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 1b7e_1_A DATA FIRST_RESID 70 DATA SEQUENCE SAEAIRKAGA MQTVKLAQEF PELLAIEDTT SLSYRXXXXX XXXXXXXXXX DATA SEQUENCE XXXXWWVHSV LLLEATTFRT VGLLHQEWWM RPDDPADADE KESGKWLAAA DATA SEQUENCE ATSRLRMGSM MSNVIAVCDR EADIHAYLQD KLAHNERFVV RSKHPRKDVE DATA SEQUENCE SGLYLYDHLK NQPELGGYQI SIPQKGVXXX XXXXXXRPAR KASLSLRSGR DATA SEQUENCE ITLKQGNITL NAVLAEEINP PKGETPLKWL LLTSEPVESL AQALRVIDIY DATA SEQUENCE THRWRIEEFH KAWKTGAGAE RQRMXXPDNL ERMVSILSFV AVRLLQLRES DATA SEQUENCE FTLPQALRAQ GLLKEAEHVE SQSAETVLTP DECQLLGYLD KGKRKRKEXK DATA SEQUENCE GSLQWAYMAI ARLGGFMDSK RTGIASWGAL WEGWEALQSK LDGFLAAKDL DATA SEQUENCE MAQ 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 70 S HA 0.000 nan 4.470 nan 0.000 0.327 70 S C 0.000 174.607 174.600 0.012 0.000 1.055 70 S CA 0.000 58.204 58.200 0.006 0.000 1.107 70 S CB 0.000 63.202 63.200 0.003 0.000 0.593 71 A N 1.606 124.424 122.820 -0.003 0.000 1.900 71 A HA -0.328 3.992 4.320 -0.001 0.000 0.225 71 A C 1.940 179.543 177.584 0.031 0.000 1.414 71 A CA 3.810 55.843 52.037 -0.007 0.000 0.702 71 A CB -1.778 17.180 19.000 -0.071 0.000 0.845 71 A HN 0.980 nan 8.150 nan 0.000 0.478 72 E N -1.233 118.986 120.200 0.032 0.000 2.028 72 E HA 0.100 4.450 4.350 -0.001 0.000 0.191 72 E C 2.508 179.151 176.600 0.073 0.000 0.988 72 E CA 2.222 58.663 56.400 0.069 0.000 0.799 72 E CB -1.363 28.379 29.700 0.070 0.000 0.755 72 E HN 1.471 nan 8.360 nan 0.000 0.447 73 A N 0.368 123.217 122.820 0.049 0.000 1.958 73 A HA -0.102 4.217 4.320 -0.001 0.000 0.221 73 A C 2.481 180.083 177.584 0.030 0.000 1.178 73 A CA 1.831 53.891 52.037 0.038 0.000 0.642 73 A CB -0.591 18.424 19.000 0.025 0.000 0.816 73 A HN 0.501 nan 8.150 nan 0.000 0.453 74 I N -0.988 119.603 120.570 0.036 0.000 2.076 74 I HA -0.284 3.885 4.170 -0.001 0.000 0.237 74 I C 2.626 178.742 176.117 -0.002 0.000 1.059 74 I CA 1.929 63.240 61.300 0.018 0.000 1.317 74 I CB -0.392 37.650 38.000 0.070 0.000 1.037 74 I HN 0.257 nan 8.210 nan 0.000 0.398 75 R N 0.776 121.341 120.500 0.109 0.000 2.136 75 R HA -0.290 4.049 4.340 -0.001 0.000 0.242 75 R C 2.202 178.561 176.300 0.097 0.000 1.131 75 R CA 2.377 58.596 56.100 0.198 0.000 0.937 75 R CB -0.518 29.941 30.300 0.265 0.000 0.863 75 R HN 0.369 nan 8.270 nan 0.000 0.435 76 K N 0.035 120.488 120.400 0.088 0.000 2.059 76 K HA -0.230 4.089 4.320 -0.001 0.000 0.212 76 K C 2.202 178.808 176.600 0.009 0.000 1.050 76 K CA 1.797 58.125 56.287 0.068 0.000 0.927 76 K CB -0.443 32.094 32.500 0.061 0.000 0.714 76 K HN 0.244 nan 8.250 nan 0.000 0.447 77 A N 1.627 124.427 122.820 -0.034 0.000 1.841 77 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 77 A C 2.591 180.080 177.584 -0.158 0.000 1.199 77 A CA 2.193 54.182 52.037 -0.079 0.000 0.621 77 A CB -1.749 17.199 19.000 -0.088 0.000 0.835 77 A HN 0.448 nan 8.150 nan 0.000 0.445 78 G N -0.536 108.054 108.800 -0.351 0.000 2.553 78 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.218 78 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.218 78 G C 1.840 176.590 174.900 -0.250 0.000 1.195 78 G CA 2.406 47.082 45.100 -0.707 0.000 0.779 78 G HN 1.037 nan 8.290 nan 0.000 0.577 79 A N 0.417 123.224 122.820 -0.022 0.000 1.881 79 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 79 A C 2.485 180.106 177.584 0.062 0.000 1.215 79 A CA 2.890 55.001 52.037 0.124 0.000 0.648 79 A CB -0.528 18.553 19.000 0.135 0.000 0.832 79 A HN 0.307 nan 8.150 nan 0.000 0.455 80 M N -0.794 118.820 119.600 0.023 0.000 2.113 80 M HA -0.237 4.243 4.480 -0.001 0.000 0.255 80 M C 2.284 178.591 176.300 0.011 0.000 1.073 80 M CA 1.785 57.093 55.300 0.015 0.000 1.091 80 M CB -1.647 30.952 32.600 -0.002 0.000 1.309 80 M HN 0.490 nan 8.290 nan 0.000 0.407 81 Q N -0.489 119.303 119.800 -0.013 0.000 2.045 81 Q HA -0.149 4.191 4.340 -0.001 0.000 0.206 81 Q C 2.063 178.085 176.000 0.037 0.000 0.991 81 Q CA 2.307 58.108 55.803 -0.003 0.000 0.851 81 Q CB -0.722 27.992 28.738 -0.040 0.000 0.911 81 Q HN 0.549 nan 8.270 nan 0.000 0.418 82 T N 0.946 115.538 114.554 0.063 0.000 2.699 82 T HA -0.133 4.216 4.350 -0.001 0.000 0.268 82 T C 2.026 176.773 174.700 0.078 0.000 1.036 82 T CA 1.430 63.584 62.100 0.091 0.000 1.147 82 T CB -0.299 68.641 68.868 0.119 0.000 0.862 82 T HN 0.046 nan 8.240 nan 0.000 0.446 83 V N 1.264 121.216 119.914 0.063 0.000 2.244 83 V HA -0.133 3.986 4.120 -0.001 0.000 0.244 83 V C 2.635 178.756 176.094 0.046 0.000 1.042 83 V CA 1.471 63.803 62.300 0.053 0.000 1.006 83 V CB -0.438 31.410 31.823 0.041 0.000 0.641 83 V HN 0.362 nan 8.190 nan 0.000 0.446 84 K N -0.544 119.876 120.400 0.032 0.000 2.160 84 K HA -0.195 4.124 4.320 -0.001 0.000 0.206 84 K C 2.006 178.614 176.600 0.014 0.000 1.047 84 K CA 1.359 57.655 56.287 0.015 0.000 0.930 84 K CB -0.273 32.232 32.500 0.008 0.000 0.720 84 K HN 0.238 nan 8.250 nan 0.000 0.450 85 L N 0.250 121.501 121.223 0.048 0.000 2.217 85 L HA -0.025 4.314 4.340 -0.001 0.000 0.211 85 L C 2.220 179.172 176.870 0.138 0.000 1.107 85 L CA 1.383 56.271 54.840 0.080 0.000 0.783 85 L CB -0.822 41.316 42.059 0.131 0.000 0.919 85 L HN 0.080 nan 8.230 nan 0.000 0.442 86 A N -1.335 121.576 122.820 0.152 0.000 2.014 86 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 86 A C 2.106 179.773 177.584 0.139 0.000 1.163 86 A CA 0.847 53.028 52.037 0.239 0.000 0.652 86 A CB -0.294 18.794 19.000 0.147 0.000 0.808 86 A HN 0.527 nan 8.150 nan 0.000 0.449 87 Q N -0.471 119.338 119.800 0.015 0.000 2.170 87 Q HA -0.110 4.230 4.340 -0.001 0.000 0.203 87 Q C 1.902 177.814 176.000 -0.147 0.000 0.976 87 Q CA 1.574 57.354 55.803 -0.038 0.000 0.858 87 Q CB -0.516 28.195 28.738 -0.046 0.000 0.907 87 Q HN 0.793 nan 8.270 nan 0.000 0.433 88 E N 0.811 120.803 120.200 -0.347 0.000 2.533 88 E HA -0.008 4.342 4.350 -0.001 0.000 0.201 88 E C -0.247 175.820 176.600 -0.888 0.000 1.097 88 E CA 0.550 56.567 56.400 -0.637 0.000 0.887 88 E CB -0.619 28.568 29.700 -0.855 0.000 0.855 88 E HN 0.258 nan 8.360 nan 0.000 0.540 89 F N -1.610 118.332 119.950 -0.014 0.000 2.569 89 F HA 0.444 4.970 4.527 -0.001 0.000 0.312 89 F C -1.847 173.935 175.800 -0.030 0.000 1.109 89 F CA -2.753 55.229 58.000 -0.030 0.000 0.919 89 F CB 2.455 41.432 39.000 -0.038 0.000 1.211 89 F HN -0.257 nan 8.300 nan 0.000 0.446 90 P HA -0.059 nan 4.420 nan 0.000 0.221 90 P C -0.316 177.012 177.300 0.046 0.000 1.150 90 P CA 1.156 64.293 63.100 0.061 0.000 0.800 90 P CB 0.853 32.574 31.700 0.035 0.000 0.787 91 E N -0.605 119.625 120.200 0.049 0.000 2.363 91 E HA 0.490 4.839 4.350 -0.001 0.000 0.281 91 E C -1.652 174.943 176.600 -0.009 0.000 0.953 91 E CA -0.640 55.768 56.400 0.013 0.000 0.778 91 E CB 1.448 31.136 29.700 -0.020 0.000 1.220 91 E HN -0.185 nan 8.360 nan 0.000 0.431 92 L N 1.477 122.699 121.223 -0.002 0.000 2.469 92 L HA 0.539 4.878 4.340 -0.001 0.000 0.256 92 L C -1.439 175.432 176.870 0.003 0.000 1.006 92 L CA -0.907 53.919 54.840 -0.024 0.000 0.832 92 L CB 1.038 43.097 42.059 0.000 0.000 1.421 92 L HN 0.316 nan 8.230 nan 0.000 0.410 93 L N 1.348 122.572 121.223 0.001 0.000 2.329 93 L HA 0.872 5.212 4.340 -0.001 0.000 0.279 93 L C 0.085 176.968 176.870 0.021 0.000 1.014 93 L CA -0.614 54.246 54.840 0.034 0.000 0.814 93 L CB 1.685 43.776 42.059 0.053 0.000 1.257 93 L HN 0.722 nan 8.230 nan 0.000 0.424 94 A N 4.572 127.415 122.820 0.040 0.000 2.412 94 A HA 0.672 4.991 4.320 -0.001 0.000 0.334 94 A C -0.192 177.404 177.584 0.020 0.000 1.419 94 A CA -0.459 51.588 52.037 0.018 0.000 0.930 94 A CB -0.255 nan 19.000 nan 0.000 1.149 94 A HN 0.551 nan 8.150 nan 0.000 0.515 95 I N 2.313 122.860 120.570 -0.038 0.000 2.474 95 I HA 0.344 4.513 4.170 -0.001 0.000 0.287 95 I C 0.476 176.513 176.117 -0.134 0.000 1.048 95 I CA 0.180 61.444 61.300 -0.062 0.000 1.383 95 I CB 0.911 38.853 38.000 -0.097 0.000 1.412 95 I HN 0.846 nan 8.210 nan 0.000 0.531 96 E N 4.890 125.015 120.200 -0.125 0.000 2.366 96 E HA 0.600 4.949 4.350 -0.001 0.000 0.278 96 E C -2.023 174.327 176.600 -0.416 0.000 0.923 96 E CA -0.631 55.594 56.400 -0.292 0.000 0.761 96 E CB 3.030 32.617 29.700 -0.188 0.000 1.231 96 E HN 0.492 nan 8.360 nan 0.000 0.443 97 D N 0.424 120.401 120.400 -0.705 0.000 2.623 97 D HA 0.387 5.026 4.640 -0.001 0.000 0.241 97 D C -1.661 174.235 176.300 -0.673 0.000 1.241 97 D CA -0.198 53.473 54.000 -0.547 0.000 0.788 97 D CB 2.561 43.298 40.800 -0.104 0.000 1.413 97 D HN 0.324 nan 8.370 nan 0.000 0.429 98 T N 0.890 115.313 114.554 -0.219 0.000 2.823 98 T HA 0.742 5.091 4.350 -0.001 0.000 0.279 98 T C -0.795 174.008 174.700 0.172 0.000 0.998 98 T CA -0.229 61.960 62.100 0.148 0.000 0.994 98 T CB 0.895 70.123 68.868 0.600 0.000 0.960 98 T HN 0.343 nan 8.240 nan 0.000 0.448 99 T N 0.917 115.485 114.554 0.023 0.000 2.901 99 T HA 0.502 4.852 4.350 -0.001 0.000 0.293 99 T C -0.258 174.234 174.700 -0.346 0.000 1.084 99 T CA -0.899 61.107 62.100 -0.155 0.000 1.008 99 T CB 1.635 70.222 68.868 -0.467 0.000 1.170 99 T HN 0.404 nan 8.240 nan 0.000 0.509 100 S N 1.572 116.920 115.700 -0.586 0.000 2.592 100 S HA 0.396 4.865 4.470 -0.001 0.000 0.305 100 S C -0.409 173.849 174.600 -0.570 0.000 1.118 100 S CA -0.852 56.762 58.200 -0.976 0.000 1.075 100 S CB -1.100 61.558 63.200 -0.904 0.000 1.107 100 S HN 0.615 nan 8.310 nan 0.000 0.503 101 L N 4.826 125.735 121.223 -0.524 0.000 2.262 101 L HA 0.714 5.053 4.340 -0.001 0.000 0.288 101 L C -0.292 176.286 176.870 -0.487 0.000 1.035 101 L CA 0.289 54.867 54.840 -0.438 0.000 0.820 101 L CB 1.381 43.199 42.059 -0.401 0.000 1.204 101 L HN 0.557 nan 8.230 nan 0.000 0.424 102 S N 2.978 118.357 115.700 -0.536 0.000 2.599 102 S HA 0.642 5.111 4.470 -0.001 0.000 0.294 102 S C -1.016 173.329 174.600 -0.425 0.000 1.094 102 S CA -0.533 57.253 58.200 -0.690 0.000 0.931 102 S CB 0.874 63.383 63.200 -1.153 0.000 1.093 102 S HN 0.585 nan 8.310 nan 0.000 0.488 103 Y N 1.362 121.370 120.300 -0.487 0.000 2.374 103 Y HA 0.870 5.419 4.550 -0.001 0.000 0.322 103 Y C 0.069 175.807 175.900 -0.270 0.000 1.275 103 Y CA -0.903 56.996 58.100 -0.336 0.000 1.307 103 Y CB 0.483 38.770 38.460 -0.288 0.000 1.282 103 Y HN 0.602 nan 8.280 nan 0.000 0.509 125 W N 1.847 123.045 121.300 -0.169 0.000 2.576 125 W HA 0.627 5.286 4.660 -0.001 0.000 0.360 125 W C -0.639 175.443 176.519 -0.729 0.000 1.109 125 W CA -0.801 56.110 57.345 -0.723 0.000 1.237 125 W CB 0.532 29.065 29.460 -1.546 0.000 1.369 125 W HN -0.319 nan 8.180 nan 0.000 0.609 126 V N 0.949 120.622 119.914 -0.402 0.000 2.610 126 V HA 0.169 4.288 4.120 -0.001 0.000 0.298 126 V C -1.341 174.758 176.094 0.008 0.000 1.067 126 V CA -0.918 61.177 62.300 -0.342 0.000 0.894 126 V CB 0.958 32.359 31.823 -0.703 0.000 1.015 126 V HN 0.596 nan 8.190 nan 0.000 0.432 127 H N 2.688 121.864 119.070 0.176 0.000 2.488 127 H HA 0.764 5.319 4.556 -0.001 0.000 0.322 127 H C -0.043 175.248 175.328 -0.063 0.000 1.078 127 H CA 0.115 56.191 56.048 0.046 0.000 1.260 127 H CB 1.443 31.192 29.762 -0.022 0.000 1.425 127 H HN 0.771 nan 8.280 nan 0.000 0.471 128 S N 3.677 119.167 115.700 -0.350 0.000 2.532 128 S HA 0.456 4.925 4.470 -0.001 0.000 0.301 128 S C -0.892 173.504 174.600 -0.341 0.000 1.083 128 S CA -1.011 57.029 58.200 -0.267 0.000 1.025 128 S CB 1.994 65.051 63.200 -0.238 0.000 1.056 128 S HN 0.405 nan 8.310 nan 0.000 0.494 129 V N 3.154 122.942 119.914 -0.210 0.000 2.293 129 V HA 0.401 4.520 4.120 -0.001 0.000 0.275 129 V C -0.614 175.333 176.094 -0.245 0.000 1.021 129 V CA -0.506 61.698 62.300 -0.160 0.000 0.815 129 V CB 0.766 32.588 31.823 -0.001 0.000 1.025 129 V HN 0.779 nan 8.190 nan 0.000 0.448 130 L N 6.056 127.089 121.223 -0.317 0.000 2.325 130 L HA 0.735 5.074 4.340 -0.001 0.000 0.278 130 L C -0.982 175.770 176.870 -0.196 0.000 1.023 130 L CA -0.218 54.406 54.840 -0.360 0.000 0.811 130 L CB 1.611 43.358 42.059 -0.521 0.000 1.249 130 L HN 0.511 nan 8.230 nan 0.000 0.431 131 L N 4.772 125.902 121.223 -0.154 0.000 2.333 131 L HA 0.617 4.957 4.340 -0.001 0.000 0.280 131 L C -0.938 175.884 176.870 -0.080 0.000 1.004 131 L CA -0.132 54.659 54.840 -0.082 0.000 0.820 131 L CB 1.586 43.615 42.059 -0.051 0.000 1.247 131 L HN 0.566 nan 8.230 nan 0.000 0.416 132 L N 2.308 123.495 121.223 -0.059 0.000 0.000 132 L HA 0.784 5.123 4.340 -0.001 0.000 0.000 132 L C 0.489 177.269 176.870 -0.150 0.000 0.000 132 L CA -0.548 54.252 54.840 -0.068 0.000 0.000 132 L CB 0.989 43.070 42.059 0.037 0.000 0.000 132 L HN 0.589 nan 8.230 nan 0.000 0.000 133 E N -0.588 119.472 120.200 -0.233 0.000 2.174 133 E HA 0.599 4.948 4.350 -0.001 0.000 0.282 133 E C 0.431 176.809 176.600 -0.371 0.000 0.992 133 E CA -0.092 56.052 56.400 -0.426 0.000 0.803 133 E CB 1.119 30.395 29.700 -0.706 0.000 1.090 133 E HN 0.762 nan 8.360 nan 0.000 0.396 134 A N 1.873 124.485 122.820 -0.346 0.000 2.255 134 A HA 0.143 4.462 4.320 -0.001 0.000 0.206 134 A C 1.733 178.885 177.584 -0.720 0.000 1.193 134 A CA 1.804 53.587 52.037 -0.424 0.000 0.794 134 A CB -0.292 18.587 19.000 -0.200 0.000 0.794 134 A HN 0.774 nan 8.150 nan 0.000 0.481 135 T N -4.878 109.257 114.554 -0.699 0.000 3.075 135 T HA 0.017 4.367 4.350 -0.001 0.000 0.251 135 T C 1.536 175.860 174.700 -0.627 0.000 0.979 135 T CA 1.037 62.775 62.100 -0.603 0.000 1.033 135 T CB -0.339 68.338 68.868 -0.318 0.000 1.104 135 T HN 0.374 nan 8.240 nan 0.000 0.473 136 T N -0.558 113.696 114.554 -0.499 0.000 3.001 136 T HA 0.320 4.670 4.350 -0.001 0.000 0.251 136 T C 0.485 175.142 174.700 -0.072 0.000 1.040 136 T CA -0.347 61.604 62.100 -0.247 0.000 0.985 136 T CB -0.494 68.281 68.868 -0.155 0.000 1.011 136 T HN 0.170 nan 8.240 nan 0.000 0.509 137 F N 1.221 121.125 119.950 -0.077 0.000 3.057 137 F HA -0.183 4.343 4.527 -0.001 0.000 0.287 137 F C 0.699 176.476 175.800 -0.040 0.000 0.834 137 F CA -0.013 57.969 58.000 -0.029 0.000 1.147 137 F CB -1.762 37.319 39.000 0.135 0.000 1.245 137 F HN 0.341 nan 8.300 nan 0.000 0.509 138 R N 1.146 121.661 120.500 0.025 0.000 2.390 138 R HA 0.356 4.696 4.340 -0.001 0.000 0.291 138 R C 0.041 176.303 176.300 -0.064 0.000 1.070 138 R CA 0.015 56.109 56.100 -0.010 0.000 1.014 138 R CB 0.933 31.207 30.300 -0.043 0.000 1.007 138 R HN 0.077 nan 8.270 nan 0.000 0.466 139 T N 3.150 117.687 114.554 -0.028 0.000 2.928 139 T HA 0.057 4.406 4.350 -0.001 0.000 0.305 139 T C 1.246 175.908 174.700 -0.064 0.000 1.035 139 T CA -0.335 61.735 62.100 -0.050 0.000 1.145 139 T CB 1.045 69.892 68.868 -0.036 0.000 0.963 139 T HN 0.508 nan 8.240 nan 0.000 0.545 140 V N 2.080 121.950 119.914 -0.072 0.000 2.690 140 V HA 0.507 4.626 4.120 -0.001 0.000 0.240 140 V C 1.145 177.255 176.094 0.027 0.000 1.078 140 V CA 0.871 63.158 62.300 -0.021 0.000 1.102 140 V CB -0.301 31.500 31.823 -0.037 0.000 0.800 140 V HN 1.101 nan 8.190 nan 0.000 0.479 141 G N -0.222 108.573 108.800 -0.009 0.000 2.361 141 G HA2 0.388 4.347 3.960 -0.001 0.000 0.299 141 G HA3 0.388 4.347 3.960 -0.001 0.000 0.299 141 G C -2.035 172.830 174.900 -0.058 0.000 1.544 141 G CA -0.643 44.463 45.100 0.010 0.000 0.860 141 G HN 0.129 nan 8.290 nan 0.000 0.610 142 L N 1.135 122.305 121.223 -0.088 0.000 2.361 142 L HA 0.566 4.906 4.340 -0.001 0.000 0.278 142 L C 1.273 178.129 176.870 -0.024 0.000 1.113 142 L CA -0.367 54.324 54.840 -0.248 0.000 0.849 142 L CB 1.168 42.890 42.059 -0.562 0.000 1.155 142 L HN 0.659 nan 8.230 nan 0.000 0.452 143 L N 4.537 125.732 121.223 -0.048 0.000 2.249 143 L HA 0.278 4.617 4.340 -0.001 0.000 0.207 143 L C -0.148 176.827 176.870 0.176 0.000 1.090 143 L CA 0.769 55.651 54.840 0.070 0.000 0.802 143 L CB -0.165 41.921 42.059 0.045 0.000 0.947 143 L HN 0.897 nan 8.230 nan 0.000 0.453 144 H N -1.271 117.779 119.070 -0.034 0.000 3.060 144 H HA 0.453 5.008 4.556 -0.001 0.000 0.330 144 H C -1.526 173.792 175.328 -0.016 0.000 1.305 144 H CA -0.640 55.426 56.048 0.030 0.000 1.209 144 H CB 0.877 30.666 29.762 0.044 0.000 1.913 144 H HN 0.075 nan 8.280 nan 0.000 0.534 145 Q N 2.290 121.827 119.800 -0.438 0.000 2.290 145 Q HA 0.257 4.596 4.340 -0.001 0.000 0.269 145 Q C -1.406 174.479 176.000 -0.191 0.000 1.016 145 Q CA -0.911 54.744 55.803 -0.246 0.000 0.754 145 Q CB 1.832 30.520 28.738 -0.083 0.000 1.247 145 Q HN 0.487 nan 8.270 nan 0.000 0.451 146 E N 2.858 123.062 120.200 0.006 0.000 2.046 146 E HA 0.236 4.585 4.350 -0.001 0.000 0.279 146 E C -1.765 175.133 176.600 0.497 0.000 0.989 146 E CA -0.123 56.446 56.400 0.282 0.000 0.798 146 E CB 0.489 30.369 29.700 0.299 0.000 1.086 146 E HN 0.344 nan 8.360 nan 0.000 0.399 147 W N 5.705 127.295 121.300 0.483 0.000 2.469 147 W HA 0.581 5.241 4.660 -0.001 0.000 0.320 147 W C -0.812 176.119 176.519 0.686 0.000 1.086 147 W CA -0.310 57.328 57.345 0.489 0.000 1.211 147 W CB 0.851 30.478 29.460 0.279 0.000 1.298 147 W HN 0.512 nan 8.180 nan 0.000 0.525 148 W N 3.956 125.550 121.300 0.491 0.000 3.499 148 W HA 0.500 5.159 4.660 -0.001 0.000 0.288 148 W C -1.252 175.549 176.519 0.470 0.000 1.258 148 W CA -1.661 55.907 57.345 0.372 0.000 1.203 148 W CB 0.013 29.608 29.460 0.226 0.000 1.325 148 W HN 0.470 nan 8.180 nan 0.000 0.564 149 M N 2.028 121.877 119.600 0.414 0.000 2.219 149 M HA 0.633 5.112 4.480 -0.001 0.000 0.280 149 M C 0.498 176.874 176.300 0.126 0.000 1.189 149 M CA -0.753 54.783 55.300 0.394 0.000 1.010 149 M CB 0.445 33.298 32.600 0.422 0.000 1.422 149 M HN 0.524 nan 8.290 nan 0.000 0.504 150 R N 1.675 122.117 120.500 -0.098 0.000 2.421 150 R HA 0.331 4.670 4.340 -0.001 0.000 0.305 150 R C -2.573 173.675 176.300 -0.086 0.000 1.039 150 R CA -2.048 53.865 56.100 -0.312 0.000 1.003 150 R CB -0.457 29.523 30.300 -0.533 0.000 0.959 150 R HN 0.410 nan 8.270 nan 0.000 0.427 151 P HA -0.017 nan 4.420 nan 0.000 0.258 151 P C -0.190 177.095 177.300 -0.025 0.000 1.214 151 P CA 0.149 63.237 63.100 -0.020 0.000 0.872 151 P CB 0.409 32.085 31.700 -0.040 0.000 0.890 152 D N 1.551 121.959 120.400 0.012 0.000 2.355 152 D HA -0.212 4.427 4.640 -0.001 0.000 0.192 152 D C 0.625 176.930 176.300 0.009 0.000 1.014 152 D CA 1.450 55.464 54.000 0.023 0.000 0.862 152 D CB -0.442 40.381 40.800 0.039 0.000 0.986 152 D HN 0.427 nan 8.370 nan 0.000 0.456 153 D N 0.641 121.044 120.400 0.005 0.000 2.390 153 D HA -0.031 4.608 4.640 -0.001 0.000 0.236 153 D C -1.388 174.904 176.300 -0.013 0.000 1.189 153 D CA -1.037 52.962 54.000 -0.001 0.000 0.887 153 D CB 1.644 42.443 40.800 -0.003 0.000 1.198 153 D HN -0.091 nan 8.370 nan 0.000 0.444 154 P HA -0.100 nan 4.420 nan 0.000 0.199 154 P C -0.070 177.209 177.300 -0.035 0.000 1.118 154 P CA 1.069 64.157 63.100 -0.020 0.000 0.913 154 P CB -0.190 31.503 31.700 -0.012 0.000 0.738 155 A N -0.309 122.493 122.820 -0.030 0.000 2.958 155 A HA 0.061 4.380 4.320 -0.001 0.000 0.247 155 A C 0.666 178.226 177.584 -0.040 0.000 1.679 155 A CA 0.429 52.443 52.037 -0.038 0.000 1.345 155 A CB -1.556 17.427 19.000 -0.028 0.000 1.013 155 A HN 0.067 nan 8.150 nan 0.000 0.641 156 D N -0.533 119.839 120.400 -0.047 0.000 2.503 156 D HA 0.308 4.947 4.640 -0.001 0.000 0.218 156 D C 1.661 177.928 176.300 -0.056 0.000 1.183 156 D CA 0.803 54.778 54.000 -0.042 0.000 0.827 156 D CB 0.766 41.550 40.800 -0.027 0.000 1.034 156 D HN 0.418 nan 8.370 nan 0.000 0.510 157 A N 0.313 123.081 122.820 -0.086 0.000 1.874 157 A HA -0.122 4.197 4.320 -0.001 0.000 0.214 157 A C 1.838 179.362 177.584 -0.099 0.000 1.189 157 A CA 1.189 53.150 52.037 -0.126 0.000 0.615 157 A CB -0.246 18.609 19.000 -0.243 0.000 0.830 157 A HN -0.020 nan 8.150 nan 0.000 0.443 158 D N -0.530 119.814 120.400 -0.092 0.000 2.271 158 D HA -0.176 4.463 4.640 -0.001 0.000 0.207 158 D C 1.934 178.192 176.300 -0.069 0.000 0.983 158 D CA 1.595 55.553 54.000 -0.071 0.000 0.878 158 D CB 0.038 40.804 40.800 -0.058 0.000 0.920 158 D HN 0.821 nan 8.370 nan 0.000 0.479 159 E N 0.060 120.219 120.200 -0.068 0.000 2.099 159 E HA -0.064 4.285 4.350 -0.001 0.000 0.191 159 E C 1.921 178.466 176.600 -0.093 0.000 0.962 159 E CA 0.418 56.774 56.400 -0.074 0.000 0.826 159 E CB -0.162 29.504 29.700 -0.057 0.000 0.788 159 E HN 0.005 nan 8.360 nan 0.000 0.461 160 K N 0.749 121.101 120.400 -0.080 0.000 2.103 160 K HA -0.231 4.089 4.320 -0.001 0.000 0.207 160 K C 2.256 178.705 176.600 -0.251 0.000 1.048 160 K CA 1.744 57.964 56.287 -0.112 0.000 0.930 160 K CB -0.027 32.465 32.500 -0.013 0.000 0.716 160 K HN 0.240 nan 8.250 nan 0.000 0.444 161 E N -0.076 120.053 120.200 -0.118 0.000 2.028 161 E HA -0.098 4.252 4.350 -0.001 0.000 0.190 161 E C 1.676 178.233 176.600 -0.073 0.000 0.984 161 E CA 0.975 57.333 56.400 -0.071 0.000 0.800 161 E CB -0.040 29.771 29.700 0.185 0.000 0.758 161 E HN 0.191 nan 8.360 nan 0.000 0.448 162 S N -0.588 115.059 115.700 -0.088 0.000 2.571 162 S HA -0.092 4.377 4.470 -0.001 0.000 0.245 162 S C 1.266 175.771 174.600 -0.158 0.000 0.976 162 S CA 0.849 58.946 58.200 -0.172 0.000 0.954 162 S CB -0.095 62.999 63.200 -0.177 0.000 0.756 162 S HN 0.447 nan 8.310 nan 0.000 0.535 163 G N -0.423 108.281 108.800 -0.160 0.000 3.104 163 G HA2 0.101 4.060 3.960 -0.001 0.000 0.237 163 G HA3 0.101 4.060 3.960 -0.001 0.000 0.237 163 G C 1.317 176.099 174.900 -0.197 0.000 1.035 163 G CA -0.221 44.786 45.100 -0.154 0.000 0.844 163 G HN 0.181 nan 8.290 nan 0.000 0.531 164 K N 0.566 120.765 120.400 -0.335 0.000 2.103 164 K HA 0.006 4.325 4.320 -0.001 0.000 0.204 164 K C 1.909 178.318 176.600 -0.319 0.000 1.052 164 K CA 0.384 56.362 56.287 -0.514 0.000 0.945 164 K CB -0.269 31.475 32.500 -1.260 0.000 0.722 164 K HN 0.402 nan 8.250 nan 0.000 0.443 165 W N 1.897 122.873 121.300 -0.541 0.000 2.329 165 W HA -0.108 4.551 4.660 -0.001 0.000 0.324 165 W C 2.163 178.517 176.519 -0.276 0.000 1.222 165 W CA 0.880 57.896 57.345 -0.549 0.000 1.270 165 W CB -1.148 28.082 29.460 -0.384 0.000 1.167 165 W HN -0.041 nan 8.180 nan 0.000 0.467 166 L N 0.034 121.283 121.223 0.044 0.000 2.011 166 L HA -0.387 3.952 4.340 -0.001 0.000 0.225 166 L C 2.604 179.424 176.870 -0.084 0.000 1.084 166 L CA 1.992 56.804 54.840 -0.047 0.000 0.791 166 L CB -1.646 40.366 42.059 -0.078 0.000 0.898 166 L HN 0.102 nan 8.230 nan 0.000 0.440 167 A N -0.318 122.452 122.820 -0.084 0.000 1.903 167 A HA -0.306 4.013 4.320 -0.001 0.000 0.219 167 A C 2.482 180.013 177.584 -0.089 0.000 1.191 167 A CA 2.523 54.518 52.037 -0.070 0.000 0.638 167 A CB -0.911 18.056 19.000 -0.055 0.000 0.823 167 A HN 0.515 nan 8.150 nan 0.000 0.451 168 A N -0.431 122.345 122.820 -0.074 0.000 1.845 168 A HA 0.166 4.485 4.320 -0.001 0.000 0.215 168 A C 2.594 180.030 177.584 -0.247 0.000 1.195 168 A CA 2.440 54.382 52.037 -0.157 0.000 0.616 168 A CB -1.323 17.751 19.000 0.123 0.000 0.832 168 A HN 1.292 nan 8.150 nan 0.000 0.443 169 A N -0.026 122.722 122.820 -0.121 0.000 1.903 169 A HA -0.024 4.295 4.320 -0.001 0.000 0.219 169 A C 2.524 179.977 177.584 -0.219 0.000 1.191 169 A CA 2.796 54.745 52.037 -0.147 0.000 0.638 169 A CB -1.219 17.680 19.000 -0.169 0.000 0.823 169 A HN 1.265 nan 8.150 nan 0.000 0.451 170 A N -1.855 120.838 122.820 -0.212 0.000 1.978 170 A HA -0.076 4.243 4.320 -0.001 0.000 0.220 170 A C 2.186 179.660 177.584 -0.182 0.000 1.170 170 A CA 2.275 54.191 52.037 -0.202 0.000 0.636 170 A CB -0.875 18.039 19.000 -0.143 0.000 0.810 170 A HN 0.448 nan 8.150 nan 0.000 0.448 171 T N -0.889 113.520 114.554 -0.242 0.000 3.044 171 T HA 0.076 4.425 4.350 -0.001 0.000 0.250 171 T C 2.018 176.555 174.700 -0.272 0.000 1.081 171 T CA 0.887 62.831 62.100 -0.260 0.000 1.040 171 T CB 0.066 68.763 68.868 -0.284 0.000 0.962 171 T HN 0.489 nan 8.240 nan 0.000 0.506 172 S N 2.339 117.872 115.700 -0.278 0.000 2.336 172 S HA -0.081 4.388 4.470 -0.001 0.000 0.216 172 S C 2.222 176.764 174.600 -0.096 0.000 1.032 172 S CA 0.711 58.815 58.200 -0.161 0.000 0.973 172 S CB -0.221 62.907 63.200 -0.119 0.000 0.888 172 S HN 0.628 nan 8.310 nan 0.000 0.455 173 R N 1.860 122.290 120.500 -0.117 0.000 2.103 173 R HA -0.048 4.291 4.340 -0.001 0.000 0.242 173 R C 2.339 178.607 176.300 -0.054 0.000 1.142 173 R CA 1.477 57.526 56.100 -0.085 0.000 0.960 173 R CB -1.043 29.184 30.300 -0.122 0.000 0.858 173 R HN 0.391 nan 8.270 nan 0.000 0.439 174 L N 0.716 121.898 121.223 -0.067 0.000 1.990 174 L HA -0.208 4.131 4.340 -0.001 0.000 0.213 174 L C 2.722 179.583 176.870 -0.015 0.000 1.072 174 L CA 1.764 56.584 54.840 -0.035 0.000 0.755 174 L CB -0.161 41.877 42.059 -0.036 0.000 0.889 174 L HN 0.178 nan 8.230 nan 0.000 0.432 175 R N -1.158 119.333 120.500 -0.016 0.000 2.061 175 R HA -0.126 4.213 4.340 -0.001 0.000 0.230 175 R C 2.302 178.609 176.300 0.012 0.000 1.140 175 R CA 1.826 57.932 56.100 0.011 0.000 0.940 175 R CB -0.383 29.939 30.300 0.037 0.000 0.839 175 R HN 0.264 nan 8.270 nan 0.000 0.429 176 M N -0.338 119.266 119.600 0.006 0.000 2.080 176 M HA -0.024 4.456 4.480 -0.001 0.000 0.260 176 M C 1.497 177.804 176.300 0.012 0.000 1.068 176 M CA 1.978 57.285 55.300 0.012 0.000 1.109 176 M CB -1.282 31.324 32.600 0.009 0.000 1.342 176 M HN 0.484 nan 8.290 nan 0.000 0.405 177 G N -0.153 108.650 108.800 0.005 0.000 2.498 177 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.251 177 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.251 177 G C 0.658 175.567 174.900 0.015 0.000 1.170 177 G CA 0.925 46.031 45.100 0.010 0.000 0.944 177 G HN 0.461 nan 8.290 nan 0.000 0.567 178 S N -0.242 115.468 115.700 0.016 0.000 2.469 178 S HA -0.057 4.412 4.470 -0.001 0.000 0.238 178 S C 2.422 177.034 174.600 0.020 0.000 0.998 178 S CA 2.132 60.343 58.200 0.018 0.000 0.957 178 S CB -0.343 62.865 63.200 0.013 0.000 0.764 178 S HN 0.498 nan 8.310 nan 0.000 0.514 179 M N 0.504 120.116 119.600 0.020 0.000 2.279 179 M HA 0.014 4.493 4.480 -0.001 0.000 0.264 179 M C 1.829 178.146 176.300 0.029 0.000 1.062 179 M CA 0.904 56.220 55.300 0.026 0.000 1.099 179 M CB -1.004 31.615 32.600 0.031 0.000 1.394 179 M HN 0.367 nan 8.290 nan 0.000 0.426 180 M N 0.432 120.047 119.600 0.025 0.000 2.164 180 M HA -0.247 4.233 4.480 -0.001 0.000 0.251 180 M C 2.186 178.508 176.300 0.037 0.000 1.087 180 M CA 2.176 57.492 55.300 0.026 0.000 1.071 180 M CB -1.723 30.889 32.600 0.021 0.000 1.347 180 M HN 0.361 nan 8.290 nan 0.000 0.399 181 S N -0.215 115.506 115.700 0.035 0.000 2.419 181 S HA -0.072 4.397 4.470 -0.001 0.000 0.233 181 S C 1.240 175.861 174.600 0.034 0.000 1.016 181 S CA 1.131 59.353 58.200 0.036 0.000 0.974 181 S CB -0.557 62.659 63.200 0.028 0.000 0.786 181 S HN 0.504 nan 8.310 nan 0.000 0.492 182 N N 1.026 119.746 118.700 0.034 0.000 2.314 182 N HA 0.246 4.986 4.740 -0.001 0.000 0.200 182 N C -0.714 174.818 175.510 0.037 0.000 1.135 182 N CA 0.082 53.152 53.050 0.033 0.000 0.835 182 N CB 0.524 39.034 38.487 0.038 0.000 0.989 182 N HN 0.247 nan 8.380 nan 0.000 0.478 183 V N 1.747 121.688 119.914 0.045 0.000 2.487 183 V HA 0.404 4.523 4.120 -0.001 0.000 0.298 183 V C -0.162 175.979 176.094 0.079 0.000 1.028 183 V CA -0.752 61.580 62.300 0.053 0.000 0.860 183 V CB 2.274 34.126 31.823 0.048 0.000 0.991 183 V HN 0.018 nan 8.190 nan 0.000 0.427 184 I N 4.658 125.279 120.570 0.085 0.000 2.361 184 I HA 0.445 4.614 4.170 -0.001 0.000 0.282 184 I C 0.820 177.040 176.117 0.172 0.000 1.075 184 I CA -0.508 60.868 61.300 0.127 0.000 1.205 184 I CB 1.259 39.316 38.000 0.095 0.000 1.406 184 I HN 0.650 nan 8.210 nan 0.000 0.481 185 A N 6.745 129.705 122.820 0.233 0.000 2.537 185 A HA 0.346 4.665 4.320 -0.001 0.000 0.260 185 A C 0.098 177.875 177.584 0.321 0.000 1.082 185 A CA 0.096 52.289 52.037 0.261 0.000 0.765 185 A CB -0.104 19.074 19.000 0.297 0.000 1.019 185 A HN 0.512 nan 8.150 nan 0.000 0.507 186 V N 3.152 123.210 119.914 0.239 0.000 2.483 186 V HA 0.626 4.745 4.120 -0.001 0.000 0.295 186 V C 0.476 176.702 176.094 0.220 0.000 1.035 186 V CA 0.139 62.584 62.300 0.242 0.000 0.896 186 V CB 0.454 32.383 31.823 0.177 0.000 0.986 186 V HN 1.631 nan 8.190 nan 0.000 0.447 187 C N 2.519 121.969 119.300 0.250 0.000 3.209 187 C HA 0.582 5.041 4.460 -0.001 0.000 0.353 187 C C -2.281 172.824 174.990 0.192 0.000 1.436 187 C CA -0.693 58.449 59.018 0.207 0.000 1.186 187 C CB 1.366 29.250 27.740 0.240 0.000 1.550 187 C HN 0.717 nan 8.230 nan 0.000 0.435 188 D N 1.166 121.659 120.400 0.155 0.000 2.696 188 D HA 0.536 5.175 4.640 -0.001 0.000 0.251 188 D C -0.955 175.340 176.300 -0.007 0.000 1.188 188 D CA -0.151 53.894 54.000 0.074 0.000 0.876 188 D CB 1.637 42.505 40.800 0.113 0.000 1.334 188 D HN 0.476 nan 8.370 nan 0.000 0.540 189 R N 2.393 122.788 120.500 -0.175 0.000 2.288 189 R HA 0.213 4.552 4.340 -0.001 0.000 0.326 189 R C 0.745 176.894 176.300 -0.251 0.000 0.959 189 R CA -0.343 55.569 56.100 -0.314 0.000 0.834 189 R CB 1.341 31.321 30.300 -0.532 0.000 1.157 189 R HN 0.470 nan 8.270 nan 0.000 0.470 190 E N 0.836 120.964 120.200 -0.121 0.000 2.299 190 E HA 0.096 4.446 4.350 -0.001 0.000 0.193 190 E C 0.319 176.974 176.600 0.093 0.000 0.998 190 E CA 0.406 56.852 56.400 0.076 0.000 0.851 190 E CB 0.567 30.400 29.700 0.222 0.000 0.795 190 E HN 0.524 nan 8.360 nan 0.000 0.492 191 A N 0.649 123.407 122.820 -0.102 0.000 2.593 191 A HA 0.363 4.682 4.320 -0.001 0.000 0.290 191 A C -0.823 176.639 177.584 -0.202 0.000 1.126 191 A CA -0.544 51.433 52.037 -0.099 0.000 0.695 191 A CB 0.970 19.947 19.000 -0.039 0.000 1.290 191 A HN 0.026 nan 8.150 nan 0.000 0.414 192 D N -0.187 120.136 120.400 -0.127 0.000 2.782 192 D HA -0.209 4.430 4.640 -0.001 0.000 0.231 192 D C 1.163 177.396 176.300 -0.111 0.000 1.163 192 D CA 1.279 55.213 54.000 -0.110 0.000 0.680 192 D CB -1.022 39.691 40.800 -0.145 0.000 1.062 192 D HN 0.526 nan 8.370 nan 0.000 0.425 193 I N -0.125 120.378 120.570 -0.113 0.000 2.074 193 I HA -0.369 3.801 4.170 -0.001 0.000 0.238 193 I C 2.575 178.710 176.117 0.030 0.000 1.037 193 I CA 2.126 63.369 61.300 -0.095 0.000 1.301 193 I CB -0.704 37.230 38.000 -0.111 0.000 1.016 193 I HN 0.378 nan 8.210 nan 0.000 0.400 194 H N 0.885 119.914 119.070 -0.067 0.000 2.278 194 H HA -0.385 4.170 4.556 -0.001 0.000 0.287 194 H C 2.237 177.539 175.328 -0.044 0.000 1.107 194 H CA 1.822 57.841 56.048 -0.047 0.000 1.192 194 H CB 0.018 29.748 29.762 -0.053 0.000 1.346 194 H HN 0.450 nan 8.280 nan 0.000 0.478 195 A N 0.565 123.288 122.820 -0.160 0.000 1.842 195 A HA -0.302 4.017 4.320 -0.001 0.000 0.217 195 A C 2.296 179.777 177.584 -0.171 0.000 1.206 195 A CA 1.875 53.754 52.037 -0.263 0.000 0.630 195 A CB -1.736 17.156 19.000 -0.180 0.000 0.839 195 A HN 0.708 nan 8.150 nan 0.000 0.447 196 Y N 0.574 120.726 120.300 -0.247 0.000 2.062 196 Y HA -0.318 4.231 4.550 -0.001 0.000 0.273 196 Y C 2.161 177.893 175.900 -0.281 0.000 1.206 196 Y CA 2.332 60.281 58.100 -0.252 0.000 1.125 196 Y CB -0.544 37.751 38.460 -0.276 0.000 0.951 196 Y HN 0.274 nan 8.280 nan 0.000 0.501 197 L N -0.684 120.480 121.223 -0.098 0.000 1.976 197 L HA -0.287 4.052 4.340 -0.001 0.000 0.209 197 L C 2.595 179.366 176.870 -0.166 0.000 1.071 197 L CA 1.924 56.653 54.840 -0.184 0.000 0.746 197 L CB -0.908 41.154 42.059 0.006 0.000 0.890 197 L HN 0.200 nan 8.230 nan 0.000 0.432 198 Q N -0.110 119.611 119.800 -0.132 0.000 2.152 198 Q HA -0.288 4.051 4.340 -0.001 0.000 0.206 198 Q C 1.804 177.733 176.000 -0.118 0.000 0.985 198 Q CA 2.224 57.954 55.803 -0.123 0.000 0.863 198 Q CB -0.053 28.582 28.738 -0.171 0.000 0.904 198 Q HN 0.419 nan 8.270 nan 0.000 0.422 199 D N -0.320 119.975 120.400 -0.175 0.000 2.078 199 D HA -0.169 4.470 4.640 -0.001 0.000 0.193 199 D C 1.587 177.824 176.300 -0.104 0.000 0.990 199 D CA 1.324 55.242 54.000 -0.137 0.000 0.827 199 D CB 0.148 40.821 40.800 -0.212 0.000 0.975 199 D HN 0.048 nan 8.370 nan 0.000 0.451 200 K N 0.124 120.326 120.400 -0.331 0.000 2.044 200 K HA -0.149 4.170 4.320 -0.001 0.000 0.210 200 K C 2.423 178.995 176.600 -0.047 0.000 1.049 200 K CA 0.726 56.825 56.287 -0.313 0.000 0.927 200 K CB -0.591 31.468 32.500 -0.735 0.000 0.713 200 K HN 0.319 nan 8.250 nan 0.000 0.443 201 L N 0.654 121.856 121.223 -0.035 0.000 1.971 201 L HA -0.243 4.096 4.340 -0.001 0.000 0.215 201 L C 2.715 179.594 176.870 0.015 0.000 1.072 201 L CA 1.535 56.401 54.840 0.045 0.000 0.758 201 L CB -0.875 41.206 42.059 0.036 0.000 0.889 201 L HN 0.203 nan 8.230 nan 0.000 0.433 202 A N -0.470 122.333 122.820 -0.028 0.000 1.958 202 A HA -0.280 4.039 4.320 -0.001 0.000 0.221 202 A C 1.859 179.290 177.584 -0.255 0.000 1.178 202 A CA 2.212 54.164 52.037 -0.141 0.000 0.642 202 A CB -0.951 17.934 19.000 -0.190 0.000 0.816 202 A HN 0.569 nan 8.150 nan 0.000 0.453 203 H N -1.736 117.304 119.070 -0.049 0.000 2.548 203 H HA 0.171 4.727 4.556 -0.001 0.000 0.265 203 H C 0.196 175.517 175.328 -0.012 0.000 0.969 203 H CA 0.452 56.477 56.048 -0.038 0.000 1.155 203 H CB -0.118 29.609 29.762 -0.060 0.000 1.394 203 H HN 0.645 nan 8.280 nan 0.000 0.570 204 N N 1.086 119.837 118.700 0.085 0.000 2.756 204 N HA -0.182 4.558 4.740 -0.001 0.000 0.248 204 N C -1.151 174.425 175.510 0.111 0.000 1.062 204 N CA 0.382 53.483 53.050 0.085 0.000 0.696 204 N CB -0.787 37.726 38.487 0.044 0.000 0.946 204 N HN 0.527 nan 8.380 nan 0.000 0.548 205 E N 0.223 120.509 120.200 0.143 0.000 2.266 205 E HA 0.376 4.725 4.350 -0.001 0.000 0.277 205 E C 0.116 176.883 176.600 0.278 0.000 1.018 205 E CA -0.672 55.817 56.400 0.148 0.000 0.840 205 E CB 0.895 30.633 29.700 0.063 0.000 1.082 205 E HN 0.244 nan 8.360 nan 0.000 0.395 206 R N 2.118 122.746 120.500 0.215 0.000 2.528 206 R HA 0.675 5.014 4.340 -0.001 0.000 0.271 206 R C -0.417 176.113 176.300 0.383 0.000 1.056 206 R CA -0.511 55.714 56.100 0.207 0.000 1.117 206 R CB 0.413 30.747 30.300 0.056 0.000 1.085 206 R HN 0.522 nan 8.270 nan 0.000 0.530 207 F N -3.362 116.630 119.950 0.069 0.000 3.031 207 F HA 0.609 5.135 4.527 -0.001 0.000 0.326 207 F C -2.000 173.863 175.800 0.105 0.000 1.143 207 F CA -1.354 56.711 58.000 0.108 0.000 0.871 207 F CB 0.916 40.009 39.000 0.154 0.000 1.377 207 F HN 0.202 nan 8.300 nan 0.000 0.462 208 V N 1.692 121.836 119.914 0.384 0.000 2.697 208 V HA 0.662 4.781 4.120 -0.001 0.000 0.300 208 V C -1.483 174.803 176.094 0.321 0.000 1.115 208 V CA -0.641 61.797 62.300 0.230 0.000 0.912 208 V CB 1.575 33.495 31.823 0.161 0.000 1.024 208 V HN 0.859 nan 8.190 nan 0.000 0.431 209 V N 4.964 125.024 119.914 0.242 0.000 2.638 209 V HA 0.567 4.687 4.120 -0.001 0.000 0.306 209 V C -0.067 175.982 176.094 -0.074 0.000 1.052 209 V CA -0.750 61.620 62.300 0.116 0.000 0.885 209 V CB 2.254 34.164 31.823 0.144 0.000 0.999 209 V HN 0.920 nan 8.190 nan 0.000 0.424 210 R N 3.139 123.527 120.500 -0.185 0.000 2.297 210 R HA 0.523 4.863 4.340 -0.001 0.000 0.308 210 R C -0.011 176.193 176.300 -0.160 0.000 1.029 210 R CA -0.111 55.809 56.100 -0.300 0.000 0.929 210 R CB 1.374 31.297 30.300 -0.629 0.000 1.046 210 R HN 0.701 nan 8.270 nan 0.000 0.461 211 S N 3.782 119.406 115.700 -0.127 0.000 2.409 211 S HA 0.110 4.579 4.470 -0.001 0.000 0.308 211 S C 0.806 175.324 174.600 -0.137 0.000 1.080 211 S CA -0.553 57.560 58.200 -0.144 0.000 1.081 211 S CB 0.831 63.975 63.200 -0.094 0.000 1.009 211 S HN 0.859 nan 8.310 nan 0.000 0.502 212 K N 2.606 122.883 120.400 -0.205 0.000 2.286 212 K HA -0.088 4.231 4.320 -0.001 0.000 0.203 212 K C 0.667 177.369 176.600 0.171 0.000 1.045 212 K CA 1.444 57.710 56.287 -0.035 0.000 0.935 212 K CB -0.019 32.557 32.500 0.126 0.000 0.737 212 K HN 0.781 nan 8.250 nan 0.000 0.460 213 H N -1.910 117.177 119.070 0.029 0.000 3.436 213 H HA 0.399 4.954 4.556 -0.001 0.000 0.312 213 H C -2.476 172.894 175.328 0.069 0.000 1.675 213 H CA -2.425 53.649 56.048 0.045 0.000 1.361 213 H CB -0.748 29.035 29.762 0.035 0.000 1.731 213 H HN -0.192 nan 8.280 nan 0.000 0.732 214 P HA 0.468 nan 4.420 nan 0.000 0.303 214 P C -0.050 177.310 177.300 0.099 0.000 1.370 214 P CA -0.303 62.936 63.100 0.231 0.000 0.854 214 P CB 1.222 33.168 31.700 0.409 0.000 0.946 215 R N 1.148 121.626 120.500 -0.037 0.000 2.893 215 R HA 0.968 5.308 4.340 -0.001 0.000 0.223 215 R C -0.106 175.964 176.300 -0.383 0.000 1.433 215 R CA -0.155 55.854 56.100 -0.153 0.000 1.063 215 R CB -0.248 29.990 30.300 -0.102 0.000 1.758 215 R HN 0.608 nan 8.270 nan 0.000 0.524 216 K N 0.776 120.979 120.400 -0.329 0.000 2.464 216 K HA 0.558 4.877 4.320 -0.001 0.000 0.253 216 K C -1.513 174.953 176.600 -0.224 0.000 0.933 216 K CA -0.321 55.720 56.287 -0.410 0.000 0.801 216 K CB 1.817 34.050 32.500 -0.446 0.000 1.271 216 K HN 0.822 nan 8.250 nan 0.000 0.430 217 D N 1.853 122.139 120.400 -0.189 0.000 2.352 217 D HA 0.197 4.837 4.640 -0.001 0.000 0.245 217 D C 0.734 176.955 176.300 -0.132 0.000 1.224 217 D CA -0.152 53.759 54.000 -0.149 0.000 0.879 217 D CB 1.089 41.785 40.800 -0.173 0.000 1.057 217 D HN 0.205 nan 8.370 nan 0.000 0.491 218 V N 3.603 123.447 119.914 -0.116 0.000 3.444 218 V HA -0.092 4.027 4.120 -0.001 0.000 0.271 218 V C 1.756 177.802 176.094 -0.081 0.000 1.188 218 V CA 1.480 63.725 62.300 -0.091 0.000 1.168 218 V CB -0.772 31.002 31.823 -0.083 0.000 0.810 218 V HN 0.641 nan 8.190 nan 0.000 0.500 219 E N -1.250 118.887 120.200 -0.105 0.000 2.490 219 E HA 0.064 4.413 4.350 -0.001 0.000 0.209 219 E C 1.767 178.302 176.600 -0.109 0.000 0.971 219 E CA 0.848 57.191 56.400 -0.096 0.000 0.988 219 E CB 0.345 29.995 29.700 -0.082 0.000 1.029 219 E HN 0.224 nan 8.360 nan 0.000 0.496 220 S N -0.841 114.773 115.700 -0.144 0.000 2.549 220 S HA 0.314 4.783 4.470 -0.001 0.000 0.225 220 S C 1.500 176.083 174.600 -0.029 0.000 1.039 220 S CA 0.416 58.548 58.200 -0.113 0.000 0.942 220 S CB 0.064 63.109 63.200 -0.259 0.000 0.881 220 S HN 0.615 nan 8.310 nan 0.000 0.503 221 G N 1.502 110.277 108.800 -0.042 0.000 2.200 221 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.267 221 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.267 221 G C -0.049 174.877 174.900 0.044 0.000 0.993 221 G CA 0.826 45.922 45.100 -0.007 0.000 0.701 221 G HN 0.521 nan 8.290 nan 0.000 0.524 222 L N -0.526 120.727 121.223 0.049 0.000 2.334 222 L HA 0.586 4.925 4.340 -0.001 0.000 0.276 222 L C 0.716 177.679 176.870 0.155 0.000 1.014 222 L CA -1.459 53.474 54.840 0.155 0.000 0.815 222 L CB 1.012 43.176 42.059 0.176 0.000 1.268 222 L HN 0.092 nan 8.230 nan 0.000 0.428 223 Y N 2.070 122.416 120.300 0.077 0.000 2.757 223 Y HA -0.143 4.407 4.550 -0.001 0.000 0.344 223 Y C 1.091 177.065 175.900 0.124 0.000 1.263 223 Y CA -0.027 58.129 58.100 0.094 0.000 1.493 223 Y CB 0.437 38.967 38.460 0.116 0.000 1.342 223 Y HN 0.414 nan 8.280 nan 0.000 0.627 224 L N 1.640 122.968 121.223 0.177 0.000 1.932 224 L HA -0.307 4.033 4.340 -0.001 0.000 0.217 224 L C 2.148 179.165 176.870 0.245 0.000 1.077 224 L CA 1.756 56.704 54.840 0.180 0.000 0.765 224 L CB -2.114 40.026 42.059 0.136 0.000 0.888 224 L HN 0.823 nan 8.230 nan 0.000 0.433 225 Y N 0.937 121.343 120.300 0.177 0.000 2.133 225 Y HA -0.352 4.197 4.550 -0.001 0.000 0.279 225 Y C 2.482 178.454 175.900 0.120 0.000 1.209 225 Y CA 2.046 60.229 58.100 0.138 0.000 1.152 225 Y CB -0.327 38.210 38.460 0.129 0.000 0.961 225 Y HN 0.346 nan 8.280 nan 0.000 0.512 226 D N -1.379 119.125 120.400 0.174 0.000 2.088 226 D HA -0.225 4.414 4.640 -0.001 0.000 0.196 226 D C 2.076 178.390 176.300 0.024 0.000 0.983 226 D CA 1.890 55.941 54.000 0.085 0.000 0.846 226 D CB -0.945 39.976 40.800 0.202 0.000 0.992 226 D HN 0.508 nan 8.370 nan 0.000 0.448 227 H N 0.977 120.068 119.070 0.036 0.000 2.267 227 H HA -0.128 4.427 4.556 -0.001 0.000 0.291 227 H C 2.359 177.669 175.328 -0.030 0.000 1.094 227 H CA 1.730 57.783 56.048 0.008 0.000 1.227 227 H CB -0.694 29.079 29.762 0.018 0.000 1.351 227 H HN 0.049 nan 8.280 nan 0.000 0.483 228 L N -0.303 120.852 121.223 -0.113 0.000 2.042 228 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 228 L C 2.589 179.318 176.870 -0.236 0.000 1.076 228 L CA 1.928 56.671 54.840 -0.162 0.000 0.749 228 L CB -0.382 41.670 42.059 -0.013 0.000 0.893 228 L HN 0.274 nan 8.230 nan 0.000 0.432 229 K N 0.052 120.270 120.400 -0.304 0.000 2.280 229 K HA -0.119 4.200 4.320 -0.001 0.000 0.202 229 K C 1.654 178.116 176.600 -0.230 0.000 1.047 229 K CA 0.896 56.971 56.287 -0.352 0.000 0.942 229 K CB 0.051 32.189 32.500 -0.603 0.000 0.739 229 K HN 0.301 nan 8.250 nan 0.000 0.457 230 N N 0.537 119.104 118.700 -0.222 0.000 2.457 230 N HA -0.073 4.666 4.740 -0.001 0.000 0.180 230 N C 0.005 175.407 175.510 -0.181 0.000 1.050 230 N CA 0.517 53.460 53.050 -0.179 0.000 0.906 230 N CB 0.095 38.476 38.487 -0.177 0.000 0.968 230 N HN 0.251 nan 8.380 nan 0.000 0.445 231 Q N 1.330 120.998 119.800 -0.221 0.000 2.492 231 Q HA 0.214 4.553 4.340 -0.001 0.000 0.238 231 Q C -2.123 173.812 176.000 -0.107 0.000 1.045 231 Q CA -1.227 54.476 55.803 -0.168 0.000 0.934 231 Q CB -0.324 28.316 28.738 -0.164 0.000 1.276 231 Q HN 0.175 nan 8.270 nan 0.000 0.521 232 P HA 0.098 nan 4.420 nan 0.000 0.285 232 P C -0.519 176.754 177.300 -0.046 0.000 1.259 232 P CA -0.349 62.718 63.100 -0.054 0.000 0.794 232 P CB 0.568 32.244 31.700 -0.040 0.000 0.940 233 E N 1.923 122.100 120.200 -0.039 0.000 2.558 233 E HA -0.094 4.255 4.350 -0.001 0.000 0.255 233 E C 0.356 176.943 176.600 -0.021 0.000 0.968 233 E CA -0.233 56.150 56.400 -0.028 0.000 0.939 233 E CB 0.292 29.980 29.700 -0.019 0.000 0.921 233 E HN 0.297 nan 8.360 nan 0.000 0.477 234 L N 4.300 125.513 121.223 -0.016 0.000 2.418 234 L HA 0.275 4.614 4.340 -0.001 0.000 0.218 234 L C 0.584 177.448 176.870 -0.010 0.000 1.125 234 L CA 1.615 56.446 54.840 -0.015 0.000 0.835 234 L CB 0.034 42.084 42.059 -0.015 0.000 0.953 234 L HN 0.761 nan 8.230 nan 0.000 0.454 235 G N -2.480 106.320 108.800 -0.000 0.000 2.334 235 G HA2 0.315 4.274 3.960 -0.001 0.000 0.566 235 G HA3 0.315 4.274 3.960 -0.001 0.000 0.566 235 G C -0.372 174.549 174.900 0.035 0.000 1.413 235 G CA -0.667 44.440 45.100 0.010 0.000 0.993 235 G HN 0.355 nan 8.290 nan 0.000 0.642 236 G N -1.165 107.666 108.800 0.053 0.000 2.451 236 G HA2 0.770 4.729 3.960 -0.001 0.000 0.303 236 G HA3 0.770 4.729 3.960 -0.001 0.000 0.303 236 G C -1.180 173.834 174.900 0.191 0.000 1.166 236 G CA -0.353 44.800 45.100 0.088 0.000 0.884 236 G HN 1.757 nan 8.290 nan 0.000 0.514 237 Y N -0.639 119.652 120.300 -0.015 0.000 2.521 237 Y HA 0.460 5.009 4.550 -0.001 0.000 0.328 237 Y C -1.085 174.800 175.900 -0.026 0.000 1.151 237 Y CA -1.063 57.030 58.100 -0.012 0.000 1.054 237 Y CB 1.699 40.159 38.460 0.000 0.000 1.338 237 Y HN 0.545 nan 8.280 nan 0.000 0.453 238 Q N 5.698 125.196 119.800 -0.505 0.000 2.341 238 Q HA 0.706 5.045 4.340 -0.001 0.000 0.268 238 Q C -0.752 174.845 176.000 -0.672 0.000 1.013 238 Q CA -0.611 54.910 55.803 -0.470 0.000 0.798 238 Q CB 1.551 30.146 28.738 -0.238 0.000 1.253 238 Q HN 0.638 nan 8.270 nan 0.000 0.457 239 I N -2.128 118.123 120.570 -0.532 0.000 3.237 239 I HA 0.683 4.852 4.170 -0.001 0.000 0.308 239 I C -0.357 175.605 176.117 -0.258 0.000 1.093 239 I CA -1.074 59.984 61.300 -0.404 0.000 1.001 239 I CB 2.249 40.071 38.000 -0.297 0.000 1.245 239 I HN 0.234 nan 8.210 nan 0.000 0.485 240 S N 2.701 118.272 115.700 -0.215 0.000 2.474 240 S HA 0.469 4.939 4.470 -0.001 0.000 0.320 240 S C -0.341 174.122 174.600 -0.228 0.000 1.067 240 S CA -0.495 57.584 58.200 -0.202 0.000 1.127 240 S CB -0.003 63.083 63.200 -0.191 0.000 0.971 240 S HN 0.422 nan 8.310 nan 0.000 0.472 241 I N 6.612 127.050 120.570 -0.221 0.000 2.395 241 I HA 0.376 4.546 4.170 -0.001 0.000 0.289 241 I C -2.101 173.803 176.117 -0.356 0.000 1.023 241 I CA -2.258 58.888 61.300 -0.258 0.000 1.350 241 I CB 1.633 39.535 38.000 -0.164 0.000 1.409 241 I HN 0.349 nan 8.210 nan 0.000 0.507 242 P HA 0.122 nan 4.420 nan 0.000 0.272 242 P C -1.433 175.602 177.300 -0.442 0.000 1.240 242 P CA -0.243 62.452 63.100 -0.674 0.000 0.791 242 P CB 0.699 31.628 31.700 -1.285 0.000 0.978 243 Q N -0.287 119.372 119.800 -0.235 0.000 2.305 243 Q HA 0.565 4.904 4.340 -0.001 0.000 0.271 243 Q C -0.029 176.014 176.000 0.072 0.000 1.046 243 Q CA -0.671 55.106 55.803 -0.044 0.000 0.798 243 Q CB 2.156 30.870 28.738 -0.040 0.000 1.286 243 Q HN 0.469 nan 8.270 nan 0.000 0.435 244 K N 0.169 120.676 120.400 0.178 0.000 2.531 244 K HA 0.925 5.244 4.320 -0.001 0.000 0.265 244 K C 0.686 177.363 176.600 0.129 0.000 1.045 244 K CA 0.275 56.687 56.287 0.207 0.000 1.040 244 K CB 0.060 32.740 32.500 0.300 0.000 1.436 244 K HN 0.905 nan 8.250 nan 0.000 0.571 245 G N -2.412 106.459 108.800 0.119 0.000 3.355 245 G HA2 0.270 4.230 3.960 -0.001 0.000 0.247 245 G HA3 0.270 4.230 3.960 -0.001 0.000 0.247 245 G C 0.864 175.810 174.900 0.076 0.000 1.818 245 G CA 0.860 46.011 45.100 0.084 0.000 1.309 245 G HN 1.910 nan 8.290 nan 0.000 0.546 257 P HA 0.214 nan 4.420 nan 0.000 0.273 257 P C -0.936 176.336 177.300 -0.047 0.000 1.258 257 P CA -0.480 62.608 63.100 -0.020 0.000 0.802 257 P CB 0.467 32.156 31.700 -0.019 0.000 1.040 258 A N 0.037 122.812 122.820 -0.075 0.000 2.320 258 A HA 0.564 4.883 4.320 -0.001 0.000 0.334 258 A C 0.042 177.563 177.584 -0.105 0.000 1.147 258 A CA -0.724 51.244 52.037 -0.115 0.000 0.820 258 A CB 0.901 19.803 19.000 -0.163 0.000 1.218 258 A HN 0.596 nan 8.150 nan 0.000 0.482 259 R N 1.886 122.314 120.500 -0.120 0.000 2.255 259 R HA 0.344 4.683 4.340 -0.001 0.000 0.326 259 R C -1.119 175.106 176.300 -0.125 0.000 0.986 259 R CA -0.396 55.643 56.100 -0.103 0.000 0.847 259 R CB 0.593 30.846 30.300 -0.079 0.000 1.111 259 R HN 0.565 nan 8.270 nan 0.000 0.452 260 K N 2.533 122.865 120.400 -0.115 0.000 2.368 260 K HA 0.296 4.615 4.320 -0.001 0.000 0.282 260 K C -0.939 175.580 176.600 -0.134 0.000 1.035 260 K CA 0.228 56.435 56.287 -0.132 0.000 0.973 260 K CB 1.281 33.713 32.500 -0.114 0.000 0.957 260 K HN 0.714 nan 8.250 nan 0.000 0.474 261 A N 2.540 125.259 122.820 -0.169 0.000 2.371 261 A HA 0.488 4.807 4.320 -0.001 0.000 0.311 261 A C -0.828 176.645 177.584 -0.185 0.000 1.068 261 A CA -0.723 51.214 52.037 -0.166 0.000 0.744 261 A CB 1.453 20.346 19.000 -0.179 0.000 1.239 261 A HN 0.610 nan 8.150 nan 0.000 0.435 262 S N 1.377 116.993 115.700 -0.140 0.000 2.545 262 S HA 0.587 5.057 4.470 -0.001 0.000 0.275 262 S C -0.341 174.194 174.600 -0.107 0.000 1.299 262 S CA -0.183 57.946 58.200 -0.117 0.000 1.048 262 S CB 0.140 63.295 63.200 -0.075 0.000 0.938 262 S HN 0.519 nan 8.310 nan 0.000 0.496 263 L N 2.215 123.392 121.223 -0.076 0.000 2.381 263 L HA 0.535 4.875 4.340 -0.001 0.000 0.268 263 L C -0.065 176.824 176.870 0.032 0.000 0.997 263 L CA -0.581 54.241 54.840 -0.031 0.000 0.818 263 L CB 2.151 44.202 42.059 -0.013 0.000 1.310 263 L HN 0.559 nan 8.230 nan 0.000 0.416 264 S N 4.014 119.725 115.700 0.018 0.000 2.528 264 S HA 0.546 5.016 4.470 -0.001 0.000 0.303 264 S C -0.388 174.232 174.600 0.033 0.000 1.123 264 S CA -0.683 57.532 58.200 0.026 0.000 1.138 264 S CB -0.101 63.105 63.200 0.010 0.000 0.984 264 S HN 0.417 nan 8.310 nan 0.000 0.474 265 L N 3.942 125.193 121.223 0.046 0.000 2.468 265 L HA 0.681 5.020 4.340 -0.001 0.000 0.254 265 L C 0.609 177.487 176.870 0.013 0.000 1.171 265 L CA -0.899 53.967 54.840 0.043 0.000 0.809 265 L CB 0.531 42.621 42.059 0.051 0.000 1.155 265 L HN 0.491 nan 8.230 nan 0.000 0.473 266 R N 0.271 120.777 120.500 0.010 0.000 2.522 266 R HA 0.289 4.628 4.340 -0.001 0.000 0.273 266 R C -1.156 175.143 176.300 -0.002 0.000 1.133 266 R CA -0.338 55.753 56.100 -0.014 0.000 0.969 266 R CB 2.255 32.529 30.300 -0.043 0.000 1.235 266 R HN 0.833 nan 8.270 nan 0.000 0.433 267 S N 1.116 116.811 115.700 -0.008 0.000 2.722 267 S HA 0.940 5.409 4.470 -0.001 0.000 0.292 267 S C 0.018 174.625 174.600 0.011 0.000 1.135 267 S CA -0.088 58.114 58.200 0.004 0.000 1.003 267 S CB 2.095 65.294 63.200 -0.002 0.000 1.067 267 S HN 0.817 nan 8.310 nan 0.000 0.546 268 G N 0.982 109.800 108.800 0.030 0.000 2.377 268 G HA2 0.418 4.378 3.960 -0.001 0.000 0.297 268 G HA3 0.418 4.378 3.960 -0.001 0.000 0.297 268 G C -1.834 173.103 174.900 0.062 0.000 1.547 268 G CA -0.987 44.152 45.100 0.065 0.000 0.833 268 G HN 0.664 nan 8.290 nan 0.000 0.583 269 R N 0.026 120.567 120.500 0.070 0.000 2.598 269 R HA 0.737 5.076 4.340 -0.001 0.000 0.279 269 R C -0.724 175.587 176.300 0.019 0.000 0.984 269 R CA -0.741 55.379 56.100 0.033 0.000 0.999 269 R CB 1.898 32.208 30.300 0.017 0.000 1.114 269 R HN 0.452 nan 8.270 nan 0.000 0.493 270 I N 1.121 121.690 120.570 -0.002 0.000 2.722 270 I HA 0.153 4.322 4.170 -0.001 0.000 0.292 270 I C -0.942 175.155 176.117 -0.033 0.000 1.267 270 I CA -0.318 60.962 61.300 -0.033 0.000 1.036 270 I CB 2.911 40.910 38.000 -0.002 0.000 1.281 270 I HN 0.504 nan 8.210 nan 0.000 0.423 271 T N 6.754 121.270 114.554 -0.064 0.000 2.772 271 T HA 0.548 4.897 4.350 -0.001 0.000 0.288 271 T C 0.124 174.783 174.700 -0.068 0.000 0.994 271 T CA -0.467 61.601 62.100 -0.053 0.000 0.951 271 T CB 1.240 70.071 68.868 -0.061 0.000 0.933 271 T HN 0.285 nan 8.240 nan 0.000 0.447 272 L N 3.001 124.192 121.223 -0.053 0.000 2.466 272 L HA 0.304 4.643 4.340 -0.001 0.000 0.257 272 L C 2.031 178.840 176.870 -0.102 0.000 1.189 272 L CA -0.687 54.106 54.840 -0.079 0.000 0.813 272 L CB 0.679 42.702 42.059 -0.061 0.000 1.118 272 L HN 0.678 nan 8.230 nan 0.000 0.471 273 K N 0.600 120.922 120.400 -0.129 0.000 1.984 273 K HA -0.145 4.174 4.320 -0.001 0.000 0.209 273 K C 1.536 178.029 176.600 -0.178 0.000 1.046 273 K CA 0.892 57.098 56.287 -0.135 0.000 0.934 273 K CB -0.407 32.012 32.500 -0.134 0.000 0.717 273 K HN 0.563 nan 8.250 nan 0.000 0.438 274 Q N 0.589 120.226 119.800 -0.272 0.000 2.204 274 Q HA -0.234 4.106 4.340 -0.001 0.000 0.220 274 Q C 1.605 177.268 176.000 -0.562 0.000 1.064 274 Q CA 2.466 57.916 55.803 -0.588 0.000 0.946 274 Q CB -0.978 27.270 28.738 -0.816 0.000 1.083 274 Q HN 0.671 nan 8.270 nan 0.000 0.443 275 G N -0.602 108.042 108.800 -0.260 0.000 5.432 275 G HA2 0.233 4.192 3.960 -0.001 0.000 0.221 275 G HA3 0.233 4.192 3.960 -0.001 0.000 0.221 275 G C -0.301 174.597 174.900 -0.003 0.000 0.809 275 G CA -0.127 44.959 45.100 -0.023 0.000 0.700 275 G HN 0.258 nan 8.290 nan 0.000 0.367 276 N N 0.068 118.741 118.700 -0.045 0.000 2.714 276 N HA -0.168 4.571 4.740 -0.001 0.000 0.253 276 N C -0.041 175.465 175.510 -0.008 0.000 1.024 276 N CA 0.574 53.605 53.050 -0.032 0.000 0.726 276 N CB -1.232 37.240 38.487 -0.024 0.000 0.908 276 N HN 0.559 nan 8.380 nan 0.000 0.542 277 I N -0.176 120.395 120.570 0.001 0.000 2.301 277 I HA 0.177 4.346 4.170 -0.001 0.000 0.292 277 I C 0.952 177.080 176.117 0.019 0.000 1.046 277 I CA -0.291 61.029 61.300 0.032 0.000 1.282 277 I CB 1.442 39.487 38.000 0.075 0.000 1.409 277 I HN 0.053 nan 8.210 nan 0.000 0.484 278 T N 8.010 122.575 114.554 0.018 0.000 2.795 278 T HA 0.779 5.129 4.350 -0.001 0.000 0.282 278 T C -0.615 174.101 174.700 0.026 0.000 0.980 278 T CA -0.394 61.710 62.100 0.007 0.000 1.012 278 T CB 0.476 69.339 68.868 -0.008 0.000 0.936 278 T HN 0.409 nan 8.240 nan 0.000 0.457 279 L N 2.474 123.712 121.223 0.025 0.000 2.838 279 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 279 L C -1.037 175.843 176.870 0.017 0.000 1.040 279 L CA -1.483 53.374 54.840 0.030 0.000 0.906 279 L CB 0.389 42.493 42.059 0.075 0.000 1.501 279 L HN 0.363 nan 8.230 nan 0.000 0.407 280 N N 0.458 119.156 118.700 -0.003 0.000 2.520 280 N HA 0.707 5.446 4.740 -0.001 0.000 0.273 280 N C -0.376 175.136 175.510 0.003 0.000 1.155 280 N CA -0.015 53.032 53.050 -0.004 0.000 0.967 280 N CB 1.284 39.754 38.487 -0.028 0.000 1.092 280 N HN 1.056 nan 8.380 nan 0.000 0.457 281 A N 1.161 123.996 122.820 0.025 0.000 2.354 281 A HA 0.776 5.095 4.320 -0.001 0.000 0.321 281 A C -0.864 176.742 177.584 0.037 0.000 1.125 281 A CA -0.660 51.399 52.037 0.037 0.000 0.799 281 A CB 1.128 20.166 19.000 0.064 0.000 1.293 281 A HN 0.420 nan 8.150 nan 0.000 0.452 282 V N 1.645 121.586 119.914 0.046 0.000 2.525 282 V HA 0.438 4.557 4.120 -0.001 0.000 0.299 282 V C -1.153 174.997 176.094 0.092 0.000 1.034 282 V CA -0.333 62.002 62.300 0.059 0.000 0.863 282 V CB 1.383 33.242 31.823 0.060 0.000 0.999 282 V HN 0.780 nan 8.190 nan 0.000 0.423 283 L N 5.022 126.298 121.223 0.088 0.000 2.294 283 L HA 0.899 5.239 4.340 -0.001 0.000 0.283 283 L C 0.112 177.050 176.870 0.114 0.000 1.015 283 L CA -0.089 54.822 54.840 0.119 0.000 0.831 283 L CB 1.184 43.298 42.059 0.090 0.000 1.217 283 L HN 0.763 nan 8.230 nan 0.000 0.420 284 A N 4.933 127.843 122.820 0.150 0.000 2.304 284 A HA 0.771 5.090 4.320 -0.001 0.000 0.314 284 A C -0.804 176.793 177.584 0.021 0.000 1.187 284 A CA -0.526 51.560 52.037 0.082 0.000 0.810 284 A CB 0.635 19.686 19.000 0.086 0.000 1.183 284 A HN 0.715 nan 8.150 nan 0.000 0.487 285 E N 1.815 122.021 120.200 0.010 0.000 2.210 285 E HA 0.325 4.674 4.350 -0.001 0.000 0.266 285 E C -0.760 175.805 176.600 -0.058 0.000 0.883 285 E CA -0.753 55.645 56.400 -0.004 0.000 0.761 285 E CB 2.160 31.914 29.700 0.089 0.000 1.156 285 E HN 0.798 nan 8.360 nan 0.000 0.412 286 E N 2.710 122.847 120.200 -0.105 0.000 2.437 286 E HA -0.062 4.287 4.350 -0.001 0.000 0.263 286 E C -0.037 176.529 176.600 -0.057 0.000 1.030 286 E CA 0.423 56.758 56.400 -0.109 0.000 0.934 286 E CB 0.567 30.200 29.700 -0.111 0.000 0.943 286 E HN 0.549 nan 8.360 nan 0.000 0.444 287 I N 2.086 122.623 120.570 -0.056 0.000 2.726 287 I HA 0.027 4.196 4.170 -0.001 0.000 0.243 287 I C 0.314 176.413 176.117 -0.028 0.000 1.082 287 I CA 0.037 61.317 61.300 -0.033 0.000 1.447 287 I CB 0.096 38.078 38.000 -0.029 0.000 1.250 287 I HN 0.433 nan 8.210 nan 0.000 0.453 288 N N 2.014 120.693 118.700 -0.036 0.000 2.716 288 N HA 0.297 5.036 4.740 -0.001 0.000 0.253 288 N C -2.583 172.905 175.510 -0.037 0.000 1.170 288 N CA -0.972 52.061 53.050 -0.030 0.000 0.807 288 N CB 1.029 39.500 38.487 -0.025 0.000 1.183 288 N HN 0.053 nan 8.380 nan 0.000 0.524 289 P HA 0.326 nan 4.420 nan 0.000 0.275 289 P C -2.346 174.936 177.300 -0.029 0.000 1.227 289 P CA -0.899 62.177 63.100 -0.040 0.000 0.781 289 P CB 0.067 31.745 31.700 -0.036 0.000 0.906 290 P HA 0.017 nan 4.420 nan 0.000 0.270 290 P C 0.115 177.407 177.300 -0.013 0.000 1.221 290 P CA -0.013 63.073 63.100 -0.022 0.000 0.788 290 P CB 0.394 32.081 31.700 -0.023 0.000 0.904 291 K N 0.584 120.978 120.400 -0.009 0.000 2.489 291 K HA 0.139 4.458 4.320 -0.001 0.000 0.278 291 K C 1.386 177.986 176.600 0.000 0.000 1.000 291 K CA 0.996 57.280 56.287 -0.004 0.000 1.012 291 K CB -0.493 32.006 32.500 -0.003 0.000 0.903 291 K HN 0.748 nan 8.250 nan 0.000 0.485 292 G N 2.781 111.582 108.800 0.002 0.000 2.451 292 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.253 292 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.253 292 G C 0.097 175.003 174.900 0.011 0.000 1.033 292 G CA 0.299 45.403 45.100 0.007 0.000 0.633 292 G HN 0.676 nan 8.290 nan 0.000 0.537 293 E N 1.761 121.966 120.200 0.008 0.000 2.417 293 E HA 0.253 4.603 4.350 -0.001 0.000 0.261 293 E C 0.534 177.141 176.600 0.013 0.000 1.000 293 E CA 0.326 56.734 56.400 0.013 0.000 0.919 293 E CB 0.617 30.319 29.700 0.004 0.000 0.955 293 E HN 0.193 nan 8.360 nan 0.000 0.455 294 T N 6.061 120.630 114.554 0.026 0.000 2.867 294 T HA 0.105 4.455 4.350 -0.001 0.000 0.297 294 T C -2.198 172.513 174.700 0.017 0.000 0.989 294 T CA -1.213 60.903 62.100 0.026 0.000 1.159 294 T CB 0.298 69.192 68.868 0.044 0.000 0.928 294 T HN 0.193 nan 8.240 nan 0.000 0.538 295 P HA 0.124 nan 4.420 nan 0.000 0.264 295 P C 0.007 177.293 177.300 -0.024 0.000 1.193 295 P CA -0.311 62.778 63.100 -0.018 0.000 0.763 295 P CB 0.336 32.028 31.700 -0.014 0.000 0.810 296 L N 3.044 124.221 121.223 -0.076 0.000 2.464 296 L HA 0.331 4.670 4.340 -0.001 0.000 0.264 296 L C 0.324 177.095 176.870 -0.165 0.000 1.199 296 L CA -0.015 54.733 54.840 -0.153 0.000 0.818 296 L CB 0.353 42.206 42.059 -0.343 0.000 1.102 296 L HN 0.461 nan 8.230 nan 0.000 0.473 297 K N 3.351 123.642 120.400 -0.181 0.000 2.579 297 K HA 0.241 4.560 4.320 -0.001 0.000 0.283 297 K C -2.436 174.318 176.600 0.257 0.000 1.069 297 K CA -0.666 55.610 56.287 -0.018 0.000 0.977 297 K CB 0.514 33.032 32.500 0.030 0.000 1.334 297 K HN 0.469 nan 8.250 nan 0.000 0.462 298 W N 4.522 125.884 121.300 0.103 0.000 2.761 298 W HA 0.569 5.228 4.660 -0.001 0.000 0.340 298 W C -0.892 175.660 176.519 0.055 0.000 1.072 298 W CA -1.157 56.228 57.345 0.067 0.000 1.215 298 W CB 1.662 31.157 29.460 0.057 0.000 1.420 298 W HN 0.443 nan 8.180 nan 0.000 0.519 299 L N 4.586 125.956 121.223 0.245 0.000 2.462 299 L HA 0.417 4.756 4.340 -0.001 0.000 0.255 299 L C -1.274 175.604 176.870 0.014 0.000 1.076 299 L CA -0.444 54.479 54.840 0.139 0.000 0.920 299 L CB 0.307 42.457 42.059 0.152 0.000 1.214 299 L HN 0.263 nan 8.230 nan 0.000 0.472 300 L N 3.841 125.055 121.223 -0.014 0.000 2.325 300 L HA 0.541 4.880 4.340 -0.001 0.000 0.279 300 L C -0.562 176.299 176.870 -0.015 0.000 1.054 300 L CA -0.465 54.318 54.840 -0.094 0.000 0.804 300 L CB 1.784 43.754 42.059 -0.150 0.000 1.200 300 L HN 0.409 nan 8.230 nan 0.000 0.436 301 L N 2.147 123.378 121.223 0.012 0.000 2.341 301 L HA 0.760 5.099 4.340 -0.001 0.000 0.278 301 L C -0.069 176.830 176.870 0.049 0.000 1.005 301 L CA -0.102 54.776 54.840 0.063 0.000 0.818 301 L CB 2.077 44.213 42.059 0.128 0.000 1.259 301 L HN 0.698 nan 8.230 nan 0.000 0.418 302 T N -1.080 113.405 114.554 -0.115 0.000 2.821 302 T HA 0.213 4.562 4.350 -0.001 0.000 0.306 302 T C 0.772 175.097 174.700 -0.625 0.000 1.313 302 T CA 0.144 61.959 62.100 -0.476 0.000 1.012 302 T CB 1.570 70.276 68.868 -0.269 0.000 1.298 302 T HN 0.598 nan 8.240 nan 0.000 0.502 303 S N 0.871 115.939 115.700 -1.053 0.000 2.406 303 S HA 0.096 4.566 4.470 -0.001 0.000 0.228 303 S C 0.589 175.016 174.600 -0.289 0.000 1.020 303 S CA 0.250 58.080 58.200 -0.617 0.000 0.965 303 S CB -0.338 62.508 63.200 -0.591 0.000 0.798 303 S HN 0.733 nan 8.310 nan 0.000 0.488 304 E N 3.031 123.073 120.200 -0.263 0.000 2.404 304 E HA 0.327 4.677 4.350 -0.001 0.000 0.261 304 E C -2.471 174.072 176.600 -0.094 0.000 1.074 304 E CA -2.326 53.992 56.400 -0.135 0.000 0.917 304 E CB -0.345 29.292 29.700 -0.105 0.000 0.965 304 E HN 0.248 nan 8.360 nan 0.000 0.433 305 P HA -0.003 nan 4.420 nan 0.000 0.269 305 P C 0.282 177.561 177.300 -0.036 0.000 1.217 305 P CA 0.122 63.197 63.100 -0.042 0.000 0.783 305 P CB 0.559 32.240 31.700 -0.032 0.000 0.898 306 V N 0.069 119.967 119.914 -0.027 0.000 3.777 306 V HA 0.006 4.125 4.120 -0.001 0.000 0.285 306 V C 1.763 177.847 176.094 -0.016 0.000 1.668 306 V CA 0.049 62.337 62.300 -0.020 0.000 1.178 306 V CB -0.019 31.794 31.823 -0.017 0.000 0.962 306 V HN 0.513 nan 8.190 nan 0.000 0.411 307 E N 1.770 121.960 120.200 -0.017 0.000 2.070 307 E HA -0.141 4.208 4.350 -0.001 0.000 0.197 307 E C 1.076 177.666 176.600 -0.018 0.000 1.004 307 E CA 1.744 58.136 56.400 -0.014 0.000 0.805 307 E CB 0.166 29.858 29.700 -0.014 0.000 0.744 307 E HN 0.695 nan 8.360 nan 0.000 0.451 308 S N -0.773 114.913 115.700 -0.023 0.000 2.532 308 S HA 0.209 4.678 4.470 -0.001 0.000 0.301 308 S C 0.775 175.350 174.600 -0.041 0.000 1.083 308 S CA -0.778 57.405 58.200 -0.028 0.000 1.025 308 S CB 2.175 65.359 63.200 -0.027 0.000 1.056 308 S HN 0.148 nan 8.310 nan 0.000 0.494 309 L N 2.288 123.483 121.223 -0.047 0.000 2.123 309 L HA -0.187 4.153 4.340 -0.001 0.000 0.217 309 L C 2.590 179.393 176.870 -0.112 0.000 1.081 309 L CA 2.641 57.436 54.840 -0.074 0.000 0.772 309 L CB -0.966 41.054 42.059 -0.065 0.000 0.890 309 L HN 0.996 nan 8.230 nan 0.000 0.437 310 A N -1.239 121.528 122.820 -0.087 0.000 1.877 310 A HA -0.288 4.031 4.320 -0.001 0.000 0.216 310 A C 2.136 179.671 177.584 -0.081 0.000 1.186 310 A CA 1.895 53.876 52.037 -0.093 0.000 0.620 310 A CB -0.620 18.346 19.000 -0.056 0.000 0.822 310 A HN 0.650 nan 8.150 nan 0.000 0.443 311 Q N -0.543 119.224 119.800 -0.055 0.000 2.135 311 Q HA -0.067 4.272 4.340 -0.001 0.000 0.204 311 Q C 2.248 178.226 176.000 -0.035 0.000 0.981 311 Q CA 1.564 57.343 55.803 -0.039 0.000 0.856 311 Q CB -0.395 28.325 28.738 -0.030 0.000 0.902 311 Q HN 0.685 nan 8.270 nan 0.000 0.425 312 A N 0.035 122.828 122.820 -0.045 0.000 2.016 312 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 312 A C 1.835 179.402 177.584 -0.029 0.000 1.162 312 A CA 0.635 52.657 52.037 -0.024 0.000 0.662 312 A CB -0.155 18.836 19.000 -0.015 0.000 0.812 312 A HN 0.190 nan 8.150 nan 0.000 0.450 313 L N -0.486 120.662 121.223 -0.126 0.000 1.988 313 L HA -0.054 4.285 4.340 -0.001 0.000 0.207 313 L C 2.441 179.310 176.870 -0.001 0.000 1.071 313 L CA 1.623 56.338 54.840 -0.207 0.000 0.744 313 L CB -1.088 40.687 42.059 -0.474 0.000 0.893 313 L HN 0.263 nan 8.230 nan 0.000 0.433 314 R N -0.340 120.160 120.500 -0.000 0.000 2.204 314 R HA -0.167 4.172 4.340 -0.001 0.000 0.253 314 R C 2.007 178.367 176.300 0.100 0.000 1.172 314 R CA 1.453 57.589 56.100 0.060 0.000 0.994 314 R CB -0.982 29.335 30.300 0.028 0.000 0.874 314 R HN 0.287 nan 8.270 nan 0.000 0.462 315 V N -0.036 119.931 119.914 0.089 0.000 2.300 315 V HA -0.157 3.962 4.120 -0.001 0.000 0.241 315 V C 2.251 178.479 176.094 0.224 0.000 1.034 315 V CA 1.186 63.557 62.300 0.119 0.000 1.021 315 V CB -0.442 31.418 31.823 0.062 0.000 0.662 315 V HN 0.074 nan 8.190 nan 0.000 0.458 316 I N 0.697 121.417 120.570 0.251 0.000 2.236 316 I HA -0.252 3.917 4.170 -0.001 0.000 0.249 316 I C 2.245 178.642 176.117 0.466 0.000 1.102 316 I CA 1.546 63.093 61.300 0.411 0.000 1.365 316 I CB -1.285 36.954 38.000 0.398 0.000 1.051 316 I HN 0.357 nan 8.210 nan 0.000 0.420 317 D N 0.424 121.048 120.400 0.373 0.000 2.078 317 D HA -0.129 4.511 4.640 -0.001 0.000 0.193 317 D C 2.411 178.938 176.300 0.378 0.000 0.990 317 D CA 1.118 55.344 54.000 0.377 0.000 0.827 317 D CB -0.274 40.729 40.800 0.339 0.000 0.975 317 D HN 0.252 nan 8.370 nan 0.000 0.451 318 I N 0.302 121.001 120.570 0.215 0.000 2.145 318 I HA -0.359 3.810 4.170 -0.001 0.000 0.244 318 I C 2.333 178.573 176.117 0.206 0.000 1.075 318 I CA 1.208 62.554 61.300 0.076 0.000 1.332 318 I CB -0.178 37.898 38.000 0.128 0.000 1.033 318 I HN 0.061 nan 8.210 nan 0.000 0.410 319 Y N 1.767 122.150 120.300 0.138 0.000 2.097 319 Y HA -0.356 4.193 4.550 -0.001 0.000 0.282 319 Y C 2.945 178.893 175.900 0.081 0.000 1.152 319 Y CA 2.106 60.247 58.100 0.068 0.000 1.136 319 Y CB -1.137 37.336 38.460 0.021 0.000 0.975 319 Y HN 0.390 nan 8.280 nan 0.000 0.498 320 T N -2.035 112.583 114.554 0.107 0.000 2.836 320 T HA -0.289 4.060 4.350 -0.001 0.000 0.268 320 T C 0.938 175.538 174.700 -0.167 0.000 1.080 320 T CA 2.057 64.159 62.100 0.003 0.000 1.128 320 T CB -0.905 68.008 68.868 0.075 0.000 0.839 320 T HN 0.524 nan 8.240 nan 0.000 0.507 321 H N -0.088 118.839 119.070 -0.238 0.000 2.567 321 H HA 0.431 4.987 4.556 -0.001 0.000 0.294 321 H C 1.979 177.209 175.328 -0.164 0.000 1.050 321 H CA -0.427 55.475 56.048 -0.244 0.000 1.168 321 H CB -0.234 29.316 29.762 -0.353 0.000 1.422 321 H HN 0.336 nan 8.280 nan 0.000 0.562 322 R N -0.257 120.160 120.500 -0.137 0.000 2.075 322 R HA -0.112 4.227 4.340 -0.001 0.000 0.226 322 R C 0.932 177.219 176.300 -0.021 0.000 1.114 322 R CA 0.776 56.777 56.100 -0.166 0.000 0.972 322 R CB -0.186 29.801 30.300 -0.522 0.000 0.869 322 R HN 0.345 nan 8.270 nan 0.000 0.437 323 W N 1.630 122.795 121.300 -0.226 0.000 2.336 323 W HA -0.187 4.472 4.660 -0.001 0.000 0.277 323 W C 2.330 178.788 176.519 -0.102 0.000 1.211 323 W CA 1.719 58.980 57.345 -0.139 0.000 1.187 323 W CB -0.317 29.076 29.460 -0.111 0.000 1.132 323 W HN 0.167 nan 8.180 nan 0.000 0.562 324 R N 0.557 121.129 120.500 0.120 0.000 2.119 324 R HA -0.218 4.121 4.340 -0.001 0.000 0.246 324 R C 2.156 178.433 176.300 -0.037 0.000 1.146 324 R CA 1.949 58.081 56.100 0.053 0.000 0.962 324 R CB -1.037 29.278 30.300 0.025 0.000 0.863 324 R HN 0.204 nan 8.270 nan 0.000 0.442 325 I N 0.649 121.131 120.570 -0.147 0.000 2.264 325 I HA -0.294 3.876 4.170 -0.001 0.000 0.248 325 I C 1.597 177.472 176.117 -0.405 0.000 1.111 325 I CA 1.734 62.835 61.300 -0.332 0.000 1.382 325 I CB -0.270 37.477 38.000 -0.422 0.000 1.060 325 I HN 0.426 nan 8.210 nan 0.000 0.418 326 E N 0.274 120.332 120.200 -0.237 0.000 2.077 326 E HA -0.247 4.102 4.350 -0.001 0.000 0.193 326 E C 2.025 178.606 176.600 -0.031 0.000 0.989 326 E CA 1.203 57.522 56.400 -0.136 0.000 0.800 326 E CB -0.000 29.546 29.700 -0.257 0.000 0.746 326 E HN 0.514 nan 8.360 nan 0.000 0.452 327 E N 0.196 120.400 120.200 0.007 0.000 2.038 327 E HA -0.216 4.134 4.350 -0.001 0.000 0.195 327 E C 1.989 178.523 176.600 -0.110 0.000 1.000 327 E CA 1.022 57.451 56.400 0.050 0.000 0.803 327 E CB -0.320 29.485 29.700 0.176 0.000 0.750 327 E HN 0.202 nan 8.360 nan 0.000 0.448 328 F N 1.917 121.724 119.950 -0.239 0.000 2.043 328 F HA -0.307 4.220 4.527 -0.001 0.000 0.297 328 F C 2.136 177.860 175.800 -0.126 0.000 1.118 328 F CA 2.245 60.075 58.000 -0.284 0.000 1.202 328 F CB -0.796 37.979 39.000 -0.375 0.000 0.965 328 F HN 0.133 nan 8.300 nan 0.000 0.482 329 H N -0.135 118.860 119.070 -0.125 0.000 2.289 329 H HA -0.262 4.293 4.556 -0.001 0.000 0.294 329 H C 2.435 177.628 175.328 -0.225 0.000 1.095 329 H CA 1.700 57.648 56.048 -0.168 0.000 1.256 329 H CB -0.325 29.413 29.762 -0.040 0.000 1.359 329 H HN 0.327 nan 8.280 nan 0.000 0.487 330 K N 1.199 121.554 120.400 -0.075 0.000 2.009 330 K HA -0.144 4.175 4.320 -0.001 0.000 0.210 330 K C 2.446 178.821 176.600 -0.375 0.000 1.049 330 K CA 1.351 57.539 56.287 -0.165 0.000 0.929 330 K CB -0.275 32.190 32.500 -0.059 0.000 0.714 330 K HN 0.227 nan 8.250 nan 0.000 0.440 331 A N 0.421 122.781 122.820 -0.767 0.000 2.024 331 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 331 A C 1.834 179.397 177.584 -0.034 0.000 1.164 331 A CA 1.339 52.849 52.037 -0.878 0.000 0.643 331 A CB -0.862 17.341 19.000 -1.329 0.000 0.806 331 A HN 0.729 nan 8.150 nan 0.000 0.451 332 W N 0.510 121.548 121.300 -0.436 0.000 2.474 332 W HA 0.007 4.666 4.660 -0.001 0.000 0.319 332 W C 1.937 178.217 176.519 -0.399 0.000 1.165 332 W CA 1.479 58.590 57.345 -0.389 0.000 1.356 332 W CB -0.649 28.398 29.460 -0.687 0.000 1.172 332 W HN 0.232 nan 8.180 nan 0.000 0.478 333 K N -0.460 119.764 120.400 -0.293 0.000 2.366 333 K HA -0.176 4.143 4.320 -0.001 0.000 0.202 333 K C 1.935 178.316 176.600 -0.366 0.000 1.045 333 K CA 1.817 57.871 56.287 -0.388 0.000 0.934 333 K CB -0.300 32.030 32.500 -0.284 0.000 0.746 333 K HN 0.098 nan 8.250 nan 0.000 0.470 334 T N -0.660 113.695 114.554 -0.332 0.000 2.837 334 T HA -0.019 4.330 4.350 -0.001 0.000 0.242 334 T C 1.862 176.147 174.700 -0.692 0.000 1.044 334 T CA 1.140 63.054 62.100 -0.310 0.000 1.202 334 T CB -0.406 68.438 68.868 -0.040 0.000 0.905 334 T HN 0.395 nan 8.240 nan 0.000 0.413 335 G N 0.693 108.568 108.800 -1.541 0.000 2.564 335 G HA2 0.013 3.973 3.960 -0.001 0.000 0.217 335 G HA3 0.013 3.973 3.960 -0.001 0.000 0.217 335 G C 1.311 175.359 174.900 -1.420 0.000 1.120 335 G CA 1.186 44.567 45.100 -2.865 0.000 0.752 335 G HN 0.570 nan 8.290 nan 0.000 0.558 336 A N 0.527 122.792 122.820 -0.925 0.000 1.941 336 A HA 0.470 4.789 4.320 -0.001 0.000 0.214 336 A C 2.329 179.642 177.584 -0.452 0.000 1.368 336 A CA 1.050 52.700 52.037 -0.645 0.000 0.651 336 A CB -0.763 17.811 19.000 -0.711 0.000 1.064 336 A HN 0.531 nan 8.150 nan 0.000 0.492 337 G N -0.502 108.056 108.800 -0.404 0.000 3.327 337 G HA2 0.330 4.289 3.960 -0.001 0.000 0.218 337 G HA3 0.330 4.289 3.960 -0.001 0.000 0.218 337 G C 0.616 175.379 174.900 -0.228 0.000 1.261 337 G CA 0.923 45.855 45.100 -0.280 0.000 1.438 337 G HN 0.895 nan 8.290 nan 0.000 0.530 338 A N -0.761 121.908 122.820 -0.252 0.000 2.141 338 A HA 0.363 4.682 4.320 -0.001 0.000 0.196 338 A C 1.563 179.061 177.584 -0.143 0.000 1.502 338 A CA 0.166 52.096 52.037 -0.178 0.000 1.075 338 A CB 0.486 19.363 19.000 -0.205 0.000 1.217 338 A HN 0.310 nan 8.150 nan 0.000 0.477 339 E N -0.741 119.347 120.200 -0.186 0.000 2.476 339 E HA 0.117 4.466 4.350 -0.001 0.000 0.199 339 E C 1.619 178.138 176.600 -0.134 0.000 1.021 339 E CA 0.532 56.849 56.400 -0.139 0.000 0.907 339 E CB 0.362 29.976 29.700 -0.142 0.000 0.974 339 E HN 0.473 nan 8.360 nan 0.000 0.489 340 R N 0.091 120.496 120.500 -0.159 0.000 2.535 340 R HA 0.235 4.574 4.340 -0.001 0.000 0.323 340 R C 1.339 177.569 176.300 -0.117 0.000 0.979 340 R CA 0.843 56.858 56.100 -0.142 0.000 1.120 340 R CB -0.604 29.593 30.300 -0.171 0.000 1.306 340 R HN 0.153 nan 8.270 nan 0.000 0.540 341 Q N -1.242 118.490 119.800 -0.113 0.000 2.214 341 Q HA 0.396 4.735 4.340 -0.001 0.000 0.229 341 Q C 1.768 177.727 176.000 -0.068 0.000 0.835 341 Q CA 0.873 56.622 55.803 -0.090 0.000 0.953 341 Q CB 0.227 28.907 28.738 -0.098 0.000 1.131 341 Q HN 0.795 nan 8.270 nan 0.000 0.501 342 R N -2.059 118.399 120.500 -0.070 0.000 2.539 342 R HA 0.793 5.133 4.340 -0.001 0.000 0.342 342 R C 0.685 176.956 176.300 -0.049 0.000 0.941 342 R CA 1.535 57.604 56.100 -0.051 0.000 1.146 342 R CB -0.272 30.004 30.300 -0.041 0.000 1.541 342 R HN 1.465 nan 8.270 nan 0.000 0.525 347 D N -2.079 118.273 120.400 -0.080 0.000 2.305 347 D HA 0.242 4.881 4.640 -0.001 0.000 0.206 347 D C 1.534 177.782 176.300 -0.087 0.000 0.974 347 D CA 2.119 56.072 54.000 -0.078 0.000 0.871 347 D CB -0.676 40.090 40.800 -0.056 0.000 0.947 347 D HN 0.918 nan 8.370 nan 0.000 0.516 348 N N -0.577 118.074 118.700 -0.081 0.000 2.383 348 N HA 0.440 5.179 4.740 -0.001 0.000 0.192 348 N C 2.147 177.595 175.510 -0.103 0.000 1.141 348 N CA 0.990 53.995 53.050 -0.075 0.000 0.851 348 N CB -0.747 37.709 38.487 -0.051 0.000 0.976 348 N HN 0.777 nan 8.380 nan 0.000 0.465 349 L N -0.358 120.782 121.223 -0.139 0.000 1.988 349 L HA 0.080 4.419 4.340 -0.001 0.000 0.207 349 L C 2.284 179.030 176.870 -0.207 0.000 1.071 349 L CA 2.475 57.207 54.840 -0.179 0.000 0.744 349 L CB -1.364 40.558 42.059 -0.228 0.000 0.893 349 L HN 0.633 nan 8.230 nan 0.000 0.433 350 E N -1.509 118.547 120.200 -0.241 0.000 2.358 350 E HA -0.118 4.231 4.350 -0.001 0.000 0.195 350 E C 2.351 178.757 176.600 -0.323 0.000 1.010 350 E CA 0.423 56.607 56.400 -0.360 0.000 0.856 350 E CB 0.102 29.563 29.700 -0.398 0.000 0.795 350 E HN 0.626 nan 8.360 nan 0.000 0.504 351 R N 0.280 120.670 120.500 -0.183 0.000 2.089 351 R HA -0.144 4.195 4.340 -0.001 0.000 0.222 351 R C 2.765 179.060 176.300 -0.008 0.000 1.151 351 R CA 1.943 57.989 56.100 -0.091 0.000 0.908 351 R CB -0.652 29.615 30.300 -0.055 0.000 0.813 351 R HN 0.167 nan 8.270 nan 0.000 0.440 352 M N 0.222 119.821 119.600 -0.002 0.000 2.128 352 M HA -0.200 4.280 4.480 -0.001 0.000 0.253 352 M C 2.474 178.844 176.300 0.117 0.000 1.079 352 M CA 2.390 57.722 55.300 0.053 0.000 1.082 352 M CB -1.835 30.765 32.600 -0.001 0.000 1.335 352 M HN 0.208 nan 8.290 nan 0.000 0.401 353 V N 0.433 120.377 119.914 0.049 0.000 2.287 353 V HA -0.314 3.805 4.120 -0.001 0.000 0.248 353 V C 2.770 179.245 176.094 0.636 0.000 1.053 353 V CA 2.824 65.182 62.300 0.096 0.000 1.027 353 V CB -0.615 31.150 31.823 -0.097 0.000 0.646 353 V HN 0.847 nan 8.190 nan 0.000 0.447 354 S N 0.211 116.228 115.700 0.527 0.000 2.392 354 S HA -0.209 4.260 4.470 -0.001 0.000 0.232 354 S C 1.739 176.691 174.600 0.586 0.000 1.041 354 S CA 1.999 60.562 58.200 0.606 0.000 1.026 354 S CB -0.405 62.985 63.200 0.318 0.000 0.845 354 S HN 0.566 nan 8.310 nan 0.000 0.465 355 I N 1.068 121.916 120.570 0.464 0.000 2.094 355 I HA -0.124 4.046 4.170 -0.001 0.000 0.234 355 I C 2.135 178.577 176.117 0.542 0.000 1.063 355 I CA 1.000 62.574 61.300 0.457 0.000 1.328 355 I CB -1.267 36.927 38.000 0.323 0.000 1.058 355 I HN 0.223 nan 8.210 nan 0.000 0.400 356 L N 1.676 123.242 121.223 0.572 0.000 2.123 356 L HA -0.294 4.045 4.340 -0.001 0.000 0.217 356 L C 2.995 180.362 176.870 0.828 0.000 1.081 356 L CA 2.383 57.672 54.840 0.748 0.000 0.772 356 L CB -1.380 40.961 42.059 0.469 0.000 0.890 356 L HN 0.507 nan 8.230 nan 0.000 0.437 357 S N -1.075 115.081 115.700 0.759 0.000 2.359 357 S HA -0.233 4.236 4.470 -0.001 0.000 0.224 357 S C 1.933 176.335 174.600 -0.329 0.000 1.035 357 S CA 1.490 59.228 58.200 -0.769 0.000 1.018 357 S CB -1.042 61.671 63.200 -0.811 0.000 0.876 357 S HN 0.351 nan 8.310 nan 0.000 0.448 358 F N 0.749 120.759 119.950 0.101 0.000 2.748 358 F HA 0.296 4.822 4.527 -0.001 0.000 0.299 358 F C 2.128 177.958 175.800 0.050 0.000 1.154 358 F CA 0.108 58.153 58.000 0.074 0.000 1.446 358 F CB -0.037 39.013 39.000 0.083 0.000 1.112 358 F HN 0.143 nan 8.300 nan 0.000 0.584 359 V N -0.990 119.062 119.914 0.230 0.000 3.431 359 V HA 0.134 4.253 4.120 -0.001 0.000 0.253 359 V C 2.139 178.068 176.094 -0.274 0.000 1.184 359 V CA 1.091 63.407 62.300 0.028 0.000 1.104 359 V CB 0.087 32.021 31.823 0.185 0.000 0.799 359 V HN 0.237 nan 8.190 nan 0.000 0.462 360 A N -0.597 122.220 122.820 -0.005 0.000 2.206 360 A HA 0.022 4.342 4.320 -0.001 0.000 0.211 360 A C 2.101 179.573 177.584 -0.187 0.000 1.158 360 A CA 1.073 53.038 52.037 -0.121 0.000 0.761 360 A CB -0.125 18.861 19.000 -0.024 0.000 0.801 360 A HN 0.321 nan 8.150 nan 0.000 0.473 361 V N -0.129 119.732 119.914 -0.088 0.000 2.300 361 V HA -0.182 3.937 4.120 -0.001 0.000 0.241 361 V C 2.498 178.520 176.094 -0.119 0.000 1.034 361 V CA 1.915 64.195 62.300 -0.034 0.000 1.021 361 V CB -0.699 31.130 31.823 0.011 0.000 0.662 361 V HN 0.537 nan 8.190 nan 0.000 0.458 362 R N 0.131 120.510 120.500 -0.200 0.000 2.139 362 R HA -0.151 4.188 4.340 -0.001 0.000 0.243 362 R C 2.157 178.279 176.300 -0.297 0.000 1.145 362 R CA 1.521 57.465 56.100 -0.260 0.000 0.976 362 R CB -0.523 29.550 30.300 -0.378 0.000 0.866 362 R HN 0.460 nan 8.270 nan 0.000 0.449 363 L N -0.230 120.755 121.223 -0.397 0.000 2.072 363 L HA -0.115 4.225 4.340 -0.001 0.000 0.205 363 L C 2.267 179.148 176.870 0.020 0.000 1.079 363 L CA 0.628 55.312 54.840 -0.260 0.000 0.752 363 L CB -0.519 41.295 42.059 -0.409 0.000 0.906 363 L HN 0.099 nan 8.230 nan 0.000 0.436 364 L N 0.413 121.625 121.223 -0.019 0.000 2.127 364 L HA -0.237 4.102 4.340 -0.001 0.000 0.211 364 L C 2.763 179.667 176.870 0.056 0.000 1.089 364 L CA 1.735 56.633 54.840 0.098 0.000 0.757 364 L CB -0.438 41.625 42.059 0.007 0.000 0.899 364 L HN 0.418 nan 8.230 nan 0.000 0.434 365 Q N -2.105 117.681 119.800 -0.022 0.000 2.424 365 Q HA -0.039 4.301 4.340 -0.001 0.000 0.204 365 Q C 1.944 177.906 176.000 -0.062 0.000 0.933 365 Q CA 0.679 56.461 55.803 -0.035 0.000 0.929 365 Q CB -0.071 28.651 28.738 -0.027 0.000 1.037 365 Q HN 0.453 nan 8.270 nan 0.000 0.511 366 L N 0.164 121.335 121.223 -0.088 0.000 2.298 366 L HA 0.106 4.445 4.340 -0.001 0.000 0.209 366 L C 2.617 179.220 176.870 -0.445 0.000 1.084 366 L CA 0.495 55.270 54.840 -0.109 0.000 0.816 366 L CB -0.037 42.023 42.059 0.002 0.000 0.967 366 L HN 0.094 nan 8.230 nan 0.000 0.460 367 R N 0.013 120.269 120.500 -0.406 0.000 2.090 367 R HA -0.140 4.199 4.340 -0.001 0.000 0.228 367 R C 2.068 178.101 176.300 -0.445 0.000 1.110 367 R CA 1.164 56.836 56.100 -0.714 0.000 0.973 367 R CB 0.041 30.102 30.300 -0.398 0.000 0.869 367 R HN 0.349 nan 8.270 nan 0.000 0.440 368 E N -0.237 119.848 120.200 -0.192 0.000 2.118 368 E HA -0.183 4.167 4.350 -0.001 0.000 0.195 368 E C 1.752 178.304 176.600 -0.080 0.000 0.992 368 E CA 1.163 57.509 56.400 -0.089 0.000 0.804 368 E CB -0.033 29.650 29.700 -0.029 0.000 0.741 368 E HN 0.147 nan 8.360 nan 0.000 0.458 369 S N -0.743 114.899 115.700 -0.096 0.000 2.407 369 S HA -0.208 4.261 4.470 -0.001 0.000 0.235 369 S C 1.443 176.071 174.600 0.046 0.000 1.036 369 S CA 1.328 59.522 58.200 -0.011 0.000 1.013 369 S CB -0.185 63.023 63.200 0.013 0.000 0.820 369 S HN 0.364 nan 8.310 nan 0.000 0.476 370 F N 1.461 121.301 119.950 -0.182 0.000 2.298 370 F HA 0.092 4.618 4.527 -0.001 0.000 0.282 370 F C 2.617 178.370 175.800 -0.077 0.000 1.045 370 F CA 1.762 59.703 58.000 -0.099 0.000 1.280 370 F CB -1.007 37.943 39.000 -0.084 0.000 1.114 370 F HN 0.272 nan 8.300 nan 0.000 0.546 371 T N 0.830 115.328 114.554 -0.093 0.000 2.652 371 T HA -0.261 4.088 4.350 -0.001 0.000 0.267 371 T C 2.234 176.851 174.700 -0.139 0.000 1.039 371 T CA 1.693 63.710 62.100 -0.138 0.000 1.153 371 T CB -1.182 67.648 68.868 -0.063 0.000 0.863 371 T HN 0.311 nan 8.240 nan 0.000 0.428 372 L N 1.657 122.830 121.223 -0.082 0.000 1.976 372 L HA -0.131 4.208 4.340 -0.001 0.000 0.223 372 L C -0.268 176.567 176.870 -0.058 0.000 1.081 372 L CA 2.518 57.334 54.840 -0.040 0.000 0.784 372 L CB -1.455 40.605 42.059 0.001 0.000 0.896 372 L HN 0.231 nan 8.230 nan 0.000 0.438 373 P HA -0.241 nan 4.420 nan 0.000 0.217 373 P C 1.519 178.745 177.300 -0.124 0.000 1.162 373 P CA 1.667 64.715 63.100 -0.086 0.000 0.901 373 P CB -0.112 31.526 31.700 -0.104 0.000 0.793 374 Q N -0.922 118.744 119.800 -0.223 0.000 2.045 374 Q HA -0.235 4.104 4.340 -0.001 0.000 0.206 374 Q C 2.269 178.196 176.000 -0.121 0.000 0.991 374 Q CA 1.984 57.662 55.803 -0.208 0.000 0.851 374 Q CB -0.951 27.619 28.738 -0.281 0.000 0.911 374 Q HN 0.187 nan 8.270 nan 0.000 0.418 375 A N 1.194 123.950 122.820 -0.107 0.000 1.892 375 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 375 A C 2.155 179.713 177.584 -0.044 0.000 1.188 375 A CA 1.474 53.462 52.037 -0.082 0.000 0.631 375 A CB -0.958 17.994 19.000 -0.079 0.000 0.822 375 A HN 0.296 nan 8.150 nan 0.000 0.447 376 L N -1.492 119.723 121.223 -0.013 0.000 1.951 376 L HA -0.313 4.026 4.340 -0.001 0.000 0.222 376 L C 2.803 179.679 176.870 0.010 0.000 1.078 376 L CA 2.212 57.068 54.840 0.027 0.000 0.778 376 L CB -0.697 41.383 42.059 0.035 0.000 0.893 376 L HN 0.359 nan 8.230 nan 0.000 0.436 377 R N -0.252 120.240 120.500 -0.012 0.000 2.143 377 R HA -0.270 4.069 4.340 -0.001 0.000 0.239 377 R C 2.287 178.580 176.300 -0.013 0.000 1.126 377 R CA 2.034 58.127 56.100 -0.013 0.000 0.927 377 R CB -0.837 29.444 30.300 -0.031 0.000 0.860 377 R HN 0.487 nan 8.270 nan 0.000 0.433 378 A N -0.239 122.563 122.820 -0.030 0.000 2.159 378 A HA -0.261 4.058 4.320 -0.001 0.000 0.222 378 A C 1.818 179.388 177.584 -0.024 0.000 1.163 378 A CA 1.836 53.852 52.037 -0.035 0.000 0.664 378 A CB -0.292 18.674 19.000 -0.056 0.000 0.803 378 A HN 0.366 nan 8.150 nan 0.000 0.470 379 Q N -2.683 117.115 119.800 -0.004 0.000 2.179 379 Q HA 0.377 4.717 4.340 -0.001 0.000 0.213 379 Q C 1.179 177.203 176.000 0.040 0.000 0.833 379 Q CA 0.895 56.711 55.803 0.021 0.000 0.990 379 Q CB 0.377 29.139 28.738 0.040 0.000 1.132 379 Q HN 0.836 nan 8.270 nan 0.000 0.493 380 G N 0.200 109.015 108.800 0.025 0.000 2.458 380 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.237 380 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.237 380 G C -0.041 174.878 174.900 0.031 0.000 1.113 380 G CA 0.224 45.340 45.100 0.027 0.000 0.655 380 G HN 0.296 nan 8.290 nan 0.000 0.513 381 L N 1.393 122.643 121.223 0.044 0.000 2.827 381 L HA 0.290 4.629 4.340 -0.001 0.000 0.280 381 L C 1.848 178.738 176.870 0.032 0.000 1.122 381 L CA 0.029 54.894 54.840 0.043 0.000 1.044 381 L CB 0.188 42.285 42.059 0.063 0.000 1.402 381 L HN 0.294 nan 8.230 nan 0.000 0.467 382 L N 2.853 124.092 121.223 0.026 0.000 2.130 382 L HA 0.002 4.341 4.340 -0.001 0.000 0.200 382 L C 2.279 179.168 176.870 0.032 0.000 1.075 382 L CA 0.918 55.773 54.840 0.025 0.000 0.768 382 L CB -0.235 41.837 42.059 0.022 0.000 0.933 382 L HN 0.537 nan 8.230 nan 0.000 0.451 383 K N 0.144 120.563 120.400 0.031 0.000 2.097 383 K HA -0.271 4.048 4.320 -0.001 0.000 0.214 383 K C 1.828 178.461 176.600 0.054 0.000 1.052 383 K CA 1.899 58.210 56.287 0.040 0.000 0.932 383 K CB -0.513 31.999 32.500 0.020 0.000 0.716 383 K HN 0.323 nan 8.250 nan 0.000 0.455 384 E N 0.719 120.935 120.200 0.026 0.000 1.997 384 E HA -0.168 4.181 4.350 -0.001 0.000 0.201 384 E C 2.094 178.734 176.600 0.067 0.000 1.011 384 E CA 1.539 57.949 56.400 0.016 0.000 0.847 384 E CB -0.890 28.814 29.700 0.008 0.000 0.787 384 E HN 0.325 nan 8.360 nan 0.000 0.472 385 A N 1.201 124.050 122.820 0.049 0.000 1.944 385 A HA -0.395 3.924 4.320 -0.001 0.000 0.222 385 A C 2.128 179.749 177.584 0.061 0.000 1.237 385 A CA 2.459 54.520 52.037 0.041 0.000 0.668 385 A CB -0.966 18.043 19.000 0.015 0.000 0.830 385 A HN 0.364 nan 8.150 nan 0.000 0.471 386 E N -2.280 117.961 120.200 0.067 0.000 2.219 386 E HA -0.261 4.088 4.350 -0.001 0.000 0.198 386 E C 1.811 178.476 176.600 0.109 0.000 0.998 386 E CA 1.533 57.978 56.400 0.075 0.000 0.818 386 E CB -0.176 29.566 29.700 0.071 0.000 0.741 386 E HN 0.955 nan 8.360 nan 0.000 0.477 387 H N -1.075 118.010 119.070 0.025 0.000 2.516 387 H HA 0.072 4.627 4.556 -0.001 0.000 0.284 387 H C 1.950 177.300 175.328 0.037 0.000 0.999 387 H CA 0.373 56.441 56.048 0.033 0.000 1.303 387 H CB 0.439 30.220 29.762 0.031 0.000 1.452 387 H HN -0.087 nan 8.280 nan 0.000 0.530 388 V N 1.586 121.619 119.914 0.199 0.000 2.283 388 V HA -0.215 3.904 4.120 -0.001 0.000 0.243 388 V C 2.256 178.402 176.094 0.087 0.000 1.039 388 V CA 2.225 64.606 62.300 0.134 0.000 1.016 388 V CB -0.328 31.544 31.823 0.083 0.000 0.650 388 V HN 0.698 nan 8.190 nan 0.000 0.449 389 E N 0.973 121.216 120.200 0.072 0.000 2.150 389 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 389 E C 1.670 178.316 176.600 0.075 0.000 0.985 389 E CA 1.330 57.774 56.400 0.073 0.000 0.814 389 E CB -0.435 29.299 29.700 0.056 0.000 0.752 389 E HN 0.631 nan 8.360 nan 0.000 0.466 390 S N 0.017 115.747 115.700 0.050 0.000 2.906 390 S HA 0.034 4.503 4.470 -0.001 0.000 0.234 390 S C 0.343 174.939 174.600 -0.006 0.000 0.973 390 S CA -0.431 57.781 58.200 0.020 0.000 1.036 390 S CB -0.141 63.053 63.200 -0.010 0.000 0.798 390 S HN 0.214 nan 8.310 nan 0.000 0.498 391 Q N 2.100 121.918 119.800 0.030 0.000 2.306 391 Q HA 0.449 4.789 4.340 -0.001 0.000 0.241 391 Q C 0.368 176.407 176.000 0.064 0.000 0.948 391 Q CA -0.308 55.514 55.803 0.032 0.000 0.886 391 Q CB 1.084 29.859 28.738 0.062 0.000 1.227 391 Q HN 0.597 nan 8.270 nan 0.000 0.457 392 S N 0.871 116.606 115.700 0.059 0.000 2.598 392 S HA 0.497 4.967 4.470 -0.001 0.000 0.267 392 S C 0.512 175.184 174.600 0.120 0.000 1.189 392 S CA -0.240 58.012 58.200 0.086 0.000 1.010 392 S CB 0.715 63.955 63.200 0.067 0.000 1.084 392 S HN 0.729 nan 8.310 nan 0.000 0.541 393 A N 0.088 122.995 122.820 0.144 0.000 2.035 393 A HA 0.141 4.460 4.320 -0.001 0.000 0.208 393 A C 1.915 179.570 177.584 0.119 0.000 1.206 393 A CA 0.490 52.623 52.037 0.160 0.000 0.773 393 A CB -0.911 18.236 19.000 0.246 0.000 0.878 393 A HN 0.902 nan 8.150 nan 0.000 0.469 394 E N 0.875 121.138 120.200 0.105 0.000 2.284 394 E HA -0.237 4.112 4.350 -0.001 0.000 0.200 394 E C 1.617 178.262 176.600 0.075 0.000 1.008 394 E CA 1.734 58.184 56.400 0.083 0.000 0.829 394 E CB -1.049 28.696 29.700 0.074 0.000 0.744 394 E HN 0.616 nan 8.360 nan 0.000 0.491 395 T N 0.552 115.152 114.554 0.077 0.000 2.643 395 T HA -0.142 4.208 4.350 -0.001 0.000 0.264 395 T C 2.151 176.893 174.700 0.069 0.000 1.045 395 T CA 1.566 63.710 62.100 0.075 0.000 1.155 395 T CB -0.495 68.420 68.868 0.078 0.000 0.863 395 T HN 0.101 nan 8.240 nan 0.000 0.420 396 V N 0.765 120.718 119.914 0.065 0.000 2.492 396 V HA 0.244 4.364 4.120 -0.001 0.000 0.241 396 V C 1.796 177.933 176.094 0.072 0.000 1.041 396 V CA 0.441 62.770 62.300 0.047 0.000 1.057 396 V CB -0.568 31.263 31.823 0.013 0.000 0.711 396 V HN 0.331 nan 8.190 nan 0.000 0.468 397 L N -0.241 121.039 121.223 0.095 0.000 2.506 397 L HA 0.245 4.584 4.340 -0.001 0.000 0.199 397 L C 0.432 177.363 176.870 0.101 0.000 1.178 397 L CA 0.692 55.604 54.840 0.120 0.000 0.868 397 L CB 0.243 42.372 42.059 0.117 0.000 1.451 397 L HN 0.208 nan 8.230 nan 0.000 0.526 398 T N -0.686 113.920 114.554 0.086 0.000 2.933 398 T HA 0.267 4.617 4.350 -0.001 0.000 0.305 398 T C -2.031 172.685 174.700 0.028 0.000 1.092 398 T CA -1.006 61.126 62.100 0.053 0.000 1.008 398 T CB 2.126 71.016 68.868 0.037 0.000 1.102 398 T HN 0.250 nan 8.240 nan 0.000 0.469 399 P HA -0.127 nan 4.420 nan 0.000 0.218 399 P C 1.231 178.509 177.300 -0.036 0.000 1.154 399 P CA 2.029 65.143 63.100 0.023 0.000 0.872 399 P CB -0.023 31.698 31.700 0.037 0.000 0.790 400 D N 0.300 120.644 120.400 -0.094 0.000 2.084 400 D HA -0.198 4.441 4.640 -0.001 0.000 0.196 400 D C 1.777 177.858 176.300 -0.366 0.000 0.985 400 D CA 1.478 55.294 54.000 -0.308 0.000 0.826 400 D CB -1.221 39.414 40.800 -0.275 0.000 0.978 400 D HN 0.373 nan 8.370 nan 0.000 0.456 401 E N -0.776 119.309 120.200 -0.193 0.000 2.265 401 E HA -0.044 4.305 4.350 -0.001 0.000 0.196 401 E C 2.261 178.831 176.600 -0.051 0.000 0.996 401 E CA 0.794 57.109 56.400 -0.141 0.000 0.832 401 E CB -0.316 29.352 29.700 -0.055 0.000 0.756 401 E HN 0.642 nan 8.360 nan 0.000 0.491 402 C N 1.176 120.478 119.300 0.004 0.000 2.544 402 C HA -0.062 4.397 4.460 -0.001 0.000 0.280 402 C C 2.682 177.761 174.990 0.149 0.000 1.295 402 C CA 0.568 59.660 59.018 0.122 0.000 1.702 402 C CB -0.520 27.306 27.740 0.143 0.000 2.090 402 C HN 0.399 nan 8.230 nan 0.000 0.493 403 Q N 0.258 120.094 119.800 0.060 0.000 2.002 403 Q HA -0.248 4.091 4.340 -0.001 0.000 0.204 403 Q C 2.143 178.216 176.000 0.123 0.000 0.988 403 Q CA 1.898 57.761 55.803 0.100 0.000 0.843 403 Q CB -0.759 28.038 28.738 0.098 0.000 0.908 403 Q HN 0.673 nan 8.270 nan 0.000 0.420 404 L N 1.197 122.379 121.223 -0.068 0.000 2.013 404 L HA -0.197 4.142 4.340 -0.001 0.000 0.212 404 L C 2.110 179.040 176.870 0.099 0.000 1.073 404 L CA 1.650 56.462 54.840 -0.047 0.000 0.753 404 L CB -0.905 40.911 42.059 -0.406 0.000 0.890 404 L HN 0.263 nan 8.230 nan 0.000 0.432 405 L N 0.027 121.293 121.223 0.072 0.000 2.362 405 L HA 0.078 4.417 4.340 -0.001 0.000 0.219 405 L C 2.082 179.158 176.870 0.343 0.000 1.134 405 L CA 1.689 56.593 54.840 0.107 0.000 0.807 405 L CB -1.407 40.640 42.059 -0.021 0.000 0.927 405 L HN 0.350 nan 8.230 nan 0.000 0.447 406 G N -1.614 107.445 108.800 0.432 0.000 2.425 406 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.213 406 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.213 406 G C 1.451 176.549 174.900 0.328 0.000 1.201 406 G CA 0.709 46.079 45.100 0.450 0.000 0.799 406 G HN 0.419 nan 8.290 nan 0.000 0.534 407 Y N 1.153 121.548 120.300 0.158 0.000 2.070 407 Y HA -0.089 4.460 4.550 -0.001 0.000 0.280 407 Y C 2.824 178.795 175.900 0.119 0.000 1.148 407 Y CA 1.387 59.560 58.100 0.122 0.000 1.125 407 Y CB -0.471 38.066 38.460 0.129 0.000 0.975 407 Y HN 0.043 nan 8.280 nan 0.000 0.492 408 L N -0.222 121.191 121.223 0.316 0.000 2.064 408 L HA -0.285 4.054 4.340 -0.001 0.000 0.216 408 L C 0.947 177.894 176.870 0.129 0.000 1.077 408 L CA 2.094 57.048 54.840 0.189 0.000 0.766 408 L CB -0.500 41.651 42.059 0.153 0.000 0.890 408 L HN 0.356 nan 8.230 nan 0.000 0.435 409 D N -0.659 119.854 120.400 0.188 0.000 2.590 409 D HA 0.089 4.729 4.640 -0.001 0.000 0.280 409 D C 0.775 177.198 176.300 0.204 0.000 1.197 409 D CA -0.106 54.013 54.000 0.199 0.000 0.967 409 D CB 0.717 41.667 40.800 0.250 0.000 0.987 409 D HN 0.185 nan 8.370 nan 0.000 0.508 410 K N 0.322 120.766 120.400 0.074 0.000 2.054 410 K HA 0.086 4.405 4.320 -0.001 0.000 0.207 410 K C 1.650 178.254 176.600 0.007 0.000 1.031 410 K CA 0.492 56.785 56.287 0.009 0.000 0.952 410 K CB -0.031 32.414 32.500 -0.092 0.000 0.775 410 K HN 0.174 nan 8.250 nan 0.000 0.447 411 G N 2.137 110.934 108.800 -0.006 0.000 3.375 411 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.247 411 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.247 411 G C 0.711 175.623 174.900 0.020 0.000 1.343 411 G CA 0.076 45.174 45.100 -0.004 0.000 1.368 411 G HN 0.146 nan 8.290 nan 0.000 0.549 412 K N 0.172 120.603 120.400 0.052 0.000 2.325 412 K HA 0.083 4.402 4.320 -0.001 0.000 0.203 412 K C 1.163 177.817 176.600 0.090 0.000 1.128 412 K CA -0.043 56.290 56.287 0.077 0.000 0.931 412 K CB 0.171 32.744 32.500 0.122 0.000 1.125 412 K HN 0.474 nan 8.250 nan 0.000 0.487 413 R N 1.505 122.075 120.500 0.117 0.000 2.641 413 R HA 0.249 4.588 4.340 -0.001 0.000 0.269 413 R C 0.824 177.157 176.300 0.056 0.000 1.074 413 R CA 0.085 56.256 56.100 0.118 0.000 1.133 413 R CB 0.952 31.330 30.300 0.130 0.000 1.029 413 R HN -0.074 nan 8.270 nan 0.000 0.488 414 K N 0.588 121.026 120.400 0.064 0.000 2.638 414 K HA 0.144 4.464 4.320 -0.001 0.000 0.207 414 K C 1.878 178.510 176.600 0.053 0.000 1.429 414 K CA -0.359 55.956 56.287 0.045 0.000 0.957 414 K CB 0.361 32.886 32.500 0.042 0.000 1.733 414 K HN 0.445 nan 8.250 nan 0.000 0.474 415 R N 1.299 121.844 120.500 0.074 0.000 2.156 415 R HA 0.136 4.475 4.340 -0.001 0.000 0.207 415 R C -0.384 175.982 176.300 0.111 0.000 1.040 415 R CA 0.524 56.679 56.100 0.091 0.000 1.013 415 R CB 0.365 30.733 30.300 0.114 0.000 0.931 415 R HN -0.128 nan 8.270 nan 0.000 0.465 416 K N 2.043 122.521 120.400 0.131 0.000 2.366 416 K HA 0.040 4.359 4.320 -0.001 0.000 0.279 416 K C 0.322 176.999 176.600 0.128 0.000 1.098 416 K CA 0.525 56.919 56.287 0.179 0.000 1.087 416 K CB 0.424 33.080 32.500 0.260 0.000 0.901 416 K HN 0.262 nan 8.250 nan 0.000 0.463 420 G N -0.019 108.676 108.800 -0.175 0.000 2.157 420 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.239 420 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.239 420 G C 0.632 175.651 174.900 0.199 0.000 0.982 420 G CA 0.901 46.008 45.100 0.012 0.000 0.650 420 G HN 1.947 nan 8.290 nan 0.000 0.527 421 S N -0.836 115.026 115.700 0.269 0.000 2.603 421 S HA 0.559 5.028 4.470 -0.001 0.000 0.268 421 S C 1.655 176.453 174.600 0.330 0.000 1.317 421 S CA 0.213 58.580 58.200 0.277 0.000 1.012 421 S CB 1.143 64.496 63.200 0.254 0.000 0.926 421 S HN 0.899 nan 8.310 nan 0.000 0.539 422 L N 3.618 124.968 121.223 0.211 0.000 2.027 422 L HA -0.030 4.310 4.340 -0.001 0.000 0.206 422 L C 2.573 179.551 176.870 0.181 0.000 1.074 422 L CA 1.822 56.759 54.840 0.161 0.000 0.745 422 L CB -0.801 41.324 42.059 0.109 0.000 0.898 422 L HN 0.855 nan 8.230 nan 0.000 0.433 423 Q N -1.432 118.499 119.800 0.218 0.000 2.062 423 Q HA -0.309 4.031 4.340 -0.001 0.000 0.209 423 Q C 1.906 178.064 176.000 0.265 0.000 0.996 423 Q CA 2.510 58.477 55.803 0.274 0.000 0.859 423 Q CB -0.607 28.304 28.738 0.289 0.000 0.920 423 Q HN 0.694 nan 8.270 nan 0.000 0.415 424 W N 0.927 122.294 121.300 0.112 0.000 2.292 424 W HA -0.331 4.328 4.660 -0.001 0.000 0.330 424 W C 2.275 178.831 176.519 0.061 0.000 1.264 424 W CA 2.348 59.734 57.345 0.069 0.000 1.235 424 W CB -1.150 28.345 29.460 0.058 0.000 1.164 424 W HN 0.175 nan 8.180 nan 0.000 0.461 425 A N 0.212 122.729 122.820 -0.505 0.000 1.894 425 A HA -0.391 3.928 4.320 -0.001 0.000 0.220 425 A C 2.089 179.405 177.584 -0.446 0.000 1.237 425 A CA 2.955 54.520 52.037 -0.787 0.000 0.660 425 A CB -2.117 16.760 19.000 -0.205 0.000 0.835 425 A HN 0.824 nan 8.150 nan 0.000 0.461 426 Y N -0.589 119.551 120.300 -0.267 0.000 2.102 426 Y HA -0.287 4.262 4.550 -0.001 0.000 0.280 426 Y C 2.239 177.986 175.900 -0.256 0.000 1.178 426 Y CA 2.591 60.564 58.100 -0.211 0.000 1.146 426 Y CB -0.612 37.763 38.460 -0.142 0.000 0.968 426 Y HN 0.306 nan 8.280 nan 0.000 0.504 427 M N 0.756 120.021 119.600 -0.558 0.000 2.086 427 M HA -0.086 4.393 4.480 -0.001 0.000 0.261 427 M C 2.431 178.472 176.300 -0.432 0.000 1.067 427 M CA 2.052 56.982 55.300 -0.617 0.000 1.116 427 M CB -1.237 31.185 32.600 -0.298 0.000 1.348 427 M HN 0.434 nan 8.290 nan 0.000 0.407 428 A N 0.447 122.968 122.820 -0.499 0.000 1.849 428 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 428 A C 2.115 179.540 177.584 -0.266 0.000 1.202 428 A CA 2.181 53.983 52.037 -0.391 0.000 0.629 428 A CB -1.321 17.252 19.000 -0.712 0.000 0.834 428 A HN 0.558 nan 8.150 nan 0.000 0.447 429 I N -0.235 120.164 120.570 -0.285 0.000 2.399 429 I HA -0.320 3.849 4.170 -0.001 0.000 0.254 429 I C 2.803 178.842 176.117 -0.131 0.000 1.146 429 I CA 1.346 62.565 61.300 -0.135 0.000 1.412 429 I CB -1.077 36.897 38.000 -0.042 0.000 1.076 429 I HN 0.427 nan 8.210 nan 0.000 0.432 430 A N 1.256 123.912 122.820 -0.272 0.000 1.840 430 A HA -0.165 4.155 4.320 -0.001 0.000 0.214 430 A C 2.465 180.012 177.584 -0.062 0.000 1.198 430 A CA 1.130 53.008 52.037 -0.266 0.000 0.608 430 A CB -0.553 18.076 19.000 -0.618 0.000 0.839 430 A HN 0.248 nan 8.150 nan 0.000 0.443 431 R N -1.023 119.447 120.500 -0.050 0.000 2.115 431 R HA -0.188 4.151 4.340 -0.001 0.000 0.239 431 R C 1.974 178.282 176.300 0.014 0.000 1.133 431 R CA 1.727 57.836 56.100 0.015 0.000 0.935 431 R CB -0.758 29.536 30.300 -0.010 0.000 0.853 431 R HN 0.401 nan 8.270 nan 0.000 0.433 432 L N -0.108 121.109 121.223 -0.010 0.000 2.197 432 L HA -0.167 4.172 4.340 -0.001 0.000 0.215 432 L C 2.184 179.070 176.870 0.028 0.000 1.095 432 L CA 2.067 56.911 54.840 0.006 0.000 0.764 432 L CB -0.724 41.330 42.059 -0.009 0.000 0.897 432 L HN 0.385 nan 8.230 nan 0.000 0.436 433 G N -2.435 106.388 108.800 0.037 0.000 2.683 433 G HA2 0.311 4.270 3.960 -0.001 0.000 0.213 433 G HA3 0.311 4.270 3.960 -0.001 0.000 0.213 433 G C 0.981 175.927 174.900 0.076 0.000 1.142 433 G CA 0.471 45.613 45.100 0.070 0.000 0.793 433 G HN 0.626 nan 8.290 nan 0.000 0.534 434 G N -0.817 108.026 108.800 0.071 0.000 2.337 434 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.134 434 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.134 434 G C -0.166 174.801 174.900 0.112 0.000 1.052 434 G CA -0.470 44.672 45.100 0.070 0.000 0.737 434 G HN 0.336 nan 8.290 nan 0.000 0.485 435 F N 1.436 121.341 119.950 -0.074 0.000 2.556 435 F HA 0.582 5.109 4.527 -0.001 0.000 0.344 435 F C 1.654 177.406 175.800 -0.081 0.000 1.255 435 F CA -0.786 57.155 58.000 -0.099 0.000 1.091 435 F CB 0.604 39.501 39.000 -0.172 0.000 1.325 435 F HN 0.164 nan 8.300 nan 0.000 0.627 436 M N 1.721 121.105 119.600 -0.361 0.000 2.098 436 M HA -0.056 4.423 4.480 -0.001 0.000 0.262 436 M C 0.669 176.608 176.300 -0.602 0.000 1.072 436 M CA 1.202 56.286 55.300 -0.361 0.000 1.133 436 M CB -0.501 31.982 32.600 -0.195 0.000 1.344 436 M HN 0.546 nan 8.290 nan 0.000 0.414 437 D N -0.846 118.976 120.400 -0.963 0.000 3.061 437 D HA -0.136 4.504 4.640 -0.001 0.000 0.252 437 D C 0.842 176.897 176.300 -0.408 0.000 1.080 437 D CA 0.708 54.128 54.000 -0.966 0.000 0.871 437 D CB -1.100 39.095 40.800 -1.008 0.000 1.018 437 D HN 0.295 nan 8.370 nan 0.000 0.425 438 S N 1.275 116.798 115.700 -0.295 0.000 2.326 438 S HA -0.109 4.361 4.470 -0.001 0.000 0.211 438 S C 1.672 176.210 174.600 -0.103 0.000 1.031 438 S CA 1.624 59.729 58.200 -0.158 0.000 0.985 438 S CB 0.077 63.207 63.200 -0.116 0.000 0.961 438 S HN 0.325 nan 8.310 nan 0.000 0.436 439 K N 0.799 121.156 120.400 -0.072 0.000 2.589 439 K HA 0.112 4.431 4.320 -0.001 0.000 0.195 439 K C 0.300 176.895 176.600 -0.008 0.000 1.042 439 K CA 0.335 56.608 56.287 -0.024 0.000 0.940 439 K CB -0.420 32.082 32.500 0.003 0.000 0.776 439 K HN 0.444 nan 8.250 nan 0.000 0.487 440 R N -0.459 120.021 120.500 -0.034 0.000 2.877 440 R HA -0.199 4.140 4.340 -0.001 0.000 0.275 440 R C 0.190 176.529 176.300 0.064 0.000 0.924 440 R CA 0.853 56.952 56.100 -0.001 0.000 0.715 440 R CB -1.683 28.620 30.300 0.005 0.000 1.761 440 R HN 0.525 nan 8.270 nan 0.000 0.498 441 T N -3.011 111.608 114.554 0.109 0.000 3.028 441 T HA 0.294 4.644 4.350 -0.001 0.000 0.250 441 T C 1.384 176.216 174.700 0.220 0.000 0.979 441 T CA 0.490 62.700 62.100 0.183 0.000 1.004 441 T CB 0.908 69.887 68.868 0.185 0.000 1.120 441 T HN 0.979 nan 8.240 nan 0.000 0.482 442 G N 1.982 110.907 108.800 0.207 0.000 2.147 442 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.244 442 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.244 442 G C 0.004 174.846 174.900 -0.096 0.000 1.005 442 G CA 0.277 45.347 45.100 -0.049 0.000 0.713 442 G HN 0.692 nan 8.290 nan 0.000 0.515 443 I N 1.285 121.942 120.570 0.144 0.000 2.555 443 I HA 0.572 4.742 4.170 -0.001 0.000 0.275 443 I C 0.872 176.863 176.117 -0.210 0.000 1.082 443 I CA -0.443 60.867 61.300 0.016 0.000 1.167 443 I CB 1.056 39.131 38.000 0.126 0.000 1.312 443 I HN 0.301 nan 8.210 nan 0.000 0.493 444 A N 3.836 126.127 122.820 -0.883 0.000 2.425 444 A HA 0.506 4.825 4.320 -0.001 0.000 0.242 444 A C 0.654 177.979 177.584 -0.432 0.000 1.077 444 A CA -0.092 51.290 52.037 -1.091 0.000 0.781 444 A CB 0.469 18.666 19.000 -1.338 0.000 1.020 444 A HN 0.674 nan 8.150 nan 0.000 0.494 445 S N 0.300 115.868 115.700 -0.221 0.000 2.669 445 S HA 0.265 4.734 4.470 -0.001 0.000 0.270 445 S C 0.678 175.183 174.600 -0.158 0.000 1.225 445 S CA -0.183 57.884 58.200 -0.222 0.000 0.991 445 S CB 0.163 63.362 63.200 -0.002 0.000 0.987 445 S HN 0.704 nan 8.310 nan 0.000 0.552 446 W N 0.928 122.299 121.300 0.118 0.000 2.342 446 W HA 0.057 4.717 4.660 -0.001 0.000 0.297 446 W C 2.582 179.278 176.519 0.294 0.000 1.213 446 W CA 0.444 57.904 57.345 0.191 0.000 1.251 446 W CB -0.791 28.811 29.460 0.237 0.000 1.136 446 W HN 0.951 nan 8.180 nan 0.000 0.526 447 G N 0.477 109.524 108.800 0.411 0.000 2.433 447 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.216 447 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.216 447 G C 1.653 176.717 174.900 0.273 0.000 1.186 447 G CA 1.603 46.896 45.100 0.322 0.000 0.779 447 G HN 0.314 nan 8.290 nan 0.000 0.543 448 A N 0.503 123.435 122.820 0.186 0.000 1.883 448 A HA 0.016 4.336 4.320 -0.001 0.000 0.217 448 A C 2.482 180.145 177.584 0.131 0.000 1.186 448 A CA 1.521 53.640 52.037 0.136 0.000 0.624 448 A CB -0.504 18.553 19.000 0.095 0.000 0.822 448 A HN 0.363 nan 8.150 nan 0.000 0.444 449 L N -2.591 118.703 121.223 0.118 0.000 1.970 449 L HA -0.236 4.103 4.340 -0.001 0.000 0.212 449 L C 2.630 179.605 176.870 0.176 0.000 1.071 449 L CA 1.744 56.637 54.840 0.088 0.000 0.751 449 L CB -0.568 41.524 42.059 0.054 0.000 0.889 449 L HN 0.627 nan 8.230 nan 0.000 0.432 450 W N 0.356 121.791 121.300 0.226 0.000 2.325 450 W HA -0.223 4.436 4.660 -0.001 0.000 0.299 450 W C 2.540 179.201 176.519 0.237 0.000 1.215 450 W CA 1.278 58.772 57.345 0.248 0.000 1.244 450 W CB -0.171 29.398 29.460 0.183 0.000 1.140 450 W HN 0.175 nan 8.180 nan 0.000 0.523 451 E N -0.473 119.943 120.200 0.360 0.000 1.999 451 E HA -0.136 4.213 4.350 -0.001 0.000 0.194 451 E C 2.559 179.267 176.600 0.178 0.000 0.995 451 E CA 1.704 58.243 56.400 0.231 0.000 0.825 451 E CB -0.968 28.829 29.700 0.163 0.000 0.777 451 E HN 0.152 nan 8.360 nan 0.000 0.459 452 G N 1.052 109.936 108.800 0.141 0.000 2.507 452 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.221 452 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.221 452 G C 1.188 176.153 174.900 0.108 0.000 1.119 452 G CA 0.854 46.006 45.100 0.087 0.000 0.751 452 G HN 0.413 nan 8.290 nan 0.000 0.574 453 W N 1.133 122.439 121.300 0.009 0.000 2.348 453 W HA -0.077 4.582 4.660 -0.001 0.000 0.324 453 W C 2.246 178.792 176.519 0.045 0.000 1.209 453 W CA 1.587 58.927 57.345 -0.009 0.000 1.275 453 W CB -0.384 29.028 29.460 -0.080 0.000 1.175 453 W HN 0.356 nan 8.180 nan 0.000 0.461 454 E N 0.444 120.697 120.200 0.089 0.000 2.187 454 E HA -0.236 4.113 4.350 -0.001 0.000 0.199 454 E C 2.298 178.836 176.600 -0.102 0.000 1.004 454 E CA 1.735 58.128 56.400 -0.013 0.000 0.813 454 E CB -0.397 29.403 29.700 0.166 0.000 0.736 454 E HN 0.317 nan 8.360 nan 0.000 0.468 455 A N 0.912 123.702 122.820 -0.050 0.000 1.855 455 A HA -0.157 4.162 4.320 -0.001 0.000 0.215 455 A C 2.163 179.673 177.584 -0.122 0.000 1.191 455 A CA 1.231 53.238 52.037 -0.051 0.000 0.613 455 A CB -0.677 18.320 19.000 -0.005 0.000 0.829 455 A HN 0.303 nan 8.150 nan 0.000 0.442 456 L N -0.498 120.613 121.223 -0.187 0.000 2.189 456 L HA -0.238 4.102 4.340 -0.001 0.000 0.214 456 L C 2.224 178.897 176.870 -0.329 0.000 1.097 456 L CA 2.232 56.925 54.840 -0.246 0.000 0.764 456 L CB -0.480 41.387 42.059 -0.321 0.000 0.900 456 L HN 0.368 nan 8.230 nan 0.000 0.436 457 Q N -0.718 118.826 119.800 -0.426 0.000 2.083 457 Q HA -0.148 4.191 4.340 -0.001 0.000 0.198 457 Q C 2.431 178.324 176.000 -0.179 0.000 0.969 457 Q CA 1.557 57.138 55.803 -0.371 0.000 0.838 457 Q CB -0.690 27.787 28.738 -0.436 0.000 0.900 457 Q HN 0.655 nan 8.270 nan 0.000 0.436 458 S N 0.945 116.573 115.700 -0.120 0.000 2.363 458 S HA -0.153 4.317 4.470 -0.001 0.000 0.218 458 S C 1.721 176.298 174.600 -0.038 0.000 1.035 458 S CA 1.300 59.465 58.200 -0.057 0.000 1.043 458 S CB -0.026 63.156 63.200 -0.031 0.000 0.986 458 S HN 0.280 nan 8.310 nan 0.000 0.423 459 K N 0.783 121.165 120.400 -0.030 0.000 2.207 459 K HA -0.207 4.112 4.320 -0.001 0.000 0.208 459 K C 2.071 178.686 176.600 0.024 0.000 1.046 459 K CA 1.282 57.574 56.287 0.009 0.000 0.929 459 K CB -0.768 31.739 32.500 0.012 0.000 0.720 459 K HN 0.374 nan 8.250 nan 0.000 0.463 460 L N 1.992 123.190 121.223 -0.042 0.000 1.989 460 L HA -0.220 4.119 4.340 -0.001 0.000 0.211 460 L C 1.800 178.694 176.870 0.040 0.000 1.071 460 L CA 1.770 56.584 54.840 -0.045 0.000 0.749 460 L CB -0.402 41.572 42.059 -0.143 0.000 0.890 460 L HN 0.110 nan 8.230 nan 0.000 0.431 461 D N -0.352 120.054 120.400 0.011 0.000 2.220 461 D HA -0.205 4.434 4.640 -0.001 0.000 0.198 461 D C 1.870 178.203 176.300 0.055 0.000 1.001 461 D CA 1.340 55.357 54.000 0.028 0.000 0.875 461 D CB -0.501 40.305 40.800 0.010 0.000 0.921 461 D HN 0.565 nan 8.370 nan 0.000 0.454 462 G N 0.273 109.114 108.800 0.068 0.000 2.637 462 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.215 462 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.215 462 G C 1.424 176.390 174.900 0.110 0.000 1.289 462 G CA 0.569 45.711 45.100 0.071 0.000 0.816 462 G HN 0.225 nan 8.290 nan 0.000 0.580 463 F N 0.712 120.638 119.950 -0.039 0.000 2.048 463 F HA -0.219 4.307 4.527 -0.001 0.000 0.296 463 F C 2.463 178.242 175.800 -0.035 0.000 1.109 463 F CA 1.725 59.698 58.000 -0.046 0.000 1.214 463 F CB -0.478 38.494 39.000 -0.047 0.000 0.963 463 F HN 0.052 nan 8.300 nan 0.000 0.491 464 L N 0.090 121.552 121.223 0.399 0.000 2.079 464 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 464 L C 2.666 179.591 176.870 0.092 0.000 1.081 464 L CA 1.896 56.876 54.840 0.233 0.000 0.752 464 L CB -1.988 40.154 42.059 0.138 0.000 0.896 464 L HN 0.313 nan 8.230 nan 0.000 0.433 465 A N -0.811 122.046 122.820 0.061 0.000 1.858 465 A HA -0.155 4.165 4.320 -0.001 0.000 0.216 465 A C 2.499 180.072 177.584 -0.017 0.000 1.190 465 A CA 2.032 54.079 52.037 0.017 0.000 0.617 465 A CB -0.998 18.009 19.000 0.012 0.000 0.827 465 A HN 0.417 nan 8.150 nan 0.000 0.443 466 A N -0.375 122.413 122.820 -0.053 0.000 1.849 466 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 466 A C 2.108 179.627 177.584 -0.108 0.000 1.202 466 A CA 2.152 54.127 52.037 -0.104 0.000 0.629 466 A CB -0.769 18.120 19.000 -0.185 0.000 0.834 466 A HN 0.505 nan 8.150 nan 0.000 0.447 467 K N -0.993 119.318 120.400 -0.149 0.000 2.097 467 K HA -0.306 4.013 4.320 -0.001 0.000 0.214 467 K C 1.886 178.461 176.600 -0.042 0.000 1.052 467 K CA 2.038 58.260 56.287 -0.108 0.000 0.932 467 K CB -0.309 32.159 32.500 -0.053 0.000 0.716 467 K HN 0.607 nan 8.250 nan 0.000 0.455 468 D N 0.337 120.727 120.400 -0.016 0.000 2.077 468 D HA -0.141 4.498 4.640 -0.001 0.000 0.193 468 D C 1.887 178.177 176.300 -0.016 0.000 0.989 468 D CA 1.140 55.137 54.000 -0.005 0.000 0.831 468 D CB -0.101 40.702 40.800 0.006 0.000 0.979 468 D HN -0.050 nan 8.370 nan 0.000 0.449 469 L N 0.418 121.628 121.223 -0.022 0.000 1.990 469 L HA -0.170 4.169 4.340 -0.001 0.000 0.213 469 L C 2.524 179.375 176.870 -0.031 0.000 1.072 469 L CA 1.211 56.037 54.840 -0.024 0.000 0.755 469 L CB -1.049 40.993 42.059 -0.028 0.000 0.889 469 L HN 0.169 nan 8.230 nan 0.000 0.432 470 M N -1.148 118.425 119.600 -0.046 0.000 2.254 470 M HA -0.310 4.169 4.480 -0.001 0.000 0.252 470 M C 1.948 178.226 176.300 -0.037 0.000 1.094 470 M CA 2.099 57.367 55.300 -0.054 0.000 1.053 470 M CB -1.309 31.241 32.600 -0.082 0.000 1.371 470 M HN 0.415 nan 8.290 nan 0.000 0.405 471 A N -1.376 121.428 122.820 -0.027 0.000 1.997 471 A HA 0.066 4.386 4.320 -0.001 0.000 0.214 471 A C 1.257 178.833 177.584 -0.013 0.000 1.458 471 A CA 0.258 52.285 52.037 -0.017 0.000 0.692 471 A CB -0.354 18.640 19.000 -0.010 0.000 1.145 471 A HN 0.483 nan 8.150 nan 0.000 0.515 472 Q N 0.000 119.793 119.800 -0.011 0.000 2.315 472 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 472 Q CA 0.000 55.798 55.803 -0.009 0.000 1.022 472 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 472 Q HN 0.000 nan 8.270 nan 0.000 0.481