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 2hck_1_B DATA FIRST_RESID 82 DATA SEQUENCE EDIIVVALYD YEAIHHEDLS FQKGDQMVVL EESXGEWWKA RSLATRKEGY DATA SEQUENCE IPSNYVARVD SLETEEWFFK GISRKDAERQ LLAPGNMLGS FMIRDSETTK DATA SEQUENCE GSYSLSVRDY DPRQGDTVKH YKIRTLDNGG FYISPRSTFS TLQELVDHYK DATA SEQUENCE KGNDGLCQKL SVPCMSSKPQ KPWEXKDAWE IPRESLKLEK KLGAGQFGEV DATA SEQUENCE WMATYNKHTK VAVKTMKPGS MSVEAFLAEA NVMKTLQHDK LVKLHAVVTK DATA SEQUENCE EPIYIITEFM AKGSLLDFLK SDEGSKQPLP KLIDFSAQIA EGMAFIEQRN DATA SEQUENCE YIHRDLRAAN ILVSASLVCK IADFGLARVG XXXXXXXXXX AKFPIKWTAP DATA SEQUENCE EAINFGSFTI KSDVWSFGIL LMEIVTYGRI PYPGMSNPEV IRALERGYRM DATA SEQUENCE PRPENCPEEL YNIMMRCWKN RPEERPTFEY IQSVLDDFYT ATESQXQQQP 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 82 E HA 0.000 nan 4.350 nan 0.000 0.291 82 E C 0.000 176.592 176.600 -0.014 0.000 1.382 82 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 82 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 83 D N 0.340 120.731 120.400 -0.015 0.000 2.645 83 D HA 0.332 nan 4.640 nan 0.000 0.228 83 D C -1.768 174.520 176.300 -0.019 0.000 1.148 83 D CA -0.246 53.742 54.000 -0.020 0.000 0.860 83 D CB 1.561 42.349 40.800 -0.019 0.000 1.548 83 D HN 0.052 8.415 8.370 -0.013 0.000 0.460 84 I N 0.448 121.003 120.570 -0.026 0.000 2.363 84 I HA 0.129 nan 4.170 nan 0.000 0.292 84 I C -0.481 175.631 176.117 -0.007 0.000 1.075 84 I CA -0.308 60.980 61.300 -0.020 0.000 1.333 84 I CB -0.132 37.847 38.000 -0.036 0.000 1.415 84 I HN 0.389 8.580 8.210 -0.033 0.000 0.502 85 I N 7.274 127.842 120.570 -0.003 0.000 2.336 85 I HA 0.771 nan 4.170 nan 0.000 0.292 85 I C -1.914 174.204 176.117 0.002 0.000 0.991 85 I CA -1.138 60.161 61.300 -0.002 0.000 1.227 85 I CB 1.724 39.718 38.000 -0.010 0.000 1.366 85 I HN -0.085 8.122 8.210 -0.005 0.000 0.466 86 V N 3.619 123.537 119.914 0.006 0.000 3.193 86 V HA 0.901 nan 4.120 nan 0.000 0.320 86 V C -2.453 173.609 176.094 -0.053 0.000 1.112 86 V CA -3.215 59.082 62.300 -0.005 0.000 1.026 86 V CB 2.491 34.340 31.823 0.042 0.000 1.128 86 V HN 0.250 8.443 8.190 0.006 0.000 0.452 87 V N -0.592 119.276 119.914 -0.076 0.000 2.656 87 V HA 0.712 nan 4.120 nan 0.000 0.307 87 V C -1.721 174.291 176.094 -0.137 0.000 1.051 87 V CA -2.814 59.426 62.300 -0.100 0.000 0.893 87 V CB 4.260 36.031 31.823 -0.087 0.000 0.999 87 V HN 0.480 8.526 8.190 -0.069 0.102 0.426 88 A N 7.658 130.392 122.820 -0.143 0.000 2.473 88 A HA 0.191 nan 4.320 nan 0.000 0.282 88 A C 0.212 177.743 177.584 -0.088 0.000 1.163 88 A CA 0.421 52.389 52.037 -0.117 0.000 0.827 88 A CB -0.415 18.577 19.000 -0.013 0.000 1.098 88 A HN 0.307 8.383 8.150 -0.123 0.000 0.515 89 L N 4.725 125.865 121.223 -0.139 0.000 2.093 89 L HA -0.172 nan 4.340 nan 0.000 0.208 89 L C -0.244 176.257 176.870 -0.614 0.000 1.085 89 L CA 1.848 56.419 54.840 -0.448 0.000 0.755 89 L CB -0.039 41.644 42.059 -0.628 0.000 0.904 89 L HN 0.359 8.443 8.230 -0.087 0.094 0.435 90 Y N -5.781 114.651 120.300 0.220 0.000 2.669 90 Y HA 0.081 nan 4.550 nan 0.000 0.335 90 Y C -2.049 174.097 175.900 0.409 0.000 1.116 90 Y CA -2.078 56.184 58.100 0.271 0.000 1.081 90 Y CB 3.181 41.769 38.460 0.214 0.000 1.297 90 Y HN -0.920 7.598 8.280 0.396 0.000 0.484 91 D N -1.330 119.338 120.400 0.447 0.000 2.256 91 D HA 0.170 nan 4.640 nan 0.000 0.250 91 D C -1.694 174.699 176.300 0.154 0.000 1.093 91 D CA 0.160 54.315 54.000 0.258 0.000 0.882 91 D CB 0.802 41.687 40.800 0.142 0.000 1.185 91 D HN -0.018 8.612 8.370 0.433 0.000 0.437 92 Y N 2.977 123.017 120.300 -0.433 0.000 2.570 92 Y HA 0.174 nan 4.550 nan 0.000 0.345 92 Y C -2.423 173.182 175.900 -0.493 0.000 1.014 92 Y CA -1.632 56.042 58.100 -0.710 0.000 1.063 92 Y CB 3.981 41.485 38.460 -1.594 0.000 1.272 92 Y HN 0.864 8.886 8.280 -0.247 0.111 0.477 93 E N 3.859 123.587 120.200 -0.788 0.000 2.283 93 E HA 0.196 nan 4.350 nan 0.000 0.258 93 E C -1.780 174.258 176.600 -0.936 0.000 0.893 93 E CA -2.212 53.833 56.400 -0.592 0.000 0.798 93 E CB 0.214 29.674 29.700 -0.400 0.000 1.242 93 E HN 0.122 7.680 8.360 -1.336 0.000 0.414 94 A N 4.492 126.905 122.820 -0.679 0.000 2.407 94 A HA 0.117 nan 4.320 nan 0.000 0.248 94 A C -0.276 176.972 177.584 -0.560 0.000 1.082 94 A CA 0.063 51.726 52.037 -0.625 0.000 0.785 94 A CB 0.969 19.816 19.000 -0.255 0.000 1.020 94 A HN 0.224 8.109 8.150 -0.442 0.000 0.489 95 I N -7.030 113.168 120.570 -0.620 0.000 4.655 95 I HA 0.376 nan 4.170 nan 0.000 0.333 95 I C -0.551 175.244 176.117 -0.536 0.000 1.312 95 I CA -0.326 60.524 61.300 -0.751 0.000 1.270 95 I CB 1.563 38.982 38.000 -0.969 0.000 1.318 95 I HN -0.136 8.094 8.210 -0.581 -0.368 0.456 96 H N -1.161 117.831 119.070 -0.130 0.000 2.771 96 H HA 0.391 nan 4.556 nan 0.000 0.344 96 H C 1.821 177.139 175.328 -0.016 0.000 1.260 96 H CA -1.358 54.622 56.048 -0.112 0.000 1.276 96 H CB 2.396 32.065 29.762 -0.156 0.000 1.881 96 H HN -0.505 8.033 8.280 -0.219 -0.389 0.615 97 H N 1.506 120.601 119.070 0.042 0.000 2.289 97 H HA -0.333 nan 4.556 nan 0.000 0.296 97 H C 0.827 176.163 175.328 0.014 0.000 1.091 97 H CA 2.805 58.852 56.048 -0.001 0.000 1.274 97 H CB 0.406 30.149 29.762 -0.032 0.000 1.364 97 H HN 0.670 8.971 8.280 0.035 0.000 0.490 98 E N -4.364 115.933 120.200 0.161 0.000 2.583 98 E HA 0.197 nan 4.350 nan 0.000 0.213 98 E C -1.455 175.281 176.600 0.226 0.000 0.989 98 E CA -0.484 56.023 56.400 0.179 0.000 0.991 98 E CB 0.445 30.309 29.700 0.274 0.000 1.040 98 E HN 0.042 8.471 8.360 0.115 0.000 0.481 99 D N -0.878 119.627 120.400 0.175 0.000 2.354 99 D HA 0.259 nan 4.640 nan 0.000 0.247 99 D C -0.487 175.954 176.300 0.234 0.000 1.138 99 D CA -0.560 53.594 54.000 0.258 0.000 0.958 99 D CB 0.925 41.891 40.800 0.277 0.000 1.144 99 D HN -0.710 7.737 8.370 0.128 0.000 0.458 100 L N -0.634 120.798 121.223 0.349 0.000 2.346 100 L HA 0.203 nan 4.340 nan 0.000 0.276 100 L C -1.156 175.881 176.870 0.278 0.000 1.006 100 L CA -0.524 54.488 54.840 0.286 0.000 0.817 100 L CB 3.073 45.327 42.059 0.324 0.000 1.272 100 L HN 0.145 8.684 8.230 0.514 0.000 0.421 101 S N 3.798 119.556 115.700 0.097 0.000 2.548 101 S HA 0.177 nan 4.470 nan 0.000 0.277 101 S C -1.446 173.229 174.600 0.125 0.000 1.315 101 S CA 0.957 59.123 58.200 -0.057 0.000 1.050 101 S CB 0.481 63.630 63.200 -0.084 0.000 0.918 101 S HN 0.183 8.551 8.310 0.096 0.000 0.497 102 F N 0.650 120.667 119.950 0.111 0.000 2.615 102 F HA 0.505 nan 4.527 nan 0.000 0.312 102 F C -2.083 173.777 175.800 0.101 0.000 1.119 102 F CA -1.517 56.543 58.000 0.099 0.000 0.979 102 F CB 2.035 41.100 39.000 0.108 0.000 1.266 102 F HN -0.036 7.912 8.300 -0.395 0.115 0.444 103 Q N 0.547 120.523 119.800 0.294 0.000 2.316 103 Q HA 0.450 nan 4.340 nan 0.000 0.215 103 Q C 0.355 176.507 176.000 0.252 0.000 1.020 103 Q CA -1.061 54.872 55.803 0.215 0.000 0.970 103 Q CB 2.027 30.839 28.738 0.123 0.000 1.187 103 Q HN 0.168 8.753 8.270 0.255 -0.163 0.546 104 K N -0.686 119.817 120.400 0.172 0.000 2.270 104 K HA -0.273 nan 4.320 nan 0.000 0.276 104 K C 0.416 177.047 176.600 0.052 0.000 1.023 104 K CA 1.038 57.391 56.287 0.111 0.000 0.955 104 K CB 0.206 32.740 32.500 0.057 0.000 0.975 104 K HN -0.161 8.274 8.250 0.136 -0.103 0.471 105 G N 4.859 113.663 108.800 0.006 0.000 2.299 105 G HA2 -0.449 nan 3.960 nan 0.000 0.237 105 G HA3 -0.449 nan 3.960 nan 0.000 0.237 105 G C -0.501 174.395 174.900 -0.007 0.000 1.027 105 G CA -0.029 45.062 45.100 -0.015 0.000 0.619 105 G HN 0.515 8.798 8.290 -0.013 0.000 0.513 106 D N 2.013 122.425 120.400 0.019 0.000 2.360 106 D HA 0.003 nan 4.640 nan 0.000 0.242 106 D C -1.171 175.116 176.300 -0.021 0.000 1.184 106 D CA 0.554 54.564 54.000 0.016 0.000 0.930 106 D CB 0.803 41.635 40.800 0.053 0.000 1.161 106 D HN -0.628 7.695 8.370 0.050 0.077 0.447 107 Q N -2.131 117.656 119.800 -0.021 0.000 2.416 107 Q HA 0.898 nan 4.340 nan 0.000 0.279 107 Q C -1.205 174.772 176.000 -0.039 0.000 1.101 107 Q CA -0.848 54.930 55.803 -0.041 0.000 0.830 107 Q CB 4.182 32.903 28.738 -0.029 0.000 1.402 107 Q HN 0.185 8.452 8.270 -0.005 0.000 0.445 108 M N -1.365 118.205 119.600 -0.051 0.000 2.618 108 M HA 0.537 nan 4.480 nan 0.000 0.281 108 M C -1.952 174.338 176.300 -0.017 0.000 1.267 108 M CA -0.658 54.618 55.300 -0.040 0.000 0.845 108 M CB 5.331 37.880 32.600 -0.085 0.000 1.732 108 M HN 0.158 8.416 8.290 -0.052 0.000 0.461 109 V N -0.076 119.835 119.914 -0.004 0.000 2.513 109 V HA 0.664 nan 4.120 nan 0.000 0.299 109 V C -1.501 174.603 176.094 0.017 0.000 1.035 109 V CA -1.242 61.060 62.300 0.002 0.000 0.889 109 V CB 1.487 33.307 31.823 -0.006 0.000 0.988 109 V HN -0.066 8.190 8.190 -0.003 -0.067 0.440 110 V N 5.892 125.819 119.914 0.023 0.000 2.644 110 V HA 0.606 nan 4.120 nan 0.000 0.295 110 V C -1.538 174.540 176.094 -0.026 0.000 1.053 110 V CA -0.907 61.413 62.300 0.033 0.000 0.987 110 V CB 1.401 33.248 31.823 0.040 0.000 1.006 110 V HN -0.238 7.957 8.190 0.008 0.000 0.472 111 L N 5.837 127.045 121.223 -0.026 0.000 2.685 111 L HA 0.379 nan 4.340 nan 0.000 0.235 111 L C 0.283 177.116 176.870 -0.062 0.000 1.070 111 L CA 1.102 55.915 54.840 -0.045 0.000 0.888 111 L CB 2.043 44.077 42.059 -0.042 0.000 1.203 111 L HN 0.921 9.070 8.230 0.009 0.087 0.499 112 E N -2.060 118.103 120.200 -0.062 0.000 2.321 112 E HA 0.158 nan 4.350 nan 0.000 0.278 112 E C -1.817 174.647 176.600 -0.228 0.000 0.902 112 E CA -0.594 55.757 56.400 -0.082 0.000 0.758 112 E CB 3.869 33.589 29.700 0.033 0.000 1.213 112 E HN -0.762 7.584 8.360 -0.023 0.000 0.426 113 E N 3.651 123.590 120.200 -0.434 0.000 2.261 113 E HA 0.172 nan 4.350 nan 0.000 0.239 113 E C -1.161 175.301 176.600 -0.229 0.000 0.991 113 E CA -0.954 54.858 56.400 -0.981 0.000 0.847 113 E CB 0.475 29.519 29.700 -1.092 0.000 1.223 113 E HN 0.379 8.562 8.360 -0.294 0.000 0.446 117 E N 2.090 122.345 120.200 0.092 0.000 2.169 117 E HA -0.288 nan 4.350 nan 0.000 0.202 117 E C -0.179 176.222 176.600 -0.332 0.000 1.016 117 E CA 2.289 58.599 56.400 -0.151 0.000 0.817 117 E CB 0.497 30.111 29.700 -0.143 0.000 0.736 117 E HN 0.265 8.704 8.360 0.131 0.000 0.462 118 W N -4.167 117.172 121.300 0.066 0.000 2.702 118 W HA 0.237 nan 4.660 nan 0.000 0.331 118 W C -1.454 175.324 176.519 0.433 0.000 1.049 118 W CA -1.332 56.096 57.345 0.137 0.000 1.230 118 W CB 2.196 31.738 29.460 0.137 0.000 1.408 118 W HN -0.856 7.507 8.180 0.378 0.044 0.492 119 W N 0.724 122.290 121.300 0.443 0.000 2.781 119 W HA 0.569 nan 4.660 nan 0.000 0.345 119 W C -1.654 175.041 176.519 0.294 0.000 1.085 119 W CA -3.042 54.482 57.345 0.300 0.000 1.198 119 W CB 3.376 32.928 29.460 0.154 0.000 1.423 119 W HN 1.047 9.468 8.180 0.580 0.107 0.532 120 K N 0.849 121.441 120.400 0.320 0.000 2.156 120 K HA 0.612 nan 4.320 nan 0.000 0.271 120 K C -1.864 174.763 176.600 0.046 0.000 0.995 120 K CA -0.969 55.297 56.287 -0.036 0.000 0.890 120 K CB 2.114 34.469 32.500 -0.240 0.000 1.073 120 K HN -0.053 8.373 8.250 0.294 0.000 0.454 121 A N 4.695 127.527 122.820 0.019 0.000 2.515 121 A HA 0.769 nan 4.320 nan 0.000 0.296 121 A C -2.700 174.886 177.584 0.003 0.000 1.094 121 A CA -1.729 50.328 52.037 0.033 0.000 0.718 121 A CB 4.159 23.195 19.000 0.059 0.000 1.307 121 A HN 1.116 9.153 8.150 -0.017 0.103 0.408 122 R N 0.972 121.473 120.500 0.002 0.000 2.239 122 R HA 0.334 nan 4.340 nan 0.000 0.332 122 R C -0.456 175.851 176.300 0.011 0.000 0.988 122 R CA -1.873 54.228 56.100 0.002 0.000 0.859 122 R CB 1.489 31.786 30.300 -0.006 0.000 1.148 122 R HN 0.365 8.637 8.270 0.003 0.000 0.482 123 S N 6.952 122.669 115.700 0.029 0.000 2.507 123 S HA -0.145 nan 4.470 nan 0.000 0.299 123 S C 0.305 174.920 174.600 0.024 0.000 1.214 123 S CA 0.083 58.305 58.200 0.036 0.000 1.137 123 S CB 0.280 63.527 63.200 0.078 0.000 1.009 123 S HN 0.395 8.729 8.310 0.039 0.000 0.512 124 L N 7.330 128.559 121.223 0.011 0.000 2.129 124 L HA -0.299 nan 4.340 nan 0.000 0.212 124 L C 0.822 177.701 176.870 0.015 0.000 1.087 124 L CA 3.056 57.901 54.840 0.008 0.000 0.757 124 L CB -0.439 41.620 42.059 -0.000 0.000 0.896 124 L HN 0.271 8.502 8.230 0.003 0.000 0.434 125 A N -4.432 118.403 122.820 0.025 0.000 2.119 125 A HA -0.087 nan 4.320 nan 0.000 0.216 125 A C 0.334 177.940 177.584 0.037 0.000 1.152 125 A CA 2.191 54.248 52.037 0.033 0.000 0.708 125 A CB 0.195 19.223 19.000 0.046 0.000 0.805 125 A HN -0.311 7.829 8.150 0.026 0.026 0.460 126 T N -8.184 106.394 114.554 0.040 0.000 3.016 126 T HA 0.165 nan 4.350 nan 0.000 0.271 126 T C 0.763 175.479 174.700 0.026 0.000 0.968 126 T CA -0.657 61.464 62.100 0.036 0.000 0.891 126 T CB 1.350 70.247 68.868 0.048 0.000 1.149 126 T HN -0.279 7.853 8.240 0.042 0.133 0.524 127 R N -2.588 117.925 120.500 0.022 0.000 4.023 127 R HA -0.448 nan 4.340 nan 0.000 0.368 127 R C -0.837 175.472 176.300 0.015 0.000 1.187 127 R CA 1.160 57.269 56.100 0.014 0.000 1.089 127 R CB -2.873 27.432 30.300 0.009 0.000 1.574 127 R HN 0.576 8.859 8.270 0.023 0.000 0.564 128 K N 0.702 121.117 120.400 0.025 0.000 2.276 128 K HA 0.017 nan 4.320 nan 0.000 0.283 128 K C -0.751 175.859 176.600 0.018 0.000 1.044 128 K CA -0.198 56.102 56.287 0.023 0.000 0.944 128 K CB 0.567 33.089 32.500 0.036 0.000 1.012 128 K HN -0.334 7.881 8.250 0.035 0.056 0.472 129 E N 2.788 122.986 120.200 -0.004 0.000 2.231 129 E HA 0.481 nan 4.350 nan 0.000 0.277 129 E C -0.246 176.319 176.600 -0.058 0.000 0.999 129 E CA -0.800 55.581 56.400 -0.032 0.000 0.827 129 E CB 1.682 31.354 29.700 -0.046 0.000 1.101 129 E HN 0.242 8.598 8.360 -0.006 0.000 0.393 130 G N 1.250 109.981 108.800 -0.115 0.000 2.351 130 G HA2 0.094 nan 3.960 nan 0.000 0.279 130 G HA3 0.094 nan 3.960 nan 0.000 0.279 130 G C -2.717 172.050 174.900 -0.222 0.000 1.297 130 G CA 0.063 45.037 45.100 -0.210 0.000 0.886 130 G HN 0.455 8.685 8.290 -0.100 0.000 0.493 131 Y N -1.795 118.592 120.300 0.144 0.000 2.301 131 Y HA 0.629 nan 4.550 nan 0.000 0.325 131 Y C -1.108 175.051 175.900 0.433 0.000 1.203 131 Y CA 0.561 58.804 58.100 0.238 0.000 1.255 131 Y CB 1.842 40.335 38.460 0.055 0.000 1.232 131 Y HN -0.320 8.081 8.280 0.202 0.000 0.501 132 I N 0.541 121.541 120.570 0.718 0.000 2.582 132 I HA 0.420 nan 4.170 nan 0.000 0.292 132 I C -2.398 173.942 176.117 0.372 0.000 1.066 132 I CA -4.190 57.428 61.300 0.530 0.000 1.053 132 I CB 4.773 42.933 38.000 0.267 0.000 1.241 132 I HN 0.751 9.434 8.210 0.789 0.000 0.421 133 P HA 0.223 nan 4.420 nan 0.000 0.267 133 P C 0.423 177.502 177.300 -0.369 0.000 1.328 133 P CA -0.168 62.607 63.100 -0.541 0.000 0.990 133 P CB -1.194 30.023 31.700 -0.804 0.000 1.168 134 S N 4.041 119.382 115.700 -0.599 0.000 2.440 134 S HA -0.414 nan 4.470 nan 0.000 0.240 134 S C 0.825 175.103 174.600 -0.538 0.000 1.014 134 S CA 3.014 60.664 58.200 -0.916 0.000 0.980 134 S CB -0.589 61.569 63.200 -1.737 0.000 0.775 134 S HN 0.663 8.475 8.310 -0.645 0.110 0.499 135 N N -0.632 117.891 118.700 -0.295 0.000 2.327 135 N HA -0.011 nan 4.740 nan 0.000 0.231 135 N C -0.575 174.908 175.510 -0.045 0.000 1.130 135 N CA 0.043 52.990 53.050 -0.173 0.000 0.845 135 N CB -0.827 37.552 38.487 -0.179 0.000 1.073 135 N HN 0.019 8.178 8.380 -0.300 0.042 0.496 136 Y N -2.025 118.200 120.300 -0.126 0.000 2.557 136 Y HA 0.110 nan 4.550 nan 0.000 0.247 136 Y C -1.753 174.123 175.900 -0.040 0.000 1.164 136 Y CA 0.245 58.393 58.100 0.081 0.000 1.218 136 Y CB 1.368 39.958 38.460 0.217 0.000 1.210 136 Y HN -0.041 8.201 8.280 0.073 0.082 0.529 137 V N -7.348 112.549 119.914 -0.027 0.000 3.182 137 V HA 0.736 nan 4.120 nan 0.000 0.308 137 V C -1.903 174.128 176.094 -0.105 0.000 1.240 137 V CA -2.930 59.303 62.300 -0.111 0.000 1.063 137 V CB 4.259 35.978 31.823 -0.173 0.000 1.076 137 V HN -0.802 7.282 8.190 -0.082 0.057 0.446 138 A N -0.825 121.949 122.820 -0.077 0.000 2.608 138 A HA 0.399 nan 4.320 nan 0.000 0.292 138 A C -2.195 175.379 177.584 -0.017 0.000 1.066 138 A CA -0.624 51.393 52.037 -0.034 0.000 0.676 138 A CB 3.159 22.119 19.000 -0.067 0.000 1.277 138 A HN 0.084 8.180 8.150 -0.089 0.000 0.413 139 R N 1.051 121.562 120.500 0.018 0.000 2.538 139 R HA -0.001 nan 4.340 nan 0.000 0.282 139 R C 0.075 176.357 176.300 -0.030 0.000 1.009 139 R CA 0.505 56.612 56.100 0.011 0.000 1.063 139 R CB 0.679 30.997 30.300 0.029 0.000 0.945 139 R HN 0.379 8.671 8.270 0.036 0.000 0.414 140 V N 8.459 128.353 119.914 -0.032 0.000 2.617 140 V HA -0.278 nan 4.120 nan 0.000 0.304 140 V C 0.011 176.074 176.094 -0.052 0.000 1.040 140 V CA 2.430 64.700 62.300 -0.049 0.000 1.149 140 V CB -0.824 30.977 31.823 -0.038 0.000 0.914 140 V HN 0.028 8.206 8.190 -0.019 0.000 0.487 141 D N 2.573 122.929 120.400 -0.074 0.000 2.880 141 D HA -0.311 nan 4.640 nan 0.000 0.198 141 D C -0.062 176.180 176.300 -0.097 0.000 1.059 141 D CA 1.764 55.715 54.000 -0.082 0.000 1.019 141 D CB -0.307 40.463 40.800 -0.050 0.000 1.112 141 D HN 0.544 8.861 8.370 -0.087 0.000 0.424 142 S N -0.357 115.286 115.700 -0.096 0.000 2.617 142 S HA 0.006 nan 4.470 nan 0.000 0.259 142 S C 1.790 176.260 174.600 -0.217 0.000 1.301 142 S CA 0.148 58.278 58.200 -0.116 0.000 0.984 142 S CB 1.557 64.710 63.200 -0.078 0.000 0.954 142 S HN -0.414 7.786 8.310 -0.081 0.062 0.572 143 L N 2.229 123.257 121.223 -0.325 0.000 2.077 143 L HA -0.454 nan 4.340 nan 0.000 0.231 143 L C 2.470 178.991 176.870 -0.583 0.000 1.100 143 L CA 3.608 58.079 54.840 -0.615 0.000 0.819 143 L CB -1.522 39.823 42.059 -1.191 0.000 0.913 143 L HN 0.454 8.524 8.230 -0.267 0.000 0.446 144 E N -2.830 117.161 120.200 -0.348 0.000 2.187 144 E HA -0.368 nan 4.350 nan 0.000 0.199 144 E C 1.681 178.135 176.600 -0.243 0.000 1.004 144 E CA 2.499 58.816 56.400 -0.138 0.000 0.813 144 E CB -0.558 29.091 29.700 -0.085 0.000 0.736 144 E HN 0.485 8.662 8.360 -0.306 0.000 0.468 145 T N -0.413 113.967 114.554 -0.291 0.000 2.684 145 T HA -0.186 nan 4.350 nan 0.000 0.267 145 T C 0.949 175.411 174.700 -0.396 0.000 1.036 145 T CA 2.863 64.781 62.100 -0.303 0.000 1.148 145 T CB 0.011 68.732 68.868 -0.244 0.000 0.863 145 T HN -0.657 7.384 8.240 -0.274 0.035 0.436 146 E N 1.229 121.074 120.200 -0.590 0.000 2.152 146 E HA 0.114 nan 4.350 nan 0.000 0.285 146 E C 0.973 177.080 176.600 -0.822 0.000 1.043 146 E CA -1.027 54.920 56.400 -0.754 0.000 0.839 146 E CB -0.208 28.839 29.700 -1.088 0.000 1.069 146 E HN -0.629 7.328 8.360 -0.671 0.000 0.399 147 E N 5.229 125.142 120.200 -0.478 0.000 2.641 147 E HA -0.446 nan 4.350 nan 0.000 0.262 147 E C 1.231 177.734 176.600 -0.163 0.000 1.187 147 E CA 3.407 59.633 56.400 -0.290 0.000 1.187 147 E CB -0.444 29.183 29.700 -0.121 0.000 1.002 147 E HN 0.256 8.386 8.360 -0.382 0.000 0.424 148 W N -6.914 114.388 121.300 0.002 0.000 2.996 148 W HA 0.062 nan 4.660 nan 0.000 0.270 148 W C -0.314 176.382 176.519 0.296 0.000 1.280 148 W CA -2.517 54.892 57.345 0.107 0.000 1.549 148 W CB 0.584 30.116 29.460 0.120 0.000 1.079 148 W HN -0.648 7.101 8.180 -0.529 0.114 0.629 149 F N 2.505 122.674 119.950 0.366 0.000 2.396 149 F HA 0.247 nan 4.527 nan 0.000 0.343 149 F C -1.668 174.209 175.800 0.129 0.000 1.104 149 F CA 0.345 58.539 58.000 0.324 0.000 1.161 149 F CB 1.222 40.215 39.000 -0.011 0.000 1.146 149 F HN -0.623 7.743 8.300 0.111 0.000 0.522 150 F N 7.949 127.478 119.950 -0.702 0.000 2.477 150 F HA 0.301 nan 4.527 nan 0.000 0.335 150 F C -0.868 174.531 175.800 -0.668 0.000 1.130 150 F CA -1.181 56.550 58.000 -0.448 0.000 0.948 150 F CB 2.193 41.026 39.000 -0.279 0.000 1.154 150 F HN 0.645 8.631 8.300 -0.523 0.000 0.439 151 K N 5.110 125.369 120.400 -0.234 0.000 1.986 151 K HA -0.124 nan 4.320 nan 0.000 0.215 151 K C 2.370 178.928 176.600 -0.071 0.000 1.033 151 K CA 2.168 58.380 56.287 -0.125 0.000 0.962 151 K CB -0.009 32.536 32.500 0.075 0.000 0.755 151 K HN 0.338 8.506 8.250 -0.137 0.000 0.444 152 G N -2.359 106.429 108.800 -0.020 0.000 3.094 152 G HA2 -0.059 nan 3.960 nan 0.000 0.208 152 G HA3 -0.059 nan 3.960 nan 0.000 0.208 152 G C -0.467 174.422 174.900 -0.019 0.000 1.189 152 G CA -0.305 44.791 45.100 -0.006 0.000 0.856 152 G HN 0.121 8.399 8.290 -0.021 0.000 0.510 153 I N 2.317 122.868 120.570 -0.032 0.000 2.416 153 I HA 0.073 nan 4.170 nan 0.000 0.288 153 I C -0.169 175.919 176.117 -0.048 0.000 1.051 153 I CA -2.365 58.911 61.300 -0.041 0.000 1.375 153 I CB -0.905 37.069 38.000 -0.044 0.000 1.407 153 I HN -0.564 7.541 8.210 -0.050 0.075 0.516 154 S N 7.110 122.782 115.700 -0.048 0.000 2.606 154 S HA 0.014 nan 4.470 nan 0.000 0.257 154 S C 0.911 175.457 174.600 -0.088 0.000 1.327 154 S CA -0.446 57.723 58.200 -0.050 0.000 0.984 154 S CB 1.413 64.591 63.200 -0.035 0.000 0.941 154 S HN 0.233 8.514 8.310 -0.048 0.000 0.576 155 R N 0.344 120.768 120.500 -0.128 0.000 2.119 155 R HA -0.183 nan 4.340 nan 0.000 0.222 155 R C 2.155 178.348 176.300 -0.179 0.000 1.088 155 R CA 2.974 58.925 56.100 -0.249 0.000 0.984 155 R CB 0.066 30.147 30.300 -0.366 0.000 0.884 155 R HN -0.041 8.396 8.270 -0.106 -0.231 0.447 156 K N -1.294 119.049 120.400 -0.094 0.000 2.076 156 K HA -0.177 nan 4.320 nan 0.000 0.204 156 K C 2.047 178.628 176.600 -0.032 0.000 1.051 156 K CA 2.705 58.970 56.287 -0.038 0.000 0.949 156 K CB -0.580 31.908 32.500 -0.019 0.000 0.726 156 K HN -0.247 7.952 8.250 -0.085 0.000 0.443 157 D N -0.297 120.075 120.400 -0.046 0.000 2.133 157 D HA -0.284 nan 4.640 nan 0.000 0.195 157 D C 1.997 178.262 176.300 -0.058 0.000 0.997 157 D CA 3.389 57.358 54.000 -0.051 0.000 0.840 157 D CB -0.391 40.373 40.800 -0.060 0.000 0.947 157 D HN -0.299 8.041 8.370 -0.050 0.000 0.452 158 A N -1.622 121.156 122.820 -0.071 0.000 1.940 158 A HA -0.308 nan 4.320 nan 0.000 0.219 158 A C 2.109 179.667 177.584 -0.044 0.000 1.176 158 A CA 3.122 55.102 52.037 -0.094 0.000 0.631 158 A CB -0.704 18.251 19.000 -0.075 0.000 0.814 158 A HN -0.366 7.739 8.150 -0.075 0.000 0.446 159 E N -1.488 118.726 120.200 0.022 0.000 2.047 159 E HA -0.379 nan 4.350 nan 0.000 0.191 159 E C 2.704 179.285 176.600 -0.032 0.000 0.987 159 E CA 3.064 59.476 56.400 0.019 0.000 0.799 159 E CB -0.247 29.481 29.700 0.047 0.000 0.752 159 E HN -0.410 7.832 8.360 0.023 0.131 0.449 160 R N -1.174 119.306 120.500 -0.034 0.000 2.091 160 R HA -0.384 nan 4.340 nan 0.000 0.238 160 R C 2.896 179.170 176.300 -0.043 0.000 1.136 160 R CA 3.230 59.307 56.100 -0.039 0.000 0.959 160 R CB -0.144 30.137 30.300 -0.031 0.000 0.856 160 R HN -0.329 7.925 8.270 -0.027 0.000 0.437 161 Q N -1.617 118.150 119.800 -0.055 0.000 2.079 161 Q HA -0.247 nan 4.340 nan 0.000 0.200 161 Q C 3.122 179.080 176.000 -0.070 0.000 0.974 161 Q CA 3.008 58.776 55.803 -0.057 0.000 0.840 161 Q CB -0.061 28.630 28.738 -0.078 0.000 0.898 161 Q HN -0.213 8.021 8.270 -0.061 0.000 0.430 162 L N -0.899 120.264 121.223 -0.100 0.000 2.291 162 L HA -0.191 nan 4.340 nan 0.000 0.214 162 L C 1.105 177.941 176.870 -0.057 0.000 1.120 162 L CA 2.332 57.112 54.840 -0.099 0.000 0.799 162 L CB 0.323 42.311 42.059 -0.119 0.000 0.925 162 L HN -0.399 7.768 8.230 -0.104 0.000 0.446 163 L N -3.719 117.475 121.223 -0.050 0.000 2.592 163 L HA -0.000 nan 4.340 nan 0.000 0.227 163 L C -0.236 176.619 176.870 -0.024 0.000 1.127 163 L CA -0.932 53.885 54.840 -0.038 0.000 0.884 163 L CB -0.137 41.893 42.059 -0.049 0.000 1.065 163 L HN -0.621 7.462 8.230 -0.055 0.114 0.457 164 A N 0.407 123.215 122.820 -0.020 0.000 2.483 164 A HA 0.055 nan 4.320 nan 0.000 0.238 164 A C -1.677 175.908 177.584 0.002 0.000 1.070 164 A CA -2.054 49.980 52.037 -0.006 0.000 0.770 164 A CB -0.943 18.056 19.000 -0.002 0.000 1.008 164 A HN -0.596 7.351 8.150 -0.028 0.186 0.497 165 P HA -0.236 nan 4.420 nan 0.000 0.259 165 P C -0.042 177.269 177.300 0.018 0.000 1.163 165 P CA 1.861 64.970 63.100 0.015 0.000 0.760 165 P CB -0.410 31.302 31.700 0.019 0.000 0.762 166 G N 3.388 112.201 108.800 0.020 0.000 2.481 166 G HA2 -0.251 nan 3.960 nan 0.000 0.200 166 G HA3 -0.251 nan 3.960 nan 0.000 0.200 166 G C -0.475 174.440 174.900 0.026 0.000 1.012 166 G CA -0.340 44.774 45.100 0.024 0.000 0.676 166 G HN 0.370 8.672 8.290 0.020 0.000 0.488 167 N N 3.578 122.290 118.700 0.020 0.000 2.525 167 N HA 0.290 nan 4.740 nan 0.000 0.271 167 N C -1.249 174.276 175.510 0.025 0.000 1.194 167 N CA 0.227 53.288 53.050 0.019 0.000 0.964 167 N CB 0.775 39.263 38.487 0.002 0.000 1.126 167 N HN -0.481 7.833 8.380 0.016 0.076 0.452 168 M N -1.666 117.955 119.600 0.035 0.000 2.812 168 M HA 0.427 nan 4.480 nan 0.000 0.285 168 M C -1.313 175.015 176.300 0.047 0.000 1.216 168 M CA -0.840 54.484 55.300 0.039 0.000 0.749 168 M CB 2.714 35.339 32.600 0.041 0.000 1.756 168 M HN 0.083 8.397 8.290 0.040 0.000 0.439 169 L N -0.629 120.622 121.223 0.047 0.000 2.433 169 L HA -0.129 nan 4.340 nan 0.000 0.275 169 L C 0.685 177.589 176.870 0.057 0.000 1.128 169 L CA 1.332 56.202 54.840 0.050 0.000 0.875 169 L CB -1.784 40.301 42.059 0.043 0.000 1.171 169 L HN 0.237 8.492 8.230 0.041 0.000 0.463 170 G N 3.846 112.687 108.800 0.067 0.000 2.253 170 G HA2 -0.344 nan 3.960 nan 0.000 0.209 170 G HA3 -0.344 nan 3.960 nan 0.000 0.209 170 G C 0.488 175.498 174.900 0.183 0.000 0.997 170 G CA -0.300 44.852 45.100 0.088 0.000 0.640 170 G HN 0.017 8.344 8.290 0.061 0.000 0.496 171 S N 4.858 120.647 115.700 0.149 0.000 2.626 171 S HA -0.033 nan 4.470 nan 0.000 0.303 171 S C -1.017 173.677 174.600 0.156 0.000 1.256 171 S CA 2.856 61.139 58.200 0.139 0.000 1.069 171 S CB 0.032 63.255 63.200 0.039 0.000 0.807 171 S HN -0.145 8.048 8.310 0.099 0.177 0.500 172 F N -0.025 119.907 119.950 -0.030 0.000 2.790 172 F HA 1.042 nan 4.527 nan 0.000 0.337 172 F C -2.703 173.041 175.800 -0.094 0.000 1.163 172 F CA -2.559 55.399 58.000 -0.071 0.000 0.997 172 F CB 3.260 42.216 39.000 -0.074 0.000 1.437 172 F HN 0.224 8.379 8.300 -0.241 0.000 0.512 173 M N -5.181 114.305 119.600 -0.191 0.000 2.471 173 M HA 0.556 nan 4.480 nan 0.000 0.284 173 M C -2.330 173.969 176.300 -0.002 0.000 1.203 173 M CA -0.124 54.981 55.300 -0.326 0.000 0.915 173 M CB 4.421 36.500 32.600 -0.868 0.000 1.734 173 M HN 0.236 8.585 8.290 0.099 0.000 0.485 174 I N 1.614 122.274 120.570 0.150 0.000 2.525 174 I HA 0.836 nan 4.170 nan 0.000 0.301 174 I C -1.486 174.614 176.117 -0.027 0.000 0.992 174 I CA -1.161 60.221 61.300 0.137 0.000 1.162 174 I CB 2.099 40.230 38.000 0.218 0.000 1.332 174 I HN 0.929 9.319 8.210 0.300 0.000 0.458 175 R N 1.040 121.479 120.500 -0.102 0.000 2.741 175 R HA 0.495 nan 4.340 nan 0.000 0.274 175 R C -1.790 174.488 176.300 -0.036 0.000 1.029 175 R CA -1.478 54.434 56.100 -0.313 0.000 0.880 175 R CB 2.365 32.550 30.300 -0.191 0.000 1.264 175 R HN 0.628 8.918 8.270 0.033 0.000 0.465 176 D N 0.475 120.875 120.400 0.000 0.000 2.455 176 D HA -0.026 nan 4.640 nan 0.000 0.241 176 D C -0.009 176.400 176.300 0.182 0.000 1.138 176 D CA 1.137 55.312 54.000 0.291 0.000 0.877 176 D CB -0.046 40.888 40.800 0.224 0.000 1.187 176 D HN -0.051 8.211 8.370 -0.181 0.000 0.451 177 S N 3.364 119.181 115.700 0.196 0.000 2.465 177 S HA -0.045 nan 4.470 nan 0.000 0.280 177 S C 0.964 175.594 174.600 0.051 0.000 1.232 177 S CA 0.613 58.862 58.200 0.082 0.000 1.066 177 S CB 0.445 63.677 63.200 0.054 0.000 0.929 177 S HN 0.106 8.578 8.310 0.270 0.000 0.494 178 E N 5.195 125.404 120.200 0.015 0.000 2.268 178 E HA -0.245 nan 4.350 nan 0.000 0.195 178 E C 0.583 177.190 176.600 0.011 0.000 0.995 178 E CA 2.619 59.027 56.400 0.013 0.000 0.836 178 E CB -0.257 29.438 29.700 -0.009 0.000 0.763 178 E HN 0.521 8.877 8.360 -0.007 0.000 0.491 179 T N -3.440 111.114 114.554 0.000 0.000 3.004 179 T HA 0.069 nan 4.350 nan 0.000 0.243 179 T C 0.359 175.062 174.700 0.006 0.000 1.020 179 T CA 1.316 63.416 62.100 0.000 0.000 1.145 179 T CB -0.152 68.708 68.868 -0.013 0.000 0.876 179 T HN 0.021 8.231 8.240 -0.006 0.026 0.449 180 T N 1.771 116.328 114.554 0.004 0.000 2.891 180 T HA 0.271 nan 4.350 nan 0.000 0.315 180 T C -0.313 174.390 174.700 0.005 0.000 1.054 180 T CA -1.446 60.656 62.100 0.003 0.000 0.958 180 T CB -0.768 68.098 68.868 -0.003 0.000 1.008 180 T HN -0.152 8.089 8.240 0.002 0.000 0.521 181 K N 5.997 126.404 120.400 0.012 0.000 2.230 181 K HA -0.060 nan 4.320 nan 0.000 0.253 181 K C 2.070 178.666 176.600 -0.006 0.000 1.008 181 K CA -0.287 56.012 56.287 0.020 0.000 0.910 181 K CB 0.135 32.654 32.500 0.031 0.000 0.994 181 K HN 0.271 8.529 8.250 0.013 0.000 0.495 182 G N 0.645 109.442 108.800 -0.004 0.000 2.196 182 G HA2 -0.372 nan 3.960 nan 0.000 0.268 182 G HA3 -0.372 nan 3.960 nan 0.000 0.268 182 G C -0.601 174.144 174.900 -0.258 0.000 0.975 182 G CA 1.145 46.205 45.100 -0.066 0.000 0.648 182 G HN 0.671 8.986 8.290 0.042 0.000 0.538 183 S N 0.120 115.656 115.700 -0.272 0.000 2.745 183 S HA 0.623 nan 4.470 nan 0.000 0.306 183 S C -1.852 172.533 174.600 -0.359 0.000 1.137 183 S CA -1.198 56.765 58.200 -0.394 0.000 0.900 183 S CB 2.639 65.762 63.200 -0.129 0.000 1.176 183 S HN -0.836 7.333 8.310 -0.130 0.063 0.520 184 Y N -1.054 119.319 120.300 0.122 0.000 2.524 184 Y HA 0.626 nan 4.550 nan 0.000 0.344 184 Y C -0.952 174.991 175.900 0.071 0.000 1.012 184 Y CA -1.742 56.429 58.100 0.118 0.000 1.068 184 Y CB 2.794 41.348 38.460 0.157 0.000 1.249 184 Y HN -0.277 8.001 8.280 -0.003 0.000 0.468 185 S N -0.850 114.982 115.700 0.220 0.000 2.677 185 S HA 0.806 nan 4.470 nan 0.000 0.304 185 S C -2.392 172.282 174.600 0.124 0.000 1.108 185 S CA -1.474 56.806 58.200 0.134 0.000 0.944 185 S CB 2.916 66.164 63.200 0.079 0.000 1.127 185 S HN 0.716 9.164 8.310 0.230 0.000 0.511 186 L N 0.635 121.937 121.223 0.133 0.000 2.381 186 L HA 0.744 nan 4.340 nan 0.000 0.274 186 L C -2.247 174.725 176.870 0.170 0.000 0.988 186 L CA -1.048 53.866 54.840 0.123 0.000 0.824 186 L CB 3.319 45.413 42.059 0.057 0.000 1.263 186 L HN 0.543 8.867 8.230 0.156 0.000 0.410 187 S N 6.680 122.457 115.700 0.129 0.000 2.549 187 S HA 0.770 nan 4.470 nan 0.000 0.297 187 S C -1.714 172.910 174.600 0.041 0.000 1.115 187 S CA -0.533 57.720 58.200 0.088 0.000 1.059 187 S CB 1.798 65.059 63.200 0.102 0.000 1.046 187 S HN 0.610 8.972 8.310 0.086 0.000 0.506 188 V N 0.519 120.423 119.914 -0.017 0.000 2.888 188 V HA 0.591 nan 4.120 nan 0.000 0.309 188 V C -1.781 174.303 176.094 -0.018 0.000 1.114 188 V CA -1.491 60.835 62.300 0.042 0.000 0.940 188 V CB 3.454 35.314 31.823 0.062 0.000 1.021 188 V HN 0.851 8.964 8.190 -0.129 0.000 0.426 189 R N 2.573 123.078 120.500 0.007 0.000 2.459 189 R HA 0.572 nan 4.340 nan 0.000 0.281 189 R C -1.651 174.658 176.300 0.014 0.000 1.050 189 R CA -0.290 55.804 56.100 -0.010 0.000 1.055 189 R CB 1.903 32.205 30.300 0.003 0.000 1.045 189 R HN 0.121 8.420 8.270 0.047 0.000 0.495 190 D N 2.637 123.044 120.400 0.013 0.000 2.768 190 D HA 0.157 nan 4.640 nan 0.000 0.327 190 D C -2.723 173.629 176.300 0.088 0.000 1.302 190 D CA -0.779 53.249 54.000 0.047 0.000 0.897 190 D CB 3.910 44.725 40.800 0.025 0.000 1.420 190 D HN 0.160 8.523 8.370 -0.011 0.000 0.494 191 Y N -1.761 118.530 120.300 -0.016 0.000 2.442 191 Y HA 0.302 nan 4.550 nan 0.000 0.330 191 Y C -2.257 173.637 175.900 -0.011 0.000 1.100 191 Y CA -0.568 57.522 58.100 -0.016 0.000 1.034 191 Y CB 2.866 41.318 38.460 -0.013 0.000 1.285 191 Y HN 0.120 8.502 8.280 0.169 0.000 0.440 192 D N 6.491 126.965 120.400 0.123 0.000 2.736 192 D HA 0.447 nan 4.640 nan 0.000 0.243 192 D C -2.118 174.238 176.300 0.095 0.000 1.304 192 D CA -1.578 52.505 54.000 0.138 0.000 0.934 192 D CB 1.845 42.666 40.800 0.036 0.000 1.382 192 D HN 0.236 8.473 8.370 -0.221 0.000 0.571 193 P HA -0.250 nan 4.420 nan 0.000 0.217 193 P C 1.087 178.474 177.300 0.145 0.000 1.148 193 P CA 2.172 65.448 63.100 0.293 0.000 0.834 193 P CB 0.401 32.207 31.700 0.177 0.000 0.783 194 R N -3.492 117.034 120.500 0.043 0.000 2.235 194 R HA -0.017 nan 4.340 nan 0.000 0.213 194 R C 0.398 176.665 176.300 -0.055 0.000 1.059 194 R CA 0.888 56.992 56.100 0.007 0.000 0.997 194 R CB -0.643 29.661 30.300 0.007 0.000 0.884 194 R HN 0.097 8.340 8.270 0.038 0.049 0.462 195 Q N -1.521 118.183 119.800 -0.160 0.000 2.458 195 Q HA 0.233 nan 4.340 nan 0.000 0.282 195 Q C -0.948 174.719 176.000 -0.554 0.000 1.106 195 Q CA -1.676 53.978 55.803 -0.249 0.000 0.814 195 Q CB 2.613 31.236 28.738 -0.191 0.000 1.425 195 Q HN -0.202 7.919 8.270 -0.182 0.039 0.437 196 G N -0.341 108.174 108.800 -0.474 0.000 2.519 196 G HA2 -0.196 nan 3.960 nan 0.000 0.161 196 G HA3 -0.196 nan 3.960 nan 0.000 0.161 196 G C -1.067 173.440 174.900 -0.654 0.000 1.671 196 G CA -0.094 44.679 45.100 -0.546 0.000 1.028 196 G HN 0.186 8.287 8.290 -0.315 0.000 0.486 197 D N -0.741 119.505 120.400 -0.256 0.000 2.313 197 D HA 0.182 nan 4.640 nan 0.000 0.247 197 D C -0.336 175.869 176.300 -0.159 0.000 1.094 197 D CA 1.111 55.035 54.000 -0.128 0.000 0.925 197 D CB 1.109 41.899 40.800 -0.016 0.000 1.188 197 D HN -0.205 8.066 8.370 -0.165 0.000 0.430 198 T N -2.671 111.811 114.554 -0.119 0.000 2.906 198 T HA 0.346 nan 4.350 nan 0.000 0.295 198 T C -1.806 172.827 174.700 -0.112 0.000 1.061 198 T CA -1.914 60.111 62.100 -0.125 0.000 1.000 198 T CB 3.312 72.106 68.868 -0.124 0.000 1.103 198 T HN 0.459 8.566 8.240 -0.071 0.091 0.486 199 V N 1.621 121.448 119.914 -0.146 0.000 2.448 199 V HA 0.543 nan 4.120 nan 0.000 0.295 199 V C -0.884 174.985 176.094 -0.376 0.000 1.025 199 V CA -1.118 61.053 62.300 -0.216 0.000 0.859 199 V CB 1.108 32.814 31.823 -0.196 0.000 0.988 199 V HN 0.268 8.376 8.190 -0.137 0.000 0.431 200 K N 5.392 125.570 120.400 -0.370 0.000 2.203 200 K HA 0.540 nan 4.320 nan 0.000 0.251 200 K C -1.343 174.918 176.600 -0.566 0.000 0.944 200 K CA -1.887 54.141 56.287 -0.432 0.000 0.829 200 K CB 3.062 35.428 32.500 -0.223 0.000 1.125 200 K HN 0.697 8.805 8.250 -0.237 0.000 0.430 201 H N 0.980 119.889 119.070 -0.269 0.000 2.489 201 H HA 0.600 nan 4.556 nan 0.000 0.343 201 H C -1.156 173.908 175.328 -0.440 0.000 1.086 201 H CA -1.399 54.519 56.048 -0.218 0.000 1.198 201 H CB 2.524 32.203 29.762 -0.140 0.000 1.490 201 H HN 0.577 8.618 8.280 -0.398 0.000 0.504 202 Y N 1.361 121.687 120.300 0.043 0.000 2.409 202 Y HA 0.178 nan 4.550 nan 0.000 0.339 202 Y C -1.525 174.377 175.900 0.004 0.000 1.033 202 Y CA -1.363 56.730 58.100 -0.012 0.000 1.094 202 Y CB 2.889 41.297 38.460 -0.086 0.000 1.210 202 Y HN 0.985 9.296 8.280 0.226 0.105 0.456 203 K N 2.378 122.844 120.400 0.110 0.000 2.201 203 K HA 0.508 nan 4.320 nan 0.000 0.278 203 K C -0.682 175.943 176.600 0.043 0.000 1.027 203 K CA -0.637 55.682 56.287 0.053 0.000 0.909 203 K CB 1.125 33.632 32.500 0.012 0.000 1.062 203 K HN 0.352 8.681 8.250 0.131 0.000 0.465 204 I N 7.319 127.913 120.570 0.039 0.000 2.355 204 I HA 0.112 nan 4.170 nan 0.000 0.288 204 I C -1.492 174.605 176.117 -0.034 0.000 0.999 204 I CA -0.978 60.335 61.300 0.022 0.000 1.163 204 I CB 1.327 39.395 38.000 0.114 0.000 1.316 204 I HN 0.203 8.449 8.210 0.061 0.000 0.454 205 R N 8.086 128.452 120.500 -0.225 0.000 2.428 205 R HA 0.377 nan 4.340 nan 0.000 0.294 205 R C -1.525 174.750 176.300 -0.041 0.000 1.000 205 R CA -1.518 54.451 56.100 -0.218 0.000 0.960 205 R CB 2.593 32.624 30.300 -0.448 0.000 1.076 205 R HN 0.667 8.688 8.270 -0.415 0.000 0.475 206 T N 0.703 115.302 114.554 0.075 0.000 2.842 206 T HA 0.523 nan 4.350 nan 0.000 0.308 206 T C -0.957 173.798 174.700 0.092 0.000 1.041 206 T CA -1.186 60.996 62.100 0.136 0.000 0.964 206 T CB -0.107 68.838 68.868 0.130 0.000 0.972 206 T HN 0.224 8.484 8.240 0.033 0.000 0.460 207 L N 5.007 126.283 121.223 0.088 0.000 2.397 207 L HA 0.654 nan 4.340 nan 0.000 0.266 207 L C 0.447 177.315 176.870 -0.002 0.000 1.040 207 L CA -1.777 53.094 54.840 0.051 0.000 0.800 207 L CB 2.046 44.144 42.059 0.065 0.000 1.324 207 L HN 0.121 8.407 8.230 0.093 0.000 0.469 208 D N 0.671 121.068 120.400 -0.004 0.000 2.403 208 D HA -0.235 nan 4.640 nan 0.000 0.227 208 D C 0.423 176.702 176.300 -0.036 0.000 0.995 208 D CA 2.309 56.300 54.000 -0.016 0.000 0.928 208 D CB 0.108 40.904 40.800 -0.007 0.000 0.887 208 D HN 0.463 8.837 8.370 0.006 0.000 0.529 209 N N -1.796 116.871 118.700 -0.054 0.000 2.550 209 N HA -0.089 nan 4.740 nan 0.000 0.186 209 N C 0.911 176.355 175.510 -0.109 0.000 1.110 209 N CA -0.028 52.978 53.050 -0.072 0.000 0.912 209 N CB -0.757 37.682 38.487 -0.079 0.000 0.968 209 N HN 0.137 8.410 8.380 -0.047 0.079 0.448 210 G N -0.875 107.839 108.800 -0.144 0.000 2.198 210 G HA2 -0.322 nan 3.960 nan 0.000 0.257 210 G HA3 -0.322 nan 3.960 nan 0.000 0.257 210 G C -0.797 173.784 174.900 -0.531 0.000 1.042 210 G CA 0.266 45.234 45.100 -0.220 0.000 0.791 210 G HN -0.413 7.722 8.290 -0.114 0.087 0.502 211 G N -1.788 106.708 108.800 -0.506 0.000 2.495 211 G HA2 0.625 nan 3.960 nan 0.000 0.318 211 G HA3 0.625 nan 3.960 nan 0.000 0.318 211 G C -2.568 172.071 174.900 -0.435 0.000 1.257 211 G CA -1.170 43.599 45.100 -0.552 0.000 0.962 211 G HN -0.838 7.258 8.290 -0.310 0.008 0.483 212 F N -0.591 119.530 119.950 0.285 0.000 2.576 212 F HA 1.041 nan 4.527 nan 0.000 0.313 212 F C -1.949 174.111 175.800 0.434 0.000 1.078 212 F CA -2.855 55.327 58.000 0.303 0.000 0.921 212 F CB 3.163 42.317 39.000 0.256 0.000 1.232 212 F HN 0.208 8.442 8.300 -0.111 0.000 0.459 213 Y N -3.842 116.687 120.300 0.381 0.000 2.624 213 Y HA 0.549 nan 4.550 nan 0.000 0.334 213 Y C -2.089 173.969 175.900 0.262 0.000 1.155 213 Y CA -1.225 57.072 58.100 0.328 0.000 1.046 213 Y CB 2.322 40.884 38.460 0.170 0.000 1.316 213 Y HN 0.778 9.138 8.280 0.133 0.000 0.457 214 I N -4.891 115.824 120.570 0.241 0.000 3.718 214 I HA 0.346 nan 4.170 nan 0.000 0.297 214 I C -0.539 175.716 176.117 0.230 0.000 1.220 214 I CA 0.347 61.698 61.300 0.084 0.000 1.381 214 I CB 1.513 39.543 38.000 0.049 0.000 1.238 214 I HN 0.437 8.919 8.210 0.454 0.000 0.448 215 S N 0.770 116.690 115.700 0.367 0.000 2.525 215 S HA 0.444 nan 4.470 nan 0.000 0.290 215 S C -1.582 173.245 174.600 0.377 0.000 1.152 215 S CA -1.907 56.484 58.200 0.320 0.000 1.072 215 S CB 1.471 64.820 63.200 0.247 0.000 1.027 215 S HN -0.368 8.194 8.310 0.419 0.000 0.500 216 P HA 0.097 nan 4.420 nan 0.000 0.245 216 P C -0.712 176.538 177.300 -0.082 0.000 1.206 216 P CA 0.715 63.770 63.100 -0.075 0.000 0.781 216 P CB 0.081 31.701 31.700 -0.132 0.000 0.994 217 R N -4.231 116.271 120.500 0.004 0.000 2.357 217 R HA -0.066 nan 4.340 nan 0.000 0.202 217 R C -0.386 175.876 176.300 -0.062 0.000 1.047 217 R CA 1.041 57.127 56.100 -0.023 0.000 1.034 217 R CB -0.324 29.987 30.300 0.018 0.000 0.875 217 R HN 0.281 8.549 8.270 0.063 0.040 0.473 218 S N -1.138 114.514 115.700 -0.080 0.000 2.562 218 S HA 0.185 nan 4.470 nan 0.000 0.274 218 S C -2.409 171.966 174.600 -0.374 0.000 1.160 218 S CA -0.100 57.965 58.200 -0.226 0.000 0.933 218 S CB 2.985 66.156 63.200 -0.048 0.000 1.100 218 S HN -0.787 7.407 8.310 -0.038 0.093 0.468 219 T N 2.805 116.928 114.554 -0.719 0.000 2.868 219 T HA 0.612 nan 4.350 nan 0.000 0.306 219 T C -1.699 172.485 174.700 -0.861 0.000 1.224 219 T CA -0.405 61.365 62.100 -0.551 0.000 1.012 219 T CB 2.531 71.245 68.868 -0.256 0.000 1.221 219 T HN -0.138 7.630 8.240 -0.787 0.000 0.499 220 F N -0.457 119.602 119.950 0.181 0.000 2.692 220 F HA 0.509 nan 4.527 nan 0.000 0.320 220 F C -0.475 175.424 175.800 0.166 0.000 1.123 220 F CA -1.772 56.338 58.000 0.184 0.000 0.961 220 F CB 3.353 42.508 39.000 0.260 0.000 1.383 220 F HN -0.035 8.418 8.300 0.255 0.000 0.483 221 S N -1.743 114.182 115.700 0.376 0.000 2.619 221 S HA 0.052 nan 4.470 nan 0.000 0.238 221 S C -0.323 174.609 174.600 0.555 0.000 1.068 221 S CA 0.761 59.112 58.200 0.251 0.000 0.926 221 S CB 0.837 64.085 63.200 0.080 0.000 0.864 221 S HN 0.180 8.707 8.310 0.361 0.000 0.493 222 T N 4.297 119.110 114.554 0.432 0.000 3.859 222 T HA 0.035 nan 4.350 nan 0.000 0.251 222 T C 0.617 175.485 174.700 0.281 0.000 1.079 222 T CA -0.236 62.050 62.100 0.309 0.000 1.151 222 T CB -1.952 67.052 68.868 0.226 0.000 1.173 222 T HN 0.017 8.493 8.240 0.393 0.000 0.885 223 L N 4.548 125.936 121.223 0.274 0.000 2.081 223 L HA -0.485 nan 4.340 nan 0.000 0.212 223 L C 0.886 177.718 176.870 -0.064 0.000 1.080 223 L CA 3.307 58.130 54.840 -0.029 0.000 0.754 223 L CB 0.025 41.944 42.059 -0.234 0.000 0.893 223 L HN -0.339 8.099 8.230 0.392 0.028 0.433 224 Q N -1.607 118.274 119.800 0.135 0.000 2.135 224 Q HA -0.419 nan 4.340 nan 0.000 0.204 224 Q C 1.784 177.744 176.000 -0.066 0.000 0.981 224 Q CA 3.170 59.082 55.803 0.183 0.000 0.856 224 Q CB -0.540 28.392 28.738 0.324 0.000 0.902 224 Q HN 0.053 8.445 8.270 0.205 0.000 0.425 225 E N -1.673 118.474 120.200 -0.090 0.000 2.153 225 E HA -0.249 nan 4.350 nan 0.000 0.194 225 E C 1.942 178.199 176.600 -0.572 0.000 0.988 225 E CA 2.432 58.706 56.400 -0.210 0.000 0.811 225 E CB -1.037 28.614 29.700 -0.081 0.000 0.746 225 E HN -0.132 8.092 8.360 -0.005 0.132 0.466 226 L N -1.394 119.339 121.223 -0.817 0.000 1.989 226 L HA -0.338 nan 4.340 nan 0.000 0.211 226 L C 1.833 178.506 176.870 -0.328 0.000 1.071 226 L CA 3.225 57.525 54.840 -0.901 0.000 0.749 226 L CB 0.213 42.008 42.059 -0.440 0.000 0.890 226 L HN -0.626 7.148 8.230 -0.560 0.121 0.431 227 V N -3.552 116.132 119.914 -0.384 0.000 2.270 227 V HA -0.439 nan 4.120 nan 0.000 0.245 227 V C 1.940 177.866 176.094 -0.278 0.000 1.043 227 V CA 3.644 65.701 62.300 -0.406 0.000 1.014 227 V CB -0.946 30.470 31.823 -0.678 0.000 0.645 227 V HN -0.503 7.311 8.190 -0.444 0.110 0.447 228 D N -0.404 119.878 120.400 -0.197 0.000 2.182 228 D HA -0.374 nan 4.640 nan 0.000 0.201 228 D C 1.721 177.973 176.300 -0.080 0.000 0.986 228 D CA 3.808 57.748 54.000 -0.099 0.000 0.847 228 D CB -0.481 40.299 40.800 -0.034 0.000 0.942 228 D HN -0.214 8.029 8.370 -0.211 0.000 0.467 229 H N 1.040 119.960 119.070 -0.250 0.000 2.267 229 H HA -0.373 nan 4.556 nan 0.000 0.297 229 H C 2.211 177.363 175.328 -0.293 0.000 1.080 229 H CA 3.437 59.306 56.048 -0.300 0.000 1.278 229 H CB 0.484 29.971 29.762 -0.458 0.000 1.365 229 H HN -0.316 7.865 8.280 -0.124 0.025 0.489 230 Y N -3.528 116.511 120.300 -0.435 0.000 2.639 230 Y HA -0.164 nan 4.550 nan 0.000 0.297 230 Y C 1.501 177.201 175.900 -0.332 0.000 1.151 230 Y CA 2.101 59.911 58.100 -0.482 0.000 1.335 230 Y CB -1.011 37.134 38.460 -0.524 0.000 0.994 230 Y HN -0.261 7.861 8.280 -0.265 0.000 0.548 231 K N -0.957 119.349 120.400 -0.157 0.000 2.217 231 K HA -0.218 nan 4.320 nan 0.000 0.202 231 K C 0.972 177.533 176.600 -0.066 0.000 1.051 231 K CA 2.535 58.749 56.287 -0.122 0.000 0.952 231 K CB -0.202 32.244 32.500 -0.089 0.000 0.736 231 K HN -0.520 7.453 8.250 -0.160 0.181 0.453 232 K N -4.535 115.829 120.400 -0.060 0.000 2.370 232 K HA 0.144 nan 4.320 nan 0.000 0.194 232 K C 0.366 176.943 176.600 -0.038 0.000 1.070 232 K CA -0.614 55.654 56.287 -0.031 0.000 0.998 232 K CB 1.791 34.286 32.500 -0.007 0.000 0.911 232 K HN -0.500 7.678 8.250 -0.077 0.026 0.533 233 G N -0.632 108.117 108.800 -0.085 0.000 2.675 233 G HA2 0.252 nan 3.960 nan 0.000 0.297 233 G HA3 0.252 nan 3.960 nan 0.000 0.297 233 G C -1.869 172.975 174.900 -0.093 0.000 1.399 233 G CA -0.291 44.756 45.100 -0.088 0.000 0.981 233 G HN -0.109 8.014 8.290 -0.136 0.085 0.519 234 N N 5.317 123.996 118.700 -0.036 0.000 3.193 234 N HA -0.091 nan 4.740 nan 0.000 0.312 234 N C -1.122 174.394 175.510 0.010 0.000 1.261 234 N CA -0.670 52.371 53.050 -0.016 0.000 1.208 234 N CB -0.890 37.584 38.487 -0.021 0.000 1.471 234 N HN 0.514 8.877 8.380 -0.029 0.000 0.548 235 D N 2.793 123.225 120.400 0.054 0.000 2.541 235 D HA -0.157 nan 4.640 nan 0.000 0.231 235 D C 0.383 176.736 176.300 0.088 0.000 1.163 235 D CA -0.449 53.600 54.000 0.082 0.000 1.077 235 D CB -0.853 39.996 40.800 0.081 0.000 1.110 235 D HN -0.337 8.035 8.370 0.091 0.052 0.499 236 G N 3.310 112.134 108.800 0.041 0.000 2.304 236 G HA2 -0.384 nan 3.960 nan 0.000 0.252 236 G HA3 -0.384 nan 3.960 nan 0.000 0.252 236 G C -0.890 174.006 174.900 -0.006 0.000 1.014 236 G CA 0.276 45.397 45.100 0.035 0.000 0.619 236 G HN 0.101 8.366 8.290 0.031 0.043 0.525 237 L N -0.972 120.183 121.223 -0.112 0.000 2.483 237 L HA -0.089 nan 4.340 nan 0.000 0.275 237 L C 1.831 178.665 176.870 -0.060 0.000 1.220 237 L CA -0.206 54.479 54.840 -0.259 0.000 0.833 237 L CB 0.195 41.986 42.059 -0.448 0.000 1.102 237 L HN -0.622 7.423 8.230 -0.084 0.135 0.490 238 C N 0.201 119.521 119.300 0.034 0.000 2.425 238 C HA -0.152 nan 4.460 nan 0.000 0.277 238 C C 0.318 175.317 174.990 0.015 0.000 1.280 238 C CA 0.656 59.711 59.018 0.062 0.000 1.744 238 C CB -0.077 27.731 27.740 0.114 0.000 1.989 238 C HN 0.491 8.799 8.230 0.131 0.000 0.491 239 Q N -1.690 118.096 119.800 -0.024 0.000 2.456 239 Q HA 0.140 nan 4.340 nan 0.000 0.284 239 Q C -1.625 174.335 176.000 -0.066 0.000 1.061 239 Q CA -1.209 54.578 55.803 -0.028 0.000 0.799 239 Q CB 2.923 31.660 28.738 -0.002 0.000 1.445 239 Q HN -0.416 7.787 8.270 -0.065 0.028 0.411 240 K N 1.688 122.060 120.400 -0.046 0.000 2.292 240 K HA -0.006 nan 4.320 nan 0.000 0.290 240 K C -0.237 176.316 176.600 -0.079 0.000 1.083 240 K CA -0.301 55.950 56.287 -0.060 0.000 0.918 240 K CB -0.144 32.337 32.500 -0.032 0.000 1.089 240 K HN 0.152 8.388 8.250 -0.024 0.000 0.473 241 L N 9.148 130.269 121.223 -0.170 0.000 2.559 241 L HA -0.231 nan 4.340 nan 0.000 0.274 241 L C -0.884 175.921 176.870 -0.108 0.000 1.205 241 L CA 1.310 55.984 54.840 -0.278 0.000 0.907 241 L CB -0.449 41.153 42.059 -0.762 0.000 1.153 241 L HN -0.086 8.034 8.230 -0.185 0.000 0.490 242 S N 2.904 118.669 115.700 0.108 0.000 3.200 242 S HA 0.132 nan 4.470 nan 0.000 0.173 242 S C -0.879 173.933 174.600 0.352 0.000 0.768 242 S CA -0.377 57.924 58.200 0.169 0.000 1.018 242 S CB 2.273 65.545 63.200 0.120 0.000 0.769 242 S HN 0.038 8.356 8.310 0.209 0.117 0.736 243 V N -4.351 115.740 119.914 0.295 0.000 2.837 243 V HA 0.598 nan 4.120 nan 0.000 0.310 243 V C -1.956 174.189 176.094 0.085 0.000 1.059 243 V CA -4.136 58.312 62.300 0.247 0.000 1.004 243 V CB -0.649 31.252 31.823 0.129 0.000 1.045 243 V HN -0.057 8.276 8.190 0.238 0.000 0.465 244 P HA -0.123 nan 4.420 nan 0.000 0.269 244 P C -0.784 176.434 177.300 -0.137 0.000 1.200 244 P CA 0.415 63.316 63.100 -0.331 0.000 0.779 244 P CB 0.421 32.106 31.700 -0.024 0.000 0.841 245 C N 0.120 119.369 119.300 -0.086 0.000 2.656 245 C HA 0.005 nan 4.460 nan 0.000 0.391 245 C C -0.039 175.060 174.990 0.182 0.000 1.300 245 C CA -0.695 58.321 59.018 -0.002 0.000 2.302 245 C CB 0.449 28.045 27.740 -0.240 0.000 2.655 245 C HN -0.117 8.053 8.230 -0.100 0.000 0.656 246 M N 4.012 123.681 119.600 0.115 0.000 2.252 246 M HA -0.140 nan 4.480 nan 0.000 0.348 246 M C -0.599 175.804 176.300 0.172 0.000 1.334 246 M CA 0.300 55.669 55.300 0.114 0.000 1.071 246 M CB 0.323 32.963 32.600 0.067 0.000 1.763 246 M HN -0.067 8.528 8.290 0.058 -0.271 0.452 247 S N 3.857 119.618 115.700 0.102 0.000 2.513 247 S HA 0.081 nan 4.470 nan 0.000 0.276 247 S C -0.630 174.003 174.600 0.055 0.000 1.254 247 S CA -0.030 58.207 58.200 0.062 0.000 1.053 247 S CB 0.388 63.611 63.200 0.037 0.000 0.958 247 S HN 0.130 8.486 8.310 0.077 0.000 0.491 248 S N 4.551 120.255 115.700 0.007 0.000 2.433 248 S HA 0.108 nan 4.470 nan 0.000 0.310 248 S C -0.843 173.618 174.600 -0.233 0.000 1.097 248 S CA -0.427 57.733 58.200 -0.067 0.000 1.103 248 S CB 1.045 64.217 63.200 -0.047 0.000 0.992 248 S HN 0.182 8.506 8.310 0.022 0.000 0.469 249 K N 5.015 125.219 120.400 -0.326 0.000 2.451 249 K HA 0.146 nan 4.320 nan 0.000 0.280 249 K C -2.116 174.138 176.600 -0.576 0.000 1.020 249 K CA -0.885 54.984 56.287 -0.697 0.000 1.008 249 K CB -0.161 32.090 32.500 -0.415 0.000 0.917 249 K HN 0.229 8.365 8.250 -0.190 0.000 0.478 250 P HA -0.009 nan 4.420 nan 0.000 0.270 250 P C -1.939 175.213 177.300 -0.246 0.000 1.223 250 P CA -0.249 62.543 63.100 -0.514 0.000 0.785 250 P CB 0.726 32.014 31.700 -0.686 0.000 0.923 251 Q N 1.067 120.803 119.800 -0.108 0.000 2.293 251 Q HA -0.023 nan 4.340 nan 0.000 0.251 251 Q C -0.670 175.384 176.000 0.091 0.000 0.930 251 Q CA -0.281 55.533 55.803 0.019 0.000 0.893 251 Q CB 1.139 29.894 28.738 0.028 0.000 1.215 251 Q HN 0.082 8.275 8.270 -0.129 0.000 0.425 252 K N 5.544 126.052 120.400 0.179 0.000 2.412 252 K HA 0.133 nan 4.320 nan 0.000 0.281 252 K C -1.339 175.339 176.600 0.132 0.000 1.027 252 K CA -1.304 55.097 56.287 0.190 0.000 0.989 252 K CB -0.873 31.801 32.500 0.291 0.000 0.935 252 K HN 0.251 8.608 8.250 0.179 0.000 0.475 253 P HA -0.001 nan 4.420 nan 0.000 0.274 253 P C -1.098 176.376 177.300 0.290 0.000 1.256 253 P CA -0.786 62.320 63.100 0.011 0.000 0.795 253 P CB 0.857 32.349 31.700 -0.346 0.000 1.038 254 W N -0.212 121.109 121.300 0.035 0.000 2.150 254 W HA -0.018 nan 4.660 nan 0.000 0.341 254 W C -0.518 176.114 176.519 0.188 0.000 1.276 254 W CA -1.001 56.332 57.345 -0.019 0.000 1.238 254 W CB 1.546 30.934 29.460 -0.120 0.000 1.128 254 W HN 0.114 8.508 8.180 0.357 0.000 0.581 258 D N -0.881 119.537 120.400 0.030 0.000 3.090 258 D HA -0.328 nan 4.640 nan 0.000 0.215 258 D C -0.744 175.641 176.300 0.141 0.000 1.140 258 D CA 0.985 55.041 54.000 0.094 0.000 0.937 258 D CB -1.148 39.676 40.800 0.040 0.000 1.108 258 D HN 0.478 8.916 8.370 0.114 0.000 0.420 259 A N -0.424 122.468 122.820 0.120 0.000 3.078 259 A HA 0.229 nan 4.320 nan 0.000 0.279 259 A C -0.628 177.209 177.584 0.421 0.000 1.594 259 A CA -1.137 50.983 52.037 0.139 0.000 1.301 259 A CB -1.065 17.842 19.000 -0.155 0.000 1.162 259 A HN -0.160 7.980 8.150 0.053 0.042 0.585 260 W N 1.542 122.953 121.300 0.186 0.000 2.580 260 W HA 0.005 nan 4.660 nan 0.000 0.287 260 W C -1.789 174.821 176.519 0.151 0.000 1.175 260 W CA 0.629 58.080 57.345 0.177 0.000 1.409 260 W CB 1.595 31.121 29.460 0.109 0.000 1.101 260 W HN -0.079 8.280 8.180 0.412 0.068 0.558 261 E N -1.377 118.796 120.200 -0.046 0.000 2.105 261 E HA 0.205 nan 4.350 nan 0.000 0.285 261 E C -0.360 176.230 176.600 -0.017 0.000 1.055 261 E CA -0.110 56.216 56.400 -0.123 0.000 0.843 261 E CB -0.106 29.607 29.700 0.022 0.000 1.067 261 E HN -0.234 8.246 8.360 0.200 0.000 0.398 262 I N 6.779 127.328 120.570 -0.035 0.000 2.378 262 I HA 0.321 nan 4.170 nan 0.000 0.291 262 I C -2.468 173.660 176.117 0.020 0.000 0.992 262 I CA -4.695 56.646 61.300 0.067 0.000 1.154 262 I CB 2.374 40.484 38.000 0.184 0.000 1.315 262 I HN 0.709 8.849 8.210 -0.117 0.000 0.448 263 P HA -0.031 nan 4.420 nan 0.000 0.258 263 P C 0.206 177.493 177.300 -0.023 0.000 1.187 263 P CA 0.059 63.150 63.100 -0.015 0.000 0.767 263 P CB 0.297 31.986 31.700 -0.019 0.000 0.770 264 R N 5.492 125.945 120.500 -0.078 0.000 2.139 264 R HA -0.467 nan 4.340 nan 0.000 0.243 264 R C 1.998 178.250 176.300 -0.080 0.000 1.145 264 R CA 3.841 59.871 56.100 -0.117 0.000 0.976 264 R CB -0.278 29.874 30.300 -0.248 0.000 0.866 264 R HN 0.683 8.894 8.270 -0.099 0.000 0.449 265 E N -0.854 119.296 120.200 -0.084 0.000 2.267 265 E HA -0.227 nan 4.350 nan 0.000 0.197 265 E C 1.217 177.756 176.600 -0.101 0.000 0.998 265 E CA 2.624 58.973 56.400 -0.085 0.000 0.830 265 E CB -0.908 28.744 29.700 -0.081 0.000 0.751 265 E HN 0.395 8.659 8.360 -0.083 0.047 0.491 266 S N -2.168 113.459 115.700 -0.120 0.000 2.474 266 S HA -0.171 nan 4.470 nan 0.000 0.235 266 S C 0.151 174.659 174.600 -0.154 0.000 0.997 266 S CA 2.308 60.362 58.200 -0.243 0.000 0.949 266 S CB 0.845 63.812 63.200 -0.388 0.000 0.766 266 S HN -0.294 7.911 8.310 -0.082 0.055 0.517 267 L N 0.806 122.018 121.223 -0.017 0.000 2.330 267 L HA 0.363 nan 4.340 nan 0.000 0.271 267 L C -1.068 175.811 176.870 0.015 0.000 1.013 267 L CA -1.104 53.768 54.840 0.054 0.000 0.816 267 L CB 1.420 43.575 42.059 0.159 0.000 1.287 267 L HN -0.324 7.845 8.230 -0.014 0.053 0.435 268 K N 1.428 121.845 120.400 0.030 0.000 2.572 268 K HA 0.240 nan 4.320 nan 0.000 0.244 268 K C -1.364 175.267 176.600 0.051 0.000 0.965 268 K CA -1.427 54.867 56.287 0.012 0.000 0.943 268 K CB 1.102 33.601 32.500 -0.002 0.000 1.154 268 K HN -0.188 8.093 8.250 0.052 0.000 0.447 269 L N 5.499 126.729 121.223 0.013 0.000 2.536 269 L HA -0.112 nan 4.340 nan 0.000 0.282 269 L C -0.076 176.918 176.870 0.207 0.000 1.174 269 L CA 0.594 55.471 54.840 0.062 0.000 0.989 269 L CB -1.274 40.604 42.059 -0.301 0.000 1.311 269 L HN 0.624 8.824 8.230 -0.050 0.000 0.455 270 E N 2.175 122.544 120.200 0.281 0.000 2.442 270 E HA -0.049 nan 4.350 nan 0.000 0.195 270 E C -0.143 176.656 176.600 0.332 0.000 1.030 270 E CA 0.460 57.022 56.400 0.271 0.000 0.869 270 E CB 0.696 30.464 29.700 0.114 0.000 0.857 270 E HN -0.160 8.331 8.360 0.219 0.000 0.505 271 K N -0.686 119.894 120.400 0.300 0.000 2.615 271 K HA 0.193 nan 4.320 nan 0.000 0.249 271 K C -2.086 174.132 176.600 -0.637 0.000 0.977 271 K CA -1.552 54.680 56.287 -0.091 0.000 0.833 271 K CB 2.330 34.791 32.500 -0.064 0.000 1.208 271 K HN -0.762 7.760 8.250 0.454 0.000 0.443 272 K N 6.859 126.442 120.400 -1.361 0.000 2.351 272 K HA -0.028 nan 4.320 nan 0.000 0.287 272 K C -0.100 176.094 176.600 -0.676 0.000 1.068 272 K CA 1.095 56.400 56.287 -1.637 0.000 0.998 272 K CB -0.562 31.235 32.500 -1.172 0.000 0.968 272 K HN 0.580 8.208 8.250 -1.036 0.000 0.464 273 L N 5.026 125.960 121.223 -0.481 0.000 2.354 273 L HA 0.131 nan 4.340 nan 0.000 0.212 273 L C 0.004 176.775 176.870 -0.164 0.000 1.091 273 L CA 0.146 54.858 54.840 -0.214 0.000 0.828 273 L CB 0.792 42.801 42.059 -0.084 0.000 0.973 273 L HN 0.523 8.410 8.230 -0.572 0.000 0.461 274 G N -4.143 104.545 108.800 -0.186 0.000 2.616 274 G HA2 0.129 nan 3.960 nan 0.000 0.294 274 G HA3 0.129 nan 3.960 nan 0.000 0.294 274 G C -3.518 171.318 174.900 -0.106 0.000 1.489 274 G CA 0.082 45.110 45.100 -0.120 0.000 0.836 274 G HN -0.822 7.319 8.290 -0.249 0.000 0.527 275 A N 0.422 123.199 122.820 -0.072 0.000 2.324 275 A HA 1.014 nan 4.320 nan 0.000 0.330 275 A C -0.968 176.599 177.584 -0.028 0.000 1.165 275 A CA -1.263 50.748 52.037 -0.042 0.000 0.813 275 A CB 1.483 20.460 19.000 -0.038 0.000 1.197 275 A HN 0.099 8.209 8.150 -0.067 0.000 0.484 276 G N 0.091 108.887 108.800 -0.008 0.000 3.016 276 G HA2 0.118 nan 3.960 nan 0.000 0.270 276 G HA3 0.118 nan 3.960 nan 0.000 0.270 276 G C -1.460 173.416 174.900 -0.039 0.000 1.352 276 G CA -0.513 44.592 45.100 0.008 0.000 1.060 276 G HN 0.134 8.424 8.290 0.001 0.000 0.538 277 Q N -2.447 117.305 119.800 -0.081 0.000 2.424 277 Q HA 0.205 nan 4.340 nan 0.000 0.204 277 Q C -0.000 175.574 176.000 -0.710 0.000 0.933 277 Q CA 1.333 56.904 55.803 -0.386 0.000 0.929 277 Q CB 0.111 28.545 28.738 -0.507 0.000 1.037 277 Q HN 0.189 8.481 8.270 0.038 0.000 0.511 278 F N -3.805 116.162 119.950 0.030 0.000 2.706 278 F HA 0.230 nan 4.527 nan 0.000 0.313 278 F C -1.117 174.691 175.800 0.014 0.000 1.096 278 F CA -1.025 56.990 58.000 0.026 0.000 1.219 278 F CB 1.748 40.767 39.000 0.032 0.000 1.051 278 F HN -0.218 8.136 8.300 0.149 0.035 0.568 279 G N -2.921 105.953 108.800 0.123 0.000 2.554 279 G HA2 0.290 nan 3.960 nan 0.000 0.306 279 G HA3 0.290 nan 3.960 nan 0.000 0.306 279 G C -2.792 172.147 174.900 0.065 0.000 1.320 279 G CA 0.309 45.463 45.100 0.089 0.000 0.800 279 G HN -0.914 7.410 8.290 0.057 0.000 0.481 280 E N -3.053 117.192 120.200 0.076 0.000 2.392 280 E HA 0.745 nan 4.350 nan 0.000 0.279 280 E C -1.620 175.044 176.600 0.107 0.000 0.964 280 E CA -0.980 55.475 56.400 0.091 0.000 0.777 280 E CB 5.276 35.100 29.700 0.206 0.000 1.249 280 E HN -0.368 8.030 8.360 0.062 0.000 0.449 281 V N -0.746 119.184 119.914 0.026 0.000 2.487 281 V HA 0.728 nan 4.120 nan 0.000 0.298 281 V C -1.541 174.525 176.094 -0.046 0.000 1.028 281 V CA -1.466 60.864 62.300 0.051 0.000 0.860 281 V CB 1.368 33.203 31.823 0.020 0.000 0.991 281 V HN 0.654 8.808 8.190 -0.061 0.000 0.427 282 W N 5.812 127.100 121.300 -0.021 0.000 2.587 282 W HA 0.585 nan 4.660 nan 0.000 0.324 282 W C -1.092 175.451 176.519 0.040 0.000 1.040 282 W CA -1.534 55.808 57.345 -0.004 0.000 1.222 282 W CB 3.043 32.475 29.460 -0.046 0.000 1.381 282 W HN 0.920 9.157 8.180 0.277 0.110 0.483 283 M N 3.492 123.224 119.600 0.219 0.000 2.245 283 M HA 0.211 nan 4.480 nan 0.000 0.330 283 M C -1.524 174.888 176.300 0.187 0.000 1.098 283 M CA 1.141 56.534 55.300 0.155 0.000 1.172 283 M CB 1.096 33.709 32.600 0.022 0.000 1.467 283 M HN 0.641 8.882 8.290 0.086 0.100 0.454 284 A N 2.174 125.059 122.820 0.108 0.000 2.586 284 A HA 0.517 nan 4.320 nan 0.000 0.290 284 A C -2.504 175.148 177.584 0.114 0.000 1.086 284 A CA -0.019 52.103 52.037 0.141 0.000 0.665 284 A CB 3.346 22.464 19.000 0.196 0.000 1.279 284 A HN -0.024 8.142 8.150 0.026 0.000 0.423 285 T N 1.319 115.945 114.554 0.121 0.000 2.906 285 T HA 0.540 nan 4.350 nan 0.000 0.302 285 T C -1.514 173.281 174.700 0.158 0.000 1.002 285 T CA -0.002 62.173 62.100 0.124 0.000 0.988 285 T CB 1.301 70.197 68.868 0.046 0.000 0.972 285 T HN 0.021 8.326 8.240 0.107 0.000 0.447 286 Y N 7.206 127.578 120.300 0.120 0.000 2.335 286 Y HA -0.169 nan 4.550 nan 0.000 0.331 286 Y C -1.110 174.808 175.900 0.029 0.000 1.094 286 Y CA 0.151 58.308 58.100 0.095 0.000 1.253 286 Y CB 1.482 40.031 38.460 0.149 0.000 1.203 286 Y HN 0.794 9.298 8.280 0.373 0.000 0.508 287 N N 7.930 126.273 118.700 -0.594 0.000 2.722 287 N HA -0.518 nan 4.740 nan 0.000 0.274 287 N C -0.799 174.619 175.510 -0.153 0.000 0.987 287 N CA 1.552 54.340 53.050 -0.438 0.000 0.817 287 N CB -1.605 36.527 38.487 -0.592 0.000 0.921 287 N HN 0.567 8.400 8.380 -0.728 0.110 0.565 288 K N -6.072 114.246 120.400 -0.137 0.000 3.445 288 K HA -0.444 nan 4.320 nan 0.000 0.316 288 K C -0.027 176.459 176.600 -0.190 0.000 1.278 288 K CA 2.173 58.357 56.287 -0.172 0.000 0.976 288 K CB -1.239 31.102 32.500 -0.264 0.000 1.238 288 K HN 0.552 8.720 8.250 -0.138 0.000 0.430 289 H N -5.072 113.990 119.070 -0.013 0.000 2.636 289 H HA 0.156 nan 4.556 nan 0.000 0.202 289 H C -0.525 174.832 175.328 0.048 0.000 0.870 289 H CA 0.920 56.964 56.048 -0.007 0.000 0.943 289 H CB 3.132 32.863 29.762 -0.052 0.000 1.259 289 H HN -0.465 7.820 8.280 0.117 0.065 0.440 290 T N 3.945 118.652 114.554 0.256 0.000 2.729 290 T HA 0.177 nan 4.350 nan 0.000 0.296 290 T C -1.235 173.615 174.700 0.250 0.000 0.928 290 T CA 0.234 62.494 62.100 0.267 0.000 1.045 290 T CB -0.120 68.960 68.868 0.353 0.000 0.902 290 T HN -0.396 8.011 8.240 0.279 0.000 0.500 291 K N 6.675 127.186 120.400 0.184 0.000 2.185 291 K HA 0.596 nan 4.320 nan 0.000 0.271 291 K C -0.943 175.786 176.600 0.216 0.000 1.013 291 K CA -0.241 56.114 56.287 0.113 0.000 0.943 291 K CB 1.167 33.651 32.500 -0.028 0.000 0.998 291 K HN 0.213 8.568 8.250 0.176 0.000 0.468 292 V N -2.563 117.484 119.914 0.221 0.000 3.098 292 V HA 0.745 nan 4.120 nan 0.000 0.310 292 V C -2.290 173.990 176.094 0.309 0.000 1.515 292 V CA -2.000 60.491 62.300 0.317 0.000 1.020 292 V CB 3.473 35.494 31.823 0.330 0.000 1.053 292 V HN -0.255 8.012 8.190 0.129 0.000 0.476 293 A N -2.319 120.675 122.820 0.290 0.000 2.485 293 A HA 0.907 nan 4.320 nan 0.000 0.292 293 A C -2.293 175.398 177.584 0.179 0.000 1.147 293 A CA -1.985 50.205 52.037 0.256 0.000 0.750 293 A CB 3.336 22.493 19.000 0.261 0.000 1.331 293 A HN 0.196 8.494 8.150 0.247 0.000 0.419 294 V N -1.361 118.647 119.914 0.157 0.000 2.686 294 V HA 0.343 nan 4.120 nan 0.000 0.306 294 V C -1.978 174.136 176.094 0.033 0.000 1.065 294 V CA -0.443 61.905 62.300 0.080 0.000 0.894 294 V CB 3.656 35.506 31.823 0.045 0.000 1.004 294 V HN 0.339 8.643 8.190 0.190 0.000 0.424 295 K N 6.934 127.321 120.400 -0.022 0.000 2.240 295 K HA 0.625 nan 4.320 nan 0.000 0.271 295 K C -0.919 175.574 176.600 -0.178 0.000 1.018 295 K CA -1.519 54.748 56.287 -0.034 0.000 0.874 295 K CB 2.859 35.365 32.500 0.009 0.000 1.098 295 K HN 0.790 8.924 8.250 -0.004 0.114 0.458 296 T N 4.732 119.148 114.554 -0.230 0.000 2.728 296 T HA 0.470 nan 4.350 nan 0.000 0.296 296 T C -0.273 174.380 174.700 -0.078 0.000 0.940 296 T CA -1.558 60.331 62.100 -0.351 0.000 1.013 296 T CB 0.401 69.043 68.868 -0.376 0.000 0.912 296 T HN 0.622 8.813 8.240 -0.082 0.000 0.484 297 M N 5.757 125.337 119.600 -0.033 0.000 2.088 297 M HA 0.250 nan 4.480 nan 0.000 0.346 297 M C -0.205 176.114 176.300 0.033 0.000 1.111 297 M CA -2.327 52.969 55.300 -0.007 0.000 1.017 297 M CB 0.585 33.121 32.600 -0.108 0.000 1.568 297 M HN 0.668 8.952 8.290 -0.010 0.000 0.445 298 K N 5.709 126.152 120.400 0.072 0.000 2.511 298 K HA -0.059 nan 4.320 nan 0.000 0.280 298 K C -1.734 174.904 176.600 0.064 0.000 1.008 298 K CA 0.120 56.452 56.287 0.075 0.000 1.050 298 K CB -0.622 31.932 32.500 0.090 0.000 0.889 298 K HN 0.412 8.723 8.250 0.101 0.000 0.484 299 P HA -0.117 nan 4.420 nan 0.000 0.271 299 P C 0.012 177.337 177.300 0.042 0.000 1.218 299 P CA -0.027 63.092 63.100 0.032 0.000 0.780 299 P CB 0.004 31.719 31.700 0.025 0.000 0.901 300 G N 4.057 112.877 108.800 0.034 0.000 2.212 300 G HA2 -0.374 nan 3.960 nan 0.000 0.266 300 G HA3 -0.374 nan 3.960 nan 0.000 0.266 300 G C 0.860 175.794 174.900 0.058 0.000 0.978 300 G CA 0.988 46.114 45.100 0.043 0.000 0.632 300 G HN 0.245 8.911 8.290 0.022 -0.363 0.537 301 S N 0.019 115.760 115.700 0.067 0.000 2.419 301 S HA -0.243 nan 4.470 nan 0.000 0.235 301 S C -1.278 173.336 174.600 0.023 0.000 1.019 301 S CA 3.153 61.399 58.200 0.076 0.000 0.982 301 S CB 0.506 63.757 63.200 0.085 0.000 0.789 301 S HN -0.183 8.071 8.310 0.065 0.095 0.490 302 M N -5.812 113.800 119.600 0.020 0.000 2.603 302 M HA 0.233 nan 4.480 nan 0.000 0.275 302 M C -2.126 174.202 176.300 0.048 0.000 1.226 302 M CA -0.884 54.438 55.300 0.036 0.000 0.870 302 M CB 3.978 36.604 32.600 0.043 0.000 1.716 302 M HN -0.958 7.296 8.290 0.018 0.046 0.482 303 S N 1.165 116.909 115.700 0.073 0.000 2.489 303 S HA 0.290 nan 4.470 nan 0.000 0.277 303 S C 0.725 175.393 174.600 0.114 0.000 1.230 303 S CA -0.937 57.307 58.200 0.074 0.000 1.053 303 S CB 0.699 63.939 63.200 0.066 0.000 0.955 303 S HN 0.099 8.457 8.310 0.079 0.000 0.488 304 V N 6.967 126.943 119.914 0.103 0.000 2.313 304 V HA -0.453 nan 4.120 nan 0.000 0.253 304 V C 1.230 177.443 176.094 0.197 0.000 1.070 304 V CA 3.900 66.298 62.300 0.163 0.000 1.057 304 V CB -0.393 31.492 31.823 0.104 0.000 0.653 304 V HN 0.760 8.991 8.190 0.068 0.000 0.450 305 E N -1.235 119.039 120.200 0.124 0.000 2.049 305 E HA -0.339 nan 4.350 nan 0.000 0.198 305 E C 2.200 178.857 176.600 0.095 0.000 1.007 305 E CA 3.388 59.846 56.400 0.096 0.000 0.809 305 E CB -1.386 28.354 29.700 0.067 0.000 0.749 305 E HN 0.580 8.995 8.360 0.099 0.005 0.450 306 A N -0.912 121.975 122.820 0.111 0.000 1.877 306 A HA -0.240 nan 4.320 nan 0.000 0.216 306 A C 2.208 179.863 177.584 0.119 0.000 1.186 306 A CA 2.572 54.670 52.037 0.102 0.000 0.620 306 A CB -0.674 18.390 19.000 0.106 0.000 0.822 306 A HN -0.292 7.802 8.150 0.119 0.127 0.443 307 F N -0.350 119.618 119.950 0.031 0.000 2.149 307 F HA -0.244 nan 4.527 nan 0.000 0.294 307 F C 1.090 176.918 175.800 0.046 0.000 1.095 307 F CA 2.645 60.665 58.000 0.033 0.000 1.276 307 F CB 0.844 39.861 39.000 0.028 0.000 1.023 307 F HN -0.514 7.982 8.300 0.327 0.000 0.480 308 L N -0.084 121.008 121.223 -0.220 0.000 2.129 308 L HA -0.441 nan 4.340 nan 0.000 0.212 308 L C 1.391 178.139 176.870 -0.202 0.000 1.087 308 L CA 2.719 57.399 54.840 -0.267 0.000 0.757 308 L CB -0.754 41.331 42.059 0.042 0.000 0.896 308 L HN 0.080 8.417 8.230 0.178 0.000 0.434 309 A N -2.167 120.577 122.820 -0.127 0.000 1.873 309 A HA -0.313 nan 4.320 nan 0.000 0.215 309 A C 1.959 179.452 177.584 -0.151 0.000 1.186 309 A CA 3.271 55.249 52.037 -0.097 0.000 0.616 309 A CB -1.036 17.936 19.000 -0.047 0.000 0.823 309 A HN -0.423 7.666 8.150 -0.077 0.014 0.442 310 E N -0.646 119.446 120.200 -0.180 0.000 2.153 310 E HA -0.287 nan 4.350 nan 0.000 0.194 310 E C 2.032 178.482 176.600 -0.249 0.000 0.988 310 E CA 2.491 58.797 56.400 -0.157 0.000 0.811 310 E CB -0.409 29.249 29.700 -0.071 0.000 0.746 310 E HN -0.387 7.784 8.360 -0.180 0.081 0.466 311 A N -1.101 121.475 122.820 -0.406 0.000 1.969 311 A HA -0.227 nan 4.320 nan 0.000 0.218 311 A C 1.870 179.367 177.584 -0.145 0.000 1.169 311 A CA 3.146 55.009 52.037 -0.290 0.000 0.635 311 A CB -0.797 17.985 19.000 -0.362 0.000 0.810 311 A HN 0.312 8.095 8.150 -0.613 -0.001 0.445 312 N N -1.527 117.092 118.700 -0.135 0.000 2.364 312 N HA -0.287 nan 4.740 nan 0.000 0.183 312 N C 1.992 177.370 175.510 -0.221 0.000 1.022 312 N CA 3.637 56.579 53.050 -0.179 0.000 0.883 312 N CB 0.334 38.748 38.487 -0.122 0.000 0.965 312 N HN -0.343 7.857 8.380 -0.147 0.092 0.438 313 V N 1.010 120.790 119.914 -0.223 0.000 2.256 313 V HA -0.354 nan 4.120 nan 0.000 0.240 313 V C 1.981 177.886 176.094 -0.315 0.000 1.036 313 V CA 4.324 66.458 62.300 -0.277 0.000 1.008 313 V CB -0.374 31.259 31.823 -0.317 0.000 0.648 313 V HN -0.140 7.807 8.190 -0.206 0.120 0.453 314 M N -0.702 118.703 119.600 -0.325 0.000 2.108 314 M HA -0.521 nan 4.480 nan 0.000 0.257 314 M C 2.323 178.452 176.300 -0.285 0.000 1.071 314 M CA 4.232 59.313 55.300 -0.364 0.000 1.093 314 M CB -0.322 32.014 32.600 -0.440 0.000 1.345 314 M HN 0.193 8.308 8.290 -0.293 0.000 0.403 315 K N -2.764 117.487 120.400 -0.249 0.000 2.442 315 K HA -0.201 nan 4.320 nan 0.000 0.198 315 K C 1.421 177.916 176.600 -0.176 0.000 1.044 315 K CA 2.340 58.488 56.287 -0.232 0.000 0.948 315 K CB -0.701 31.548 32.500 -0.419 0.000 0.762 315 K HN 0.087 8.188 8.250 -0.249 0.000 0.472 316 T N 0.266 114.722 114.554 -0.164 0.000 3.023 316 T HA -0.032 nan 4.350 nan 0.000 0.266 316 T C 0.583 175.293 174.700 0.017 0.000 1.093 316 T CA 2.598 64.640 62.100 -0.096 0.000 1.129 316 T CB 0.088 68.876 68.868 -0.132 0.000 0.899 316 T HN -0.059 7.894 8.240 -0.204 0.165 0.491 317 L N 2.923 124.183 121.223 0.061 0.000 2.533 317 L HA 0.088 nan 4.340 nan 0.000 0.239 317 L C -1.436 175.625 176.870 0.319 0.000 1.376 317 L CA -1.396 53.623 54.840 0.298 0.000 1.240 317 L CB -2.007 40.247 42.059 0.325 0.000 1.487 317 L HN -0.426 7.741 8.230 -0.023 0.049 0.419 318 Q N 0.623 120.552 119.800 0.215 0.000 2.348 318 Q HA -0.033 nan 4.340 nan 0.000 0.251 318 Q C -1.147 174.773 176.000 -0.134 0.000 1.113 318 Q CA 0.057 55.893 55.803 0.055 0.000 0.902 318 Q CB 0.095 28.853 28.738 0.033 0.000 1.333 318 Q HN -0.517 7.827 8.270 0.231 0.065 0.457 319 H N 5.610 124.444 119.070 -0.393 0.000 2.865 319 H HA 0.228 nan 4.556 nan 0.000 0.362 319 H C -0.285 174.822 175.328 -0.368 0.000 1.114 319 H CA -0.583 55.058 56.048 -0.678 0.000 1.208 319 H CB 3.528 32.569 29.762 -1.202 0.000 1.727 319 H HN -0.202 8.021 8.280 -0.094 0.000 0.534 320 D N 6.185 126.136 120.400 -0.749 0.000 2.228 320 D HA -0.264 nan 4.640 nan 0.000 0.203 320 D C 0.201 176.202 176.300 -0.499 0.000 0.988 320 D CA 2.416 56.087 54.000 -0.549 0.000 0.864 320 D CB 0.226 40.731 40.800 -0.492 0.000 0.928 320 D HN 0.412 8.337 8.370 -0.741 0.000 0.469 321 K N -2.981 117.057 120.400 -0.603 0.000 2.814 321 K HA 0.205 nan 4.320 nan 0.000 0.213 321 K C -1.245 175.258 176.600 -0.161 0.000 1.113 321 K CA -1.260 54.882 56.287 -0.241 0.000 1.145 321 K CB -0.266 32.173 32.500 -0.101 0.000 0.948 321 K HN -0.663 6.825 8.250 -1.226 0.027 0.464 322 L N -3.267 117.841 121.223 -0.192 0.000 2.472 322 L HA 0.518 nan 4.340 nan 0.000 0.260 322 L C -1.514 175.287 176.870 -0.114 0.000 0.963 322 L CA -1.197 53.486 54.840 -0.263 0.000 0.829 322 L CB 3.936 45.829 42.059 -0.277 0.000 1.348 322 L HN -0.487 7.562 8.230 -0.202 0.059 0.408 323 V N 2.261 122.135 119.914 -0.067 0.000 2.439 323 V HA -0.110 nan 4.120 nan 0.000 0.271 323 V C -0.650 175.454 176.094 0.016 0.000 1.040 323 V CA -0.308 61.976 62.300 -0.026 0.000 1.002 323 V CB 0.501 32.308 31.823 -0.026 0.000 1.000 323 V HN 0.509 8.605 8.190 -0.157 0.000 0.477 324 K N 9.306 129.636 120.400 -0.117 0.000 2.405 324 K HA -0.241 nan 4.320 nan 0.000 0.273 324 K C -0.933 175.391 176.600 -0.460 0.000 1.116 324 K CA 0.483 56.619 56.287 -0.251 0.000 1.155 324 K CB -0.210 32.113 32.500 -0.294 0.000 0.858 324 K HN 0.051 8.443 8.250 -0.115 -0.211 0.477 325 L N 6.005 127.060 121.223 -0.281 0.000 2.410 325 L HA -0.091 nan 4.340 nan 0.000 0.273 325 L C -0.169 176.536 176.870 -0.275 0.000 1.144 325 L CA 0.901 55.594 54.840 -0.245 0.000 0.863 325 L CB 0.083 42.053 42.059 -0.147 0.000 1.140 325 L HN 0.192 8.334 8.230 -0.147 0.000 0.463 326 H N 5.793 124.726 119.070 -0.228 0.000 2.373 326 H HA 0.137 nan 4.556 nan 0.000 0.290 326 H C -1.320 173.799 175.328 -0.348 0.000 0.989 326 H CA 0.498 56.186 56.048 -0.600 0.000 1.250 326 H CB 2.500 31.430 29.762 -1.387 0.000 1.477 326 H HN 1.018 9.203 8.280 -0.159 0.000 0.551 327 A N -4.448 118.296 122.820 -0.128 0.000 2.557 327 A HA 0.502 nan 4.320 nan 0.000 0.292 327 A C -2.862 174.457 177.584 -0.443 0.000 1.139 327 A CA -0.776 51.126 52.037 -0.225 0.000 0.665 327 A CB 3.646 22.753 19.000 0.178 0.000 1.285 327 A HN -0.729 7.333 8.150 -0.147 0.000 0.433 328 V N -2.467 117.105 119.914 -0.571 0.000 3.048 328 V HA 0.617 nan 4.120 nan 0.000 0.303 328 V C -2.214 173.765 176.094 -0.191 0.000 1.214 328 V CA -0.753 61.363 62.300 -0.306 0.000 0.984 328 V CB 4.715 36.341 31.823 -0.330 0.000 1.054 328 V HN 0.383 8.176 8.190 -0.661 0.000 0.430 329 V N 6.990 126.878 119.914 -0.043 0.000 2.350 329 V HA 0.468 nan 4.120 nan 0.000 0.276 329 V C 0.669 176.740 176.094 -0.038 0.000 1.028 329 V CA -0.927 61.343 62.300 -0.050 0.000 0.860 329 V CB 0.592 32.373 31.823 -0.069 0.000 0.990 329 V HN 0.797 8.897 8.190 0.023 0.103 0.453 330 T N 6.117 120.647 114.554 -0.041 0.000 2.904 330 T HA -0.168 nan 4.350 nan 0.000 0.267 330 T C 0.267 174.963 174.700 -0.006 0.000 1.059 330 T CA 2.276 64.378 62.100 0.003 0.000 1.137 330 T CB 0.097 68.967 68.868 0.003 0.000 0.879 330 T HN 0.401 8.605 8.240 -0.059 0.000 0.467 331 K N 1.988 122.361 120.400 -0.045 0.000 2.297 331 K HA 0.062 nan 4.320 nan 0.000 0.286 331 K C -0.298 176.260 176.600 -0.070 0.000 1.053 331 K CA -1.291 54.965 56.287 -0.051 0.000 0.940 331 K CB 0.088 32.546 32.500 -0.069 0.000 1.019 331 K HN -0.209 8.001 8.250 -0.068 0.000 0.475 332 E N 4.802 124.977 120.200 -0.042 0.000 2.708 332 E HA -0.238 nan 4.350 nan 0.000 0.260 332 E C -0.935 175.636 176.600 -0.048 0.000 0.937 332 E CA -0.202 56.177 56.400 -0.035 0.000 0.953 332 E CB -0.685 29.005 29.700 -0.016 0.000 0.915 332 E HN 0.195 8.541 8.360 -0.025 0.000 0.487 333 P HA 0.072 nan 4.420 nan 0.000 0.268 333 P C -1.470 175.879 177.300 0.082 0.000 1.204 333 P CA -0.305 62.828 63.100 0.055 0.000 0.768 333 P CB 0.493 32.290 31.700 0.161 0.000 0.842 334 I N 3.075 123.657 120.570 0.019 0.000 2.529 334 I HA -0.006 nan 4.170 nan 0.000 0.284 334 I C -0.961 175.254 176.117 0.163 0.000 1.082 334 I CA 0.273 61.548 61.300 -0.040 0.000 1.406 334 I CB 0.307 38.090 38.000 -0.362 0.000 1.405 334 I HN -0.325 7.872 8.210 -0.021 0.000 0.548 335 Y N 6.132 126.366 120.300 -0.110 0.000 2.341 335 Y HA 0.497 nan 4.550 nan 0.000 0.338 335 Y C -1.139 174.742 175.900 -0.033 0.000 0.965 335 Y CA -2.480 55.586 58.100 -0.055 0.000 1.108 335 Y CB 1.631 40.074 38.460 -0.028 0.000 1.180 335 Y HN -0.344 8.033 8.280 0.161 0.000 0.458 336 I N 3.736 124.361 120.570 0.091 0.000 2.418 336 I HA 0.388 nan 4.170 nan 0.000 0.287 336 I C -1.165 174.986 176.117 0.057 0.000 1.008 336 I CA -1.051 60.295 61.300 0.076 0.000 1.104 336 I CB 1.992 40.055 38.000 0.106 0.000 1.264 336 I HN 0.469 8.696 8.210 0.027 0.000 0.438 337 I N 9.578 130.174 120.570 0.044 0.000 2.315 337 I HA 0.365 nan 4.170 nan 0.000 0.291 337 I C -1.224 174.869 176.117 -0.039 0.000 1.006 337 I CA -0.475 60.857 61.300 0.053 0.000 1.265 337 I CB 0.329 38.386 38.000 0.095 0.000 1.387 337 I HN 0.010 8.227 8.210 0.012 0.000 0.475 338 T N 3.464 118.003 114.554 -0.025 0.000 2.930 338 T HA 0.747 nan 4.350 nan 0.000 0.290 338 T C -0.456 174.216 174.700 -0.047 0.000 1.052 338 T CA -2.980 59.030 62.100 -0.150 0.000 1.017 338 T CB 2.665 71.491 68.868 -0.070 0.000 1.137 338 T HN 0.155 8.424 8.240 0.048 0.000 0.511 339 E N 0.680 120.786 120.200 -0.158 0.000 2.418 339 E HA -0.110 nan 4.350 nan 0.000 0.261 339 E C -0.855 175.828 176.600 0.138 0.000 1.070 339 E CA 0.025 56.483 56.400 0.097 0.000 0.931 339 E CB 0.512 30.240 29.700 0.047 0.000 0.954 339 E HN -0.013 8.110 8.360 -0.395 0.000 0.439 340 F N 3.198 123.193 119.950 0.075 0.000 2.504 340 F HA -0.038 nan 4.527 nan 0.000 0.369 340 F C -0.713 175.097 175.800 0.018 0.000 1.082 340 F CA 0.533 58.565 58.000 0.054 0.000 1.216 340 F CB 0.579 39.626 39.000 0.077 0.000 1.108 340 F HN 0.262 8.787 8.300 0.376 0.000 0.554 341 M N 8.974 128.076 119.600 -0.830 0.000 2.065 341 M HA 0.217 nan 4.480 nan 0.000 0.332 341 M C -0.158 175.609 176.300 -0.889 0.000 0.988 341 M CA -2.728 52.176 55.300 -0.660 0.000 0.944 341 M CB -1.412 30.963 32.600 -0.375 0.000 1.357 341 M HN 0.280 8.068 8.290 -0.837 0.000 0.388 342 A N 8.206 130.547 122.820 -0.799 0.000 1.900 342 A HA -0.373 nan 4.320 nan 0.000 0.225 342 A C 1.067 178.490 177.584 -0.268 0.000 1.414 342 A CA 3.014 54.776 52.037 -0.459 0.000 0.702 342 A CB -0.204 18.724 19.000 -0.119 0.000 0.845 342 A HN 0.493 8.288 8.150 -0.592 0.000 0.478 343 K N -1.879 118.404 120.400 -0.195 0.000 2.596 343 K HA 0.047 nan 4.320 nan 0.000 0.211 343 K C -0.763 175.812 176.600 -0.041 0.000 1.046 343 K CA -0.795 55.459 56.287 -0.054 0.000 1.202 343 K CB -0.331 32.177 32.500 0.014 0.000 0.925 343 K HN -0.102 8.003 8.250 -0.242 0.000 0.486 344 G N -0.734 107.985 108.800 -0.135 0.000 2.725 344 G HA2 -0.344 nan 3.960 nan 0.000 0.220 344 G HA3 -0.344 nan 3.960 nan 0.000 0.220 344 G C -1.941 172.904 174.900 -0.093 0.000 1.357 344 G CA -0.682 44.367 45.100 -0.085 0.000 0.866 344 G HN -0.319 7.757 8.290 -0.245 0.067 0.548 345 S N -0.568 115.096 115.700 -0.060 0.000 2.592 345 S HA 0.191 nan 4.470 nan 0.000 0.271 345 S C 1.229 175.807 174.600 -0.038 0.000 1.326 345 S CA -0.900 57.257 58.200 -0.072 0.000 1.024 345 S CB 1.699 64.862 63.200 -0.062 0.000 0.921 345 S HN -0.201 8.086 8.310 -0.038 0.000 0.527 346 L N 3.728 124.900 121.223 -0.084 0.000 2.043 346 L HA -0.318 nan 4.340 nan 0.000 0.212 346 L C 1.175 178.084 176.870 0.064 0.000 1.075 346 L CA 3.303 58.101 54.840 -0.071 0.000 0.752 346 L CB -0.414 41.552 42.059 -0.154 0.000 0.891 346 L HN 0.910 8.981 8.230 -0.108 0.094 0.432 347 L N -2.074 119.164 121.223 0.025 0.000 1.971 347 L HA -0.469 nan 4.340 nan 0.000 0.215 347 L C 1.569 178.477 176.870 0.063 0.000 1.072 347 L CA 3.375 58.243 54.840 0.047 0.000 0.758 347 L CB -1.064 40.999 42.059 0.008 0.000 0.889 347 L HN -0.624 7.493 8.230 -0.019 0.101 0.433 348 D N -1.439 118.989 120.400 0.047 0.000 2.097 348 D HA -0.345 nan 4.640 nan 0.000 0.195 348 D C 2.473 178.810 176.300 0.062 0.000 0.989 348 D CA 3.304 57.327 54.000 0.039 0.000 0.827 348 D CB -0.110 40.705 40.800 0.024 0.000 0.966 348 D HN -0.812 7.497 8.370 0.028 0.078 0.456 349 F N 0.753 120.684 119.950 -0.032 0.000 2.120 349 F HA -0.394 nan 4.527 nan 0.000 0.300 349 F C 1.654 177.473 175.800 0.032 0.000 1.095 349 F CA 3.331 61.320 58.000 -0.018 0.000 1.249 349 F CB 0.218 39.182 39.000 -0.059 0.000 0.995 349 F HN -0.025 8.399 8.300 0.207 0.000 0.480 350 L N -1.760 119.533 121.223 0.116 0.000 2.056 350 L HA -0.484 nan 4.340 nan 0.000 0.207 350 L C 1.451 178.322 176.870 0.003 0.000 1.078 350 L CA 2.947 57.845 54.840 0.097 0.000 0.749 350 L CB -0.117 42.070 42.059 0.213 0.000 0.901 350 L HN 0.244 8.377 8.230 0.198 0.216 0.433 351 K N -4.338 116.061 120.400 -0.002 0.000 2.555 351 K HA -0.213 nan 4.320 nan 0.000 0.193 351 K C -0.047 176.501 176.600 -0.088 0.000 1.032 351 K CA 0.769 57.042 56.287 -0.024 0.000 1.004 351 K CB -0.253 32.247 32.500 -0.000 0.000 0.804 351 K HN -0.373 7.890 8.250 0.022 0.000 0.496 352 S N 1.328 116.929 115.700 -0.164 0.000 2.641 352 S HA -0.011 nan 4.470 nan 0.000 0.261 352 S C 0.285 174.766 174.600 -0.198 0.000 1.257 352 S CA 0.174 58.265 58.200 -0.183 0.000 0.983 352 S CB 2.691 65.748 63.200 -0.238 0.000 0.990 352 S HN -0.524 7.482 8.310 -0.208 0.179 0.572 353 D N 0.643 120.951 120.400 -0.154 0.000 2.144 353 D HA -0.229 nan 4.640 nan 0.000 0.200 353 D C 1.663 177.862 176.300 -0.169 0.000 0.978 353 D CA 3.716 57.636 54.000 -0.134 0.000 0.833 353 D CB 0.078 40.827 40.800 -0.086 0.000 0.961 353 D HN 0.399 8.694 8.370 -0.124 0.000 0.470 354 E N -0.315 119.754 120.200 -0.219 0.000 2.150 354 E HA -0.216 nan 4.350 nan 0.000 0.193 354 E C 2.651 179.077 176.600 -0.290 0.000 0.985 354 E CA 1.773 58.054 56.400 -0.199 0.000 0.814 354 E CB -0.119 29.504 29.700 -0.129 0.000 0.752 354 E HN -0.609 7.599 8.360 -0.238 0.009 0.466 355 G N -0.483 107.983 108.800 -0.558 0.000 2.446 355 G HA2 -0.298 nan 3.960 nan 0.000 0.217 355 G HA3 -0.298 nan 3.960 nan 0.000 0.217 355 G C 1.592 176.459 174.900 -0.056 0.000 1.168 355 G CA 2.242 47.073 45.100 -0.448 0.000 0.771 355 G HN -0.330 7.487 8.290 -0.586 0.121 0.551 356 S N 1.551 117.139 115.700 -0.185 0.000 2.481 356 S HA -0.114 nan 4.470 nan 0.000 0.231 356 S C 1.189 175.653 174.600 -0.227 0.000 0.996 356 S CA 2.474 60.470 58.200 -0.340 0.000 0.942 356 S CB -0.050 62.960 63.200 -0.316 0.000 0.768 356 S HN -0.484 7.694 8.310 -0.220 0.000 0.520 357 K N -0.629 119.715 120.400 -0.094 0.000 2.459 357 K HA -0.054 nan 4.320 nan 0.000 0.193 357 K C 0.054 176.672 176.600 0.029 0.000 1.030 357 K CA 0.350 56.613 56.287 -0.039 0.000 1.026 357 K CB 0.231 32.715 32.500 -0.026 0.000 0.809 357 K HN -0.693 7.349 8.250 -0.094 0.151 0.504 358 Q N 1.521 121.385 119.800 0.107 0.000 2.324 358 Q HA 0.186 nan 4.340 nan 0.000 0.257 358 Q C -1.758 174.325 176.000 0.139 0.000 1.080 358 Q CA -2.038 53.853 55.803 0.145 0.000 0.907 358 Q CB -0.242 28.643 28.738 0.244 0.000 1.274 358 Q HN -0.632 7.617 8.270 0.118 0.091 0.434 359 P HA -0.069 nan 4.420 nan 0.000 0.271 359 P C 0.260 177.543 177.300 -0.027 0.000 1.233 359 P CA -0.456 62.663 63.100 0.032 0.000 0.789 359 P CB 1.094 32.784 31.700 -0.017 0.000 0.951 360 L N 0.812 122.029 121.223 -0.010 0.000 2.042 360 L HA -0.229 nan 4.340 nan 0.000 0.210 360 L C -0.395 176.417 176.870 -0.098 0.000 1.076 360 L CA 4.599 59.403 54.840 -0.060 0.000 0.749 360 L CB -2.194 39.868 42.059 0.005 0.000 0.893 360 L HN 0.596 8.849 8.230 0.038 0.000 0.432 361 P HA -0.350 nan 4.420 nan 0.000 0.217 361 P C 1.894 179.034 177.300 -0.267 0.000 1.158 361 P CA 3.156 66.115 63.100 -0.236 0.000 0.887 361 P CB -0.961 30.483 31.700 -0.428 0.000 0.792 362 K N -2.575 117.637 120.400 -0.314 0.000 2.167 362 K HA -0.116 nan 4.320 nan 0.000 0.203 362 K C 2.511 178.625 176.600 -0.810 0.000 1.052 362 K CA 1.598 57.576 56.287 -0.516 0.000 0.956 362 K CB -0.683 31.544 32.500 -0.455 0.000 0.735 362 K HN -0.565 7.442 8.250 -0.248 0.094 0.451 363 L N -0.283 120.631 121.223 -0.514 0.000 2.083 363 L HA -0.378 nan 4.340 nan 0.000 0.209 363 L C 1.912 178.626 176.870 -0.259 0.000 1.083 363 L CA 3.762 58.365 54.840 -0.396 0.000 0.752 363 L CB -0.178 41.715 42.059 -0.277 0.000 0.899 363 L HN -0.458 7.567 8.230 -0.343 0.000 0.433 364 I N -0.148 120.272 120.570 -0.251 0.000 2.142 364 I HA -0.686 nan 4.170 nan 0.000 0.240 364 I C 1.760 177.805 176.117 -0.121 0.000 1.078 364 I CA 4.617 65.787 61.300 -0.216 0.000 1.343 364 I CB -0.339 37.506 38.000 -0.259 0.000 1.046 364 I HN -0.128 7.847 8.210 -0.255 0.082 0.405 365 D N -0.378 119.932 120.400 -0.150 0.000 2.228 365 D HA -0.316 nan 4.640 nan 0.000 0.203 365 D C 2.380 178.741 176.300 0.102 0.000 0.988 365 D CA 4.216 58.174 54.000 -0.071 0.000 0.864 365 D CB -0.182 40.521 40.800 -0.160 0.000 0.928 365 D HN -0.345 7.895 8.370 -0.217 0.000 0.469 366 F N -1.069 118.838 119.950 -0.072 0.000 2.060 366 F HA -0.215 nan 4.527 nan 0.000 0.295 366 F C 2.124 177.892 175.800 -0.052 0.000 1.120 366 F CA 1.717 59.673 58.000 -0.074 0.000 1.205 366 F CB -0.436 38.514 39.000 -0.085 0.000 0.986 366 F HN -0.961 7.106 8.300 -0.177 0.127 0.470 367 S N 0.459 116.255 115.700 0.160 0.000 2.380 367 S HA -0.529 nan 4.470 nan 0.000 0.229 367 S C 2.098 176.819 174.600 0.201 0.000 1.043 367 S CA 3.624 61.883 58.200 0.097 0.000 1.038 367 S CB -0.279 62.928 63.200 0.011 0.000 0.872 367 S HN -0.060 8.329 8.310 0.132 0.000 0.456 368 A N 0.506 123.403 122.820 0.128 0.000 1.855 368 A HA -0.276 nan 4.320 nan 0.000 0.215 368 A C 1.868 179.519 177.584 0.111 0.000 1.191 368 A CA 3.061 55.164 52.037 0.110 0.000 0.613 368 A CB -1.016 18.021 19.000 0.063 0.000 0.829 368 A HN 0.431 8.394 8.150 0.098 0.245 0.442 369 Q N -0.930 118.933 119.800 0.105 0.000 2.061 369 Q HA -0.375 nan 4.340 nan 0.000 0.204 369 Q C 2.676 178.711 176.000 0.059 0.000 0.984 369 Q CA 3.108 58.951 55.803 0.065 0.000 0.846 369 Q CB 0.076 28.850 28.738 0.059 0.000 0.902 369 Q HN -0.450 7.718 8.270 0.128 0.179 0.421 370 I N -0.889 119.734 120.570 0.089 0.000 2.163 370 I HA -0.542 nan 4.170 nan 0.000 0.243 370 I C 1.576 177.771 176.117 0.131 0.000 1.085 370 I CA 3.778 65.140 61.300 0.104 0.000 1.347 370 I CB -0.280 37.815 38.000 0.157 0.000 1.044 370 I HN 0.117 8.392 8.210 0.108 0.000 0.408 371 A N -0.906 122.049 122.820 0.226 0.000 1.933 371 A HA -0.367 nan 4.320 nan 0.000 0.218 371 A C 1.888 179.448 177.584 -0.039 0.000 1.175 371 A CA 3.259 55.305 52.037 0.015 0.000 0.628 371 A CB -1.162 17.834 19.000 -0.006 0.000 0.814 371 A HN 0.124 8.371 8.150 0.291 0.076 0.444 372 E N -2.045 118.175 120.200 0.033 0.000 2.136 372 E HA -0.479 nan 4.350 nan 0.000 0.202 372 E C 2.851 179.465 176.600 0.022 0.000 1.019 372 E CA 3.044 59.478 56.400 0.056 0.000 0.819 372 E CB -0.311 29.456 29.700 0.111 0.000 0.739 372 E HN 0.122 8.514 8.360 0.069 0.009 0.458 373 G N -1.361 107.437 108.800 -0.002 0.000 2.414 373 G HA2 -0.271 nan 3.960 nan 0.000 0.215 373 G HA3 -0.271 nan 3.960 nan 0.000 0.215 373 G C 1.364 176.155 174.900 -0.181 0.000 1.188 373 G CA 1.678 46.728 45.100 -0.083 0.000 0.783 373 G HN -0.496 7.665 8.290 0.006 0.133 0.537 374 M N 2.001 121.417 119.600 -0.307 0.000 2.108 374 M HA -0.428 nan 4.480 nan 0.000 0.257 374 M C 2.445 178.501 176.300 -0.406 0.000 1.071 374 M CA 1.734 56.657 55.300 -0.630 0.000 1.093 374 M CB -1.177 30.683 32.600 -1.233 0.000 1.345 374 M HN -0.338 7.800 8.290 -0.254 0.000 0.403 375 A N -1.095 121.638 122.820 -0.145 0.000 1.908 375 A HA -0.274 nan 4.320 nan 0.000 0.218 375 A C 1.606 179.192 177.584 0.004 0.000 1.181 375 A CA 3.264 55.328 52.037 0.046 0.000 0.627 375 A CB -1.223 17.816 19.000 0.065 0.000 0.818 375 A HN 0.101 8.155 8.150 -0.161 -0.000 0.445 376 F N -0.217 119.583 119.950 -0.249 0.000 2.161 376 F HA -0.347 nan 4.527 nan 0.000 0.300 376 F C 1.471 177.184 175.800 -0.145 0.000 1.089 376 F CA 2.989 60.815 58.000 -0.289 0.000 1.282 376 F CB 0.135 38.745 39.000 -0.651 0.000 1.010 376 F HN -0.834 7.343 8.300 -0.046 0.095 0.485 377 I N -1.673 118.892 120.570 -0.008 0.000 2.394 377 I HA -0.613 nan 4.170 nan 0.000 0.251 377 I C 1.294 177.409 176.117 -0.002 0.000 1.136 377 I CA 4.053 65.361 61.300 0.013 0.000 1.425 377 I CB -0.327 37.684 38.000 0.019 0.000 1.079 377 I HN 0.354 8.430 8.210 -0.016 0.124 0.425 378 E N 0.162 120.367 120.200 0.008 0.000 2.072 378 E HA -0.362 nan 4.350 nan 0.000 0.190 378 E C 2.735 179.326 176.600 -0.016 0.000 0.982 378 E CA 3.371 59.809 56.400 0.063 0.000 0.803 378 E CB -0.207 29.598 29.700 0.175 0.000 0.755 378 E HN 0.004 8.248 8.360 -0.006 0.113 0.453 379 Q N 0.735 120.480 119.800 -0.092 0.000 2.170 379 Q HA -0.217 nan 4.340 nan 0.000 0.203 379 Q C 1.891 177.783 176.000 -0.180 0.000 0.976 379 Q CA 2.138 57.863 55.803 -0.130 0.000 0.858 379 Q CB -0.160 28.476 28.738 -0.169 0.000 0.907 379 Q HN -0.026 8.180 8.270 -0.107 0.000 0.433 380 R N -2.776 117.562 120.500 -0.269 0.000 2.363 380 R HA 0.053 nan 4.340 nan 0.000 0.236 380 R C -0.561 175.699 176.300 -0.067 0.000 0.966 380 R CA -1.248 54.711 56.100 -0.235 0.000 1.100 380 R CB -0.832 29.230 30.300 -0.397 0.000 1.125 380 R HN -0.312 7.750 8.270 -0.325 0.013 0.514 381 N N -3.961 114.731 118.700 -0.013 0.000 2.765 381 N HA -0.531 nan 4.740 nan 0.000 0.248 381 N C -0.724 174.877 175.510 0.152 0.000 1.063 381 N CA 2.232 55.316 53.050 0.056 0.000 0.862 381 N CB -1.167 37.342 38.487 0.036 0.000 1.145 381 N HN -0.136 8.009 8.380 -0.038 0.212 0.581 382 Y N -1.040 119.252 120.300 -0.012 0.000 2.340 382 Y HA 0.026 nan 4.550 nan 0.000 0.327 382 Y C -0.763 175.170 175.900 0.056 0.000 1.321 382 Y CA -0.680 57.432 58.100 0.021 0.000 1.433 382 Y CB 1.408 39.885 38.460 0.028 0.000 1.373 382 Y HN -0.390 7.958 8.280 0.193 0.047 0.538 383 I N 0.377 120.688 120.570 -0.432 0.000 2.846 383 I HA 0.304 nan 4.170 nan 0.000 0.307 383 I C -1.828 174.009 176.117 -0.466 0.000 1.053 383 I CA -1.091 60.031 61.300 -0.297 0.000 1.050 383 I CB 3.280 41.163 38.000 -0.195 0.000 1.239 383 I HN -0.161 7.354 8.210 -1.159 0.000 0.439 384 H N 4.371 123.284 119.070 -0.261 0.000 2.736 384 H HA 0.296 nan 4.556 nan 0.000 0.271 384 H C 0.108 175.357 175.328 -0.132 0.000 1.184 384 H CA -1.886 54.057 56.048 -0.175 0.000 1.378 384 H CB 0.319 30.035 29.762 -0.077 0.000 1.428 384 H HN 0.557 9.167 8.280 -0.005 -0.333 0.500 385 R N 6.248 126.629 120.500 -0.198 0.000 2.421 385 R HA -0.281 nan 4.340 nan 0.000 0.208 385 R C -0.448 175.708 176.300 -0.239 0.000 1.103 385 R CA 1.254 57.163 56.100 -0.317 0.000 1.065 385 R CB -0.459 29.489 30.300 -0.586 0.000 0.839 385 R HN 0.130 8.295 8.270 -0.176 0.000 0.480 386 D N -2.807 117.349 120.400 -0.407 0.000 2.803 386 D HA 0.031 nan 4.640 nan 0.000 0.218 386 D C -1.887 174.083 176.300 -0.549 0.000 1.245 386 D CA -0.810 52.993 54.000 -0.329 0.000 0.821 386 D CB 2.237 42.870 40.800 -0.277 0.000 1.626 386 D HN -0.384 7.442 8.370 -0.743 0.099 0.487 387 L N 1.956 123.043 121.223 -0.225 0.000 2.491 387 L HA 0.215 nan 4.340 nan 0.000 0.267 387 L C -2.132 174.696 176.870 -0.069 0.000 0.971 387 L CA -0.367 54.390 54.840 -0.138 0.000 0.857 387 L CB 1.864 43.947 42.059 0.041 0.000 1.226 387 L HN 0.017 8.207 8.230 -0.067 0.000 0.408 388 R N -0.772 119.625 120.500 -0.172 0.000 2.766 388 R HA 0.267 nan 4.340 nan 0.000 0.270 388 R C -0.422 175.793 176.300 -0.140 0.000 1.035 388 R CA -1.643 54.298 56.100 -0.264 0.000 0.911 388 R CB 2.329 32.098 30.300 -0.886 0.000 1.243 388 R HN -0.435 7.761 8.270 -0.124 0.000 0.460 389 A N -0.414 122.360 122.820 -0.076 0.000 2.024 389 A HA -0.243 nan 4.320 nan 0.000 0.220 389 A C 1.340 178.870 177.584 -0.090 0.000 1.164 389 A CA 3.260 55.262 52.037 -0.057 0.000 0.643 389 A CB -0.630 18.369 19.000 -0.000 0.000 0.806 389 A HN 0.292 8.719 8.150 0.003 -0.275 0.451 390 A N -2.014 120.721 122.820 -0.143 0.000 1.933 390 A HA -0.199 nan 4.320 nan 0.000 0.218 390 A C 1.107 178.626 177.584 -0.108 0.000 1.175 390 A CA 2.409 54.361 52.037 -0.142 0.000 0.628 390 A CB -0.247 18.618 19.000 -0.225 0.000 0.814 390 A HN 0.301 8.305 8.150 -0.197 0.028 0.444 391 N N -3.751 114.893 118.700 -0.094 0.000 2.320 391 N HA 0.191 nan 4.740 nan 0.000 0.237 391 N C -2.067 173.417 175.510 -0.044 0.000 1.129 391 N CA -0.203 52.830 53.050 -0.027 0.000 0.854 391 N CB 0.480 39.014 38.487 0.078 0.000 1.083 391 N HN -0.262 7.931 8.380 -0.123 0.113 0.504 392 I N -1.025 119.493 120.570 -0.087 0.000 2.465 392 I HA 0.625 nan 4.170 nan 0.000 0.291 392 I C -1.721 174.305 176.117 -0.151 0.000 1.014 392 I CA -1.744 59.479 61.300 -0.129 0.000 1.093 392 I CB 1.729 39.647 38.000 -0.137 0.000 1.267 392 I HN -0.727 7.323 8.210 -0.092 0.105 0.431 393 L N 5.205 126.317 121.223 -0.186 0.000 2.323 393 L HA 0.792 nan 4.340 nan 0.000 0.265 393 L C -1.540 175.163 176.870 -0.278 0.000 1.012 393 L CA -1.337 53.380 54.840 -0.206 0.000 0.820 393 L CB 3.306 45.252 42.059 -0.189 0.000 1.334 393 L HN 0.956 8.961 8.230 -0.197 0.107 0.427 394 V N -1.123 118.600 119.914 -0.318 0.000 2.487 394 V HA 0.573 nan 4.120 nan 0.000 0.298 394 V C -0.885 175.008 176.094 -0.335 0.000 1.028 394 V CA -2.314 59.740 62.300 -0.410 0.000 0.860 394 V CB 1.010 32.449 31.823 -0.639 0.000 0.991 394 V HN 0.585 8.608 8.190 -0.279 0.000 0.427 395 S N 6.205 121.733 115.700 -0.286 0.000 2.606 395 S HA 0.129 nan 4.470 nan 0.000 0.257 395 S C 1.359 175.847 174.600 -0.187 0.000 1.327 395 S CA 0.089 58.158 58.200 -0.218 0.000 0.984 395 S CB 1.793 64.893 63.200 -0.167 0.000 0.941 395 S HN 0.505 8.525 8.310 -0.292 0.115 0.576 396 A N 1.340 124.088 122.820 -0.119 0.000 1.892 396 A HA -0.248 nan 4.320 nan 0.000 0.218 396 A C 1.205 178.755 177.584 -0.055 0.000 1.188 396 A CA 3.115 55.117 52.037 -0.058 0.000 0.631 396 A CB -0.513 18.483 19.000 -0.007 0.000 0.822 396 A HN 0.761 8.846 8.150 -0.109 0.000 0.447 397 S N -4.706 110.956 115.700 -0.064 0.000 2.607 397 S HA -0.096 nan 4.470 nan 0.000 0.224 397 S C 0.210 174.775 174.600 -0.058 0.000 0.969 397 S CA -0.014 58.157 58.200 -0.048 0.000 0.927 397 S CB 0.181 63.353 63.200 -0.046 0.000 0.772 397 S HN -0.711 7.544 8.310 -0.075 0.010 0.533 398 L N -3.525 117.626 121.223 -0.121 0.000 3.814 398 L HA -0.326 nan 4.340 nan 0.000 0.408 398 L C -1.618 175.176 176.870 -0.126 0.000 1.213 398 L CA 0.121 54.871 54.840 -0.151 0.000 0.876 398 L CB -1.669 40.395 42.059 0.009 0.000 2.047 398 L HN -0.567 7.372 8.230 -0.155 0.198 0.737 399 V N -1.366 118.437 119.914 -0.185 0.000 2.370 399 V HA 0.201 nan 4.120 nan 0.000 0.283 399 V C -0.246 175.694 176.094 -0.257 0.000 1.023 399 V CA -1.205 60.995 62.300 -0.167 0.000 0.857 399 V CB 1.468 33.207 31.823 -0.140 0.000 0.985 399 V HN -0.667 7.401 8.190 -0.203 0.000 0.443 400 C N 10.087 129.218 119.300 -0.282 0.000 2.463 400 C HA 0.480 nan 4.460 nan 0.000 0.380 400 C C -0.581 174.272 174.990 -0.229 0.000 1.264 400 C CA -0.650 58.177 59.018 -0.318 0.000 2.161 400 C CB -0.094 27.438 27.740 -0.346 0.000 2.515 400 C HN 0.274 8.584 8.230 -0.216 -0.210 0.565 401 K N 2.248 122.512 120.400 -0.227 0.000 2.498 401 K HA 0.510 nan 4.320 nan 0.000 0.254 401 K C -1.681 174.785 176.600 -0.223 0.000 0.933 401 K CA -1.520 54.639 56.287 -0.213 0.000 0.806 401 K CB 3.998 36.378 32.500 -0.200 0.000 1.301 401 K HN 0.677 8.781 8.250 -0.244 0.000 0.432 402 I N 1.269 121.670 120.570 -0.282 0.000 2.720 402 I HA 0.568 nan 4.170 nan 0.000 0.287 402 I C -1.486 174.388 176.117 -0.405 0.000 1.090 402 I CA 0.040 61.125 61.300 -0.357 0.000 1.384 402 I CB 0.859 38.564 38.000 -0.490 0.000 1.420 402 I HN -0.195 7.838 8.210 -0.295 0.000 0.575 403 A N 2.773 125.430 122.820 -0.273 0.000 2.569 403 A HA 0.222 nan 4.320 nan 0.000 0.290 403 A C -2.602 175.073 177.584 0.152 0.000 1.136 403 A CA -0.859 51.185 52.037 0.011 0.000 0.710 403 A CB 2.316 21.331 19.000 0.025 0.000 1.303 403 A HN 0.423 8.436 8.150 -0.228 0.000 0.413 404 D N -3.356 117.245 120.400 0.335 0.000 2.812 404 D HA -0.282 nan 4.640 nan 0.000 0.237 404 D C -0.722 175.772 176.300 0.324 0.000 1.162 404 D CA 1.267 55.422 54.000 0.259 0.000 0.740 404 D CB -2.041 38.870 40.800 0.185 0.000 1.000 404 D HN 0.084 8.647 8.370 0.322 0.000 0.416 405 F N -1.689 118.215 119.950 -0.077 0.000 2.085 405 F HA -0.033 nan 4.527 nan 0.000 0.284 405 F C 1.680 177.552 175.800 0.119 0.000 1.127 405 F CA -0.875 57.044 58.000 -0.135 0.000 1.164 405 F CB -0.303 38.658 39.000 -0.065 0.000 1.035 405 F HN -0.191 8.247 8.300 0.231 0.000 0.481 406 G N -1.199 107.769 108.800 0.281 0.000 2.351 406 G HA2 0.012 nan 3.960 nan 0.000 0.287 406 G HA3 0.012 nan 3.960 nan 0.000 0.287 406 G C -1.356 173.622 174.900 0.130 0.000 1.159 406 G CA -0.252 44.966 45.100 0.197 0.000 0.929 406 G HN -0.447 7.973 8.290 0.218 0.000 0.435 407 L N 5.980 127.242 121.223 0.065 0.000 2.401 407 L HA 0.155 nan 4.340 nan 0.000 0.263 407 L C -0.953 175.913 176.870 -0.008 0.000 1.004 407 L CA -0.517 54.352 54.840 0.049 0.000 0.881 407 L CB 2.078 44.161 42.059 0.041 0.000 1.219 407 L HN -0.089 8.146 8.230 0.008 0.000 0.441 408 A N 7.135 129.978 122.820 0.037 0.000 2.273 408 A HA 0.452 nan 4.320 nan 0.000 0.320 408 A C -1.103 176.496 177.584 0.025 0.000 1.358 408 A CA -0.115 51.935 52.037 0.023 0.000 0.910 408 A CB 0.355 19.386 19.000 0.053 0.000 1.159 408 A HN 0.383 8.589 8.150 0.094 0.000 0.526 409 R N 1.858 122.337 120.500 -0.035 0.000 3.151 409 R HA 0.766 nan 4.340 nan 0.000 0.231 409 R C -1.918 174.346 176.300 -0.060 0.000 1.511 409 R CA -0.509 55.538 56.100 -0.088 0.000 1.047 409 R CB 1.475 31.617 30.300 -0.264 0.000 1.565 409 R HN 0.244 8.489 8.270 -0.041 0.000 0.513 410 V N -1.631 118.241 119.914 -0.070 0.000 2.532 410 V HA 0.451 nan 4.120 nan 0.000 0.294 410 V C -1.378 174.723 176.094 0.011 0.000 1.036 410 V CA -0.238 62.053 62.300 -0.014 0.000 0.876 410 V CB 2.184 34.018 31.823 0.018 0.000 1.012 410 V HN 0.290 8.424 8.190 -0.094 0.000 0.432 423 K N -0.172 120.340 120.400 0.186 0.000 2.676 423 K HA 0.190 nan 4.320 nan 0.000 0.205 423 K C -1.854 174.874 176.600 0.214 0.000 1.084 423 K CA -0.539 55.848 56.287 0.167 0.000 1.057 423 K CB 0.085 32.649 32.500 0.107 0.000 0.791 423 K HN -0.005 8.374 8.250 0.214 0.000 0.484 424 F N 2.074 122.100 119.950 0.127 0.000 2.418 424 F HA 0.256 nan 4.527 nan 0.000 0.341 424 F C -0.718 175.180 175.800 0.163 0.000 1.120 424 F CA -2.728 55.359 58.000 0.144 0.000 1.232 424 F CB 1.648 40.729 39.000 0.136 0.000 1.175 424 F HN -0.792 7.737 8.300 0.391 0.006 0.569 425 P HA -0.227 nan 4.420 nan 0.000 0.229 425 P C 0.245 177.664 177.300 0.197 0.000 1.147 425 P CA 1.183 64.183 63.100 -0.167 0.000 0.766 425 P CB -1.006 30.477 31.700 -0.361 0.000 0.775 426 I N -3.012 117.706 120.570 0.247 0.000 3.642 426 I HA -0.697 nan 4.170 nan 0.000 0.171 426 I C 1.517 177.765 176.117 0.218 0.000 0.746 426 I CA 3.161 64.608 61.300 0.245 0.000 1.031 426 I CB -2.037 36.094 38.000 0.219 0.000 0.825 426 I HN -0.168 8.149 8.210 0.309 0.078 0.296 427 K N -0.863 119.669 120.400 0.220 0.000 2.280 427 K HA -0.276 nan 4.320 nan 0.000 0.202 427 K C 1.965 178.523 176.600 -0.070 0.000 1.047 427 K CA 2.907 59.238 56.287 0.073 0.000 0.942 427 K CB -0.384 31.953 32.500 -0.273 0.000 0.739 427 K HN -0.038 8.387 8.250 0.291 0.000 0.457 428 W N -2.706 118.674 121.300 0.132 0.000 3.330 428 W HA 0.187 nan 4.660 nan 0.000 0.348 428 W C -1.287 175.352 176.519 0.199 0.000 1.205 428 W CA -0.663 56.774 57.345 0.154 0.000 1.841 428 W CB 0.084 29.577 29.460 0.056 0.000 1.084 428 W HN 0.057 8.515 8.180 0.526 0.037 0.665 429 T N 0.057 114.781 114.554 0.284 0.000 2.885 429 T HA 0.368 nan 4.350 nan 0.000 0.285 429 T C -1.607 172.937 174.700 -0.261 0.000 1.019 429 T CA -1.312 60.855 62.100 0.112 0.000 1.010 429 T CB 2.702 71.631 68.868 0.102 0.000 1.022 429 T HN -0.360 7.866 8.240 0.240 0.158 0.466 430 A N 2.296 124.830 122.820 -0.477 0.000 2.401 430 A HA 0.384 nan 4.320 nan 0.000 0.259 430 A C -0.291 176.873 177.584 -0.700 0.000 1.103 430 A CA -3.032 48.351 52.037 -1.090 0.000 0.789 430 A CB -0.719 18.003 19.000 -0.462 0.000 1.035 430 A HN 0.302 8.359 8.150 -0.155 0.000 0.491 431 P HA -0.334 nan 4.420 nan 0.000 0.218 431 P C 0.660 177.835 177.300 -0.208 0.000 1.154 431 P CA 2.661 65.531 63.100 -0.384 0.000 0.872 431 P CB 0.080 31.579 31.700 -0.333 0.000 0.790 432 E N -3.140 116.976 120.200 -0.141 0.000 2.358 432 E HA -0.133 nan 4.350 nan 0.000 0.195 432 E C 1.564 178.149 176.600 -0.024 0.000 1.010 432 E CA 2.133 58.553 56.400 0.033 0.000 0.856 432 E CB -1.765 27.960 29.700 0.041 0.000 0.795 432 E HN 0.246 8.483 8.360 -0.205 0.000 0.504 433 A N -0.246 122.468 122.820 -0.177 0.000 1.872 433 A HA -0.189 nan 4.320 nan 0.000 0.214 433 A C 1.619 179.003 177.584 -0.332 0.000 1.187 433 A CA 2.631 54.449 52.037 -0.365 0.000 0.614 433 A CB -0.527 18.243 19.000 -0.384 0.000 0.826 433 A HN -0.501 7.489 8.150 -0.201 0.039 0.442 434 I N -1.139 119.300 120.570 -0.219 0.000 2.039 434 I HA -0.657 nan 4.170 nan 0.000 0.233 434 I C 2.609 178.594 176.117 -0.219 0.000 1.040 434 I CA 4.210 65.411 61.300 -0.165 0.000 1.308 434 I CB -0.373 37.541 38.000 -0.143 0.000 1.035 434 I HN -0.485 7.596 8.210 -0.215 0.000 0.392 435 N N -0.878 117.648 118.700 -0.289 0.000 2.364 435 N HA -0.220 nan 4.740 nan 0.000 0.183 435 N C 0.836 175.949 175.510 -0.662 0.000 1.022 435 N CA 2.634 55.358 53.050 -0.545 0.000 0.883 435 N CB 0.058 38.055 38.487 -0.817 0.000 0.965 435 N HN -0.345 7.887 8.380 -0.245 0.000 0.438 436 F N -5.003 114.865 119.950 -0.136 0.000 2.899 436 F HA 0.168 nan 4.527 nan 0.000 0.337 436 F C 0.270 175.992 175.800 -0.129 0.000 1.129 436 F CA -0.613 57.320 58.000 -0.111 0.000 1.128 436 F CB 0.764 39.712 39.000 -0.086 0.000 1.154 436 F HN -0.799 7.416 8.300 -0.076 0.040 0.531 437 G N 0.455 109.206 108.800 -0.082 0.000 2.166 437 G HA2 -0.401 nan 3.960 nan 0.000 0.260 437 G HA3 -0.401 nan 3.960 nan 0.000 0.260 437 G C -0.684 174.125 174.900 -0.152 0.000 0.986 437 G CA 0.517 45.517 45.100 -0.166 0.000 0.683 437 G HN -0.039 8.155 8.290 -0.160 0.000 0.527 438 S N 1.250 116.881 115.700 -0.115 0.000 2.422 438 S HA -0.024 nan 4.470 nan 0.000 0.283 438 S C -1.213 173.362 174.600 -0.042 0.000 1.163 438 S CA -0.115 58.078 58.200 -0.012 0.000 1.054 438 S CB 0.306 63.509 63.200 0.005 0.000 0.967 438 S HN -0.813 7.396 8.310 -0.100 0.042 0.499 439 F N 5.223 125.207 119.950 0.057 0.000 2.538 439 F HA 0.410 nan 4.527 nan 0.000 0.325 439 F C -0.565 175.266 175.800 0.050 0.000 1.066 439 F CA -0.871 57.163 58.000 0.056 0.000 0.946 439 F CB 3.417 42.447 39.000 0.050 0.000 1.199 439 F HN -0.271 8.229 8.300 0.333 0.000 0.473 440 T N -2.046 112.662 114.554 0.256 0.000 2.718 440 T HA 0.347 nan 4.350 nan 0.000 0.306 440 T C -0.025 174.783 174.700 0.180 0.000 1.485 440 T CA -1.060 61.142 62.100 0.169 0.000 0.997 440 T CB 2.572 71.517 68.868 0.129 0.000 1.504 440 T HN 0.513 8.931 8.240 0.297 0.000 0.497 441 I N -0.219 120.447 120.570 0.161 0.000 2.423 441 I HA -0.481 nan 4.170 nan 0.000 0.254 441 I C 1.149 177.418 176.117 0.253 0.000 1.151 441 I CA 3.356 64.791 61.300 0.226 0.000 1.421 441 I CB -0.409 37.717 38.000 0.209 0.000 1.079 441 I HN 0.429 8.717 8.210 0.131 0.000 0.431 442 K N -1.717 118.785 120.400 0.171 0.000 2.097 442 K HA -0.254 nan 4.320 nan 0.000 0.205 442 K C 2.190 178.932 176.600 0.238 0.000 1.050 442 K CA 2.784 59.163 56.287 0.153 0.000 0.938 442 K CB -1.249 31.320 32.500 0.115 0.000 0.718 442 K HN 0.004 8.313 8.250 0.145 0.028 0.442 443 S N 0.798 116.645 115.700 0.246 0.000 2.356 443 S HA -0.247 nan 4.470 nan 0.000 0.223 443 S C 2.094 176.926 174.600 0.386 0.000 1.032 443 S CA 3.789 62.160 58.200 0.285 0.000 1.005 443 S CB -0.465 62.900 63.200 0.275 0.000 0.867 443 S HN -0.064 8.253 8.310 0.219 0.125 0.449 444 D N 1.285 121.909 120.400 0.373 0.000 2.309 444 D HA -0.127 nan 4.640 nan 0.000 0.212 444 D C 2.401 179.094 176.300 0.656 0.000 0.968 444 D CA 2.852 57.121 54.000 0.448 0.000 0.882 444 D CB -0.438 40.580 40.800 0.362 0.000 0.918 444 D HN -0.483 8.011 8.370 0.324 0.071 0.503 445 V N 0.285 120.494 119.914 0.492 0.000 2.379 445 V HA -0.227 nan 4.120 nan 0.000 0.245 445 V C 1.484 177.812 176.094 0.390 0.000 1.044 445 V CA 3.964 66.420 62.300 0.259 0.000 1.036 445 V CB -0.926 30.806 31.823 -0.152 0.000 0.664 445 V HN -0.345 7.921 8.190 0.374 0.148 0.453 446 W N 0.207 121.673 121.300 0.277 0.000 2.317 446 W HA -0.490 nan 4.660 nan 0.000 0.318 446 W C 1.784 178.571 176.519 0.446 0.000 1.227 446 W CA 3.519 61.089 57.345 0.374 0.000 1.269 446 W CB -0.306 29.330 29.460 0.293 0.000 1.155 446 W HN -0.144 8.293 8.180 0.554 0.076 0.484 447 S N -1.068 115.050 115.700 0.696 0.000 2.359 447 S HA -0.426 nan 4.470 nan 0.000 0.224 447 S C 2.106 176.974 174.600 0.446 0.000 1.035 447 S CA 4.109 62.651 58.200 0.569 0.000 1.018 447 S CB -0.555 62.920 63.200 0.459 0.000 0.876 447 S HN -0.345 8.387 8.310 0.693 -0.006 0.448 448 F N 2.829 122.968 119.950 0.315 0.000 2.161 448 F HA -0.353 nan 4.527 nan 0.000 0.300 448 F C 1.288 177.148 175.800 0.101 0.000 1.089 448 F CA 3.218 61.360 58.000 0.237 0.000 1.282 448 F CB -0.033 39.203 39.000 0.393 0.000 1.010 448 F HN 0.318 8.816 8.300 0.671 0.204 0.485 449 G N -2.074 106.769 108.800 0.072 0.000 2.418 449 G HA2 -0.382 nan 3.960 nan 0.000 0.217 449 G HA3 -0.382 nan 3.960 nan 0.000 0.217 449 G C 1.172 176.002 174.900 -0.117 0.000 1.158 449 G CA 2.367 47.272 45.100 -0.325 0.000 0.771 449 G HN 0.102 8.429 8.290 0.221 0.095 0.545 450 I N 2.364 123.094 120.570 0.267 0.000 2.226 450 I HA -0.368 nan 4.170 nan 0.000 0.245 450 I C 1.619 177.745 176.117 0.015 0.000 1.100 450 I CA 2.070 63.484 61.300 0.190 0.000 1.374 450 I CB -0.842 37.175 38.000 0.028 0.000 1.057 450 I HN -0.709 7.662 8.210 0.311 0.026 0.413 451 L N 0.448 121.680 121.223 0.015 0.000 1.994 451 L HA -0.392 nan 4.340 nan 0.000 0.208 451 L C 2.087 178.832 176.870 -0.209 0.000 1.071 451 L CA 3.781 58.593 54.840 -0.047 0.000 0.745 451 L CB -0.121 41.852 42.059 -0.144 0.000 0.892 451 L HN -0.195 7.994 8.230 0.060 0.077 0.431 452 L N -2.577 118.401 121.223 -0.408 0.000 2.081 452 L HA -0.518 nan 4.340 nan 0.000 0.212 452 L C 2.426 179.168 176.870 -0.213 0.000 1.080 452 L CA 2.984 57.614 54.840 -0.350 0.000 0.754 452 L CB -0.725 41.104 42.059 -0.384 0.000 0.893 452 L HN 0.210 8.092 8.230 -0.580 0.000 0.433 453 M N -0.375 119.126 119.600 -0.165 0.000 2.059 453 M HA -0.406 nan 4.480 nan 0.000 0.259 453 M C 1.556 177.814 176.300 -0.070 0.000 1.072 453 M CA 2.497 57.745 55.300 -0.086 0.000 1.117 453 M CB -0.779 31.823 32.600 0.002 0.000 1.320 453 M HN 0.284 8.285 8.290 -0.181 0.181 0.408 454 E N -0.643 119.530 120.200 -0.045 0.000 2.160 454 E HA -0.388 nan 4.350 nan 0.000 0.195 454 E C 2.722 179.314 176.600 -0.014 0.000 0.991 454 E CA 2.979 59.385 56.400 0.010 0.000 0.810 454 E CB -0.367 29.401 29.700 0.112 0.000 0.742 454 E HN -0.060 8.079 8.360 -0.042 0.195 0.466 455 I N -1.010 119.521 120.570 -0.065 0.000 2.133 455 I HA -0.380 nan 4.170 nan 0.000 0.238 455 I C 2.302 178.300 176.117 -0.198 0.000 1.074 455 I CA 4.052 65.299 61.300 -0.089 0.000 1.342 455 I CB 0.117 38.065 38.000 -0.088 0.000 1.053 455 I HN 0.188 8.209 8.210 -0.092 0.134 0.404 456 V N -4.279 115.515 119.914 -0.201 0.000 2.594 456 V HA -0.297 nan 4.120 nan 0.000 0.253 456 V C 1.546 177.528 176.094 -0.186 0.000 1.069 456 V CA 3.254 65.401 62.300 -0.255 0.000 1.082 456 V CB -1.137 30.602 31.823 -0.140 0.000 0.680 456 V HN -0.068 8.027 8.190 -0.158 0.000 0.469 457 T N -4.750 109.769 114.554 -0.058 0.000 3.118 457 T HA -0.029 nan 4.350 nan 0.000 0.260 457 T C 0.779 175.600 174.700 0.202 0.000 1.139 457 T CA 0.297 62.437 62.100 0.067 0.000 1.085 457 T CB 0.261 69.153 68.868 0.039 0.000 0.934 457 T HN -0.422 7.747 8.240 -0.065 0.032 0.518 458 Y N 0.369 120.687 120.300 0.030 0.000 3.125 458 Y HA -0.586 nan 4.550 nan 0.000 0.200 458 Y C -0.046 175.873 175.900 0.031 0.000 1.373 458 Y CA 0.858 58.979 58.100 0.035 0.000 1.180 458 Y CB -3.031 35.440 38.460 0.018 0.000 1.381 458 Y HN 0.146 8.162 8.280 -0.091 0.209 0.501 459 G N -3.738 105.156 108.800 0.156 0.000 2.268 459 G HA2 -0.541 nan 3.960 nan 0.000 0.240 459 G HA3 -0.541 nan 3.960 nan 0.000 0.240 459 G C -0.986 173.978 174.900 0.106 0.000 1.010 459 G CA -0.397 44.776 45.100 0.121 0.000 0.618 459 G HN 0.129 8.485 8.290 0.111 0.000 0.516 460 R N 2.774 123.332 120.500 0.098 0.000 2.561 460 R HA -0.189 nan 4.340 nan 0.000 0.347 460 R C 0.053 176.379 176.300 0.044 0.000 0.916 460 R CA 0.730 56.871 56.100 0.070 0.000 1.063 460 R CB -0.255 30.084 30.300 0.066 0.000 0.916 460 R HN -0.577 7.577 8.270 0.122 0.189 0.410 461 I N 6.761 127.367 120.570 0.061 0.000 2.948 461 I HA -0.188 nan 4.170 nan 0.000 0.290 461 I C -1.091 174.957 176.117 -0.114 0.000 1.226 461 I CA -2.848 58.482 61.300 0.049 0.000 1.413 461 I CB -0.880 37.208 38.000 0.147 0.000 1.352 461 I HN -0.255 8.001 8.210 0.076 0.000 0.597 462 P HA -0.048 nan 4.420 nan 0.000 0.264 462 P C -1.606 175.456 177.300 -0.396 0.000 1.193 462 P CA 0.258 62.970 63.100 -0.647 0.000 0.763 462 P CB 0.304 31.281 31.700 -1.205 0.000 0.810 463 Y N -2.533 117.693 120.300 -0.124 0.000 2.973 463 Y HA -0.404 nan 4.550 nan 0.000 0.153 463 Y C -2.050 173.845 175.900 -0.008 0.000 1.748 463 Y CA -1.007 57.063 58.100 -0.049 0.000 0.920 463 Y CB -2.607 35.813 38.460 -0.065 0.000 1.478 463 Y HN -0.186 7.831 8.280 -0.439 0.000 0.366 464 P HA -0.178 nan 4.420 nan 0.000 0.256 464 P C 0.710 178.058 177.300 0.080 0.000 1.173 464 P CA 1.141 64.290 63.100 0.081 0.000 0.768 464 P CB -0.084 31.657 31.700 0.068 0.000 0.758 465 G N 3.828 112.667 108.800 0.066 0.000 2.336 465 G HA2 -0.288 nan 3.960 nan 0.000 0.233 465 G HA3 -0.288 nan 3.960 nan 0.000 0.233 465 G C -0.418 174.511 174.900 0.049 0.000 1.053 465 G CA -0.226 44.904 45.100 0.050 0.000 0.625 465 G HN 0.451 8.781 8.290 0.066 0.000 0.511 466 M N 1.644 121.283 119.600 0.065 0.000 2.250 466 M HA -0.020 nan 4.480 nan 0.000 0.325 466 M C -1.056 175.280 176.300 0.060 0.000 1.084 466 M CA 1.306 56.636 55.300 0.051 0.000 1.161 466 M CB 0.656 33.293 32.600 0.062 0.000 1.481 466 M HN -0.730 7.499 8.290 0.087 0.114 0.449 467 S N 1.371 117.095 115.700 0.040 0.000 2.649 467 S HA 0.255 nan 4.470 nan 0.000 0.274 467 S C -0.296 174.326 174.600 0.037 0.000 1.176 467 S CA -0.979 57.252 58.200 0.052 0.000 0.988 467 S CB 1.315 64.543 63.200 0.047 0.000 1.071 467 S HN 0.166 8.593 8.310 0.019 -0.106 0.478 468 N N 7.083 125.818 118.700 0.058 0.000 1.864 468 N HA -0.427 nan 4.740 nan 0.000 0.124 468 N C -0.908 174.614 175.510 0.021 0.000 0.200 468 N CA 4.270 57.355 53.050 0.058 0.000 1.465 468 N CB -3.076 35.462 38.487 0.086 0.000 0.787 468 N HN 0.785 9.214 8.380 0.081 0.000 1.136 469 P HA -0.091 nan 4.420 nan 0.000 0.219 469 P C 1.495 178.774 177.300 -0.035 0.000 1.150 469 P CA 1.922 65.011 63.100 -0.017 0.000 0.814 469 P CB -0.076 31.615 31.700 -0.015 0.000 0.787 470 E N -2.294 117.887 120.200 -0.032 0.000 2.187 470 E HA -0.424 nan 4.350 nan 0.000 0.199 470 E C 2.218 178.769 176.600 -0.082 0.000 1.004 470 E CA 3.198 59.568 56.400 -0.049 0.000 0.813 470 E CB -0.190 29.488 29.700 -0.036 0.000 0.736 470 E HN 0.412 8.680 8.360 -0.016 0.083 0.468 471 V N -5.569 114.283 119.914 -0.103 0.000 2.591 471 V HA -0.109 nan 4.120 nan 0.000 0.249 471 V C 1.356 177.372 176.094 -0.130 0.000 1.053 471 V CA 2.864 65.058 62.300 -0.177 0.000 1.068 471 V CB -0.677 30.967 31.823 -0.298 0.000 0.689 471 V HN -0.751 7.353 8.190 -0.075 0.041 0.462 472 I N -1.432 119.083 120.570 -0.091 0.000 2.361 472 I HA -0.451 nan 4.170 nan 0.000 0.251 472 I C 1.515 177.591 176.117 -0.069 0.000 1.133 472 I CA 3.155 64.405 61.300 -0.083 0.000 1.413 472 I CB -1.139 36.818 38.000 -0.073 0.000 1.073 472 I HN -0.272 7.781 8.210 -0.075 0.112 0.424 473 R N -0.103 120.359 120.500 -0.064 0.000 2.075 473 R HA -0.348 nan 4.340 nan 0.000 0.232 473 R C 2.249 178.521 176.300 -0.047 0.000 1.126 473 R CA 3.608 59.676 56.100 -0.053 0.000 0.963 473 R CB -0.502 29.765 30.300 -0.056 0.000 0.858 473 R HN -0.649 7.561 8.270 -0.067 0.020 0.435 474 A N 0.216 123.003 122.820 -0.055 0.000 1.902 474 A HA -0.191 nan 4.320 nan 0.000 0.217 474 A C 2.466 180.060 177.584 0.018 0.000 1.181 474 A CA 3.006 55.038 52.037 -0.008 0.000 0.623 474 A CB -0.796 18.217 19.000 0.022 0.000 0.818 474 A HN -0.617 7.405 8.150 -0.076 0.082 0.443 475 L N -3.090 118.114 121.223 -0.032 0.000 2.156 475 L HA -0.333 nan 4.340 nan 0.000 0.208 475 L C 3.307 180.175 176.870 -0.002 0.000 1.095 475 L CA 2.712 57.543 54.840 -0.015 0.000 0.770 475 L CB -0.618 41.401 42.059 -0.066 0.000 0.914 475 L HN 0.456 8.642 8.230 -0.072 0.000 0.439 476 E N 0.600 120.788 120.200 -0.019 0.000 2.110 476 E HA -0.205 nan 4.350 nan 0.000 0.193 476 E C 1.192 177.798 176.600 0.010 0.000 0.988 476 E CA 2.543 58.937 56.400 -0.011 0.000 0.804 476 E CB -0.441 29.244 29.700 -0.024 0.000 0.745 476 E HN 0.049 8.387 8.360 -0.036 0.000 0.458 477 R N -2.146 118.364 120.500 0.016 0.000 2.356 477 R HA 0.106 nan 4.340 nan 0.000 0.234 477 R C 0.536 176.878 176.300 0.069 0.000 0.929 477 R CA -0.780 55.340 56.100 0.033 0.000 1.084 477 R CB -0.442 29.868 30.300 0.016 0.000 1.105 477 R HN -0.081 8.111 8.270 0.006 0.083 0.515 478 G N -0.576 108.272 108.800 0.081 0.000 2.198 478 G HA2 -0.466 nan 3.960 nan 0.000 0.260 478 G HA3 -0.466 nan 3.960 nan 0.000 0.260 478 G C -0.894 174.091 174.900 0.142 0.000 1.025 478 G CA 0.323 45.487 45.100 0.108 0.000 0.769 478 G HN -0.469 7.653 8.290 0.062 0.205 0.507 479 Y N -0.315 119.987 120.300 0.003 0.000 2.301 479 Y HA -0.041 nan 4.550 nan 0.000 0.328 479 Y C -1.178 174.716 175.900 -0.010 0.000 1.242 479 Y CA 0.058 58.158 58.100 -0.000 0.000 1.323 479 Y CB 1.193 39.630 38.460 -0.038 0.000 1.266 479 Y HN -0.310 8.093 8.280 0.205 0.000 0.527 480 R N 5.670 125.706 120.500 -0.773 0.000 2.698 480 R HA 0.253 nan 4.340 nan 0.000 0.275 480 R C -1.769 174.009 176.300 -0.870 0.000 1.001 480 R CA -2.225 53.474 56.100 -0.668 0.000 0.896 480 R CB 2.360 32.566 30.300 -0.157 0.000 1.218 480 R HN 0.052 7.873 8.270 -0.747 0.000 0.462 481 M N 0.715 120.038 119.600 -0.462 0.000 2.243 481 M HA 0.375 nan 4.480 nan 0.000 0.341 481 M C -1.656 174.724 176.300 0.133 0.000 1.130 481 M CA -1.207 54.004 55.300 -0.149 0.000 1.162 481 M CB -0.365 32.270 32.600 0.059 0.000 1.497 481 M HN 0.137 8.221 8.290 -0.344 0.000 0.456 482 P HA 0.026 nan 4.420 nan 0.000 0.289 482 P C -1.348 176.087 177.300 0.226 0.000 1.299 482 P CA -0.861 62.339 63.100 0.167 0.000 0.766 482 P CB 0.672 32.436 31.700 0.107 0.000 1.226 483 R N -0.990 119.475 120.500 -0.058 0.000 2.248 483 R HA 0.229 nan 4.340 nan 0.000 0.328 483 R C -1.450 174.890 176.300 0.067 0.000 1.067 483 R CA -1.638 54.468 56.100 0.009 0.000 0.924 483 R CB -0.105 30.033 30.300 -0.269 0.000 1.013 483 R HN 0.207 8.356 8.270 -0.202 0.000 0.454 484 P HA -0.069 nan 4.420 nan 0.000 0.260 484 P C -0.182 177.155 177.300 0.062 0.000 1.172 484 P CA -0.072 63.079 63.100 0.084 0.000 0.760 484 P CB 0.808 32.560 31.700 0.087 0.000 0.773 485 E N 4.967 125.197 120.200 0.049 0.000 2.209 485 E HA -0.338 nan 4.350 nan 0.000 0.196 485 E C 1.215 177.843 176.600 0.047 0.000 0.993 485 E CA 2.972 59.395 56.400 0.038 0.000 0.819 485 E CB -0.380 29.340 29.700 0.034 0.000 0.745 485 E HN 0.638 9.029 8.360 0.051 0.000 0.477 486 N N -3.316 115.421 118.700 0.062 0.000 2.463 486 N HA -0.106 nan 4.740 nan 0.000 0.181 486 N C -0.074 175.471 175.510 0.059 0.000 1.078 486 N CA 0.163 53.255 53.050 0.070 0.000 0.902 486 N CB -0.498 38.053 38.487 0.105 0.000 0.970 486 N HN -0.087 8.289 8.380 0.069 0.045 0.451 487 C N 4.005 123.338 119.300 0.055 0.000 2.539 487 C HA 0.435 nan 4.460 nan 0.000 0.392 487 C C -1.907 173.121 174.990 0.064 0.000 1.269 487 C CA -2.215 56.835 59.018 0.052 0.000 2.250 487 C CB 0.126 27.913 27.740 0.078 0.000 2.584 487 C HN -0.108 7.976 8.230 0.059 0.182 0.589 488 P HA 0.223 nan 4.420 nan 0.000 0.284 488 P C -0.109 177.253 177.300 0.103 0.000 1.258 488 P CA -0.498 62.657 63.100 0.091 0.000 0.824 488 P CB 1.429 33.210 31.700 0.134 0.000 1.038 489 E N 2.562 122.804 120.200 0.069 0.000 2.058 489 E HA -0.451 nan 4.350 nan 0.000 0.194 489 E C 1.914 178.579 176.600 0.109 0.000 0.997 489 E CA 3.570 60.013 56.400 0.071 0.000 0.801 489 E CB -0.812 28.900 29.700 0.020 0.000 0.746 489 E HN 0.701 9.087 8.360 0.045 0.000 0.450 490 E N -2.671 117.576 120.200 0.079 0.000 2.160 490 E HA -0.283 nan 4.350 nan 0.000 0.195 490 E C 2.278 178.974 176.600 0.160 0.000 0.991 490 E CA 2.930 59.371 56.400 0.068 0.000 0.810 490 E CB -0.803 28.852 29.700 -0.077 0.000 0.742 490 E HN 0.497 8.887 8.360 0.050 0.000 0.466 491 L N -1.493 119.858 121.223 0.213 0.000 2.162 491 L HA -0.134 nan 4.340 nan 0.000 0.205 491 L C 0.963 177.826 176.870 -0.013 0.000 1.086 491 L CA 1.627 56.529 54.840 0.103 0.000 0.778 491 L CB -0.204 41.839 42.059 -0.027 0.000 0.928 491 L HN -0.730 7.592 8.230 0.210 0.034 0.446 492 Y N 0.105 120.377 120.300 -0.047 0.000 2.081 492 Y HA -0.674 nan 4.550 nan 0.000 0.280 492 Y C 1.528 177.347 175.900 -0.135 0.000 1.163 492 Y CA 4.322 62.368 58.100 -0.090 0.000 1.135 492 Y CB -0.567 37.869 38.460 -0.040 0.000 0.970 492 Y HN -0.410 7.900 8.280 0.184 0.080 0.498 493 N N -1.339 117.408 118.700 0.077 0.000 2.060 493 N HA -0.428 nan 4.740 nan 0.000 0.195 493 N C 2.083 177.512 175.510 -0.135 0.000 1.028 493 N CA 3.959 57.021 53.050 0.019 0.000 0.861 493 N CB -0.048 38.479 38.487 0.067 0.000 1.029 493 N HN -0.281 8.222 8.380 0.195 -0.006 0.428 494 I N -1.946 118.546 120.570 -0.130 0.000 2.361 494 I HA -0.408 nan 4.170 nan 0.000 0.251 494 I C 1.934 177.816 176.117 -0.391 0.000 1.133 494 I CA 2.467 63.675 61.300 -0.153 0.000 1.413 494 I CB -1.001 36.963 38.000 -0.061 0.000 1.073 494 I HN -0.690 7.380 8.210 -0.064 0.101 0.424 495 M N -0.890 118.317 119.600 -0.656 0.000 2.086 495 M HA -0.454 nan 4.480 nan 0.000 0.261 495 M C 2.266 177.583 176.300 -1.638 0.000 1.067 495 M CA 3.793 58.329 55.300 -1.273 0.000 1.116 495 M CB -0.133 31.584 32.600 -1.472 0.000 1.348 495 M HN -0.380 7.461 8.290 -0.556 0.116 0.407 496 M N -1.024 117.959 119.600 -1.029 0.000 2.159 496 M HA -0.292 nan 4.480 nan 0.000 0.263 496 M C 2.603 178.710 176.300 -0.322 0.000 1.063 496 M CA 2.295 57.276 55.300 -0.532 0.000 1.110 496 M CB -0.561 31.879 32.600 -0.267 0.000 1.374 496 M HN 0.225 7.892 8.290 -0.863 0.105 0.411 497 R N -2.895 117.431 120.500 -0.289 0.000 2.276 497 R HA -0.133 nan 4.340 nan 0.000 0.203 497 R C 0.673 176.859 176.300 -0.189 0.000 1.017 497 R CA 2.028 58.032 56.100 -0.160 0.000 1.010 497 R CB -0.226 30.018 30.300 -0.092 0.000 0.900 497 R HN 0.056 8.043 8.270 -0.317 0.093 0.469 498 C N -3.189 115.880 119.300 -0.385 0.000 2.467 498 C HA -0.015 nan 4.460 nan 0.000 0.279 498 C C 0.969 175.854 174.990 -0.175 0.000 1.347 498 C CA 0.723 59.560 59.018 -0.301 0.000 1.748 498 C CB -0.246 27.216 27.740 -0.464 0.000 1.977 498 C HN -0.435 7.296 8.230 -0.597 0.141 0.501 499 W N 0.547 121.514 121.300 -0.555 0.000 1.603 499 W HA 0.142 nan 4.660 nan 0.000 0.392 499 W C -1.324 175.089 176.519 -0.177 0.000 0.661 499 W CA -2.838 53.987 57.345 -0.867 0.000 2.021 499 W CB -2.373 26.602 29.460 -0.809 0.000 1.759 499 W HN -0.453 7.308 8.180 -0.447 0.151 0.334 500 K N 0.682 121.252 120.400 0.284 0.000 2.270 500 K HA 0.262 nan 4.320 nan 0.000 0.255 500 K C -0.356 176.491 176.600 0.412 0.000 0.936 500 K CA -2.117 54.330 56.287 0.266 0.000 0.809 500 K CB 2.205 34.790 32.500 0.142 0.000 1.131 500 K HN -0.409 7.997 8.250 0.364 0.062 0.427 501 N N 5.184 124.058 118.700 0.289 0.000 2.300 501 N HA -0.198 nan 4.740 nan 0.000 0.179 501 N C -0.537 175.060 175.510 0.146 0.000 1.016 501 N CA 2.001 55.184 53.050 0.222 0.000 0.876 501 N CB 0.443 39.018 38.487 0.146 0.000 0.979 501 N HN 0.395 8.917 8.380 0.236 0.000 0.432 502 R N -0.012 120.559 120.500 0.118 0.000 2.242 502 R HA 0.199 nan 4.340 nan 0.000 0.334 502 R C -0.977 175.375 176.300 0.087 0.000 1.071 502 R CA -1.876 54.270 56.100 0.076 0.000 0.922 502 R CB -0.266 30.064 30.300 0.048 0.000 1.023 502 R HN -0.299 8.045 8.270 0.124 0.000 0.458 503 P HA -0.285 nan 4.420 nan 0.000 0.217 503 P C 1.067 178.395 177.300 0.047 0.000 1.151 503 P CA 2.675 65.826 63.100 0.086 0.000 0.849 503 P CB 0.117 31.859 31.700 0.070 0.000 0.787 504 E N -4.239 115.978 120.200 0.028 0.000 2.209 504 E HA -0.221 nan 4.350 nan 0.000 0.196 504 E C 1.143 177.738 176.600 -0.008 0.000 0.993 504 E CA 2.420 58.824 56.400 0.006 0.000 0.819 504 E CB -0.618 29.083 29.700 0.002 0.000 0.745 504 E HN 0.381 8.725 8.360 0.031 0.035 0.477 505 E N -2.624 117.576 120.200 0.001 0.000 2.939 505 E HA 0.271 nan 4.350 nan 0.000 0.215 505 E C -1.043 175.541 176.600 -0.028 0.000 1.025 505 E CA -1.318 55.068 56.400 -0.023 0.000 1.259 505 E CB 0.003 29.694 29.700 -0.015 0.000 1.228 505 E HN -0.387 7.843 8.360 0.024 0.144 0.443 506 R N -0.616 119.867 120.500 -0.028 0.000 2.604 506 R HA 0.490 nan 4.340 nan 0.000 0.287 506 R C -2.807 173.425 176.300 -0.115 0.000 0.970 506 R CA -2.795 53.278 56.100 -0.045 0.000 0.946 506 R CB 1.083 31.387 30.300 0.006 0.000 1.127 506 R HN -0.845 7.338 8.270 -0.025 0.073 0.473 507 P HA 0.015 nan 4.420 nan 0.000 0.272 507 P C -0.838 176.334 177.300 -0.213 0.000 1.230 507 P CA -0.515 62.487 63.100 -0.164 0.000 0.788 507 P CB 0.314 31.992 31.700 -0.037 0.000 0.949 508 T N -2.900 111.559 114.554 -0.158 0.000 2.788 508 T HA 0.089 nan 4.350 nan 0.000 0.287 508 T C 1.462 175.963 174.700 -0.332 0.000 1.007 508 T CA -0.208 61.771 62.100 -0.200 0.000 1.005 508 T CB 0.792 69.623 68.868 -0.062 0.000 1.012 508 T HN -0.199 7.980 8.240 -0.101 0.000 0.530 509 F N 1.128 121.033 119.950 -0.076 0.000 2.269 509 F HA -0.255 nan 4.527 nan 0.000 0.301 509 F C 1.407 177.145 175.800 -0.102 0.000 1.082 509 F CA 3.381 61.284 58.000 -0.161 0.000 1.360 509 F CB -0.155 38.742 39.000 -0.172 0.000 1.041 509 F HN -0.015 8.376 8.300 -0.315 -0.281 0.512 510 E N -0.285 119.967 120.200 0.087 0.000 2.085 510 E HA -0.476 nan 4.350 nan 0.000 0.194 510 E C 1.906 178.550 176.600 0.072 0.000 0.994 510 E CA 3.383 59.825 56.400 0.069 0.000 0.801 510 E CB -0.246 29.488 29.700 0.057 0.000 0.743 510 E HN -0.455 8.134 8.360 0.082 -0.179 0.453 511 Y N -0.488 119.771 120.300 -0.069 0.000 2.200 511 Y HA -0.294 nan 4.550 nan 0.000 0.290 511 Y C 1.678 177.544 175.900 -0.057 0.000 1.137 511 Y CA 2.954 61.015 58.100 -0.065 0.000 1.163 511 Y CB 0.187 38.593 38.460 -0.089 0.000 0.988 511 Y HN -0.819 7.429 8.280 0.105 0.095 0.518 512 I N -1.901 118.639 120.570 -0.050 0.000 2.546 512 I HA -0.560 nan 4.170 nan 0.000 0.255 512 I C 1.592 177.656 176.117 -0.088 0.000 1.163 512 I CA 3.323 64.539 61.300 -0.139 0.000 1.457 512 I CB -0.461 37.437 38.000 -0.170 0.000 1.092 512 I HN -0.524 7.581 8.210 -0.029 0.087 0.434 513 Q N 1.032 120.811 119.800 -0.033 0.000 2.050 513 Q HA -0.424 nan 4.340 nan 0.000 0.202 513 Q C 2.366 178.352 176.000 -0.023 0.000 0.980 513 Q CA 4.036 59.839 55.803 0.000 0.000 0.840 513 Q CB -0.169 28.585 28.738 0.026 0.000 0.898 513 Q HN 0.455 8.602 8.270 -0.012 0.117 0.424 514 S N 0.573 116.241 115.700 -0.055 0.000 2.356 514 S HA -0.347 nan 4.470 nan 0.000 0.223 514 S C 2.311 176.827 174.600 -0.141 0.000 1.032 514 S CA 4.367 62.519 58.200 -0.080 0.000 1.005 514 S CB -0.254 62.906 63.200 -0.067 0.000 0.867 514 S HN -0.376 7.907 8.310 -0.044 0.000 0.449 515 V N 2.049 121.799 119.914 -0.272 0.000 2.270 515 V HA -0.284 nan 4.120 nan 0.000 0.245 515 V C 0.903 177.004 176.094 0.012 0.000 1.043 515 V CA 4.068 66.219 62.300 -0.248 0.000 1.014 515 V CB -0.387 31.161 31.823 -0.457 0.000 0.645 515 V HN -0.190 7.708 8.190 -0.340 0.089 0.447 516 L N -4.441 116.806 121.223 0.041 0.000 2.056 516 L HA -0.272 nan 4.340 nan 0.000 0.207 516 L C 2.590 179.529 176.870 0.115 0.000 1.078 516 L CA 2.348 57.256 54.840 0.113 0.000 0.749 516 L CB -0.234 41.854 42.059 0.050 0.000 0.901 516 L HN -0.284 7.923 8.230 -0.039 0.000 0.433 517 D N 0.411 120.849 120.400 0.064 0.000 2.103 517 D HA -0.313 nan 4.640 nan 0.000 0.190 517 D C 1.112 177.469 176.300 0.094 0.000 0.997 517 D CA 3.465 57.502 54.000 0.061 0.000 0.833 517 D CB -0.232 40.584 40.800 0.028 0.000 0.961 517 D HN 0.130 8.520 8.370 0.034 0.000 0.447 518 D N -2.657 117.787 120.400 0.073 0.000 2.587 518 D HA 0.174 nan 4.640 nan 0.000 0.233 518 D C 1.502 177.849 176.300 0.078 0.000 1.213 518 D CA -0.674 53.369 54.000 0.072 0.000 0.827 518 D CB -0.535 40.272 40.800 0.012 0.000 1.006 518 D HN -0.814 7.580 8.370 0.040 0.000 0.490 519 F N 2.671 122.599 119.950 -0.037 0.000 2.115 519 F HA -0.427 nan 4.527 nan 0.000 0.300 519 F C 0.281 175.958 175.800 -0.205 0.000 1.092 519 F CA 3.732 61.654 58.000 -0.130 0.000 1.245 519 F CB 0.242 39.170 39.000 -0.121 0.000 0.995 519 F HN -0.615 7.652 8.300 0.294 0.210 0.481 520 Y N -6.238 114.136 120.300 0.123 0.000 2.458 520 Y HA 0.114 nan 4.550 nan 0.000 0.256 520 Y C -0.970 174.914 175.900 -0.027 0.000 1.159 520 Y CA 0.371 58.493 58.100 0.036 0.000 1.261 520 Y CB 0.442 38.949 38.460 0.079 0.000 1.119 520 Y HN -0.251 8.268 8.280 0.431 0.020 0.524 521 T N 1.169 115.763 114.554 0.067 0.000 2.792 521 T HA 0.177 nan 4.350 nan 0.000 0.280 521 T C -1.226 173.455 174.700 -0.030 0.000 0.990 521 T CA -1.150 60.965 62.100 0.025 0.000 0.960 521 T CB 1.246 70.138 68.868 0.040 0.000 0.939 521 T HN -0.525 7.560 8.240 0.057 0.189 0.439 522 A N 5.715 128.513 122.820 -0.036 0.000 2.511 522 A HA 0.081 nan 4.320 nan 0.000 0.242 522 A C 1.656 179.216 177.584 -0.039 0.000 1.069 522 A CA 0.174 52.181 52.037 -0.050 0.000 0.763 522 A CB 0.466 19.441 19.000 -0.042 0.000 1.001 522 A HN 0.370 8.506 8.150 -0.024 0.000 0.498 523 T N 5.506 120.035 114.554 -0.042 0.000 2.653 523 T HA -0.405 nan 4.350 nan 0.000 0.268 523 T C 2.006 176.690 174.700 -0.027 0.000 1.035 523 T CA 3.922 66.003 62.100 -0.032 0.000 1.154 523 T CB -0.499 68.351 68.868 -0.029 0.000 0.862 523 T HN 0.561 8.769 8.240 -0.052 0.000 0.441 524 E N -0.320 119.865 120.200 -0.026 0.000 2.267 524 E HA -0.195 nan 4.350 nan 0.000 0.197 524 E C 0.973 177.556 176.600 -0.029 0.000 0.998 524 E CA 2.250 58.636 56.400 -0.024 0.000 0.830 524 E CB -0.293 29.394 29.700 -0.021 0.000 0.751 524 E HN 0.292 8.636 8.360 -0.028 0.000 0.491 525 S N -2.027 113.655 115.700 -0.030 0.000 2.501 525 S HA 0.047 nan 4.470 nan 0.000 0.220 525 S C 0.105 174.684 174.600 -0.035 0.000 0.997 525 S CA 0.559 58.737 58.200 -0.036 0.000 0.919 525 S CB 0.791 63.973 63.200 -0.030 0.000 0.778 525 S HN -0.435 7.677 8.310 -0.028 0.181 0.523 529 Q N 2.173 121.952 119.800 -0.035 0.000 2.293 529 Q HA 0.039 nan 4.340 nan 0.000 0.251 529 Q C -0.056 175.993 176.000 0.082 0.000 0.930 529 Q CA -0.323 55.493 55.803 0.022 0.000 0.893 529 Q CB 0.702 29.455 28.738 0.025 0.000 1.215 529 Q HN 0.198 8.445 8.270 -0.039 0.000 0.425 530 Q N 4.181 124.042 119.800 0.102 0.000 2.320 530 Q HA -0.074 nan 4.340 nan 0.000 0.311 530 Q C -1.482 174.600 176.000 0.138 0.000 1.083 530 Q CA -0.892 54.996 55.803 0.142 0.000 1.001 530 Q CB 0.384 29.196 28.738 0.123 0.000 1.074 530 Q HN 0.205 8.520 8.270 0.075 0.000 0.379 531 P HA 0.000 nan 4.420 nan 0.000 0.216 531 P CA 0.000 63.172 63.100 0.119 0.000 0.800 531 P CB 0.000 31.762 31.700 0.104 0.000 0.726