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 2h8h_1_A DATA FIRST_RESID 85 DATA SEQUENCE TFVALYDYES RTETDLSFKK GERLQIVNNT EGDWWLAHSL STGQTGYIPS DATA SEQUENCE NYVAPSDSIQ AEEWYFGKIT RRESERLLLN AENPRGTFLV RESETTKGAY DATA SEQUENCE CLSVSDFDNA KGLNVKHYKI RKLDSGGFYI TSRTQFNSLQ QLVAYYSKHA DATA SEQUENCE DGLCHRLTTV CPTSKPQTQG LAKDAWEIPR ESLRLEVKLG QGCFGEVWMG DATA SEQUENCE TWNGTTRVAI KTLKPGTMSP EAFLQEAQVM KKLRHEKLVQ LYAVVSEEPI DATA SEQUENCE YIVTEYMSKG SLLDFLKGET GKYLRLPQLV DMAAQIASGM AYVERMNYVH DATA SEQUENCE RDLRAANILV GENLVCKVAD FGLARLIEDN EYTARQGAKF PIKWTAPEAA DATA SEQUENCE LYGRFTIKSD VWSFGILLTE LTTKGRVPYP GMVNREVLDQ VERGYRMPCP DATA SEQUENCE PECPESLHDL MCQCWRKEPE ERPTFEYLQA FLEDYFTSTE PQXQP 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 85 T HA 0.000 nan 4.350 nan 0.000 0.228 85 T C 0.000 174.782 174.700 0.137 0.000 1.109 85 T CA 0.000 62.165 62.100 0.109 0.000 1.349 85 T CB 0.000 68.890 68.868 0.037 0.000 0.612 86 F N 0.496 120.426 119.950 -0.034 0.000 2.457 86 F HA 0.828 5.355 4.527 -0.001 0.000 0.330 86 F C 0.376 176.138 175.800 -0.063 0.000 1.069 86 F CA -1.078 56.903 58.000 -0.032 0.000 1.009 86 F CB 1.697 40.701 39.000 0.007 0.000 1.276 86 F HN 0.623 nan 8.300 nan 0.000 0.492 87 V N 1.111 121.074 119.914 0.082 0.000 2.735 87 V HA 0.805 4.925 4.120 -0.001 0.000 0.310 87 V C -0.862 175.220 176.094 -0.019 0.000 1.061 87 V CA -0.930 61.368 62.300 -0.004 0.000 0.913 87 V CB 1.663 33.453 31.823 -0.055 0.000 1.005 87 V HN 0.924 nan 8.190 nan 0.000 0.428 88 A N 5.871 128.666 122.820 -0.040 0.000 2.409 88 A HA 0.508 4.827 4.320 -0.001 0.000 0.267 88 A C 0.678 178.254 177.584 -0.014 0.000 1.127 88 A CA -0.212 51.828 52.037 0.006 0.000 0.795 88 A CB 0.287 19.385 19.000 0.163 0.000 1.061 88 A HN 0.974 nan 8.150 nan 0.000 0.502 89 L N 1.295 122.455 121.223 -0.105 0.000 2.509 89 L HA 0.130 4.469 4.340 -0.001 0.000 0.222 89 L C -0.490 175.890 176.870 -0.816 0.000 1.123 89 L CA 0.668 55.196 54.840 -0.520 0.000 0.856 89 L CB -0.479 41.120 42.059 -0.768 0.000 0.985 89 L HN 0.772 nan 8.230 nan 0.000 0.456 90 Y N -2.196 118.163 120.300 0.098 0.000 2.638 90 Y HA 0.284 4.833 4.550 -0.001 0.000 0.335 90 Y C -0.468 175.598 175.900 0.276 0.000 1.155 90 Y CA -1.772 56.379 58.100 0.085 0.000 1.046 90 Y CB 0.721 39.101 38.460 -0.135 0.000 1.303 90 Y HN -0.196 nan 8.280 nan 0.000 0.460 91 D N 0.804 121.404 120.400 0.334 0.000 2.382 91 D HA 0.087 4.726 4.640 -0.001 0.000 0.240 91 D C -1.210 175.182 176.300 0.153 0.000 1.146 91 D CA 0.618 54.733 54.000 0.192 0.000 0.897 91 D CB 0.947 41.812 40.800 0.108 0.000 1.197 91 D HN 0.510 nan 8.370 nan 0.000 0.432 92 Y N 0.170 120.219 120.300 -0.418 0.000 2.396 92 Y HA 0.201 4.750 4.550 -0.001 0.000 0.332 92 Y C -0.882 174.792 175.900 -0.377 0.000 1.034 92 Y CA -0.715 57.079 58.100 -0.511 0.000 1.057 92 Y CB 1.361 39.155 38.460 -1.110 0.000 1.220 92 Y HN 0.208 nan 8.280 nan 0.000 0.440 93 E N 3.461 123.165 120.200 -0.827 0.000 2.174 93 E HA 0.241 4.590 4.350 -0.001 0.000 0.282 93 E C -0.621 175.520 176.600 -0.764 0.000 0.992 93 E CA -0.708 55.349 56.400 -0.571 0.000 0.803 93 E CB 1.542 31.044 29.700 -0.330 0.000 1.090 93 E HN 0.604 nan 8.360 nan 0.000 0.396 94 S N 2.784 118.287 115.700 -0.329 0.000 2.552 94 S HA -0.009 4.461 4.470 -0.001 0.000 0.289 94 S C 0.750 175.289 174.600 -0.103 0.000 1.304 94 S CA 0.255 58.397 58.200 -0.097 0.000 1.063 94 S CB 0.398 63.613 63.200 0.026 0.000 0.848 94 S HN 0.525 nan 8.310 nan 0.000 0.499 95 R N 1.764 122.271 120.500 0.012 0.000 2.316 95 R HA 0.175 4.514 4.340 -0.001 0.000 0.201 95 R C 0.716 177.014 176.300 -0.004 0.000 0.888 95 R CA 0.614 56.742 56.100 0.047 0.000 1.041 95 R CB 0.463 30.909 30.300 0.243 0.000 1.115 95 R HN 0.798 nan 8.270 nan 0.000 0.559 96 T N -2.974 111.599 114.554 0.032 0.000 2.742 96 T HA 0.280 4.629 4.350 -0.001 0.000 0.282 96 T C 0.586 175.288 174.700 0.003 0.000 1.025 96 T CA -0.829 61.258 62.100 -0.021 0.000 1.020 96 T CB 2.167 71.054 68.868 0.032 0.000 1.317 96 T HN -0.103 nan 8.240 nan 0.000 0.538 97 E N -0.173 120.022 120.200 -0.008 0.000 2.371 97 E HA 0.027 4.376 4.350 -0.001 0.000 0.194 97 E C 1.315 177.940 176.600 0.042 0.000 1.012 97 E CA 1.079 57.483 56.400 0.007 0.000 0.860 97 E CB 0.101 29.793 29.700 -0.012 0.000 0.811 97 E HN 0.821 nan 8.360 nan 0.000 0.502 98 T N -1.272 113.328 114.554 0.077 0.000 3.044 98 T HA 0.003 4.352 4.350 -0.001 0.000 0.260 98 T C 0.355 175.162 174.700 0.178 0.000 1.019 98 T CA -0.347 61.824 62.100 0.118 0.000 0.921 98 T CB 0.017 68.989 68.868 0.174 0.000 1.053 98 T HN 0.013 nan 8.240 nan 0.000 0.533 99 D N 1.652 122.169 120.400 0.196 0.000 2.433 99 D HA 0.454 5.093 4.640 -0.001 0.000 0.255 99 D C -0.412 176.043 176.300 0.257 0.000 1.226 99 D CA -0.972 53.198 54.000 0.283 0.000 1.015 99 D CB 0.688 41.708 40.800 0.366 0.000 1.091 99 D HN 0.183 nan 8.370 nan 0.000 0.527 100 L N -0.145 121.292 121.223 0.357 0.000 2.404 100 L HA 0.399 4.738 4.340 -0.001 0.000 0.272 100 L C -0.786 176.360 176.870 0.460 0.000 0.980 100 L CA -0.363 54.679 54.840 0.337 0.000 0.836 100 L CB 1.737 43.984 42.059 0.313 0.000 1.238 100 L HN 0.395 nan 8.230 nan 0.000 0.408 101 S N 4.309 120.187 115.700 0.296 0.000 2.579 101 S HA 0.730 5.199 4.470 -0.001 0.000 0.275 101 S C -0.658 174.117 174.600 0.291 0.000 1.345 101 S CA 0.132 58.438 58.200 0.177 0.000 1.031 101 S CB 0.255 63.489 63.200 0.057 0.000 0.892 101 S HN 0.532 nan 8.310 nan 0.000 0.529 102 F N -1.011 119.078 119.950 0.232 0.000 2.741 102 F HA 0.654 5.181 4.527 -0.001 0.000 0.311 102 F C -1.204 174.701 175.800 0.176 0.000 1.149 102 F CA -1.352 56.754 58.000 0.177 0.000 0.930 102 F CB 0.840 39.943 39.000 0.172 0.000 1.312 102 F HN 0.109 nan 8.300 nan 0.000 0.450 103 K N 1.279 121.905 120.400 0.376 0.000 2.156 103 K HA 0.316 4.636 4.320 -0.001 0.000 0.250 103 K C -0.812 175.973 176.600 0.308 0.000 0.955 103 K CA -1.019 55.421 56.287 0.255 0.000 0.855 103 K CB 2.140 34.732 32.500 0.153 0.000 1.101 103 K HN 0.833 nan 8.250 nan 0.000 0.434 104 K N 0.340 120.877 120.400 0.228 0.000 2.504 104 K HA -0.087 4.232 4.320 -0.001 0.000 0.278 104 K C 0.752 177.408 176.600 0.093 0.000 1.025 104 K CA 1.671 58.047 56.287 0.148 0.000 1.093 104 K CB -0.163 32.381 32.500 0.073 0.000 0.873 104 K HN 0.806 nan 8.250 nan 0.000 0.483 105 G N 2.848 111.680 108.800 0.054 0.000 2.268 105 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.240 105 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.240 105 G C 0.072 174.994 174.900 0.035 0.000 1.010 105 G CA 0.309 45.423 45.100 0.024 0.000 0.618 105 G HN 0.730 nan 8.290 nan 0.000 0.516 106 E N 1.108 121.355 120.200 0.078 0.000 2.452 106 E HA 0.330 4.679 4.350 -0.001 0.000 0.261 106 E C 0.546 177.156 176.600 0.015 0.000 0.987 106 E CA -0.206 56.233 56.400 0.066 0.000 0.926 106 E CB 0.241 30.021 29.700 0.133 0.000 0.934 106 E HN 0.449 nan 8.360 nan 0.000 0.452 107 R N 3.850 124.353 120.500 0.005 0.000 2.265 107 R HA 0.346 4.685 4.340 -0.001 0.000 0.314 107 R C -0.717 175.573 176.300 -0.016 0.000 1.053 107 R CA -0.214 55.883 56.100 -0.006 0.000 0.931 107 R CB 0.586 30.880 30.300 -0.009 0.000 1.024 107 R HN 0.412 nan 8.270 nan 0.000 0.457 108 L N 2.574 123.795 121.223 -0.004 0.000 2.362 108 L HA 0.365 4.704 4.340 -0.001 0.000 0.275 108 L C -0.358 176.536 176.870 0.041 0.000 0.998 108 L CA -1.117 53.712 54.840 -0.017 0.000 0.820 108 L CB 2.000 44.003 42.059 -0.094 0.000 1.270 108 L HN 0.393 nan 8.230 nan 0.000 0.415 109 Q N 2.717 122.531 119.800 0.024 0.000 2.267 109 Q HA 0.369 4.708 4.340 -0.001 0.000 0.255 109 Q C -0.706 175.293 176.000 -0.002 0.000 0.923 109 Q CA -0.274 55.556 55.803 0.046 0.000 0.925 109 Q CB 0.977 29.748 28.738 0.055 0.000 1.195 109 Q HN 0.328 nan 8.270 nan 0.000 0.417 110 I N 6.127 126.641 120.570 -0.093 0.000 2.379 110 I HA 0.018 4.188 4.170 -0.001 0.000 0.290 110 I C 0.864 176.892 176.117 -0.148 0.000 1.063 110 I CA 0.087 61.257 61.300 -0.217 0.000 1.351 110 I CB 0.443 38.098 38.000 -0.575 0.000 1.410 110 I HN 0.682 nan 8.210 nan 0.000 0.505 111 V N 2.439 122.296 119.914 -0.095 0.000 3.643 111 V HA 0.412 4.531 4.120 -0.001 0.000 0.280 111 V C 0.477 176.520 176.094 -0.085 0.000 1.351 111 V CA 0.065 62.324 62.300 -0.070 0.000 1.073 111 V CB 0.016 31.814 31.823 -0.040 0.000 0.863 111 V HN 0.792 nan 8.190 nan 0.000 0.436 112 N N 2.444 121.081 118.700 -0.106 0.000 2.752 112 N HA 0.198 4.937 4.740 -0.001 0.000 0.268 112 N C -0.806 174.611 175.510 -0.154 0.000 1.190 112 N CA 0.316 53.314 53.050 -0.086 0.000 0.897 112 N CB 1.592 40.082 38.487 0.004 0.000 1.515 112 N HN 0.461 nan 8.380 nan 0.000 0.567 113 N N 0.557 119.069 118.700 -0.314 0.000 2.235 113 N HA 0.016 4.755 4.740 -0.001 0.000 0.231 113 N C -0.093 175.269 175.510 -0.247 0.000 1.177 113 N CA -0.231 52.452 53.050 -0.612 0.000 0.874 113 N CB -0.165 37.633 38.487 -1.149 0.000 1.097 113 N HN 0.363 nan 8.380 nan 0.000 0.518 114 T N -0.725 113.780 114.554 -0.081 0.000 4.508 114 T HA 0.248 4.597 4.350 -0.001 0.000 0.232 114 T C 0.011 174.753 174.700 0.070 0.000 1.027 114 T CA -0.318 61.779 62.100 -0.004 0.000 0.999 114 T CB -0.548 68.321 68.868 0.003 0.000 1.402 114 T HN 0.487 nan 8.240 nan 0.000 1.003 115 E N -0.346 119.932 120.200 0.130 0.000 2.011 115 E HA 0.333 4.682 4.350 -0.001 0.000 0.233 115 E C 0.032 176.828 176.600 0.327 0.000 1.581 115 E CA -0.370 56.150 56.400 0.200 0.000 0.998 115 E CB 0.365 30.193 29.700 0.214 0.000 1.568 115 E HN 0.232 nan 8.360 nan 0.000 0.554 116 G N -0.550 108.422 108.800 0.287 0.000 2.798 116 G HA2 0.091 4.050 3.960 -0.001 0.000 0.202 116 G HA3 0.091 4.050 3.960 -0.001 0.000 0.202 116 G C 0.551 175.442 174.900 -0.015 0.000 1.149 116 G CA 0.638 45.866 45.100 0.214 0.000 0.713 116 G HN 0.359 nan 8.290 nan 0.000 0.749 117 D N -0.632 119.730 120.400 -0.062 0.000 2.324 117 D HA 0.107 4.747 4.640 -0.001 0.000 0.212 117 D C -0.345 175.612 176.300 -0.572 0.000 0.984 117 D CA 0.299 54.118 54.000 -0.301 0.000 0.885 117 D CB 0.662 41.387 40.800 -0.124 0.000 0.996 117 D HN 0.265 nan 8.370 nan 0.000 0.505 118 W N 0.540 121.743 121.300 -0.161 0.000 2.538 118 W HA 0.300 4.959 4.660 -0.001 0.000 0.322 118 W C -0.632 175.995 176.519 0.180 0.000 1.028 118 W CA -0.947 56.341 57.345 -0.094 0.000 1.228 118 W CB 1.032 30.431 29.460 -0.103 0.000 1.356 118 W HN -0.227 nan 8.180 nan 0.000 0.452 119 W N 4.010 125.446 121.300 0.228 0.000 2.570 119 W HA 0.483 5.142 4.660 -0.001 0.000 0.337 119 W C -0.604 176.077 176.519 0.269 0.000 1.067 119 W CA -1.984 55.467 57.345 0.176 0.000 1.229 119 W CB 0.878 30.315 29.460 -0.037 0.000 1.355 119 W HN -0.026 nan 8.180 nan 0.000 0.555 120 L N 3.184 124.650 121.223 0.406 0.000 2.369 120 L HA 0.538 4.878 4.340 -0.001 0.000 0.279 120 L C 0.117 177.008 176.870 0.034 0.000 1.108 120 L CA 0.260 55.138 54.840 0.064 0.000 0.852 120 L CB -0.194 41.821 42.059 -0.073 0.000 1.169 120 L HN 0.420 nan 8.230 nan 0.000 0.452 121 A N 4.589 127.424 122.820 0.026 0.000 2.387 121 A HA 0.601 4.920 4.320 -0.001 0.000 0.303 121 A C -1.289 176.351 177.584 0.093 0.000 1.145 121 A CA -0.503 51.557 52.037 0.039 0.000 0.801 121 A CB 0.964 19.979 19.000 0.025 0.000 1.342 121 A HN 0.836 nan 8.150 nan 0.000 0.440 122 H N 0.588 119.643 119.070 -0.024 0.000 3.108 122 H HA 0.405 4.960 4.556 -0.001 0.000 0.329 122 H C -0.722 174.609 175.328 0.005 0.000 0.978 122 H CA -0.256 55.786 56.048 -0.009 0.000 1.413 122 H CB 1.283 31.034 29.762 -0.017 0.000 1.670 122 H HN 0.709 nan 8.280 nan 0.000 0.512 123 S N 5.044 120.766 115.700 0.036 0.000 2.515 123 S HA 0.040 4.509 4.470 -0.001 0.000 0.285 123 S C 1.434 175.904 174.600 -0.218 0.000 1.265 123 S CA -0.576 57.598 58.200 -0.044 0.000 1.079 123 S CB 0.231 63.459 63.200 0.048 0.000 0.877 123 S HN 0.675 nan 8.310 nan 0.000 0.493 124 L N 4.497 125.619 121.223 -0.168 0.000 2.552 124 L HA 0.036 4.375 4.340 -0.001 0.000 0.227 124 L C 2.462 179.273 176.870 -0.099 0.000 1.146 124 L CA 0.644 55.378 54.840 -0.177 0.000 0.858 124 L CB -0.604 41.390 42.059 -0.108 0.000 0.969 124 L HN 0.762 nan 8.230 nan 0.000 0.451 125 S N 0.008 115.676 115.700 -0.054 0.000 2.384 125 S HA -0.109 4.361 4.470 -0.001 0.000 0.217 125 S C 1.991 176.588 174.600 -0.005 0.000 1.041 125 S CA 1.345 59.536 58.200 -0.014 0.000 0.948 125 S CB -0.074 63.136 63.200 0.018 0.000 0.872 125 S HN 0.487 nan 8.310 nan 0.000 0.512 126 T N -3.081 111.479 114.554 0.010 0.000 3.037 126 T HA 0.429 4.778 4.350 -0.001 0.000 0.251 126 T C 1.675 176.397 174.700 0.037 0.000 1.079 126 T CA 1.017 63.136 62.100 0.032 0.000 1.067 126 T CB -0.097 68.808 68.868 0.061 0.000 0.948 126 T HN 1.162 nan 8.240 nan 0.000 0.496 127 G N 1.331 110.136 108.800 0.008 0.000 2.184 127 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.264 127 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.264 127 G C 0.089 175.139 174.900 0.250 0.000 0.975 127 G CA 0.155 45.310 45.100 0.091 0.000 0.642 127 G HN 0.645 nan 8.290 nan 0.000 0.536 128 Q N 0.875 120.778 119.800 0.173 0.000 2.368 128 Q HA 0.551 4.890 4.340 -0.001 0.000 0.237 128 Q C 0.690 176.824 176.000 0.223 0.000 0.987 128 Q CA 0.943 56.842 55.803 0.160 0.000 0.896 128 Q CB 1.084 29.892 28.738 0.115 0.000 1.241 128 Q HN 0.744 nan 8.270 nan 0.000 0.485 129 T N -2.829 111.792 114.554 0.112 0.000 2.916 129 T HA 0.898 5.247 4.350 -0.001 0.000 0.292 129 T C -0.041 174.663 174.700 0.006 0.000 1.055 129 T CA -0.369 61.758 62.100 0.044 0.000 1.009 129 T CB 2.258 71.063 68.868 -0.106 0.000 1.118 129 T HN 0.782 nan 8.240 nan 0.000 0.497 130 G N -0.131 108.640 108.800 -0.048 0.000 2.328 130 G HA2 0.399 4.358 3.960 -0.001 0.000 0.299 130 G HA3 0.399 4.358 3.960 -0.001 0.000 0.299 130 G C -1.830 173.022 174.900 -0.081 0.000 1.435 130 G CA -1.150 43.896 45.100 -0.090 0.000 0.865 130 G HN 0.756 nan 8.290 nan 0.000 0.601 131 Y N -0.266 120.138 120.300 0.173 0.000 2.397 131 Y HA 0.534 5.083 4.550 -0.001 0.000 0.335 131 Y C 1.395 177.492 175.900 0.329 0.000 1.213 131 Y CA 0.438 58.687 58.100 0.248 0.000 1.391 131 Y CB 0.952 39.547 38.460 0.225 0.000 1.293 131 Y HN 0.644 nan 8.280 nan 0.000 0.557 132 I N 0.104 120.965 120.570 0.485 0.000 2.969 132 I HA 0.627 4.796 4.170 -0.001 0.000 0.307 132 I C -3.058 172.926 176.117 -0.221 0.000 1.149 132 I CA -3.225 58.178 61.300 0.173 0.000 1.008 132 I CB 2.546 40.607 38.000 0.102 0.000 1.232 132 I HN 0.177 nan 8.210 nan 0.000 0.435 133 P HA 0.191 nan 4.420 nan 0.000 0.287 133 P C 0.523 177.401 177.300 -0.704 0.000 1.281 133 P CA -0.380 61.994 63.100 -1.211 0.000 0.781 133 P CB 1.455 32.330 31.700 -1.375 0.000 0.903 134 S N 2.893 118.044 115.700 -0.914 0.000 2.419 134 S HA -0.196 4.273 4.470 -0.001 0.000 0.233 134 S C 1.331 175.586 174.600 -0.575 0.000 1.016 134 S CA 1.141 58.645 58.200 -1.160 0.000 0.974 134 S CB -1.149 60.759 63.200 -2.152 0.000 0.786 134 S HN 0.513 nan 8.310 nan 0.000 0.492 135 N N 0.207 118.704 118.700 -0.338 0.000 2.521 135 N HA -0.067 4.673 4.740 -0.001 0.000 0.188 135 N C 0.458 176.052 175.510 0.140 0.000 1.146 135 N CA 0.441 53.441 53.050 -0.083 0.000 0.893 135 N CB -0.778 37.667 38.487 -0.070 0.000 0.975 135 N HN 0.498 nan 8.380 nan 0.000 0.451 136 Y N 0.458 120.721 120.300 -0.060 0.000 2.457 136 Y HA 0.256 4.805 4.550 -0.001 0.000 0.263 136 Y C 0.916 176.888 175.900 0.121 0.000 1.164 136 Y CA -0.701 57.516 58.100 0.196 0.000 1.274 136 Y CB 0.323 38.960 38.460 0.295 0.000 1.097 136 Y HN 0.031 nan 8.280 nan 0.000 0.523 137 V N -2.698 117.306 119.914 0.150 0.000 3.102 137 V HA 1.031 5.150 4.120 -0.001 0.000 0.312 137 V C -0.589 175.638 176.094 0.222 0.000 1.135 137 V CA -1.303 61.086 62.300 0.148 0.000 1.022 137 V CB 1.492 33.424 31.823 0.183 0.000 1.056 137 V HN -0.089 nan 8.190 nan 0.000 0.436 138 A N 2.219 125.152 122.820 0.188 0.000 2.556 138 A HA 1.006 5.325 4.320 -0.001 0.000 0.294 138 A C -3.248 174.136 177.584 -0.334 0.000 1.091 138 A CA -1.952 50.119 52.037 0.058 0.000 0.704 138 A CB 1.805 20.770 19.000 -0.058 0.000 1.300 138 A HN 0.721 nan 8.150 nan 0.000 0.406 139 P HA 0.102 nan 4.420 nan 0.000 0.264 139 P C 0.189 177.207 177.300 -0.470 0.000 1.193 139 P CA 0.412 62.918 63.100 -0.991 0.000 0.763 139 P CB 0.649 31.933 31.700 -0.694 0.000 0.810 140 S N 3.100 118.577 115.700 -0.372 0.000 2.558 140 S HA -0.042 4.428 4.470 -0.001 0.000 0.291 140 S C 0.618 175.105 174.600 -0.189 0.000 1.306 140 S CA 0.405 58.480 58.200 -0.208 0.000 1.056 140 S CB -0.526 62.592 63.200 -0.136 0.000 0.836 140 S HN 0.599 nan 8.310 nan 0.000 0.504 141 D N 0.551 120.859 120.400 -0.153 0.000 3.059 141 D HA -0.160 4.479 4.640 -0.001 0.000 0.213 141 D C 0.302 176.508 176.300 -0.156 0.000 1.144 141 D CA 1.578 55.498 54.000 -0.133 0.000 0.975 141 D CB -2.027 38.715 40.800 -0.097 0.000 1.125 141 D HN 0.687 nan 8.370 nan 0.000 0.412 142 S N -0.387 115.195 115.700 -0.198 0.000 2.617 142 S HA 0.392 4.861 4.470 -0.001 0.000 0.269 142 S C 1.311 175.755 174.600 -0.260 0.000 1.292 142 S CA -0.673 57.404 58.200 -0.206 0.000 1.010 142 S CB 1.958 65.032 63.200 -0.210 0.000 0.944 142 S HN 0.023 nan 8.310 nan 0.000 0.536 143 I N 1.414 121.794 120.570 -0.317 0.000 2.394 143 I HA -0.085 4.084 4.170 -0.001 0.000 0.251 143 I C 2.238 178.026 176.117 -0.548 0.000 1.136 143 I CA 1.574 62.565 61.300 -0.516 0.000 1.425 143 I CB -0.818 36.757 38.000 -0.709 0.000 1.079 143 I HN 0.772 nan 8.210 nan 0.000 0.425 144 Q N 0.590 120.185 119.800 -0.342 0.000 2.291 144 Q HA -0.045 4.294 4.340 -0.001 0.000 0.206 144 Q C 2.207 178.091 176.000 -0.193 0.000 0.976 144 Q CA 1.531 57.255 55.803 -0.132 0.000 0.875 144 Q CB -0.633 28.077 28.738 -0.046 0.000 0.927 144 Q HN 0.635 nan 8.270 nan 0.000 0.450 145 A N 0.376 123.045 122.820 -0.252 0.000 2.067 145 A HA -0.088 4.231 4.320 -0.001 0.000 0.219 145 A C 0.581 177.965 177.584 -0.333 0.000 1.158 145 A CA 0.523 52.406 52.037 -0.256 0.000 0.661 145 A CB 0.005 18.869 19.000 -0.227 0.000 0.801 145 A HN 0.096 nan 8.150 nan 0.000 0.452 146 E N 0.485 120.399 120.200 -0.478 0.000 2.316 146 E HA 0.087 4.436 4.350 -0.001 0.000 0.275 146 E C 0.813 177.003 176.600 -0.683 0.000 1.029 146 E CA 0.242 56.187 56.400 -0.758 0.000 0.871 146 E CB 0.689 29.494 29.700 -1.492 0.000 1.022 146 E HN 0.748 nan 8.360 nan 0.000 0.418 147 E N 3.587 123.457 120.200 -0.551 0.000 2.347 147 E HA -0.132 4.218 4.350 -0.001 0.000 0.196 147 E C 1.110 177.617 176.600 -0.156 0.000 1.008 147 E CA 0.719 56.921 56.400 -0.331 0.000 0.852 147 E CB -0.182 29.410 29.700 -0.181 0.000 0.783 147 E HN 0.701 nan 8.360 nan 0.000 0.505 148 W N -0.060 121.285 121.300 0.075 0.000 3.139 148 W HA 0.193 4.852 4.660 -0.001 0.000 0.260 148 W C -0.083 176.660 176.519 0.375 0.000 1.312 148 W CA -0.829 56.618 57.345 0.171 0.000 1.606 148 W CB -0.635 28.866 29.460 0.068 0.000 1.118 148 W HN -0.113 nan 8.180 nan 0.000 0.675 149 Y N 1.769 122.093 120.300 0.040 0.000 2.452 149 Y HA 0.205 4.755 4.550 -0.001 0.000 0.348 149 Y C -0.020 175.967 175.900 0.145 0.000 0.985 149 Y CA -0.873 57.303 58.100 0.128 0.000 1.214 149 Y CB 0.035 38.370 38.460 -0.209 0.000 1.136 149 Y HN -0.191 nan 8.280 nan 0.000 0.523 150 F N 3.744 123.438 119.950 -0.426 0.000 2.695 150 F HA 0.276 4.803 4.527 -0.001 0.000 0.303 150 F C 1.618 177.185 175.800 -0.389 0.000 1.091 150 F CA 0.243 58.073 58.000 -0.283 0.000 1.300 150 F CB -0.108 38.813 39.000 -0.132 0.000 1.071 150 F HN 0.841 nan 8.300 nan 0.000 0.578 151 G N 0.448 108.791 108.800 -0.761 0.000 2.629 151 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.313 151 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.313 151 G C 0.416 175.253 174.900 -0.106 0.000 1.217 151 G CA -0.060 44.805 45.100 -0.392 0.000 0.994 151 G HN 0.152 nan 8.290 nan 0.000 0.549 152 K N 1.266 121.662 120.400 -0.007 0.000 2.257 152 K HA 0.601 4.920 4.320 -0.001 0.000 0.270 152 K C -0.773 175.832 176.600 0.009 0.000 1.098 152 K CA -0.267 56.028 56.287 0.014 0.000 0.943 152 K CB -0.083 32.434 32.500 0.029 0.000 1.316 152 K HN 0.517 nan 8.250 nan 0.000 0.447 153 I N 2.307 122.885 120.570 0.013 0.000 2.656 153 I HA 0.201 4.370 4.170 -0.001 0.000 0.292 153 I C 0.047 176.167 176.117 0.004 0.000 1.144 153 I CA -0.461 60.851 61.300 0.019 0.000 1.038 153 I CB 2.209 40.249 38.000 0.066 0.000 1.244 153 I HN 0.525 nan 8.210 nan 0.000 0.420 154 T N 3.352 117.903 114.554 -0.004 0.000 2.860 154 T HA 0.249 4.598 4.350 -0.001 0.000 0.299 154 T C 1.365 176.051 174.700 -0.023 0.000 1.045 154 T CA -0.336 61.754 62.100 -0.015 0.000 1.071 154 T CB 0.954 69.816 68.868 -0.010 0.000 0.985 154 T HN 0.826 nan 8.240 nan 0.000 0.537 155 R N 1.181 121.645 120.500 -0.060 0.000 2.115 155 R HA -0.065 4.274 4.340 -0.001 0.000 0.230 155 R C 2.428 178.719 176.300 -0.015 0.000 1.111 155 R CA 0.879 56.925 56.100 -0.089 0.000 0.976 155 R CB -0.408 29.709 30.300 -0.305 0.000 0.870 155 R HN 0.663 nan 8.270 nan 0.000 0.445 156 R N 0.820 121.311 120.500 -0.015 0.000 2.075 156 R HA -0.090 4.249 4.340 -0.001 0.000 0.232 156 R C 1.840 178.153 176.300 0.021 0.000 1.126 156 R CA 1.472 57.581 56.100 0.014 0.000 0.963 156 R CB 0.078 30.387 30.300 0.015 0.000 0.858 156 R HN 0.223 nan 8.270 nan 0.000 0.435 157 E N 0.081 120.287 120.200 0.012 0.000 2.152 157 E HA -0.121 4.228 4.350 -0.001 0.000 0.192 157 E C 1.933 178.536 176.600 0.005 0.000 0.983 157 E CA 1.433 57.840 56.400 0.011 0.000 0.818 157 E CB -0.084 29.619 29.700 0.006 0.000 0.758 157 E HN 0.397 nan 8.360 nan 0.000 0.467 158 S N 0.681 116.380 115.700 -0.001 0.000 2.383 158 S HA -0.141 4.328 4.470 -0.001 0.000 0.227 158 S C 1.861 176.450 174.600 -0.019 0.000 1.026 158 S CA 1.074 59.251 58.200 -0.038 0.000 0.981 158 S CB -0.173 63.009 63.200 -0.030 0.000 0.818 158 S HN 0.201 nan 8.310 nan 0.000 0.472 159 E N 1.205 121.428 120.200 0.037 0.000 2.051 159 E HA -0.155 4.195 4.350 -0.001 0.000 0.192 159 E C 2.374 178.979 176.600 0.010 0.000 0.991 159 E CA 1.125 57.545 56.400 0.034 0.000 0.799 159 E CB -0.236 29.508 29.700 0.073 0.000 0.748 159 E HN 0.581 nan 8.360 nan 0.000 0.449 160 R N 0.917 121.426 120.500 0.015 0.000 2.096 160 R HA -0.199 4.140 4.340 -0.001 0.000 0.240 160 R C 2.268 178.571 176.300 0.005 0.000 1.139 160 R CA 1.362 57.470 56.100 0.014 0.000 0.952 160 R CB -0.271 30.040 30.300 0.018 0.000 0.854 160 R HN 0.181 nan 8.270 nan 0.000 0.436 161 L N 0.329 121.547 121.223 -0.009 0.000 2.056 161 L HA -0.159 4.180 4.340 -0.001 0.000 0.207 161 L C 2.429 179.279 176.870 -0.033 0.000 1.078 161 L CA 1.029 55.860 54.840 -0.016 0.000 0.749 161 L CB -0.266 41.774 42.059 -0.031 0.000 0.901 161 L HN 0.274 nan 8.230 nan 0.000 0.433 162 L N -0.725 120.465 121.223 -0.055 0.000 2.179 162 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 162 L C 2.171 179.024 176.870 -0.028 0.000 1.096 162 L CA 0.644 55.448 54.840 -0.060 0.000 0.779 162 L CB -0.188 41.821 42.059 -0.083 0.000 0.922 162 L HN 0.222 nan 8.230 nan 0.000 0.443 163 L N -0.227 120.987 121.223 -0.015 0.000 2.622 163 L HA -0.077 4.262 4.340 -0.001 0.000 0.233 163 L C 1.173 178.052 176.870 0.015 0.000 1.156 163 L CA -0.059 54.784 54.840 0.004 0.000 0.866 163 L CB -0.868 41.196 42.059 0.007 0.000 0.980 163 L HN 0.346 nan 8.230 nan 0.000 0.448 164 N N 0.850 119.556 118.700 0.011 0.000 2.294 164 N HA -0.111 4.628 4.740 -0.001 0.000 0.248 164 N C 1.197 176.719 175.510 0.021 0.000 1.242 164 N CA 0.512 53.573 53.050 0.018 0.000 0.848 164 N CB 1.086 39.583 38.487 0.016 0.000 1.084 164 N HN 0.164 nan 8.380 nan 0.000 0.457 165 A N 4.095 126.930 122.820 0.026 0.000 1.940 165 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 165 A C 1.425 179.014 177.584 0.009 0.000 1.176 165 A CA 1.480 53.531 52.037 0.024 0.000 0.631 165 A CB -0.302 18.715 19.000 0.029 0.000 0.814 165 A HN 0.893 nan 8.150 nan 0.000 0.446 166 E N 0.352 120.558 120.200 0.009 0.000 2.445 166 E HA 0.042 4.391 4.350 -0.001 0.000 0.189 166 E C -0.678 175.920 176.600 -0.004 0.000 1.069 166 E CA -0.377 56.024 56.400 0.002 0.000 0.871 166 E CB -0.098 29.608 29.700 0.010 0.000 0.991 166 E HN 0.399 nan 8.360 nan 0.000 0.481 167 N N 2.762 121.458 118.700 -0.006 0.000 2.422 167 N HA 0.196 4.935 4.740 -0.001 0.000 0.266 167 N C -2.375 173.119 175.510 -0.026 0.000 1.007 167 N CA -1.763 51.281 53.050 -0.010 0.000 0.941 167 N CB 0.962 39.444 38.487 -0.009 0.000 1.115 167 N HN -0.054 nan 8.380 nan 0.000 0.492 168 P HA 0.096 nan 4.420 nan 0.000 0.271 168 P C 0.194 177.437 177.300 -0.095 0.000 1.233 168 P CA -0.191 62.873 63.100 -0.059 0.000 0.789 168 P CB 0.787 32.466 31.700 -0.036 0.000 0.951 169 R N 0.603 120.996 120.500 -0.179 0.000 2.619 169 R HA 0.178 4.517 4.340 -0.001 0.000 0.268 169 R C 1.287 177.340 176.300 -0.411 0.000 0.990 169 R CA 1.328 57.215 56.100 -0.355 0.000 1.092 169 R CB -0.748 29.168 30.300 -0.640 0.000 0.935 169 R HN 0.905 nan 8.270 nan 0.000 0.415 170 G N 2.114 110.750 108.800 -0.275 0.000 2.179 170 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.257 170 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.257 170 G C 0.150 175.150 174.900 0.166 0.000 1.010 170 G CA 0.580 45.705 45.100 0.042 0.000 0.736 170 G HN 0.599 nan 8.290 nan 0.000 0.513 171 T N 0.541 115.152 114.554 0.094 0.000 2.901 171 T HA 0.550 4.899 4.350 -0.001 0.000 0.301 171 T C 0.002 174.798 174.700 0.160 0.000 1.012 171 T CA 0.955 63.122 62.100 0.112 0.000 1.135 171 T CB 0.570 69.444 68.868 0.010 0.000 0.936 171 T HN 1.069 nan 8.240 nan 0.000 0.539 172 F N 2.074 122.002 119.950 -0.036 0.000 2.711 172 F HA 0.809 5.335 4.527 -0.001 0.000 0.313 172 F C -1.978 173.788 175.800 -0.057 0.000 1.141 172 F CA -1.739 56.226 58.000 -0.060 0.000 0.941 172 F CB 1.090 40.054 39.000 -0.060 0.000 1.349 172 F HN 0.479 nan 8.300 nan 0.000 0.464 173 L N -0.032 121.188 121.223 -0.005 0.000 2.568 173 L HA 0.918 5.257 4.340 -0.001 0.000 0.257 173 L C -1.837 175.165 176.870 0.220 0.000 1.024 173 L CA -1.208 53.609 54.840 -0.038 0.000 0.854 173 L CB 1.626 43.291 42.059 -0.658 0.000 1.460 173 L HN 0.601 nan 8.230 nan 0.000 0.409 174 V N 1.082 121.220 119.914 0.372 0.000 2.513 174 V HA 0.844 4.963 4.120 -0.001 0.000 0.299 174 V C -0.134 176.074 176.094 0.190 0.000 1.035 174 V CA -0.390 62.119 62.300 0.347 0.000 0.889 174 V CB 1.557 33.700 31.823 0.534 0.000 0.988 174 V HN 0.989 nan 8.190 nan 0.000 0.440 175 R N 2.388 122.984 120.500 0.161 0.000 2.869 175 R HA 0.702 5.041 4.340 -0.001 0.000 0.263 175 R C -0.959 175.475 176.300 0.223 0.000 1.066 175 R CA -1.056 55.082 56.100 0.063 0.000 0.960 175 R CB 1.865 32.187 30.300 0.038 0.000 1.221 175 R HN 0.542 nan 8.270 nan 0.000 0.474 176 E N 0.869 121.150 120.200 0.135 0.000 2.366 176 E HA 0.081 4.430 4.350 -0.001 0.000 0.266 176 E C -0.568 176.042 176.600 0.016 0.000 1.051 176 E CA -0.310 56.130 56.400 0.067 0.000 0.884 176 E CB 1.340 31.054 29.700 0.023 0.000 1.006 176 E HN 0.419 nan 8.360 nan 0.000 0.417 177 S N 1.508 117.185 115.700 -0.039 0.000 2.548 177 S HA 0.005 4.474 4.470 -0.001 0.000 0.277 177 S C 0.668 175.245 174.600 -0.039 0.000 1.315 177 S CA -0.280 57.903 58.200 -0.029 0.000 1.050 177 S CB 0.538 63.719 63.200 -0.030 0.000 0.918 177 S HN 0.466 nan 8.310 nan 0.000 0.497 178 E N 2.053 122.232 120.200 -0.036 0.000 2.318 178 E HA -0.028 4.321 4.350 -0.001 0.000 0.193 178 E C 1.596 178.180 176.600 -0.028 0.000 0.998 178 E CA 1.034 57.416 56.400 -0.031 0.000 0.859 178 E CB 0.084 29.763 29.700 -0.035 0.000 0.812 178 E HN 0.897 nan 8.360 nan 0.000 0.492 179 T N -2.032 112.503 114.554 -0.031 0.000 3.037 179 T HA 0.061 4.410 4.350 -0.001 0.000 0.252 179 T C 0.965 175.654 174.700 -0.018 0.000 1.073 179 T CA 0.070 62.156 62.100 -0.024 0.000 1.091 179 T CB 0.405 69.256 68.868 -0.027 0.000 0.935 179 T HN -0.195 nan 8.240 nan 0.000 0.488 180 T N 2.427 116.967 114.554 -0.023 0.000 2.963 180 T HA 0.369 4.718 4.350 -0.001 0.000 0.328 180 T C -0.621 174.056 174.700 -0.038 0.000 1.048 180 T CA -0.712 61.376 62.100 -0.020 0.000 1.033 180 T CB 1.691 70.552 68.868 -0.011 0.000 1.010 180 T HN 0.186 nan 8.240 nan 0.000 0.469 181 K N 1.536 121.918 120.400 -0.031 0.000 2.448 181 K HA 0.307 4.626 4.320 -0.001 0.000 0.278 181 K C 1.365 177.933 176.600 -0.053 0.000 1.009 181 K CA 1.403 57.665 56.287 -0.042 0.000 0.995 181 K CB 0.189 32.678 32.500 -0.019 0.000 0.917 181 K HN 0.918 nan 8.250 nan 0.000 0.481 182 G N 1.462 110.205 108.800 -0.096 0.000 2.199 182 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.254 182 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.254 182 G C -0.006 174.792 174.900 -0.171 0.000 0.982 182 G CA 0.248 45.290 45.100 -0.096 0.000 0.632 182 G HN 0.889 nan 8.290 nan 0.000 0.529 183 A N -0.896 121.803 122.820 -0.201 0.000 2.288 183 A HA 0.952 5.271 4.320 -0.001 0.000 0.328 183 A C -0.493 176.897 177.584 -0.323 0.000 1.123 183 A CA -0.592 51.362 52.037 -0.138 0.000 0.861 183 A CB 1.100 20.093 19.000 -0.012 0.000 1.272 183 A HN 0.728 nan 8.150 nan 0.000 0.490 184 Y N -1.806 118.591 120.300 0.161 0.000 2.693 184 Y HA 0.640 5.189 4.550 -0.001 0.000 0.331 184 Y C 0.034 176.009 175.900 0.123 0.000 1.092 184 Y CA -0.645 57.556 58.100 0.168 0.000 1.131 184 Y CB 2.026 40.622 38.460 0.227 0.000 1.318 184 Y HN 0.876 nan 8.280 nan 0.000 0.510 185 C N 2.015 121.502 119.300 0.312 0.000 2.642 185 C HA 0.639 5.099 4.460 -0.001 0.000 0.344 185 C C -1.680 173.439 174.990 0.214 0.000 1.110 185 C CA -0.812 58.334 59.018 0.212 0.000 1.298 185 C CB -0.125 27.700 27.740 0.141 0.000 1.827 185 C HN 0.758 nan 8.230 nan 0.000 0.467 186 L N 5.870 127.210 121.223 0.194 0.000 2.261 186 L HA 0.587 4.926 4.340 -0.001 0.000 0.289 186 L C 0.074 177.067 176.870 0.205 0.000 1.059 186 L CA 0.927 55.867 54.840 0.168 0.000 0.816 186 L CB 1.159 43.251 42.059 0.055 0.000 1.191 186 L HN 0.801 nan 8.230 nan 0.000 0.431 187 S N 4.079 119.870 115.700 0.152 0.000 2.451 187 S HA 0.784 5.253 4.470 -0.001 0.000 0.301 187 S C -0.745 173.858 174.600 0.005 0.000 1.116 187 S CA -0.614 57.600 58.200 0.023 0.000 1.093 187 S CB 1.591 64.825 63.200 0.057 0.000 1.017 187 S HN 0.420 nan 8.310 nan 0.000 0.482 188 V N 2.688 122.568 119.914 -0.057 0.000 2.623 188 V HA 0.463 4.582 4.120 -0.001 0.000 0.304 188 V C 0.114 176.187 176.094 -0.035 0.000 1.054 188 V CA -1.075 61.243 62.300 0.031 0.000 0.882 188 V CB 1.969 33.861 31.823 0.115 0.000 1.002 188 V HN 0.961 nan 8.190 nan 0.000 0.424 189 S N 2.343 118.034 115.700 -0.016 0.000 2.549 189 S HA 0.515 4.985 4.470 -0.001 0.000 0.279 189 S C -0.620 173.968 174.600 -0.020 0.000 1.321 189 S CA -0.194 57.988 58.200 -0.030 0.000 1.054 189 S CB 1.336 64.524 63.200 -0.021 0.000 0.899 189 S HN 0.807 nan 8.310 nan 0.000 0.497 190 D N 0.189 120.585 120.400 -0.007 0.000 2.559 190 D HA 0.631 5.270 4.640 -0.001 0.000 0.250 190 D C -1.854 174.502 176.300 0.093 0.000 1.135 190 D CA -0.719 53.294 54.000 0.023 0.000 0.955 190 D CB 1.618 42.431 40.800 0.022 0.000 1.442 190 D HN 0.504 nan 8.370 nan 0.000 0.471 191 F N 1.348 121.268 119.950 -0.050 0.000 2.557 191 F HA 0.342 4.868 4.527 -0.001 0.000 0.316 191 F C -1.178 174.611 175.800 -0.019 0.000 1.141 191 F CA -0.630 57.347 58.000 -0.038 0.000 0.922 191 F CB 1.547 40.521 39.000 -0.045 0.000 1.194 191 F HN 0.061 nan 8.300 nan 0.000 0.443 192 D N 4.005 124.144 120.400 -0.435 0.000 2.362 192 D HA 0.162 4.801 4.640 -0.001 0.000 0.247 192 D C 0.022 176.101 176.300 -0.369 0.000 1.050 192 D CA -0.222 53.626 54.000 -0.254 0.000 0.839 192 D CB 1.769 42.439 40.800 -0.216 0.000 1.283 192 D HN 0.551 nan 8.370 nan 0.000 0.477 193 N N 1.851 120.498 118.700 -0.089 0.000 2.512 193 N HA -0.035 4.704 4.740 -0.001 0.000 0.183 193 N C 1.127 176.589 175.510 -0.080 0.000 1.073 193 N CA 0.507 53.542 53.050 -0.024 0.000 0.911 193 N CB 0.261 38.790 38.487 0.070 0.000 0.964 193 N HN 0.513 nan 8.380 nan 0.000 0.447 194 A N 0.802 123.558 122.820 -0.107 0.000 1.844 194 A HA 0.034 4.353 4.320 -0.001 0.000 0.212 194 A C 1.916 179.406 177.584 -0.156 0.000 1.221 194 A CA 0.898 52.873 52.037 -0.103 0.000 0.607 194 A CB -0.097 18.857 19.000 -0.076 0.000 0.878 194 A HN 0.194 nan 8.150 nan 0.000 0.451 195 K N -0.544 119.736 120.400 -0.201 0.000 2.400 195 K HA 0.311 4.630 4.320 -0.001 0.000 0.194 195 K C 1.118 177.525 176.600 -0.322 0.000 1.033 195 K CA 0.404 56.563 56.287 -0.213 0.000 1.021 195 K CB -0.081 32.317 32.500 -0.170 0.000 0.808 195 K HN 0.672 nan 8.250 nan 0.000 0.505 196 G N 2.114 110.571 108.800 -0.572 0.000 2.562 196 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.250 196 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.250 196 G C -0.419 173.949 174.900 -0.886 0.000 1.269 196 G CA -0.654 43.888 45.100 -0.929 0.000 0.919 196 G HN 0.175 nan 8.290 nan 0.000 0.574 197 L N 2.289 123.293 121.223 -0.365 0.000 2.534 197 L HA 0.365 4.704 4.340 -0.001 0.000 0.271 197 L C 0.881 177.695 176.870 -0.093 0.000 1.178 197 L CA 0.713 55.536 54.840 -0.028 0.000 0.907 197 L CB -0.293 41.834 42.059 0.114 0.000 1.164 197 L HN 0.936 nan 8.230 nan 0.000 0.482 198 N N 2.152 120.806 118.700 -0.078 0.000 2.774 198 N HA 0.654 5.393 4.740 -0.001 0.000 0.264 198 N C -1.658 173.805 175.510 -0.078 0.000 1.415 198 N CA -0.973 52.029 53.050 -0.080 0.000 0.815 198 N CB 1.937 40.363 38.487 -0.102 0.000 1.514 198 N HN 0.072 nan 8.380 nan 0.000 0.523 199 V N 0.185 120.033 119.914 -0.110 0.000 2.540 199 V HA 0.490 4.609 4.120 -0.001 0.000 0.302 199 V C -0.519 175.398 176.094 -0.296 0.000 1.035 199 V CA -0.611 61.566 62.300 -0.205 0.000 0.873 199 V CB 1.371 33.049 31.823 -0.241 0.000 0.992 199 V HN 0.648 nan 8.190 nan 0.000 0.428 200 K N 3.073 123.277 120.400 -0.327 0.000 2.123 200 K HA 0.628 4.947 4.320 -0.001 0.000 0.259 200 K C -0.781 175.454 176.600 -0.607 0.000 0.960 200 K CA -0.547 55.503 56.287 -0.395 0.000 0.872 200 K CB 0.869 33.215 32.500 -0.256 0.000 1.079 200 K HN 0.680 nan 8.250 nan 0.000 0.440 201 H N 2.314 121.107 119.070 -0.460 0.000 2.609 201 H HA 0.271 4.826 4.556 -0.001 0.000 0.344 201 H C -1.105 173.896 175.328 -0.544 0.000 1.040 201 H CA -0.526 55.317 56.048 -0.341 0.000 1.216 201 H CB 1.022 30.673 29.762 -0.184 0.000 1.529 201 H HN 0.501 nan 8.280 nan 0.000 0.519 202 Y N 1.174 121.518 120.300 0.074 0.000 2.341 202 Y HA 0.195 4.744 4.550 -0.001 0.000 0.338 202 Y C 0.604 176.521 175.900 0.029 0.000 0.965 202 Y CA -0.821 57.290 58.100 0.017 0.000 1.108 202 Y CB 1.768 40.193 38.460 -0.059 0.000 1.180 202 Y HN 0.384 nan 8.280 nan 0.000 0.458 203 K N 4.461 124.944 120.400 0.137 0.000 2.312 203 K HA 0.429 4.748 4.320 -0.001 0.000 0.287 203 K C -1.021 175.615 176.600 0.059 0.000 1.062 203 K CA -0.129 56.209 56.287 0.085 0.000 0.934 203 K CB 0.308 32.830 32.500 0.036 0.000 1.027 203 K HN 0.712 nan 8.250 nan 0.000 0.478 204 I N 5.621 126.255 120.570 0.106 0.000 2.304 204 I HA 0.271 4.441 4.170 -0.001 0.000 0.291 204 I C 0.299 176.476 176.117 0.100 0.000 1.018 204 I CA -0.515 60.850 61.300 0.107 0.000 1.260 204 I CB 1.165 39.314 38.000 0.248 0.000 1.390 204 I HN 0.499 nan 8.210 nan 0.000 0.475 205 R N 4.964 125.356 120.500 -0.181 0.000 2.720 205 R HA 0.557 4.897 4.340 -0.001 0.000 0.272 205 R C -0.558 175.744 176.300 0.003 0.000 0.991 205 R CA -1.028 54.993 56.100 -0.131 0.000 1.010 205 R CB 2.268 32.415 30.300 -0.255 0.000 1.141 205 R HN 0.443 nan 8.270 nan 0.000 0.494 206 K N 1.881 122.329 120.400 0.079 0.000 2.207 206 K HA 0.277 4.596 4.320 -0.001 0.000 0.255 206 K C 0.048 176.686 176.600 0.063 0.000 0.941 206 K CA -0.463 55.784 56.287 -0.067 0.000 0.825 206 K CB 1.145 33.451 32.500 -0.324 0.000 1.119 206 K HN 0.428 nan 8.250 nan 0.000 0.430 207 L N 3.649 124.888 121.223 0.026 0.000 2.783 207 L HA 0.020 4.359 4.340 -0.001 0.000 0.236 207 L C 0.144 176.997 176.870 -0.028 0.000 1.225 207 L CA 0.558 55.416 54.840 0.029 0.000 1.026 207 L CB -0.416 41.612 42.059 -0.052 0.000 1.314 207 L HN 0.988 nan 8.230 nan 0.000 0.489 208 D N -0.700 119.680 120.400 -0.034 0.000 3.737 208 D HA -0.327 4.312 4.640 -0.001 0.000 0.202 208 D C 1.689 177.970 176.300 -0.032 0.000 1.425 208 D CA 2.051 56.036 54.000 -0.026 0.000 2.310 208 D CB -0.942 39.852 40.800 -0.010 0.000 1.268 208 D HN 0.409 nan 8.370 nan 0.000 0.410 209 S N -0.661 115.016 115.700 -0.038 0.000 2.440 209 S HA 0.229 4.698 4.470 -0.001 0.000 0.238 209 S C 1.924 176.496 174.600 -0.046 0.000 1.010 209 S CA 1.946 60.123 58.200 -0.039 0.000 0.972 209 S CB 0.142 63.316 63.200 -0.045 0.000 0.774 209 S HN 1.548 nan 8.310 nan 0.000 0.501 210 G N -0.030 108.725 108.800 -0.074 0.000 2.164 210 G HA2 0.079 4.038 3.960 -0.001 0.000 0.154 210 G HA3 0.079 4.038 3.960 -0.001 0.000 0.154 210 G C 0.145 174.916 174.900 -0.216 0.000 1.014 210 G CA -0.441 44.584 45.100 -0.125 0.000 0.683 210 G HN 0.939 nan 8.290 nan 0.000 0.500 211 G N -0.210 108.509 108.800 -0.136 0.000 2.400 211 G HA2 0.622 4.581 3.960 -0.001 0.000 0.301 211 G HA3 0.622 4.581 3.960 -0.001 0.000 0.301 211 G C -0.435 174.447 174.900 -0.030 0.000 1.154 211 G CA -0.797 44.273 45.100 -0.050 0.000 0.852 211 G HN 0.211 nan 8.290 nan 0.000 0.511 212 F N 0.912 121.031 119.950 0.281 0.000 2.404 212 F HA 0.548 5.075 4.527 -0.001 0.000 0.339 212 F C 0.136 176.227 175.800 0.484 0.000 1.105 212 F CA -0.317 57.890 58.000 0.345 0.000 1.087 212 F CB 1.483 40.647 39.000 0.272 0.000 1.143 212 F HN 0.592 nan 8.300 nan 0.000 0.491 213 Y N 0.543 121.087 120.300 0.405 0.000 2.581 213 Y HA 0.638 5.188 4.550 -0.001 0.000 0.337 213 Y C -0.760 175.318 175.900 0.297 0.000 1.108 213 Y CA -1.204 57.098 58.100 0.337 0.000 1.033 213 Y CB 0.951 39.499 38.460 0.146 0.000 1.318 213 Y HN 0.474 nan 8.280 nan 0.000 0.459 214 I N 0.832 121.544 120.570 0.237 0.000 3.039 214 I HA 0.062 4.231 4.170 -0.001 0.000 0.270 214 I C 0.738 176.984 176.117 0.216 0.000 1.150 214 I CA 0.691 62.054 61.300 0.106 0.000 1.448 214 I CB 0.832 38.865 38.000 0.055 0.000 1.197 214 I HN 0.789 nan 8.210 nan 0.000 0.450 215 T N -1.035 113.720 114.554 0.336 0.000 2.885 215 T HA 0.199 4.548 4.350 -0.001 0.000 0.285 215 T C 1.174 176.075 174.700 0.334 0.000 1.019 215 T CA -0.227 62.059 62.100 0.310 0.000 1.010 215 T CB 1.526 70.510 68.868 0.194 0.000 1.022 215 T HN 0.214 nan 8.240 nan 0.000 0.466 216 S N 3.987 119.799 115.700 0.187 0.000 2.419 216 S HA -0.140 4.329 4.470 -0.001 0.000 0.235 216 S C 1.941 176.490 174.600 -0.086 0.000 1.019 216 S CA 0.682 58.837 58.200 -0.076 0.000 0.982 216 S CB -0.425 62.708 63.200 -0.112 0.000 0.789 216 S HN 0.797 nan 8.310 nan 0.000 0.490 217 R N 1.545 122.030 120.500 -0.025 0.000 2.133 217 R HA -0.050 4.289 4.340 -0.001 0.000 0.247 217 R C 0.067 176.287 176.300 -0.134 0.000 1.151 217 R CA 1.496 57.560 56.100 -0.060 0.000 0.971 217 R CB -0.471 29.820 30.300 -0.015 0.000 0.866 217 R HN 0.462 nan 8.270 nan 0.000 0.447 218 T N 0.608 115.076 114.554 -0.144 0.000 2.949 218 T HA 0.362 4.712 4.350 -0.001 0.000 0.300 218 T C -0.935 173.453 174.700 -0.519 0.000 0.988 218 T CA -0.795 61.083 62.100 -0.370 0.000 0.993 218 T CB 2.156 70.825 68.868 -0.331 0.000 0.984 218 T HN 0.018 nan 8.240 nan 0.000 0.442 219 Q N 1.916 121.247 119.800 -0.781 0.000 2.413 219 Q HA 0.793 5.132 4.340 -0.001 0.000 0.276 219 Q C -1.403 174.050 176.000 -0.911 0.000 1.099 219 Q CA -1.003 54.449 55.803 -0.585 0.000 0.814 219 Q CB 2.434 31.031 28.738 -0.235 0.000 1.379 219 Q HN 0.602 nan 8.270 nan 0.000 0.436 220 F N -0.349 119.680 119.950 0.131 0.000 2.599 220 F HA 0.363 4.890 4.527 -0.001 0.000 0.311 220 F C 0.830 176.768 175.800 0.229 0.000 1.076 220 F CA -0.895 57.182 58.000 0.128 0.000 0.937 220 F CB 1.378 40.444 39.000 0.110 0.000 1.282 220 F HN 0.504 nan 8.300 nan 0.000 0.460 221 N N -0.319 118.589 118.700 0.345 0.000 2.457 221 N HA -0.003 4.736 4.740 -0.001 0.000 0.180 221 N C -0.344 175.405 175.510 0.399 0.000 1.050 221 N CA 0.644 53.874 53.050 0.300 0.000 0.906 221 N CB 0.254 38.848 38.487 0.178 0.000 0.968 221 N HN 0.574 nan 8.380 nan 0.000 0.445 222 S N -1.435 114.464 115.700 0.332 0.000 2.596 222 S HA 0.302 4.771 4.470 -0.001 0.000 0.270 222 S C 0.554 175.022 174.600 -0.221 0.000 1.155 222 S CA -0.849 57.385 58.200 0.056 0.000 0.827 222 S CB 1.112 64.332 63.200 0.033 0.000 1.130 222 S HN -0.077 nan 8.310 nan 0.000 0.467 223 L N 1.169 122.033 121.223 -0.597 0.000 2.083 223 L HA -0.175 4.164 4.340 -0.001 0.000 0.209 223 L C 2.862 179.627 176.870 -0.174 0.000 1.083 223 L CA 1.438 56.002 54.840 -0.460 0.000 0.752 223 L CB -0.630 41.153 42.059 -0.460 0.000 0.899 223 L HN 0.761 nan 8.230 nan 0.000 0.433 224 Q N -0.117 119.699 119.800 0.026 0.000 2.167 224 Q HA -0.265 4.074 4.340 -0.001 0.000 0.202 224 Q C 1.968 177.959 176.000 -0.014 0.000 0.970 224 Q CA 1.364 57.274 55.803 0.179 0.000 0.855 224 Q CB -0.469 28.420 28.738 0.251 0.000 0.911 224 Q HN 0.570 nan 8.270 nan 0.000 0.438 225 Q N 0.725 120.501 119.800 -0.041 0.000 2.084 225 Q HA -0.056 4.283 4.340 -0.001 0.000 0.202 225 Q C 2.246 178.061 176.000 -0.309 0.000 0.978 225 Q CA 0.974 56.752 55.803 -0.042 0.000 0.844 225 Q CB -0.056 28.751 28.738 0.114 0.000 0.898 225 Q HN 0.416 nan 8.270 nan 0.000 0.426 226 L N -0.344 120.513 121.223 -0.610 0.000 1.989 226 L HA -0.211 4.129 4.340 -0.001 0.000 0.211 226 L C 2.122 178.648 176.870 -0.575 0.000 1.071 226 L CA 1.218 55.383 54.840 -1.126 0.000 0.749 226 L CB -0.263 41.353 42.059 -0.738 0.000 0.890 226 L HN 0.088 nan 8.230 nan 0.000 0.431 227 V N 0.188 119.791 119.914 -0.518 0.000 2.407 227 V HA -0.293 3.826 4.120 -0.001 0.000 0.248 227 V C 2.797 178.653 176.094 -0.396 0.000 1.055 227 V CA 1.588 63.528 62.300 -0.601 0.000 1.049 227 V CB -1.092 30.079 31.823 -1.087 0.000 0.662 227 V HN 0.625 nan 8.190 nan 0.000 0.455 228 A N -0.642 122.027 122.820 -0.251 0.000 1.883 228 A HA -0.306 4.013 4.320 -0.001 0.000 0.217 228 A C 2.172 179.671 177.584 -0.141 0.000 1.186 228 A CA 2.372 54.330 52.037 -0.132 0.000 0.624 228 A CB -0.832 18.144 19.000 -0.039 0.000 0.822 228 A HN 0.637 nan 8.150 nan 0.000 0.444 229 Y N -1.022 119.112 120.300 -0.277 0.000 2.114 229 Y HA -0.241 4.308 4.550 -0.001 0.000 0.284 229 Y C 2.138 177.867 175.900 -0.286 0.000 1.143 229 Y CA 1.991 59.935 58.100 -0.260 0.000 1.135 229 Y CB -0.571 37.699 38.460 -0.317 0.000 0.980 229 Y HN 0.385 nan 8.280 nan 0.000 0.499 230 Y N -0.608 119.561 120.300 -0.218 0.000 2.571 230 Y HA -0.117 4.432 4.550 -0.001 0.000 0.294 230 Y C 2.512 178.177 175.900 -0.391 0.000 1.141 230 Y CA 0.834 58.748 58.100 -0.309 0.000 1.308 230 Y CB -0.151 38.139 38.460 -0.283 0.000 1.002 230 Y HN 0.072 nan 8.280 nan 0.000 0.551 231 S N -0.290 115.246 115.700 -0.273 0.000 2.447 231 S HA -0.118 4.352 4.470 -0.001 0.000 0.233 231 S C 1.733 176.173 174.600 -0.267 0.000 1.006 231 S CA 1.108 59.152 58.200 -0.261 0.000 0.957 231 S CB -0.056 63.020 63.200 -0.206 0.000 0.773 231 S HN 0.449 nan 8.310 nan 0.000 0.507 232 K N -0.398 119.772 120.400 -0.383 0.000 2.313 232 K HA 0.164 4.483 4.320 -0.001 0.000 0.197 232 K C -0.177 175.900 176.600 -0.872 0.000 1.061 232 K CA 0.509 56.452 56.287 -0.572 0.000 0.980 232 K CB 0.422 32.580 32.500 -0.570 0.000 0.888 232 K HN 0.320 nan 8.250 nan 0.000 0.502 233 H N -1.522 117.286 119.070 -0.436 0.000 2.947 233 H HA 0.223 4.778 4.556 -0.001 0.000 0.354 233 H C 0.100 175.310 175.328 -0.196 0.000 1.085 233 H CA -0.358 55.482 56.048 -0.346 0.000 1.253 233 H CB 2.144 31.642 29.762 -0.439 0.000 1.757 233 H HN 0.026 nan 8.280 nan 0.000 0.523 234 A N 2.769 125.585 122.820 -0.006 0.000 1.908 234 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 234 A C 0.889 178.577 177.584 0.174 0.000 1.181 234 A CA 1.813 53.868 52.037 0.029 0.000 0.627 234 A CB -0.275 18.688 19.000 -0.061 0.000 0.818 234 A HN 0.917 nan 8.150 nan 0.000 0.445 235 D N -2.179 118.319 120.400 0.164 0.000 4.056 235 D HA -0.240 4.399 4.640 -0.001 0.000 0.169 235 D C 1.277 177.652 176.300 0.125 0.000 0.744 235 D CA 2.470 56.580 54.000 0.184 0.000 1.006 235 D CB -1.449 39.551 40.800 0.332 0.000 0.448 235 D HN 0.537 nan 8.370 nan 0.000 0.412 236 G N 0.077 108.960 108.800 0.139 0.000 2.985 236 G HA2 0.351 4.311 3.960 -0.001 0.000 0.209 236 G HA3 0.351 4.311 3.960 -0.001 0.000 0.209 236 G C 0.571 175.454 174.900 -0.028 0.000 1.165 236 G CA -0.060 45.077 45.100 0.062 0.000 0.776 236 G HN 0.296 nan 8.290 nan 0.000 0.541 237 L N 0.487 121.628 121.223 -0.136 0.000 2.439 237 L HA 0.115 4.454 4.340 -0.001 0.000 0.261 237 L C 2.346 179.209 176.870 -0.011 0.000 1.153 237 L CA -0.931 53.746 54.840 -0.273 0.000 0.808 237 L CB 1.006 42.778 42.059 -0.478 0.000 1.126 237 L HN 0.266 nan 8.230 nan 0.000 0.460 238 C N -1.155 118.218 119.300 0.122 0.000 2.410 238 C HA -0.051 4.408 4.460 -0.001 0.000 0.281 238 C C 0.902 175.993 174.990 0.168 0.000 1.318 238 C CA 0.310 59.419 59.018 0.152 0.000 1.776 238 C CB -1.236 26.609 27.740 0.176 0.000 1.942 238 C HN 0.856 nan 8.230 nan 0.000 0.508 239 H N -0.399 118.673 119.070 0.003 0.000 3.060 239 H HA 0.330 4.885 4.556 -0.001 0.000 0.330 239 H C -0.982 174.317 175.328 -0.048 0.000 1.305 239 H CA -0.602 55.442 56.048 -0.007 0.000 1.209 239 H CB 1.166 30.937 29.762 0.014 0.000 1.913 239 H HN 0.257 nan 8.280 nan 0.000 0.534 240 R N 2.435 122.723 120.500 -0.353 0.000 2.697 240 R HA 0.083 4.423 4.340 -0.001 0.000 0.265 240 R C -0.053 176.259 176.300 0.021 0.000 1.009 240 R CA -0.193 55.797 56.100 -0.183 0.000 1.099 240 R CB 0.313 30.444 30.300 -0.282 0.000 0.965 240 R HN 0.382 nan 8.270 nan 0.000 0.428 241 L N 4.685 125.827 121.223 -0.135 0.000 2.456 241 L HA 0.065 4.404 4.340 -0.001 0.000 0.277 241 L C 1.630 178.494 176.870 -0.011 0.000 1.124 241 L CA -0.092 54.613 54.840 -0.225 0.000 0.880 241 L CB 0.932 42.486 42.059 -0.842 0.000 1.192 241 L HN 0.899 nan 8.230 nan 0.000 0.463 242 T N -2.156 112.510 114.554 0.188 0.000 3.042 242 T HA 0.107 4.456 4.350 -0.001 0.000 0.245 242 T C 0.658 175.496 174.700 0.231 0.000 1.029 242 T CA 0.152 62.361 62.100 0.182 0.000 1.120 242 T CB 0.443 69.409 68.868 0.164 0.000 0.917 242 T HN 0.507 nan 8.240 nan 0.000 0.467 243 T N 1.713 116.457 114.554 0.317 0.000 3.172 243 T HA 0.550 4.899 4.350 -0.001 0.000 0.320 243 T C -0.826 173.866 174.700 -0.013 0.000 1.085 243 T CA -0.758 61.437 62.100 0.157 0.000 1.052 243 T CB 2.153 71.068 68.868 0.078 0.000 1.107 243 T HN 0.105 nan 8.240 nan 0.000 0.458 244 V N 2.028 121.872 119.914 -0.115 0.000 2.585 244 V HA 0.081 4.200 4.120 -0.001 0.000 0.296 244 V C 1.352 177.346 176.094 -0.168 0.000 1.035 244 V CA -0.720 61.372 62.300 -0.347 0.000 1.084 244 V CB 0.585 32.354 31.823 -0.089 0.000 0.953 244 V HN 1.193 nan 8.190 nan 0.000 0.483 245 C N 9.319 128.485 119.300 -0.224 0.000 2.517 245 C HA 0.193 4.652 4.460 -0.001 0.000 0.403 245 C C -1.583 173.478 174.990 0.118 0.000 1.467 245 C CA -1.000 57.964 59.018 -0.090 0.000 1.542 245 C CB -0.531 27.041 27.740 -0.279 0.000 2.482 245 C HN 0.777 nan 8.230 nan 0.000 0.610 246 P HA 0.442 nan 4.420 nan 0.000 0.276 246 P C -0.419 176.989 177.300 0.180 0.000 1.244 246 P CA 0.000 63.176 63.100 0.127 0.000 0.801 246 P CB 0.972 32.715 31.700 0.072 0.000 1.006 247 T N -0.704 113.957 114.554 0.179 0.000 2.816 247 T HA 0.533 4.882 4.350 -0.001 0.000 0.299 247 T C -0.738 174.015 174.700 0.088 0.000 1.230 247 T CA -0.565 61.635 62.100 0.166 0.000 1.007 247 T CB 0.588 69.608 68.868 0.253 0.000 1.289 247 T HN 0.398 nan 8.240 nan 0.000 0.508 248 S N 1.576 117.294 115.700 0.030 0.000 2.601 248 S HA 0.525 4.994 4.470 -0.001 0.000 0.271 248 S C -0.175 174.318 174.600 -0.178 0.000 1.305 248 S CA -0.679 57.502 58.200 -0.033 0.000 1.022 248 S CB 0.259 63.443 63.200 -0.027 0.000 0.940 248 S HN 0.731 nan 8.310 nan 0.000 0.525 249 K N 2.263 122.506 120.400 -0.260 0.000 2.448 249 K HA 0.228 4.547 4.320 -0.001 0.000 0.278 249 K C -2.261 174.042 176.600 -0.495 0.000 1.009 249 K CA -1.129 54.775 56.287 -0.638 0.000 0.995 249 K CB -0.254 32.056 32.500 -0.318 0.000 0.917 249 K HN 0.483 nan 8.250 nan 0.000 0.481 250 P HA -0.089 nan 4.420 nan 0.000 0.270 250 P C -0.685 176.596 177.300 -0.031 0.000 1.221 250 P CA 0.002 62.909 63.100 -0.322 0.000 0.788 250 P CB 0.457 31.951 31.700 -0.343 0.000 0.904 251 Q N 0.767 120.576 119.800 0.015 0.000 2.296 251 Q HA 0.137 4.476 4.340 -0.001 0.000 0.262 251 Q C 0.545 176.624 176.000 0.131 0.000 0.981 251 Q CA 0.244 56.116 55.803 0.114 0.000 0.905 251 Q CB 0.399 29.170 28.738 0.055 0.000 1.186 251 Q HN 0.555 nan 8.270 nan 0.000 0.399 252 T N -0.057 114.606 114.554 0.182 0.000 2.766 252 T HA 0.090 4.439 4.350 -0.001 0.000 0.295 252 T C 0.285 175.048 174.700 0.104 0.000 1.024 252 T CA -0.639 61.471 62.100 0.017 0.000 1.018 252 T CB 0.630 69.467 68.868 -0.051 0.000 1.002 252 T HN 0.433 nan 8.240 nan 0.000 0.532 253 Q N 0.688 120.477 119.800 -0.018 0.000 2.503 253 Q HA 0.512 4.852 4.340 -0.001 0.000 0.227 253 Q C 0.418 176.632 176.000 0.357 0.000 1.109 253 Q CA 0.835 56.705 55.803 0.113 0.000 0.922 253 Q CB -0.360 28.370 28.738 -0.012 0.000 1.249 253 Q HN 1.328 nan 8.270 nan 0.000 0.530 254 G N 1.235 110.292 108.800 0.429 0.000 2.712 254 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.683 254 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.683 254 G C 0.032 175.078 174.900 0.242 0.000 1.320 254 G CA -0.368 44.976 45.100 0.407 0.000 0.847 254 G HN 0.537 nan 8.290 nan 0.000 0.553 255 L N 0.586 121.700 121.223 -0.181 0.000 2.179 255 L HA 0.477 4.816 4.340 -0.001 0.000 0.208 255 L C 1.580 178.246 176.870 -0.341 0.000 1.096 255 L CA 1.751 56.262 54.840 -0.549 0.000 0.779 255 L CB -0.464 40.832 42.059 -1.272 0.000 0.922 255 L HN 1.507 nan 8.230 nan 0.000 0.443 256 A N -0.911 121.628 122.820 -0.468 0.000 2.583 256 A HA 0.288 4.607 4.320 -0.001 0.000 0.292 256 A C -0.959 175.989 177.584 -1.060 0.000 1.045 256 A CA -0.744 50.712 52.037 -0.969 0.000 0.672 256 A CB 0.650 19.427 19.000 -0.372 0.000 1.283 256 A HN -0.042 nan 8.150 nan 0.000 0.419 257 K N 1.112 120.613 120.400 -1.497 0.000 2.504 257 K HA 0.112 4.431 4.320 -0.001 0.000 0.278 257 K C -0.472 175.887 176.600 -0.402 0.000 1.025 257 K CA 1.290 57.056 56.287 -0.868 0.000 1.093 257 K CB -0.113 31.897 32.500 -0.817 0.000 0.873 257 K HN 0.582 nan 8.250 nan 0.000 0.483 258 D N 0.679 120.954 120.400 -0.208 0.000 3.039 258 D HA -0.220 4.420 4.640 -0.001 0.000 0.222 258 D C -0.661 175.631 176.300 -0.013 0.000 1.179 258 D CA 1.451 55.407 54.000 -0.073 0.000 0.880 258 D CB -1.231 39.528 40.800 -0.068 0.000 1.115 258 D HN 0.629 nan 8.370 nan 0.000 0.416 259 A N -0.270 122.520 122.820 -0.051 0.000 2.309 259 A HA 0.437 4.756 4.320 -0.001 0.000 0.290 259 A C 0.691 178.369 177.584 0.156 0.000 1.206 259 A CA 0.133 52.171 52.037 0.002 0.000 0.850 259 A CB 0.563 19.473 19.000 -0.149 0.000 1.118 259 A HN 0.496 nan 8.150 nan 0.000 0.523 260 W N 1.747 123.016 121.300 -0.050 0.000 5.120 260 W HA 0.127 4.786 4.660 -0.001 0.000 0.169 260 W C -0.719 175.802 176.519 0.002 0.000 3.038 260 W CA 0.062 57.393 57.345 -0.024 0.000 1.923 260 W CB -0.018 29.436 29.460 -0.011 0.000 1.318 260 W HN 0.575 nan 8.180 nan 0.000 0.926 261 E N 3.213 123.250 120.200 -0.271 0.000 2.003 261 E HA 0.175 4.524 4.350 -0.001 0.000 0.279 261 E C -0.003 176.531 176.600 -0.110 0.000 1.132 261 E CA 0.052 56.272 56.400 -0.300 0.000 0.888 261 E CB 0.154 29.777 29.700 -0.129 0.000 1.056 261 E HN 0.288 nan 8.360 nan 0.000 0.399 262 I N 0.575 121.079 120.570 -0.109 0.000 2.676 262 I HA 0.573 4.742 4.170 -0.001 0.000 0.309 262 I C -2.329 173.785 176.117 -0.005 0.000 0.990 262 I CA -2.750 58.555 61.300 0.008 0.000 1.168 262 I CB 1.442 39.496 38.000 0.089 0.000 1.343 262 I HN 0.084 nan 8.210 nan 0.000 0.482 263 P HA 0.177 nan 4.420 nan 0.000 0.276 263 P C 0.159 177.440 177.300 -0.032 0.000 1.230 263 P CA -0.310 62.776 63.100 -0.022 0.000 0.776 263 P CB 1.357 33.047 31.700 -0.015 0.000 0.888 264 R N 2.101 122.532 120.500 -0.116 0.000 2.153 264 R HA -0.227 4.112 4.340 -0.001 0.000 0.252 264 R C 1.165 177.430 176.300 -0.058 0.000 1.158 264 R CA 2.030 58.027 56.100 -0.173 0.000 0.975 264 R CB -0.090 30.052 30.300 -0.264 0.000 0.871 264 R HN 0.504 nan 8.270 nan 0.000 0.450 265 E N -0.582 119.586 120.200 -0.054 0.000 2.427 265 E HA -0.072 4.278 4.350 -0.001 0.000 0.196 265 E C 1.612 178.182 176.600 -0.051 0.000 1.028 265 E CA 0.994 57.363 56.400 -0.051 0.000 0.864 265 E CB 0.217 29.880 29.700 -0.062 0.000 0.813 265 E HN 0.388 nan 8.360 nan 0.000 0.514 266 S N 0.049 115.735 115.700 -0.023 0.000 2.561 266 S HA 0.031 4.500 4.470 -0.001 0.000 0.225 266 S C 0.580 175.158 174.600 -0.035 0.000 0.977 266 S CA 0.067 58.217 58.200 -0.083 0.000 0.926 266 S CB -0.170 63.041 63.200 0.018 0.000 0.769 266 S HN 0.088 nan 8.310 nan 0.000 0.533 267 L N 1.634 122.898 121.223 0.069 0.000 2.322 267 L HA 0.552 4.891 4.340 -0.001 0.000 0.281 267 L C 0.200 177.084 176.870 0.023 0.000 1.014 267 L CA -0.654 54.249 54.840 0.106 0.000 0.815 267 L CB 1.678 43.870 42.059 0.222 0.000 1.247 267 L HN 0.053 nan 8.230 nan 0.000 0.421 268 R N 4.025 124.519 120.500 -0.010 0.000 2.295 268 R HA 0.559 4.898 4.340 -0.001 0.000 0.324 268 R C -1.169 175.092 176.300 -0.064 0.000 0.968 268 R CA -0.650 55.420 56.100 -0.050 0.000 0.837 268 R CB 0.951 31.221 30.300 -0.050 0.000 1.133 268 R HN 0.603 nan 8.270 nan 0.000 0.450 269 L N 4.483 125.611 121.223 -0.157 0.000 2.305 269 L HA 0.281 4.620 4.340 -0.001 0.000 0.281 269 L C 0.713 177.551 176.870 -0.052 0.000 1.085 269 L CA -0.080 54.638 54.840 -0.204 0.000 0.813 269 L CB 1.518 43.131 42.059 -0.743 0.000 1.157 269 L HN 0.777 nan 8.230 nan 0.000 0.436 270 E N 1.683 121.990 120.200 0.179 0.000 2.444 270 E HA 0.184 4.533 4.350 -0.001 0.000 0.203 270 E C -0.627 176.166 176.600 0.322 0.000 0.847 270 E CA 0.148 56.661 56.400 0.189 0.000 1.142 270 E CB 1.258 31.007 29.700 0.081 0.000 1.125 270 E HN 0.337 nan 8.360 nan 0.000 0.521 271 V N 2.295 122.414 119.914 0.342 0.000 2.525 271 V HA 0.196 4.315 4.120 -0.001 0.000 0.299 271 V C -0.689 175.333 176.094 -0.120 0.000 1.034 271 V CA -0.916 61.460 62.300 0.127 0.000 0.863 271 V CB 1.769 33.621 31.823 0.049 0.000 0.999 271 V HN 0.042 nan 8.190 nan 0.000 0.423 272 K N 3.813 123.804 120.400 -0.682 0.000 2.379 272 K HA 0.379 4.699 4.320 -0.001 0.000 0.284 272 K C 0.416 176.683 176.600 -0.556 0.000 1.044 272 K CA -0.165 55.363 56.287 -1.265 0.000 0.974 272 K CB 0.694 32.343 32.500 -1.419 0.000 0.962 272 K HN 0.656 nan 8.250 nan 0.000 0.474 273 L N 2.613 123.575 121.223 -0.435 0.000 2.515 273 L HA 0.304 4.643 4.340 -0.001 0.000 0.223 273 L C 0.961 177.721 176.870 -0.183 0.000 1.079 273 L CA -0.032 54.689 54.840 -0.198 0.000 0.857 273 L CB 0.680 42.692 42.059 -0.078 0.000 1.050 273 L HN 0.816 nan 8.230 nan 0.000 0.476 274 G N -0.296 108.360 108.800 -0.241 0.000 2.579 274 G HA2 0.443 4.402 3.960 -0.001 0.000 0.292 274 G HA3 0.443 4.402 3.960 -0.001 0.000 0.292 274 G C -2.041 172.767 174.900 -0.152 0.000 1.484 274 G CA -0.342 44.665 45.100 -0.155 0.000 0.813 274 G HN -0.131 nan 8.290 nan 0.000 0.515 275 Q N 0.052 119.793 119.800 -0.097 0.000 2.269 275 Q HA 0.622 4.961 4.340 -0.001 0.000 0.263 275 Q C -0.032 175.938 176.000 -0.049 0.000 0.983 275 Q CA -0.498 55.267 55.803 -0.062 0.000 0.777 275 Q CB 1.705 30.408 28.738 -0.059 0.000 1.273 275 Q HN 1.029 nan 8.270 nan 0.000 0.440 276 G N 0.190 108.967 108.800 -0.040 0.000 2.887 276 G HA2 0.341 4.300 3.960 -0.001 0.000 0.277 276 G HA3 0.341 4.300 3.960 -0.001 0.000 0.277 276 G C 0.827 175.650 174.900 -0.127 0.000 1.346 276 G CA -0.224 44.836 45.100 -0.068 0.000 1.058 276 G HN 0.953 nan 8.290 nan 0.000 0.535 277 C N -2.249 116.883 119.300 -0.281 0.000 2.432 277 C HA 0.158 4.617 4.460 -0.001 0.000 0.280 277 C C 2.085 176.795 174.990 -0.467 0.000 1.353 277 C CA 0.437 59.179 59.018 -0.461 0.000 1.766 277 C CB -1.618 25.673 27.740 -0.748 0.000 1.924 277 C HN 0.431 nan 8.230 nan 0.000 0.509 278 F N 1.407 121.339 119.950 -0.029 0.000 2.731 278 F HA 0.481 5.007 4.527 -0.002 0.000 0.298 278 F C 1.648 177.428 175.800 -0.034 0.000 1.106 278 F CA 0.506 58.477 58.000 -0.048 0.000 1.329 278 F CB 0.159 39.103 39.000 -0.092 0.000 1.100 278 F HN 0.552 nan 8.300 nan 0.000 0.592 279 G N -0.127 108.737 108.800 0.106 0.000 2.392 279 G HA2 0.395 4.354 3.960 -0.001 0.000 0.260 279 G HA3 0.395 4.354 3.960 -0.001 0.000 0.260 279 G C -1.711 173.226 174.900 0.062 0.000 1.226 279 G CA -0.832 44.316 45.100 0.081 0.000 0.913 279 G HN 0.006 nan 8.290 nan 0.000 0.483 280 E N -1.545 118.706 120.200 0.086 0.000 2.408 280 E HA 0.611 4.961 4.350 -0.001 0.000 0.275 280 E C -1.408 175.245 176.600 0.088 0.000 0.935 280 E CA -0.885 55.561 56.400 0.077 0.000 0.775 280 E CB 3.148 32.962 29.700 0.189 0.000 1.277 280 E HN 0.339 nan 8.360 nan 0.000 0.455 281 V N 1.309 121.213 119.914 -0.016 0.000 2.495 281 V HA 0.456 4.575 4.120 -0.001 0.000 0.298 281 V C -1.273 174.758 176.094 -0.105 0.000 1.031 281 V CA -0.729 61.578 62.300 0.012 0.000 0.871 281 V CB 0.837 32.651 31.823 -0.015 0.000 0.988 281 V HN 0.589 nan 8.190 nan 0.000 0.432 282 W N 3.448 124.724 121.300 -0.039 0.000 2.844 282 W HA 0.687 5.346 4.660 -0.001 0.000 0.340 282 W C 0.034 176.560 176.519 0.011 0.000 1.093 282 W CA -0.654 56.674 57.345 -0.028 0.000 1.212 282 W CB 2.003 31.417 29.460 -0.077 0.000 1.422 282 W HN 0.433 nan 8.180 nan 0.000 0.515 283 M N 2.896 122.643 119.600 0.246 0.000 2.235 283 M HA 0.685 5.164 4.480 -0.001 0.000 0.351 283 M C 0.240 176.621 176.300 0.135 0.000 1.178 283 M CA 0.679 56.063 55.300 0.140 0.000 1.143 283 M CB 0.513 33.116 32.600 0.005 0.000 1.530 283 M HN 0.632 nan 8.290 nan 0.000 0.461 284 G N 1.935 110.763 108.800 0.047 0.000 2.650 284 G HA2 0.598 4.557 3.960 -0.001 0.000 0.310 284 G HA3 0.598 4.557 3.960 -0.001 0.000 0.310 284 G C -1.739 173.171 174.900 0.017 0.000 1.270 284 G CA -0.499 44.624 45.100 0.038 0.000 0.810 284 G HN 0.590 nan 8.290 nan 0.000 0.493 285 T N -0.017 114.559 114.554 0.037 0.000 2.952 285 T HA 0.448 4.797 4.350 -0.001 0.000 0.305 285 T C -1.935 172.828 174.700 0.104 0.000 1.064 285 T CA -0.186 61.944 62.100 0.049 0.000 1.008 285 T CB 1.973 70.836 68.868 -0.009 0.000 1.078 285 T HN 0.601 nan 8.240 nan 0.000 0.459 286 W N 3.918 125.190 121.300 -0.046 0.000 2.478 286 W HA 0.547 5.206 4.660 -0.001 0.000 0.318 286 W C 0.607 177.093 176.519 -0.056 0.000 1.062 286 W CA -0.396 56.922 57.345 -0.045 0.000 1.210 286 W CB 0.513 29.942 29.460 -0.052 0.000 1.325 286 W HN 0.808 nan 8.180 nan 0.000 0.496 287 N N 3.816 121.904 118.700 -1.020 0.000 2.714 287 N HA -0.217 4.522 4.740 -0.001 0.000 0.250 287 N C 0.952 176.148 175.510 -0.522 0.000 1.117 287 N CA 2.584 55.008 53.050 -1.042 0.000 0.719 287 N CB -1.203 36.145 38.487 -1.898 0.000 1.081 287 N HN 1.474 nan 8.380 nan 0.000 0.557 288 G N -2.932 105.680 108.800 -0.313 0.000 2.184 288 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.264 288 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.264 288 G C 0.783 175.597 174.900 -0.143 0.000 0.975 288 G CA 1.519 46.505 45.100 -0.190 0.000 0.642 288 G HN 1.392 nan 8.290 nan 0.000 0.536 289 T N -4.427 110.042 114.554 -0.142 0.000 2.993 289 T HA 0.448 4.797 4.350 -0.001 0.000 0.260 289 T C 0.499 175.193 174.700 -0.010 0.000 0.939 289 T CA 1.193 63.244 62.100 -0.081 0.000 0.886 289 T CB 1.038 69.849 68.868 -0.094 0.000 1.209 289 T HN 0.542 nan 8.240 nan 0.000 0.518 290 T N 2.697 117.290 114.554 0.065 0.000 2.847 290 T HA 0.589 4.938 4.350 -0.001 0.000 0.291 290 T C -0.658 174.099 174.700 0.095 0.000 0.998 290 T CA -0.662 61.508 62.100 0.118 0.000 0.967 290 T CB 2.125 71.156 68.868 0.271 0.000 0.954 290 T HN 0.202 nan 8.240 nan 0.000 0.441 291 R N 3.247 123.768 120.500 0.034 0.000 2.480 291 R HA 0.339 4.678 4.340 -0.001 0.000 0.303 291 R C -0.350 175.990 176.300 0.066 0.000 0.985 291 R CA 0.143 56.240 56.100 -0.005 0.000 1.051 291 R CB -0.585 29.683 30.300 -0.054 0.000 0.935 291 R HN 0.547 nan 8.270 nan 0.000 0.410 292 V N 0.827 120.787 119.914 0.076 0.000 3.159 292 V HA 0.921 5.040 4.120 -0.001 0.000 0.308 292 V C -0.634 175.572 176.094 0.188 0.000 1.190 292 V CA -0.972 61.432 62.300 0.174 0.000 1.037 292 V CB 1.919 33.842 31.823 0.166 0.000 1.060 292 V HN 0.843 nan 8.190 nan 0.000 0.437 293 A N 2.355 125.331 122.820 0.261 0.000 2.306 293 A HA 0.921 5.240 4.320 -0.001 0.000 0.314 293 A C -0.559 177.110 177.584 0.141 0.000 1.164 293 A CA -0.626 51.552 52.037 0.235 0.000 0.822 293 A CB 0.422 19.561 19.000 0.232 0.000 1.130 293 A HN 0.932 nan 8.150 nan 0.000 0.496 294 I N 1.702 122.336 120.570 0.107 0.000 2.447 294 I HA 0.349 4.518 4.170 -0.001 0.000 0.287 294 I C -0.136 175.981 176.117 -0.001 0.000 1.023 294 I CA -0.369 60.934 61.300 0.006 0.000 1.083 294 I CB 2.050 39.984 38.000 -0.110 0.000 1.245 294 I HN 0.689 nan 8.210 nan 0.000 0.434 295 K N 4.888 125.271 120.400 -0.029 0.000 2.206 295 K HA 0.609 4.928 4.320 -0.001 0.000 0.264 295 K C -0.431 176.128 176.600 -0.068 0.000 0.967 295 K CA -0.381 55.898 56.287 -0.013 0.000 0.844 295 K CB 1.426 33.929 32.500 0.004 0.000 1.099 295 K HN 0.716 nan 8.250 nan 0.000 0.441 296 T N 1.738 116.267 114.554 -0.041 0.000 2.859 296 T HA 0.476 4.825 4.350 -0.001 0.000 0.281 296 T C -0.464 174.252 174.700 0.026 0.000 1.005 296 T CA -1.066 61.029 62.100 -0.008 0.000 1.025 296 T CB 0.912 69.782 68.868 0.003 0.000 0.977 296 T HN 0.216 nan 8.240 nan 0.000 0.458 297 L N 2.308 123.535 121.223 0.006 0.000 2.322 297 L HA 0.493 4.832 4.340 -0.001 0.000 0.281 297 L C 0.553 177.428 176.870 0.008 0.000 1.014 297 L CA -0.769 54.066 54.840 -0.009 0.000 0.815 297 L CB 1.658 43.658 42.059 -0.099 0.000 1.247 297 L HN 0.837 nan 8.230 nan 0.000 0.421 298 K N 3.480 123.905 120.400 0.042 0.000 2.489 298 K HA 0.113 4.433 4.320 -0.001 0.000 0.278 298 K C -2.168 174.438 176.600 0.009 0.000 1.000 298 K CA -1.282 55.028 56.287 0.037 0.000 1.012 298 K CB 0.192 32.728 32.500 0.060 0.000 0.903 298 K HN 0.316 nan 8.250 nan 0.000 0.485 299 P HA -0.071 nan 4.420 nan 0.000 0.265 299 P C 0.470 177.767 177.300 -0.006 0.000 1.193 299 P CA 0.767 63.855 63.100 -0.019 0.000 0.765 299 P CB 0.579 32.268 31.700 -0.017 0.000 0.823 300 G N 1.779 110.569 108.800 -0.016 0.000 2.175 300 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.244 300 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.244 300 G C 1.118 176.015 174.900 -0.006 0.000 0.982 300 G CA 0.518 45.614 45.100 -0.005 0.000 0.641 300 G HN 0.470 nan 8.290 nan 0.000 0.527 301 T N 0.572 115.114 114.554 -0.020 0.000 2.812 301 T HA 0.341 4.690 4.350 -0.001 0.000 0.264 301 T C 1.084 175.720 174.700 -0.106 0.000 1.042 301 T CA 1.796 63.864 62.100 -0.053 0.000 1.140 301 T CB -0.179 68.656 68.868 -0.055 0.000 0.870 301 T HN 0.982 nan 8.240 nan 0.000 0.445 302 M N -0.753 118.797 119.600 -0.084 0.000 2.603 302 M HA 0.517 4.996 4.480 -0.001 0.000 0.275 302 M C -1.109 175.174 176.300 -0.029 0.000 1.226 302 M CA -1.138 54.127 55.300 -0.059 0.000 0.870 302 M CB 1.798 34.365 32.600 -0.055 0.000 1.716 302 M HN -0.099 nan 8.290 nan 0.000 0.482 303 S N 0.391 116.091 115.700 0.001 0.000 2.531 303 S HA 0.305 4.774 4.470 -0.001 0.000 0.279 303 S C -1.982 172.649 174.600 0.051 0.000 1.305 303 S CA -0.927 57.282 58.200 0.015 0.000 1.058 303 S CB 0.005 63.216 63.200 0.020 0.000 0.899 303 S HN 0.655 nan 8.310 nan 0.000 0.493 304 P HA -0.153 nan 4.420 nan 0.000 0.218 304 P C 0.774 178.159 177.300 0.142 0.000 1.146 304 P CA 1.276 64.422 63.100 0.077 0.000 0.813 304 P CB 0.095 31.803 31.700 0.013 0.000 0.778 305 E N 0.170 120.420 120.200 0.084 0.000 2.072 305 E HA -0.046 4.304 4.350 -0.001 0.000 0.190 305 E C 2.316 178.957 176.600 0.069 0.000 0.982 305 E CA 1.306 57.748 56.400 0.069 0.000 0.803 305 E CB -0.936 28.789 29.700 0.042 0.000 0.755 305 E HN 0.163 nan 8.360 nan 0.000 0.453 306 A N 0.740 123.602 122.820 0.069 0.000 1.898 306 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 306 A C 2.058 179.680 177.584 0.062 0.000 1.181 306 A CA 1.101 53.169 52.037 0.052 0.000 0.620 306 A CB -0.811 18.214 19.000 0.041 0.000 0.819 306 A HN 0.338 nan 8.150 nan 0.000 0.442 307 F N 0.423 120.357 119.950 -0.027 0.000 2.091 307 F HA -0.195 4.331 4.527 -0.001 0.000 0.299 307 F C 1.925 177.722 175.800 -0.005 0.000 1.103 307 F CA 1.904 59.885 58.000 -0.032 0.000 1.228 307 F CB -0.265 38.707 39.000 -0.047 0.000 0.984 307 F HN 0.175 nan 8.300 nan 0.000 0.477 308 L N -0.057 121.171 121.223 0.008 0.000 2.083 308 L HA -0.244 4.096 4.340 -0.001 0.000 0.209 308 L C 2.604 179.434 176.870 -0.066 0.000 1.083 308 L CA 1.753 56.558 54.840 -0.058 0.000 0.752 308 L CB -0.601 41.510 42.059 0.087 0.000 0.899 308 L HN 0.346 nan 8.230 nan 0.000 0.433 309 Q N -0.332 119.446 119.800 -0.036 0.000 2.050 309 Q HA -0.297 4.042 4.340 -0.001 0.000 0.202 309 Q C 1.997 177.956 176.000 -0.069 0.000 0.980 309 Q CA 2.004 57.791 55.803 -0.026 0.000 0.840 309 Q CB 0.096 28.830 28.738 -0.006 0.000 0.898 309 Q HN 0.334 nan 8.270 nan 0.000 0.424 310 E N 0.159 120.285 120.200 -0.123 0.000 2.106 310 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 310 E C 1.607 178.087 176.600 -0.200 0.000 0.984 310 E CA 1.368 57.675 56.400 -0.155 0.000 0.806 310 E CB -0.290 29.313 29.700 -0.162 0.000 0.750 310 E HN 0.421 nan 8.360 nan 0.000 0.458 311 A N 0.569 123.204 122.820 -0.309 0.000 1.940 311 A HA -0.219 4.100 4.320 -0.001 0.000 0.219 311 A C 2.045 179.663 177.584 0.055 0.000 1.176 311 A CA 1.598 53.513 52.037 -0.204 0.000 0.631 311 A CB -0.534 18.245 19.000 -0.367 0.000 0.814 311 A HN 0.249 nan 8.150 nan 0.000 0.446 312 Q N -0.203 119.613 119.800 0.027 0.000 2.170 312 Q HA -0.108 4.231 4.340 -0.001 0.000 0.203 312 Q C 2.295 178.245 176.000 -0.083 0.000 0.976 312 Q CA 1.598 57.374 55.803 -0.045 0.000 0.858 312 Q CB -0.874 27.844 28.738 -0.033 0.000 0.907 312 Q HN 0.532 nan 8.270 nan 0.000 0.433 313 V N 0.939 120.804 119.914 -0.082 0.000 2.283 313 V HA -0.247 3.872 4.120 -0.001 0.000 0.243 313 V C 2.382 178.399 176.094 -0.129 0.000 1.039 313 V CA 1.682 63.909 62.300 -0.122 0.000 1.016 313 V CB -0.635 31.068 31.823 -0.200 0.000 0.650 313 V HN 0.260 nan 8.190 nan 0.000 0.449 314 M N -0.095 119.448 119.600 -0.096 0.000 2.143 314 M HA -0.287 4.192 4.480 -0.001 0.000 0.258 314 M C 2.282 178.635 176.300 0.089 0.000 1.071 314 M CA 2.023 57.340 55.300 0.028 0.000 1.088 314 M CB -0.611 31.978 32.600 -0.018 0.000 1.360 314 M HN 0.201 nan 8.290 nan 0.000 0.404 315 K N 0.520 120.930 120.400 0.016 0.000 2.209 315 K HA -0.151 4.168 4.320 -0.001 0.000 0.204 315 K C 1.577 178.147 176.600 -0.049 0.000 1.048 315 K CA 1.149 57.396 56.287 -0.066 0.000 0.940 315 K CB 0.081 32.346 32.500 -0.391 0.000 0.729 315 K HN 0.329 nan 8.250 nan 0.000 0.451 316 K N 0.445 120.833 120.400 -0.019 0.000 2.432 316 K HA 0.033 4.352 4.320 -0.001 0.000 0.196 316 K C 0.320 176.996 176.600 0.127 0.000 1.038 316 K CA 0.256 56.564 56.287 0.035 0.000 0.986 316 K CB 0.125 32.659 32.500 0.055 0.000 0.782 316 K HN 0.184 nan 8.250 nan 0.000 0.485 317 L N 3.873 125.188 121.223 0.153 0.000 2.363 317 L HA 0.121 4.460 4.340 -0.001 0.000 0.286 317 L C 0.366 177.314 176.870 0.130 0.000 1.106 317 L CA -0.380 54.614 54.840 0.256 0.000 0.859 317 L CB -0.024 42.142 42.059 0.177 0.000 1.223 317 L HN 0.028 nan 8.230 nan 0.000 0.446 318 R N 4.680 125.222 120.500 0.070 0.000 2.409 318 R HA 0.503 4.842 4.340 -0.001 0.000 0.313 318 R C -1.616 174.466 176.300 -0.364 0.000 0.953 318 R CA -0.461 55.578 56.100 -0.103 0.000 0.849 318 R CB 1.458 31.736 30.300 -0.037 0.000 1.171 318 R HN 0.614 nan 8.270 nan 0.000 0.458 319 H N 2.462 121.236 119.070 -0.492 0.000 3.079 319 H HA 0.136 4.692 4.556 -0.001 0.000 0.356 319 H C -0.386 174.763 175.328 -0.297 0.000 1.221 319 H CA -0.267 55.446 56.048 -0.559 0.000 1.185 319 H CB 2.012 31.176 29.762 -0.997 0.000 1.882 319 H HN 0.610 nan 8.280 nan 0.000 0.543 320 E N 1.806 121.691 120.200 -0.525 0.000 2.267 320 E HA -0.119 4.231 4.350 -0.001 0.000 0.197 320 E C 0.613 177.169 176.600 -0.074 0.000 0.998 320 E CA 1.024 57.260 56.400 -0.273 0.000 0.830 320 E CB 0.286 29.797 29.700 -0.315 0.000 0.751 320 E HN 0.286 nan 8.360 nan 0.000 0.491 321 K N 0.017 120.501 120.400 0.140 0.000 2.455 321 K HA 0.235 4.554 4.320 -0.001 0.000 0.206 321 K C -0.566 176.061 176.600 0.045 0.000 1.027 321 K CA -0.209 56.149 56.287 0.119 0.000 1.113 321 K CB 0.679 33.272 32.500 0.155 0.000 0.850 321 K HN 0.046 nan 8.250 nan 0.000 0.503 322 L N 0.831 122.059 121.223 0.008 0.000 2.341 322 L HA 0.295 4.634 4.340 -0.001 0.000 0.278 322 L C -0.242 176.677 176.870 0.082 0.000 1.005 322 L CA -0.821 53.989 54.840 -0.051 0.000 0.818 322 L CB 1.940 43.823 42.059 -0.295 0.000 1.259 322 L HN -0.237 nan 8.230 nan 0.000 0.418 323 V N 3.368 123.419 119.914 0.228 0.000 2.540 323 V HA 0.004 4.123 4.120 -0.001 0.000 0.297 323 V C 0.636 176.834 176.094 0.173 0.000 1.024 323 V CA -0.193 62.203 62.300 0.160 0.000 1.105 323 V CB 0.565 32.467 31.823 0.131 0.000 0.938 323 V HN 0.740 nan 8.190 nan 0.000 0.482 324 Q N 3.270 123.054 119.800 -0.028 0.000 2.297 324 Q HA 0.189 4.529 4.340 -0.001 0.000 0.267 324 Q C -0.562 175.293 176.000 -0.241 0.000 1.006 324 Q CA -0.713 55.001 55.803 -0.148 0.000 0.896 324 Q CB 1.028 29.548 28.738 -0.362 0.000 1.186 324 Q HN 0.640 nan 8.270 nan 0.000 0.392 325 L N 5.087 126.258 121.223 -0.087 0.000 2.361 325 L HA 0.072 4.411 4.340 -0.001 0.000 0.278 325 L C -0.567 176.317 176.870 0.023 0.000 1.113 325 L CA 0.739 55.559 54.840 -0.034 0.000 0.849 325 L CB 0.307 42.406 42.059 0.067 0.000 1.155 325 L HN 0.738 nan 8.230 nan 0.000 0.452 326 Y N 4.247 124.616 120.300 0.116 0.000 2.301 326 Y HA 0.540 5.089 4.550 -0.001 0.000 0.295 326 Y C 1.111 177.099 175.900 0.146 0.000 1.126 326 Y CA 0.161 58.318 58.100 0.095 0.000 1.154 326 Y CB 0.445 38.892 38.460 -0.023 0.000 1.075 326 Y HN 0.744 nan 8.280 nan 0.000 0.534 327 A N -0.421 122.501 122.820 0.170 0.000 2.586 327 A HA 0.589 4.908 4.320 -0.001 0.000 0.291 327 A C -1.759 175.656 177.584 -0.282 0.000 1.062 327 A CA -0.331 51.620 52.037 -0.143 0.000 0.666 327 A CB 0.796 19.710 19.000 -0.143 0.000 1.281 327 A HN 0.101 nan 8.150 nan 0.000 0.421 328 V N -1.987 117.620 119.914 -0.511 0.000 3.007 328 V HA 0.898 5.017 4.120 -0.001 0.000 0.311 328 V C -1.005 174.969 176.094 -0.201 0.000 1.120 328 V CA -0.831 61.309 62.300 -0.267 0.000 0.980 328 V CB 1.599 33.269 31.823 -0.256 0.000 1.033 328 V HN 1.081 nan 8.190 nan 0.000 0.429 329 V N 3.403 123.266 119.914 -0.084 0.000 2.326 329 V HA 0.419 4.538 4.120 -0.001 0.000 0.281 329 V C 1.099 177.102 176.094 -0.151 0.000 1.015 329 V CA 0.588 62.793 62.300 -0.158 0.000 0.823 329 V CB 1.096 32.739 31.823 -0.300 0.000 1.009 329 V HN 1.195 nan 8.190 nan 0.000 0.436 330 S N 2.447 118.092 115.700 -0.091 0.000 2.556 330 S HA 0.129 4.598 4.470 -0.001 0.000 0.216 330 S C 0.502 175.056 174.600 -0.077 0.000 0.970 330 S CA -0.324 57.868 58.200 -0.013 0.000 0.912 330 S CB -0.112 63.161 63.200 0.122 0.000 0.790 330 S HN 0.867 nan 8.310 nan 0.000 0.504 331 E N 1.173 121.302 120.200 -0.118 0.000 2.277 331 E HA 0.348 4.697 4.350 -0.001 0.000 0.274 331 E C -0.915 175.592 176.600 -0.156 0.000 1.022 331 E CA -0.880 55.451 56.400 -0.115 0.000 0.853 331 E CB 0.612 30.255 29.700 -0.095 0.000 1.086 331 E HN 0.280 nan 8.360 nan 0.000 0.397 332 E N 2.655 122.780 120.200 -0.125 0.000 2.415 332 E HA 0.066 4.415 4.350 -0.001 0.000 0.263 332 E C -1.866 174.665 176.600 -0.115 0.000 0.995 332 E CA -1.454 54.875 56.400 -0.119 0.000 0.915 332 E CB 0.117 29.767 29.700 -0.082 0.000 0.951 332 E HN 0.423 nan 8.360 nan 0.000 0.449 333 P HA 0.162 nan 4.420 nan 0.000 0.282 333 P C -0.309 176.919 177.300 -0.119 0.000 1.262 333 P CA -0.034 63.019 63.100 -0.078 0.000 0.773 333 P CB 0.453 32.156 31.700 0.005 0.000 0.879 334 I N 3.687 124.159 120.570 -0.164 0.000 2.696 334 I HA 0.046 4.215 4.170 -0.001 0.000 0.284 334 I C 0.225 176.349 176.117 0.012 0.000 1.129 334 I CA 0.137 61.272 61.300 -0.275 0.000 1.410 334 I CB 0.069 37.661 38.000 -0.679 0.000 1.399 334 I HN 0.275 nan 8.210 nan 0.000 0.579 335 Y N 5.526 125.682 120.300 -0.241 0.000 2.409 335 Y HA 0.577 5.127 4.550 -0.001 0.000 0.343 335 Y C -0.104 175.746 175.900 -0.082 0.000 0.973 335 Y CA -1.481 56.541 58.100 -0.130 0.000 1.064 335 Y CB 1.525 39.937 38.460 -0.081 0.000 1.207 335 Y HN 0.272 nan 8.280 nan 0.000 0.452 336 I N 3.714 124.347 120.570 0.105 0.000 2.382 336 I HA 0.408 4.577 4.170 -0.001 0.000 0.286 336 I C -0.915 175.242 176.117 0.067 0.000 1.002 336 I CA -0.754 60.611 61.300 0.107 0.000 1.135 336 I CB 1.428 39.488 38.000 0.099 0.000 1.288 336 I HN 0.148 nan 8.210 nan 0.000 0.448 337 V N 5.245 125.204 119.914 0.076 0.000 2.398 337 V HA 0.651 4.770 4.120 -0.001 0.000 0.286 337 V C 0.270 176.450 176.094 0.143 0.000 1.026 337 V CA -0.277 62.084 62.300 0.101 0.000 0.868 337 V CB 1.623 33.499 31.823 0.088 0.000 0.982 337 V HN 0.882 nan 8.190 nan 0.000 0.443 338 T N 0.471 115.127 114.554 0.169 0.000 2.812 338 T HA 0.525 4.875 4.350 -0.001 0.000 0.294 338 T C -0.346 174.510 174.700 0.260 0.000 1.159 338 T CA -0.784 61.389 62.100 0.121 0.000 1.008 338 T CB 1.665 70.534 68.868 0.002 0.000 1.289 338 T HN 0.686 nan 8.240 nan 0.000 0.514 339 E N 0.405 120.641 120.200 0.060 0.000 2.829 339 E HA -0.078 4.271 4.350 -0.001 0.000 0.264 339 E C -1.247 175.474 176.600 0.202 0.000 0.922 339 E CA -0.039 56.466 56.400 0.174 0.000 0.960 339 E CB 0.111 29.798 29.700 -0.022 0.000 0.918 339 E HN 0.605 nan 8.360 nan 0.000 0.497 340 Y N 5.743 126.118 120.300 0.124 0.000 2.327 340 Y HA 0.215 4.764 4.550 -0.001 0.000 0.336 340 Y C -0.524 175.408 175.900 0.052 0.000 1.035 340 Y CA -0.838 57.310 58.100 0.080 0.000 1.165 340 Y CB 0.723 39.233 38.460 0.085 0.000 1.181 340 Y HN 0.411 nan 8.280 nan 0.000 0.494 341 M N 6.135 125.409 119.600 -0.543 0.000 2.061 341 M HA 0.146 4.625 4.480 -0.001 0.000 0.346 341 M C 1.199 177.136 176.300 -0.606 0.000 1.112 341 M CA -0.219 54.836 55.300 -0.408 0.000 1.021 341 M CB 1.155 33.610 32.600 -0.241 0.000 1.530 341 M HN 0.891 nan 8.290 nan 0.000 0.437 342 S N 2.882 118.366 115.700 -0.360 0.000 2.399 342 S HA -0.089 4.380 4.470 -0.001 0.000 0.231 342 S C 1.198 175.710 174.600 -0.147 0.000 1.022 342 S CA 0.939 59.013 58.200 -0.210 0.000 0.983 342 S CB 0.025 63.228 63.200 0.004 0.000 0.803 342 S HN 0.588 nan 8.310 nan 0.000 0.480 343 K N 1.587 121.891 120.400 -0.161 0.000 2.374 343 K HA 0.365 4.685 4.320 -0.001 0.000 0.196 343 K C 1.421 177.961 176.600 -0.100 0.000 1.023 343 K CA 0.595 56.814 56.287 -0.113 0.000 1.103 343 K CB -0.286 32.094 32.500 -0.199 0.000 0.848 343 K HN 0.568 nan 8.250 nan 0.000 0.528 344 G N 1.558 110.266 108.800 -0.153 0.000 2.584 344 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.229 344 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.229 344 G C -0.267 174.589 174.900 -0.074 0.000 1.320 344 G CA -0.121 44.915 45.100 -0.106 0.000 0.891 344 G HN 0.336 nan 8.290 nan 0.000 0.573 345 S N -0.324 115.360 115.700 -0.026 0.000 2.576 345 S HA 0.445 4.914 4.470 -0.001 0.000 0.276 345 S C 1.558 176.184 174.600 0.043 0.000 1.339 345 S CA 0.401 58.598 58.200 -0.004 0.000 1.039 345 S CB 1.587 64.789 63.200 0.004 0.000 0.902 345 S HN 1.966 nan 8.310 nan 0.000 0.516 346 L N 2.953 124.200 121.223 0.040 0.000 2.043 346 L HA -0.046 4.293 4.340 -0.001 0.000 0.212 346 L C 2.094 179.048 176.870 0.141 0.000 1.075 346 L CA 1.752 56.654 54.840 0.104 0.000 0.752 346 L CB -1.226 40.877 42.059 0.072 0.000 0.891 346 L HN 0.857 nan 8.230 nan 0.000 0.432 347 L N -0.182 121.093 121.223 0.087 0.000 1.990 347 L HA -0.265 4.074 4.340 -0.001 0.000 0.213 347 L C 2.163 179.082 176.870 0.081 0.000 1.072 347 L CA 2.226 57.114 54.840 0.080 0.000 0.755 347 L CB -1.170 40.921 42.059 0.053 0.000 0.889 347 L HN 0.390 nan 8.230 nan 0.000 0.432 348 D N -1.304 119.143 120.400 0.079 0.000 2.178 348 D HA -0.220 4.419 4.640 -0.001 0.000 0.202 348 D C 2.074 178.435 176.300 0.102 0.000 0.974 348 D CA 1.225 55.267 54.000 0.071 0.000 0.841 348 D CB -0.277 40.559 40.800 0.060 0.000 0.953 348 D HN 0.391 nan 8.370 nan 0.000 0.478 349 F N 1.590 121.536 119.950 -0.005 0.000 2.171 349 F HA -0.099 4.427 4.527 -0.001 0.000 0.300 349 F C 2.131 177.930 175.800 -0.001 0.000 1.090 349 F CA 0.922 58.920 58.000 -0.004 0.000 1.293 349 F CB -0.264 38.734 39.000 -0.002 0.000 1.013 349 F HN -0.137 nan 8.300 nan 0.000 0.486 350 L N -0.227 121.015 121.223 0.031 0.000 2.141 350 L HA -0.141 4.199 4.340 -0.001 0.000 0.209 350 L C 0.998 177.814 176.870 -0.090 0.000 1.094 350 L CA 0.977 55.791 54.840 -0.043 0.000 0.763 350 L CB -0.624 41.459 42.059 0.040 0.000 0.908 350 L HN -0.051 nan 8.230 nan 0.000 0.437 351 K N -0.149 120.214 120.400 -0.061 0.000 2.154 351 K HA 0.422 4.741 4.320 -0.001 0.000 0.264 351 K C 0.757 177.297 176.600 -0.101 0.000 1.008 351 K CA 0.250 56.500 56.287 -0.061 0.000 0.937 351 K CB 0.926 33.412 32.500 -0.024 0.000 1.002 351 K HN 0.120 nan 8.250 nan 0.000 0.469 352 G N 1.598 110.343 108.800 -0.091 0.000 2.564 352 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.273 352 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.273 352 G C 0.592 175.402 174.900 -0.150 0.000 1.242 352 G CA 0.060 45.100 45.100 -0.100 0.000 0.951 352 G HN 0.669 nan 8.290 nan 0.000 0.564 353 E N 0.551 120.663 120.200 -0.145 0.000 2.152 353 E HA -0.088 4.261 4.350 -0.001 0.000 0.192 353 E C 2.881 179.343 176.600 -0.229 0.000 0.983 353 E CA 2.054 58.344 56.400 -0.182 0.000 0.818 353 E CB -0.769 28.851 29.700 -0.134 0.000 0.758 353 E HN 0.805 nan 8.360 nan 0.000 0.467 354 T N -1.406 113.003 114.554 -0.242 0.000 2.833 354 T HA -0.085 4.264 4.350 -0.001 0.000 0.269 354 T C 1.933 176.290 174.700 -0.572 0.000 1.054 354 T CA 1.321 63.188 62.100 -0.389 0.000 1.135 354 T CB -0.419 68.168 68.868 -0.467 0.000 0.869 354 T HN 0.204 nan 8.240 nan 0.000 0.466 355 G N 1.595 110.124 108.800 -0.451 0.000 3.088 355 G HA2 0.122 4.081 3.960 -0.001 0.000 0.217 355 G HA3 0.122 4.081 3.960 -0.001 0.000 0.217 355 G C 1.384 176.154 174.900 -0.217 0.000 1.159 355 G CA 0.293 45.176 45.100 -0.361 0.000 0.760 355 G HN 0.719 nan 8.290 nan 0.000 0.550 356 K N -0.379 119.867 120.400 -0.257 0.000 2.097 356 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 356 K C 1.057 177.568 176.600 -0.148 0.000 1.049 356 K CA 1.060 57.189 56.287 -0.264 0.000 0.933 356 K CB -0.331 31.907 32.500 -0.435 0.000 0.717 356 K HN 0.236 nan 8.250 nan 0.000 0.442 357 Y N 1.448 121.711 120.300 -0.062 0.000 2.532 357 Y HA 0.349 4.898 4.550 -0.001 0.000 0.283 357 Y C -0.004 175.877 175.900 -0.032 0.000 1.181 357 Y CA -1.204 56.873 58.100 -0.038 0.000 1.256 357 Y CB -0.184 38.260 38.460 -0.027 0.000 1.112 357 Y HN -0.062 nan 8.280 nan 0.000 0.521 358 L N 1.353 122.620 121.223 0.073 0.000 2.360 358 L HA 0.281 4.620 4.340 -0.001 0.000 0.276 358 L C 0.281 177.186 176.870 0.059 0.000 1.121 358 L CA 0.012 54.884 54.840 0.053 0.000 0.845 358 L CB 0.607 42.672 42.059 0.010 0.000 1.143 358 L HN 0.015 nan 8.230 nan 0.000 0.452 359 R N 1.242 121.778 120.500 0.060 0.000 2.873 359 R HA 0.300 4.639 4.340 -0.001 0.000 0.264 359 R C 0.584 176.920 176.300 0.060 0.000 1.026 359 R CA -0.754 55.374 56.100 0.047 0.000 1.002 359 R CB 1.173 31.485 30.300 0.021 0.000 1.174 359 R HN 0.399 nan 8.270 nan 0.000 0.488 360 L N 2.919 124.187 121.223 0.075 0.000 2.042 360 L HA -0.028 4.311 4.340 -0.001 0.000 0.210 360 L C -1.103 175.885 176.870 0.195 0.000 1.076 360 L CA 2.032 56.955 54.840 0.137 0.000 0.749 360 L CB -0.736 41.454 42.059 0.218 0.000 0.893 360 L HN 0.618 nan 8.230 nan 0.000 0.432 361 P HA -0.193 nan 4.420 nan 0.000 0.216 361 P C 1.405 178.787 177.300 0.137 0.000 1.150 361 P CA 1.505 64.674 63.100 0.115 0.000 0.837 361 P CB 0.003 31.594 31.700 -0.181 0.000 0.786 362 Q N -0.994 118.861 119.800 0.091 0.000 2.083 362 Q HA -0.023 4.316 4.340 -0.001 0.000 0.198 362 Q C 2.183 178.249 176.000 0.110 0.000 0.969 362 Q CA 0.985 56.847 55.803 0.098 0.000 0.838 362 Q CB -0.629 28.168 28.738 0.098 0.000 0.900 362 Q HN 0.246 nan 8.270 nan 0.000 0.436 363 L N -0.193 121.091 121.223 0.101 0.000 2.083 363 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 363 L C 2.263 179.173 176.870 0.067 0.000 1.083 363 L CA 0.697 55.586 54.840 0.082 0.000 0.752 363 L CB -0.464 41.630 42.059 0.058 0.000 0.899 363 L HN 0.099 nan 8.230 nan 0.000 0.433 364 V N 0.110 120.072 119.914 0.081 0.000 2.358 364 V HA -0.304 3.815 4.120 -0.001 0.000 0.246 364 V C 2.210 178.363 176.094 0.098 0.000 1.047 364 V CA 2.134 64.465 62.300 0.053 0.000 1.035 364 V CB -0.451 31.403 31.823 0.052 0.000 0.658 364 V HN 0.503 nan 8.190 nan 0.000 0.452 365 D N -0.228 120.246 120.400 0.124 0.000 2.104 365 D HA -0.232 4.407 4.640 -0.001 0.000 0.194 365 D C 2.157 178.516 176.300 0.098 0.000 0.994 365 D CA 1.807 55.873 54.000 0.110 0.000 0.830 365 D CB -0.159 40.702 40.800 0.102 0.000 0.959 365 D HN 0.371 nan 8.370 nan 0.000 0.452 366 M N 0.045 119.702 119.600 0.095 0.000 2.108 366 M HA -0.127 4.352 4.480 -0.001 0.000 0.261 366 M C 2.364 178.731 176.300 0.112 0.000 1.066 366 M CA 1.608 56.961 55.300 0.089 0.000 1.107 366 M CB -0.267 32.387 32.600 0.090 0.000 1.356 366 M HN 0.148 nan 8.290 nan 0.000 0.406 367 A N 0.333 123.224 122.820 0.118 0.000 1.933 367 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 367 A C 2.365 180.124 177.584 0.292 0.000 1.175 367 A CA 1.878 54.030 52.037 0.192 0.000 0.628 367 A CB -0.885 18.183 19.000 0.114 0.000 0.814 367 A HN 0.507 nan 8.150 nan 0.000 0.444 368 A N -0.735 122.198 122.820 0.188 0.000 1.930 368 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 368 A C 2.109 179.761 177.584 0.114 0.000 1.175 368 A CA 1.520 53.647 52.037 0.150 0.000 0.627 368 A CB -0.473 18.593 19.000 0.111 0.000 0.815 368 A HN 0.664 nan 8.150 nan 0.000 0.443 369 Q N -0.497 119.366 119.800 0.105 0.000 2.046 369 Q HA -0.095 4.244 4.340 -0.001 0.000 0.200 369 Q C 2.026 178.069 176.000 0.072 0.000 0.975 369 Q CA 1.527 57.378 55.803 0.080 0.000 0.836 369 Q CB -0.325 28.451 28.738 0.064 0.000 0.896 369 Q HN 0.735 nan 8.270 nan 0.000 0.428 370 I N 0.837 121.479 120.570 0.119 0.000 2.179 370 I HA -0.277 3.892 4.170 -0.001 0.000 0.242 370 I C 2.465 178.593 176.117 0.017 0.000 1.088 370 I CA 1.028 62.401 61.300 0.122 0.000 1.357 370 I CB -0.439 37.727 38.000 0.277 0.000 1.051 370 I HN 0.149 nan 8.210 nan 0.000 0.409 371 A N -0.200 122.647 122.820 0.045 0.000 1.940 371 A HA -0.262 4.057 4.320 -0.001 0.000 0.219 371 A C 2.492 179.987 177.584 -0.148 0.000 1.176 371 A CA 2.282 54.208 52.037 -0.185 0.000 0.631 371 A CB -0.812 18.122 19.000 -0.110 0.000 0.814 371 A HN 0.433 nan 8.150 nan 0.000 0.446 372 S N -0.594 115.075 115.700 -0.052 0.000 2.368 372 S HA -0.010 4.459 4.470 -0.001 0.000 0.224 372 S C 2.056 176.551 174.600 -0.175 0.000 1.029 372 S CA 1.711 59.891 58.200 -0.034 0.000 0.988 372 S CB -0.698 62.545 63.200 0.073 0.000 0.838 372 S HN 0.676 nan 8.310 nan 0.000 0.462 373 G N 1.461 110.139 108.800 -0.203 0.000 2.418 373 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.217 373 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.217 373 G C 1.450 176.119 174.900 -0.386 0.000 1.158 373 G CA 0.981 45.869 45.100 -0.354 0.000 0.771 373 G HN 0.454 nan 8.290 nan 0.000 0.545 374 M N 1.063 120.376 119.600 -0.478 0.000 2.394 374 M HA 0.184 4.664 4.480 -0.001 0.000 0.264 374 M C 2.879 178.812 176.300 -0.612 0.000 1.073 374 M CA 0.775 55.602 55.300 -0.787 0.000 1.111 374 M CB -0.907 30.655 32.600 -1.731 0.000 1.401 374 M HN 0.317 nan 8.290 nan 0.000 0.448 375 A N -0.831 121.791 122.820 -0.330 0.000 1.969 375 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 375 A C 2.106 179.640 177.584 -0.083 0.000 1.169 375 A CA 1.119 53.109 52.037 -0.079 0.000 0.635 375 A CB -0.917 18.080 19.000 -0.005 0.000 0.810 375 A HN 0.494 nan 8.150 nan 0.000 0.445 376 Y N 0.591 120.704 120.300 -0.310 0.000 2.163 376 Y HA -0.160 4.389 4.550 -0.001 0.000 0.288 376 Y C 2.289 178.081 175.900 -0.180 0.000 1.136 376 Y CA 1.907 59.836 58.100 -0.285 0.000 1.147 376 Y CB -0.432 37.676 38.460 -0.587 0.000 0.987 376 Y HN 0.049 nan 8.280 nan 0.000 0.509 377 V N 1.044 120.855 119.914 -0.172 0.000 2.278 377 V HA -0.377 3.742 4.120 -0.001 0.000 0.251 377 V C 2.404 178.425 176.094 -0.122 0.000 1.062 377 V CA 2.446 64.665 62.300 -0.135 0.000 1.038 377 V CB -0.814 30.956 31.823 -0.089 0.000 0.646 377 V HN 0.548 nan 8.190 nan 0.000 0.447 378 E N -0.060 120.088 120.200 -0.086 0.000 2.051 378 E HA -0.241 4.108 4.350 -0.001 0.000 0.192 378 E C 2.495 179.040 176.600 -0.092 0.000 0.991 378 E CA 1.304 57.701 56.400 -0.006 0.000 0.799 378 E CB -0.094 29.676 29.700 0.117 0.000 0.748 378 E HN 0.498 nan 8.360 nan 0.000 0.449 379 R N -0.451 119.962 120.500 -0.145 0.000 2.105 379 R HA -0.075 4.264 4.340 -0.001 0.000 0.239 379 R C 2.021 178.163 176.300 -0.263 0.000 1.135 379 R CA 1.250 57.250 56.100 -0.168 0.000 0.967 379 R CB -0.093 30.117 30.300 -0.149 0.000 0.861 379 R HN 0.307 nan 8.270 nan 0.000 0.442 380 M N 1.011 120.371 119.600 -0.399 0.000 2.618 380 M HA 0.008 4.487 4.480 -0.001 0.000 0.240 380 M C -0.178 175.739 176.300 -0.639 0.000 1.123 380 M CA 0.429 55.433 55.300 -0.493 0.000 1.060 380 M CB -0.600 31.711 32.600 -0.482 0.000 1.535 380 M HN 0.155 nan 8.290 nan 0.000 0.507 381 N N 0.333 118.799 118.700 -0.390 0.000 2.740 381 N HA -0.241 4.498 4.740 -0.001 0.000 0.248 381 N C -0.941 174.363 175.510 -0.344 0.000 1.062 381 N CA 0.832 53.690 53.050 -0.321 0.000 0.704 381 N CB -1.872 36.430 38.487 -0.308 0.000 0.968 381 N HN 0.476 nan 8.380 nan 0.000 0.547 382 Y N -1.221 119.057 120.300 -0.037 0.000 2.659 382 Y HA 0.704 5.253 4.550 -0.001 0.000 0.333 382 Y C 0.624 176.552 175.900 0.047 0.000 1.064 382 Y CA -1.200 56.897 58.100 -0.006 0.000 1.141 382 Y CB 1.752 40.185 38.460 -0.045 0.000 1.316 382 Y HN -0.172 nan 8.280 nan 0.000 0.509 383 V N 0.683 120.766 119.914 0.282 0.000 2.733 383 V HA 0.106 4.225 4.120 -0.001 0.000 0.306 383 V C 0.216 176.444 176.094 0.224 0.000 1.084 383 V CA -0.774 61.674 62.300 0.247 0.000 0.905 383 V CB 1.486 33.458 31.823 0.247 0.000 1.010 383 V HN 0.887 nan 8.190 nan 0.000 0.424 384 H N 4.012 123.191 119.070 0.182 0.000 2.317 384 H HA 0.076 4.631 4.556 -0.001 0.000 0.304 384 H C 1.524 176.957 175.328 0.175 0.000 1.067 384 H CA 2.094 58.246 56.048 0.174 0.000 1.352 384 H CB 0.423 30.281 29.762 0.160 0.000 1.398 384 H HN 0.732 nan 8.280 nan 0.000 0.510 385 R N -0.790 119.958 120.500 0.414 0.000 3.785 385 R HA -0.184 4.155 4.340 -0.001 0.000 0.476 385 R C -0.494 176.029 176.300 0.371 0.000 0.905 385 R CA 1.296 57.609 56.100 0.355 0.000 1.412 385 R CB -1.377 28.950 30.300 0.044 0.000 2.077 385 R HN 0.341 nan 8.270 nan 0.000 0.504 386 D N 0.057 120.775 120.400 0.531 0.000 3.256 386 D HA 0.161 4.800 4.640 -0.001 0.000 0.332 386 D C -1.321 175.110 176.300 0.219 0.000 1.327 386 D CA -0.406 53.795 54.000 0.336 0.000 0.735 386 D CB 0.392 41.342 40.800 0.251 0.000 1.280 386 D HN 0.022 nan 8.370 nan 0.000 0.572 387 L N 2.470 123.750 121.223 0.096 0.000 2.360 387 L HA 0.560 4.900 4.340 -0.001 0.000 0.276 387 L C 0.025 176.851 176.870 -0.074 0.000 1.121 387 L CA 0.589 55.346 54.840 -0.138 0.000 0.845 387 L CB 0.037 42.084 42.059 -0.019 0.000 1.143 387 L HN 0.365 nan 8.230 nan 0.000 0.452 388 R N 3.380 123.775 120.500 -0.174 0.000 2.828 388 R HA 0.539 4.878 4.340 -0.001 0.000 0.280 388 R C -0.110 176.101 176.300 -0.148 0.000 1.020 388 R CA -0.319 55.597 56.100 -0.307 0.000 0.855 388 R CB 0.193 29.802 30.300 -1.152 0.000 1.278 388 R HN 0.388 nan 8.270 nan 0.000 0.495 389 A N 0.988 123.783 122.820 -0.041 0.000 2.024 389 A HA -0.089 4.230 4.320 -0.001 0.000 0.220 389 A C 2.114 179.686 177.584 -0.021 0.000 1.164 389 A CA 2.123 54.169 52.037 0.014 0.000 0.643 389 A CB -0.798 18.252 19.000 0.084 0.000 0.806 389 A HN 0.845 nan 8.150 nan 0.000 0.451 390 A N -0.241 122.528 122.820 -0.084 0.000 2.015 390 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 390 A C 1.555 179.110 177.584 -0.049 0.000 1.163 390 A CA 1.442 53.438 52.037 -0.068 0.000 0.646 390 A CB -0.350 18.582 19.000 -0.114 0.000 0.806 390 A HN 0.485 nan 8.150 nan 0.000 0.448 391 N N -0.027 118.639 118.700 -0.057 0.000 2.276 391 N HA 0.169 4.908 4.740 -0.001 0.000 0.212 391 N C -0.563 174.964 175.510 0.028 0.000 1.127 391 N CA 0.205 53.258 53.050 0.005 0.000 0.834 391 N CB 0.378 38.890 38.487 0.041 0.000 1.014 391 N HN 0.255 nan 8.380 nan 0.000 0.491 392 I N 1.405 121.979 120.570 0.008 0.000 2.412 392 I HA 0.380 4.549 4.170 -0.001 0.000 0.296 392 I C 0.198 176.315 176.117 0.001 0.000 0.987 392 I CA -0.698 60.613 61.300 0.018 0.000 1.180 392 I CB 1.388 39.401 38.000 0.023 0.000 1.340 392 I HN -0.225 nan 8.210 nan 0.000 0.455 393 L N 5.629 126.846 121.223 -0.010 0.000 2.333 393 L HA 0.718 5.057 4.340 -0.001 0.000 0.269 393 L C -0.542 176.273 176.870 -0.092 0.000 1.010 393 L CA -1.050 53.758 54.840 -0.054 0.000 0.818 393 L CB 2.320 44.345 42.059 -0.057 0.000 1.306 393 L HN 0.173 nan 8.230 nan 0.000 0.430 394 V N 0.712 120.532 119.914 -0.156 0.000 2.555 394 V HA 0.779 4.899 4.120 -0.001 0.000 0.302 394 V C 0.404 176.363 176.094 -0.226 0.000 1.038 394 V CA -0.305 61.851 62.300 -0.240 0.000 0.887 394 V CB 1.430 32.982 31.823 -0.453 0.000 0.991 394 V HN 0.946 nan 8.190 nan 0.000 0.434 395 G N 2.351 111.038 108.800 -0.189 0.000 3.212 395 G HA2 0.613 4.573 3.960 -0.001 0.000 0.188 395 G HA3 0.613 4.573 3.960 -0.001 0.000 0.188 395 G C -0.922 173.904 174.900 -0.124 0.000 1.254 395 G CA -0.369 44.649 45.100 -0.136 0.000 0.957 395 G HN 0.541 nan 8.290 nan 0.000 0.596 396 E N -0.046 120.114 120.200 -0.067 0.000 2.319 396 E HA 0.345 4.694 4.350 -0.001 0.000 0.268 396 E C 0.249 176.828 176.600 -0.034 0.000 1.050 396 E CA -0.182 56.194 56.400 -0.039 0.000 0.878 396 E CB 0.570 30.265 29.700 -0.007 0.000 1.066 396 E HN 0.377 nan 8.360 nan 0.000 0.406 397 N N 1.731 120.422 118.700 -0.015 0.000 2.782 397 N HA -0.209 4.530 4.740 -0.001 0.000 0.251 397 N C -0.678 174.825 175.510 -0.013 0.000 1.101 397 N CA 0.733 53.782 53.050 -0.001 0.000 0.764 397 N CB -0.872 37.618 38.487 0.006 0.000 1.122 397 N HN 0.480 nan 8.380 nan 0.000 0.561 398 L N -2.549 118.643 121.223 -0.052 0.000 3.843 398 L HA -0.220 4.119 4.340 -0.001 0.000 0.411 398 L C -0.082 176.745 176.870 -0.071 0.000 1.205 398 L CA 0.618 55.406 54.840 -0.086 0.000 0.945 398 L CB -1.937 40.127 42.059 0.009 0.000 1.929 398 L HN 0.153 nan 8.230 nan 0.000 0.934 399 V N -0.617 119.252 119.914 -0.075 0.000 2.572 399 V HA 0.096 4.215 4.120 -0.001 0.000 0.291 399 V C 0.873 176.924 176.094 -0.072 0.000 1.039 399 V CA -0.061 62.207 62.300 -0.052 0.000 1.055 399 V CB 1.157 32.954 31.823 -0.044 0.000 0.969 399 V HN 0.492 nan 8.190 nan 0.000 0.482 400 C N 6.362 125.641 119.300 -0.035 0.000 2.379 400 C HA 0.614 5.073 4.460 -0.001 0.000 0.323 400 C C 0.106 175.095 174.990 -0.002 0.000 1.262 400 C CA -1.168 57.835 59.018 -0.026 0.000 1.581 400 C CB 0.670 28.412 27.740 0.004 0.000 2.221 400 C HN 0.860 nan 8.230 nan 0.000 0.497 401 K N 2.145 122.545 120.400 -0.000 0.000 2.422 401 K HA 0.596 4.915 4.320 -0.001 0.000 0.251 401 K C -1.240 175.392 176.600 0.053 0.000 0.933 401 K CA -0.648 55.654 56.287 0.024 0.000 0.798 401 K CB 2.172 34.687 32.500 0.024 0.000 1.238 401 K HN 0.376 nan 8.250 nan 0.000 0.428 402 V N 2.238 122.193 119.914 0.068 0.000 2.508 402 V HA 0.297 4.416 4.120 -0.001 0.000 0.281 402 V C 0.198 176.493 176.094 0.335 0.000 1.041 402 V CA -0.201 62.175 62.300 0.128 0.000 1.016 402 V CB 0.765 32.615 31.823 0.044 0.000 0.984 402 V HN 0.906 nan 8.190 nan 0.000 0.478 403 A N 3.354 126.380 122.820 0.345 0.000 2.350 403 A HA 0.736 5.056 4.320 -0.001 0.000 0.318 403 A C 0.440 178.230 177.584 0.344 0.000 1.132 403 A CA -0.053 52.170 52.037 0.311 0.000 0.811 403 A CB 0.854 19.927 19.000 0.121 0.000 1.313 403 A HN 0.908 nan 8.150 nan 0.000 0.454 404 D N -2.044 118.334 120.400 -0.036 0.000 3.099 404 D HA -0.154 4.485 4.640 -0.001 0.000 0.213 404 D C -0.386 175.753 176.300 -0.267 0.000 1.121 404 D CA 1.445 55.373 54.000 -0.121 0.000 0.951 404 D CB -2.177 38.660 40.800 0.062 0.000 1.102 404 D HN 0.646 nan 8.370 nan 0.000 0.423 405 F N -1.446 118.382 119.950 -0.204 0.000 2.412 405 F HA 0.597 5.123 4.527 -0.001 0.000 0.348 405 F C 1.850 177.501 175.800 -0.249 0.000 1.102 405 F CA 0.062 57.805 58.000 -0.429 0.000 1.196 405 F CB 0.947 39.786 39.000 -0.268 0.000 1.144 405 F HN 0.036 nan 8.300 nan 0.000 0.541 406 G N 2.156 110.869 108.800 -0.146 0.000 2.313 406 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.215 406 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.215 406 G C 0.787 175.615 174.900 -0.121 0.000 1.023 406 G CA 0.113 45.135 45.100 -0.129 0.000 0.626 406 G HN 0.661 nan 8.290 nan 0.000 0.503 407 L N 0.887 122.033 121.223 -0.128 0.000 2.072 407 L HA 0.135 4.475 4.340 -0.001 0.000 0.205 407 L C 3.365 180.165 176.870 -0.117 0.000 1.079 407 L CA 1.888 56.672 54.840 -0.093 0.000 0.752 407 L CB -0.690 41.315 42.059 -0.090 0.000 0.906 407 L HN 0.476 nan 8.230 nan 0.000 0.436 408 A N -0.062 122.702 122.820 -0.092 0.000 1.933 408 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 408 A C 2.397 179.958 177.584 -0.038 0.000 1.175 408 A CA 1.563 53.578 52.037 -0.036 0.000 0.628 408 A CB -0.586 18.467 19.000 0.088 0.000 0.814 408 A HN 0.316 nan 8.150 nan 0.000 0.444 409 R N -0.476 119.973 120.500 -0.084 0.000 2.152 409 R HA -0.040 4.299 4.340 -0.001 0.000 0.232 409 R C 1.639 177.901 176.300 -0.063 0.000 1.117 409 R CA 1.280 57.327 56.100 -0.089 0.000 0.981 409 R CB -0.300 29.955 30.300 -0.074 0.000 0.870 409 R HN 0.566 nan 8.270 nan 0.000 0.451 410 L N 0.728 121.905 121.223 -0.077 0.000 2.270 410 L HA 0.042 4.381 4.340 -0.001 0.000 0.210 410 L C 0.662 177.456 176.870 -0.127 0.000 1.104 410 L CA -0.143 54.655 54.840 -0.070 0.000 0.804 410 L CB -0.097 41.945 42.059 -0.028 0.000 0.937 410 L HN 0.054 nan 8.230 nan 0.000 0.450 411 I N 1.379 121.806 120.570 -0.239 0.000 2.821 411 I HA -0.156 4.013 4.170 -0.001 0.000 0.294 411 I C 1.216 177.216 176.117 -0.195 0.000 1.210 411 I CA 1.007 62.057 61.300 -0.417 0.000 1.430 411 I CB 0.272 37.737 38.000 -0.891 0.000 1.356 411 I HN 0.344 nan 8.210 nan 0.000 0.563 412 E N 2.579 122.683 120.200 -0.160 0.000 2.476 412 E HA -0.031 4.318 4.350 -0.001 0.000 0.199 412 E C 0.168 176.772 176.600 0.007 0.000 1.021 412 E CA -0.201 56.171 56.400 -0.047 0.000 0.907 412 E CB 0.222 29.902 29.700 -0.035 0.000 0.974 412 E HN 0.636 nan 8.360 nan 0.000 0.489 413 D N 0.782 121.193 120.400 0.018 0.000 2.581 413 D HA -0.089 4.550 4.640 -0.001 0.000 0.238 413 D C 0.652 177.036 176.300 0.139 0.000 1.145 413 D CA 0.590 54.667 54.000 0.128 0.000 0.866 413 D CB 0.411 41.379 40.800 0.281 0.000 1.151 413 D HN 0.046 nan 8.370 nan 0.000 0.500 414 N N 2.648 121.408 118.700 0.100 0.000 2.069 414 N HA -0.190 4.549 4.740 -0.001 0.000 0.191 414 N C 1.200 176.751 175.510 0.068 0.000 1.031 414 N CA 0.913 54.005 53.050 0.071 0.000 0.852 414 N CB 0.083 38.599 38.487 0.048 0.000 1.018 414 N HN 0.585 nan 8.380 nan 0.000 0.423 415 E N 0.162 120.417 120.200 0.091 0.000 2.038 415 E HA -0.248 4.101 4.350 -0.001 0.000 0.195 415 E C 1.738 178.365 176.600 0.045 0.000 1.000 415 E CA 1.160 57.600 56.400 0.067 0.000 0.803 415 E CB -0.216 29.546 29.700 0.103 0.000 0.750 415 E HN 0.448 nan 8.360 nan 0.000 0.448 416 Y N 1.664 121.993 120.300 0.048 0.000 2.128 416 Y HA -0.262 4.287 4.550 -0.001 0.000 0.284 416 Y C 2.579 178.419 175.900 -0.099 0.000 1.154 416 Y CA 2.045 60.180 58.100 0.060 0.000 1.149 416 Y CB -0.371 38.236 38.460 0.246 0.000 0.976 416 Y HN -0.037 nan 8.280 nan 0.000 0.505 417 T N 0.194 114.839 114.554 0.152 0.000 2.737 417 T HA -0.240 4.110 4.350 -0.001 0.000 0.269 417 T C 1.625 176.281 174.700 -0.073 0.000 1.040 417 T CA 1.417 63.548 62.100 0.052 0.000 1.142 417 T CB -0.625 68.281 68.868 0.062 0.000 0.861 417 T HN 0.456 nan 8.240 nan 0.000 0.456 418 A N 0.481 123.229 122.820 -0.119 0.000 2.327 418 A HA 0.370 4.689 4.320 -0.001 0.000 0.228 418 A C 0.811 178.193 177.584 -0.337 0.000 1.275 418 A CA -0.190 51.750 52.037 -0.161 0.000 0.875 418 A CB -0.304 18.638 19.000 -0.097 0.000 0.925 418 A HN 0.409 nan 8.150 nan 0.000 0.493 419 R N -0.862 119.230 120.500 -0.680 0.000 3.516 419 R HA -0.204 4.135 4.340 -0.001 0.000 0.271 419 R C 0.186 175.959 176.300 -0.879 0.000 1.098 419 R CA 1.579 56.812 56.100 -1.445 0.000 0.732 419 R CB -2.477 27.330 30.300 -0.821 0.000 1.152 419 R HN 0.923 nan 8.270 nan 0.000 0.455 420 Q N -1.354 118.145 119.800 -0.500 0.000 2.882 420 Q HA 0.747 5.086 4.340 -0.001 0.000 0.315 420 Q C 0.181 176.198 176.000 0.029 0.000 1.004 420 Q CA -0.970 54.755 55.803 -0.130 0.000 0.777 420 Q CB 1.890 30.574 28.738 -0.089 0.000 1.506 420 Q HN 0.425 nan 8.270 nan 0.000 0.489 421 G N -0.751 108.100 108.800 0.085 0.000 2.712 421 G HA2 0.048 4.007 3.960 -0.001 0.000 0.686 421 G HA3 0.048 4.007 3.960 -0.001 0.000 0.686 421 G C 0.338 175.343 174.900 0.175 0.000 1.321 421 G CA -0.052 45.123 45.100 0.124 0.000 0.813 421 G HN 1.160 nan 8.290 nan 0.000 0.599 422 A N 0.120 123.018 122.820 0.129 0.000 2.172 422 A HA 0.096 4.416 4.320 -0.001 0.000 0.216 422 A C 2.084 179.752 177.584 0.141 0.000 1.154 422 A CA 2.082 54.188 52.037 0.115 0.000 0.701 422 A CB -0.256 18.782 19.000 0.064 0.000 0.789 422 A HN 0.703 nan 8.150 nan 0.000 0.465 423 K N -1.919 118.604 120.400 0.204 0.000 2.400 423 K HA 0.135 4.454 4.320 -0.001 0.000 0.194 423 K C -0.303 176.604 176.600 0.512 0.000 1.033 423 K CA 0.001 56.438 56.287 0.251 0.000 1.021 423 K CB 0.143 32.769 32.500 0.210 0.000 0.808 423 K HN 0.455 nan 8.250 nan 0.000 0.505 424 F N 3.410 123.532 119.950 0.287 0.000 2.420 424 F HA 0.248 4.774 4.527 -0.001 0.000 0.342 424 F C -2.269 173.632 175.800 0.167 0.000 1.113 424 F CA -2.969 55.127 58.000 0.159 0.000 1.059 424 F CB 1.281 40.223 39.000 -0.097 0.000 1.128 424 F HN -0.168 nan 8.300 nan 0.000 0.475 425 P HA 0.130 nan 4.420 nan 0.000 0.225 425 P C 0.809 178.071 177.300 -0.064 0.000 1.830 425 P CA 0.104 63.158 63.100 -0.076 0.000 1.051 425 P CB 0.284 31.963 31.700 -0.036 0.000 1.929 426 I N 2.029 122.629 120.570 0.051 0.000 2.454 426 I HA -0.216 3.953 4.170 -0.001 0.000 0.254 426 I C 1.823 177.986 176.117 0.077 0.000 1.156 426 I CA 1.656 63.029 61.300 0.121 0.000 1.433 426 I CB -0.151 37.945 38.000 0.160 0.000 1.082 426 I HN 0.015 nan 8.210 nan 0.000 0.432 427 K N -0.795 119.664 120.400 0.100 0.000 2.288 427 K HA -0.111 4.208 4.320 -0.001 0.000 0.201 427 K C 1.351 177.913 176.600 -0.064 0.000 1.048 427 K CA 0.952 57.195 56.287 -0.074 0.000 0.956 427 K CB -0.149 32.186 32.500 -0.276 0.000 0.746 427 K HN 0.460 nan 8.250 nan 0.000 0.461 428 W N 1.375 122.787 121.300 0.187 0.000 3.220 428 W HA 0.120 4.779 4.660 -0.001 0.000 0.328 428 W C -0.128 176.559 176.519 0.278 0.000 1.205 428 W CA -0.088 57.415 57.345 0.264 0.000 1.773 428 W CB 0.434 30.003 29.460 0.183 0.000 1.086 428 W HN -0.196 nan 8.180 nan 0.000 0.622 429 T N 1.446 116.163 114.554 0.273 0.000 2.749 429 T HA 0.485 4.834 4.350 -0.001 0.000 0.287 429 T C 0.397 174.856 174.700 -0.401 0.000 0.970 429 T CA -0.358 61.767 62.100 0.043 0.000 0.980 429 T CB 1.829 70.732 68.868 0.059 0.000 0.924 429 T HN -0.005 nan 8.240 nan 0.000 0.456 430 A N 6.042 128.462 122.820 -0.666 0.000 2.565 430 A HA 0.248 4.568 4.320 -0.001 0.000 0.237 430 A C -0.672 176.406 177.584 -0.844 0.000 1.053 430 A CA -0.912 50.381 52.037 -1.240 0.000 0.755 430 A CB -0.027 18.639 19.000 -0.558 0.000 0.980 430 A HN 0.559 nan 8.150 nan 0.000 0.506 431 P HA -0.195 nan 4.420 nan 0.000 0.220 431 P C 1.055 178.133 177.300 -0.370 0.000 1.148 431 P CA 1.517 64.300 63.100 -0.528 0.000 0.803 431 P CB 0.110 31.550 31.700 -0.434 0.000 0.782 432 E N 0.522 120.554 120.200 -0.281 0.000 2.274 432 E HA -0.069 4.280 4.350 -0.001 0.000 0.194 432 E C 1.795 178.303 176.600 -0.153 0.000 0.996 432 E CA 1.202 57.568 56.400 -0.057 0.000 0.840 432 E CB -1.004 28.731 29.700 0.058 0.000 0.772 432 E HN 0.174 nan 8.360 nan 0.000 0.491 433 A N 1.753 124.350 122.820 -0.371 0.000 1.903 433 A HA 0.303 4.622 4.320 -0.001 0.000 0.213 433 A C 2.491 179.760 177.584 -0.525 0.000 1.185 433 A CA 1.522 53.160 52.037 -0.665 0.000 0.628 433 A CB -0.594 17.749 19.000 -1.094 0.000 0.830 433 A HN 0.360 nan 8.150 nan 0.000 0.446 434 A N -0.114 122.492 122.820 -0.357 0.000 1.877 434 A HA -0.025 4.295 4.320 -0.001 0.000 0.216 434 A C 2.162 179.564 177.584 -0.304 0.000 1.186 434 A CA 1.551 53.455 52.037 -0.222 0.000 0.620 434 A CB -0.579 18.328 19.000 -0.154 0.000 0.822 434 A HN 0.446 nan 8.150 nan 0.000 0.443 435 L N -2.789 118.163 121.223 -0.453 0.000 2.095 435 L HA -0.075 4.264 4.340 -0.001 0.000 0.204 435 L C 1.834 178.303 176.870 -0.669 0.000 1.080 435 L CA 1.128 55.554 54.840 -0.689 0.000 0.759 435 L CB -0.239 41.108 42.059 -1.188 0.000 0.914 435 L HN 0.577 nan 8.230 nan 0.000 0.439 436 Y N -1.501 118.734 120.300 -0.108 0.000 2.500 436 Y HA 0.363 4.913 4.550 -0.001 0.000 0.246 436 Y C 1.569 177.446 175.900 -0.040 0.000 1.146 436 Y CA 0.095 58.154 58.100 -0.068 0.000 1.230 436 Y CB 0.653 39.075 38.460 -0.064 0.000 1.214 436 Y HN 0.133 nan 8.280 nan 0.000 0.526 437 G N 1.763 110.580 108.800 0.028 0.000 2.198 437 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.260 437 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.260 437 G C 0.126 175.123 174.900 0.161 0.000 1.025 437 G CA -0.258 44.928 45.100 0.143 0.000 0.769 437 G HN 0.394 nan 8.290 nan 0.000 0.507 438 R N -0.177 120.319 120.500 -0.008 0.000 2.891 438 R HA 0.379 4.718 4.340 -0.001 0.000 0.248 438 R C -0.478 175.778 176.300 -0.074 0.000 1.439 438 R CA -0.287 55.830 56.100 0.028 0.000 1.288 438 R CB -0.026 30.295 30.300 0.034 0.000 1.212 438 R HN 0.219 nan 8.270 nan 0.000 0.605 439 F N 1.337 121.349 119.950 0.103 0.000 2.424 439 F HA 0.194 4.720 4.527 -0.001 0.000 0.356 439 F C 1.264 177.137 175.800 0.123 0.000 1.110 439 F CA -0.032 58.043 58.000 0.124 0.000 1.161 439 F CB 1.376 40.461 39.000 0.141 0.000 1.115 439 F HN 0.320 nan 8.300 nan 0.000 0.507 440 T N -0.035 114.675 114.554 0.259 0.000 2.778 440 T HA 0.343 4.692 4.350 -0.001 0.000 0.293 440 T C 0.524 175.365 174.700 0.236 0.000 1.144 440 T CA -0.699 61.526 62.100 0.209 0.000 1.010 440 T CB 1.060 70.009 68.868 0.135 0.000 1.325 440 T HN 0.346 nan 8.240 nan 0.000 0.515 441 I N 0.835 121.532 120.570 0.211 0.000 2.567 441 I HA -0.015 4.155 4.170 -0.001 0.000 0.257 441 I C 1.940 178.187 176.117 0.218 0.000 1.184 441 I CA 1.453 62.910 61.300 0.262 0.000 1.451 441 I CB -0.371 37.767 38.000 0.230 0.000 1.089 441 I HN 0.511 nan 8.210 nan 0.000 0.441 442 K N 0.135 120.620 120.400 0.141 0.000 2.155 442 K HA 0.021 4.340 4.320 -0.001 0.000 0.203 442 K C 2.294 179.002 176.600 0.179 0.000 1.052 442 K CA 1.347 57.696 56.287 0.102 0.000 0.948 442 K CB -0.695 31.849 32.500 0.073 0.000 0.728 442 K HN 0.536 nan 8.250 nan 0.000 0.448 443 S N 1.160 116.976 115.700 0.194 0.000 2.406 443 S HA -0.102 4.367 4.470 -0.001 0.000 0.228 443 S C 1.457 176.272 174.600 0.358 0.000 1.020 443 S CA 0.938 59.270 58.200 0.220 0.000 0.965 443 S CB -0.132 63.116 63.200 0.081 0.000 0.798 443 S HN 0.107 nan 8.310 nan 0.000 0.488 444 D N 1.802 122.434 120.400 0.387 0.000 2.144 444 D HA -0.033 4.606 4.640 -0.001 0.000 0.199 444 D C 2.095 178.712 176.300 0.529 0.000 0.984 444 D CA 0.950 55.248 54.000 0.498 0.000 0.834 444 D CB -0.547 40.593 40.800 0.566 0.000 0.955 444 D HN 0.327 nan 8.370 nan 0.000 0.465 445 V N 0.952 121.017 119.914 0.252 0.000 2.343 445 V HA -0.208 3.911 4.120 -0.001 0.000 0.247 445 V C 2.176 178.431 176.094 0.269 0.000 1.051 445 V CA 1.269 63.542 62.300 -0.045 0.000 1.036 445 V CB -0.475 31.149 31.823 -0.332 0.000 0.654 445 V HN 0.388 nan 8.190 nan 0.000 0.451 446 W N 1.381 122.797 121.300 0.192 0.000 2.333 446 W HA -0.233 4.426 4.660 -0.001 0.000 0.316 446 W C 2.565 179.328 176.519 0.408 0.000 1.215 446 W CA 2.328 59.862 57.345 0.316 0.000 1.278 446 W CB -0.685 28.929 29.460 0.257 0.000 1.154 446 W HN 0.359 nan 8.180 nan 0.000 0.486 447 S N 0.763 116.915 115.700 0.754 0.000 2.383 447 S HA -0.259 4.210 4.470 -0.001 0.000 0.229 447 S C 1.588 176.518 174.600 0.550 0.000 1.030 447 S CA 1.686 60.290 58.200 0.674 0.000 1.002 447 S CB -1.178 62.366 63.200 0.574 0.000 0.829 447 S HN 0.322 nan 8.310 nan 0.000 0.467 448 F N 2.669 122.835 119.950 0.360 0.000 2.126 448 F HA -0.045 4.482 4.527 -0.001 0.000 0.299 448 F C 2.314 178.205 175.800 0.152 0.000 1.096 448 F CA 1.214 59.378 58.000 0.273 0.000 1.255 448 F CB -0.983 38.218 39.000 0.336 0.000 0.997 448 F HN 0.223 nan 8.300 nan 0.000 0.479 449 G N 0.978 109.845 108.800 0.111 0.000 2.440 449 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.218 449 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.218 449 G C 1.664 176.624 174.900 0.100 0.000 1.154 449 G CA 1.093 46.082 45.100 -0.186 0.000 0.767 449 G HN 0.352 nan 8.290 nan 0.000 0.552 450 I N 0.647 121.435 120.570 0.364 0.000 2.226 450 I HA -0.087 4.082 4.170 -0.001 0.000 0.245 450 I C 2.721 178.939 176.117 0.169 0.000 1.100 450 I CA 0.731 62.175 61.300 0.241 0.000 1.374 450 I CB -1.194 36.873 38.000 0.112 0.000 1.057 450 I HN 0.167 nan 8.210 nan 0.000 0.413 451 L N 0.534 121.887 121.223 0.217 0.000 2.043 451 L HA -0.241 4.098 4.340 -0.001 0.000 0.212 451 L C 2.643 179.468 176.870 -0.075 0.000 1.075 451 L CA 1.402 56.311 54.840 0.116 0.000 0.752 451 L CB -0.206 41.865 42.059 0.021 0.000 0.891 451 L HN 0.165 nan 8.230 nan 0.000 0.432 452 L N -0.672 120.395 121.223 -0.261 0.000 2.081 452 L HA -0.263 4.077 4.340 -0.001 0.000 0.212 452 L C 2.687 179.495 176.870 -0.103 0.000 1.080 452 L CA 1.964 56.652 54.840 -0.253 0.000 0.754 452 L CB -1.143 40.710 42.059 -0.342 0.000 0.893 452 L HN 0.538 nan 8.230 nan 0.000 0.433 453 T N -3.517 111.019 114.554 -0.030 0.000 2.857 453 T HA -0.154 4.195 4.350 -0.001 0.000 0.266 453 T C 1.585 176.288 174.700 0.005 0.000 1.048 453 T CA 1.034 63.135 62.100 0.002 0.000 1.139 453 T CB -0.245 68.636 68.868 0.023 0.000 0.874 453 T HN 0.377 nan 8.240 nan 0.000 0.455 454 E N 1.116 121.341 120.200 0.042 0.000 2.058 454 E HA -0.055 4.294 4.350 -0.001 0.000 0.194 454 E C 2.253 178.880 176.600 0.046 0.000 0.997 454 E CA 1.241 57.688 56.400 0.077 0.000 0.801 454 E CB -0.397 29.405 29.700 0.170 0.000 0.746 454 E HN 0.447 nan 8.360 nan 0.000 0.450 455 L N 0.698 121.933 121.223 0.020 0.000 2.046 455 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 455 L C 2.592 179.466 176.870 0.006 0.000 1.077 455 L CA 1.607 56.455 54.840 0.012 0.000 0.747 455 L CB -0.435 41.611 42.059 -0.021 0.000 0.896 455 L HN 0.300 nan 8.230 nan 0.000 0.432 456 T N -5.539 109.008 114.554 -0.010 0.000 3.129 456 T HA -0.003 4.346 4.350 -0.001 0.000 0.251 456 T C 1.066 175.765 174.700 -0.003 0.000 1.117 456 T CA 0.655 62.750 62.100 -0.008 0.000 1.034 456 T CB -0.354 68.500 68.868 -0.023 0.000 0.968 456 T HN 0.376 nan 8.240 nan 0.000 0.526 457 T N -1.095 113.460 114.554 0.002 0.000 3.288 457 T HA 0.363 4.712 4.350 -0.001 0.000 0.293 457 T C 0.284 174.987 174.700 0.005 0.000 1.008 457 T CA -0.789 61.311 62.100 0.000 0.000 0.929 457 T CB -0.444 68.422 68.868 -0.004 0.000 1.152 457 T HN 0.370 nan 8.240 nan 0.000 0.517 458 K N 1.080 121.484 120.400 0.007 0.000 3.071 458 K HA -0.188 4.131 4.320 -0.001 0.000 0.265 458 K C 1.059 177.669 176.600 0.016 0.000 1.060 458 K CA 0.522 56.810 56.287 0.001 0.000 0.767 458 K CB -2.072 30.418 32.500 -0.016 0.000 1.241 458 K HN 1.073 nan 8.250 nan 0.000 0.486 459 G N 0.507 109.330 108.800 0.038 0.000 2.143 459 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.248 459 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.248 459 G C 0.125 175.067 174.900 0.070 0.000 0.991 459 G CA 0.577 45.716 45.100 0.065 0.000 0.689 459 G HN 0.637 nan 8.290 nan 0.000 0.522 460 R N -0.647 119.879 120.500 0.044 0.000 2.643 460 R HA 0.590 4.929 4.340 -0.001 0.000 0.270 460 R C 0.623 176.955 176.300 0.054 0.000 1.061 460 R CA -0.237 55.887 56.100 0.039 0.000 1.107 460 R CB 0.940 31.248 30.300 0.013 0.000 0.999 460 R HN 0.503 nan 8.270 nan 0.000 0.460 461 V N 3.906 123.857 119.914 0.062 0.000 2.673 461 V HA 0.124 4.243 4.120 -0.001 0.000 0.303 461 V C -1.866 174.204 176.094 -0.040 0.000 1.046 461 V CA -1.512 60.828 62.300 0.066 0.000 1.126 461 V CB 0.443 32.318 31.823 0.087 0.000 0.934 461 V HN 0.846 nan 8.190 nan 0.000 0.487 462 P HA 0.174 nan 4.420 nan 0.000 0.270 462 P C -0.985 176.246 177.300 -0.115 0.000 1.223 462 P CA 0.197 63.115 63.100 -0.304 0.000 0.785 462 P CB 0.031 31.396 31.700 -0.558 0.000 0.923 463 Y N -0.814 119.413 120.300 -0.123 0.000 2.988 463 Y HA -0.174 4.376 4.550 -0.001 0.000 0.193 463 Y C -1.020 174.845 175.900 -0.058 0.000 1.388 463 Y CA -0.220 57.840 58.100 -0.067 0.000 0.904 463 Y CB -2.386 36.020 38.460 -0.090 0.000 1.297 463 Y HN 0.487 nan 8.280 nan 0.000 0.432 464 P HA -0.206 nan 4.420 nan 0.000 0.216 464 P C 1.830 179.148 177.300 0.030 0.000 1.150 464 P CA 2.132 65.249 63.100 0.029 0.000 0.837 464 P CB 0.022 31.728 31.700 0.010 0.000 0.786 465 G N -0.893 107.925 108.800 0.029 0.000 2.448 465 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.219 465 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.219 465 G C 0.850 175.743 174.900 -0.011 0.000 1.127 465 G CA 0.442 45.544 45.100 0.003 0.000 0.766 465 G HN 0.255 nan 8.290 nan 0.000 0.552 466 M N 0.380 119.981 119.600 0.001 0.000 2.537 466 M HA 0.459 4.938 4.480 -0.001 0.000 0.324 466 M C -0.044 176.244 176.300 -0.021 0.000 1.187 466 M CA -0.938 54.341 55.300 -0.035 0.000 0.993 466 M CB 2.563 35.117 32.600 -0.078 0.000 1.666 466 M HN -0.062 nan 8.290 nan 0.000 0.461 467 V N -0.284 119.608 119.914 -0.036 0.000 2.837 467 V HA 0.405 4.524 4.120 -0.001 0.000 0.310 467 V C 0.764 176.834 176.094 -0.039 0.000 1.059 467 V CA -0.789 61.499 62.300 -0.020 0.000 1.004 467 V CB 0.972 32.787 31.823 -0.013 0.000 1.045 467 V HN 0.858 nan 8.190 nan 0.000 0.465 468 N N 2.158 120.852 118.700 -0.009 0.000 2.132 468 N HA -0.216 4.523 4.740 -0.001 0.000 0.191 468 N C 1.704 177.194 175.510 -0.033 0.000 1.015 468 N CA 2.413 55.459 53.050 -0.007 0.000 0.864 468 N CB -0.614 37.904 38.487 0.052 0.000 1.006 468 N HN 0.889 nan 8.380 nan 0.000 0.430 469 R N 0.594 121.076 120.500 -0.029 0.000 2.276 469 R HA 0.100 4.439 4.340 -0.001 0.000 0.203 469 R C 0.989 177.249 176.300 -0.066 0.000 1.017 469 R CA 0.836 56.913 56.100 -0.038 0.000 1.010 469 R CB -0.156 30.130 30.300 -0.023 0.000 0.900 469 R HN 0.343 nan 8.270 nan 0.000 0.469 470 E N 0.886 121.033 120.200 -0.088 0.000 2.364 470 E HA 0.029 4.378 4.350 -0.001 0.000 0.196 470 E C 1.726 178.225 176.600 -0.168 0.000 0.990 470 E CA 0.179 56.510 56.400 -0.115 0.000 0.886 470 E CB 0.298 29.928 29.700 -0.116 0.000 0.866 470 E HN 0.034 nan 8.360 nan 0.000 0.493 471 V N 2.186 121.973 119.914 -0.211 0.000 2.255 471 V HA -0.270 3.849 4.120 -0.001 0.000 0.247 471 V C 2.306 178.236 176.094 -0.274 0.000 1.051 471 V CA 1.592 63.684 62.300 -0.347 0.000 1.018 471 V CB -0.408 31.146 31.823 -0.449 0.000 0.641 471 V HN 0.346 nan 8.190 nan 0.000 0.445 472 L N -0.282 120.824 121.223 -0.194 0.000 2.046 472 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 472 L C 2.416 179.208 176.870 -0.130 0.000 1.077 472 L CA 2.101 56.844 54.840 -0.163 0.000 0.747 472 L CB -0.605 41.370 42.059 -0.141 0.000 0.896 472 L HN 0.388 nan 8.230 nan 0.000 0.432 473 D N -0.397 119.934 120.400 -0.115 0.000 2.106 473 D HA -0.238 4.401 4.640 -0.001 0.000 0.191 473 D C 2.289 178.548 176.300 -0.069 0.000 0.997 473 D CA 1.220 55.168 54.000 -0.087 0.000 0.834 473 D CB -0.182 40.568 40.800 -0.083 0.000 0.956 473 D HN 0.356 nan 8.370 nan 0.000 0.448 474 Q N 0.159 119.904 119.800 -0.092 0.000 2.061 474 Q HA -0.124 4.215 4.340 -0.001 0.000 0.204 474 Q C 2.553 178.585 176.000 0.054 0.000 0.984 474 Q CA 1.517 57.284 55.803 -0.060 0.000 0.846 474 Q CB -0.575 28.047 28.738 -0.192 0.000 0.902 474 Q HN 0.432 nan 8.270 nan 0.000 0.421 475 V N -1.485 118.446 119.914 0.029 0.000 2.427 475 V HA -0.146 3.974 4.120 -0.001 0.000 0.248 475 V C 1.947 178.092 176.094 0.085 0.000 1.051 475 V CA 1.728 64.097 62.300 0.116 0.000 1.048 475 V CB -0.635 31.255 31.823 0.113 0.000 0.666 475 V HN 0.204 nan 8.190 nan 0.000 0.456 476 E N 1.318 121.523 120.200 0.008 0.000 2.204 476 E HA -0.174 4.175 4.350 -0.001 0.000 0.195 476 E C 2.038 178.659 176.600 0.035 0.000 0.990 476 E CA 1.383 57.784 56.400 0.003 0.000 0.821 476 E CB -0.029 29.648 29.700 -0.039 0.000 0.750 476 E HN 0.818 nan 8.360 nan 0.000 0.477 477 R N -0.956 119.572 120.500 0.046 0.000 2.480 477 R HA 0.202 4.541 4.340 -0.001 0.000 0.277 477 R C 0.914 177.267 176.300 0.090 0.000 1.008 477 R CA 0.620 56.754 56.100 0.057 0.000 1.090 477 R CB 0.377 30.700 30.300 0.038 0.000 1.234 477 R HN 0.084 nan 8.270 nan 0.000 0.549 478 G N 0.877 109.746 108.800 0.115 0.000 2.159 478 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.227 478 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.227 478 G C -0.322 174.660 174.900 0.137 0.000 0.986 478 G CA -0.000 45.172 45.100 0.121 0.000 0.651 478 G HN 0.520 nan 8.290 nan 0.000 0.523 479 Y N 2.536 122.867 120.300 0.053 0.000 2.511 479 Y HA 0.597 5.146 4.550 -0.001 0.000 0.332 479 Y C 0.628 176.563 175.900 0.059 0.000 1.177 479 Y CA -0.109 58.023 58.100 0.053 0.000 1.422 479 Y CB 0.509 38.992 38.460 0.039 0.000 1.271 479 Y HN 0.218 nan 8.280 nan 0.000 0.550 480 R N 5.829 125.884 120.500 -0.743 0.000 2.771 480 R HA 0.338 4.677 4.340 -0.001 0.000 0.274 480 R C -0.914 174.853 176.300 -0.887 0.000 0.987 480 R CA -1.207 54.516 56.100 -0.629 0.000 0.908 480 R CB 1.737 31.892 30.300 -0.241 0.000 1.213 480 R HN 0.848 nan 8.270 nan 0.000 0.468 481 M N 3.934 123.141 119.600 -0.654 0.000 2.251 481 M HA 0.091 4.570 4.480 -0.001 0.000 0.343 481 M C -1.599 174.665 176.300 -0.060 0.000 1.245 481 M CA -0.670 54.410 55.300 -0.366 0.000 1.061 481 M CB 0.264 32.621 32.600 -0.404 0.000 1.723 481 M HN 0.198 nan 8.290 nan 0.000 0.449 482 P HA 0.012 nan 4.420 nan 0.000 0.275 482 P C -0.561 176.477 177.300 -0.438 0.000 1.266 482 P CA -0.612 62.395 63.100 -0.155 0.000 0.793 482 P CB 0.426 32.055 31.700 -0.118 0.000 1.074 483 C N 2.176 120.897 119.300 -0.964 0.000 2.517 483 C HA 0.111 4.570 4.460 -0.001 0.000 0.403 483 C C -1.833 172.963 174.990 -0.322 0.000 1.467 483 C CA -0.835 57.657 59.018 -0.877 0.000 1.542 483 C CB -1.750 25.651 27.740 -0.565 0.000 2.482 483 C HN 0.401 nan 8.230 nan 0.000 0.610 484 P HA 0.224 nan 4.420 nan 0.000 0.269 484 P C -2.544 174.711 177.300 -0.075 0.000 1.215 484 P CA -0.898 62.145 63.100 -0.095 0.000 0.780 484 P CB -0.206 31.463 31.700 -0.051 0.000 0.898 485 P HA 0.004 nan 4.420 nan 0.000 0.267 485 P C 0.171 177.458 177.300 -0.021 0.000 1.205 485 P CA 0.810 63.889 63.100 -0.035 0.000 0.765 485 P CB 0.099 31.784 31.700 -0.024 0.000 0.828 486 E N -1.667 118.525 120.200 -0.013 0.000 4.028 486 E HA -0.215 4.134 4.350 -0.001 0.000 0.343 486 E C 0.201 176.808 176.600 0.011 0.000 0.700 486 E CA 0.588 56.990 56.400 0.003 0.000 1.288 486 E CB -2.015 27.690 29.700 0.008 0.000 1.677 486 E HN 0.548 nan 8.360 nan 0.000 0.424 487 C N 3.168 122.466 119.300 -0.003 0.000 2.452 487 C HA 0.499 4.959 4.460 -0.001 0.000 0.379 487 C C -1.890 173.114 174.990 0.023 0.000 1.275 487 C CA -1.378 57.644 59.018 0.006 0.000 2.056 487 C CB 0.159 27.890 27.740 -0.014 0.000 2.506 487 C HN 0.107 nan 8.230 nan 0.000 0.560 488 P HA 0.185 nan 4.420 nan 0.000 0.275 488 P C 0.149 177.503 177.300 0.091 0.000 1.228 488 P CA 0.307 63.458 63.100 0.084 0.000 0.786 488 P CB 0.788 32.574 31.700 0.143 0.000 0.927 489 E N 2.056 122.307 120.200 0.085 0.000 2.153 489 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 489 E C 1.690 178.364 176.600 0.123 0.000 0.988 489 E CA 1.997 58.461 56.400 0.107 0.000 0.811 489 E CB -0.681 29.068 29.700 0.082 0.000 0.746 489 E HN 0.458 nan 8.360 nan 0.000 0.466 490 S N -0.154 115.626 115.700 0.133 0.000 2.399 490 S HA -0.131 4.338 4.470 -0.001 0.000 0.231 490 S C 2.057 176.786 174.600 0.216 0.000 1.022 490 S CA 0.996 59.302 58.200 0.176 0.000 0.983 490 S CB -0.367 62.954 63.200 0.201 0.000 0.803 490 S HN 0.285 nan 8.310 nan 0.000 0.480 491 L N 0.557 121.882 121.223 0.170 0.000 2.179 491 L HA -0.014 4.325 4.340 -0.001 0.000 0.208 491 L C 2.892 179.735 176.870 -0.044 0.000 1.096 491 L CA 1.277 56.140 54.840 0.038 0.000 0.779 491 L CB -0.533 41.481 42.059 -0.075 0.000 0.922 491 L HN 0.521 nan 8.230 nan 0.000 0.443 492 H N -0.156 118.855 119.070 -0.098 0.000 2.387 492 H HA -0.243 4.312 4.556 -0.001 0.000 0.299 492 H C 1.659 176.855 175.328 -0.220 0.000 1.090 492 H CA 2.064 58.016 56.048 -0.161 0.000 1.332 492 H CB 0.322 30.033 29.762 -0.086 0.000 1.386 492 H HN 0.370 nan 8.280 nan 0.000 0.516 493 D N 0.035 120.313 120.400 -0.204 0.000 2.144 493 D HA -0.155 4.484 4.640 -0.001 0.000 0.199 493 D C 2.394 178.485 176.300 -0.349 0.000 0.984 493 D CA 0.773 54.615 54.000 -0.263 0.000 0.834 493 D CB -0.095 40.649 40.800 -0.094 0.000 0.955 493 D HN 0.273 nan 8.370 nan 0.000 0.465 494 L N 0.065 121.092 121.223 -0.326 0.000 2.017 494 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 494 L C 2.218 178.759 176.870 -0.549 0.000 1.073 494 L CA 1.640 56.218 54.840 -0.437 0.000 0.745 494 L CB -0.518 41.278 42.059 -0.439 0.000 0.894 494 L HN 0.187 nan 8.230 nan 0.000 0.432 495 M N -1.906 117.282 119.600 -0.687 0.000 2.089 495 M HA -0.339 4.140 4.480 -0.001 0.000 0.257 495 M C 2.402 177.750 176.300 -1.586 0.000 1.071 495 M CA 2.155 56.717 55.300 -1.230 0.000 1.096 495 M CB -0.956 30.830 32.600 -1.357 0.000 1.330 495 M HN 0.382 nan 8.290 nan 0.000 0.403 496 C N 0.155 118.814 119.300 -1.068 0.000 2.435 496 C HA -0.135 4.324 4.460 -0.001 0.000 0.279 496 C C 2.683 177.425 174.990 -0.413 0.000 1.321 496 C CA 0.813 59.456 59.018 -0.626 0.000 1.752 496 C CB -1.123 26.344 27.740 -0.455 0.000 1.959 496 C HN 0.572 nan 8.230 nan 0.000 0.500 497 Q N -0.667 118.882 119.800 -0.418 0.000 2.084 497 Q HA -0.198 4.142 4.340 -0.001 0.000 0.202 497 Q C 2.267 178.093 176.000 -0.291 0.000 0.978 497 Q CA 1.770 57.393 55.803 -0.300 0.000 0.844 497 Q CB -0.345 28.216 28.738 -0.294 0.000 0.898 497 Q HN 0.693 nan 8.270 nan 0.000 0.426 498 C N -0.452 118.584 119.300 -0.441 0.000 2.419 498 C HA -0.107 4.352 4.460 -0.001 0.000 0.283 498 C C 1.128 175.975 174.990 -0.239 0.000 1.373 498 C CA 0.102 58.902 59.018 -0.362 0.000 1.781 498 C CB -0.814 26.654 27.740 -0.453 0.000 1.886 498 C HN 0.613 nan 8.230 nan 0.000 0.520 499 W N 0.996 122.040 121.300 -0.427 0.000 3.067 499 W HA 0.350 5.009 4.660 -0.001 0.000 0.417 499 W C 0.736 177.153 176.519 -0.170 0.000 1.029 499 W CA -1.143 55.761 57.345 -0.734 0.000 1.992 499 W CB -1.060 27.823 29.460 -0.961 0.000 1.122 499 W HN 0.283 nan 8.180 nan 0.000 0.681 500 R N 1.396 121.983 120.500 0.145 0.000 2.640 500 R HA -0.047 4.292 4.340 -0.001 0.000 0.270 500 R C 1.811 178.290 176.300 0.297 0.000 1.024 500 R CA 0.332 56.528 56.100 0.161 0.000 1.085 500 R CB 0.947 31.284 30.300 0.063 0.000 0.963 500 R HN 0.016 nan 8.270 nan 0.000 0.426 501 K N 2.100 122.637 120.400 0.228 0.000 2.032 501 K HA -0.154 4.165 4.320 -0.001 0.000 0.209 501 K C -0.107 176.583 176.600 0.150 0.000 1.048 501 K CA 1.397 57.808 56.287 0.206 0.000 0.927 501 K CB 0.233 32.811 32.500 0.130 0.000 0.712 501 K HN 0.438 nan 8.250 nan 0.000 0.441 502 E N 1.187 121.449 120.200 0.104 0.000 2.180 502 E HA 0.040 4.389 4.350 -0.001 0.000 0.283 502 E C -2.000 174.645 176.600 0.076 0.000 1.061 502 E CA -2.015 54.425 56.400 0.067 0.000 0.861 502 E CB 1.351 31.072 29.700 0.035 0.000 1.056 502 E HN 0.218 nan 8.360 nan 0.000 0.407 503 P HA -0.135 nan 4.420 nan 0.000 0.218 503 P C 0.882 178.207 177.300 0.043 0.000 1.148 503 P CA 1.027 64.175 63.100 0.081 0.000 0.822 503 P CB 0.501 32.237 31.700 0.061 0.000 0.784 504 E N -0.564 119.648 120.200 0.020 0.000 2.371 504 E HA -0.082 4.267 4.350 -0.001 0.000 0.194 504 E C 1.271 177.856 176.600 -0.024 0.000 1.012 504 E CA 0.670 57.068 56.400 -0.003 0.000 0.860 504 E CB -0.215 29.481 29.700 -0.006 0.000 0.811 504 E HN 0.269 nan 8.360 nan 0.000 0.502 505 E N 0.319 120.507 120.200 -0.020 0.000 2.489 505 E HA 0.065 4.414 4.350 -0.001 0.000 0.193 505 E C 0.025 176.580 176.600 -0.074 0.000 1.057 505 E CA 0.043 56.414 56.400 -0.048 0.000 0.866 505 E CB 0.099 29.778 29.700 -0.036 0.000 0.916 505 E HN 0.067 nan 8.360 nan 0.000 0.500 506 R N 1.474 121.941 120.500 -0.056 0.000 2.582 506 R HA 0.195 4.535 4.340 -0.001 0.000 0.271 506 R C -2.067 174.136 176.300 -0.161 0.000 1.078 506 R CA -1.607 54.439 56.100 -0.091 0.000 1.127 506 R CB -0.023 30.261 30.300 -0.028 0.000 1.038 506 R HN 0.019 nan 8.270 nan 0.000 0.500 507 P HA -0.035 nan 4.420 nan 0.000 0.271 507 P C -0.296 176.875 177.300 -0.214 0.000 1.233 507 P CA -0.193 62.753 63.100 -0.256 0.000 0.789 507 P CB 0.416 31.981 31.700 -0.225 0.000 0.951 508 T N -2.033 112.445 114.554 -0.127 0.000 2.868 508 T HA 0.218 4.568 4.350 -0.001 0.000 0.292 508 T C 1.117 175.753 174.700 -0.107 0.000 1.028 508 T CA -0.239 61.804 62.100 -0.095 0.000 1.059 508 T CB -0.059 68.817 68.868 0.013 0.000 0.991 508 T HN 0.183 nan 8.240 nan 0.000 0.531 509 F N 0.031 119.951 119.950 -0.051 0.000 2.216 509 F HA 0.001 4.527 4.527 -0.001 0.000 0.300 509 F C 2.734 178.492 175.800 -0.070 0.000 1.085 509 F CA 1.462 59.385 58.000 -0.128 0.000 1.326 509 F CB -0.209 38.698 39.000 -0.156 0.000 1.027 509 F HN 0.811 nan 8.300 nan 0.000 0.497 510 E N -0.166 120.128 120.200 0.157 0.000 2.070 510 E HA -0.328 4.021 4.350 -0.001 0.000 0.197 510 E C 2.128 178.793 176.600 0.107 0.000 1.004 510 E CA 1.743 58.208 56.400 0.108 0.000 0.805 510 E CB -0.399 29.357 29.700 0.093 0.000 0.744 510 E HN 0.553 nan 8.360 nan 0.000 0.451 511 Y N 0.895 121.199 120.300 0.007 0.000 2.163 511 Y HA -0.165 4.385 4.550 -0.001 0.000 0.288 511 Y C 2.030 177.954 175.900 0.041 0.000 1.136 511 Y CA 1.617 59.725 58.100 0.013 0.000 1.147 511 Y CB -0.211 38.229 38.460 -0.033 0.000 0.987 511 Y HN 0.022 nan 8.280 nan 0.000 0.509 512 L N 0.303 121.566 121.223 0.066 0.000 2.042 512 L HA -0.282 4.057 4.340 -0.001 0.000 0.210 512 L C 2.724 179.611 176.870 0.028 0.000 1.076 512 L CA 1.973 56.814 54.840 0.001 0.000 0.749 512 L CB -0.698 41.306 42.059 -0.092 0.000 0.893 512 L HN 0.359 nan 8.230 nan 0.000 0.432 513 Q N 0.039 119.852 119.800 0.022 0.000 2.050 513 Q HA -0.229 4.110 4.340 -0.001 0.000 0.202 513 Q C 2.287 178.301 176.000 0.022 0.000 0.980 513 Q CA 1.789 57.615 55.803 0.038 0.000 0.840 513 Q CB -0.058 28.701 28.738 0.035 0.000 0.898 513 Q HN 0.514 nan 8.270 nan 0.000 0.424 514 A N 0.347 123.151 122.820 -0.026 0.000 1.873 514 A HA -0.179 4.140 4.320 -0.001 0.000 0.215 514 A C 1.875 179.411 177.584 -0.079 0.000 1.186 514 A CA 1.235 53.237 52.037 -0.059 0.000 0.616 514 A CB -1.035 17.911 19.000 -0.090 0.000 0.823 514 A HN 0.615 nan 8.150 nan 0.000 0.442 515 F N 0.458 120.223 119.950 -0.309 0.000 2.126 515 F HA -0.165 4.361 4.527 -0.001 0.000 0.299 515 F C 1.900 177.655 175.800 -0.076 0.000 1.096 515 F CA 1.876 59.711 58.000 -0.275 0.000 1.255 515 F CB -0.129 38.622 39.000 -0.414 0.000 0.997 515 F HN 0.144 nan 8.300 nan 0.000 0.479 516 L N -0.179 121.168 121.223 0.206 0.000 2.072 516 L HA -0.141 4.198 4.340 -0.001 0.000 0.205 516 L C 2.352 179.260 176.870 0.064 0.000 1.079 516 L CA 1.325 56.258 54.840 0.155 0.000 0.752 516 L CB -0.692 41.485 42.059 0.197 0.000 0.906 516 L HN 0.124 nan 8.230 nan 0.000 0.436 517 E N 0.069 120.295 120.200 0.043 0.000 2.110 517 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 517 E C 0.884 177.490 176.600 0.010 0.000 0.988 517 E CA 1.202 57.623 56.400 0.036 0.000 0.804 517 E CB 0.051 29.763 29.700 0.021 0.000 0.745 517 E HN 0.468 nan 8.360 nan 0.000 0.458 518 D N -0.649 119.713 120.400 -0.062 0.000 2.340 518 D HA -0.043 4.596 4.640 -0.001 0.000 0.217 518 D C 1.010 177.191 176.300 -0.198 0.000 1.081 518 D CA -0.004 53.931 54.000 -0.110 0.000 0.842 518 D CB 0.037 40.747 40.800 -0.150 0.000 0.934 518 D HN 0.204 nan 8.370 nan 0.000 0.511 519 Y N 0.726 120.808 120.300 -0.364 0.000 2.207 519 Y HA -0.150 4.399 4.550 -0.001 0.000 0.287 519 Y C 0.238 175.778 175.900 -0.599 0.000 1.156 519 Y CA 1.213 58.945 58.100 -0.612 0.000 1.182 519 Y CB -0.109 37.956 38.460 -0.658 0.000 0.979 519 Y HN -0.198 nan 8.280 nan 0.000 0.521 520 F N 1.286 121.205 119.950 -0.052 0.000 2.303 520 F HA 0.225 4.751 4.527 -0.001 0.000 0.368 520 F C 0.345 176.083 175.800 -0.104 0.000 1.105 520 F CA -0.813 57.135 58.000 -0.086 0.000 1.153 520 F CB 0.481 39.494 39.000 0.021 0.000 1.362 520 F HN -0.187 nan 8.300 nan 0.000 0.511 521 T N -0.067 114.475 114.554 -0.019 0.000 2.729 521 T HA 0.248 4.597 4.350 -0.001 0.000 0.296 521 T C 0.088 174.782 174.700 -0.010 0.000 0.928 521 T CA -0.665 61.407 62.100 -0.047 0.000 1.045 521 T CB 1.260 70.063 68.868 -0.108 0.000 0.902 521 T HN 0.399 nan 8.240 nan 0.000 0.500 522 S N 3.080 118.777 115.700 -0.004 0.000 2.452 522 S HA 0.256 4.725 4.470 -0.001 0.000 0.284 522 S C 1.745 176.331 174.600 -0.022 0.000 1.171 522 S CA -0.135 58.059 58.200 -0.010 0.000 1.064 522 S CB 0.722 63.917 63.200 -0.008 0.000 0.967 522 S HN 1.013 nan 8.310 nan 0.000 0.484 523 T N 3.709 118.249 114.554 -0.024 0.000 2.684 523 T HA -0.220 4.129 4.350 -0.001 0.000 0.267 523 T C 0.527 175.213 174.700 -0.023 0.000 1.032 523 T CA 1.888 63.974 62.100 -0.024 0.000 1.155 523 T CB -0.783 68.072 68.868 -0.022 0.000 0.857 523 T HN 0.814 nan 8.240 nan 0.000 0.457 524 E N 2.633 122.820 120.200 -0.022 0.000 2.537 524 E HA 0.066 4.415 4.350 -0.001 0.000 0.269 524 E C -2.204 174.382 176.600 -0.023 0.000 1.038 524 E CA -0.409 55.977 56.400 -0.022 0.000 0.977 524 E CB 0.258 29.944 29.700 -0.023 0.000 0.973 524 E HN 0.484 nan 8.360 nan 0.000 0.456 525 P HA 0.017 nan 4.420 nan 0.000 0.281 525 P C -0.648 176.633 177.300 -0.031 0.000 1.252 525 P CA -0.302 62.783 63.100 -0.025 0.000 0.778 525 P CB 0.863 32.549 31.700 -0.022 0.000 0.895 529 P HA 0.000 nan 4.420 nan 0.000 0.216 529 P CA 0.000 63.155 63.100 0.092 0.000 0.800 529 P CB 0.000 31.745 31.700 0.075 0.000 0.726