0.507 nan 8.250 nan 0.000 0.441 178 Q N 0.642 120.343 119.800 -0.165 0.000 2.096 178 Q HA -0.154 4.190 4.340 0.007 0.000 0.204 178 Q C 1.932 177.800 176.000 -0.221 0.000 0.982 178 Q CA 2.012 57.613 55.803 -0.337 0.000 0.850 178 Q CB -0.340 28.030 28.738 -0.615 0.000 0.901 178 Q HN 0.366 nan 8.270 nan 0.000 0.422 179 A N -0.567 122.115 122.820 -0.229 0.000 1.917 179 A HA -0.219 4.105 4.320 0.007 0.000 0.219 179 A C 1.835 179.426 177.584 0.012 0.000 1.182 179 A CA 1.658 53.510 52.037 -0.309 0.000 0.633 179 A CB -1.275 17.214 19.000 -0.852 0.000 0.819 179 A HN 0.730 nan 8.150 nan 0.000 0.448 180 W N 0.728 122.026 121.300 -0.002 0.000 2.379 180 W HA -0.110 4.553 4.660 0.005 0.000 0.307 180 W C 2.362 178.877 176.519 -0.008 0.000 1.200 180 W CA 1.445 58.852 57.345 0.103 0.000 1.297 180 W CB -0.747 28.778 29.460 0.108 0.000 1.140 180 W HN 0.364 nan 8.180 nan 0.000 0.507 181 R N 0.212 120.661 120.500 -0.086 0.000 2.103 181 R HA -0.221 4.124 4.340 0.007 0.000 0.242 181 R C 1.708 177.872 176.300 -0.227 0.000 1.142 181 R CA 1.982 57.823 56.100 -0.432 0.000 0.960 181 R CB -0.568 29.186 30.300 -0.911 0.000 0.858 181 R HN 0.125 nan 8.270 nan 0.000 0.439 182 N N 0.138 118.756 118.700 -0.137 0.000 2.463 182 N HA 0.007 4.751 4.740 0.007 0.000 0.181 182 N C -0.240 175.247 175.510 -0.038 0.000 1.078 182 N CA 0.688 53.680 53.050 -0.096 0.000 0.902 182 N CB 0.205 38.635 38.487 -0.094 0.000 0.970 182 N HN 0.168 nan 8.380 nan 0.000 0.451 183 A N 2.210 125.060 122.820 0.051 0.000 2.500 183 A HA 0.179 4.504 4.320 0.007 0.000 0.285 183 A C -1.278 176.317 177.584 0.019 0.000 1.183 183 A CA -0.816 51.268 52.037 0.078 0.000 0.851 183 A CB 0.137 19.250 19.000 0.188 0.000 1.091 183 A HN 0.029 nan 8.150 nan 0.000 0.521 184 P HA -0.084 nan 4.420 nan 0.000 0.225 184 P C 1.018 178.287 177.300 -0.053 0.000 1.148 184 P CA 1.047 64.106 63.100 -0.068 0.000 0.779 184 P CB 0.174 31.795 31.700 -0.132 0.000 0.780 185 R N -2.339 118.112 120.500 -0.082 0.000 2.334 185 R HA 0.172 4.517 4.340 0.007 0.000 0.216 185 R C 0.098 176.430 176.300 0.052 0.000 0.905 185 R CA -0.143 55.923 56.100 -0.057 0.000 1.064 185 R CB -0.179 29.932 30.300 -0.314 0.000 1.046 185 R HN 0.153 nan 8.270 nan 0.000 0.508 186 C N 0.582 119.907 119.300 0.041 0.000 2.265 186 C HA 0.228 4.693 4.460 0.007 0.000 0.332 186 C C 1.912 176.875 174.990 -0.046 0.000 1.248 186 C CA -0.665 58.394 59.018 0.067 0.000 1.727 186 C CB 0.522 28.381 27.740 0.198 0.000 2.348 186 C HN 0.273 nan 8.230 nan 0.000 0.519 187 V N 5.880 125.710 119.914 -0.139 0.000 3.217 187 V HA 0.143 4.267 4.120 0.007 0.000 0.264 187 V C 1.846 177.929 176.094 -0.019 0.000 1.135 187 V CA 2.214 64.316 62.300 -0.331 0.000 1.142 187 V CB -0.214 31.428 31.823 -0.302 0.000 0.754 187 V HN 1.074 nan 8.190 nan 0.000 0.484 188 G N -0.693 108.150 108.800 0.071 0.000 3.383 188 G HA2 0.053 4.018 3.960 0.007 0.000 0.251 188 G HA3 0.053 4.018 3.960 0.007 0.000 0.251 188 G C 1.195 176.131 174.900 0.060 0.000 1.203 188 G CA -0.362 44.807 45.100 0.116 0.000 0.852 188 G HN 0.441 nan 8.290 nan 0.000 0.531 189 R N -0.257 120.162 120.500 -0.136 0.000 2.307 189 R HA 0.226 4.570 4.340 0.007 0.000 0.199 189 R C 1.927 177.830 176.300 -0.660 0.000 1.000 189 R CA -0.083 55.647 56.100 -0.616 0.000 1.023 189 R CB -0.055 29.814 30.300 -0.718 0.000 0.908 189 R HN 0.394 nan 8.270 nan 0.000 0.473 190 I N 1.078 121.453 120.570 -0.326 0.000 2.567 190 I HA -0.247 3.928 4.170 0.007 0.000 0.257 190 I C 1.224 177.283 176.117 -0.096 0.000 1.184 190 I CA 1.239 62.520 61.300 -0.032 0.000 1.451 190 I CB 0.185 38.241 38.000 0.094 0.000 1.089 190 I HN 0.221 nan 8.210 nan 0.000 0.441 191 Q N 0.314 119.987 119.800 -0.211 0.000 2.403 191 Q HA -0.114 4.230 4.340 0.007 0.000 0.203 191 Q C 1.644 177.237 176.000 -0.679 0.000 0.932 191 Q CA 0.363 56.026 55.803 -0.234 0.000 0.945 191 Q CB -0.239 28.530 28.738 0.051 0.000 1.045 191 Q HN 0.761 nan 8.270 nan 0.000 0.511 192 W N 0.229 120.854 121.300 -1.125 0.000 2.308 192 W HA -0.167 4.499 4.660 0.010 0.000 0.301 192 W C 1.148 177.395 176.519 -0.454 0.000 1.220 192 W CA 1.347 57.907 57.345 -1.308 0.000 1.240 192 W CB -1.249 27.664 29.460 -0.913 0.000 1.142 192 W HN 0.108 nan 8.180 nan 0.000 0.521 193 G N 1.061 109.144 108.800 -1.196 0.000 2.712 193 G HA2 -0.097 3.868 3.960 0.007 0.000 0.212 193 G HA3 -0.097 3.868 3.960 0.007 0.000 0.212 193 G C 0.700 175.358 174.900 -0.403 0.000 1.142 193 G CA -0.146 44.308 45.100 -1.076 0.000 0.789 193 G HN 0.077 nan 8.290 nan 0.000 0.535 194 K N 0.402 120.683 120.400 -0.199 0.000 2.404 194 K HA 0.490 4.815 4.320 0.007 0.000 0.257 194 K C -1.807 174.893 176.600 0.167 0.000 1.026 194 K CA -0.625 55.658 56.287 -0.007 0.000 0.951 194 K CB 1.166 33.690 32.500 0.040 0.000 1.203 194 K HN 0.117 nan 8.250 nan 0.000 0.446 195 L N 3.249 124.547 121.223 0.126 0.000 2.639 195 L HA 0.213 4.558 4.340 0.007 0.000 0.264 195 L C -1.287 175.576 176.870 -0.012 0.000 0.948 195 L CA -0.406 54.526 54.840 0.153 0.000 0.912 195 L CB 1.871 44.103 42.059 0.289 0.000 1.294 195 L HN 0.359 nan 8.230 nan 0.000 0.412 196 Q N 2.854 122.597 119.800 -0.095 0.000 2.286 196 Q HA 0.414 4.759 4.340 0.007 0.000 0.265 196 Q C -1.128 174.540 176.000 -0.554 0.000 1.080 196 Q CA 0.312 55.866 55.803 -0.416 0.000 0.906 196 Q CB 0.745 29.109 28.738 -0.623 0.000 1.227 196 Q HN 0.517 nan 8.270 nan 0.000 0.409 197 V N 6.451 126.073 119.914 -0.487 0.000 2.348 197 V HA 0.303 4.427 4.120 0.007 0.000 0.270 197 V C -0.469 175.316 176.094 -0.515 0.000 1.037 197 V CA -0.409 61.672 62.300 -0.364 0.000 0.872 197 V CB 0.014 31.721 31.823 -0.194 0.000 1.002 197 V HN 0.572 nan 8.190 nan 0.000 0.464 198 F N 2.800 122.625 119.950 -0.208 0.000 2.405 198 F HA 0.369 4.898 4.527 0.003 0.000 0.355 198 F C 0.567 176.197 175.800 -0.282 0.000 1.121 198 F CA -0.831 57.033 58.000 -0.226 0.000 1.112 198 F CB 0.998 39.865 39.000 -0.221 0.000 1.126 198 F HN 0.389 nan 8.300 nan 0.000 0.481 199 D N 3.031 123.389 120.400 -0.071 0.000 2.316 199 D HA 0.425 5.069 4.640 0.007 0.000 0.245 199 D C -0.143 175.962 176.300 -0.324 0.000 1.171 199 D CA 0.123 54.007 54.000 -0.194 0.000 0.856 199 D CB 1.333 42.062 40.800 -0.119 0.000 1.090 199 D HN 0.645 nan 8.370 nan 0.000 0.476 200 A N 4.576 127.042 122.820 -0.589 0.000 2.643 200 A HA 0.174 4.499 4.320 0.007 0.000 0.295 200 A C 1.281 178.533 177.584 -0.555 0.000 1.065 200 A CA -0.413 51.027 52.037 -0.995 0.000 0.986 200 A CB 0.100 17.930 19.000 -1.950 0.000 1.212 200 A HN 0.528 nan 8.150 nan 0.000 0.516 201 R N 0.577 120.900 120.500 -0.296 0.000 2.328 201 R HA -0.022 4.322 4.340 0.007 0.000 0.200 201 R C 0.588 176.852 176.300 -0.061 0.000 0.983 201 R CA 1.005 57.022 56.100 -0.140 0.000 1.062 201 R CB 0.154 30.422 30.300 -0.053 0.000 0.956 201 R HN 0.662 nan 8.270 nan 0.000 0.479 202 D N -0.979 119.391 120.400 -0.050 0.000 2.379 202 D HA -0.058 4.586 4.640 0.007 0.000 0.208 202 D C 0.508 176.873 176.300 0.108 0.000 1.065 202 D CA -0.319 53.709 54.000 0.047 0.000 0.848 202 D CB -0.561 40.284 40.800 0.076 0.000 0.949 202 D HN -0.023 nan 8.370 nan 0.000 0.509 203 C N 1.810 121.167 119.300 0.095 0.000 2.563 203 C HA 0.277 4.741 4.460 0.007 0.000 0.411 203 C C 1.852 176.974 174.990 0.219 0.000 1.386 203 C CA 0.987 60.125 59.018 0.200 0.000 1.703 203 C CB -0.484 27.375 27.740 0.197 0.000 2.596 203 C HN 0.510 nan 8.230 nan 0.000 0.605 204 S N 2.340 118.216 115.700 0.294 0.000 2.679 204 S HA 0.260 4.735 4.470 0.007 0.000 0.258 204 S C 0.122 174.894 174.600 0.286 0.000 1.068 204 S CA 0.468 58.859 58.200 0.319 0.000 1.115 204 S CB -0.151 63.168 63.200 0.198 0.000 1.078 204 S HN 1.380 nan 8.310 nan 0.000 0.603 205 S N -0.189 115.671 115.700 0.265 0.000 2.627 205 S HA 0.846 5.320 4.470 0.007 0.000 0.283 205 S C 0.983 175.690 174.600 0.177 0.000 1.127 205 S CA -0.244 58.063 58.200 0.179 0.000 0.863 205 S CB 1.158 64.436 63.200 0.130 0.000 1.121 205 S HN 0.591 nan 8.310 nan 0.000 0.479 206 A N 1.022 123.916 122.820 0.123 0.000 1.902 206 A HA -0.083 4.242 4.320 0.007 0.000 0.217 206 A C 2.161 179.736 177.584 -0.016 0.000 1.181 206 A CA 2.186 54.281 52.037 0.096 0.000 0.623 206 A CB -1.430 17.672 19.000 0.169 0.000 0.818 206 A HN 0.945 nan 8.150 nan 0.000 0.443 207 Q N 0.097 119.947 119.800 0.082 0.000 2.062 207 Q HA -0.266 4.079 4.340 0.007 0.000 0.209 207 Q C 1.949 177.911 176.000 -0.064 0.000 0.996 207 Q CA 2.587 58.372 55.803 -0.029 0.000 0.859 207 Q CB -0.400 28.426 28.738 0.146 0.000 0.920 207 Q HN 0.767 nan 8.270 nan 0.000 0.415 208 E N -0.973 119.254 120.200 0.044 0.000 2.110 208 E HA -0.207 4.148 4.350 0.007 0.000 0.193 208 E C 1.900 178.603 176.600 0.173 0.000 0.988 208 E CA 1.312 57.766 56.400 0.089 0.000 0.804 208 E CB -0.116 29.685 29.700 0.168 0.000 0.745 208 E HN 0.488 nan 8.360 nan 0.000 0.458 209 M N -0.189 119.483 119.600 0.119 0.000 2.108 209 M HA -0.153 4.331 4.480 0.007 0.000 0.261 209 M C 2.136 178.482 176.300 0.076 0.000 1.066 209 M CA 1.249 56.597 55.300 0.080 0.000 1.107 209 M CB -0.399 32.062 32.600 -0.232 0.000 1.356 209 M HN 0.196 nan 8.290 nan 0.000 0.406 210 F N 1.582 121.316 119.950 -0.359 0.000 2.069 210 F HA -0.221 4.312 4.527 0.010 0.000 0.298 210 F C 2.365 178.046 175.800 -0.199 0.000 1.113 210 F CA 2.078 59.809 58.000 -0.450 0.000 1.214 210 F CB -1.011 37.394 39.000 -0.992 0.000 0.978 210 F HN 0.078 nan 8.300 nan 0.000 0.474 211 T N -0.204 114.192 114.554 -0.263 0.000 2.635 211 T HA -0.297 4.058 4.350 0.007 0.000 0.267 211 T C 1.777 176.319 174.700 -0.264 0.000 1.040 211 T CA 2.130 64.028 62.100 -0.336 0.000 1.156 211 T CB -0.985 67.719 68.868 -0.273 0.000 0.863 211 T HN 0.292 nan 8.240 nan 0.000 0.430 212 Y N 1.006 121.251 120.300 -0.091 0.000 2.128 212 Y HA -0.057 4.497 4.550 0.006 0.000 0.284 212 Y C 2.290 178.143 175.900 -0.078 0.000 1.154 212 Y CA 0.552 58.614 58.100 -0.063 0.000 1.149 212 Y CB -0.639 37.873 38.460 0.087 0.000 0.976 212 Y HN 0.197 nan 8.280 nan 0.000 0.505 213 I N -1.738 118.921 120.570 0.148 0.000 2.286 213 I HA -0.359 3.815 4.170 0.007 0.000 0.248 213 I C 2.255 178.320 176.117 -0.087 0.000 1.115 213 I CA 0.986 62.313 61.300 0.046 0.000 1.392 213 I CB -0.421 37.613 38.000 0.058 0.000 1.065 213 I HN 0.269 nan 8.210 nan 0.000 0.418 214 C N 0.428 119.570 119.300 -0.263 0.000 2.475 214 C HA -0.057 4.408 4.460 0.007 0.000 0.279 214 C C 2.597 177.480 174.990 -0.178 0.000 1.322 214 C CA 0.456 59.292 59.018 -0.303 0.000 1.734 214 C CB -1.272 26.140 27.740 -0.547 0.000 2.005 214 C HN 0.535 nan 8.230 nan 0.000 0.495 215 N N 0.365 118.950 118.700 -0.191 0.000 2.120 215 N HA -0.150 4.595 4.740 0.007 0.000 0.188 215 N C 1.432 176.849 175.510 -0.155 0.000 1.024 215 N CA 1.442 54.375 53.050 -0.196 0.000 0.852 215 N CB -0.839 37.474 38.487 -0.291 0.000 1.003 215 N HN 0.729 nan 8.380 nan 0.000 0.424 216 H N 0.678 119.603 119.070 -0.241 0.000 2.319 216 H HA 0.009 4.570 4.556 0.010 0.000 0.297 216 H C 2.071 177.402 175.328 0.005 0.000 1.097 216 H CA 1.663 57.628 56.048 -0.139 0.000 1.285 216 H CB -0.047 29.673 29.762 -0.071 0.000 1.368 216 H HN 0.118 nan 8.280 nan 0.000 0.495 217 I N 0.433 121.124 120.570 0.201 0.000 2.315 217 I HA -0.232 3.943 4.170 0.007 0.000 0.248 217 I C 2.362 178.537 176.117 0.097 0.000 1.117 217 I CA 1.157 62.543 61.300 0.143 0.000 1.404 217 I CB -0.238 37.779 38.000 0.029 0.000 1.071 217 I HN 0.312 nan 8.210 nan 0.000 0.419 218 K N 0.147 120.575 120.400 0.047 0.000 2.001 218 K HA -0.218 4.106 4.320 0.007 0.000 0.208 218 K C 2.248 178.883 176.600 0.059 0.000 1.048 218 K CA 1.656 57.959 56.287 0.027 0.000 0.932 218 K CB -0.419 32.074 32.500 -0.011 0.000 0.715 218 K HN 0.211 nan 8.250 nan 0.000 0.437 219 Y N 1.502 121.785 120.300 -0.028 0.000 2.097 219 Y HA -0.281 4.271 4.550 0.002 0.000 0.282 219 Y C 2.226 178.163 175.900 0.062 0.000 1.152 219 Y CA 1.811 59.922 58.100 0.018 0.000 1.136 219 Y CB -0.389 38.092 38.460 0.035 0.000 0.975 219 Y HN 0.062 nan 8.280 nan 0.000 0.498 220 A N -1.073 121.862 122.820 0.193 0.000 1.969 220 A HA -0.128 4.197 4.320 0.007 0.000 0.218 220 A C 2.137 179.772 177.584 0.085 0.000 1.169 220 A CA 2.059 54.194 52.037 0.163 0.000 0.635 220 A CB -1.116 18.045 19.000 0.268 0.000 0.810 220 A HN 0.544 nan 8.150 nan 0.000 0.445 221 T N -0.390 114.206 114.554 0.070 0.000 2.851 221 T HA -0.039 4.316 4.350 0.007 0.000 0.262 221 T C 1.035 175.737 174.700 0.003 0.000 1.043 221 T CA 0.798 62.935 62.100 0.061 0.000 1.140 221 T CB -0.359 68.547 68.868 0.063 0.000 0.872 221 T HN 0.576 nan 8.240 nan 0.000 0.446 222 N N 1.468 120.136 118.700 -0.053 0.000 2.702 222 N HA -0.259 4.486 4.740 0.007 0.000 0.255 222 N C -0.051 175.431 175.510 -0.046 0.000 0.983 222 N CA 0.498 53.496 53.050 -0.088 0.000 0.768 222 N CB -1.239 37.153 38.487 -0.157 0.000 0.918 222 N HN 0.500 nan 8.380 nan 0.000 0.540 223 R N -2.393 118.093 120.500 -0.024 0.000 3.847 223 R HA -0.239 4.106 4.340 0.007 0.000 0.304 223 R C 1.257 177.547 176.300 -0.017 0.000 1.203 223 R CA 1.260 57.349 56.100 -0.018 0.000 0.835 223 R CB -1.880 28.405 30.300 -0.024 0.000 1.253 223 R HN 0.903 nan 8.270 nan 0.000 0.516 224 G N -0.455 108.343 108.800 -0.003 0.000 2.284 224 G HA2 -0.276 3.688 3.960 0.007 0.000 0.201 224 G HA3 -0.276 3.688 3.960 0.007 0.000 0.201 224 G C -0.098 174.796 174.900 -0.010 0.000 0.998 224 G CA -0.043 45.059 45.100 0.004 0.000 0.651 224 G HN 0.302 nan 8.290 nan 0.000 0.489 225 N N 1.649 120.329 118.700 -0.033 0.000 3.298 225 N HA 0.411 5.155 4.740 0.007 0.000 0.292 225 N C 0.543 176.026 175.510 -0.045 0.000 1.271 225 N CA -0.439 52.573 53.050 -0.063 0.000 1.184 225 N CB -0.396 38.049 38.487 -0.069 0.000 1.452 225 N HN 0.181 nan 8.380 nan 0.000 0.534 226 L N 1.532 122.757 121.223 0.004 0.000 2.529 226 L HA 0.085 4.429 4.340 0.007 0.000 0.287 226 L C 0.807 177.812 176.870 0.225 0.000 1.241 226 L CA 0.941 55.866 54.840 0.142 0.000 0.857 226 L CB 0.013 42.251 42.059 0.299 0.000 1.113 226 L HN 0.327 nan 8.230 nan 0.000 0.504 227 R N 1.216 121.848 120.500 0.220 0.000 2.502 227 R HA 0.377 4.722 4.340 0.007 0.000 0.300 227 R C -0.584 175.881 176.300 0.276 0.000 0.984 227 R CA -0.628 55.618 56.100 0.244 0.000 0.882 227 R CB 1.542 31.846 30.300 0.007 0.000 1.180 227 R HN 0.580 nan 8.270 nan 0.000 0.444 228 S N 1.752 117.607 115.700 0.257 0.000 2.546 228 S HA 0.315 4.789 4.470 0.007 0.000 0.290 228 S C -0.078 174.587 174.600 0.107 0.000 1.290 228 S CA -0.033 58.216 58.200 0.082 0.000 1.069 228 S CB 0.865 64.060 63.200 -0.008 0.000 0.846 228 S HN 0.702 nan 8.310 nan 0.000 0.495 229 A N 2.908 125.763 122.820 0.059 0.000 2.602 229 A HA 0.860 5.185 4.320 0.007 0.000 0.290 229 A C -1.229 176.428 177.584 0.121 0.000 1.114 229 A CA -0.727 51.308 52.037 -0.003 0.000 0.683 229 A CB 1.289 20.244 19.000 -0.076 0.000 1.281 229 A HN 0.807 nan 8.150 nan 0.000 0.416 230 I N 0.387 121.031 120.570 0.123 0.000 2.644 230 I HA 0.546 4.721 4.170 0.007 0.000 0.291 230 I C -1.170 175.074 176.117 0.211 0.000 1.180 230 I CA -0.047 61.419 61.300 0.277 0.000 1.040 230 I CB 2.304 40.414 38.000 0.184 0.000 1.255 230 I HN 0.607 nan 8.210 nan 0.000 0.422 231 T N 6.515 121.216 114.554 0.246 0.000 2.771 231 T HA 0.449 4.803 4.350 0.007 0.000 0.281 231 T C -0.556 173.965 174.700 -0.298 0.000 0.982 231 T CA -0.380 61.702 62.100 -0.030 0.000 0.978 231 T CB 1.526 70.371 68.868 -0.038 0.000 0.930 231 T HN 0.272 nan 8.240 nan 0.000 0.447 232 V N 5.198 124.854 119.914 -0.431 0.000 2.328 232 V HA 0.421 4.545 4.120 0.007 0.000 0.278 232 V C -0.306 175.429 176.094 -0.599 0.000 1.021 232 V CA -0.796 61.235 62.300 -0.449 0.000 0.838 232 V CB -0.223 31.306 31.823 -0.491 0.000 0.999 232 V HN 0.719 nan 8.190 nan 0.000 0.447 233 F N 5.412 125.216 119.950 -0.243 0.000 2.352 233 F HA 0.456 4.988 4.527 0.009 0.000 0.304 233 F C -1.796 173.883 175.800 -0.203 0.000 1.215 233 F CA -2.376 55.407 58.000 -0.362 0.000 1.121 233 F CB -0.001 38.728 39.000 -0.451 0.000 1.329 233 F HN 0.278 nan 8.300 nan 0.000 0.528 234 P HA 0.050 nan 4.420 nan 0.000 0.268 234 P C -1.198 176.245 177.300 0.238 0.000 1.204 234 P CA -0.308 62.834 63.100 0.070 0.000 0.768 234 P CB 0.248 31.963 31.700 0.025 0.000 0.842 235 Q N 2.933 122.842 119.800 0.182 0.000 2.428 235 Q HA 0.103 4.448 4.340 0.007 0.000 0.276 235 Q C 0.042 176.001 176.000 -0.069 0.000 1.059 235 Q CA -0.374 55.313 55.803 -0.193 0.000 0.923 235 Q CB 0.473 28.854 28.738 -0.596 0.000 1.283 235 Q HN 0.325 nan 8.270 nan 0.000 0.447 236 R N 0.285 120.711 120.500 -0.124 0.000 2.619 236 R HA 0.115 4.460 4.340 0.007 0.000 0.268 236 R C -0.673 175.585 176.300 -0.071 0.000 0.990 236 R CA 0.874 56.936 56.100 -0.063 0.000 1.092 236 R CB 0.225 30.468 30.300 -0.094 0.000 0.935 236 R HN 0.749 nan 8.270 nan 0.000 0.415 237 A N 5.175 127.982 122.820 -0.022 0.000 2.413 237 A HA 0.577 4.901 4.320 0.007 0.000 0.307 237 A C -2.371 175.202 177.584 -0.017 0.000 1.087 237 A CA -1.707 50.318 52.037 -0.020 0.000 0.750 237 A CB 1.328 20.339 19.000 0.018 0.000 1.296 237 A HN 0.476 nan 8.150 nan 0.000 0.423 238 P HA 0.153 nan 4.420 nan 0.000 0.262 238 P C 0.994 178.293 177.300 -0.003 0.000 1.182 238 P CA 1.611 64.705 63.100 -0.009 0.000 0.761 238 P CB 0.371 32.068 31.700 -0.004 0.000 0.795 239 G N 2.205 111.002 108.800 -0.005 0.000 2.280 239 G HA2 -0.292 3.673 3.960 0.007 0.000 0.282 239 G HA3 -0.292 3.673 3.960 0.007 0.000 0.282 239 G C 0.422 175.320 174.900 -0.003 0.000 1.000 239 G CA 0.234 45.333 45.100 -0.003 0.000 0.751 239 G HN 0.764 nan 8.290 nan 0.000 0.515 240 R N 0.331 120.829 120.500 -0.004 0.000 2.637 240 R HA 0.581 4.926 4.340 0.007 0.000 0.291 240 R C 0.904 177.193 176.300 -0.018 0.000 0.963 240 R CA 0.148 56.244 56.100 -0.008 0.000 0.901 240 R CB 1.054 31.357 30.300 0.004 0.000 1.160 240 R HN 0.258 nan 8.270 nan 0.000 0.457 241 G N 1.696 110.474 108.800 -0.038 0.000 2.684 241 G HA2 0.044 4.009 3.960 0.007 0.000 0.255 241 G HA3 0.044 4.009 3.960 0.007 0.000 0.255 241 G C -0.555 174.312 174.900 -0.056 0.000 1.219 241 G CA -0.273 44.799 45.100 -0.046 0.000 0.901 241 G HN 0.560 nan 8.290 nan 0.000 0.548 242 D N -1.123 119.256 120.400 -0.034 0.000 2.332 242 D HA 0.431 5.075 4.640 0.007 0.000 0.252 242 D C -0.509 175.770 176.300 -0.035 0.000 1.050 242 D CA -0.152 53.856 54.000 0.014 0.000 0.970 242 D CB 1.157 41.985 40.800 0.047 0.000 1.141 242 D HN 0.112 nan 8.370 nan 0.000 0.485 243 F N 1.196 121.169 119.950 0.038 0.000 2.411 243 F HA 0.380 4.912 4.527 0.009 0.000 0.350 243 F C 0.897 176.717 175.800 0.033 0.000 1.114 243 F CA -0.114 57.893 58.000 0.010 0.000 1.135 243 F CB 0.745 39.741 39.000 -0.008 0.000 1.120 243 F HN -0.223 nan 8.300 nan 0.000 0.495 244 R N 4.231 124.860 120.500 0.215 0.000 2.604 244 R HA 0.480 4.825 4.340 0.007 0.000 0.281 244 R C -1.115 175.332 176.300 0.245 0.000 1.020 244 R CA -0.821 55.413 56.100 0.223 0.000 0.899 244 R CB 2.226 32.681 30.300 0.258 0.000 1.205 244 R HN 0.633 nan 8.270 nan 0.000 0.450 245 I N 2.261 122.947 120.570 0.194 0.000 2.342 245 I HA 0.132 4.307 4.170 0.007 0.000 0.291 245 I C 0.639 176.955 176.117 0.331 0.000 1.010 245 I CA -0.367 61.052 61.300 0.199 0.000 1.308 245 I CB 0.907 38.964 38.000 0.095 0.000 1.400 245 I HN 0.503 nan 8.210 nan 0.000 0.488 246 W N 3.381 124.707 121.300 0.043 0.000 2.453 246 W HA -0.021 4.643 4.660 0.007 0.000 0.289 246 W C 0.919 177.526 176.519 0.146 0.000 1.215 246 W CA -0.010 57.420 57.345 0.142 0.000 1.297 246 W CB -0.808 28.732 29.460 0.133 0.000 1.113 246 W HN 0.403 nan 8.180 nan 0.000 0.551 247 N N 0.443 119.298 118.700 0.258 0.000 2.458 247 N HA -0.020 4.724 4.740 0.007 0.000 0.258 247 N C 1.323 176.892 175.510 0.099 0.000 1.219 247 N CA 0.922 54.052 53.050 0.133 0.000 0.902 247 N CB 0.709 39.210 38.487 0.022 0.000 1.076 247 N HN -0.075 nan 8.380 nan 0.000 0.455 248 S N 1.376 117.136 115.700 0.101 0.000 2.383 248 S HA -0.115 4.360 4.470 0.007 0.000 0.227 248 S C 0.437 175.037 174.600 0.000 0.000 1.026 248 S CA 0.860 59.102 58.200 0.069 0.000 0.981 248 S CB 0.003 63.279 63.200 0.128 0.000 0.818 248 S HN 0.666 nan 8.310 nan 0.000 0.472 249 Q N -0.824 118.963 119.800 -0.022 0.000 2.458 249 Q HA 0.554 4.898 4.340 0.007 0.000 0.282 249 Q C 0.467 176.383 176.000 -0.140 0.000 1.106 249 Q CA -0.587 55.158 55.803 -0.097 0.000 0.814 249 Q CB 1.860 30.561 28.738 -0.062 0.000 1.425 249 Q HN 0.112 nan 8.270 nan 0.000 0.437 250 L N 0.030 121.138 121.223 -0.190 0.000 2.109 250 L HA 0.046 4.390 4.340 0.007 0.000 0.207 250 L C 0.251 176.970 176.870 -0.252 0.000 1.086 250 L CA 0.819 55.546 54.840 -0.188 0.000 0.760 250 L CB 0.315 42.254 42.059 -0.200 0.000 0.910 250 L HN 0.280 nan 8.230 nan 0.000 0.437 251 V N 1.044 120.718 119.914 -0.400 0.000 2.376 251 V HA 0.415 4.540 4.120 0.007 0.000 0.287 251 V C -0.248 175.267 176.094 -0.964 0.000 1.015 251 V CA -0.568 61.325 62.300 -0.678 0.000 0.834 251 V CB 1.525 32.848 31.823 -0.834 0.000 1.001 251 V HN 0.215 nan 8.190 nan 0.000 0.428 252 R N 2.822 122.928 120.500 -0.657 0.000 2.740 252 R HA 0.550 4.894 4.340 0.007 0.000 0.273 252 R C -1.755 174.332 176.300 -0.354 0.000 0.998 252 R CA -0.922 54.908 56.100 -0.450 0.000 0.900 252 R CB 2.666 32.881 30.300 -0.142 0.000 1.223 252 R HN 0.522 nan 8.270 nan 0.000 0.466 253 Y N 0.530 120.823 120.300 -0.011 0.000 2.304 253 Y HA 0.343 4.898 4.550 0.008 0.000 0.328 253 Y C 0.891 176.761 175.900 -0.050 0.000 1.123 253 Y CA -0.526 57.577 58.100 0.004 0.000 1.218 253 Y CB 1.074 39.587 38.460 0.088 0.000 1.207 253 Y HN 0.670 nan 8.280 nan 0.000 0.495 254 A N 1.941 124.814 122.820 0.088 0.000 2.520 254 A HA 0.463 4.787 4.320 0.007 0.000 0.235 254 A C 0.663 178.018 177.584 -0.382 0.000 1.065 254 A CA 0.499 52.443 52.037 -0.156 0.000 0.764 254 A CB -0.377 18.537 19.000 -0.144 0.000 1.002 254 A HN 0.945 nan 8.150 nan 0.000 0.502 255 G N 0.750 109.304 108.800 -0.411 0.000 2.626 255 G HA2 0.556 4.520 3.960 0.007 0.000 0.304 255 G HA3 0.556 4.520 3.960 0.007 0.000 0.304 255 G C -1.271 173.431 174.900 -0.329 0.000 1.385 255 G CA -0.308 44.564 45.100 -0.380 0.000 0.957 255 G HN 0.509 nan 8.290 nan 0.000 0.504 256 Y N 1.339 121.651 120.300 0.021 0.000 2.334 256 Y HA 0.485 5.039 4.550 0.007 0.000 0.336 256 Y C 0.899 176.801 175.900 0.003 0.000 0.960 256 Y CA -1.225 56.888 58.100 0.022 0.000 1.164 256 Y CB 1.420 39.889 38.460 0.014 0.000 1.155 256 Y HN 0.471 nan 8.280 nan 0.000 0.478 257 R N 2.902 123.490 120.500 0.147 0.000 2.537 257 R HA 0.166 4.510 4.340 0.007 0.000 0.280 257 R C -0.336 176.008 176.300 0.073 0.000 1.058 257 R CA -0.202 55.948 56.100 0.083 0.000 1.057 257 R CB 0.513 30.850 30.300 0.062 0.000 0.973 257 R HN 0.653 nan 8.270 nan 0.000 0.438 258 Q N 2.100 121.928 119.800 0.048 0.000 2.240 258 Q HA 0.095 4.439 4.340 0.007 0.000 0.260 258 Q C 0.877 176.889 176.000 0.019 0.000 1.018 258 Q CA -0.629 55.194 55.803 0.032 0.000 0.898 258 Q CB 1.257 30.011 28.738 0.027 0.000 1.301 258 Q HN 0.648 nan 8.270 nan 0.000 0.469 259 Q N 0.541 120.347 119.800 0.010 0.000 2.096 259 Q HA -0.235 4.110 4.340 0.007 0.000 0.208 259 Q C 0.839 176.844 176.000 0.008 0.000 0.993 259 Q CA 2.088 57.894 55.803 0.006 0.000 0.862 259 Q CB -0.114 28.624 28.738 -0.000 0.000 0.915 259 Q HN 0.568 nan 8.270 nan 0.000 0.416 260 D N -0.772 119.633 120.400 0.008 0.000 2.221 260 D HA -0.084 4.561 4.640 0.007 0.000 0.204 260 D C 1.430 177.736 176.300 0.011 0.000 0.982 260 D CA 1.497 55.502 54.000 0.008 0.000 0.857 260 D CB -0.322 40.482 40.800 0.008 0.000 0.934 260 D HN 0.551 nan 8.370 nan 0.000 0.475 261 G N -0.188 108.621 108.800 0.014 0.000 2.308 261 G HA2 -0.295 3.670 3.960 0.007 0.000 0.221 261 G HA3 -0.295 3.670 3.960 0.007 0.000 0.221 261 G C 0.632 175.542 174.900 0.017 0.000 1.032 261 G CA 0.418 45.528 45.100 0.017 0.000 0.623 261 G HN 0.679 nan 8.290 nan 0.000 0.506 262 S N -0.209 115.499 115.700 0.014 0.000 2.563 262 S HA 0.483 4.958 4.470 0.007 0.000 0.269 262 S C 0.262 174.868 174.600 0.009 0.000 1.364 262 S CA 0.356 58.562 58.200 0.009 0.000 1.010 262 S CB 1.836 65.041 63.200 0.008 0.000 0.877 262 S HN 1.237 nan 8.310 nan 0.000 0.549 263 V N 1.920 121.829 119.914 -0.008 0.000 2.459 263 V HA 0.492 4.617 4.120 0.007 0.000 0.295 263 V C 0.343 176.414 176.094 -0.038 0.000 1.029 263 V CA -0.817 61.471 62.300 -0.020 0.000 0.874 263 V CB 1.472 33.264 31.823 -0.052 0.000 0.985 263 V HN 0.929 nan 8.190 nan 0.000 0.438 264 R N 3.042 123.547 120.500 0.009 0.000 2.229 264 R HA 0.635 4.979 4.340 0.007 0.000 0.328 264 R C 0.546 176.795 176.300 -0.085 0.000 1.009 264 R CA 0.943 57.050 56.100 0.013 0.000 0.864 264 R CB 0.716 31.095 30.300 0.131 0.000 1.085 264 R HN 1.122 nan 8.270 nan 0.000 0.453 265 G N 2.953 111.621 108.800 -0.220 0.000 2.443 265 G HA2 -0.227 3.738 3.960 0.007 0.000 0.209 265 G HA3 -0.227 3.738 3.960 0.007 0.000 0.209 265 G C -1.444 173.092 174.900 -0.606 0.000 1.176 265 G CA -0.194 44.693 45.100 -0.354 0.000 1.074 265 G HN 0.612 nan 8.290 nan 0.000 0.577 266 D N 1.495 121.638 120.400 -0.429 0.000 2.373 266 D HA 0.570 5.214 4.640 0.007 0.000 0.227 266 D C -1.238 174.940 176.300 -0.204 0.000 1.091 266 D CA -1.943 51.806 54.000 -0.419 0.000 0.840 266 D CB 1.661 42.497 40.800 0.061 0.000 1.060 266 D HN -0.017 nan 8.370 nan 0.000 0.502 267 P HA -0.050 nan 4.420 nan 0.000 0.225 267 P C 0.934 178.239 177.300 0.009 0.000 1.148 267 P CA 0.698 63.752 63.100 -0.076 0.000 0.779 267 P CB 0.266 31.931 31.700 -0.059 0.000 0.780 268 A N -0.298 122.544 122.820 0.037 0.000 2.019 268 A HA -0.148 4.176 4.320 0.007 0.000 0.219 268 A C 1.728 179.373 177.584 0.102 0.000 1.164 268 A CA 1.540 53.637 52.037 0.099 0.000 0.644 268 A CB -0.837 18.245 19.000 0.136 0.000 0.805 268 A HN 0.146 nan 8.150 nan 0.000 0.449 269 N N -0.792 117.946 118.700 0.063 0.000 2.234 269 N HA 0.166 4.911 4.740 0.007 0.000 0.227 269 N C 1.091 176.616 175.510 0.025 0.000 1.151 269 N CA 0.160 53.244 53.050 0.057 0.000 0.865 269 N CB 0.648 39.162 38.487 0.045 0.000 1.066 269 N HN 0.173 nan 8.380 nan 0.000 0.515 270 V N 0.939 120.872 119.914 0.031 0.000 2.255 270 V HA -0.241 3.884 4.120 0.007 0.000 0.247 270 V C 2.343 178.461 176.094 0.041 0.000 1.051 270 V CA 1.798 64.116 62.300 0.029 0.000 1.018 270 V CB -0.237 31.610 31.823 0.040 0.000 0.641 270 V HN 0.359 nan 8.190 nan 0.000 0.445 271 E N -0.553 119.683 120.200 0.061 0.000 2.031 271 E HA -0.263 4.092 4.350 0.007 0.000 0.193 271 E C 2.146 178.694 176.600 -0.087 0.000 0.994 271 E CA 1.790 58.211 56.400 0.035 0.000 0.800 271 E CB -0.197 29.596 29.700 0.156 0.000 0.752 271 E HN 0.503 nan 8.360 nan 0.000 0.447 272 I N 0.757 121.285 120.570 -0.070 0.000 2.286 272 I HA -0.255 3.920 4.170 0.007 0.000 0.248 272 I C 2.050 178.119 176.117 -0.080 0.000 1.115 272 I CA 1.565 62.777 61.300 -0.146 0.000 1.392 272 I CB -0.336 37.650 38.000 -0.023 0.000 1.065 272 I HN 0.111 nan 8.210 nan 0.000 0.418 273 T N 0.038 114.584 114.554 -0.012 0.000 2.652 273 T HA -0.247 4.107 4.350 0.007 0.000 0.267 273 T C 1.798 176.577 174.700 0.133 0.000 1.039 273 T CA 1.980 64.126 62.100 0.077 0.000 1.153 273 T CB -0.433 68.492 68.868 0.094 0.000 0.863 273 T HN 0.436 nan 8.240 nan 0.000 0.428 274 E N 0.586 120.833 120.200 0.079 0.000 2.097 274 E HA -0.094 4.260 4.350 0.007 0.000 0.196 274 E C 2.190 178.811 176.600 0.034 0.000 1.000 274 E CA 0.872 57.312 56.400 0.067 0.000 0.804 274 E CB -0.357 29.363 29.700 0.033 0.000 0.740 274 E HN 0.394 nan 8.360 nan 0.000 0.454 275 L N -0.006 121.190 121.223 -0.046 0.000 2.046 275 L HA -0.260 4.085 4.340 0.007 0.000 0.208 275 L C 2.504 179.441 176.870 0.112 0.000 1.077 275 L CA 0.846 55.672 54.840 -0.023 0.000 0.747 275 L CB -0.310 41.620 42.059 -0.215 0.000 0.896 275 L HN 0.353 nan 8.230 nan 0.000 0.432 276 C N -0.190 119.147 119.300 0.062 0.000 2.432 276 C HA -0.148 4.316 4.460 0.007 0.000 0.277 276 C C 2.686 177.830 174.990 0.256 0.000 1.249 276 C CA 0.467 59.542 59.018 0.095 0.000 1.725 276 C CB -0.663 27.050 27.740 -0.046 0.000 2.028 276 C HN 0.433 nan 8.230 nan 0.000 0.477 277 I N 0.474 121.220 120.570 0.293 0.000 2.286 277 I HA -0.273 3.901 4.170 0.007 0.000 0.248 277 I C 2.677 178.852 176.117 0.096 0.000 1.115 277 I CA 1.538 62.969 61.300 0.218 0.000 1.392 277 I CB -0.572 37.523 38.000 0.159 0.000 1.065 277 I HN 0.455 nan 8.210 nan 0.000 0.418 278 Q N -0.268 119.566 119.800 0.055 0.000 2.170 278 Q HA -0.214 4.131 4.340 0.007 0.000 0.203 278 Q C 1.246 177.161 176.000 -0.142 0.000 0.976 278 Q CA 1.337 57.107 55.803 -0.055 0.000 0.858 278 Q CB -0.077 28.603 28.738 -0.096 0.000 0.907 278 Q HN 0.611 nan 8.270 nan 0.000 0.433 279 H N -1.754 117.299 119.070 -0.028 0.000 2.538 279 H HA 0.210 4.771 4.556 0.008 0.000 0.286 279 H C 0.697 175.995 175.328 -0.049 0.000 1.035 279 H CA 0.553 56.558 56.048 -0.071 0.000 1.169 279 H CB 0.577 30.253 29.762 -0.144 0.000 1.417 279 H HN 0.406 nan 8.280 nan 0.000 0.567 280 G N -0.360 108.479 108.800 0.065 0.000 2.179 280 G HA2 -0.259 3.705 3.960 0.007 0.000 0.220 280 G HA3 -0.259 3.705 3.960 0.007 0.000 0.220 280 G C -0.092 174.873 174.900 0.108 0.000 0.990 280 G CA -0.209 44.917 45.100 0.044 0.000 0.646 280 G HN 0.369 nan 8.290 nan 0.000 0.517 281 W N 3.430 124.704 121.300 -0.043 0.000 2.303 281 W HA 0.575 5.240 4.660 0.008 0.000 0.318 281 W C 0.603 177.107 176.519 -0.025 0.000 1.362 281 W CA 0.409 57.731 57.345 -0.037 0.000 1.234 281 W CB 0.453 29.900 29.460 -0.021 0.000 1.248 281 W HN 0.162 nan 8.180 nan 0.000 0.546 282 T N 9.409 123.701 114.554 -0.436 0.000 2.737 282 T HA 0.242 4.596 4.350 0.007 0.000 0.296 282 T C -2.163 171.787 174.700 -1.249 0.000 0.922 282 T CA -1.156 60.589 62.100 -0.593 0.000 1.079 282 T CB 0.608 69.274 68.868 -0.338 0.000 0.892 282 T HN 0.235 nan 8.240 nan 0.000 0.514 283 P HA 0.413 nan 4.420 nan 0.000 0.279 283 P C 0.483 177.329 177.300 -0.756 0.000 1.252 283 P CA -0.389 61.890 63.100 -1.368 0.000 0.811 283 P CB 0.927 32.206 31.700 -0.702 0.000 1.035 284 G N 0.776 109.294 108.800 -0.471 0.000 2.509 284 G HA2 0.204 4.169 3.960 0.007 0.000 0.269 284 G HA3 0.204 4.169 3.960 0.007 0.000 0.269 284 G C -0.041 174.606 174.900 -0.422 0.000 1.416 284 G CA -0.259 44.715 45.100 -0.212 0.000 1.052 284 G HN 0.567 nan 8.290 nan 0.000 0.542 285 N N -1.014 117.575 118.700 -0.186 0.000 2.545 285 N HA 0.251 4.995 4.740 0.007 0.000 0.283 285 N C 0.137 175.695 175.510 0.080 0.000 1.596 285 N CA 0.059 52.966 53.050 -0.238 0.000 0.862 285 N CB 0.575 38.928 38.487 -0.222 0.000 1.422 285 N HN 0.675 nan 8.380 nan 0.000 0.489 286 G N -0.559 108.414 108.800 0.288 0.000 2.597 286 G HA2 0.364 4.328 3.960 0.007 0.000 0.317 286 G HA3 0.364 4.328 3.960 0.007 0.000 0.317 286 G C 0.530 175.530 174.900 0.167 0.000 1.230 286 G CA -0.493 44.736 45.100 0.216 0.000 0.996 286 G HN 0.209 nan 8.290 nan 0.000 0.490 287 R N -1.157 119.347 120.500 0.007 0.000 2.275 287 R HA 0.132 4.476 4.340 0.007 0.000 0.199 287 R C -0.173 175.654 176.300 -0.787 0.000 0.989 287 R CA 0.740 56.630 56.100 -0.352 0.000 1.016 287 R CB 0.044 30.053 30.300 -0.485 0.000 0.918 287 R HN 0.382 nan 8.270 nan 0.000 0.473 288 F N 0.185 120.094 119.950 -0.069 0.000 2.671 288 F HA 0.225 4.756 4.527 0.008 0.000 0.384 288 F C -0.713 175.082 175.800 -0.009 0.000 1.351 288 F CA -1.149 56.581 58.000 -0.451 0.000 1.151 288 F CB 0.557 39.188 39.000 -0.614 0.000 1.147 288 F HN -0.261 nan 8.300 nan 0.000 0.513 289 D N 1.604 122.184 120.400 0.301 0.000 2.308 289 D HA 0.233 4.878 4.640 0.007 0.000 0.251 289 D C 0.241 176.802 176.300 0.436 0.000 1.127 289 D CA 0.176 54.417 54.000 0.402 0.000 0.876 289 D CB 2.300 43.394 40.800 0.489 0.000 1.176 289 D HN -0.109 nan 8.370 nan 0.000 0.446 290 V N 3.427 123.548 119.914 0.344 0.000 2.555 290 V HA 0.066 4.191 4.120 0.007 0.000 0.286 290 V C 0.978 177.073 176.094 0.002 0.000 1.044 290 V CA -0.549 61.833 62.300 0.137 0.000 1.026 290 V CB 0.450 32.309 31.823 0.060 0.000 0.981 290 V HN 0.340 nan 8.190 nan 0.000 0.480 291 L N 7.892 129.017 121.223 -0.165 0.000 2.461 291 L HA 0.287 4.631 4.340 0.007 0.000 0.272 291 L C -1.677 174.923 176.870 -0.450 0.000 1.197 291 L CA -1.173 53.422 54.840 -0.407 0.000 0.836 291 L CB 0.687 42.553 42.059 -0.320 0.000 1.105 291 L HN 0.507 nan 8.230 nan 0.000 0.477 292 P HA 0.231 nan 4.420 nan 0.000 0.278 292 P C -1.150 175.945 177.300 -0.342 0.000 1.266 292 P CA -0.648 62.147 63.100 -0.508 0.000 0.807 292 P CB 0.967 32.222 31.700 -0.741 0.000 1.094 293 L N 1.017 122.120 121.223 -0.200 0.000 2.289 293 L HA 0.313 4.658 4.340 0.007 0.000 0.285 293 L C -0.064 176.723 176.870 -0.137 0.000 1.049 293 L CA -0.454 54.323 54.840 -0.105 0.000 0.804 293 L CB 0.326 42.399 42.059 0.022 0.000 1.195 293 L HN 0.229 nan 8.230 nan 0.000 0.428 294 L N 5.354 126.484 121.223 -0.156 0.000 2.276 294 L HA 0.524 4.869 4.340 0.007 0.000 0.286 294 L C -0.549 176.163 176.870 -0.264 0.000 1.024 294 L CA 0.049 54.697 54.840 -0.319 0.000 0.826 294 L CB 0.747 42.547 42.059 -0.432 0.000 1.211 294 L HN 0.396 nan 8.230 nan 0.000 0.422 295 L N 3.789 124.883 121.223 -0.213 0.000 2.346 295 L HA 0.616 4.960 4.340 0.007 0.000 0.274 295 L C -0.366 176.405 176.870 -0.166 0.000 1.007 295 L CA -0.638 54.140 54.840 -0.105 0.000 0.818 295 L CB 2.078 44.145 42.059 0.013 0.000 1.284 295 L HN 0.525 nan 8.230 nan 0.000 0.424 296 Q N 2.328 122.078 119.800 -0.084 0.000 2.337 296 Q HA 0.640 4.985 4.340 0.007 0.000 0.264 296 Q C -1.114 174.830 176.000 -0.093 0.000 1.007 296 Q CA -0.527 55.226 55.803 -0.084 0.000 0.727 296 Q CB 1.963 30.732 28.738 0.051 0.000 1.256 296 Q HN 0.784 nan 8.270 nan 0.000 0.467 297 A N 4.769 127.493 122.820 -0.160 0.000 2.386 297 A HA 0.554 4.879 4.320 0.007 0.000 0.248 297 A C -2.322 174.981 177.584 -0.469 0.000 1.082 297 A CA -1.278 50.504 52.037 -0.424 0.000 0.789 297 A CB -0.141 18.731 19.000 -0.213 0.000 1.025 297 A HN 0.636 nan 8.150 nan 0.000 0.490 298 P HA 0.077 nan 4.420 nan 0.000 0.261 298 P C -0.277 176.898 177.300 -0.208 0.000 1.183 298 P CA 0.679 63.527 63.100 -0.421 0.000 0.761 298 P CB 0.242 31.686 31.700 -0.427 0.000 0.785 299 D N -0.441 119.891 120.400 -0.113 0.000 2.946 299 D HA -0.160 4.484 4.640 0.007 0.000 0.202 299 D C -0.041 176.236 176.300 -0.038 0.000 1.068 299 D CA 1.329 55.296 54.000 -0.054 0.000 1.011 299 D CB -0.758 40.013 40.800 -0.047 0.000 1.105 299 D HN 0.550 nan 8.370 nan 0.000 0.425 300 E N -0.072 120.094 120.200 -0.057 0.000 2.239 300 E HA 0.658 5.013 4.350 0.007 0.000 0.261 300 E C 0.214 176.800 176.600 -0.024 0.000 1.016 300 E CA -0.501 55.876 56.400 -0.039 0.000 0.882 300 E CB 1.215 30.883 29.700 -0.053 0.000 1.190 300 E HN 0.180 nan 8.360 nan 0.000 0.415 301 A N 1.921 124.728 122.820 -0.021 0.000 2.313 301 A HA 0.386 4.711 4.320 0.007 0.000 0.261 301 A C -2.182 175.305 177.584 -0.162 0.000 1.090 301 A CA -1.172 50.846 52.037 -0.031 0.000 0.807 301 A CB -0.205 18.806 19.000 0.018 0.000 1.055 301 A HN 0.358 nan 8.150 nan 0.000 0.492 302 P HA 0.273 nan 4.420 nan 0.000 0.281 302 P C -0.769 176.247 177.300 -0.473 0.000 1.252 302 P CA -0.013 62.732 63.100 -0.591 0.000 0.778 302 P CB 0.791 31.681 31.700 -1.351 0.000 0.895 303 E N 1.334 121.349 120.200 -0.307 0.000 2.283 303 E HA 0.393 4.748 4.350 0.007 0.000 0.271 303 E C -0.537 175.790 176.600 -0.456 0.000 1.031 303 E CA -0.930 55.266 56.400 -0.339 0.000 0.868 303 E CB 0.830 30.375 29.700 -0.259 0.000 1.094 303 E HN 0.307 nan 8.360 nan 0.000 0.401 304 L N 2.770 123.621 121.223 -0.620 0.000 2.275 304 L HA 0.435 4.780 4.340 0.007 0.000 0.288 304 L C -1.636 174.706 176.870 -0.879 0.000 1.046 304 L CA 0.095 54.601 54.840 -0.557 0.000 0.805 304 L CB 0.173 42.021 42.059 -0.353 0.000 1.193 304 L HN 0.396 nan 8.230 nan 0.000 0.426 305 F N 4.065 123.768 119.950 -0.412 0.000 2.556 305 F HA 0.563 5.095 4.527 0.009 0.000 0.314 305 F C -0.364 175.137 175.800 -0.498 0.000 1.106 305 F CA -0.888 56.713 58.000 -0.665 0.000 0.911 305 F CB 2.109 40.396 39.000 -1.188 0.000 1.190 305 F HN 0.041 nan 8.300 nan 0.000 0.448 306 V N 4.592 124.364 119.914 -0.237 0.000 2.370 306 V HA 0.331 4.456 4.120 0.007 0.000 0.279 306 V C -0.025 176.157 176.094 0.146 0.000 1.029 306 V CA -0.812 61.461 62.300 -0.045 0.000 0.870 306 V CB 1.427 33.266 31.823 0.027 0.000 0.984 306 V HN 0.525 nan 8.190 nan 0.000 0.451 307 L N 7.530 128.866 121.223 0.189 0.000 2.410 307 L HA 0.296 4.641 4.340 0.007 0.000 0.273 307 L C -2.082 174.896 176.870 0.180 0.000 1.144 307 L CA -1.394 53.604 54.840 0.262 0.000 0.863 307 L CB 0.373 42.514 42.059 0.137 0.000 1.140 307 L HN 0.432 nan 8.230 nan 0.000 0.463 308 P HA 0.060 nan 4.420 nan 0.000 0.264 308 P C -2.026 175.326 177.300 0.086 0.000 1.193 308 P CA -1.013 62.160 63.100 0.123 0.000 0.763 308 P CB 0.279 32.040 31.700 0.101 0.000 0.810 309 P HA -0.216 nan 4.420 nan 0.000 0.217 309 P C 1.340 178.672 177.300 0.053 0.000 1.148 309 P CA 1.381 64.525 63.100 0.072 0.000 0.828 309 P CB -0.184 31.562 31.700 0.076 0.000 0.783 310 E N -0.257 119.970 120.200 0.045 0.000 2.265 310 E HA -0.157 4.197 4.350 0.007 0.000 0.196 310 E C 1.708 178.322 176.600 0.023 0.000 0.996 310 E CA 1.037 57.455 56.400 0.030 0.000 0.832 310 E CB -1.172 28.542 29.700 0.024 0.000 0.756 310 E HN 0.251 nan 8.360 nan 0.000 0.491 311 L N 1.029 122.266 121.223 0.024 0.000 2.313 311 L HA -0.004 4.341 4.340 0.007 0.000 0.214 311 L C 0.700 177.580 176.870 0.016 0.000 1.119 311 L CA 0.614 55.461 54.840 0.012 0.000 0.809 311 L CB 0.381 42.439 42.059 -0.001 0.000 0.933 311 L HN -0.100 nan 8.230 nan 0.000 0.449 312 V N 1.139 121.068 119.914 0.025 0.000 2.304 312 V HA 0.203 4.328 4.120 0.007 0.000 0.269 312 V C -0.060 176.060 176.094 0.043 0.000 1.036 312 V CA -0.818 61.495 62.300 0.022 0.000 0.840 312 V CB 1.089 32.916 31.823 0.006 0.000 1.036 312 V HN -0.046 nan 8.190 nan 0.000 0.466 313 L N 5.408 126.663 121.223 0.053 0.000 2.367 313 L HA 0.443 4.788 4.340 0.007 0.000 0.275 313 L C 0.193 177.105 176.870 0.070 0.000 1.129 313 L CA 0.875 55.744 54.840 0.048 0.000 0.839 313 L CB 0.556 42.639 42.059 0.040 0.000 1.133 313 L HN 0.680 nan 8.230 nan 0.000 0.453 314 E N 2.921 123.139 120.200 0.031 0.000 2.343 314 E HA 0.550 4.905 4.350 0.007 0.000 0.270 314 E C -1.513 175.030 176.600 -0.095 0.000 0.895 314 E CA -0.956 55.458 56.400 0.024 0.000 0.767 314 E CB 2.436 32.181 29.700 0.076 0.000 1.248 314 E HN 0.335 nan 8.360 nan 0.000 0.440 315 V N 3.095 122.906 119.914 -0.171 0.000 2.326 315 V HA 0.288 4.412 4.120 0.007 0.000 0.281 315 V C -2.385 173.622 176.094 -0.145 0.000 1.015 315 V CA -2.066 60.059 62.300 -0.292 0.000 0.823 315 V CB 0.987 32.339 31.823 -0.784 0.000 1.009 315 V HN 0.534 nan 8.190 nan 0.000 0.436 316 P HA 0.151 nan 4.420 nan 0.000 0.265 316 P C -0.430 176.857 177.300 -0.021 0.000 1.193 316 P CA 0.092 63.149 63.100 -0.071 0.000 0.765 316 P CB 0.525 32.196 31.700 -0.050 0.000 0.823 317 L N 3.817 125.066 121.223 0.043 0.000 2.290 317 L HA 0.363 4.707 4.340 0.007 0.000 0.284 317 L C 1.056 178.093 176.870 0.278 0.000 1.078 317 L CA -0.035 54.911 54.840 0.177 0.000 0.815 317 L CB 0.398 42.639 42.059 0.303 0.000 1.162 317 L HN 0.511 nan 8.230 nan 0.000 0.435 318 E N 2.226 122.554 120.200 0.213 0.000 2.393 318 E HA 0.404 4.759 4.350 0.007 0.000 0.273 318 E C -1.257 175.374 176.600 0.051 0.000 0.918 318 E CA -0.934 55.608 56.400 0.237 0.000 0.773 318 E CB 2.199 32.002 29.700 0.171 0.000 1.275 318 E HN 0.460 nan 8.360 nan 0.000 0.451 319 H N 1.411 120.353 119.070 -0.213 0.000 2.502 319 H HA 0.234 4.795 4.556 0.008 0.000 0.338 319 H C -1.738 173.320 175.328 -0.451 0.000 1.155 319 H CA -2.209 53.562 56.048 -0.461 0.000 1.237 319 H CB 1.889 31.281 29.762 -0.616 0.000 1.534 319 H HN 0.447 nan 8.280 nan 0.000 0.523 320 P HA -0.116 nan 4.420 nan 0.000 0.215 320 P C 1.129 178.233 177.300 -0.326 0.000 1.157 320 P CA 1.931 64.511 63.100 -0.868 0.000 0.859 320 P CB 0.273 31.455 31.700 -0.863 0.000 0.786 321 T N -3.161 111.340 114.554 -0.089 0.000 3.034 321 T HA 0.176 4.530 4.350 0.007 0.000 0.248 321 T C 1.075 175.743 174.700 -0.054 0.000 1.040 321 T CA -0.085 62.002 62.100 -0.022 0.000 1.107 321 T CB -0.838 68.032 68.868 0.003 0.000 0.932 321 T HN -0.082 nan 8.240 nan 0.000 0.474 322 L N 2.752 123.914 121.223 -0.101 0.000 2.363 322 L HA 0.322 4.666 4.340 0.007 0.000 0.286 322 L C 1.260 177.762 176.870 -0.613 0.000 1.106 322 L CA -0.277 54.208 54.840 -0.590 0.000 0.859 322 L CB 0.446 41.795 42.059 -1.183 0.000 1.223 322 L HN 0.258 nan 8.230 nan 0.000 0.446 323 E N 3.578 123.558 120.200 -0.367 0.000 2.204 323 E HA -0.166 4.188 4.350 0.007 0.000 0.194 323 E C 1.527 178.087 176.600 -0.067 0.000 0.989 323 E CA 1.093 57.408 56.400 -0.141 0.000 0.824 323 E CB 0.054 29.746 29.700 -0.013 0.000 0.756 323 E HN 0.821 nan 8.360 nan 0.000 0.477 324 W N 0.027 121.380 121.300 0.089 0.000 2.595 324 W HA -0.040 4.625 4.660 0.008 0.000 0.257 324 W C 1.499 178.079 176.519 0.102 0.000 1.267 324 W CA -0.173 57.214 57.345 0.071 0.000 1.300 324 W CB -0.882 28.598 29.460 0.034 0.000 1.120 324 W HN -0.053 nan 8.180 nan 0.000 0.618 325 F N 3.033 122.847 119.950 -0.227 0.000 2.095 325 F HA -0.136 4.395 4.527 0.007 0.000 0.298 325 F C 2.737 178.586 175.800 0.083 0.000 1.104 325 F CA 3.006 60.972 58.000 -0.058 0.000 1.232 325 F CB -0.694 38.141 39.000 -0.276 0.000 0.987 325 F HN -0.085 nan 8.300 nan 0.000 0.475 326 A N 0.046 123.026 122.820 0.266 0.000 2.032 326 A HA -0.157 4.167 4.320 0.007 0.000 0.221 326 A C 2.267 179.916 177.584 0.108 0.000 1.165 326 A CA 1.707 53.853 52.037 0.181 0.000 0.645 326 A CB -1.463 17.616 19.000 0.132 0.000 0.807 326 A HN 0.476 nan 8.150 nan 0.000 0.453 327 A N -0.994 121.899 122.820 0.123 0.000 2.168 327 A HA 0.181 4.506 4.320 0.007 0.000 0.215 327 A C 1.711 179.329 177.584 0.057 0.000 1.152 327 A CA 0.919 53.014 52.037 0.097 0.000 0.716 327 A CB -0.292 18.786 19.000 0.131 0.000 0.794 327 A HN 0.360 nan 8.150 nan 0.000 0.465 328 L N -0.869 120.359 121.223 0.008 0.000 2.275 328 L HA -0.003 4.342 4.340 0.007 0.000 0.215 328 L C 2.000 178.868 176.870 -0.004 0.000 1.119 328 L CA 1.654 56.464 54.840 -0.049 0.000 0.790 328 L CB -1.845 40.069 42.059 -0.241 0.000 0.919 328 L HN 0.678 nan 8.230 nan 0.000 0.443 329 G N -0.480 108.318 108.800 -0.004 0.000 2.153 329 G HA2 -0.291 3.673 3.960 0.007 0.000 0.252 329 G HA3 -0.291 3.673 3.960 0.007 0.000 0.252 329 G C 0.508 175.363 174.900 -0.075 0.000 0.994 329 G CA 0.398 45.499 45.100 0.002 0.000 0.698 329 G HN 0.346 nan 8.290 nan 0.000 0.521 330 L N -0.244 120.918 121.223 -0.103 0.000 2.476 330 L HA 0.683 5.027 4.340 0.007 0.000 0.264 330 L C 1.171 177.792 176.870 -0.416 0.000 1.224 330 L CA -0.008 54.683 54.840 -0.248 0.000 0.821 330 L CB 0.547 42.585 42.059 -0.034 0.000 1.101 330 L HN 0.612 nan 8.230 nan 0.000 0.488 331 R N 0.872 120.983 120.500 -0.649 0.000 2.753 331 R HA 0.374 4.719 4.340 0.007 0.000 0.272 331 R C -2.288 174.006 176.300 -0.010 0.000 1.034 331 R CA -0.972 54.915 56.100 -0.354 0.000 0.869 331 R CB 1.221 31.250 30.300 -0.452 0.000 1.264 331 R HN 0.701 nan 8.270 nan 0.000 0.481 332 W N 1.705 122.971 121.300 -0.056 0.000 3.047 332 W HA 0.447 5.111 4.660 0.007 0.000 0.341 332 W C -1.179 175.430 176.519 0.151 0.000 1.225 332 W CA -0.998 56.408 57.345 0.102 0.000 1.150 332 W CB 2.169 31.611 29.460 -0.031 0.000 1.470 332 W HN 0.664 nan 8.180 nan 0.000 0.578 333 Y N 0.397 120.706 120.300 0.015 0.000 2.335 333 Y HA 0.624 5.178 4.550 0.007 0.000 0.323 333 Y C 0.678 176.806 175.900 0.381 0.000 1.224 333 Y CA -0.374 57.763 58.100 0.061 0.000 1.241 333 Y CB 0.451 38.785 38.460 -0.210 0.000 1.235 333 Y HN 0.354 nan 8.280 nan 0.000 0.492 334 A N 2.127 125.223 122.820 0.460 0.000 2.016 334 A HA 0.070 4.394 4.320 0.007 0.000 0.217 334 A C 0.417 178.338 177.584 0.562 0.000 1.162 334 A CA 0.562 52.906 52.037 0.513 0.000 0.662 334 A CB -0.282 18.875 19.000 0.261 0.000 0.812 334 A HN 0.653 nan 8.150 nan 0.000 0.450 335 L N 1.739 123.254 121.223 0.486 0.000 2.295 335 L HA 0.424 4.769 4.340 0.007 0.000 0.281 335 L C -2.600 174.400 176.870 0.217 0.000 1.018 335 L CA -2.400 52.607 54.840 0.278 0.000 0.841 335 L CB 1.621 43.780 42.059 0.167 0.000 1.218 335 L HN -0.058 nan 8.230 nan 0.000 0.424 336 P HA 0.257 nan 4.420 nan 0.000 0.277 336 P C -1.189 176.012 177.300 -0.165 0.000 1.354 336 P CA -0.194 62.769 63.100 -0.227 0.000 0.891 336 P CB 0.988 32.157 31.700 -0.884 0.000 1.058 337 A N 4.835 127.566 122.820 -0.150 0.000 2.431 337 A HA 0.401 4.725 4.320 0.007 0.000 0.318 337 A C -0.031 177.323 177.584 -0.383 0.000 1.330 337 A CA -0.681 51.193 52.037 -0.271 0.000 0.804 337 A CB 0.620 19.480 19.000 -0.235 0.000 1.135 337 A HN 0.310 nan 8.150 nan 0.000 0.483 338 V N 2.601 122.118 119.914 -0.662 0.000 2.637 338 V HA 0.265 4.390 4.120 0.007 0.000 0.296 338 V C 1.240 176.960 176.094 -0.622 0.000 1.046 338 V CA 1.290 63.184 62.300 -0.677 0.000 1.066 338 V CB 1.356 32.591 31.823 -0.980 0.000 0.968 338 V HN 1.122 nan 8.190 nan 0.000 0.483 339 S N 1.304 116.820 115.700 -0.307 0.000 2.817 339 S HA 0.073 4.547 4.470 0.007 0.000 0.262 339 S C 0.614 175.177 174.600 -0.062 0.000 1.051 339 S CA 0.076 58.176 58.200 -0.167 0.000 1.185 339 S CB -0.404 62.725 63.200 -0.118 0.000 1.152 339 S HN 0.924 nan 8.310 nan 0.000 0.653 340 N N 0.493 119.148 118.700 -0.075 0.000 2.291 340 N HA 0.363 5.108 4.740 0.007 0.000 0.244 340 N C -0.199 175.245 175.510 -0.109 0.000 1.216 340 N CA -0.557 52.446 53.050 -0.078 0.000 0.879 340 N CB 0.267 38.693 38.487 -0.102 0.000 1.167 340 N HN 0.232 nan 8.380 nan 0.000 0.515 341 M N 1.295 120.897 119.600 0.003 0.000 2.472 341 M HA 0.330 4.815 4.480 0.007 0.000 0.331 341 M C -0.730 175.685 176.300 0.192 0.000 1.170 341 M CA -0.943 54.418 55.300 0.102 0.000 1.009 341 M CB 2.746 35.495 32.600 0.248 0.000 1.672 341 M HN 0.148 nan 8.290 nan 0.000 0.453 342 L N 3.449 124.773 121.223 0.168 0.000 2.305 342 L HA 0.412 4.756 4.340 0.007 0.000 0.281 342 L C -1.142 175.866 176.870 0.231 0.000 1.085 342 L CA -0.672 54.268 54.840 0.166 0.000 0.813 342 L CB 0.769 42.870 42.059 0.070 0.000 1.157 342 L HN 0.595 nan 8.230 nan 0.000 0.436 343 L N 5.658 127.013 121.223 0.220 0.000 2.276 343 L HA 0.420 4.765 4.340 0.007 0.000 0.286 343 L C -0.507 176.415 176.870 0.087 0.000 1.024 343 L CA 0.133 55.015 54.840 0.070 0.000 0.826 343 L CB 1.084 43.185 42.059 0.069 0.000 1.211 343 L HN 0.598 nan 8.230 nan 0.000 0.422 344 E N 6.687 126.857 120.200 -0.050 0.000 2.113 344 E HA 0.349 4.703 4.350 0.007 0.000 0.273 344 E C -1.504 175.036 176.600 -0.100 0.000 0.924 344 E CA -0.343 56.020 56.400 -0.061 0.000 0.764 344 E CB 0.930 30.597 29.700 -0.056 0.000 1.104 344 E HN 0.739 nan 8.360 nan 0.000 0.406 345 I N 2.769 123.273 120.570 -0.109 0.000 2.447 345 I HA 0.254 4.428 4.170 0.007 0.000 0.287 345 I C 0.867 176.802 176.117 -0.302 0.000 1.023 345 I CA -0.722 60.423 61.300 -0.258 0.000 1.083 345 I CB 1.972 39.780 38.000 -0.319 0.000 1.245 345 I HN 0.788 nan 8.210 nan 0.000 0.434 346 G N 4.427 113.105 108.800 -0.202 0.000 2.422 346 G HA2 -0.138 3.826 3.960 0.007 0.000 0.301 346 G HA3 -0.138 3.826 3.960 0.007 0.000 0.301 346 G C 1.058 176.026 174.900 0.114 0.000 0.981 346 G CA 0.953 46.093 45.100 0.066 0.000 0.994 346 G HN 1.462 nan 8.290 nan 0.000 0.514 347 G N -1.721 107.094 108.800 0.024 0.000 2.299 347 G HA2 -0.266 3.698 3.960 0.007 0.000 0.237 347 G HA3 -0.266 3.698 3.960 0.007 0.000 0.237 347 G C 0.626 175.472 174.900 -0.089 0.000 1.027 347 G CA 0.384 45.491 45.100 0.012 0.000 0.619 347 G HN 1.279 nan 8.290 nan 0.000 0.513 348 L N 1.022 122.129 121.223 -0.193 0.000 2.426 348 L HA 0.511 4.855 4.340 0.007 0.000 0.271 348 L C 0.408 176.982 176.870 -0.493 0.000 1.169 348 L CA 0.092 54.673 54.840 -0.431 0.000 0.836 348 L CB 0.841 42.529 42.059 -0.618 0.000 1.112 348 L HN 0.231 nan 8.230 nan 0.000 0.465 349 E N 2.704 122.554 120.200 -0.584 0.000 2.155 349 E HA 0.345 4.700 4.350 0.007 0.000 0.264 349 E C -1.443 174.814 176.600 -0.571 0.000 0.886 349 E CA -0.401 55.747 56.400 -0.419 0.000 0.752 349 E CB 1.299 30.870 29.700 -0.215 0.000 1.133 349 E HN 0.253 nan 8.360 nan 0.000 0.414 350 F N 2.160 122.088 119.950 -0.037 0.000 2.303 350 F HA 0.112 4.644 4.527 0.009 0.000 0.368 350 F C 1.608 177.442 175.800 0.058 0.000 1.105 350 F CA -0.552 57.453 58.000 0.009 0.000 1.153 350 F CB 1.036 40.030 39.000 -0.010 0.000 1.362 350 F HN 0.418 nan 8.300 nan 0.000 0.511 351 S N 1.615 117.417 115.700 0.170 0.000 2.474 351 S HA 0.165 4.639 4.470 0.007 0.000 0.235 351 S C 0.794 175.507 174.600 0.189 0.000 0.997 351 S CA 0.384 58.669 58.200 0.142 0.000 0.949 351 S CB -0.025 63.239 63.200 0.106 0.000 0.766 351 S HN 0.542 nan 8.310 nan 0.000 0.517 352 A N 0.395 123.376 122.820 0.269 0.000 2.410 352 A HA 0.826 5.150 4.320 0.007 0.000 0.289 352 A C -0.249 177.561 177.584 0.376 0.000 1.200 352 A CA -0.162 52.051 52.037 0.293 0.000 0.751 352 A CB 0.955 20.111 19.000 0.258 0.000 1.161 352 A HN 1.081 nan 8.150 nan 0.000 0.459 353 A N 4.081 127.074 122.820 0.288 0.000 3.277 353 A HA 0.646 4.971 4.320 0.007 0.000 0.281 353 A C -3.190 174.524 177.584 0.217 0.000 1.179 353 A CA -0.882 51.286 52.037 0.219 0.000 0.879 353 A CB 0.514 19.632 19.000 0.197 0.000 1.374 353 A HN 0.468 nan 8.150 nan 0.000 0.590 354 P HA 0.495 nan 4.420 nan 0.000 0.276 354 P C -0.680 176.623 177.300 0.006 0.000 1.230 354 P CA 0.220 63.290 63.100 -0.049 0.000 0.776 354 P CB 0.441 32.052 31.700 -0.148 0.000 0.888 355 F N -0.044 119.843 119.950 -0.105 0.000 2.598 355 F HA 0.832 5.362 4.527 0.006 0.000 0.327 355 F C -0.467 175.249 175.800 -0.140 0.000 1.057 355 F CA -1.216 56.728 58.000 -0.093 0.000 0.957 355 F CB 1.689 40.535 39.000 -0.256 0.000 1.278 355 F HN 0.414 nan 8.300 nan 0.000 0.484 356 S N 0.079 115.848 115.700 0.114 0.000 2.537 356 S HA 0.864 5.338 4.470 0.007 0.000 0.271 356 S C -0.894 173.681 174.600 -0.041 0.000 1.148 356 S CA -0.116 58.087 58.200 0.005 0.000 0.868 356 S CB 1.300 64.579 63.200 0.132 0.000 1.115 356 S HN 1.545 nan 8.310 nan 0.000 0.461 357 G N 0.459 109.184 108.800 -0.125 0.000 3.366 357 G HA2 0.756 4.721 3.960 0.007 0.000 0.179 357 G HA3 0.756 4.721 3.960 0.007 0.000 0.179 357 G C -1.403 173.481 174.900 -0.026 0.000 1.143 357 G CA -0.257 44.695 45.100 -0.246 0.000 0.810 357 G HN 1.211 nan 8.290 nan 0.000 0.697 358 W N -1.421 119.881 121.300 0.002 0.000 3.031 358 W HA 0.806 5.470 4.660 0.005 0.000 0.337 358 W C -1.525 174.976 176.519 -0.029 0.000 1.187 358 W CA -2.195 55.155 57.345 0.008 0.000 1.166 358 W CB 0.351 29.864 29.460 0.088 0.000 1.437 358 W HN 0.407 nan 8.180 nan 0.000 0.551 359 Y N 2.465 122.943 120.300 0.296 0.000 2.550 359 Y HA 0.158 4.713 4.550 0.008 0.000 0.343 359 Y C 1.009 176.976 175.900 0.111 0.000 1.245 359 Y CA -0.231 57.932 58.100 0.106 0.000 1.462 359 Y CB 0.703 39.123 38.460 -0.067 0.000 1.340 359 Y HN 0.377 nan 8.280 nan 0.000 0.604 360 M N 2.157 121.909 119.600 0.253 0.000 2.209 360 M HA 0.138 4.622 4.480 0.007 0.000 0.355 360 M C 1.370 177.675 176.300 0.010 0.000 1.171 360 M CA -0.190 55.188 55.300 0.131 0.000 1.069 360 M CB 1.275 33.927 32.600 0.088 0.000 1.622 360 M HN 0.933 nan 8.290 nan 0.000 0.459 361 S N 2.147 117.826 115.700 -0.036 0.000 2.389 361 S HA -0.227 4.248 4.470 0.007 0.000 0.231 361 S C 1.509 175.995 174.600 -0.189 0.000 1.052 361 S CA 2.597 60.714 58.200 -0.139 0.000 1.053 361 S CB -1.051 62.133 63.200 -0.027 0.000 0.886 361 S HN 0.933 nan 8.310 nan 0.000 0.456 362 T N -1.255 113.213 114.554 -0.144 0.000 2.995 362 T HA 0.050 4.405 4.350 0.007 0.000 0.269 362 T C 1.718 176.275 174.700 -0.239 0.000 1.091 362 T CA 1.259 63.221 62.100 -0.230 0.000 1.128 362 T CB -0.561 68.126 68.868 -0.301 0.000 0.891 362 T HN 0.669 nan 8.240 nan 0.000 0.492 363 E N 0.592 120.671 120.200 -0.200 0.000 2.150 363 E HA -0.046 4.309 4.350 0.007 0.000 0.193 363 E C 1.918 178.284 176.600 -0.390 0.000 0.985 363 E CA 0.914 57.197 56.400 -0.195 0.000 0.814 363 E CB -0.193 29.507 29.700 -0.001 0.000 0.752 363 E HN 0.661 nan 8.360 nan 0.000 0.466 364 I N -0.213 119.987 120.570 -0.615 0.000 2.235 364 I HA -0.060 4.115 4.170 0.007 0.000 0.241 364 I C 2.525 178.283 176.117 -0.598 0.000 1.085 364 I CA 1.035 61.778 61.300 -0.928 0.000 1.378 364 I CB -0.377 36.973 38.000 -1.083 0.000 1.076 364 I HN 0.140 nan 8.210 nan 0.000 0.415 365 G N -0.088 108.472 108.800 -0.400 0.000 2.422 365 G HA2 -0.138 3.827 3.960 0.007 0.000 0.218 365 G HA3 -0.138 3.827 3.960 0.007 0.000 0.218 365 G C 1.596 176.382 174.900 -0.191 0.000 1.140 365 G CA 1.426 46.381 45.100 -0.242 0.000 0.775 365 G HN 0.319 nan 8.290 nan 0.000 0.545 366 T N -0.378 114.043 114.554 -0.220 0.000 3.071 366 T HA 0.147 4.501 4.350 0.007 0.000 0.239 366 T C 2.441 177.037 174.700 -0.173 0.000 0.997 366 T CA 0.049 62.042 62.100 -0.179 0.000 1.134 366 T CB 0.206 68.953 68.868 -0.201 0.000 0.928 366 T HN -0.010 nan 8.240 nan 0.000 0.453 367 R N 2.163 122.541 120.500 -0.204 0.000 2.054 367 R HA 0.196 4.540 4.340 0.007 0.000 0.223 367 R C 2.229 178.425 176.300 -0.173 0.000 1.176 367 R CA 0.934 56.926 56.100 -0.179 0.000 0.934 367 R CB -1.261 28.939 30.300 -0.168 0.000 0.828 367 R HN 0.304 nan 8.270 nan 0.000 0.441 368 N N 1.192 119.753 118.700 -0.232 0.000 2.094 368 N HA -0.150 4.594 4.740 0.007 0.000 0.191 368 N C 1.931 177.385 175.510 -0.093 0.000 1.023 368 N CA 1.288 54.215 53.050 -0.205 0.000 0.857 368 N CB -0.226 37.874 38.487 -0.645 0.000 1.013 368 N HN 0.220 nan 8.380 nan 0.000 0.426 369 L N -0.726 120.383 121.223 -0.191 0.000 2.408 369 L HA 0.108 4.453 4.340 0.007 0.000 0.215 369 L C 1.554 178.445 176.870 0.033 0.000 1.081 369 L CA 0.269 55.081 54.840 -0.047 0.000 0.840 369 L CB 0.241 42.235 42.059 -0.108 0.000 1.002 369 L HN 0.140 nan 8.230 nan 0.000 0.468 370 C N -1.482 117.804 119.300 -0.024 0.000 2.865 370 C HA 0.155 4.619 4.460 0.007 0.000 0.280 370 C C 0.709 175.688 174.990 -0.019 0.000 1.255 370 C CA -0.880 58.136 59.018 -0.004 0.000 1.705 370 C CB -0.373 27.353 27.740 -0.023 0.000 2.080 370 C HN 0.294 nan 8.230 nan 0.000 0.591 371 D N 2.561 122.919 120.400 -0.071 0.000 2.488 371 D HA 0.076 4.720 4.640 0.007 0.000 0.238 371 D C -1.424 174.845 176.300 -0.053 0.000 1.138 371 D CA -1.053 52.876 54.000 -0.118 0.000 0.873 371 D CB 0.642 41.227 40.800 -0.357 0.000 1.183 371 D HN 0.157 nan 8.370 nan 0.000 0.458 372 P HA -0.140 nan 4.420 nan 0.000 0.218 372 P C 0.681 178.064 177.300 0.138 0.000 1.148 372 P CA 1.167 64.338 63.100 0.118 0.000 0.822 372 P CB -0.016 31.771 31.700 0.145 0.000 0.784 373 H N -2.491 116.589 119.070 0.016 0.000 2.538 373 H HA 0.335 4.896 4.556 0.008 0.000 0.286 373 H C 0.892 176.227 175.328 0.013 0.000 1.035 373 H CA -0.043 56.013 56.048 0.013 0.000 1.169 373 H CB -0.076 29.694 29.762 0.014 0.000 1.417 373 H HN -0.005 nan 8.280 nan 0.000 0.567 374 R N -0.322 120.084 120.500 -0.156 0.000 2.845 374 R HA 0.177 4.522 4.340 0.007 0.000 0.112 374 R C 1.126 177.382 176.300 -0.073 0.000 1.012 374 R CA -0.696 55.340 56.100 -0.107 0.000 0.744 374 R CB -0.786 29.477 30.300 -0.062 0.000 0.926 374 R HN 0.100 nan 8.270 nan 0.000 0.376 375 Y N 1.617 121.923 120.300 0.011 0.000 2.352 375 Y HA -0.037 4.518 4.550 0.008 0.000 0.292 375 Y C 0.715 176.632 175.900 0.028 0.000 1.136 375 Y CA 1.465 59.585 58.100 0.033 0.000 1.227 375 Y CB -0.098 38.413 38.460 0.085 0.000 0.991 375 Y HN 0.541 nan 8.280 nan 0.000 0.545 376 N N 0.831 119.621 118.700 0.150 0.000 2.696 376 N HA -0.213 4.531 4.740 0.007 0.000 0.256 376 N C 0.422 176.008 175.510 0.128 0.000 1.031 376 N CA 0.360 53.474 53.050 0.105 0.000 0.730 376 N CB -1.043 37.489 38.487 0.076 0.000 0.894 376 N HN 0.615 nan 8.380 nan 0.000 0.544 377 I N -2.786 117.869 120.570 0.142 0.000 3.883 377 I HA 0.035 4.210 4.170 0.007 0.000 0.326 377 I C 1.630 177.834 176.117 0.144 0.000 1.283 377 I CA -0.451 60.932 61.300 0.137 0.000 1.161 377 I CB 0.011 38.093 38.000 0.137 0.000 1.012 377 I HN 0.116 nan 8.210 nan 0.000 0.421 378 L N 2.033 123.352 121.223 0.159 0.000 1.970 378 L HA -0.215 4.130 4.340 0.007 0.000 0.212 378 L C 2.563 179.622 176.870 0.316 0.000 1.071 378 L CA 2.384 57.353 54.840 0.215 0.000 0.751 378 L CB -1.015 41.145 42.059 0.169 0.000 0.889 378 L HN 0.503 nan 8.230 nan 0.000 0.432 379 E N -0.465 119.924 120.200 0.315 0.000 2.048 379 E HA -0.274 4.080 4.350 0.007 0.000 0.202 379 E C 1.884 178.520 176.600 0.059 0.000 1.021 379 E CA 2.100 58.608 56.400 0.181 0.000 0.825 379 E CB -0.218 29.548 29.700 0.110 0.000 0.756 379 E HN 0.493 nan 8.360 nan 0.000 0.454 380 D N -0.320 120.113 120.400 0.055 0.000 2.126 380 D HA -0.179 4.465 4.640 0.007 0.000 0.190 380 D C 2.119 178.412 176.300 -0.013 0.000 1.001 380 D CA 1.887 55.888 54.000 0.001 0.000 0.841 380 D CB -0.462 40.349 40.800 0.017 0.000 0.949 380 D HN 0.180 nan 8.370 nan 0.000 0.446 381 V N 1.629 121.587 119.914 0.073 0.000 2.307 381 V HA -0.227 3.897 4.120 0.007 0.000 0.245 381 V C 2.620 178.781 176.094 0.111 0.000 1.045 381 V CA 1.743 64.124 62.300 0.135 0.000 1.024 381 V CB -0.940 31.048 31.823 0.276 0.000 0.651 381 V HN 0.189 nan 8.190 nan 0.000 0.449 382 A N -0.108 122.807 122.820 0.159 0.000 1.915 382 A HA -0.248 4.077 4.320 0.007 0.000 0.220 382 A C 2.438 179.996 177.584 -0.043 0.000 1.198 382 A CA 2.552 54.666 52.037 0.129 0.000 0.647 382 A CB -0.942 18.204 19.000 0.244 0.000 0.825 382 A HN 0.332 nan 8.150 nan 0.000 0.456 383 V N -0.805 119.040 119.914 -0.116 0.000 2.295 383 V HA -0.349 3.775 4.120 0.007 0.000 0.246 383 V C 2.710 178.650 176.094 -0.258 0.000 1.049 383 V CA 2.176 64.366 62.300 -0.183 0.000 1.024 383 V CB -0.983 30.735 31.823 -0.175 0.000 0.648 383 V HN 0.756 nan 8.190 nan 0.000 0.447 384 C N -0.370 118.700 119.300 -0.383 0.000 2.401 384 C HA -0.241 4.224 4.460 0.007 0.000 0.276 384 C C 2.748 177.320 174.990 -0.697 0.000 1.233 384 C CA 1.329 59.865 59.018 -0.803 0.000 1.753 384 C CB -1.091 25.802 27.740 -1.412 0.000 2.029 384 C HN 0.532 nan 8.230 nan 0.000 0.478 385 M N -0.257 119.186 119.600 -0.262 0.000 2.476 385 M HA -0.045 4.440 4.480 0.007 0.000 0.262 385 M C 0.844 177.141 176.300 -0.006 0.000 1.079 385 M CA 1.574 56.906 55.300 0.052 0.000 1.104 385 M CB -0.501 32.210 32.600 0.186 0.000 1.409 385 M HN 0.411 nan 8.290 nan 0.000 0.467 386 D N 0.407 120.753 120.400 -0.090 0.000 2.988 386 D HA -0.125 4.520 4.640 0.007 0.000 0.221 386 D C -0.709 175.564 176.300 -0.046 0.000 1.122 386 D CA 0.250 54.201 54.000 -0.081 0.000 0.821 386 D CB -1.076 39.686 40.800 -0.063 0.000 1.098 386 D HN 0.276 nan 8.370 nan 0.000 0.433 387 L N -0.070 121.133 121.223 -0.034 0.000 2.456 387 L HA 0.347 4.692 4.340 0.007 0.000 0.257 387 L C 0.933 177.745 176.870 -0.097 0.000 1.162 387 L CA -0.524 54.313 54.840 -0.005 0.000 0.808 387 L CB 0.397 42.514 42.059 0.096 0.000 1.136 387 L HN 0.070 nan 8.230 nan 0.000 0.466 388 D N 0.296 120.657 120.400 -0.065 0.000 2.374 388 D HA 0.031 4.675 4.640 0.007 0.000 0.240 388 D C 0.933 177.021 176.300 -0.353 0.000 1.229 388 D CA -0.164 53.754 54.000 -0.136 0.000 0.895 388 D CB 0.864 41.643 40.800 -0.035 0.000 1.046 388 D HN 0.589 nan 8.370 nan 0.000 0.498 389 T N 0.906 115.075 114.554 -0.641 0.000 3.107 389 T HA 0.101 4.455 4.350 0.007 0.000 0.249 389 T C 1.667 175.979 174.700 -0.647 0.000 1.096 389 T CA -0.067 61.205 62.100 -1.380 0.000 1.012 389 T CB 0.196 68.206 68.868 -1.430 0.000 0.977 389 T HN 0.097 nan 8.240 nan 0.000 0.527 390 R N 1.152 121.478 120.500 -0.290 0.000 2.119 390 R HA 0.199 4.544 4.340 0.007 0.000 0.222 390 R C 1.071 177.386 176.300 0.025 0.000 1.088 390 R CA 0.836 56.873 56.100 -0.105 0.000 0.984 390 R CB -0.166 30.086 30.300 -0.079 0.000 0.884 390 R HN 0.447 nan 8.270 nan 0.000 0.447 391 T N -2.135 112.474 114.554 0.092 0.000 2.893 391 T HA 0.197 4.552 4.350 0.007 0.000 0.291 391 T C 1.110 175.999 174.700 0.315 0.000 1.028 391 T CA -0.325 61.874 62.100 0.165 0.000 0.995 391 T CB 1.603 70.530 68.868 0.098 0.000 1.051 391 T HN 0.289 nan 8.240 nan 0.000 0.470 392 T N 0.746 115.436 114.554 0.228 0.000 2.857 392 T HA -0.080 4.274 4.350 0.007 0.000 0.266 392 T C 2.104 176.863 174.700 0.098 0.000 1.048 392 T CA 1.510 63.705 62.100 0.159 0.000 1.139 392 T CB -0.723 68.182 68.868 0.061 0.000 0.874 392 T HN 0.688 nan 8.240 nan 0.000 0.455 393 S N 2.222 117.980 115.700 0.097 0.000 2.547 393 S HA -0.043 4.431 4.470 0.007 0.000 0.235 393 S C 2.049 176.700 174.600 0.086 0.000 0.980 393 S CA 0.721 58.960 58.200 0.066 0.000 0.941 393 S CB -0.933 62.298 63.200 0.051 0.000 0.763 393 S HN 0.737 nan 8.310 nan 0.000 0.532 394 S N 1.770 117.563 115.700 0.155 0.000 2.607 394 S HA 0.191 4.666 4.470 0.007 0.000 0.224 394 S C 0.939 175.630 174.600 0.152 0.000 0.969 394 S CA 0.147 58.448 58.200 0.167 0.000 0.927 394 S CB -1.084 62.254 63.200 0.230 0.000 0.772 394 S HN 0.637 nan 8.310 nan 0.000 0.533 395 L N 0.870 122.142 121.223 0.081 0.000 3.742 395 L HA -0.186 4.159 4.340 0.007 0.000 0.431 395 L C 1.636 178.523 176.870 0.028 0.000 1.220 395 L CA 0.726 55.558 54.840 -0.014 0.000 0.863 395 L CB -2.333 39.725 42.059 -0.002 0.000 1.751 395 L HN 0.750 nan 8.230 nan 0.000 0.922 396 W N -0.320 120.991 121.300 0.018 0.000 2.436 396 W HA -0.101 4.564 4.660 0.007 0.000 0.284 396 W C 1.761 178.296 176.519 0.026 0.000 1.225 396 W CA 0.999 58.357 57.345 0.022 0.000 1.271 396 W CB -0.526 28.944 29.460 0.016 0.000 1.114 396 W HN 0.237 nan 8.180 nan 0.000 0.559 397 K N 1.150 121.148 120.400 -0.670 0.000 2.057 397 K HA -0.146 4.179 4.320 0.007 0.000 0.206 397 K C 1.580 178.048 176.600 -0.219 0.000 1.050 397 K CA 2.403 58.323 56.287 -0.612 0.000 0.935 397 K CB -0.248 31.739 32.500 -0.855 0.000 0.715 397 K HN -0.013 nan 8.250 nan 0.000 0.439 398 D N 0.447 120.739 120.400 -0.181 0.000 2.097 398 D HA -0.138 4.507 4.640 0.007 0.000 0.195 398 D C 1.557 177.853 176.300 -0.006 0.000 0.989 398 D CA 1.195 55.146 54.000 -0.082 0.000 0.827 398 D CB -0.005 40.752 40.800 -0.071 0.000 0.966 398 D HN 0.078 nan 8.370 nan 0.000 0.456 399 K N 0.467 120.889 120.400 0.036 0.000 2.044 399 K HA -0.122 4.202 4.320 0.007 0.000 0.210 399 K C 2.207 178.870 176.600 0.106 0.000 1.049 399 K CA 1.353 57.689 56.287 0.081 0.000 0.927 399 K CB -0.225 32.344 32.500 0.116 0.000 0.713 399 K HN 0.123 nan 8.250 nan 0.000 0.443 400 A N 1.345 124.248 122.820 0.137 0.000 1.873 400 A HA -0.086 4.239 4.320 0.007 0.000 0.215 400 A C 2.373 180.038 177.584 0.134 0.000 1.186 400 A CA 1.758 53.901 52.037 0.176 0.000 0.616 400 A CB -0.760 18.379 19.000 0.232 0.000 0.823 400 A HN 0.344 nan 8.150 nan 0.000 0.442 401 A N -0.457 122.407 122.820 0.072 0.000 1.978 401 A HA -0.036 4.289 4.320 0.007 0.000 0.220 401 A C 2.183 179.783 177.584 0.027 0.000 1.170 401 A CA 1.898 53.953 52.037 0.030 0.000 0.636 401 A CB -0.879 18.103 19.000 -0.031 0.000 0.810 401 A HN 0.425 nan 8.150 nan 0.000 0.448 402 V N 0.200 120.139 119.914 0.042 0.000 2.358 402 V HA -0.183 3.941 4.120 0.007 0.000 0.246 402 V C 2.458 178.594 176.094 0.069 0.000 1.047 402 V CA 1.985 64.316 62.300 0.051 0.000 1.035 402 V CB -0.680 31.179 31.823 0.061 0.000 0.658 402 V HN 0.529 nan 8.190 nan 0.000 0.452 403 E N 0.054 120.315 120.200 0.102 0.000 2.107 403 E HA -0.080 4.274 4.350 0.007 0.000 0.191 403 E C 2.167 178.811 176.600 0.073 0.000 0.982 403 E CA 1.015 57.502 56.400 0.144 0.000 0.809 403 E CB -0.261 29.490 29.700 0.085 0.000 0.756 403 E HN 0.563 nan 8.360 nan 0.000 0.459 404 I N 1.821 122.454 120.570 0.107 0.000 2.179 404 I HA -0.277 3.897 4.170 0.007 0.000 0.242 404 I C 2.296 178.407 176.117 -0.010 0.000 1.088 404 I CA 0.926 62.292 61.300 0.111 0.000 1.357 404 I CB -0.333 37.786 38.000 0.198 0.000 1.051 404 I HN 0.072 nan 8.210 nan 0.000 0.409 405 N N 0.662 119.353 118.700 -0.015 0.000 2.069 405 N HA -0.210 4.534 4.740 0.007 0.000 0.191 405 N C 1.909 177.392 175.510 -0.045 0.000 1.031 405 N CA 1.487 54.510 53.050 -0.045 0.000 0.852 405 N CB -0.283 38.185 38.487 -0.031 0.000 1.018 405 N HN 0.182 nan 8.380 nan 0.000 0.423 406 L N 1.529 122.725 121.223 -0.044 0.000 2.046 406 L HA -0.044 4.300 4.340 0.007 0.000 0.208 406 L C 2.262 179.023 176.870 -0.181 0.000 1.077 406 L CA 1.646 56.427 54.840 -0.098 0.000 0.747 406 L CB -1.063 40.922 42.059 -0.122 0.000 0.896 406 L HN 0.091 nan 8.230 nan 0.000 0.432 407 A N -1.063 121.596 122.820 -0.270 0.000 1.940 407 A HA -0.175 4.149 4.320 0.007 0.000 0.219 407 A C 2.282 179.793 177.584 -0.123 0.000 1.176 407 A CA 2.087 53.904 52.037 -0.367 0.000 0.631 407 A CB -1.149 17.282 19.000 -0.948 0.000 0.814 407 A HN 0.336 nan 8.150 nan 0.000 0.446 408 V N -0.125 119.744 119.914 -0.075 0.000 2.255 408 V HA -0.281 3.844 4.120 0.007 0.000 0.247 408 V C 2.575 178.701 176.094 0.054 0.000 1.051 408 V CA 2.096 64.399 62.300 0.005 0.000 1.018 408 V CB -0.773 30.978 31.823 -0.121 0.000 0.641 408 V HN 0.579 nan 8.190 nan 0.000 0.445 409 L N -0.574 120.641 121.223 -0.013 0.000 1.994 409 L HA -0.213 4.131 4.340 0.007 0.000 0.208 409 L C 2.667 179.567 176.870 0.051 0.000 1.071 409 L CA 2.178 57.022 54.840 0.006 0.000 0.745 409 L CB -0.848 41.207 42.059 -0.007 0.000 0.892 409 L HN 0.497 nan 8.230 nan 0.000 0.431 410 H N -0.472 118.555 119.070 -0.072 0.000 2.353 410 H HA -0.173 4.388 4.556 0.008 0.000 0.298 410 H C 2.220 177.531 175.328 -0.029 0.000 1.103 410 H CA 2.116 58.109 56.048 -0.091 0.000 1.293 410 H CB 0.007 29.648 29.762 -0.202 0.000 1.372 410 H HN 0.178 nan 8.280 nan 0.000 0.501 411 S N -0.730 114.866 115.700 -0.173 0.000 2.377 411 S HA -0.015 4.459 4.470 0.007 0.000 0.223 411 S C 1.831 176.364 174.600 -0.111 0.000 1.030 411 S CA 0.719 58.791 58.200 -0.215 0.000 0.970 411 S CB -0.334 62.850 63.200 -0.026 0.000 0.830 411 S HN 0.320 nan 8.310 nan 0.000 0.473 412 F N 2.460 122.338 119.950 -0.121 0.000 2.126 412 F HA -0.143 4.388 4.527 0.007 0.000 0.299 412 F C 2.625 178.367 175.800 -0.097 0.000 1.096 412 F CA 1.224 59.182 58.000 -0.069 0.000 1.255 412 F CB -0.597 38.390 39.000 -0.022 0.000 0.997 412 F HN 0.232 nan 8.300 nan 0.000 0.479 413 Q N -0.449 119.385 119.800 0.057 0.000 2.050 413 Q HA -0.223 4.122 4.340 0.007 0.000 0.202 413 Q C 2.267 178.209 176.000 -0.096 0.000 0.980 413 Q CA 1.603 57.391 55.803 -0.025 0.000 0.840 413 Q CB -0.637 28.080 28.738 -0.035 0.000 0.898 413 Q HN 0.349 nan 8.270 nan 0.000 0.424 414 L N 0.780 121.881 121.223 -0.203 0.000 1.990 414 L HA -0.204 4.140 4.340 0.007 0.000 0.213 414 L C 1.995 178.781 176.870 -0.140 0.000 1.072 414 L CA 2.188 56.902 54.840 -0.210 0.000 0.755 414 L CB -0.596 41.258 42.059 -0.342 0.000 0.889 414 L HN 0.170 nan 8.230 nan 0.000 0.432 415 A N -0.969 121.759 122.820 -0.152 0.000 2.252 415 A HA -0.033 4.291 4.320 0.007 0.000 0.207 415 A C 0.783 178.307 177.584 -0.100 0.000 1.194 415 A CA 0.404 52.359 52.037 -0.136 0.000 0.809 415 A CB -0.808 18.072 19.000 -0.200 0.000 0.814 415 A HN 0.572 nan 8.150 nan 0.000 0.482 416 K N -1.110 119.244 120.400 -0.076 0.000 3.451 416 K HA -0.136 4.188 4.320 0.007 0.000 0.273 416 K C -0.769 175.808 176.600 -0.038 0.000 0.944 416 K CA 0.588 56.844 56.287 -0.052 0.000 0.734 416 K CB -2.289 30.180 32.500 -0.052 0.000 1.437 416 K HN 0.196 nan 8.250 nan 0.000 0.454 417 V N 1.050 120.961 119.914 -0.006 0.000 2.540 417 V HA 0.169 4.294 4.120 0.007 0.000 0.302 417 V C 0.628 176.818 176.094 0.160 0.000 1.035 417 V CA -0.790 61.546 62.300 0.059 0.000 0.873 417 V CB 2.151 33.979 31.823 0.008 0.000 0.992 417 V HN 0.376 nan 8.190 nan 0.000 0.428 418 T N 6.197 120.792 114.554 0.067 0.000 2.902 418 T HA 0.430 4.784 4.350 0.007 0.000 0.301 418 T C -0.257 174.475 174.700 0.054 0.000 1.012 418 T CA 0.855 62.896 62.100 -0.098 0.000 1.151 418 T CB 0.111 68.739 68.868 -0.400 0.000 0.946 418 T HN 0.511 nan 8.240 nan 0.000 0.542 419 I N 2.505 123.055 120.570 -0.033 0.000 3.102 419 I HA 0.701 4.875 4.170 0.007 0.000 0.310 419 I C -1.429 174.700 176.117 0.018 0.000 1.246 419 I CA -1.006 60.304 61.300 0.016 0.000 0.979 419 I CB 2.155 40.079 38.000 -0.126 0.000 1.267 419 I HN 0.416 nan 8.210 nan 0.000 0.451 420 V N 4.202 124.196 119.914 0.133 0.000 2.709 420 V HA 0.470 4.594 4.120 0.007 0.000 0.308 420 V C -1.312 174.836 176.094 0.090 0.000 1.062 420 V CA -0.359 62.019 62.300 0.130 0.000 0.901 420 V CB 2.140 34.119 31.823 0.259 0.000 1.003 420 V HN 0.873 nan 8.190 nan 0.000 0.425 421 D N 4.105 124.535 120.400 0.050 0.000 2.354 421 D HA 0.200 4.844 4.640 0.007 0.000 0.247 421 D C 1.280 177.578 176.300 -0.003 0.000 1.138 421 D CA 0.266 54.280 54.000 0.024 0.000 0.958 421 D CB 0.564 41.343 40.800 -0.035 0.000 1.144 421 D HN 0.721 nan 8.370 nan 0.000 0.458 422 H N 0.211 119.214 119.070 -0.110 0.000 2.421 422 H HA -0.147 4.413 4.556 0.007 0.000 0.298 422 H C 1.153 176.359 175.328 -0.203 0.000 1.087 422 H CA 1.457 57.392 56.048 -0.188 0.000 1.330 422 H CB -0.744 28.844 29.762 -0.289 0.000 1.388 422 H HN 0.528 nan 8.280 nan 0.000 0.526 423 H N 1.409 120.309 119.070 -0.283 0.000 2.276 423 H HA 0.067 4.627 4.556 0.007 0.000 0.301 423 H C 2.583 177.896 175.328 -0.026 0.000 1.073 423 H CA 1.428 57.398 56.048 -0.131 0.000 1.311 423 H CB -0.501 29.147 29.762 -0.189 0.000 1.379 423 H HN 0.490 nan 8.280 nan 0.000 0.494 424 A N 1.477 124.356 122.820 0.099 0.000 1.908 424 A HA -0.143 4.182 4.320 0.007 0.000 0.218 424 A C 2.713 180.366 177.584 0.115 0.000 1.181 424 A CA 2.031 54.125 52.037 0.094 0.000 0.627 424 A CB -0.874 18.172 19.000 0.075 0.000 0.818 424 A HN 0.465 nan 8.150 nan 0.000 0.445 425 A N -0.385 122.500 122.820 0.109 0.000 1.873 425 A HA -0.080 4.245 4.320 0.007 0.000 0.215 425 A C 2.443 180.117 177.584 0.149 0.000 1.186 425 A CA 2.500 54.617 52.037 0.134 0.000 0.616 425 A CB -1.379 17.687 19.000 0.109 0.000 0.823 425 A HN 0.751 nan 8.150 nan 0.000 0.442 426 T N -2.573 112.054 114.554 0.121 0.000 2.904 426 T HA -0.065 4.290 4.350 0.007 0.000 0.267 426 T C 1.678 176.505 174.700 0.213 0.000 1.059 426 T CA 1.256 63.450 62.100 0.156 0.000 1.137 426 T CB -0.698 68.230 68.868 0.101 0.000 0.879 426 T HN 0.040 nan 8.240 nan 0.000 0.467 427 V N 2.823 122.838 119.914 0.169 0.000 2.332 427 V HA -0.171 3.953 4.120 0.007 0.000 0.248 427 V C 3.130 179.319 176.094 0.159 0.000 1.055 427 V CA 2.159 64.550 62.300 0.152 0.000 1.038 427 V CB -0.866 31.028 31.823 0.118 0.000 0.651 427 V HN 0.809 nan 8.190 nan 0.000 0.450 428 S N -1.014 114.793 115.700 0.178 0.000 2.496 428 S HA -0.073 4.402 4.470 0.007 0.000 0.224 428 S C 1.785 176.521 174.600 0.226 0.000 0.996 428 S CA 0.765 59.070 58.200 0.175 0.000 0.927 428 S CB -0.467 62.833 63.200 0.165 0.000 0.774 428 S HN 0.556 nan 8.310 nan 0.000 0.524 429 F N 1.996 122.012 119.950 0.109 0.000 2.335 429 F HA 0.267 4.798 4.527 0.007 0.000 0.296 429 F C 2.023 177.916 175.800 0.155 0.000 1.091 429 F CA 0.644 58.725 58.000 0.134 0.000 1.399 429 F CB -0.232 38.823 39.000 0.091 0.000 1.067 429 F HN 0.066 nan 8.300 nan 0.000 0.520 430 M N 0.545 120.213 119.600 0.112 0.000 2.144 430 M HA -0.203 4.282 4.480 0.007 0.000 0.260 430 M C 2.154 178.429 176.300 -0.041 0.000 1.067 430 M CA 1.584 56.892 55.300 0.014 0.000 1.095 430 M CB -1.257 31.404 32.600 0.102 0.000 1.365 430 M HN 0.116 nan 8.290 nan 0.000 0.406 431 K N -0.630 119.782 120.400 0.020 0.000 2.116 431 K HA -0.153 4.171 4.320 0.007 0.000 0.203 431 K C 1.975 178.570 176.600 -0.008 0.000 1.052 431 K CA 1.484 57.781 56.287 0.017 0.000 0.952 431 K CB -0.552 31.983 32.500 0.057 0.000 0.729 431 K HN 0.414 nan 8.250 nan 0.000 0.446 432 H N 0.042 119.043 119.070 -0.114 0.000 2.387 432 H HA 0.016 4.576 4.556 0.007 0.000 0.299 432 H C 1.653 176.841 175.328 -0.234 0.000 1.090 432 H CA 2.037 57.999 56.048 -0.143 0.000 1.332 432 H CB -0.094 29.587 29.762 -0.135 0.000 1.386 432 H HN 0.153 nan 8.280 nan 0.000 0.516 433 L N -0.222 120.728 121.223 -0.457 0.000 2.017 433 L HA -0.164 4.181 4.340 0.007 0.000 0.208 433 L C 2.298 179.006 176.870 -0.269 0.000 1.073 433 L CA 1.841 56.417 54.840 -0.441 0.000 0.745 433 L CB -0.487 41.352 42.059 -0.367 0.000 0.894 433 L HN 0.390 nan 8.230 nan 0.000 0.432 434 D N -0.068 120.225 120.400 -0.179 0.000 2.104 434 D HA -0.195 4.450 4.640 0.007 0.000 0.194 434 D C 1.893 178.125 176.300 -0.114 0.000 0.994 434 D CA 1.282 55.215 54.000 -0.112 0.000 0.830 434 D CB 0.092 40.854 40.800 -0.064 0.000 0.959 434 D HN 0.182 nan 8.370 nan 0.000 0.452 435 N N 0.587 119.210 118.700 -0.127 0.000 2.043 435 N HA -0.140 4.604 4.740 0.007 0.000 0.193 435 N C 1.640 177.069 175.510 -0.135 0.000 1.037 435 N CA 0.920 53.912 53.050 -0.097 0.000 0.851 435 N CB -0.393 38.063 38.487 -0.052 0.000 1.027 435 N HN 0.348 nan 8.380 nan 0.000 0.422 436 E N 0.648 120.688 120.200 -0.267 0.000 2.204 436 E HA -0.158 4.197 4.350 0.007 0.000 0.194 436 E C 1.851 178.356 176.600 -0.157 0.000 0.989 436 E CA 0.539 56.783 56.400 -0.259 0.000 0.824 436 E CB -0.041 29.393 29.700 -0.443 0.000 0.756 436 E HN 0.317 nan 8.360 nan 0.000 0.477 437 Q N 1.526 121.242 119.800 -0.141 0.000 2.020 437 Q HA -0.132 4.213 4.340 0.007 0.000 0.202 437 Q C 1.840 177.798 176.000 -0.070 0.000 0.982 437 Q CA 1.729 57.478 55.803 -0.090 0.000 0.838 437 Q CB -0.034 28.657 28.738 -0.079 0.000 0.899 437 Q HN 0.125 nan 8.270 nan 0.000 0.423 438 K N -0.749 119.612 120.400 -0.064 0.000 2.057 438 K HA -0.065 4.260 4.320 0.007 0.000 0.207 438 K C 1.978 178.553 176.600 -0.041 0.000 1.049 438 K CA 1.171 57.431 56.287 -0.046 0.000 0.931 438 K CB -0.186 32.292 32.500 -0.036 0.000 0.714 438 K HN 0.253 nan 8.250 nan 0.000 0.440 439 A N 1.069 123.863 122.820 -0.043 0.000 1.898 439 A HA -0.032 4.292 4.320 0.007 0.000 0.214 439 A C 1.826 179.387 177.584 -0.038 0.000 1.183 439 A CA 1.003 53.024 52.037 -0.027 0.000 0.622 439 A CB 0.043 19.042 19.000 -0.002 0.000 0.824 439 A HN 0.143 nan 8.150 nan 0.000 0.444 440 R N -2.543 117.922 120.500 -0.058 0.000 2.517 440 R HA 0.255 4.600 4.340 0.007 0.000 0.265 440 R C 0.828 177.093 176.300 -0.058 0.000 0.921 440 R CA 0.568 56.636 56.100 -0.054 0.000 1.054 440 R CB 0.717 30.980 30.300 -0.061 0.000 1.340 440 R HN 0.704 nan 8.270 nan 0.000 0.551 441 G N 1.047 109.808 108.800 -0.065 0.000 2.149 441 G HA2 -0.168 3.796 3.960 0.007 0.000 0.235 441 G HA3 -0.168 3.796 3.960 0.007 0.000 0.235 441 G C 0.162 175.036 174.900 -0.043 0.000 1.018 441 G CA 0.056 45.113 45.100 -0.072 0.000 0.728 441 G HN 0.713 nan 8.290 nan 0.000 0.508 442 G N -2.437 106.350 108.800 -0.022 0.000 2.328 442 G HA2 0.548 4.513 3.960 0.007 0.000 0.299 442 G HA3 0.548 4.513 3.960 0.007 0.000 0.299 442 G C -0.880 174.043 174.900 0.039 0.000 1.435 442 G CA 0.292 45.419 45.100 0.046 0.000 0.865 442 G HN 1.865 nan 8.290 nan 0.000 0.601 443 C N 2.409 121.755 119.300 0.078 0.000 2.727 443 C HA 0.709 5.174 4.460 0.007 0.000 0.369 443 C C -2.514 172.445 174.990 -0.053 0.000 1.067 443 C CA -1.223 57.784 59.018 -0.019 0.000 1.273 443 C CB 1.100 28.772 27.740 -0.114 0.000 1.778 443 C HN 0.697 nan 8.230 nan 0.000 0.467 444 P HA 0.428 nan 4.420 nan 0.000 0.271 444 P C -0.700 176.480 177.300 -0.199 0.000 1.216 444 P CA 0.510 63.188 63.100 -0.704 0.000 0.771 444 P CB 1.143 32.144 31.700 -1.165 0.000 0.864 445 A N 2.176 124.955 122.820 -0.068 0.000 2.517 445 A HA 0.394 4.719 4.320 0.007 0.000 0.297 445 A C -1.225 176.418 177.584 0.098 0.000 1.050 445 A CA -0.549 51.546 52.037 0.096 0.000 0.694 445 A CB 1.213 20.395 19.000 0.303 0.000 1.277 445 A HN 0.436 nan 8.150 nan 0.000 0.400 446 D N 1.957 122.403 120.400 0.076 0.000 2.428 446 D HA 0.175 4.820 4.640 0.007 0.000 0.221 446 D C 0.815 177.252 176.300 0.227 0.000 1.123 446 D CA -0.424 53.646 54.000 0.116 0.000 0.869 446 D CB 0.397 41.183 40.800 -0.023 0.000 1.032 446 D HN 0.585 nan 8.370 nan 0.000 0.506 447 W N 4.270 125.617 121.300 0.077 0.000 2.318 447 W HA -0.260 4.405 4.660 0.008 0.000 0.313 447 W C 1.941 178.497 176.519 0.063 0.000 1.221 447 W CA 2.255 59.632 57.345 0.053 0.000 1.266 447 W CB -0.011 29.453 29.460 0.007 0.000 1.150 447 W HN 0.556 nan 8.180 nan 0.000 0.496 448 A N -1.399 121.693 122.820 0.453 0.000 2.070 448 A HA -0.176 4.149 4.320 0.007 0.000 0.220 448 A C 1.447 179.080 177.584 0.082 0.000 1.159 448 A CA 1.532 53.749 52.037 0.300 0.000 0.656 448 A CB -1.180 18.034 19.000 0.357 0.000 0.800 448 A HN 0.541 nan 8.150 nan 0.000 0.453 449 W N -1.031 120.232 121.300 -0.061 0.000 2.683 449 W HA 0.204 4.868 4.660 0.007 0.000 0.267 449 W C 1.836 178.243 176.519 -0.187 0.000 1.243 449 W CA -0.060 57.226 57.345 -0.098 0.000 1.380 449 W CB -0.005 29.420 29.460 -0.058 0.000 1.063 449 W HN 0.126 nan 8.180 nan 0.000 0.599 450 I N -0.190 120.347 120.570 -0.054 0.000 2.406 450 I HA -0.058 4.117 4.170 0.007 0.000 0.249 450 I C 0.624 176.540 176.117 -0.334 0.000 1.122 450 I CA 0.783 61.917 61.300 -0.276 0.000 1.431 450 I CB -1.388 36.373 38.000 -0.399 0.000 1.087 450 I HN -0.417 nan 8.210 nan 0.000 0.424 451 V N 4.831 124.474 119.914 -0.450 0.000 2.521 451 V HA 0.103 4.228 4.120 0.007 0.000 0.286 451 V C -1.787 174.127 176.094 -0.300 0.000 1.034 451 V CA -1.047 60.970 62.300 -0.471 0.000 1.045 451 V CB 0.427 31.751 31.823 -0.831 0.000 0.974 451 V HN 0.156 nan 8.190 nan 0.000 0.480 452 P HA 0.229 nan 4.420 nan 0.000 0.274 452 P C -2.227 174.940 177.300 -0.221 0.000 1.231 452 P CA -1.677 61.295 63.100 -0.214 0.000 0.790 452 P CB 0.479 32.062 31.700 -0.195 0.000 0.951 453 P HA 0.056 nan 4.420 nan 0.000 0.241 453 P C 0.492 177.672 177.300 -0.200 0.000 1.191 453 P CA 0.912 63.889 63.100 -0.205 0.000 0.771 453 P CB 0.100 31.674 31.700 -0.210 0.000 0.929 454 I N -6.059 114.349 120.570 -0.270 0.000 2.797 454 I HA 0.473 4.648 4.170 0.007 0.000 0.307 454 I C 0.176 176.175 176.117 -0.196 0.000 1.033 454 I CA -1.233 59.928 61.300 -0.231 0.000 1.071 454 I CB 1.756 39.598 38.000 -0.263 0.000 1.255 454 I HN -0.386 nan 8.210 nan 0.000 0.445 455 S N 2.087 117.725 115.700 -0.104 0.000 3.521 455 S HA -0.206 4.268 4.470 0.007 0.000 0.328 455 S C 1.409 175.977 174.600 -0.053 0.000 1.165 455 S CA 0.803 58.982 58.200 -0.035 0.000 0.941 455 S CB -1.825 61.427 63.200 0.087 0.000 0.951 455 S HN 1.328 nan 8.310 nan 0.000 0.539 456 G N 2.467 111.213 108.800 -0.091 0.000 2.870 456 G HA2 -0.428 3.536 3.960 0.007 0.000 0.237 456 G HA3 -0.428 3.536 3.960 0.007 0.000 0.237 456 G C 1.401 176.191 174.900 -0.185 0.000 1.209 456 G CA 2.125 47.182 45.100 -0.070 0.000 0.769 456 G HN 1.497 nan 8.290 nan 0.000 0.704 457 S N -0.131 115.175 115.700 -0.657 0.000 2.603 457 S HA 0.168 4.642 4.470 0.007 0.000 0.229 457 S C 1.884 176.408 174.600 -0.126 0.000 0.972 457 S CA 0.893 58.565 58.200 -0.879 0.000 0.935 457 S CB 0.057 62.481 63.200 -1.294 0.000 0.769 457 S HN 0.122 nan 8.310 nan 0.000 0.536 458 L N 2.358 123.561 121.223 -0.033 0.000 2.554 458 L HA 0.250 4.594 4.340 0.007 0.000 0.226 458 L C 1.293 178.284 176.870 0.202 0.000 1.137 458 L CA 0.646 55.554 54.840 0.112 0.000 0.863 458 L CB -0.780 41.365 42.059 0.144 0.000 0.985 458 L HN 0.584 nan 8.230 nan 0.000 0.451 459 T N -4.671 109.986 114.554 0.172 0.000 2.925 459 T HA 0.396 4.750 4.350 0.007 0.000 0.285 459 T C -1.805 173.051 174.700 0.259 0.000 1.021 459 T CA -1.934 60.282 62.100 0.193 0.000 1.042 459 T CB 1.891 70.817 68.868 0.095 0.000 1.037 459 T HN -0.187 nan 8.240 nan 0.000 0.481 460 P HA -0.059 nan 4.420 nan 0.000 0.221 460 P C 1.876 179.381 177.300 0.341 0.000 1.150 460 P CA 0.902 64.199 63.100 0.328 0.000 0.800 460 P CB -0.425 31.415 31.700 0.233 0.000 0.787 461 V N -3.435 116.622 119.914 0.238 0.000 2.490 461 V HA -0.231 3.894 4.120 0.007 0.000 0.250 461 V C 2.294 178.474 176.094 0.142 0.000 1.061 461 V CA 1.356 63.769 62.300 0.188 0.000 1.064 461 V CB -2.265 29.606 31.823 0.081 0.000 0.670 461 V HN -0.114 nan 8.190 nan 0.000 0.461 462 F N 2.088 121.984 119.950 -0.090 0.000 2.147 462 F HA -0.224 4.308 4.527 0.007 0.000 0.301 462 F C 2.423 178.315 175.800 0.153 0.000 1.084 462 F CA 2.405 60.359 58.000 -0.077 0.000 1.268 462 F CB -0.341 38.489 39.000 -0.283 0.000 1.009 462 F HN 0.324 nan 8.300 nan 0.000 0.486 463 H N -1.081 118.326 119.070 0.562 0.000 2.536 463 H HA 0.125 4.686 4.556 0.007 0.000 0.276 463 H C 0.207 175.797 175.328 0.436 0.000 1.019 463 H CA 0.217 56.556 56.048 0.484 0.000 1.159 463 H CB -0.231 29.783 29.762 0.420 0.000 1.373 463 H HN 0.252 nan 8.280 nan 0.000 0.584 464 Q N 1.836 121.926 119.800 0.484 0.000 2.333 464 Q HA 0.185 4.529 4.340 0.007 0.000 0.265 464 Q C -0.653 175.599 176.000 0.419 0.000 0.989 464 Q CA -0.506 55.536 55.803 0.398 0.000 0.842 464 Q CB 1.001 29.937 28.738 0.329 0.000 1.262 464 Q HN 0.222 nan 8.270 nan 0.000 0.451 465 E N 3.431 123.818 120.200 0.311 0.000 2.383 465 E HA 0.298 4.653 4.350 0.007 0.000 0.264 465 E C -0.464 176.275 176.600 0.231 0.000 1.050 465 E CA 0.247 56.779 56.400 0.220 0.000 0.896 465 E CB 0.850 30.658 29.700 0.179 0.000 0.982 465 E HN 0.596 nan 8.360 nan 0.000 0.424 466 M N 1.307 121.043 119.600 0.227 0.000 2.550 466 M HA 0.383 4.868 4.480 0.007 0.000 0.292 466 M C -1.177 175.234 176.300 0.184 0.000 1.221 466 M CA -1.078 54.361 55.300 0.232 0.000 0.873 466 M CB 2.349 35.142 32.600 0.321 0.000 1.727 466 M HN 0.146 nan 8.290 nan 0.000 0.459 467 V N 1.382 121.414 119.914 0.198 0.000 2.370 467 V HA 0.363 4.487 4.120 0.007 0.000 0.283 467 V C -0.459 175.753 176.094 0.197 0.000 1.023 467 V CA -0.724 61.725 62.300 0.247 0.000 0.857 467 V CB 1.347 33.396 31.823 0.376 0.000 0.985 467 V HN 0.848 nan 8.190 nan 0.000 0.443 468 N N 3.625 122.428 118.700 0.171 0.000 2.438 468 N HA 0.650 5.395 4.740 0.007 0.000 0.282 468 N C -1.598 174.014 175.510 0.170 0.000 1.037 468 N CA -0.412 52.668 53.050 0.049 0.000 0.942 468 N CB 1.328 39.836 38.487 0.035 0.000 1.136 468 N HN 0.752 nan 8.380 nan 0.000 0.481 469 Y N 0.791 121.111 120.300 0.034 0.000 2.604 469 Y HA 0.451 5.006 4.550 0.007 0.000 0.331 469 Y C -1.344 174.566 175.900 0.018 0.000 1.158 469 Y CA -1.132 56.984 58.100 0.026 0.000 1.056 469 Y CB 0.555 39.036 38.460 0.035 0.000 1.330 469 Y HN 0.203 nan 8.280 nan 0.000 0.457 470 I N 4.129 124.805 120.570 0.176 0.000 2.325 470 I HA 0.380 4.554 4.170 0.007 0.000 0.291 470 I C -0.464 175.731 176.117 0.130 0.000 1.019 470 I CA -0.349 61.002 61.300 0.085 0.000 1.302 470 I CB 0.814 38.851 38.000 0.061 0.000 1.401 470 I HN 0.491 nan 8.210 nan 0.000 0.485 471 L N 4.817 126.084 121.223 0.074 0.000 2.301 471 L HA 0.604 4.949 4.340 0.007 0.000 0.264 471 L C -0.199 176.689 176.870 0.029 0.000 1.016 471 L CA -0.629 54.260 54.840 0.081 0.000 0.821 471 L CB 2.166 44.273 42.059 0.080 0.000 1.346 471 L HN 0.477 nan 8.230 nan 0.000 0.429 472 S N 0.433 116.156 115.700 0.040 0.000 2.541 472 S HA 0.591 5.065 4.470 0.007 0.000 0.280 472 S C -2.644 171.992 174.600 0.060 0.000 1.112 472 S CA -1.241 56.976 58.200 0.027 0.000 0.925 472 S CB 2.062 65.294 63.200 0.053 0.000 1.067 472 S HN 0.209 nan 8.310 nan 0.000 0.479 473 P HA 0.254 nan 4.420 nan 0.000 0.268 473 P C -1.380 175.830 177.300 -0.149 0.000 1.189 473 P CA 0.207 63.251 63.100 -0.093 0.000 0.771 473 P CB 0.355 31.959 31.700 -0.161 0.000 0.822 474 A N 1.713 124.408 122.820 -0.208 0.000 2.549 474 A HA 0.663 4.987 4.320 0.007 0.000 0.297 474 A C -1.411 175.991 177.584 -0.304 0.000 1.061 474 A CA -0.485 51.443 52.037 -0.181 0.000 0.690 474 A CB 0.791 19.757 19.000 -0.056 0.000 1.287 474 A HN 0.279 nan 8.150 nan 0.000 0.402 475 F N 1.283 121.217 119.950 -0.025 0.000 2.404 475 F HA 0.614 5.145 4.527 0.006 0.000 0.345 475 F C 0.979 176.794 175.800 0.026 0.000 1.110 475 F CA 0.180 58.180 58.000 0.001 0.000 1.130 475 F CB 1.259 40.240 39.000 -0.032 0.000 1.129 475 F HN 0.565 nan 8.300 nan 0.000 0.500 476 R N 3.302 123.944 120.500 0.236 0.000 2.561 476 R HA 0.266 4.610 4.340 0.007 0.000 0.297 476 R C -1.273 175.133 176.300 0.177 0.000 0.969 476 R CA -0.896 55.298 56.100 0.155 0.000 0.879 476 R CB 1.254 31.605 30.300 0.085 0.000 1.178 476 R HN 0.686 nan 8.270 nan 0.000 0.445 477 Y N 3.347 123.679 120.300 0.052 0.000 2.550 477 Y HA -0.031 4.523 4.550 0.007 0.000 0.343 477 Y C -0.312 175.596 175.900 0.013 0.000 1.245 477 Y CA 0.895 59.016 58.100 0.035 0.000 1.462 477 Y CB 0.711 39.178 38.460 0.012 0.000 1.340 477 Y HN 0.507 nan 8.280 nan 0.000 0.604 478 Q N 5.915 125.340 119.800 -0.626 0.000 2.359 478 Q HA 0.532 4.876 4.340 0.007 0.000 0.274 478 Q C -3.028 172.630 176.000 -0.570 0.000 1.074 478 Q CA -2.521 53.044 55.803 -0.396 0.000 0.810 478 Q CB 2.202 30.799 28.738 -0.236 0.000 1.342 478 Q HN 0.358 nan 8.270 nan 0.000 0.427 479 P HA -0.020 nan 4.420 nan 0.000 0.266 479 P C -0.646 176.387 177.300 -0.445 0.000 1.195 479 P CA 0.024 62.962 63.100 -0.270 0.000 0.768 479 P CB 0.414 32.001 31.700 -0.189 0.000 0.838 480 D N 4.174 124.221 120.400 -0.587 0.000 2.703 480 D HA -0.077 4.568 4.640 0.007 0.000 0.225 480 D C -1.291 174.434 176.300 -0.959 0.000 1.119 480 D CA -0.248 53.138 54.000 -1.022 0.000 0.845 480 D CB -0.251 39.491 40.800 -1.763 0.000 1.182 480 D HN 0.301 nan 8.370 nan 0.000 0.493 481 P HA 0.037 nan 4.420 nan 0.000 0.237 481 P C -0.000 176.932 177.300 -0.613 0.000 1.178 481 P CA 0.368 63.040 63.100 -0.714 0.000 0.766 481 P CB 0.093 31.265 31.700 -0.880 0.000 0.876 482 W N 0.000 120.889 121.300 -0.685 0.000 2.388 482 W HA 0.000 4.664 4.660 0.007 0.000 0.303 482 W CA 0.000 57.112 57.345 -0.388 0.000 1.226 482 W CB 0.000 29.268 29.460 -0.320 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535