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 1f4j_1_A DATA FIRST_RESID 24 DATA SEQUENCE ADVLTTGAGN PVGDKLNVIT VGPRGPLLVQ DVVFTDEMAH FDRERIPERV DATA SEQUENCE VHAKGAGAFG YFEVTHDITK YSKAKVFEHI GKKTPIAVRF STVAGESGSA DATA SEQUENCE DTVRDPRGFA VKFYTEDGNW DLVGNNTPIF FIRDPILFPS FIHSQKRNPQ DATA SEQUENCE THLKDPDMVW DFWSLRPESL HQVSFLFSDR GIPDGHRHMN GYGSHTFKLV DATA SEQUENCE NANGEAVYCK FHYKTDQGIK NLSVEDAARL SQEDPDYGIR DLFNAIATGK DATA SEQUENCE YPSWTFYIQV MTFNQAETFP FNPFDLTKVW PHKDYPLIPV GKLVLNRNPV DATA SEQUENCE NYFAEVEQIA FDPSNMPPGI EASPDKMLQG RLFAYPDTHR HRLGPNYLHI DATA SEQUENCE PVNCPYRARV ANYQRDGPMC MQDNQGGAPN YYPNSFGAPE QQPSALEHSI DATA SEQUENCE QYSGEVRRFN TANDDNVTQV RAFYVNVLNE EQRKRLCENI AGHLKDAQIF DATA SEQUENCE IQKKAVKNFT EVHPDYGSHI QALLDKYNA 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.582 177.584 -0.003 0.000 1.274 24 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 24 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 25 D N 0.521 120.919 120.400 -0.004 0.000 2.210 25 D HA 0.475 5.115 4.640 0.000 0.000 0.249 25 D C -0.034 176.262 176.300 -0.006 0.000 1.062 25 D CA 0.129 54.126 54.000 -0.006 0.000 0.891 25 D CB 1.799 42.595 40.800 -0.007 0.000 1.186 25 D HN 0.328 nan 8.370 nan 0.000 0.432 26 V N 3.763 123.674 119.914 -0.006 0.000 2.599 26 V HA -0.089 4.031 4.120 0.000 0.000 0.300 26 V C 0.611 176.701 176.094 -0.007 0.000 1.034 26 V CA -0.146 62.150 62.300 -0.005 0.000 1.115 26 V CB 0.801 32.621 31.823 -0.005 0.000 0.934 26 V HN 0.368 nan 8.190 nan 0.000 0.485 27 L N 7.358 128.578 121.223 -0.006 0.000 2.319 27 L HA 0.510 4.850 4.340 0.000 0.000 0.280 27 L C 0.514 177.379 176.870 -0.008 0.000 1.099 27 L CA 0.756 55.592 54.840 -0.008 0.000 0.828 27 L CB 0.904 42.960 42.059 -0.006 0.000 1.150 27 L HN 0.944 nan 8.230 nan 0.000 0.442 28 T N 0.492 115.039 114.554 -0.012 0.000 2.883 28 T HA 0.746 5.096 4.350 0.000 0.000 0.284 28 T C 0.250 174.941 174.700 -0.015 0.000 1.041 28 T CA -0.171 61.922 62.100 -0.011 0.000 1.007 28 T CB 1.158 70.019 68.868 -0.012 0.000 1.220 28 T HN 0.722 nan 8.240 nan 0.000 0.552 29 T N -2.077 112.471 114.554 -0.011 0.000 2.810 29 T HA 0.506 4.856 4.350 0.000 0.000 0.277 29 T C 1.771 176.458 174.700 -0.020 0.000 0.973 29 T CA -0.201 61.891 62.100 -0.012 0.000 0.949 29 T CB 0.301 69.168 68.868 -0.002 0.000 1.075 29 T HN 0.892 nan 8.240 nan 0.000 0.537 30 G N -0.369 108.417 108.800 -0.023 0.000 2.448 30 G HA2 0.053 4.014 3.960 0.000 0.000 0.219 30 G HA3 0.053 4.014 3.960 0.000 0.000 0.219 30 G C 1.477 176.371 174.900 -0.011 0.000 1.127 30 G CA 0.465 45.549 45.100 -0.027 0.000 0.766 30 G HN 1.063 nan 8.290 nan 0.000 0.552 31 A N -0.371 122.447 122.820 -0.003 0.000 2.238 31 A HA 0.466 4.786 4.320 0.000 0.000 0.208 31 A C 1.977 179.559 177.584 -0.002 0.000 1.177 31 A CA 1.268 53.305 52.037 0.001 0.000 0.804 31 A CB -0.432 18.570 19.000 0.005 0.000 0.823 31 A HN 1.557 nan 8.150 nan 0.000 0.482 32 G N -0.668 108.128 108.800 -0.007 0.000 2.141 32 G HA2 -0.242 3.718 3.960 0.000 0.000 0.231 32 G HA3 -0.242 3.718 3.960 0.000 0.000 0.231 32 G C -0.175 174.722 174.900 -0.004 0.000 0.984 32 G CA 0.051 45.147 45.100 -0.007 0.000 0.660 32 G HN 0.646 nan 8.290 nan 0.000 0.525 33 N N 1.787 120.485 118.700 -0.002 0.000 2.472 33 N HA 0.475 5.215 4.740 0.000 0.000 0.277 33 N C -2.767 172.743 175.510 -0.000 0.000 1.081 33 N CA -1.577 51.473 53.050 0.000 0.000 0.973 33 N CB 1.263 39.752 38.487 0.004 0.000 1.105 33 N HN 0.052 nan 8.380 nan 0.000 0.470 34 P HA -0.008 nan 4.420 nan 0.000 0.267 34 P C -0.726 176.576 177.300 0.003 0.000 1.205 34 P CA -0.004 63.096 63.100 0.000 0.000 0.765 34 P CB 0.700 32.400 31.700 0.000 0.000 0.828 35 V N 4.091 124.007 119.914 0.003 0.000 2.383 35 V HA 0.275 4.395 4.120 0.000 0.000 0.275 35 V C 1.595 177.693 176.094 0.006 0.000 1.036 35 V CA 0.502 62.806 62.300 0.007 0.000 0.889 35 V CB 0.868 32.696 31.823 0.008 0.000 0.985 35 V HN 0.795 nan 8.190 nan 0.000 0.459 36 G N 3.196 112.001 108.800 0.008 0.000 2.396 36 G HA2 -0.045 3.915 3.960 0.000 0.000 0.214 36 G HA3 -0.045 3.915 3.960 0.000 0.000 0.214 36 G C 0.268 175.171 174.900 0.005 0.000 1.166 36 G CA 0.601 45.704 45.100 0.005 0.000 0.793 36 G HN 0.652 nan 8.290 nan 0.000 0.533 37 D N -1.289 119.117 120.400 0.008 0.000 2.613 37 D HA 0.199 4.839 4.640 0.000 0.000 0.230 37 D C -0.490 175.818 176.300 0.015 0.000 1.365 37 D CA -0.536 53.469 54.000 0.007 0.000 0.976 37 D CB 1.146 41.948 40.800 0.004 0.000 1.415 37 D HN -0.028 nan 8.370 nan 0.000 0.589 38 K N 4.022 124.430 120.400 0.014 0.000 2.699 38 K HA 0.294 4.614 4.320 0.000 0.000 0.210 38 K C 0.378 176.990 176.600 0.019 0.000 1.076 38 K CA -0.092 56.209 56.287 0.024 0.000 1.109 38 K CB 0.271 32.782 32.500 0.019 0.000 0.862 38 K HN 0.478 nan 8.250 nan 0.000 0.470 39 L N -0.190 121.039 121.223 0.010 0.000 3.086 39 L HA 0.260 4.600 4.340 0.000 0.000 0.274 39 L C -0.455 176.410 176.870 -0.009 0.000 1.184 39 L CA -0.114 54.727 54.840 0.001 0.000 1.002 39 L CB 0.542 42.599 42.059 -0.004 0.000 1.383 39 L HN 0.061 nan 8.230 nan 0.000 0.582 40 N N -0.168 118.526 118.700 -0.009 0.000 2.369 40 N HA 0.292 5.032 4.740 0.000 0.000 0.287 40 N C -1.266 174.225 175.510 -0.033 0.000 1.067 40 N CA -0.161 52.872 53.050 -0.028 0.000 0.888 40 N CB 3.522 41.995 38.487 -0.024 0.000 1.616 40 N HN -0.296 nan 8.380 nan 0.000 0.482 41 V N 2.154 122.022 119.914 -0.076 0.000 2.785 41 V HA 0.422 4.542 4.120 0.000 0.000 0.300 41 V C 0.253 176.298 176.094 -0.083 0.000 1.062 41 V CA -0.595 61.639 62.300 -0.109 0.000 1.029 41 V CB 1.091 32.746 31.823 -0.281 0.000 1.024 41 V HN 0.486 nan 8.190 nan 0.000 0.477 42 I N 5.336 125.870 120.570 -0.059 0.000 2.452 42 I HA 0.262 4.432 4.170 0.000 0.000 0.287 42 I C 0.487 176.571 176.117 -0.054 0.000 1.079 42 I CA 0.402 61.679 61.300 -0.038 0.000 1.387 42 I CB 0.731 38.724 38.000 -0.011 0.000 1.404 42 I HN 0.788 nan 8.210 nan 0.000 0.522 43 T N 2.591 117.117 114.554 -0.047 0.000 2.906 43 T HA 0.388 4.738 4.350 0.000 0.000 0.295 43 T C -0.389 174.293 174.700 -0.031 0.000 1.075 43 T CA -0.851 61.221 62.100 -0.047 0.000 1.005 43 T CB 1.985 70.819 68.868 -0.056 0.000 1.136 43 T HN 0.269 nan 8.240 nan 0.000 0.498 44 V N 2.211 122.109 119.914 -0.027 0.000 2.326 44 V HA 0.594 4.714 4.120 0.000 0.000 0.249 44 V C 0.710 176.793 176.094 -0.019 0.000 1.114 44 V CA 1.232 63.521 62.300 -0.019 0.000 1.028 44 V CB -1.068 30.746 31.823 -0.015 0.000 1.170 44 V HN 1.863 nan 8.190 nan 0.000 0.494 45 G N 6.889 115.678 108.800 -0.018 0.000 2.758 45 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 45 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 45 G C -1.386 173.501 174.900 -0.021 0.000 1.389 45 G CA -0.205 44.885 45.100 -0.017 0.000 0.845 45 G HN 0.611 nan 8.290 nan 0.000 0.572 46 P HA -0.100 nan 4.420 nan 0.000 0.219 46 P C 1.005 178.290 177.300 -0.025 0.000 1.146 46 P CA 1.195 64.281 63.100 -0.022 0.000 0.808 46 P CB 0.157 31.846 31.700 -0.018 0.000 0.779 47 R N -0.087 120.399 120.500 -0.022 0.000 2.652 47 R HA 0.380 4.720 4.340 0.000 0.000 0.372 47 R C 1.004 177.289 176.300 -0.024 0.000 1.104 47 R CA -0.052 56.034 56.100 -0.023 0.000 1.072 47 R CB 0.523 30.812 30.300 -0.019 0.000 1.367 47 R HN 0.159 nan 8.270 nan 0.000 0.577 48 G N 1.491 110.275 108.800 -0.027 0.000 2.613 48 G HA2 0.515 4.475 3.960 0.000 0.000 0.303 48 G HA3 0.515 4.475 3.960 0.000 0.000 0.303 48 G C -2.391 172.489 174.900 -0.034 0.000 1.312 48 G CA -0.974 44.110 45.100 -0.026 0.000 1.036 48 G HN -0.088 nan 8.290 nan 0.000 0.513 49 P HA 0.257 nan 4.420 nan 0.000 0.274 49 P C -0.631 176.640 177.300 -0.049 0.000 1.256 49 P CA -0.589 62.488 63.100 -0.038 0.000 0.795 49 P CB 1.185 32.869 31.700 -0.026 0.000 1.038 50 L N 0.941 122.125 121.223 -0.065 0.000 2.380 50 L HA 0.253 4.593 4.340 0.000 0.000 0.273 50 L C -0.545 176.299 176.870 -0.043 0.000 1.138 50 L CA -0.101 54.688 54.840 -0.085 0.000 0.832 50 L CB -0.401 41.571 42.059 -0.145 0.000 1.124 50 L HN 0.179 nan 8.230 nan 0.000 0.454 51 L N 4.846 126.050 121.223 -0.032 0.000 2.334 51 L HA 0.336 4.676 4.340 0.000 0.000 0.275 51 L C 1.036 177.925 176.870 0.033 0.000 1.036 51 L CA -0.519 54.322 54.840 0.001 0.000 0.807 51 L CB 1.695 43.754 42.059 0.000 0.000 1.231 51 L HN 0.501 nan 8.230 nan 0.000 0.438 52 V N 1.061 120.999 119.914 0.040 0.000 2.809 52 V HA -0.198 3.922 4.120 0.000 0.000 0.256 52 V C 1.987 178.117 176.094 0.059 0.000 1.080 52 V CA 1.536 63.872 62.300 0.060 0.000 1.102 52 V CB -0.820 31.030 31.823 0.046 0.000 0.705 52 V HN 0.994 nan 8.190 nan 0.000 0.475 53 Q N 0.156 119.981 119.800 0.043 0.000 2.466 53 Q HA -0.054 4.286 4.340 0.000 0.000 0.210 53 Q C 0.565 176.595 176.000 0.050 0.000 0.961 53 Q CA 0.539 56.366 55.803 0.039 0.000 0.953 53 Q CB -0.235 28.518 28.738 0.026 0.000 1.011 53 Q HN 0.494 nan 8.270 nan 0.000 0.516 54 D N 1.219 121.662 120.400 0.071 0.000 2.619 54 D HA 0.070 4.710 4.640 0.000 0.000 0.224 54 D C 0.651 177.033 176.300 0.136 0.000 1.133 54 D CA -0.290 53.768 54.000 0.096 0.000 1.017 54 D CB 0.797 41.657 40.800 0.100 0.000 1.077 54 D HN 0.012 nan 8.370 nan 0.000 0.503 55 V N 2.334 122.300 119.914 0.086 0.000 2.626 55 V HA -0.189 3.931 4.120 0.000 0.000 0.252 55 V C 2.496 178.626 176.094 0.059 0.000 1.067 55 V CA 0.816 63.155 62.300 0.065 0.000 1.081 55 V CB -0.024 31.823 31.823 0.040 0.000 0.686 55 V HN 0.382 nan 8.190 nan 0.000 0.468 56 V N -0.234 119.724 119.914 0.074 0.000 2.287 56 V HA -0.287 3.833 4.120 0.000 0.000 0.248 56 V C 2.156 178.297 176.094 0.079 0.000 1.053 56 V CA 2.590 64.928 62.300 0.063 0.000 1.027 56 V CB -0.752 31.112 31.823 0.068 0.000 0.646 56 V HN 0.602 nan 8.190 nan 0.000 0.447 57 F N 1.590 121.542 119.950 0.004 0.000 2.051 57 F HA -0.206 4.321 4.527 0.000 0.000 0.296 57 F C 2.478 178.288 175.800 0.016 0.000 1.122 57 F CA 2.422 60.424 58.000 0.003 0.000 1.201 57 F CB -0.949 38.050 39.000 -0.002 0.000 0.978 57 F HN 0.129 nan 8.300 nan 0.000 0.472 58 T N -0.117 114.312 114.554 -0.209 0.000 2.684 58 T HA -0.271 4.079 4.350 0.000 0.000 0.267 58 T C 1.505 176.073 174.700 -0.220 0.000 1.036 58 T CA 1.847 63.777 62.100 -0.283 0.000 1.148 58 T CB -0.691 68.157 68.868 -0.033 0.000 0.863 58 T HN 0.466 nan 8.240 nan 0.000 0.436 59 D N 0.845 121.183 120.400 -0.103 0.000 2.092 59 D HA -0.168 4.472 4.640 0.000 0.000 0.193 59 D C 2.165 178.434 176.300 -0.051 0.000 0.994 59 D CA 1.632 55.602 54.000 -0.049 0.000 0.828 59 D CB -0.168 40.623 40.800 -0.015 0.000 0.963 59 D HN 0.571 nan 8.370 nan 0.000 0.450 60 E N -1.263 118.881 120.200 -0.092 0.000 2.072 60 E HA -0.206 4.144 4.350 0.000 0.000 0.191 60 E C 1.984 178.542 176.600 -0.070 0.000 0.985 60 E CA 0.794 57.158 56.400 -0.060 0.000 0.801 60 E CB -0.143 29.521 29.700 -0.060 0.000 0.750 60 E HN 0.252 nan 8.360 nan 0.000 0.452 61 M N 0.919 120.352 119.600 -0.278 0.000 2.132 61 M HA -0.006 4.475 4.480 0.000 0.000 0.263 61 M C 2.049 178.316 176.300 -0.055 0.000 1.065 61 M CA 1.815 56.963 55.300 -0.253 0.000 1.122 61 M CB -0.505 31.662 32.600 -0.722 0.000 1.365 61 M HN 0.183 nan 8.290 nan 0.000 0.411 62 A N -1.010 121.752 122.820 -0.097 0.000 1.908 62 A HA -0.243 4.077 4.320 0.000 0.000 0.218 62 A C 2.341 179.910 177.584 -0.025 0.000 1.181 62 A CA 2.027 54.035 52.037 -0.048 0.000 0.627 62 A CB -1.279 17.693 19.000 -0.048 0.000 0.818 62 A HN 0.721 nan 8.150 nan 0.000 0.445 63 H N -1.739 117.313 119.070 -0.029 0.000 2.326 63 H HA -0.135 4.421 4.556 0.000 0.000 0.301 63 H C 1.955 177.279 175.328 -0.006 0.000 1.081 63 H CA 1.987 58.023 56.048 -0.020 0.000 1.334 63 H CB -0.481 29.272 29.762 -0.015 0.000 1.385 63 H HN 0.509 nan 8.280 nan 0.000 0.504 64 F N 2.273 122.248 119.950 0.041 0.000 2.154 64 F HA -0.226 4.301 4.527 0.000 0.000 0.301 64 F C 1.829 177.595 175.800 -0.057 0.000 1.087 64 F CA 1.792 59.791 58.000 -0.003 0.000 1.274 64 F CB -0.321 38.666 39.000 -0.021 0.000 1.009 64 F HN 0.081 nan 8.300 nan 0.000 0.485 65 D N 0.208 120.539 120.400 -0.116 0.000 2.309 65 D HA -0.103 4.537 4.640 0.000 0.000 0.212 65 D C 1.553 177.702 176.300 -0.251 0.000 0.968 65 D CA 1.001 54.880 54.000 -0.202 0.000 0.882 65 D CB -0.198 40.569 40.800 -0.056 0.000 0.918 65 D HN 0.465 nan 8.370 nan 0.000 0.503 66 R N -0.042 120.291 120.500 -0.277 0.000 2.596 66 R HA 0.197 4.537 4.340 0.000 0.000 0.369 66 R C 1.181 177.306 176.300 -0.291 0.000 1.042 66 R CA -0.133 55.809 56.100 -0.265 0.000 1.120 66 R CB 0.558 30.697 30.300 -0.268 0.000 1.353 66 R HN 0.126 nan 8.270 nan 0.000 0.564 67 E N 1.106 121.111 120.200 -0.325 0.000 2.160 67 E HA -0.103 4.247 4.350 0.000 0.000 0.195 67 E C 0.285 176.725 176.600 -0.267 0.000 0.991 67 E CA 0.971 57.185 56.400 -0.311 0.000 0.810 67 E CB 0.193 29.705 29.700 -0.312 0.000 0.742 67 E HN 0.114 nan 8.360 nan 0.000 0.466 68 R N 1.208 121.593 120.500 -0.191 0.000 2.410 68 R HA 0.355 4.695 4.340 0.000 0.000 0.288 68 R C 0.436 176.730 176.300 -0.010 0.000 1.051 68 R CA -0.169 55.885 56.100 -0.075 0.000 1.021 68 R CB 0.575 30.828 30.300 -0.077 0.000 1.032 68 R HN 0.145 nan 8.270 nan 0.000 0.481 69 I N -1.027 119.592 120.570 0.082 0.000 2.957 69 I HA 0.599 4.769 4.170 0.000 0.000 0.310 69 I C -2.315 173.827 176.117 0.041 0.000 1.063 69 I CA -3.035 58.301 61.300 0.061 0.000 1.033 69 I CB 1.728 39.798 38.000 0.116 0.000 1.230 69 I HN 0.245 nan 8.210 nan 0.000 0.447 70 P HA 0.159 nan 4.420 nan 0.000 0.271 70 P C -1.042 176.276 177.300 0.030 0.000 1.216 70 P CA -0.188 62.915 63.100 0.004 0.000 0.771 70 P CB 0.457 32.134 31.700 -0.037 0.000 0.864 71 E N 2.365 122.598 120.200 0.055 0.000 2.342 71 E HA 0.274 4.624 4.350 0.000 0.000 0.257 71 E C -0.446 176.191 176.600 0.062 0.000 1.150 71 E CA -0.951 55.491 56.400 0.069 0.000 0.926 71 E CB 0.619 30.367 29.700 0.081 0.000 1.074 71 E HN 0.244 nan 8.360 nan 0.000 0.449 72 R N 0.383 120.925 120.500 0.071 0.000 2.698 72 R HA -0.039 4.301 4.340 0.000 0.000 0.266 72 R C 0.987 177.326 176.300 0.065 0.000 1.026 72 R CA 0.060 56.202 56.100 0.069 0.000 1.102 72 R CB 0.425 30.784 30.300 0.098 0.000 0.978 72 R HN 0.511 nan 8.270 nan 0.000 0.436 73 V N 2.979 122.921 119.914 0.047 0.000 2.626 73 V HA -0.085 4.035 4.120 0.000 0.000 0.252 73 V C 0.368 176.494 176.094 0.054 0.000 1.067 73 V CA 1.433 63.760 62.300 0.044 0.000 1.081 73 V CB 0.240 32.080 31.823 0.028 0.000 0.686 73 V HN 0.520 nan 8.190 nan 0.000 0.468 74 V N -3.601 116.375 119.914 0.102 0.000 3.114 74 V HA 0.567 4.687 4.120 0.000 0.000 0.308 74 V C 0.167 176.411 176.094 0.249 0.000 1.168 74 V CA -0.825 61.564 62.300 0.149 0.000 1.015 74 V CB 1.469 33.471 31.823 0.297 0.000 1.050 74 V HN 0.389 nan 8.190 nan 0.000 0.433 75 H N 0.093 119.220 119.070 0.094 0.000 2.862 75 H HA -0.235 4.321 4.556 0.000 0.000 0.290 75 H C 1.582 176.965 175.328 0.092 0.000 1.211 75 H CA 0.795 56.904 56.048 0.103 0.000 1.140 75 H CB -1.085 28.740 29.762 0.105 0.000 1.341 75 H HN 1.145 nan 8.280 nan 0.000 0.392 76 A N 0.593 123.495 122.820 0.137 0.000 1.908 76 A HA -0.131 4.189 4.320 0.000 0.000 0.218 76 A C 1.595 179.265 177.584 0.143 0.000 1.181 76 A CA 1.584 53.696 52.037 0.124 0.000 0.627 76 A CB -0.037 19.014 19.000 0.085 0.000 0.818 76 A HN 0.204 nan 8.150 nan 0.000 0.445 77 K N 0.653 121.132 120.400 0.132 0.000 2.316 77 K HA 0.483 4.803 4.320 0.000 0.000 0.289 77 K C 0.006 176.726 176.600 0.201 0.000 1.070 77 K CA 0.644 57.024 56.287 0.155 0.000 0.928 77 K CB 0.225 32.798 32.500 0.121 0.000 1.039 77 K HN 0.308 nan 8.250 nan 0.000 0.480 78 G N 1.316 110.266 108.800 0.250 0.000 2.725 78 G HA2 0.797 4.757 3.960 0.000 0.000 0.288 78 G HA3 0.797 4.757 3.960 0.000 0.000 0.288 78 G C -1.663 173.445 174.900 0.346 0.000 1.399 78 G CA -0.615 44.640 45.100 0.258 0.000 0.859 78 G HN 0.686 nan 8.290 nan 0.000 0.479 79 A N -0.912 122.067 122.820 0.265 0.000 2.398 79 A HA 0.916 5.236 4.320 0.000 0.000 0.301 79 A C -0.062 177.625 177.584 0.171 0.000 1.041 79 A CA 0.021 52.257 52.037 0.332 0.000 0.711 79 A CB 1.750 20.978 19.000 0.379 0.000 1.240 79 A HN 1.798 nan 8.150 nan 0.000 0.420 80 G N -0.166 108.734 108.800 0.167 0.000 2.533 80 G HA2 0.921 4.881 3.960 0.000 0.000 0.304 80 G HA3 0.921 4.881 3.960 0.000 0.000 0.304 80 G C -0.491 174.413 174.900 0.006 0.000 1.263 80 G CA -0.002 45.079 45.100 -0.032 0.000 0.964 80 G HN 1.883 nan 8.290 nan 0.000 0.479 81 A N -0.361 122.318 122.820 -0.236 0.000 2.568 81 A HA 0.915 5.235 4.320 0.000 0.000 0.291 81 A C -1.989 175.256 177.584 -0.565 0.000 1.159 81 A CA -0.709 51.254 52.037 -0.124 0.000 0.679 81 A CB 1.145 20.178 19.000 0.056 0.000 1.285 81 A HN 0.757 nan 8.150 nan 0.000 0.428 82 F N -1.372 118.575 119.950 -0.006 0.000 2.599 82 F HA 0.798 5.325 4.527 0.000 0.000 0.311 82 F C 0.806 176.594 175.800 -0.020 0.000 1.076 82 F CA 0.408 58.399 58.000 -0.014 0.000 0.937 82 F CB 2.504 41.493 39.000 -0.018 0.000 1.282 82 F HN 1.175 nan 8.300 nan 0.000 0.460 83 G N 0.405 109.299 108.800 0.158 0.000 2.704 83 G HA2 0.492 4.452 3.960 0.000 0.000 0.118 83 G HA3 0.492 4.452 3.960 0.000 0.000 0.118 83 G C -2.043 172.968 174.900 0.186 0.000 1.197 83 G CA -0.168 44.991 45.100 0.098 0.000 1.152 83 G HN 0.900 nan 8.290 nan 0.000 0.571 84 Y N -1.735 118.577 120.300 0.019 0.000 2.689 84 Y HA 0.805 5.355 4.550 0.000 0.000 0.333 84 Y C -1.843 174.111 175.900 0.090 0.000 1.208 84 Y CA -1.986 56.141 58.100 0.043 0.000 1.055 84 Y CB 1.468 39.944 38.460 0.028 0.000 1.304 84 Y HN 0.814 nan 8.280 nan 0.000 0.455 85 F N 1.898 121.918 119.950 0.117 0.000 2.480 85 F HA 0.691 5.218 4.527 0.000 0.000 0.329 85 F C -0.859 175.076 175.800 0.226 0.000 1.091 85 F CA -0.854 57.184 58.000 0.065 0.000 0.972 85 F CB 1.953 41.030 39.000 0.128 0.000 1.150 85 F HN 0.762 nan 8.300 nan 0.000 0.467 86 E N 4.947 124.737 120.200 -0.683 0.000 2.246 86 E HA 0.489 4.839 4.350 0.000 0.000 0.266 86 E C -1.769 174.350 176.600 -0.802 0.000 0.880 86 E CA -0.874 55.235 56.400 -0.485 0.000 0.762 86 E CB 1.960 31.652 29.700 -0.014 0.000 1.180 86 E HN 0.546 nan 8.360 nan 0.000 0.416 87 V N 4.239 123.822 119.914 -0.551 0.000 2.508 87 V HA 0.077 4.197 4.120 0.000 0.000 0.281 87 V C 1.273 177.317 176.094 -0.083 0.000 1.041 87 V CA 0.786 62.926 62.300 -0.267 0.000 1.016 87 V CB 0.882 32.675 31.823 -0.050 0.000 0.984 87 V HN 0.969 nan 8.190 nan 0.000 0.478 88 T N 0.674 115.248 114.554 0.034 0.000 2.999 88 T HA 0.208 4.558 4.350 0.000 0.000 0.247 88 T C 0.565 175.257 174.700 -0.014 0.000 1.012 88 T CA 0.182 62.316 62.100 0.057 0.000 1.048 88 T CB 0.124 69.093 68.868 0.168 0.000 1.020 88 T HN 0.637 nan 8.240 nan 0.000 0.478 89 H N 0.359 119.469 119.070 0.067 0.000 2.754 89 H HA 0.694 5.251 4.556 0.000 0.000 0.352 89 H C -1.204 174.179 175.328 0.091 0.000 1.213 89 H CA -1.077 55.018 56.048 0.079 0.000 1.244 89 H CB 1.073 30.889 29.762 0.089 0.000 1.843 89 H HN 0.061 nan 8.280 nan 0.000 0.587 90 D N 1.448 121.968 120.400 0.200 0.000 2.349 90 D HA 0.141 4.781 4.640 0.000 0.000 0.232 90 D C 0.301 176.660 176.300 0.099 0.000 1.071 90 D CA -0.304 53.771 54.000 0.126 0.000 0.832 90 D CB 0.650 41.494 40.800 0.073 0.000 1.086 90 D HN 0.649 nan 8.370 nan 0.000 0.504 91 I N 0.934 121.551 120.570 0.078 0.000 4.050 91 I HA 0.113 4.283 4.170 0.000 0.000 0.327 91 I C 1.502 177.605 176.117 -0.022 0.000 1.473 91 I CA -0.401 60.925 61.300 0.044 0.000 1.124 91 I CB 0.199 38.233 38.000 0.057 0.000 1.129 91 I HN 0.136 nan 8.210 nan 0.000 0.428 92 T N -0.174 114.379 114.554 -0.002 0.000 2.918 92 T HA -0.216 4.134 4.350 0.000 0.000 0.271 92 T C 1.645 176.309 174.700 -0.060 0.000 1.104 92 T CA 1.866 63.970 62.100 0.006 0.000 1.114 92 T CB -0.543 68.344 68.868 0.031 0.000 0.855 92 T HN 0.735 nan 8.240 nan 0.000 0.518 93 K N -0.347 119.943 120.400 -0.183 0.000 2.366 93 K HA 0.008 4.328 4.320 0.000 0.000 0.198 93 K C 1.377 177.816 176.600 -0.268 0.000 1.044 93 K CA 0.777 56.900 56.287 -0.273 0.000 0.973 93 K CB -0.280 31.966 32.500 -0.423 0.000 0.767 93 K HN 0.393 nan 8.250 nan 0.000 0.475 94 Y N 0.479 120.765 120.300 -0.024 0.000 2.522 94 Y HA 0.271 4.821 4.550 0.000 0.000 0.277 94 Y C 0.731 176.602 175.900 -0.048 0.000 1.104 94 Y CA -0.356 57.721 58.100 -0.038 0.000 1.260 94 Y CB 0.720 39.149 38.460 -0.053 0.000 1.151 94 Y HN 0.033 nan 8.280 nan 0.000 0.539 95 S N 0.036 115.791 115.700 0.091 0.000 2.571 95 S HA 0.331 4.801 4.470 0.000 0.000 0.284 95 S C 0.230 174.882 174.600 0.086 0.000 1.128 95 S CA -0.855 57.386 58.200 0.068 0.000 0.970 95 S CB 0.994 64.221 63.200 0.045 0.000 1.039 95 S HN 0.365 nan 8.310 nan 0.000 0.485 96 K N 2.708 123.148 120.400 0.067 0.000 2.426 96 K HA 0.427 4.747 4.320 0.000 0.000 0.193 96 K C 0.688 177.321 176.600 0.055 0.000 1.028 96 K CA 0.220 56.540 56.287 0.055 0.000 1.047 96 K CB -0.071 32.446 32.500 0.029 0.000 0.821 96 K HN 0.516 nan 8.250 nan 0.000 0.513 97 A N 2.481 125.345 122.820 0.073 0.000 2.561 97 A HA -0.028 4.292 4.320 0.000 0.000 0.251 97 A C 0.675 178.227 177.584 -0.052 0.000 1.062 97 A CA 0.011 52.030 52.037 -0.029 0.000 0.761 97 A CB 0.148 19.083 19.000 -0.109 0.000 0.986 97 A HN 0.375 nan 8.150 nan 0.000 0.510 98 K N 2.244 122.580 120.400 -0.106 0.000 2.113 98 K HA -0.164 4.157 4.320 0.000 0.000 0.208 98 K C 1.737 178.240 176.600 -0.162 0.000 1.047 98 K CA 1.474 57.705 56.287 -0.093 0.000 0.928 98 K CB -0.330 32.122 32.500 -0.080 0.000 0.716 98 K HN 0.602 nan 8.250 nan 0.000 0.446 99 V N 0.806 120.520 119.914 -0.334 0.000 2.660 99 V HA -0.218 3.903 4.120 0.000 0.000 0.257 99 V C 1.004 176.884 176.094 -0.356 0.000 1.088 99 V CA 1.721 63.771 62.300 -0.417 0.000 1.106 99 V CB -0.335 31.051 31.823 -0.728 0.000 0.686 99 V HN 0.200 nan 8.190 nan 0.000 0.481 100 F N -0.476 119.460 119.950 -0.023 0.000 2.678 100 F HA 0.305 4.832 4.527 0.000 0.000 0.305 100 F C 1.816 177.604 175.800 -0.020 0.000 1.090 100 F CA 0.149 58.168 58.000 0.032 0.000 1.272 100 F CB -0.425 38.597 39.000 0.038 0.000 1.060 100 F HN 0.149 nan 8.300 nan 0.000 0.576 101 E N 0.836 121.078 120.200 0.070 0.000 2.217 101 E HA -0.285 4.065 4.350 0.000 0.000 0.219 101 E C -0.056 176.598 176.600 0.091 0.000 1.070 101 E CA 2.265 58.692 56.400 0.046 0.000 0.889 101 E CB -0.117 29.585 29.700 0.004 0.000 0.768 101 E HN 0.668 nan 8.360 nan 0.000 0.465 102 H N -3.642 115.479 119.070 0.084 0.000 3.064 102 H HA 0.375 4.931 4.556 0.000 0.000 0.352 102 H C -0.876 174.484 175.328 0.052 0.000 1.260 102 H CA -0.893 55.190 56.048 0.058 0.000 1.160 102 H CB 0.094 29.873 29.762 0.029 0.000 1.879 102 H HN -0.067 nan 8.280 nan 0.000 0.544 103 I N 2.091 122.788 120.570 0.211 0.000 2.752 103 I HA 0.208 4.378 4.170 0.000 0.000 0.289 103 I C 1.423 177.659 176.117 0.198 0.000 1.197 103 I CA 1.869 63.246 61.300 0.129 0.000 1.432 103 I CB 0.340 38.382 38.000 0.070 0.000 1.359 103 I HN 1.127 nan 8.210 nan 0.000 0.571 104 G N 4.459 113.301 108.800 0.070 0.000 2.195 104 G HA2 -0.279 3.681 3.960 0.000 0.000 0.246 104 G HA3 -0.279 3.681 3.960 0.000 0.000 0.246 104 G C 0.429 175.358 174.900 0.048 0.000 0.984 104 G CA -0.124 45.017 45.100 0.069 0.000 0.633 104 G HN 0.619 nan 8.290 nan 0.000 0.525 105 K N 1.119 121.458 120.400 -0.101 0.000 2.368 105 K HA 0.436 4.756 4.320 0.000 0.000 0.282 105 K C 0.004 176.530 176.600 -0.122 0.000 1.035 105 K CA 0.105 56.257 56.287 -0.226 0.000 0.973 105 K CB 0.190 32.279 32.500 -0.685 0.000 0.957 105 K HN 0.241 nan 8.250 nan 0.000 0.474 106 K N 2.220 122.591 120.400 -0.048 0.000 2.270 106 K HA 0.295 4.615 4.320 0.000 0.000 0.255 106 K C -1.158 175.489 176.600 0.077 0.000 0.936 106 K CA -0.660 55.632 56.287 0.007 0.000 0.809 106 K CB 2.216 34.675 32.500 -0.067 0.000 1.131 106 K HN 0.465 nan 8.250 nan 0.000 0.427 107 T N 3.775 118.455 114.554 0.210 0.000 2.848 107 T HA 0.348 4.698 4.350 0.000 0.000 0.285 107 T C -2.697 172.163 174.700 0.266 0.000 0.995 107 T CA -1.815 60.420 62.100 0.224 0.000 0.970 107 T CB 1.759 70.802 68.868 0.292 0.000 0.976 107 T HN 0.241 nan 8.240 nan 0.000 0.441 108 P HA 0.323 nan 4.420 nan 0.000 0.268 108 P C -0.580 176.915 177.300 0.326 0.000 1.205 108 P CA -0.365 62.884 63.100 0.249 0.000 0.771 108 P CB 0.294 32.096 31.700 0.169 0.000 0.858 109 I N -0.897 119.800 120.570 0.212 0.000 2.934 109 I HA 0.915 5.085 4.170 0.000 0.000 0.306 109 I C -1.292 174.879 176.117 0.090 0.000 1.110 109 I CA -1.561 59.739 61.300 0.001 0.000 1.019 109 I CB 2.644 40.387 38.000 -0.428 0.000 1.227 109 I HN 0.232 nan 8.210 nan 0.000 0.434 110 A N 4.066 126.821 122.820 -0.108 0.000 2.371 110 A HA 0.863 5.183 4.320 0.000 0.000 0.311 110 A C -1.069 176.284 177.584 -0.384 0.000 1.068 110 A CA -0.594 51.239 52.037 -0.339 0.000 0.744 110 A CB 1.776 20.668 19.000 -0.181 0.000 1.239 110 A HN 0.588 nan 8.150 nan 0.000 0.435 111 V N 1.580 121.196 119.914 -0.497 0.000 2.925 111 V HA 0.722 4.842 4.120 0.000 0.000 0.311 111 V C -0.237 175.592 176.094 -0.442 0.000 1.104 111 V CA -0.701 61.345 62.300 -0.423 0.000 0.954 111 V CB 2.228 33.714 31.823 -0.560 0.000 1.022 111 V HN 0.976 nan 8.190 nan 0.000 0.427 112 R N 2.080 122.283 120.500 -0.494 0.000 2.515 112 R HA 0.608 4.948 4.340 0.000 0.000 0.291 112 R C -1.908 174.046 176.300 -0.577 0.000 1.046 112 R CA -0.384 55.470 56.100 -0.410 0.000 0.914 112 R CB 1.303 31.545 30.300 -0.097 0.000 1.191 112 R HN 0.529 nan 8.270 nan 0.000 0.435 113 F N 1.470 121.211 119.950 -0.350 0.000 2.408 113 F HA 0.640 5.167 4.527 0.000 0.000 0.325 113 F C 0.561 176.219 175.800 -0.236 0.000 1.082 113 F CA -0.003 57.711 58.000 -0.476 0.000 1.032 113 F CB 2.019 40.302 39.000 -1.195 0.000 1.259 113 F HN 0.664 nan 8.300 nan 0.000 0.503 114 S N -1.590 114.213 115.700 0.172 0.000 2.645 114 S HA 0.511 4.981 4.470 0.000 0.000 0.268 114 S C -0.792 173.982 174.600 0.290 0.000 1.110 114 S CA -0.810 57.543 58.200 0.255 0.000 0.823 114 S CB 0.799 64.160 63.200 0.268 0.000 1.091 114 S HN 0.775 nan 8.310 nan 0.000 0.466 115 T N -1.056 113.618 114.554 0.200 0.000 2.902 115 T HA 0.764 5.114 4.350 0.000 0.000 0.287 115 T C 0.932 175.571 174.700 -0.100 0.000 1.048 115 T CA 0.029 62.191 62.100 0.102 0.000 0.941 115 T CB 0.429 69.347 68.868 0.083 0.000 1.432 115 T HN 0.887 nan 8.240 nan 0.000 0.586 116 V N -0.380 119.431 119.914 -0.172 0.000 2.950 116 V HA 0.344 4.464 4.120 0.000 0.000 0.231 116 V C 2.780 178.753 176.094 -0.203 0.000 1.205 116 V CA 0.624 62.695 62.300 -0.381 0.000 1.239 116 V CB -1.060 30.616 31.823 -0.245 0.000 1.050 116 V HN 0.990 nan 8.190 nan 0.000 0.498 117 A N 0.772 123.506 122.820 -0.144 0.000 1.970 117 A HA 0.306 4.626 4.320 0.000 0.000 0.216 117 A C 1.597 179.116 177.584 -0.108 0.000 1.170 117 A CA 1.064 53.009 52.037 -0.154 0.000 0.645 117 A CB -0.942 17.945 19.000 -0.189 0.000 0.816 117 A HN 0.581 nan 8.150 nan 0.000 0.447 118 G N 1.144 109.903 108.800 -0.068 0.000 2.491 118 G HA2 0.402 4.362 3.960 0.000 0.000 0.238 118 G HA3 0.402 4.362 3.960 0.000 0.000 0.238 118 G C 0.099 174.990 174.900 -0.016 0.000 1.277 118 G CA -0.210 44.867 45.100 -0.039 0.000 0.851 118 G HN 0.513 nan 8.290 nan 0.000 0.573 119 E N 1.175 121.369 120.200 -0.010 0.000 2.359 119 E HA 0.200 4.550 4.350 0.000 0.000 0.255 119 E C 1.267 177.892 176.600 0.041 0.000 1.191 119 E CA -0.544 55.866 56.400 0.016 0.000 0.952 119 E CB 0.207 29.915 29.700 0.013 0.000 1.152 119 E HN 0.246 nan 8.360 nan 0.000 0.496 120 S N -0.154 115.581 115.700 0.059 0.000 2.444 120 S HA -0.159 4.311 4.470 0.000 0.000 0.244 120 S C 1.391 176.027 174.600 0.060 0.000 1.025 120 S CA 1.680 59.925 58.200 0.075 0.000 0.995 120 S CB -0.369 62.882 63.200 0.086 0.000 0.781 120 S HN 0.746 nan 8.310 nan 0.000 0.496 121 G N 0.693 109.519 108.800 0.043 0.000 3.277 121 G HA2 0.289 4.249 3.960 0.000 0.000 0.243 121 G HA3 0.289 4.249 3.960 0.000 0.000 0.243 121 G C 0.310 175.228 174.900 0.029 0.000 1.107 121 G CA 0.097 45.217 45.100 0.034 0.000 0.771 121 G HN 0.539 nan 8.290 nan 0.000 0.544 122 S N 0.045 115.763 115.700 0.030 0.000 2.617 122 S HA 0.661 5.131 4.470 0.000 0.000 0.259 122 S C 0.541 175.162 174.600 0.035 0.000 1.301 122 S CA -0.025 58.189 58.200 0.023 0.000 0.984 122 S CB 1.502 64.710 63.200 0.013 0.000 0.954 122 S HN 0.629 nan 8.310 nan 0.000 0.572 123 A N 0.437 123.273 122.820 0.027 0.000 2.354 123 A HA 0.398 4.718 4.320 0.000 0.000 0.269 123 A C 0.565 178.177 177.584 0.046 0.000 1.109 123 A CA -0.599 51.458 52.037 0.033 0.000 0.800 123 A CB -0.086 18.923 19.000 0.015 0.000 1.045 123 A HN 0.844 nan 8.150 nan 0.000 0.489 124 D N 0.616 121.056 120.400 0.066 0.000 2.120 124 D HA -0.050 4.590 4.640 0.000 0.000 0.202 124 D C 1.386 177.707 176.300 0.035 0.000 0.972 124 D CA 2.181 56.232 54.000 0.085 0.000 0.837 124 D CB -0.273 40.603 40.800 0.127 0.000 0.989 124 D HN 0.667 nan 8.370 nan 0.000 0.469 125 T N 0.166 114.710 114.554 -0.017 0.000 4.313 125 T HA 0.376 4.726 4.350 0.000 0.000 0.272 125 T C 0.272 174.940 174.700 -0.053 0.000 1.298 125 T CA -0.572 61.478 62.100 -0.084 0.000 1.124 125 T CB -0.932 67.805 68.868 -0.218 0.000 1.352 125 T HN -0.043 nan 8.240 nan 0.000 1.013 126 V N -0.728 119.175 119.914 -0.018 0.000 3.102 126 V HA 0.663 4.783 4.120 0.000 0.000 0.312 126 V C 0.017 176.105 176.094 -0.009 0.000 1.135 126 V CA -1.937 60.357 62.300 -0.011 0.000 1.022 126 V CB 1.896 33.719 31.823 -0.000 0.000 1.056 126 V HN 0.584 nan 8.190 nan 0.000 0.436 127 R N 1.379 121.867 120.500 -0.020 0.000 2.442 127 R HA 0.521 4.861 4.340 0.000 0.000 0.291 127 R C -1.040 175.241 176.300 -0.032 0.000 1.069 127 R CA 0.485 56.553 56.100 -0.054 0.000 1.022 127 R CB 0.113 30.332 30.300 -0.135 0.000 0.976 127 R HN 1.027 nan 8.270 nan 0.000 0.443 128 D N 2.995 123.400 120.400 0.009 0.000 2.997 128 D HA 0.191 4.831 4.640 0.000 0.000 0.276 128 D C -2.810 173.580 176.300 0.150 0.000 1.141 128 D CA -0.778 53.267 54.000 0.074 0.000 0.727 128 D CB 1.459 42.290 40.800 0.051 0.000 1.306 128 D HN 0.228 nan 8.370 nan 0.000 0.439 129 P HA 0.450 nan 4.420 nan 0.000 0.286 129 P C -0.880 176.582 177.300 0.271 0.000 1.293 129 P CA -0.399 62.874 63.100 0.288 0.000 0.770 129 P CB 0.506 32.440 31.700 0.390 0.000 1.206 130 R N -0.103 120.591 120.500 0.324 0.000 2.514 130 R HA 0.460 4.800 4.340 0.000 0.000 0.296 130 R C -0.136 176.397 176.300 0.390 0.000 1.012 130 R CA -0.602 55.703 56.100 0.342 0.000 0.897 130 R CB 1.538 32.036 30.300 0.331 0.000 1.184 130 R HN 0.629 nan 8.270 nan 0.000 0.440 131 G N 1.631 110.693 108.800 0.436 0.000 2.442 131 G HA2 0.307 4.268 3.960 0.000 0.000 0.249 131 G HA3 0.307 4.268 3.960 0.000 0.000 0.249 131 G C -0.838 174.175 174.900 0.188 0.000 1.263 131 G CA 0.050 45.305 45.100 0.258 0.000 0.846 131 G HN 0.397 nan 8.290 nan 0.000 0.555 132 F N 2.714 122.599 119.950 -0.108 0.000 2.710 132 F HA 0.588 5.115 4.527 0.000 0.000 0.345 132 F C 0.288 175.849 175.800 -0.397 0.000 1.362 132 F CA -1.906 55.966 58.000 -0.213 0.000 1.175 132 F CB 0.524 39.518 39.000 -0.011 0.000 1.561 132 F HN 0.638 nan 8.300 nan 0.000 0.593 133 A N 2.834 125.411 122.820 -0.405 0.000 2.328 133 A HA 0.721 5.041 4.320 0.000 0.000 0.284 133 A C -0.997 176.141 177.584 -0.743 0.000 1.160 133 A CA -0.340 51.179 52.037 -0.862 0.000 0.818 133 A CB 0.714 18.599 19.000 -1.857 0.000 1.087 133 A HN 0.304 nan 8.150 nan 0.000 0.504 134 V N 3.256 122.836 119.914 -0.557 0.000 2.483 134 V HA 0.395 4.516 4.120 0.000 0.000 0.297 134 V C 0.000 175.847 176.094 -0.412 0.000 1.027 134 V CA -0.712 61.273 62.300 -0.525 0.000 0.855 134 V CB 1.647 32.934 31.823 -0.893 0.000 0.995 134 V HN 0.922 nan 8.190 nan 0.000 0.424 135 K N 4.452 124.630 120.400 -0.370 0.000 2.293 135 K HA 0.565 4.885 4.320 0.000 0.000 0.267 135 K C -1.607 174.572 176.600 -0.702 0.000 1.010 135 K CA -0.471 55.514 56.287 -0.502 0.000 0.875 135 K CB 0.773 32.855 32.500 -0.697 0.000 1.106 135 K HN 0.467 nan 8.250 nan 0.000 0.450 136 F N 4.313 123.931 119.950 -0.554 0.000 2.361 136 F HA 0.247 4.774 4.527 0.000 0.000 0.364 136 F C -0.406 175.239 175.800 -0.258 0.000 1.120 136 F CA -0.661 57.128 58.000 -0.351 0.000 1.102 136 F CB 0.620 39.429 39.000 -0.319 0.000 1.183 136 F HN 0.425 nan 8.300 nan 0.000 0.476 137 Y N 1.741 122.049 120.300 0.013 0.000 2.568 137 Y HA 0.202 4.752 4.550 0.000 0.000 0.338 137 Y C 1.123 176.960 175.900 -0.106 0.000 1.245 137 Y CA -0.765 57.288 58.100 -0.078 0.000 1.667 137 Y CB -0.470 37.884 38.460 -0.177 0.000 1.568 137 Y HN 0.542 nan 8.280 nan 0.000 0.471 138 T N -2.316 112.265 114.554 0.046 0.000 2.874 138 T HA 0.191 4.541 4.350 0.000 0.000 0.281 138 T C 0.993 175.661 174.700 -0.055 0.000 0.994 138 T CA -0.728 61.364 62.100 -0.012 0.000 1.015 138 T CB 1.157 69.998 68.868 -0.045 0.000 1.028 138 T HN 0.539 nan 8.240 nan 0.000 0.523 139 E N 0.065 120.227 120.200 -0.064 0.000 2.338 139 E HA 0.008 4.358 4.350 0.000 0.000 0.197 139 E C 0.708 177.274 176.600 -0.056 0.000 1.007 139 E CA 0.620 56.981 56.400 -0.065 0.000 0.849 139 E CB -0.007 29.661 29.700 -0.052 0.000 0.774 139 E HN 0.565 nan 8.360 nan 0.000 0.506 140 D N 0.151 120.515 120.400 -0.061 0.000 2.460 140 D HA 0.239 4.879 4.640 0.000 0.000 0.229 140 D C 0.277 176.548 176.300 -0.047 0.000 1.170 140 D CA 0.564 54.529 54.000 -0.057 0.000 0.827 140 D CB 0.087 40.841 40.800 -0.077 0.000 0.973 140 D HN 0.181 nan 8.370 nan 0.000 0.496 141 G N 0.628 109.405 108.800 -0.039 0.000 2.712 141 G HA2 -0.230 3.730 3.960 0.000 0.000 0.683 141 G HA3 -0.230 3.730 3.960 0.000 0.000 0.683 141 G C -0.318 174.576 174.900 -0.010 0.000 1.320 141 G CA -1.054 44.031 45.100 -0.024 0.000 0.847 141 G HN 0.150 nan 8.290 nan 0.000 0.553 142 N N -0.544 118.150 118.700 -0.010 0.000 2.518 142 N HA 0.436 5.176 4.740 0.000 0.000 0.266 142 N C -0.438 175.108 175.510 0.061 0.000 1.196 142 N CA 0.149 53.181 53.050 -0.029 0.000 0.947 142 N CB 0.836 39.255 38.487 -0.113 0.000 1.098 142 N HN 0.700 nan 8.380 nan 0.000 0.450 143 W N 2.646 123.854 121.300 -0.153 0.000 2.411 143 W HA 0.359 5.019 4.660 0.000 0.000 0.317 143 W C -1.410 175.052 176.519 -0.094 0.000 1.030 143 W CA -0.954 56.290 57.345 -0.169 0.000 1.239 143 W CB 0.614 29.881 29.460 -0.322 0.000 1.304 143 W HN 0.314 nan 8.180 nan 0.000 0.437 144 D N 5.871 126.208 120.400 -0.105 0.000 2.392 144 D HA 0.182 4.822 4.640 0.000 0.000 0.228 144 D C -0.926 175.137 176.300 -0.394 0.000 1.074 144 D CA -0.323 53.543 54.000 -0.222 0.000 0.838 144 D CB 1.720 42.504 40.800 -0.026 0.000 1.067 144 D HN 0.357 nan 8.370 nan 0.000 0.511 145 L N 4.442 125.299 121.223 -0.610 0.000 2.314 145 L HA 0.228 4.568 4.340 0.000 0.000 0.275 145 L C -0.814 175.842 176.870 -0.357 0.000 1.068 145 L CA -0.641 53.859 54.840 -0.567 0.000 0.894 145 L CB 0.935 42.482 42.059 -0.853 0.000 1.275 145 L HN 0.072 nan 8.230 nan 0.000 0.432 146 V N 5.474 125.241 119.914 -0.244 0.000 2.276 146 V HA 0.593 4.713 4.120 0.000 0.000 0.249 146 V C 1.007 177.003 176.094 -0.163 0.000 1.160 146 V CA 0.116 62.247 62.300 -0.282 0.000 1.042 146 V CB -0.466 31.166 31.823 -0.318 0.000 1.224 146 V HN 0.795 nan 8.190 nan 0.000 0.496 147 G N 3.856 112.573 108.800 -0.139 0.000 3.075 147 G HA2 0.770 4.730 3.960 0.000 0.000 0.253 147 G HA3 0.770 4.730 3.960 0.000 0.000 0.253 147 G C -0.820 174.071 174.900 -0.015 0.000 1.353 147 G CA -0.717 44.347 45.100 -0.059 0.000 1.051 147 G HN 0.714 nan 8.290 nan 0.000 0.553 148 N N -2.447 116.273 118.700 0.032 0.000 2.972 148 N HA 0.170 4.910 4.740 0.000 0.000 0.262 148 N C 0.260 175.906 175.510 0.227 0.000 1.478 148 N CA -0.706 52.446 53.050 0.170 0.000 0.841 148 N CB 0.546 39.164 38.487 0.218 0.000 1.512 148 N HN 0.371 nan 8.380 nan 0.000 0.548 149 N N -1.366 117.529 118.700 0.325 0.000 2.666 149 N HA -0.067 4.673 4.740 0.000 0.000 0.194 149 N C -0.605 175.105 175.510 0.334 0.000 1.220 149 N CA 0.518 53.813 53.050 0.409 0.000 0.928 149 N CB -0.342 38.392 38.487 0.412 0.000 0.997 149 N HN 0.647 nan 8.380 nan 0.000 0.447 150 T N 0.076 114.624 114.554 -0.010 0.000 2.909 150 T HA 0.354 4.704 4.350 0.000 0.000 0.299 150 T C -2.375 171.770 174.700 -0.926 0.000 1.073 150 T CA -1.809 59.856 62.100 -0.725 0.000 0.999 150 T CB 2.330 70.736 68.868 -0.770 0.000 1.098 150 T HN -0.175 nan 8.240 nan 0.000 0.477 151 P HA 0.184 nan 4.420 nan 0.000 0.231 151 P C 0.499 177.384 177.300 -0.691 0.000 1.168 151 P CA 0.334 62.800 63.100 -1.057 0.000 0.779 151 P CB 0.013 31.068 31.700 -1.075 0.000 0.844 152 I N -5.923 114.214 120.570 -0.722 0.000 3.294 152 I HA 0.706 4.876 4.170 0.000 0.000 0.311 152 I C -0.826 175.055 176.117 -0.393 0.000 1.111 152 I CA -1.508 59.462 61.300 -0.550 0.000 0.976 152 I CB 1.630 39.218 38.000 -0.686 0.000 1.260 152 I HN -0.308 nan 8.210 nan 0.000 0.474 153 F N -0.371 119.281 119.950 -0.497 0.000 2.692 153 F HA 0.530 5.057 4.527 0.000 0.000 0.320 153 F C -0.119 175.408 175.800 -0.454 0.000 1.123 153 F CA -0.957 56.771 58.000 -0.453 0.000 0.961 153 F CB 1.756 40.634 39.000 -0.203 0.000 1.383 153 F HN 0.408 nan 8.300 nan 0.000 0.483 154 F N 1.991 121.392 119.950 -0.915 0.000 2.325 154 F HA 0.126 4.653 4.527 0.000 0.000 0.299 154 F C 0.747 176.390 175.800 -0.261 0.000 1.090 154 F CA 0.866 58.484 58.000 -0.637 0.000 1.392 154 F CB -0.242 38.190 39.000 -0.946 0.000 1.053 154 F HN 0.139 nan 8.300 nan 0.000 0.521 155 I N -1.809 118.869 120.570 0.181 0.000 3.042 155 I HA 0.503 4.673 4.170 0.000 0.000 0.310 155 I C 0.291 176.547 176.117 0.232 0.000 1.117 155 I CA -1.145 60.286 61.300 0.219 0.000 1.003 155 I CB 2.453 40.634 38.000 0.301 0.000 1.228 155 I HN -0.034 nan 8.210 nan 0.000 0.443 156 R N 0.347 120.943 120.500 0.160 0.000 2.565 156 R HA 0.406 4.746 4.340 0.000 0.000 0.347 156 R C -0.791 175.582 176.300 0.122 0.000 1.010 156 R CA -0.367 55.809 56.100 0.128 0.000 1.126 156 R CB 0.360 30.710 30.300 0.084 0.000 1.331 156 R HN 0.683 nan 8.270 nan 0.000 0.552 157 D N 1.750 122.239 120.400 0.149 0.000 2.686 157 D HA 0.170 4.810 4.640 0.000 0.000 0.249 157 D C -1.861 174.537 176.300 0.163 0.000 1.260 157 D CA -2.098 51.980 54.000 0.130 0.000 0.910 157 D CB 2.484 43.355 40.800 0.119 0.000 1.323 157 D HN -0.153 nan 8.370 nan 0.000 0.561 158 P HA -0.141 nan 4.420 nan 0.000 0.220 158 P C 1.666 179.076 177.300 0.185 0.000 1.144 158 P CA 0.513 63.693 63.100 0.133 0.000 0.800 158 P CB 0.608 32.341 31.700 0.054 0.000 0.772 159 I N -0.913 119.748 120.570 0.151 0.000 3.001 159 I HA -0.083 4.087 4.170 0.000 0.000 0.268 159 I C 1.902 178.123 176.117 0.174 0.000 1.267 159 I CA 0.487 61.870 61.300 0.138 0.000 1.472 159 I CB -0.031 38.027 38.000 0.096 0.000 1.089 159 I HN -0.135 nan 8.210 nan 0.000 0.468 160 L N -0.822 120.545 121.223 0.239 0.000 2.529 160 L HA -0.053 4.287 4.340 0.000 0.000 0.223 160 L C 2.053 179.119 176.870 0.326 0.000 1.113 160 L CA 0.680 55.703 54.840 0.305 0.000 0.861 160 L CB -0.665 41.620 42.059 0.376 0.000 1.012 160 L HN 0.260 nan 8.230 nan 0.000 0.461 161 F N 2.718 122.778 119.950 0.183 0.000 2.046 161 F HA -0.167 4.360 4.527 0.000 0.000 0.297 161 F C -0.375 175.462 175.800 0.062 0.000 1.123 161 F CA 2.035 60.156 58.000 0.201 0.000 1.199 161 F CB -1.053 38.039 39.000 0.153 0.000 0.972 161 F HN 0.075 nan 8.300 nan 0.000 0.474 162 P HA -0.155 nan 4.420 nan 0.000 0.216 162 P C 1.727 178.628 177.300 -0.667 0.000 1.150 162 P CA 2.214 65.082 63.100 -0.387 0.000 0.837 162 P CB -0.052 31.500 31.700 -0.247 0.000 0.786 163 S N -1.389 114.079 115.700 -0.387 0.000 2.368 163 S HA -0.129 4.341 4.470 0.000 0.000 0.224 163 S C 1.595 175.806 174.600 -0.648 0.000 1.029 163 S CA 0.818 58.800 58.200 -0.363 0.000 0.988 163 S CB -1.112 62.065 63.200 -0.039 0.000 0.838 163 S HN 0.137 nan 8.310 nan 0.000 0.462 164 F N 2.705 122.114 119.950 -0.901 0.000 2.134 164 F HA -0.100 4.427 4.527 0.000 0.000 0.299 164 F C 1.748 177.053 175.800 -0.824 0.000 1.097 164 F CA 1.060 58.328 58.000 -1.220 0.000 1.264 164 F CB -0.369 38.253 39.000 -0.630 0.000 1.001 164 F HN 0.080 nan 8.300 nan 0.000 0.479 165 I N 0.353 120.329 120.570 -0.989 0.000 2.252 165 I HA -0.271 3.899 4.170 0.000 0.000 0.245 165 I C 2.524 178.305 176.117 -0.560 0.000 1.102 165 I CA 1.505 62.268 61.300 -0.894 0.000 1.385 165 I CB -1.745 35.822 38.000 -0.722 0.000 1.064 165 I HN 0.318 nan 8.210 nan 0.000 0.414 166 H N 0.720 119.470 119.070 -0.533 0.000 2.290 166 H HA -0.155 4.401 4.556 0.000 0.000 0.298 166 H C 2.418 177.475 175.328 -0.451 0.000 1.087 166 H CA 1.721 57.534 56.048 -0.391 0.000 1.291 166 H CB 0.065 29.660 29.762 -0.279 0.000 1.369 166 H HN 0.357 nan 8.280 nan 0.000 0.492 167 S N 0.558 116.002 115.700 -0.426 0.000 2.493 167 S HA -0.152 4.318 4.470 0.000 0.000 0.243 167 S C 1.747 175.989 174.600 -0.597 0.000 0.991 167 S CA 0.978 58.885 58.200 -0.488 0.000 0.957 167 S CB 0.001 62.839 63.200 -0.602 0.000 0.756 167 S HN 0.378 nan 8.310 nan 0.000 0.521 168 Q N 0.552 119.925 119.800 -0.711 0.000 2.402 168 Q HA 0.325 4.665 4.340 0.000 0.000 0.206 168 Q C 0.562 176.301 176.000 -0.435 0.000 0.919 168 Q CA 0.561 55.953 55.803 -0.684 0.000 0.923 168 Q CB 0.296 28.491 28.738 -0.905 0.000 1.048 168 Q HN 0.662 nan 8.270 nan 0.000 0.515 169 K N 0.133 120.315 120.400 -0.364 0.000 2.531 169 K HA 0.412 4.732 4.320 0.000 0.000 0.265 169 K C -0.015 176.435 176.600 -0.249 0.000 1.045 169 K CA -0.816 55.307 56.287 -0.274 0.000 1.040 169 K CB 0.735 33.094 32.500 -0.236 0.000 1.436 169 K HN -0.132 nan 8.250 nan 0.000 0.571 170 R N 1.723 122.071 120.500 -0.253 0.000 2.643 170 R HA 0.021 4.362 4.340 0.000 0.000 0.270 170 R C 0.307 176.498 176.300 -0.183 0.000 1.061 170 R CA -0.373 55.573 56.100 -0.256 0.000 1.107 170 R CB 0.059 30.095 30.300 -0.441 0.000 0.999 170 R HN 0.468 nan 8.270 nan 0.000 0.460 171 N N 3.783 122.402 118.700 -0.134 0.000 2.454 171 N HA -0.033 4.707 4.740 0.000 0.000 0.260 171 N C -1.506 173.972 175.510 -0.053 0.000 1.218 171 N CA -1.164 51.834 53.050 -0.087 0.000 0.904 171 N CB 0.918 39.371 38.487 -0.057 0.000 1.065 171 N HN 0.377 nan 8.380 nan 0.000 0.462 172 P HA -0.191 nan 4.420 nan 0.000 0.220 172 P C 0.825 178.118 177.300 -0.012 0.000 1.144 172 P CA 1.447 64.517 63.100 -0.050 0.000 0.800 172 P CB 0.422 32.073 31.700 -0.081 0.000 0.772 173 Q N 0.089 119.884 119.800 -0.007 0.000 2.388 173 Q HA -0.028 4.312 4.340 0.000 0.000 0.204 173 Q C 2.113 178.124 176.000 0.019 0.000 0.946 173 Q CA 1.451 57.254 55.803 -0.000 0.000 0.880 173 Q CB -0.305 28.430 28.738 -0.006 0.000 0.997 173 Q HN 0.184 nan 8.270 nan 0.000 0.552 174 T N -2.969 111.599 114.554 0.023 0.000 3.043 174 T HA -0.065 4.285 4.350 0.000 0.000 0.263 174 T C 0.275 175.037 174.700 0.104 0.000 1.094 174 T CA 0.996 63.118 62.100 0.037 0.000 1.127 174 T CB -0.235 68.640 68.868 0.011 0.000 0.905 174 T HN 0.636 nan 8.240 nan 0.000 0.490 175 H N 0.036 119.075 119.070 -0.052 0.000 2.886 175 H HA -0.090 4.466 4.556 0.000 0.000 0.294 175 H C -0.918 174.377 175.328 -0.054 0.000 1.246 175 H CA 0.316 56.330 56.048 -0.057 0.000 1.142 175 H CB -2.236 27.498 29.762 -0.046 0.000 1.358 175 H HN 0.573 nan 8.280 nan 0.000 0.406 176 L N 0.230 121.396 121.223 -0.095 0.000 2.341 176 L HA 0.438 4.779 4.340 0.000 0.000 0.267 176 L C 0.445 177.235 176.870 -0.133 0.000 1.009 176 L CA -1.425 53.349 54.840 -0.111 0.000 0.819 176 L CB 1.454 43.480 42.059 -0.054 0.000 1.323 176 L HN -0.083 nan 8.230 nan 0.000 0.425 177 K N 1.783 122.105 120.400 -0.130 0.000 2.484 177 K HA 0.036 4.356 4.320 0.000 0.000 0.280 177 K C -0.825 175.715 176.600 -0.100 0.000 1.013 177 K CA 0.298 56.509 56.287 -0.125 0.000 1.029 177 K CB 0.355 32.794 32.500 -0.101 0.000 0.902 177 K HN 0.435 nan 8.250 nan 0.000 0.481 178 D N 4.254 124.591 120.400 -0.105 0.000 2.462 178 D HA 0.258 4.898 4.640 0.000 0.000 0.245 178 D C -2.004 174.269 176.300 -0.046 0.000 1.122 178 D CA -2.342 51.614 54.000 -0.073 0.000 0.864 178 D CB 1.577 42.332 40.800 -0.075 0.000 1.098 178 D HN 0.027 nan 8.370 nan 0.000 0.541 179 P HA -0.082 nan 4.420 nan 0.000 0.219 179 P C 0.647 178.054 177.300 0.177 0.000 1.146 179 P CA 0.772 63.962 63.100 0.150 0.000 0.808 179 P CB 0.498 32.251 31.700 0.087 0.000 0.779 180 D N -1.462 118.977 120.400 0.066 0.000 2.123 180 D HA -0.070 4.570 4.640 0.000 0.000 0.200 180 D C 1.931 178.243 176.300 0.020 0.000 0.976 180 D CA 1.170 55.198 54.000 0.047 0.000 0.831 180 D CB -0.500 40.313 40.800 0.022 0.000 0.974 180 D HN 0.197 nan 8.370 nan 0.000 0.469 181 M N 0.222 119.800 119.600 -0.037 0.000 2.117 181 M HA -0.126 4.354 4.480 0.000 0.000 0.262 181 M C 2.325 178.496 176.300 -0.215 0.000 1.065 181 M CA 0.855 56.097 55.300 -0.097 0.000 1.114 181 M CB -0.159 32.358 32.600 -0.139 0.000 1.361 181 M HN -0.103 nan 8.290 nan 0.000 0.408 182 V N -0.966 118.755 119.914 -0.321 0.000 2.261 182 V HA -0.258 3.862 4.120 0.000 0.000 0.246 182 V C 1.689 177.298 176.094 -0.808 0.000 1.047 182 V CA 2.041 63.896 62.300 -0.743 0.000 1.015 182 V CB -0.737 30.629 31.823 -0.763 0.000 0.642 182 V HN 0.571 nan 8.190 nan 0.000 0.446 183 W N -0.207 121.017 121.300 -0.127 0.000 2.737 183 W HA 0.061 4.721 4.660 0.000 0.000 0.262 183 W C 2.166 178.691 176.519 0.010 0.000 1.282 183 W CA 0.645 57.999 57.345 0.014 0.000 1.386 183 W CB -0.244 29.242 29.460 0.043 0.000 1.099 183 W HN 0.287 nan 8.180 nan 0.000 0.621 184 D N -0.058 120.427 120.400 0.142 0.000 2.144 184 D HA -0.236 4.404 4.640 0.000 0.000 0.200 184 D C 1.825 178.208 176.300 0.138 0.000 0.978 184 D CA 1.175 55.238 54.000 0.106 0.000 0.833 184 D CB -0.308 40.548 40.800 0.094 0.000 0.961 184 D HN 0.081 nan 8.370 nan 0.000 0.470 185 F N -0.386 119.543 119.950 -0.034 0.000 2.084 185 F HA -0.065 4.462 4.527 0.000 0.000 0.296 185 F C 1.717 177.586 175.800 0.115 0.000 1.111 185 F CA 1.197 59.189 58.000 -0.013 0.000 1.224 185 F CB -0.296 38.627 39.000 -0.129 0.000 0.991 185 F HN 0.023 nan 8.300 nan 0.000 0.471 186 W N 0.874 122.218 121.300 0.073 0.000 2.392 186 W HA -0.111 4.549 4.660 0.000 0.000 0.279 186 W C 2.937 179.415 176.519 -0.069 0.000 1.225 186 W CA 1.482 58.802 57.345 -0.042 0.000 1.233 186 W CB -1.631 27.767 29.460 -0.103 0.000 1.122 186 W HN 0.257 nan 8.180 nan 0.000 0.561 187 S N -0.578 115.256 115.700 0.223 0.000 2.425 187 S HA -0.055 4.415 4.470 0.000 0.000 0.225 187 S C 1.832 176.434 174.600 0.004 0.000 1.024 187 S CA 0.664 58.925 58.200 0.102 0.000 0.951 187 S CB -0.815 62.461 63.200 0.126 0.000 0.796 187 S HN 0.213 nan 8.310 nan 0.000 0.498 188 L N 0.291 121.495 121.223 -0.032 0.000 2.395 188 L HA 0.229 4.569 4.340 0.000 0.000 0.218 188 L C 0.697 177.476 176.870 -0.153 0.000 1.130 188 L CA 0.355 55.149 54.840 -0.075 0.000 0.826 188 L CB -0.053 41.964 42.059 -0.070 0.000 0.941 188 L HN 0.112 nan 8.230 nan 0.000 0.451 189 R N 0.288 120.657 120.500 -0.219 0.000 2.494 189 R HA 0.227 4.567 4.340 0.000 0.000 0.284 189 R C -1.981 174.240 176.300 -0.132 0.000 1.525 189 R CA -1.793 54.171 56.100 -0.227 0.000 1.460 189 R CB 0.314 30.343 30.300 -0.451 0.000 1.134 189 R HN -0.078 nan 8.270 nan 0.000 0.592 190 P HA -0.167 nan 4.420 nan 0.000 0.228 190 P C 0.830 178.059 177.300 -0.118 0.000 1.151 190 P CA 0.885 63.907 63.100 -0.129 0.000 0.770 190 P CB 0.406 32.033 31.700 -0.122 0.000 0.786 191 E N 1.198 121.347 120.200 -0.085 0.000 2.401 191 E HA -0.134 4.216 4.350 0.000 0.000 0.199 191 E C 1.516 178.066 176.600 -0.083 0.000 1.023 191 E CA 1.447 57.808 56.400 -0.066 0.000 0.859 191 E CB -0.961 28.721 29.700 -0.029 0.000 0.780 191 E HN 0.362 nan 8.360 nan 0.000 0.523 192 S N 0.683 116.321 115.700 -0.103 0.000 2.489 192 S HA -0.011 4.460 4.470 0.000 0.000 0.228 192 S C 2.121 176.591 174.600 -0.217 0.000 0.995 192 S CA 0.200 58.311 58.200 -0.147 0.000 0.934 192 S CB -0.613 62.476 63.200 -0.184 0.000 0.771 192 S HN 0.221 nan 8.310 nan 0.000 0.522 193 L N 1.039 122.151 121.223 -0.185 0.000 2.010 193 L HA -0.265 4.075 4.340 0.000 0.000 0.219 193 L C 2.831 179.697 176.870 -0.007 0.000 1.077 193 L CA 2.388 57.146 54.840 -0.136 0.000 0.773 193 L CB -1.008 40.973 42.059 -0.130 0.000 0.892 193 L HN 0.498 nan 8.230 nan 0.000 0.436 194 H N -0.879 118.094 119.070 -0.162 0.000 2.251 194 H HA -0.282 4.274 4.556 0.000 0.000 0.294 194 H C 2.397 177.537 175.328 -0.313 0.000 1.078 194 H CA 1.698 57.619 56.048 -0.212 0.000 1.246 194 H CB 0.192 29.799 29.762 -0.257 0.000 1.358 194 H HN 0.206 nan 8.280 nan 0.000 0.488 195 Q N 0.674 120.235 119.800 -0.399 0.000 2.226 195 Q HA -0.086 4.254 4.340 0.000 0.000 0.204 195 Q C 2.172 177.901 176.000 -0.452 0.000 0.975 195 Q CA 1.264 56.653 55.803 -0.690 0.000 0.866 195 Q CB -0.292 27.678 28.738 -1.281 0.000 0.915 195 Q HN 0.370 nan 8.270 nan 0.000 0.440 196 V N -0.278 119.493 119.914 -0.238 0.000 2.453 196 V HA -0.165 3.955 4.120 0.000 0.000 0.247 196 V C 2.143 178.413 176.094 0.293 0.000 1.048 196 V CA 1.721 64.032 62.300 0.019 0.000 1.049 196 V CB -0.486 31.203 31.823 -0.223 0.000 0.672 196 V HN 0.314 nan 8.190 nan 0.000 0.457 197 S N -0.314 115.540 115.700 0.258 0.000 2.383 197 S HA -0.145 4.325 4.470 0.000 0.000 0.227 197 S C 1.756 176.533 174.600 0.295 0.000 1.026 197 S CA 1.579 60.028 58.200 0.415 0.000 0.981 197 S CB -0.373 63.126 63.200 0.498 0.000 0.818 197 S HN 0.613 nan 8.310 nan 0.000 0.472 198 F N 2.038 121.889 119.950 -0.164 0.000 2.113 198 F HA -0.011 4.516 4.527 0.000 0.000 0.297 198 F C 1.901 177.700 175.800 -0.002 0.000 1.103 198 F CA 0.871 58.746 58.000 -0.208 0.000 1.248 198 F CB -0.374 38.337 39.000 -0.482 0.000 0.999 198 F HN 0.140 nan 8.300 nan 0.000 0.475 199 L N -0.465 120.855 121.223 0.162 0.000 2.083 199 L HA -0.160 4.180 4.340 0.000 0.000 0.209 199 L C 1.512 178.350 176.870 -0.053 0.000 1.083 199 L CA 1.890 56.778 54.840 0.079 0.000 0.752 199 L CB -0.990 41.158 42.059 0.148 0.000 0.899 199 L HN 0.116 nan 8.230 nan 0.000 0.433 200 F N -0.602 119.414 119.950 0.110 0.000 2.773 200 F HA 0.185 4.712 4.527 0.000 0.000 0.304 200 F C 1.587 177.433 175.800 0.076 0.000 1.129 200 F CA 0.218 58.294 58.000 0.126 0.000 1.378 200 F CB -0.536 38.580 39.000 0.194 0.000 1.095 200 F HN 0.175 nan 8.300 nan 0.000 0.565 201 S N -1.180 114.595 115.700 0.125 0.000 2.713 201 S HA 0.152 4.622 4.470 0.000 0.000 0.277 201 S C 1.154 175.725 174.600 -0.048 0.000 1.168 201 S CA -0.719 57.511 58.200 0.049 0.000 0.994 201 S CB 0.887 64.114 63.200 0.045 0.000 1.054 201 S HN 0.060 nan 8.310 nan 0.000 0.555 202 D N 1.018 121.387 120.400 -0.052 0.000 2.149 202 D HA -0.121 4.519 4.640 0.000 0.000 0.194 202 D C 1.817 178.061 176.300 -0.094 0.000 1.001 202 D CA 1.196 55.163 54.000 -0.055 0.000 0.849 202 D CB -0.291 40.483 40.800 -0.043 0.000 0.939 202 D HN 0.426 nan 8.370 nan 0.000 0.449 203 R N 0.567 120.951 120.500 -0.193 0.000 2.397 203 R HA -0.020 4.320 4.340 0.000 0.000 0.213 203 R C 2.045 178.246 176.300 -0.165 0.000 1.102 203 R CA 0.607 56.573 56.100 -0.224 0.000 1.040 203 R CB -1.151 28.815 30.300 -0.558 0.000 0.844 203 R HN 0.245 nan 8.270 nan 0.000 0.478 204 G N 0.503 109.213 108.800 -0.151 0.000 2.471 204 G HA2 -0.068 3.892 3.960 0.000 0.000 0.219 204 G HA3 -0.068 3.892 3.960 0.000 0.000 0.219 204 G C 0.833 175.719 174.900 -0.022 0.000 1.125 204 G CA 0.130 45.182 45.100 -0.080 0.000 0.775 204 G HN 0.292 nan 8.290 nan 0.000 0.548 205 I N 1.960 122.519 120.570 -0.019 0.000 2.867 205 I HA 0.206 4.376 4.170 0.000 0.000 0.282 205 I C -2.497 173.620 176.117 0.000 0.000 1.437 205 I CA -1.829 59.466 61.300 -0.009 0.000 0.918 205 I CB 2.060 40.040 38.000 -0.033 0.000 1.612 205 I HN -0.110 nan 8.210 nan 0.000 0.592 206 P HA -0.078 nan 4.420 nan 0.000 0.266 206 P C -0.276 177.050 177.300 0.044 0.000 1.195 206 P CA 0.107 63.248 63.100 0.069 0.000 0.768 206 P CB 1.073 32.848 31.700 0.124 0.000 0.838 207 D N 2.394 122.836 120.400 0.070 0.000 2.600 207 D HA 0.285 4.925 4.640 0.000 0.000 0.226 207 D C 0.907 177.334 176.300 0.212 0.000 1.119 207 D CA 0.810 54.869 54.000 0.099 0.000 1.051 207 D CB -1.250 39.593 40.800 0.071 0.000 1.106 207 D HN 0.669 nan 8.370 nan 0.000 0.491 208 G N 2.720 111.592 108.800 0.120 0.000 2.746 208 G HA2 -0.234 3.726 3.960 0.000 0.000 0.685 208 G HA3 -0.234 3.726 3.960 0.000 0.000 0.685 208 G C 0.749 175.534 174.900 -0.191 0.000 1.350 208 G CA -0.476 44.599 45.100 -0.041 0.000 0.837 208 G HN 0.481 nan 8.290 nan 0.000 0.564 209 H N 0.729 119.675 119.070 -0.207 0.000 2.423 209 H HA -0.019 4.537 4.556 0.000 0.000 0.297 209 H C 2.743 177.817 175.328 -0.423 0.000 1.075 209 H CA 1.655 57.344 56.048 -0.598 0.000 1.342 209 H CB 0.069 28.946 29.762 -1.475 0.000 1.395 209 H HN 0.574 nan 8.280 nan 0.000 0.530 210 R N 0.378 120.760 120.500 -0.196 0.000 2.237 210 R HA -0.043 4.297 4.340 0.000 0.000 0.219 210 R C 0.461 176.552 176.300 -0.348 0.000 1.080 210 R CA 0.602 56.549 56.100 -0.254 0.000 0.995 210 R CB 0.068 30.123 30.300 -0.409 0.000 0.875 210 R HN 0.419 nan 8.270 nan 0.000 0.462 211 H N 0.373 119.458 119.070 0.025 0.000 2.524 211 H HA 0.230 4.787 4.556 0.000 0.000 0.297 211 H C 0.153 175.557 175.328 0.127 0.000 1.115 211 H CA 0.025 56.103 56.048 0.049 0.000 1.027 211 H CB -0.009 29.772 29.762 0.031 0.000 1.591 211 H HN 0.208 nan 8.280 nan 0.000 0.543 212 M N -1.301 118.477 119.600 0.296 0.000 2.593 212 M HA 0.483 4.963 4.480 0.000 0.000 0.290 212 M C -1.074 175.534 176.300 0.513 0.000 1.244 212 M CA -1.064 54.449 55.300 0.354 0.000 0.857 212 M CB 2.256 35.044 32.600 0.313 0.000 1.738 212 M HN -0.271 nan 8.290 nan 0.000 0.461 213 N N 0.212 119.166 118.700 0.424 0.000 2.458 213 N HA 0.710 5.450 4.740 0.000 0.000 0.271 213 N C -0.666 174.918 175.510 0.125 0.000 1.210 213 N CA -0.134 53.090 53.050 0.291 0.000 0.978 213 N CB 1.724 40.213 38.487 0.004 0.000 1.206 213 N HN 0.898 nan 8.380 nan 0.000 0.536 214 G N -0.125 108.380 108.800 -0.491 0.000 2.495 214 G HA2 0.638 4.599 3.960 0.000 0.000 0.318 214 G HA3 0.638 4.599 3.960 0.000 0.000 0.318 214 G C -1.663 172.177 174.900 -1.766 0.000 1.257 214 G CA -0.252 44.109 45.100 -1.232 0.000 0.962 214 G HN 0.389 nan 8.290 nan 0.000 0.483 215 Y N -0.182 119.567 120.300 -0.918 0.000 2.512 215 Y HA 0.499 5.049 4.550 0.000 0.000 0.348 215 Y C 1.206 176.890 175.900 -0.360 0.000 0.990 215 Y CA -0.408 57.309 58.100 -0.639 0.000 1.033 215 Y CB 2.697 40.868 38.460 -0.480 0.000 1.259 215 Y HN 0.604 nan 8.280 nan 0.000 0.461 216 G N -0.142 108.655 108.800 -0.005 0.000 2.623 216 G HA2 0.117 4.077 3.960 0.000 0.000 0.214 216 G HA3 0.117 4.077 3.960 0.000 0.000 0.214 216 G C 0.882 175.857 174.900 0.126 0.000 1.138 216 G CA 0.845 46.066 45.100 0.201 0.000 0.794 216 G HN 0.719 nan 8.290 nan 0.000 0.535 217 S N -0.720 114.921 115.700 -0.100 0.000 2.859 217 S HA -0.258 4.212 4.470 0.000 0.000 0.245 217 S C 0.918 175.326 174.600 -0.320 0.000 1.352 217 S CA 1.406 59.422 58.200 -0.308 0.000 2.857 217 S CB -1.296 61.654 63.200 -0.417 0.000 1.421 217 S HN 0.656 nan 8.310 nan 0.000 0.495 218 H N 2.194 121.195 119.070 -0.115 0.000 2.836 218 H HA 0.260 4.816 4.556 0.000 0.000 0.368 218 H C 0.518 175.658 175.328 -0.313 0.000 1.164 218 H CA 1.045 56.916 56.048 -0.296 0.000 1.425 218 H CB 0.028 29.447 29.762 -0.571 0.000 1.414 218 H HN 0.397 nan 8.280 nan 0.000 0.614 219 T N 3.292 117.708 114.554 -0.231 0.000 2.817 219 T HA 0.329 4.679 4.350 0.000 0.000 0.293 219 T C -0.017 174.560 174.700 -0.204 0.000 0.964 219 T CA -0.167 61.809 62.100 -0.207 0.000 1.085 219 T CB 0.075 68.922 68.868 -0.036 0.000 0.921 219 T HN 0.211 nan 8.240 nan 0.000 0.502 220 F N 1.263 121.224 119.950 0.018 0.000 2.712 220 F HA 0.650 5.177 4.527 0.000 0.000 0.367 220 F C 0.429 176.347 175.800 0.196 0.000 1.132 220 F CA -1.208 56.859 58.000 0.112 0.000 1.066 220 F CB 1.473 40.578 39.000 0.175 0.000 1.416 220 F HN 0.229 nan 8.300 nan 0.000 0.515 221 K N 1.243 121.885 120.400 0.402 0.000 2.324 221 K HA 0.689 5.009 4.320 0.000 0.000 0.253 221 K C -1.893 174.794 176.600 0.144 0.000 0.932 221 K CA -0.431 56.003 56.287 0.244 0.000 0.799 221 K CB 1.334 33.960 32.500 0.210 0.000 1.154 221 K HN 0.577 nan 8.250 nan 0.000 0.425 222 L N 3.760 125.017 121.223 0.056 0.000 2.334 222 L HA 0.584 4.924 4.340 0.000 0.000 0.276 222 L C -0.903 175.967 176.870 0.000 0.000 1.014 222 L CA -1.283 53.577 54.840 0.034 0.000 0.815 222 L CB 2.032 44.100 42.059 0.014 0.000 1.268 222 L HN 0.329 nan 8.230 nan 0.000 0.428 223 V N 1.579 121.496 119.914 0.006 0.000 2.531 223 V HA 0.340 4.460 4.120 0.000 0.000 0.301 223 V C -0.369 175.736 176.094 0.018 0.000 1.034 223 V CA -0.892 61.398 62.300 -0.016 0.000 0.865 223 V CB 1.759 33.578 31.823 -0.007 0.000 0.995 223 V HN 0.910 nan 8.190 nan 0.000 0.424 224 N N 3.903 122.613 118.700 0.017 0.000 2.448 224 N HA 0.499 5.239 4.740 0.000 0.000 0.274 224 N C 1.104 176.623 175.510 0.016 0.000 1.239 224 N CA -0.087 52.975 53.050 0.021 0.000 0.982 224 N CB 0.979 39.473 38.487 0.011 0.000 1.199 224 N HN 0.581 nan 8.380 nan 0.000 0.576 225 A N -0.319 122.508 122.820 0.013 0.000 2.131 225 A HA -0.177 4.143 4.320 0.000 0.000 0.220 225 A C 1.389 178.978 177.584 0.009 0.000 1.158 225 A CA 1.297 53.342 52.037 0.012 0.000 0.665 225 A CB -1.193 17.813 19.000 0.010 0.000 0.795 225 A HN 0.832 nan 8.150 nan 0.000 0.460 226 N N -1.615 117.088 118.700 0.005 0.000 2.422 226 N HA 0.248 4.988 4.740 0.000 0.000 0.181 226 N C 1.054 176.570 175.510 0.010 0.000 1.080 226 N CA 0.404 53.456 53.050 0.003 0.000 0.893 226 N CB 0.191 38.675 38.487 -0.005 0.000 0.973 226 N HN 0.583 nan 8.380 nan 0.000 0.456 227 G N 1.246 110.059 108.800 0.022 0.000 2.176 227 G HA2 -0.249 3.711 3.960 0.000 0.000 0.232 227 G HA3 -0.249 3.711 3.960 0.000 0.000 0.232 227 G C -0.317 174.617 174.900 0.057 0.000 0.986 227 G CA -0.293 44.839 45.100 0.053 0.000 0.643 227 G HN 0.363 nan 8.290 nan 0.000 0.522 228 E N 0.522 120.721 120.200 -0.001 0.000 2.354 228 E HA 0.600 4.950 4.350 0.000 0.000 0.269 228 E C 0.408 176.936 176.600 -0.120 0.000 1.036 228 E CA 0.261 56.631 56.400 -0.051 0.000 0.876 228 E CB 1.355 31.037 29.700 -0.030 0.000 1.009 228 E HN 0.758 nan 8.360 nan 0.000 0.416 229 A N 2.046 124.702 122.820 -0.273 0.000 2.380 229 A HA 0.725 5.045 4.320 0.000 0.000 0.315 229 A C -0.602 176.981 177.584 -0.002 0.000 1.101 229 A CA -0.706 51.152 52.037 -0.298 0.000 0.771 229 A CB 1.373 19.874 19.000 -0.831 0.000 1.287 229 A HN 0.452 nan 8.150 nan 0.000 0.436 230 V N -1.962 117.998 119.914 0.078 0.000 3.159 230 V HA 0.779 4.899 4.120 0.000 0.000 0.308 230 V C -1.330 174.685 176.094 -0.131 0.000 1.190 230 V CA -1.054 61.282 62.300 0.060 0.000 1.037 230 V CB 1.182 33.019 31.823 0.023 0.000 1.060 230 V HN 0.773 nan 8.190 nan 0.000 0.437 231 Y N 0.985 121.291 120.300 0.011 0.000 2.419 231 Y HA 0.846 5.396 4.550 0.000 0.000 0.328 231 Y C 0.630 176.632 175.900 0.170 0.000 1.162 231 Y CA -0.283 57.860 58.100 0.073 0.000 1.174 231 Y CB 1.679 40.194 38.460 0.091 0.000 1.228 231 Y HN 1.275 nan 8.280 nan 0.000 0.473 232 C N 0.774 120.271 119.300 0.330 0.000 3.318 232 C HA 0.809 5.269 4.460 0.000 0.000 0.322 232 C C -1.698 173.112 174.990 -0.300 0.000 1.398 232 C CA -1.200 57.837 59.018 0.031 0.000 1.339 232 C CB 2.088 29.679 27.740 -0.249 0.000 1.668 232 C HN 0.721 nan 8.230 nan 0.000 0.462 233 K N 0.921 121.075 120.400 -0.411 0.000 2.378 233 K HA 0.642 4.962 4.320 0.000 0.000 0.252 233 K C -1.673 174.744 176.600 -0.304 0.000 0.931 233 K CA -0.126 55.916 56.287 -0.409 0.000 0.794 233 K CB 1.730 33.989 32.500 -0.401 0.000 1.181 233 K HN 0.716 nan 8.250 nan 0.000 0.425 234 F N 1.960 121.858 119.950 -0.087 0.000 2.399 234 F HA 0.390 4.917 4.527 0.000 0.000 0.334 234 F C 0.822 176.441 175.800 -0.302 0.000 1.097 234 F CA -0.125 57.780 58.000 -0.159 0.000 1.076 234 F CB 1.060 39.985 39.000 -0.125 0.000 1.162 234 F HN 0.282 nan 8.300 nan 0.000 0.495 235 H N 2.394 121.391 119.070 -0.122 0.000 2.894 235 H HA 0.313 4.869 4.556 0.000 0.000 0.367 235 H C -1.645 173.654 175.328 -0.049 0.000 1.144 235 H CA -0.775 55.174 56.048 -0.165 0.000 1.180 235 H CB 2.311 32.021 29.762 -0.086 0.000 1.758 235 H HN 0.546 nan 8.280 nan 0.000 0.541 236 Y N 0.350 120.560 120.300 -0.150 0.000 2.445 236 Y HA 0.336 4.886 4.550 0.000 0.000 0.332 236 Y C -0.458 175.612 175.900 0.282 0.000 1.037 236 Y CA -1.390 56.760 58.100 0.083 0.000 1.296 236 Y CB 0.262 38.711 38.460 -0.018 0.000 1.099 236 Y HN 0.149 nan 8.280 nan 0.000 0.496 237 K N 1.549 122.241 120.400 0.486 0.000 2.298 237 K HA 0.197 4.517 4.320 0.000 0.000 0.280 237 K C 0.325 177.208 176.600 0.472 0.000 1.032 237 K CA -0.241 56.293 56.287 0.412 0.000 0.958 237 K CB 1.560 34.255 32.500 0.325 0.000 0.978 237 K HN 0.798 nan 8.250 nan 0.000 0.472 238 T N 1.636 116.392 114.554 0.336 0.000 2.853 238 T HA 0.020 4.370 4.350 0.000 0.000 0.298 238 T C 0.537 175.186 174.700 -0.086 0.000 0.978 238 T CA -0.350 61.688 62.100 -0.102 0.000 1.152 238 T CB 0.155 69.015 68.868 -0.014 0.000 0.914 238 T HN 0.302 nan 8.240 nan 0.000 0.539 239 D N 3.764 124.029 120.400 -0.225 0.000 2.323 239 D HA -0.011 4.630 4.640 0.000 0.000 0.209 239 D C 1.619 177.869 176.300 -0.084 0.000 0.973 239 D CA 0.721 54.670 54.000 -0.085 0.000 0.874 239 D CB 0.270 41.024 40.800 -0.076 0.000 0.930 239 D HN 0.634 nan 8.370 nan 0.000 0.521 240 Q N 0.214 119.912 119.800 -0.171 0.000 2.444 240 Q HA 0.321 4.661 4.340 0.000 0.000 0.206 240 Q C 0.743 176.826 176.000 0.139 0.000 0.948 240 Q CA 0.243 56.006 55.803 -0.067 0.000 0.946 240 Q CB 0.479 29.044 28.738 -0.289 0.000 1.027 240 Q HN 0.203 nan 8.270 nan 0.000 0.513 241 G N 0.518 109.379 108.800 0.102 0.000 2.728 241 G HA2 -0.199 3.761 3.960 0.000 0.000 0.686 241 G HA3 -0.199 3.761 3.960 0.000 0.000 0.686 241 G C -0.676 174.345 174.900 0.201 0.000 1.337 241 G CA -0.957 44.228 45.100 0.141 0.000 0.861 241 G HN 0.098 nan 8.290 nan 0.000 0.597 242 I N 1.328 121.988 120.570 0.151 0.000 2.556 242 I HA 0.371 4.542 4.170 0.000 0.000 0.284 242 I C 0.687 176.852 176.117 0.079 0.000 1.114 242 I CA 0.569 61.961 61.300 0.153 0.000 1.418 242 I CB 1.184 39.270 38.000 0.143 0.000 1.394 242 I HN 0.705 nan 8.210 nan 0.000 0.552 243 K N 6.152 126.597 120.400 0.076 0.000 2.535 243 K HA 0.434 4.754 4.320 0.000 0.000 0.251 243 K C -1.250 175.357 176.600 0.012 0.000 0.942 243 K CA -0.638 55.623 56.287 -0.043 0.000 0.798 243 K CB 1.757 34.067 32.500 -0.316 0.000 1.267 243 K HN 0.536 nan 8.250 nan 0.000 0.434 244 N N 3.189 121.882 118.700 -0.011 0.000 2.381 244 N HA 0.494 5.234 4.740 0.000 0.000 0.294 244 N C -1.113 174.379 175.510 -0.030 0.000 1.216 244 N CA -0.608 52.438 53.050 -0.006 0.000 0.803 244 N CB 1.470 39.952 38.487 -0.008 0.000 1.372 244 N HN 0.397 nan 8.380 nan 0.000 0.500 245 L N 0.827 122.026 121.223 -0.041 0.000 2.325 245 L HA 0.372 4.712 4.340 0.000 0.000 0.278 245 L C 0.825 177.666 176.870 -0.048 0.000 1.023 245 L CA -0.674 54.127 54.840 -0.064 0.000 0.811 245 L CB 1.481 43.470 42.059 -0.117 0.000 1.249 245 L HN 0.614 nan 8.230 nan 0.000 0.431 246 S N 0.873 116.548 115.700 -0.042 0.000 2.593 246 S HA 0.114 4.584 4.470 0.000 0.000 0.269 246 S C 1.309 175.895 174.600 -0.024 0.000 1.334 246 S CA -0.388 57.797 58.200 -0.024 0.000 1.015 246 S CB 1.466 64.656 63.200 -0.017 0.000 0.912 246 S HN 0.544 nan 8.310 nan 0.000 0.541 247 V N -0.559 119.353 119.914 -0.002 0.000 2.392 247 V HA -0.192 3.928 4.120 0.000 0.000 0.249 247 V C 2.214 178.306 176.094 -0.005 0.000 1.059 247 V CA 2.225 64.528 62.300 0.005 0.000 1.051 247 V CB -1.389 30.456 31.823 0.037 0.000 0.658 247 V HN 1.017 nan 8.190 nan 0.000 0.455 248 E N 0.288 120.486 120.200 -0.003 0.000 2.038 248 E HA -0.281 4.069 4.350 0.000 0.000 0.195 248 E C 2.003 178.588 176.600 -0.024 0.000 1.000 248 E CA 1.893 58.289 56.400 -0.006 0.000 0.803 248 E CB -0.180 29.519 29.700 -0.002 0.000 0.750 248 E HN 0.710 nan 8.360 nan 0.000 0.448 249 D N 0.099 120.476 120.400 -0.038 0.000 2.104 249 D HA -0.163 4.477 4.640 0.000 0.000 0.194 249 D C 1.845 178.086 176.300 -0.097 0.000 0.994 249 D CA 1.447 55.409 54.000 -0.064 0.000 0.830 249 D CB -0.514 40.241 40.800 -0.075 0.000 0.959 249 D HN 0.290 nan 8.370 nan 0.000 0.452 250 A N 1.143 123.904 122.820 -0.098 0.000 1.892 250 A HA -0.185 4.135 4.320 0.000 0.000 0.218 250 A C 2.323 179.859 177.584 -0.081 0.000 1.188 250 A CA 2.901 54.870 52.037 -0.114 0.000 0.631 250 A CB -0.950 18.004 19.000 -0.076 0.000 0.822 250 A HN 0.266 nan 8.150 nan 0.000 0.447 251 A N -0.392 122.401 122.820 -0.046 0.000 1.845 251 A HA -0.188 4.132 4.320 0.000 0.000 0.215 251 A C 2.256 179.822 177.584 -0.030 0.000 1.195 251 A CA 2.018 54.038 52.037 -0.027 0.000 0.616 251 A CB -0.651 18.343 19.000 -0.010 0.000 0.832 251 A HN 0.603 nan 8.150 nan 0.000 0.443 252 R N -0.207 120.275 120.500 -0.031 0.000 2.113 252 R HA -0.179 4.161 4.340 0.000 0.000 0.244 252 R C 1.993 178.277 176.300 -0.027 0.000 1.142 252 R CA 2.108 58.194 56.100 -0.023 0.000 0.953 252 R CB -0.541 29.746 30.300 -0.021 0.000 0.860 252 R HN 0.525 nan 8.270 nan 0.000 0.438 253 L N 0.799 121.985 121.223 -0.062 0.000 2.093 253 L HA -0.128 4.212 4.340 0.000 0.000 0.208 253 L C 2.710 179.561 176.870 -0.031 0.000 1.085 253 L CA 1.446 56.247 54.840 -0.065 0.000 0.755 253 L CB -0.553 41.377 42.059 -0.214 0.000 0.904 253 L HN 0.403 nan 8.230 nan 0.000 0.435 254 S N -1.047 114.629 115.700 -0.040 0.000 2.440 254 S HA -0.242 4.228 4.470 0.000 0.000 0.238 254 S C 1.892 176.492 174.600 0.001 0.000 1.010 254 S CA 1.100 59.291 58.200 -0.015 0.000 0.972 254 S CB -0.192 62.997 63.200 -0.018 0.000 0.774 254 S HN 0.471 nan 8.310 nan 0.000 0.501 255 Q N 1.200 121.000 119.800 -0.001 0.000 2.063 255 Q HA 0.011 4.351 4.340 0.000 0.000 0.194 255 Q C 2.053 178.062 176.000 0.014 0.000 0.974 255 Q CA 1.268 57.075 55.803 0.006 0.000 0.827 255 Q CB -0.338 28.402 28.738 0.002 0.000 0.902 255 Q HN 0.750 nan 8.270 nan 0.000 0.462 256 E N 0.430 120.640 120.200 0.017 0.000 2.085 256 E HA -0.150 4.200 4.350 0.000 0.000 0.194 256 E C -0.009 176.618 176.600 0.044 0.000 0.994 256 E CA 1.064 57.481 56.400 0.029 0.000 0.801 256 E CB 0.189 29.909 29.700 0.033 0.000 0.743 256 E HN 0.131 nan 8.360 nan 0.000 0.453 257 D N -1.678 118.758 120.400 0.061 0.000 2.328 257 D HA 0.131 4.771 4.640 0.000 0.000 0.243 257 D C -2.346 174.009 176.300 0.092 0.000 1.324 257 D CA -1.967 52.084 54.000 0.085 0.000 0.966 257 D CB 1.193 42.077 40.800 0.140 0.000 1.324 257 D HN -0.263 nan 8.370 nan 0.000 0.549 258 P HA 0.010 nan 4.420 nan 0.000 0.222 258 P C -0.048 177.300 177.300 0.080 0.000 1.147 258 P CA 0.813 63.947 63.100 0.056 0.000 0.790 258 P CB 0.351 32.072 31.700 0.036 0.000 0.780 259 D N -2.425 118.026 120.400 0.085 0.000 2.755 259 D HA 0.047 4.687 4.640 0.000 0.000 0.257 259 D C 1.015 177.388 176.300 0.121 0.000 1.291 259 D CA -0.453 53.601 54.000 0.090 0.000 0.836 259 D CB -0.454 40.369 40.800 0.038 0.000 1.059 259 D HN 0.154 nan 8.370 nan 0.000 0.486 260 Y N 2.106 122.410 120.300 0.007 0.000 2.030 260 Y HA -0.258 4.293 4.550 0.000 0.000 0.274 260 Y C 2.413 178.304 175.900 -0.015 0.000 1.153 260 Y CA 2.443 60.540 58.100 -0.005 0.000 1.115 260 Y CB -0.440 38.009 38.460 -0.018 0.000 0.969 260 Y HN 0.129 nan 8.280 nan 0.000 0.488 261 G N 0.318 109.246 108.800 0.214 0.000 2.507 261 G HA2 -0.286 3.674 3.960 0.000 0.000 0.221 261 G HA3 -0.286 3.674 3.960 0.000 0.000 0.221 261 G C 1.673 176.619 174.900 0.077 0.000 1.119 261 G CA 1.496 46.573 45.100 -0.039 0.000 0.751 261 G HN 0.552 nan 8.290 nan 0.000 0.574 262 I N -0.467 120.200 120.570 0.162 0.000 2.233 262 I HA -0.060 4.110 4.170 0.000 0.000 0.243 262 I C 2.826 179.039 176.117 0.159 0.000 1.093 262 I CA 0.897 62.326 61.300 0.215 0.000 1.380 262 I CB -0.290 37.810 38.000 0.166 0.000 1.067 262 I HN 0.104 nan 8.210 nan 0.000 0.413 263 R N 1.103 121.627 120.500 0.041 0.000 2.083 263 R HA -0.262 4.078 4.340 0.000 0.000 0.237 263 R C 1.959 178.264 176.300 0.009 0.000 1.137 263 R CA 2.509 58.609 56.100 0.001 0.000 0.951 263 R CB -0.357 29.896 30.300 -0.077 0.000 0.851 263 R HN 0.360 nan 8.270 nan 0.000 0.434 264 D N -0.135 120.185 120.400 -0.133 0.000 2.104 264 D HA -0.216 4.424 4.640 0.000 0.000 0.194 264 D C 1.970 178.276 176.300 0.009 0.000 0.994 264 D CA 1.319 55.229 54.000 -0.151 0.000 0.830 264 D CB -0.048 40.552 40.800 -0.332 0.000 0.959 264 D HN 0.189 nan 8.370 nan 0.000 0.452 265 L N -0.467 120.809 121.223 0.088 0.000 1.994 265 L HA -0.051 4.289 4.340 0.000 0.000 0.208 265 L C 2.028 179.021 176.870 0.206 0.000 1.071 265 L CA 1.702 56.642 54.840 0.168 0.000 0.745 265 L CB -1.181 41.051 42.059 0.290 0.000 0.892 265 L HN 0.183 nan 8.230 nan 0.000 0.431 266 F N 0.698 120.717 119.950 0.115 0.000 2.095 266 F HA -0.274 4.253 4.527 0.000 0.000 0.298 266 F C 2.330 178.179 175.800 0.081 0.000 1.104 266 F CA 2.023 60.093 58.000 0.117 0.000 1.232 266 F CB -0.513 38.554 39.000 0.110 0.000 0.987 266 F HN 0.274 nan 8.300 nan 0.000 0.475 267 N N 0.601 119.521 118.700 0.366 0.000 2.120 267 N HA -0.141 4.599 4.740 0.000 0.000 0.188 267 N C 2.036 177.609 175.510 0.104 0.000 1.024 267 N CA 1.425 54.617 53.050 0.237 0.000 0.852 267 N CB -0.944 37.621 38.487 0.130 0.000 1.003 267 N HN 0.401 nan 8.380 nan 0.000 0.424 268 A N 1.524 124.385 122.820 0.067 0.000 1.873 268 A HA -0.132 4.188 4.320 0.000 0.000 0.218 268 A C 2.300 179.891 177.584 0.013 0.000 1.193 268 A CA 1.275 53.326 52.037 0.023 0.000 0.629 268 A CB -0.856 18.156 19.000 0.020 0.000 0.826 268 A HN 0.255 nan 8.150 nan 0.000 0.447 269 I N -0.315 120.285 120.570 0.050 0.000 2.286 269 I HA -0.260 3.910 4.170 0.000 0.000 0.248 269 I C 2.907 179.035 176.117 0.017 0.000 1.115 269 I CA 0.990 62.351 61.300 0.103 0.000 1.392 269 I CB -0.446 37.606 38.000 0.088 0.000 1.065 269 I HN 0.372 nan 8.210 nan 0.000 0.418 270 A N 0.833 123.617 122.820 -0.059 0.000 1.972 270 A HA -0.193 4.127 4.320 0.000 0.000 0.219 270 A C 2.243 179.830 177.584 0.006 0.000 1.169 270 A CA 2.236 54.260 52.037 -0.023 0.000 0.635 270 A CB -0.950 18.112 19.000 0.103 0.000 0.810 270 A HN 0.533 nan 8.150 nan 0.000 0.446 271 T N -5.044 109.498 114.554 -0.020 0.000 3.122 271 T HA 0.441 4.791 4.350 0.000 0.000 0.250 271 T C 1.321 175.930 174.700 -0.152 0.000 1.067 271 T CA 0.967 63.036 62.100 -0.051 0.000 0.966 271 T CB 0.265 69.116 68.868 -0.029 0.000 1.002 271 T HN 1.633 nan 8.240 nan 0.000 0.542 272 G N 2.231 110.863 108.800 -0.279 0.000 2.225 272 G HA2 -0.280 3.680 3.960 0.000 0.000 0.254 272 G HA3 -0.280 3.680 3.960 0.000 0.000 0.254 272 G C 0.298 174.755 174.900 -0.737 0.000 0.988 272 G CA -0.035 44.655 45.100 -0.684 0.000 0.625 272 G HN 0.597 nan 8.290 nan 0.000 0.527 273 K N 1.481 121.686 120.400 -0.324 0.000 2.360 273 K HA 0.235 4.555 4.320 0.000 0.000 0.225 273 K C -0.276 176.269 176.600 -0.091 0.000 1.246 273 K CA -0.243 55.934 56.287 -0.183 0.000 1.198 273 K CB -0.353 32.096 32.500 -0.084 0.000 1.348 273 K HN 0.417 nan 8.250 nan 0.000 0.232 274 Y N 2.401 122.705 120.300 0.007 0.000 2.632 274 Y HA 0.002 4.552 4.550 0.000 0.000 0.329 274 Y C -1.572 174.316 175.900 -0.019 0.000 1.174 274 Y CA -2.637 55.473 58.100 0.016 0.000 1.469 274 Y CB -0.557 37.928 38.460 0.041 0.000 1.242 274 Y HN 0.389 nan 8.280 nan 0.000 0.540 275 P HA 0.280 nan 4.420 nan 0.000 0.282 275 P C -0.806 176.462 177.300 -0.054 0.000 1.249 275 P CA -0.436 62.614 63.100 -0.084 0.000 0.806 275 P CB 1.809 33.439 31.700 -0.116 0.000 0.984 276 S N 0.891 116.416 115.700 -0.293 0.000 2.661 276 S HA 0.763 5.233 4.470 0.000 0.000 0.285 276 S C -1.515 172.993 174.600 -0.153 0.000 1.138 276 S CA -0.744 57.445 58.200 -0.018 0.000 0.855 276 S CB 1.731 64.945 63.200 0.024 0.000 1.136 276 S HN 0.560 nan 8.310 nan 0.000 0.484 277 W N 0.385 121.801 121.300 0.193 0.000 3.274 277 W HA 0.359 5.019 4.660 0.000 0.000 0.327 277 W C -1.146 175.520 176.519 0.245 0.000 1.172 277 W CA -0.626 56.880 57.345 0.269 0.000 1.217 277 W CB 2.373 32.072 29.460 0.398 0.000 1.376 277 W HN 0.625 nan 8.180 nan 0.000 0.507 278 T N 3.101 117.909 114.554 0.423 0.000 2.749 278 T HA 0.218 4.568 4.350 0.000 0.000 0.295 278 T C -0.675 174.184 174.700 0.266 0.000 0.936 278 T CA -0.012 62.220 62.100 0.220 0.000 1.060 278 T CB 0.438 69.354 68.868 0.080 0.000 0.904 278 T HN 0.165 nan 8.240 nan 0.000 0.500 279 F N 4.750 124.753 119.950 0.088 0.000 2.411 279 F HA 0.518 5.045 4.527 0.000 0.000 0.355 279 F C -0.877 174.961 175.800 0.063 0.000 1.117 279 F CA -0.587 57.554 58.000 0.236 0.000 1.139 279 F CB 0.329 39.572 39.000 0.405 0.000 1.120 279 F HN 0.507 nan 8.300 nan 0.000 0.493 280 Y N 5.524 125.839 120.300 0.025 0.000 2.662 280 Y HA 0.688 5.238 4.550 0.000 0.000 0.335 280 Y C -0.253 175.621 175.900 -0.043 0.000 1.066 280 Y CA -1.544 56.575 58.100 0.031 0.000 1.116 280 Y CB 1.455 39.887 38.460 -0.046 0.000 1.308 280 Y HN 0.474 nan 8.280 nan 0.000 0.502 281 I N -1.248 119.431 120.570 0.182 0.000 2.802 281 I HA 0.639 4.809 4.170 0.000 0.000 0.298 281 I C -1.545 174.590 176.117 0.031 0.000 1.176 281 I CA -1.110 60.218 61.300 0.047 0.000 1.025 281 I CB 2.550 40.519 38.000 -0.051 0.000 1.243 281 I HN 0.504 nan 8.210 nan 0.000 0.424 282 Q N 3.123 122.949 119.800 0.044 0.000 2.282 282 Q HA 0.709 5.049 4.340 0.000 0.000 0.260 282 Q C -1.285 174.820 176.000 0.175 0.000 0.964 282 Q CA -0.953 54.939 55.803 0.148 0.000 0.880 282 Q CB 3.103 32.023 28.738 0.303 0.000 1.286 282 Q HN 0.610 nan 8.270 nan 0.000 0.445 283 V N 3.159 123.159 119.914 0.143 0.000 2.628 283 V HA 0.549 4.669 4.120 0.000 0.000 0.306 283 V C -0.482 175.680 176.094 0.114 0.000 1.045 283 V CA -0.723 61.597 62.300 0.033 0.000 0.905 283 V CB 1.858 33.486 31.823 -0.324 0.000 0.997 283 V HN 0.787 nan 8.190 nan 0.000 0.436 284 M N 4.498 124.094 119.600 -0.006 0.000 2.149 284 M HA 0.394 4.875 4.480 0.000 0.000 0.273 284 M C 0.028 176.296 176.300 -0.054 0.000 0.972 284 M CA -0.345 54.839 55.300 -0.195 0.000 0.984 284 M CB 1.813 33.785 32.600 -1.046 0.000 1.699 284 M HN 0.925 nan 8.290 nan 0.000 0.462 285 T N 0.902 115.477 114.554 0.036 0.000 2.802 285 T HA 0.192 4.542 4.350 0.000 0.000 0.305 285 T C 0.743 175.525 174.700 0.136 0.000 1.053 285 T CA -0.114 62.056 62.100 0.116 0.000 1.058 285 T CB 0.429 69.374 68.868 0.128 0.000 0.988 285 T HN 0.528 nan 8.240 nan 0.000 0.539 286 F N 1.043 120.985 119.950 -0.013 0.000 2.234 286 F HA -0.002 4.525 4.527 0.000 0.000 0.299 286 F C 2.496 178.335 175.800 0.065 0.000 1.087 286 F CA 0.868 58.900 58.000 0.053 0.000 1.340 286 F CB -0.801 38.199 39.000 0.001 0.000 1.031 286 F HN 0.530 nan 8.300 nan 0.000 0.500 287 N N 0.294 119.119 118.700 0.209 0.000 2.084 287 N HA -0.177 4.563 4.740 0.000 0.000 0.190 287 N C 1.819 177.381 175.510 0.087 0.000 1.030 287 N CA 1.304 54.429 53.050 0.124 0.000 0.849 287 N CB -0.652 37.888 38.487 0.088 0.000 1.012 287 N HN 0.414 nan 8.380 nan 0.000 0.423 288 Q N 0.491 120.336 119.800 0.076 0.000 2.170 288 Q HA 0.007 4.347 4.340 0.000 0.000 0.203 288 Q C 2.059 178.060 176.000 0.002 0.000 0.976 288 Q CA 1.313 57.155 55.803 0.065 0.000 0.858 288 Q CB -0.145 28.660 28.738 0.113 0.000 0.907 288 Q HN 0.386 nan 8.270 nan 0.000 0.433 289 A N 1.477 124.266 122.820 -0.052 0.000 1.940 289 A HA -0.246 4.074 4.320 0.000 0.000 0.219 289 A C 1.812 179.360 177.584 -0.059 0.000 1.176 289 A CA 1.568 53.514 52.037 -0.152 0.000 0.631 289 A CB -0.321 18.643 19.000 -0.061 0.000 0.814 289 A HN 0.381 nan 8.150 nan 0.000 0.446 290 E N -0.608 119.607 120.200 0.024 0.000 2.072 290 E HA -0.128 4.222 4.350 0.000 0.000 0.190 290 E C 2.163 178.775 176.600 0.021 0.000 0.982 290 E CA 1.529 57.949 56.400 0.033 0.000 0.803 290 E CB -0.480 29.254 29.700 0.057 0.000 0.755 290 E HN 0.803 nan 8.360 nan 0.000 0.453 291 T N -0.544 114.029 114.554 0.032 0.000 3.035 291 T HA -0.123 4.227 4.350 0.000 0.000 0.268 291 T C 0.637 175.343 174.700 0.010 0.000 1.109 291 T CA -0.177 61.931 62.100 0.013 0.000 1.119 291 T CB -0.477 68.403 68.868 0.020 0.000 0.900 291 T HN -0.030 nan 8.240 nan 0.000 0.503 292 F N 3.865 123.737 119.950 -0.130 0.000 2.623 292 F HA 0.226 4.753 4.527 0.000 0.000 0.386 292 F C -1.402 174.283 175.800 -0.191 0.000 1.068 292 F CA -2.275 55.628 58.000 -0.163 0.000 1.265 292 F CB 0.760 39.607 39.000 -0.254 0.000 1.026 292 F HN -0.000 nan 8.300 nan 0.000 0.568 293 P HA -0.125 nan 4.420 nan 0.000 0.219 293 P C -0.421 176.254 177.300 -1.042 0.000 1.146 293 P CA 1.576 64.081 63.100 -0.991 0.000 0.808 293 P CB 0.081 31.024 31.700 -1.262 0.000 0.779 294 F N -2.321 117.273 119.950 -0.593 0.000 2.732 294 F HA 0.396 4.923 4.527 0.000 0.000 0.394 294 F C 0.815 176.671 175.800 0.093 0.000 1.194 294 F CA -1.353 56.550 58.000 -0.162 0.000 1.127 294 F CB -0.453 38.517 39.000 -0.051 0.000 1.470 294 F HN -0.432 nan 8.300 nan 0.000 0.505 295 N N 2.958 121.855 118.700 0.329 0.000 2.406 295 N HA 0.218 4.958 4.740 0.000 0.000 0.251 295 N C -1.896 173.644 175.510 0.049 0.000 1.069 295 N CA -2.472 50.645 53.050 0.112 0.000 0.947 295 N CB 0.831 39.364 38.487 0.077 0.000 1.111 295 N HN 0.124 nan 8.380 nan 0.000 0.497 296 P HA -0.079 nan 4.420 nan 0.000 0.229 296 P C -0.184 176.816 177.300 -0.500 0.000 1.150 296 P CA 0.950 63.685 63.100 -0.609 0.000 0.765 296 P CB -0.083 30.960 31.700 -1.094 0.000 0.783 297 F N -0.854 119.067 119.950 -0.048 0.000 2.668 297 F HA 0.282 4.809 4.527 0.000 0.000 0.301 297 F C 0.697 176.470 175.800 -0.045 0.000 1.106 297 F CA -1.589 56.350 58.000 -0.102 0.000 1.289 297 F CB -0.501 38.408 39.000 -0.150 0.000 1.006 297 F HN -0.175 nan 8.300 nan 0.000 0.535 298 D N 1.411 121.861 120.400 0.084 0.000 2.325 298 D HA 0.051 4.691 4.640 0.000 0.000 0.251 298 D C 1.154 177.460 176.300 0.011 0.000 1.196 298 D CA 0.001 54.040 54.000 0.065 0.000 0.866 298 D CB 1.217 42.057 40.800 0.068 0.000 1.101 298 D HN 0.129 nan 8.370 nan 0.000 0.476 299 L N 4.000 125.229 121.223 0.010 0.000 2.362 299 L HA -0.071 4.269 4.340 0.000 0.000 0.219 299 L C 2.079 178.887 176.870 -0.104 0.000 1.134 299 L CA 1.641 56.447 54.840 -0.056 0.000 0.807 299 L CB -0.617 41.437 42.059 -0.008 0.000 0.927 299 L HN 0.639 nan 8.230 nan 0.000 0.447 300 T N -4.181 110.332 114.554 -0.068 0.000 3.219 300 T HA 0.129 4.479 4.350 0.000 0.000 0.249 300 T C 0.620 175.283 174.700 -0.062 0.000 1.099 300 T CA -0.073 61.969 62.100 -0.096 0.000 0.988 300 T CB -0.237 68.598 68.868 -0.056 0.000 0.999 300 T HN 0.174 nan 8.240 nan 0.000 0.550 301 K N 0.937 121.279 120.400 -0.096 0.000 2.426 301 K HA 0.644 4.964 4.320 0.000 0.000 0.251 301 K C -0.623 175.939 176.600 -0.063 0.000 0.941 301 K CA -1.062 55.186 56.287 -0.066 0.000 0.808 301 K CB 2.930 35.363 32.500 -0.113 0.000 1.265 301 K HN 0.113 nan 8.250 nan 0.000 0.432 302 V N -1.863 118.065 119.914 0.023 0.000 3.096 302 V HA 0.598 4.718 4.120 0.000 0.000 0.319 302 V C -1.158 175.136 176.094 0.334 0.000 1.082 302 V CA -0.803 61.509 62.300 0.020 0.000 1.022 302 V CB 0.961 32.774 31.823 -0.016 0.000 1.103 302 V HN 0.632 nan 8.190 nan 0.000 0.455 303 W N 1.041 122.347 121.300 0.010 0.000 2.294 303 W HA 0.585 5.245 4.660 0.000 0.000 0.314 303 W C -2.582 174.055 176.519 0.197 0.000 1.044 303 W CA -2.849 54.515 57.345 0.031 0.000 1.284 303 W CB 0.258 29.571 29.460 -0.245 0.000 1.231 303 W HN 0.429 nan 8.180 nan 0.000 0.419 304 P HA -0.066 nan 4.420 nan 0.000 0.260 304 P C 0.991 178.523 177.300 0.387 0.000 1.185 304 P CA 0.845 64.145 63.100 0.335 0.000 0.763 304 P CB 0.337 32.224 31.700 0.311 0.000 0.776 305 H N 2.083 121.279 119.070 0.210 0.000 2.426 305 H HA -0.222 4.334 4.556 0.000 0.000 0.298 305 H C 1.423 176.811 175.328 0.100 0.000 1.107 305 H CA 1.113 57.240 56.048 0.130 0.000 1.298 305 H CB 0.160 29.957 29.762 0.059 0.000 1.377 305 H HN 0.369 nan 8.280 nan 0.000 0.519 306 K N 0.412 120.946 120.400 0.223 0.000 2.097 306 K HA -0.104 4.216 4.320 0.000 0.000 0.206 306 K C 1.381 178.012 176.600 0.052 0.000 1.049 306 K CA 1.453 57.810 56.287 0.117 0.000 0.933 306 K CB 0.124 32.683 32.500 0.098 0.000 0.717 306 K HN 0.412 nan 8.250 nan 0.000 0.442 307 D N -1.393 119.043 120.400 0.058 0.000 2.355 307 D HA 0.007 4.647 4.640 0.000 0.000 0.206 307 D C -0.270 175.725 176.300 -0.508 0.000 1.010 307 D CA 0.626 54.509 54.000 -0.195 0.000 0.875 307 D CB 0.400 41.110 40.800 -0.151 0.000 0.966 307 D HN 0.211 nan 8.370 nan 0.000 0.512 308 Y N 1.312 121.681 120.300 0.116 0.000 2.628 308 Y HA 0.264 4.814 4.550 0.000 0.000 0.354 308 Y C -2.319 173.649 175.900 0.113 0.000 1.061 308 Y CA -2.205 55.960 58.100 0.108 0.000 1.251 308 Y CB 1.639 40.193 38.460 0.156 0.000 1.098 308 Y HN -0.179 nan 8.280 nan 0.000 0.626 309 P HA 0.066 nan 4.420 nan 0.000 0.271 309 P C -0.196 177.087 177.300 -0.030 0.000 1.218 309 P CA -0.069 63.043 63.100 0.020 0.000 0.780 309 P CB 1.643 33.346 31.700 0.006 0.000 0.901 310 L N 2.836 123.941 121.223 -0.196 0.000 2.455 310 L HA 0.179 4.520 4.340 0.000 0.000 0.272 310 L C 0.699 177.579 176.870 0.018 0.000 1.174 310 L CA -0.240 54.475 54.840 -0.209 0.000 0.869 310 L CB -0.166 41.530 42.059 -0.604 0.000 1.130 310 L HN 0.217 nan 8.230 nan 0.000 0.474 311 I N 4.756 125.396 120.570 0.117 0.000 2.354 311 I HA 0.340 4.510 4.170 0.000 0.000 0.292 311 I C -2.030 174.196 176.117 0.182 0.000 0.989 311 I CA -2.763 58.621 61.300 0.139 0.000 1.188 311 I CB 1.062 39.139 38.000 0.128 0.000 1.342 311 I HN 0.320 nan 8.210 nan 0.000 0.457 312 P HA 0.148 nan 4.420 nan 0.000 0.268 312 P C 0.152 177.333 177.300 -0.197 0.000 1.205 312 P CA 0.125 63.032 63.100 -0.321 0.000 0.771 312 P CB 2.190 33.440 31.700 -0.750 0.000 0.858 313 V N 1.842 121.769 119.914 0.022 0.000 3.161 313 V HA 0.416 4.536 4.120 0.000 0.000 0.221 313 V C 1.105 177.418 176.094 0.365 0.000 1.296 313 V CA 1.306 63.789 62.300 0.305 0.000 1.306 313 V CB 0.028 32.195 31.823 0.573 0.000 1.171 313 V HN 0.820 nan 8.190 nan 0.000 0.513 314 G N -0.510 108.526 108.800 0.394 0.000 2.772 314 G HA2 0.592 4.552 3.960 0.000 0.000 0.284 314 G HA3 0.592 4.552 3.960 0.000 0.000 0.284 314 G C -1.710 173.298 174.900 0.180 0.000 1.217 314 G CA -0.364 44.827 45.100 0.151 0.000 0.831 314 G HN 0.098 nan 8.290 nan 0.000 0.523 315 K N -0.389 120.022 120.400 0.018 0.000 2.498 315 K HA 0.629 4.949 4.320 0.000 0.000 0.254 315 K C -1.444 175.262 176.600 0.178 0.000 0.933 315 K CA -0.584 55.787 56.287 0.140 0.000 0.806 315 K CB 2.317 34.846 32.500 0.049 0.000 1.301 315 K HN 0.303 nan 8.250 nan 0.000 0.432 316 L N 3.606 124.993 121.223 0.273 0.000 2.313 316 L HA 0.589 4.929 4.340 0.000 0.000 0.283 316 L C -0.964 175.999 176.870 0.155 0.000 1.013 316 L CA -1.133 53.825 54.840 0.197 0.000 0.816 316 L CB 1.803 44.000 42.059 0.230 0.000 1.236 316 L HN 0.279 nan 8.230 nan 0.000 0.419 317 V N 5.066 124.888 119.914 -0.153 0.000 2.577 317 V HA 0.409 4.529 4.120 0.000 0.000 0.303 317 V C -0.263 175.741 176.094 -0.151 0.000 1.042 317 V CA -0.424 61.757 62.300 -0.199 0.000 0.872 317 V CB 2.366 33.815 31.823 -0.623 0.000 0.998 317 V HN 0.530 nan 8.190 nan 0.000 0.423 318 L N 5.334 126.597 121.223 0.067 0.000 2.276 318 L HA 0.505 4.845 4.340 0.000 0.000 0.286 318 L C 0.352 177.208 176.870 -0.024 0.000 1.024 318 L CA -0.340 54.542 54.840 0.071 0.000 0.826 318 L CB 1.307 43.505 42.059 0.232 0.000 1.211 318 L HN 0.876 nan 8.230 nan 0.000 0.422 319 N N 2.810 121.396 118.700 -0.190 0.000 2.197 319 N HA 0.108 4.848 4.740 0.000 0.000 0.228 319 N C -0.087 175.312 175.510 -0.185 0.000 1.212 319 N CA -0.521 52.170 53.050 -0.599 0.000 0.883 319 N CB 0.635 38.452 38.487 -1.116 0.000 1.107 319 N HN 0.533 nan 8.380 nan 0.000 0.519 320 R N 0.066 120.576 120.500 0.016 0.000 2.515 320 R HA 0.344 4.684 4.340 0.000 0.000 0.278 320 R C -1.569 174.801 176.300 0.116 0.000 1.107 320 R CA -0.482 55.651 56.100 0.056 0.000 0.945 320 R CB 0.984 31.303 30.300 0.031 0.000 1.219 320 R HN 0.074 nan 8.270 nan 0.000 0.434 321 N N 3.819 122.509 118.700 -0.015 0.000 2.445 321 N HA 0.356 5.096 4.740 0.000 0.000 0.264 321 N C -2.332 173.248 175.510 0.116 0.000 1.227 321 N CA -1.294 51.729 53.050 -0.045 0.000 0.963 321 N CB 0.719 38.839 38.487 -0.612 0.000 1.188 321 N HN 0.420 nan 8.380 nan 0.000 0.491 322 P HA 0.018 nan 4.420 nan 0.000 0.274 322 P C 0.065 177.483 177.300 0.196 0.000 1.237 322 P CA -0.142 63.105 63.100 0.245 0.000 0.793 322 P CB 1.189 33.101 31.700 0.354 0.000 0.977 323 V N 0.541 120.514 119.914 0.097 0.000 2.949 323 V HA 0.067 4.187 4.120 0.000 0.000 0.245 323 V C 1.049 177.230 176.094 0.146 0.000 1.086 323 V CA 1.171 63.535 62.300 0.106 0.000 1.097 323 V CB -0.499 31.336 31.823 0.019 0.000 0.762 323 V HN 0.694 nan 8.190 nan 0.000 0.470 324 N N -1.114 117.673 118.700 0.145 0.000 2.519 324 N HA 0.105 4.845 4.740 0.000 0.000 0.286 324 N C 0.221 175.878 175.510 0.245 0.000 1.079 324 N CA -0.387 52.775 53.050 0.188 0.000 0.878 324 N CB 1.606 40.179 38.487 0.143 0.000 1.375 324 N HN 0.227 nan 8.380 nan 0.000 0.514 325 Y N 4.424 124.834 120.300 0.183 0.000 2.097 325 Y HA -0.231 4.319 4.550 0.000 0.000 0.282 325 Y C 1.758 177.767 175.900 0.182 0.000 1.152 325 Y CA 1.844 60.059 58.100 0.192 0.000 1.136 325 Y CB -0.187 38.384 38.460 0.186 0.000 0.975 325 Y HN 0.630 nan 8.280 nan 0.000 0.498 326 F N 0.467 120.596 119.950 0.299 0.000 2.161 326 F HA -0.227 4.300 4.527 0.000 0.000 0.300 326 F C 2.194 178.021 175.800 0.045 0.000 1.089 326 F CA 1.680 59.785 58.000 0.174 0.000 1.282 326 F CB -0.602 38.497 39.000 0.166 0.000 1.010 326 F HN 0.102 nan 8.300 nan 0.000 0.485 327 A N -0.476 122.404 122.820 0.100 0.000 1.975 327 A HA -0.030 4.290 4.320 0.000 0.000 0.215 327 A C 1.975 179.508 177.584 -0.085 0.000 1.170 327 A CA 1.413 53.442 52.037 -0.013 0.000 0.656 327 A CB -0.457 18.602 19.000 0.098 0.000 0.821 327 A HN 0.540 nan 8.150 nan 0.000 0.449 328 E N -1.171 119.001 120.200 -0.046 0.000 2.389 328 E HA 0.126 4.476 4.350 0.000 0.000 0.199 328 E C 1.315 177.901 176.600 -0.023 0.000 0.978 328 E CA 0.525 56.948 56.400 0.038 0.000 0.912 328 E CB 0.510 30.297 29.700 0.145 0.000 0.907 328 E HN 0.371 nan 8.360 nan 0.000 0.494 329 V N 0.340 120.085 119.914 -0.281 0.000 2.870 329 V HA -0.062 4.058 4.120 0.000 0.000 0.232 329 V C 2.038 177.871 176.094 -0.437 0.000 1.161 329 V CA 0.821 62.849 62.300 -0.453 0.000 1.204 329 V CB 0.029 31.286 31.823 -0.943 0.000 1.003 329 V HN 0.013 nan 8.190 nan 0.000 0.499 330 E N 1.076 120.948 120.200 -0.547 0.000 2.070 330 E HA -0.272 4.079 4.350 0.000 0.000 0.197 330 E C 2.111 178.503 176.600 -0.347 0.000 1.004 330 E CA 1.920 58.134 56.400 -0.310 0.000 0.805 330 E CB -0.267 29.307 29.700 -0.211 0.000 0.744 330 E HN 0.602 nan 8.360 nan 0.000 0.451 331 Q N -0.344 119.162 119.800 -0.489 0.000 2.472 331 Q HA 0.075 4.415 4.340 0.000 0.000 0.208 331 Q C 0.619 176.461 176.000 -0.263 0.000 0.958 331 Q CA -0.133 55.434 55.803 -0.394 0.000 0.932 331 Q CB -0.015 28.469 28.738 -0.424 0.000 1.007 331 Q HN 0.388 nan 8.270 nan 0.000 0.508 332 I N 0.495 120.919 120.570 -0.244 0.000 2.836 332 I HA 0.072 4.242 4.170 0.000 0.000 0.285 332 I C -0.674 175.251 176.117 -0.320 0.000 1.174 332 I CA -0.053 61.083 61.300 -0.273 0.000 1.405 332 I CB 0.635 38.457 38.000 -0.297 0.000 1.385 332 I HN -0.057 nan 8.210 nan 0.000 0.594 333 A N 6.957 129.490 122.820 -0.478 0.000 2.402 333 A HA 0.640 4.960 4.320 0.000 0.000 0.291 333 A C -1.400 175.932 177.584 -0.420 0.000 1.051 333 A CA -0.417 51.258 52.037 -0.604 0.000 0.716 333 A CB 0.483 18.850 19.000 -1.054 0.000 1.223 333 A HN 0.510 nan 8.150 nan 0.000 0.425 334 F N 1.448 121.379 119.950 -0.032 0.000 2.443 334 F HA 0.513 5.040 4.527 0.000 0.000 0.335 334 F C -0.096 175.815 175.800 0.184 0.000 1.104 334 F CA -0.577 57.428 58.000 0.008 0.000 1.013 334 F CB 1.944 40.886 39.000 -0.095 0.000 1.136 334 F HN 0.423 nan 8.300 nan 0.000 0.470 335 D N 4.741 125.275 120.400 0.223 0.000 2.471 335 D HA 0.238 4.878 4.640 0.000 0.000 0.245 335 D C -2.017 174.239 176.300 -0.073 0.000 1.116 335 D CA -1.483 52.581 54.000 0.106 0.000 0.853 335 D CB 2.083 43.009 40.800 0.209 0.000 1.123 335 D HN 0.153 nan 8.370 nan 0.000 0.540 336 P HA -0.185 nan 4.420 nan 0.000 0.218 336 P C 1.394 178.687 177.300 -0.011 0.000 1.146 336 P CA 1.164 64.149 63.100 -0.192 0.000 0.820 336 P CB 0.243 31.727 31.700 -0.361 0.000 0.778 337 S N -2.681 113.014 115.700 -0.009 0.000 2.603 337 S HA -0.019 4.451 4.470 0.000 0.000 0.229 337 S C 0.919 175.567 174.600 0.080 0.000 0.972 337 S CA 0.164 58.395 58.200 0.052 0.000 0.935 337 S CB -1.086 62.149 63.200 0.058 0.000 0.769 337 S HN 0.019 nan 8.310 nan 0.000 0.536 338 N N 2.322 121.073 118.700 0.086 0.000 2.508 338 N HA 0.416 5.156 4.740 0.000 0.000 0.253 338 N C -1.023 174.591 175.510 0.174 0.000 1.145 338 N CA 0.454 53.562 53.050 0.098 0.000 0.973 338 N CB 0.293 38.822 38.487 0.070 0.000 1.305 338 N HN 0.531 nan 8.380 nan 0.000 0.506 339 M N 2.663 122.337 119.600 0.123 0.000 2.267 339 M HA 0.405 4.886 4.480 0.000 0.000 0.289 339 M C -2.406 173.874 176.300 -0.032 0.000 1.043 339 M CA -1.587 53.755 55.300 0.072 0.000 0.928 339 M CB 3.220 35.870 32.600 0.085 0.000 1.613 339 M HN 0.146 nan 8.290 nan 0.000 0.450 340 P HA 0.485 nan 4.420 nan 0.000 0.280 340 P C -2.881 174.338 177.300 -0.135 0.000 1.272 340 P CA -1.732 61.288 63.100 -0.133 0.000 0.819 340 P CB -0.201 31.388 31.700 -0.185 0.000 1.122 341 P HA 0.084 nan 4.420 nan 0.000 0.262 341 P C 0.944 178.204 177.300 -0.066 0.000 1.182 341 P CA 1.576 64.647 63.100 -0.050 0.000 0.761 341 P CB -0.249 31.433 31.700 -0.030 0.000 0.795 342 G N 2.483 111.265 108.800 -0.031 0.000 2.238 342 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 342 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 342 G C -0.030 174.858 174.900 -0.020 0.000 0.996 342 G CA -0.389 44.704 45.100 -0.012 0.000 0.632 342 G HN 0.490 nan 8.290 nan 0.000 0.503 343 I N 1.264 121.790 120.570 -0.073 0.000 2.468 343 I HA 0.553 4.723 4.170 0.000 0.000 0.285 343 I C -0.366 175.771 176.117 0.032 0.000 1.039 343 I CA -0.617 60.647 61.300 -0.061 0.000 1.074 343 I CB 1.915 39.703 38.000 -0.353 0.000 1.228 343 I HN 0.118 nan 8.210 nan 0.000 0.436 344 E N 3.409 123.692 120.200 0.140 0.000 2.445 344 E HA 0.765 5.115 4.350 0.000 0.000 0.273 344 E C -0.899 175.856 176.600 0.258 0.000 0.961 344 E CA -1.076 55.426 56.400 0.170 0.000 0.807 344 E CB 2.370 32.154 29.700 0.141 0.000 1.362 344 E HN 0.610 nan 8.360 nan 0.000 0.453 345 A N 0.824 123.748 122.820 0.172 0.000 2.302 345 A HA 0.516 4.836 4.320 0.000 0.000 0.285 345 A C 0.092 177.690 177.584 0.022 0.000 1.105 345 A CA -0.265 51.817 52.037 0.075 0.000 0.816 345 A CB 0.681 19.674 19.000 -0.012 0.000 1.067 345 A HN 0.514 nan 8.150 nan 0.000 0.489 346 S N 0.897 116.516 115.700 -0.136 0.000 2.745 346 S HA 0.626 5.096 4.470 0.000 0.000 0.292 346 S C -2.043 172.329 174.600 -0.381 0.000 1.133 346 S CA -1.005 57.059 58.200 -0.227 0.000 0.998 346 S CB 1.205 64.197 63.200 -0.347 0.000 1.087 346 S HN 0.495 nan 8.310 nan 0.000 0.551 347 P HA 0.069 nan 4.420 nan 0.000 0.249 347 P C -0.169 176.922 177.300 -0.347 0.000 1.241 347 P CA 0.061 62.870 63.100 -0.486 0.000 0.781 347 P CB -0.518 30.872 31.700 -0.516 0.000 1.088 348 D N 1.613 121.823 120.400 -0.317 0.000 2.570 348 D HA -0.093 4.547 4.640 0.000 0.000 0.243 348 D C 1.114 177.337 176.300 -0.129 0.000 1.171 348 D CA 0.494 54.426 54.000 -0.114 0.000 0.879 348 D CB 0.770 41.499 40.800 -0.117 0.000 1.143 348 D HN 0.049 nan 8.370 nan 0.000 0.511 349 K N 3.620 123.993 120.400 -0.045 0.000 2.074 349 K HA -0.184 4.136 4.320 0.000 0.000 0.209 349 K C 2.058 178.627 176.600 -0.052 0.000 1.048 349 K CA 1.096 57.361 56.287 -0.037 0.000 0.926 349 K CB -0.016 32.497 32.500 0.022 0.000 0.713 349 K HN 0.524 nan 8.250 nan 0.000 0.444 350 M N 0.494 120.077 119.600 -0.028 0.000 2.059 350 M HA -0.150 4.330 4.480 0.000 0.000 0.259 350 M C 2.413 178.584 176.300 -0.215 0.000 1.072 350 M CA 1.280 56.562 55.300 -0.030 0.000 1.117 350 M CB -1.046 31.630 32.600 0.128 0.000 1.320 350 M HN 0.168 nan 8.290 nan 0.000 0.408 351 L N 1.194 122.089 121.223 -0.547 0.000 2.043 351 L HA -0.238 4.102 4.340 0.000 0.000 0.212 351 L C 2.523 179.161 176.870 -0.387 0.000 1.075 351 L CA 1.921 56.237 54.840 -0.874 0.000 0.752 351 L CB -0.886 40.526 42.059 -1.078 0.000 0.891 351 L HN 0.331 nan 8.230 nan 0.000 0.432 352 Q N -0.170 119.471 119.800 -0.265 0.000 2.077 352 Q HA -0.184 4.156 4.340 0.000 0.000 0.206 352 Q C 2.136 178.095 176.000 -0.068 0.000 0.989 352 Q CA 1.891 57.606 55.803 -0.148 0.000 0.853 352 Q CB -0.909 27.754 28.738 -0.124 0.000 0.907 352 Q HN 0.718 nan 8.270 nan 0.000 0.418 353 G N 0.488 109.257 108.800 -0.052 0.000 2.421 353 G HA2 -0.218 3.742 3.960 0.000 0.000 0.217 353 G HA3 -0.218 3.742 3.960 0.000 0.000 0.217 353 G C 1.490 176.437 174.900 0.078 0.000 1.143 353 G CA 0.231 45.351 45.100 0.032 0.000 0.784 353 G HN 0.274 nan 8.290 nan 0.000 0.541 354 R N -0.127 120.370 120.500 -0.005 0.000 2.152 354 R HA 0.115 4.455 4.340 0.000 0.000 0.232 354 R C 2.397 178.747 176.300 0.083 0.000 1.117 354 R CA 0.405 56.556 56.100 0.085 0.000 0.981 354 R CB -0.381 29.901 30.300 -0.031 0.000 0.870 354 R HN 0.328 nan 8.270 nan 0.000 0.451 355 L N -0.305 120.930 121.223 0.019 0.000 2.187 355 L HA -0.194 4.146 4.340 0.000 0.000 0.213 355 L C 2.130 179.081 176.870 0.135 0.000 1.100 355 L CA 1.200 56.065 54.840 0.043 0.000 0.765 355 L CB -0.288 41.789 42.059 0.031 0.000 0.904 355 L HN 0.194 nan 8.230 nan 0.000 0.437 356 F N 0.070 120.038 119.950 0.031 0.000 2.343 356 F HA 0.175 4.702 4.527 0.000 0.000 0.286 356 F C 2.409 178.237 175.800 0.048 0.000 1.057 356 F CA 0.655 58.678 58.000 0.037 0.000 1.365 356 F CB -0.335 38.673 39.000 0.014 0.000 1.114 356 F HN -0.099 nan 8.300 nan 0.000 0.545 357 A N 0.171 122.844 122.820 -0.245 0.000 1.948 357 A HA -0.213 4.107 4.320 0.000 0.000 0.220 357 A C 1.957 179.271 177.584 -0.451 0.000 1.177 357 A CA 2.087 53.867 52.037 -0.429 0.000 0.636 357 A CB -1.511 17.382 19.000 -0.178 0.000 0.815 357 A HN 0.577 nan 8.150 nan 0.000 0.449 358 Y N -0.364 119.704 120.300 -0.387 0.000 2.130 358 Y HA -0.022 4.528 4.550 0.000 0.000 0.287 358 Y C -0.135 175.437 175.900 -0.546 0.000 1.124 358 Y CA 1.511 59.311 58.100 -0.499 0.000 1.118 358 Y CB -1.759 36.516 38.460 -0.307 0.000 0.994 358 Y HN 0.238 nan 8.280 nan 0.000 0.497 359 P HA -0.135 nan 4.420 nan 0.000 0.219 359 P C 0.826 178.086 177.300 -0.068 0.000 1.146 359 P CA 2.065 65.215 63.100 0.083 0.000 0.808 359 P CB 0.037 31.829 31.700 0.152 0.000 0.779 360 D N -1.707 118.510 120.400 -0.304 0.000 2.085 360 D HA -0.135 4.505 4.640 0.000 0.000 0.199 360 D C 2.045 178.206 176.300 -0.232 0.000 0.981 360 D CA 1.463 55.257 54.000 -0.344 0.000 0.834 360 D CB -0.826 39.481 40.800 -0.821 0.000 0.992 360 D HN -0.079 nan 8.370 nan 0.000 0.457 361 T N -1.718 112.635 114.554 -0.334 0.000 2.833 361 T HA -0.146 4.204 4.350 0.000 0.000 0.269 361 T C 1.554 176.156 174.700 -0.163 0.000 1.054 361 T CA 1.479 63.444 62.100 -0.226 0.000 1.135 361 T CB -0.434 68.238 68.868 -0.327 0.000 0.869 361 T HN 0.327 nan 8.240 nan 0.000 0.466 362 H N -0.159 118.740 119.070 -0.284 0.000 2.389 362 H HA 0.098 4.654 4.556 0.000 0.000 0.299 362 H C 2.589 177.678 175.328 -0.399 0.000 1.081 362 H CA 0.882 56.593 56.048 -0.560 0.000 1.345 362 H CB 0.156 29.170 29.762 -1.246 0.000 1.393 362 H HN 0.230 nan 8.280 nan 0.000 0.520 363 R N -0.585 119.909 120.500 -0.011 0.000 2.189 363 R HA -0.120 4.220 4.340 0.000 0.000 0.223 363 R C 1.847 178.201 176.300 0.090 0.000 1.092 363 R CA 1.189 57.367 56.100 0.130 0.000 0.989 363 R CB -0.027 30.363 30.300 0.150 0.000 0.876 363 R HN 0.460 nan 8.270 nan 0.000 0.457 364 H N 0.271 119.324 119.070 -0.028 0.000 2.361 364 H HA 0.100 4.657 4.556 0.000 0.000 0.308 364 H C 2.104 177.422 175.328 -0.017 0.000 1.053 364 H CA 1.197 57.233 56.048 -0.020 0.000 1.377 364 H CB 0.183 29.924 29.762 -0.036 0.000 1.434 364 H HN -0.073 nan 8.280 nan 0.000 0.548 365 R N -0.244 120.121 120.500 -0.226 0.000 2.075 365 R HA -0.021 4.319 4.340 0.000 0.000 0.232 365 R C 1.599 177.803 176.300 -0.160 0.000 1.126 365 R CA 1.845 57.804 56.100 -0.234 0.000 0.963 365 R CB -0.001 30.258 30.300 -0.069 0.000 0.858 365 R HN 0.419 nan 8.270 nan 0.000 0.435 366 L N -1.627 119.528 121.223 -0.114 0.000 2.349 366 L HA 0.389 4.729 4.340 0.000 0.000 0.200 366 L C 0.785 177.657 176.870 0.004 0.000 1.064 366 L CA 0.294 55.100 54.840 -0.056 0.000 0.821 366 L CB 0.470 42.495 42.059 -0.057 0.000 1.027 366 L HN 0.443 nan 8.230 nan 0.000 0.476 367 G N -1.367 107.460 108.800 0.045 0.000 2.335 367 G HA2 -0.027 3.933 3.960 0.000 0.000 0.592 367 G HA3 -0.027 3.933 3.960 0.000 0.000 0.592 367 G C -2.614 172.363 174.900 0.127 0.000 1.442 367 G CA -0.754 44.385 45.100 0.064 0.000 0.976 367 G HN -0.227 nan 8.290 nan 0.000 0.652 368 P HA -0.150 nan 4.420 nan 0.000 0.220 368 P C 1.050 178.320 177.300 -0.050 0.000 1.155 368 P CA 1.559 64.686 63.100 0.045 0.000 0.880 368 P CB 0.112 31.819 31.700 0.012 0.000 0.790 369 N N -1.427 117.190 118.700 -0.138 0.000 2.451 369 N HA 0.034 4.774 4.740 0.000 0.000 0.264 369 N C 0.905 176.219 175.510 -0.326 0.000 1.167 369 N CA -0.145 52.650 53.050 -0.425 0.000 0.898 369 N CB -0.317 37.813 38.487 -0.595 0.000 1.176 369 N HN 0.378 nan 8.380 nan 0.000 0.507 370 Y N -0.755 119.452 120.300 -0.155 0.000 2.465 370 Y HA -0.018 4.532 4.550 0.000 0.000 0.289 370 Y C 1.504 177.344 175.900 -0.100 0.000 1.150 370 Y CA 0.722 58.754 58.100 -0.113 0.000 1.293 370 Y CB -0.457 37.942 38.460 -0.102 0.000 0.977 370 Y HN 0.036 nan 8.280 nan 0.000 0.556 371 L N -0.105 120.728 121.223 -0.649 0.000 2.552 371 L HA -0.064 4.276 4.340 0.000 0.000 0.227 371 L C 1.557 178.426 176.870 -0.002 0.000 1.146 371 L CA 0.473 55.079 54.840 -0.391 0.000 0.858 371 L CB -0.501 41.284 42.059 -0.457 0.000 0.969 371 L HN 0.331 nan 8.230 nan 0.000 0.451 372 H N -0.483 118.513 119.070 -0.125 0.000 2.525 372 H HA 0.200 4.756 4.556 0.000 0.000 0.275 372 H C 0.899 176.202 175.328 -0.041 0.000 0.984 372 H CA -0.291 55.718 56.048 -0.066 0.000 1.264 372 H CB -0.023 29.709 29.762 -0.050 0.000 1.432 372 H HN 0.122 nan 8.280 nan 0.000 0.549 373 I N 2.783 123.407 120.570 0.089 0.000 2.752 373 I HA -0.081 4.089 4.170 0.000 0.000 0.289 373 I C -1.094 175.035 176.117 0.020 0.000 1.197 373 I CA -1.026 60.299 61.300 0.041 0.000 1.432 373 I CB 0.671 38.681 38.000 0.015 0.000 1.359 373 I HN -0.004 nan 8.210 nan 0.000 0.571 374 P HA -0.246 nan 4.420 nan 0.000 0.217 374 P C 1.628 178.919 177.300 -0.016 0.000 1.162 374 P CA 1.526 64.601 63.100 -0.043 0.000 0.901 374 P CB -0.027 31.619 31.700 -0.088 0.000 0.793 375 V N -3.339 116.574 119.914 -0.001 0.000 2.867 375 V HA -0.120 4.000 4.120 0.000 0.000 0.260 375 V C 1.497 177.671 176.094 0.134 0.000 1.099 375 V CA 1.957 64.312 62.300 0.092 0.000 1.122 375 V CB -1.303 30.579 31.823 0.099 0.000 0.708 375 V HN 0.083 nan 8.190 nan 0.000 0.490 376 N N -0.646 118.084 118.700 0.050 0.000 2.356 376 N HA 0.123 4.864 4.740 0.000 0.000 0.178 376 N C 0.735 176.284 175.510 0.065 0.000 1.075 376 N CA 0.621 53.673 53.050 0.004 0.000 0.889 376 N CB 0.189 38.663 38.487 -0.022 0.000 0.999 376 N HN 0.571 nan 8.380 nan 0.000 0.464 377 C N 4.533 123.907 119.300 0.123 0.000 2.648 377 C HA 0.175 4.635 4.460 0.000 0.000 0.419 377 C C -1.872 173.267 174.990 0.250 0.000 1.352 377 C CA -1.174 57.925 59.018 0.135 0.000 1.816 377 C CB 0.081 27.879 27.740 0.096 0.000 2.598 377 C HN 0.237 nan 8.230 nan 0.000 0.598 378 P HA 0.117 nan 4.420 nan 0.000 0.238 378 P C -0.106 177.259 177.300 0.109 0.000 1.794 378 P CA 0.070 63.253 63.100 0.140 0.000 1.088 378 P CB -0.512 31.211 31.700 0.039 0.000 1.923 379 Y N 1.812 122.151 120.300 0.066 0.000 2.421 379 Y HA 0.049 4.599 4.550 0.000 0.000 0.292 379 Y C 1.554 177.445 175.900 -0.014 0.000 1.136 379 Y CA 0.456 58.549 58.100 -0.011 0.000 1.255 379 Y CB -0.544 37.873 38.460 -0.070 0.000 0.991 379 Y HN -0.015 nan 8.280 nan 0.000 0.552 380 R N 1.019 121.205 120.500 -0.522 0.000 2.356 380 R HA 0.473 4.813 4.340 0.000 0.000 0.234 380 R C 0.055 176.258 176.300 -0.160 0.000 0.929 380 R CA 0.321 56.202 56.100 -0.365 0.000 1.084 380 R CB 0.346 30.368 30.300 -0.462 0.000 1.105 380 R HN 0.356 nan 8.270 nan 0.000 0.515 381 A N 1.093 123.850 122.820 -0.105 0.000 2.386 381 A HA 0.631 4.951 4.320 0.000 0.000 0.308 381 A C -0.846 176.713 177.584 -0.042 0.000 1.128 381 A CA -0.785 51.216 52.037 -0.061 0.000 0.789 381 A CB 1.287 20.259 19.000 -0.046 0.000 1.325 381 A HN 0.101 nan 8.150 nan 0.000 0.437 382 R N 1.197 121.673 120.500 -0.041 0.000 2.332 382 R HA 0.480 4.820 4.340 0.000 0.000 0.306 382 R C -1.462 174.809 176.300 -0.048 0.000 1.117 382 R CA -0.356 55.720 56.100 -0.041 0.000 1.108 382 R CB -0.282 29.994 30.300 -0.040 0.000 1.126 382 R HN 0.418 nan 8.270 nan 0.000 0.548 383 V N 3.239 123.124 119.914 -0.047 0.000 2.572 383 V HA 0.576 4.697 4.120 0.000 0.000 0.291 383 V C 0.232 176.278 176.094 -0.080 0.000 1.039 383 V CA 0.360 62.627 62.300 -0.056 0.000 1.055 383 V CB 0.838 32.635 31.823 -0.044 0.000 0.969 383 V HN 0.849 nan 8.190 nan 0.000 0.482 384 A N 4.931 127.689 122.820 -0.103 0.000 2.491 384 A HA 0.829 5.149 4.320 0.000 0.000 0.293 384 A C -0.601 176.854 177.584 -0.215 0.000 1.047 384 A CA -0.636 51.307 52.037 -0.157 0.000 0.735 384 A CB 1.549 20.460 19.000 -0.147 0.000 1.281 384 A HN 1.045 nan 8.150 nan 0.000 0.398 385 N N -0.368 118.145 118.700 -0.311 0.000 3.496 385 N HA 0.345 5.085 4.740 0.000 0.000 0.331 385 N C -0.904 174.235 175.510 -0.618 0.000 1.532 385 N CA -0.611 52.202 53.050 -0.395 0.000 0.863 385 N CB 0.207 38.612 38.487 -0.136 0.000 1.927 385 N HN 0.270 nan 8.380 nan 0.000 0.529 386 Y N -0.503 119.763 120.300 -0.057 0.000 2.681 386 Y HA 0.416 4.966 4.550 0.000 0.000 0.267 386 Y C 0.000 175.911 175.900 0.018 0.000 1.166 386 Y CA -0.442 57.652 58.100 -0.011 0.000 1.209 386 Y CB 0.228 38.694 38.460 0.011 0.000 1.161 386 Y HN 0.212 nan 8.280 nan 0.000 0.534 387 Q N 1.168 121.005 119.800 0.061 0.000 2.259 387 Q HA 0.567 4.907 4.340 0.000 0.000 0.246 387 Q C -0.106 175.922 176.000 0.045 0.000 0.920 387 Q CA -0.518 55.321 55.803 0.060 0.000 0.895 387 Q CB 1.348 30.107 28.738 0.036 0.000 1.220 387 Q HN 0.173 nan 8.270 nan 0.000 0.439 388 R N 1.187 121.720 120.500 0.055 0.000 2.766 388 R HA 0.290 4.630 4.340 0.000 0.000 0.270 388 R C -0.801 175.528 176.300 0.049 0.000 1.035 388 R CA -0.683 55.448 56.100 0.051 0.000 0.911 388 R CB 0.799 31.133 30.300 0.056 0.000 1.243 388 R HN 0.724 nan 8.270 nan 0.000 0.460 389 D N -0.078 120.351 120.400 0.049 0.000 3.254 389 D HA -0.191 4.449 4.640 0.000 0.000 0.216 389 D C 0.504 176.824 176.300 0.035 0.000 1.556 389 D CA 2.280 56.306 54.000 0.043 0.000 1.105 389 D CB -0.995 39.828 40.800 0.038 0.000 0.682 389 D HN 0.939 nan 8.370 nan 0.000 0.810 390 G N -1.826 106.990 108.800 0.027 0.000 2.663 390 G HA2 0.167 4.127 3.960 0.000 0.000 0.686 390 G HA3 0.167 4.127 3.960 0.000 0.000 0.686 390 G C -2.943 171.965 174.900 0.015 0.000 1.246 390 G CA -0.475 44.633 45.100 0.015 0.000 0.795 390 G HN 0.511 nan 8.290 nan 0.000 0.627 391 P HA 0.319 nan 4.420 nan 0.000 0.262 391 P C 0.760 178.069 177.300 0.016 0.000 1.182 391 P CA 0.379 63.489 63.100 0.016 0.000 0.761 391 P CB 0.271 31.980 31.700 0.015 0.000 0.795 392 M N -0.285 119.331 119.600 0.028 0.000 2.298 392 M HA -0.182 4.299 4.480 0.000 0.000 0.196 392 M C -0.266 176.078 176.300 0.072 0.000 0.531 392 M CA 0.193 55.519 55.300 0.043 0.000 0.459 392 M CB -2.429 30.195 32.600 0.039 0.000 1.279 392 M HN 0.397 nan 8.290 nan 0.000 0.915 393 C N 2.508 121.855 119.300 0.079 0.000 2.619 393 C HA 0.222 4.682 4.460 0.000 0.000 0.389 393 C C 1.875 176.939 174.990 0.125 0.000 1.314 393 C CA -0.364 58.737 59.018 0.139 0.000 1.678 393 C CB -0.105 27.693 27.740 0.096 0.000 2.398 393 C HN 0.637 nan 8.230 nan 0.000 0.582 394 M N 3.672 123.386 119.600 0.189 0.000 2.502 394 M HA 0.132 4.612 4.480 0.000 0.000 0.243 394 M C 0.996 177.268 176.300 -0.047 0.000 1.130 394 M CA 0.725 56.061 55.300 0.060 0.000 1.055 394 M CB -0.751 31.897 32.600 0.080 0.000 1.457 394 M HN 0.752 nan 8.290 nan 0.000 0.488 395 Q N 0.495 120.231 119.800 -0.106 0.000 2.926 395 Q HA 0.110 4.450 4.340 0.000 0.000 0.186 395 Q C 0.894 176.853 176.000 -0.069 0.000 1.066 395 Q CA -0.151 55.574 55.803 -0.130 0.000 0.821 395 Q CB 0.538 29.141 28.738 -0.226 0.000 2.959 395 Q HN 0.207 nan 8.270 nan 0.000 0.406 396 D N -0.663 119.694 120.400 -0.070 0.000 2.328 396 D HA -0.038 4.602 4.640 0.000 0.000 0.226 396 D C -0.336 175.942 176.300 -0.036 0.000 1.066 396 D CA 0.199 54.172 54.000 -0.045 0.000 0.861 396 D CB -0.224 40.548 40.800 -0.046 0.000 0.912 396 D HN 0.533 nan 8.370 nan 0.000 0.521 397 N N 1.507 120.182 118.700 -0.041 0.000 2.721 397 N HA -0.292 4.448 4.740 0.000 0.000 0.249 397 N C -0.645 174.847 175.510 -0.029 0.000 1.072 397 N CA 1.123 54.164 53.050 -0.016 0.000 0.710 397 N CB -1.543 36.950 38.487 0.009 0.000 0.993 397 N HN 0.459 nan 8.380 nan 0.000 0.547 398 Q N -3.246 116.522 119.800 -0.053 0.000 2.494 398 Q HA -0.236 4.104 4.340 0.000 0.000 0.272 398 Q C 1.203 177.174 176.000 -0.049 0.000 1.145 398 Q CA 1.113 56.878 55.803 -0.064 0.000 0.943 398 Q CB -1.843 26.844 28.738 -0.085 0.000 1.338 398 Q HN 0.949 nan 8.270 nan 0.000 0.492 399 G N -0.444 108.334 108.800 -0.037 0.000 2.672 399 G HA2 -0.385 3.575 3.960 0.000 0.000 0.324 399 G HA3 -0.385 3.575 3.960 0.000 0.000 0.324 399 G C 0.588 175.475 174.900 -0.021 0.000 1.286 399 G CA 0.545 45.629 45.100 -0.028 0.000 1.004 399 G HN 0.917 nan 8.290 nan 0.000 0.548 400 G N 0.458 109.245 108.800 -0.023 0.000 3.277 400 G HA2 0.649 4.609 3.960 0.000 0.000 0.243 400 G HA3 0.649 4.609 3.960 0.000 0.000 0.243 400 G C 0.803 175.689 174.900 -0.023 0.000 1.107 400 G CA 1.190 46.278 45.100 -0.019 0.000 0.771 400 G HN 1.833 nan 8.290 nan 0.000 0.544 401 A N 1.056 123.858 122.820 -0.031 0.000 2.583 401 A HA 0.394 4.714 4.320 0.000 0.000 0.231 401 A C -1.923 175.655 177.584 -0.010 0.000 1.065 401 A CA -0.393 51.623 52.037 -0.035 0.000 0.760 401 A CB -0.156 18.802 19.000 -0.071 0.000 1.001 401 A HN 0.191 nan 8.150 nan 0.000 0.509 402 P HA 0.028 nan 4.420 nan 0.000 0.261 402 P C 0.096 177.479 177.300 0.139 0.000 1.183 402 P CA 0.458 63.566 63.100 0.014 0.000 0.761 402 P CB 0.126 31.782 31.700 -0.073 0.000 0.785 403 N N 2.338 121.188 118.700 0.251 0.000 2.295 403 N HA 0.043 4.783 4.740 0.000 0.000 0.221 403 N C -0.574 175.242 175.510 0.511 0.000 1.129 403 N CA -0.591 52.677 53.050 0.364 0.000 0.836 403 N CB -0.155 38.473 38.487 0.234 0.000 1.040 403 N HN 0.380 nan 8.380 nan 0.000 0.494 404 Y N -2.582 117.905 120.300 0.312 0.000 2.524 404 Y HA 0.638 5.188 4.550 0.000 0.000 0.347 404 Y C -1.740 173.983 175.900 -0.295 0.000 1.005 404 Y CA -1.891 56.220 58.100 0.018 0.000 1.025 404 Y CB 0.821 39.307 38.460 0.043 0.000 1.275 404 Y HN -0.059 nan 8.280 nan 0.000 0.460 405 Y N 3.624 123.595 120.300 -0.548 0.000 2.406 405 Y HA 0.766 5.316 4.550 0.000 0.000 0.340 405 Y C -2.669 173.115 175.900 -0.193 0.000 0.975 405 Y CA -2.895 54.819 58.100 -0.644 0.000 1.056 405 Y CB 1.787 39.649 38.460 -0.996 0.000 1.210 405 Y HN 0.716 nan 8.280 nan 0.000 0.448 406 P HA 0.426 nan 4.420 nan 0.000 0.276 406 P C -1.729 175.470 177.300 -0.168 0.000 1.261 406 P CA -0.501 62.232 63.100 -0.611 0.000 0.800 406 P CB 0.915 32.280 31.700 -0.559 0.000 1.066 407 N N -3.019 115.598 118.700 -0.138 0.000 2.610 407 N HA 0.371 5.111 4.740 0.000 0.000 0.264 407 N C -0.868 174.621 175.510 -0.035 0.000 1.348 407 N CA -0.857 52.160 53.050 -0.056 0.000 0.819 407 N CB 0.780 39.026 38.487 -0.400 0.000 1.521 407 N HN 0.022 nan 8.380 nan 0.000 0.497 408 S N -0.186 115.453 115.700 -0.102 0.000 2.573 408 S HA 0.304 4.774 4.470 0.000 0.000 0.244 408 S C -0.798 173.439 174.600 -0.605 0.000 0.984 408 S CA -0.365 57.619 58.200 -0.360 0.000 1.001 408 S CB -0.859 62.058 63.200 -0.471 0.000 0.788 408 S HN 0.510 nan 8.310 nan 0.000 0.456 409 F N 0.869 120.826 119.950 0.012 0.000 2.818 409 F HA 0.374 4.901 4.527 0.000 0.000 0.369 409 F C 1.310 177.119 175.800 0.016 0.000 1.327 409 F CA -0.844 57.166 58.000 0.017 0.000 1.211 409 F CB 0.276 39.289 39.000 0.021 0.000 1.036 409 F HN 0.217 nan 8.300 nan 0.000 0.510 410 G N 1.041 109.915 108.800 0.122 0.000 2.321 410 G HA2 -0.150 3.810 3.960 0.000 0.000 0.287 410 G HA3 -0.150 3.810 3.960 0.000 0.000 0.287 410 G C 0.483 175.446 174.900 0.105 0.000 1.018 410 G CA 0.228 45.387 45.100 0.099 0.000 0.855 410 G HN 0.757 nan 8.290 nan 0.000 0.507 411 A N -0.152 122.757 122.820 0.148 0.000 2.259 411 A HA 0.804 5.124 4.320 0.000 0.000 0.278 411 A C -1.254 176.413 177.584 0.140 0.000 1.107 411 A CA -1.101 51.013 52.037 0.127 0.000 0.828 411 A CB 0.297 19.437 19.000 0.233 0.000 1.111 411 A HN 0.226 nan 8.150 nan 0.000 0.498 412 P HA 0.053 nan 4.420 nan 0.000 0.263 412 P C -0.641 176.709 177.300 0.084 0.000 1.168 412 P CA 0.748 63.835 63.100 -0.022 0.000 0.759 412 P CB 0.304 31.882 31.700 -0.203 0.000 0.782 413 E N 1.987 122.229 120.200 0.070 0.000 2.238 413 E HA 0.139 4.489 4.350 0.000 0.000 0.267 413 E C -0.085 176.556 176.600 0.069 0.000 0.887 413 E CA -0.780 55.708 56.400 0.146 0.000 0.769 413 E CB 1.416 31.218 29.700 0.170 0.000 1.187 413 E HN 0.475 nan 8.360 nan 0.000 0.416 414 Q N 1.230 121.098 119.800 0.114 0.000 2.337 414 Q HA 0.054 4.394 4.340 0.000 0.000 0.270 414 Q C -0.412 175.631 176.000 0.072 0.000 1.002 414 Q CA -0.104 55.744 55.803 0.074 0.000 0.888 414 Q CB 0.228 29.045 28.738 0.132 0.000 1.222 414 Q HN 0.397 nan 8.270 nan 0.000 0.400 415 Q N 1.910 121.734 119.800 0.041 0.000 2.372 415 Q HA 0.336 4.676 4.340 0.000 0.000 0.259 415 Q C -2.362 173.657 176.000 0.031 0.000 0.993 415 Q CA -2.139 53.684 55.803 0.034 0.000 0.854 415 Q CB 1.489 30.239 28.738 0.019 0.000 1.231 415 Q HN 0.386 nan 8.270 nan 0.000 0.462 416 P HA -0.309 nan 4.420 nan 0.000 0.218 416 P C 1.069 178.383 177.300 0.023 0.000 1.152 416 P CA 2.092 65.209 63.100 0.029 0.000 0.857 416 P CB 0.145 31.860 31.700 0.025 0.000 0.787 417 S N -1.314 114.398 115.700 0.019 0.000 2.500 417 S HA -0.028 4.442 4.470 0.000 0.000 0.239 417 S C 1.749 176.359 174.600 0.017 0.000 0.989 417 S CA 0.903 59.113 58.200 0.016 0.000 0.951 417 S CB -0.904 62.303 63.200 0.012 0.000 0.759 417 S HN 0.170 nan 8.310 nan 0.000 0.523 418 A N 0.356 123.187 122.820 0.018 0.000 2.345 418 A HA 0.524 4.844 4.320 0.000 0.000 0.225 418 A C 0.537 178.137 177.584 0.027 0.000 1.243 418 A CA -0.487 51.561 52.037 0.017 0.000 0.875 418 A CB -0.263 18.743 19.000 0.011 0.000 0.929 418 A HN 0.424 nan 8.150 nan 0.000 0.502 419 L N 0.861 122.101 121.223 0.030 0.000 2.483 419 L HA 0.185 4.525 4.340 0.000 0.000 0.275 419 L C 0.148 177.045 176.870 0.045 0.000 1.220 419 L CA 0.389 55.249 54.840 0.034 0.000 0.833 419 L CB 0.315 42.390 42.059 0.027 0.000 1.102 419 L HN 0.376 nan 8.230 nan 0.000 0.490 420 E N 2.193 122.424 120.200 0.051 0.000 2.313 420 E HA 0.180 4.530 4.350 0.000 0.000 0.272 420 E C -0.373 176.279 176.600 0.087 0.000 1.038 420 E CA -0.388 56.059 56.400 0.079 0.000 0.863 420 E CB 0.420 30.167 29.700 0.078 0.000 1.060 420 E HN 0.432 nan 8.360 nan 0.000 0.402 421 H N 1.456 120.546 119.070 0.034 0.000 2.928 421 H HA 0.049 4.605 4.556 0.000 0.000 0.338 421 H C -0.759 174.588 175.328 0.032 0.000 1.047 421 H CA 0.362 56.423 56.048 0.021 0.000 1.435 421 H CB 0.605 30.381 29.762 0.024 0.000 1.428 421 H HN 0.309 nan 8.280 nan 0.000 0.590 422 S N 6.311 121.639 115.700 -0.620 0.000 2.442 422 S HA 0.448 4.919 4.470 0.000 0.000 0.297 422 S C 0.098 174.451 174.600 -0.412 0.000 1.131 422 S CA -0.673 57.307 58.200 -0.368 0.000 1.092 422 S CB 0.691 63.760 63.200 -0.218 0.000 0.998 422 S HN 0.482 nan 8.310 nan 0.000 0.478 423 I N 2.259 122.745 120.570 -0.139 0.000 2.730 423 I HA 0.410 4.580 4.170 0.000 0.000 0.298 423 I C -0.339 175.713 176.117 -0.108 0.000 1.089 423 I CA -0.672 60.546 61.300 -0.135 0.000 1.041 423 I CB 2.173 40.109 38.000 -0.105 0.000 1.235 423 I HN 0.430 nan 8.210 nan 0.000 0.423 424 Q N 4.360 124.058 119.800 -0.170 0.000 2.322 424 Q HA 0.423 4.763 4.340 0.000 0.000 0.265 424 Q C -1.949 173.958 176.000 -0.154 0.000 0.985 424 Q CA -0.553 55.214 55.803 -0.060 0.000 0.849 424 Q CB 1.578 30.300 28.738 -0.028 0.000 1.274 424 Q HN 0.487 nan 8.270 nan 0.000 0.449 425 Y N 0.558 120.892 120.300 0.057 0.000 2.453 425 Y HA 0.383 4.933 4.550 0.000 0.000 0.326 425 Y C 0.444 176.375 175.900 0.051 0.000 1.186 425 Y CA -0.505 57.632 58.100 0.061 0.000 1.200 425 Y CB 2.057 40.549 38.460 0.053 0.000 1.247 425 Y HN 0.521 nan 8.280 nan 0.000 0.482 426 S N 0.631 116.451 115.700 0.199 0.000 2.537 426 S HA 0.835 5.305 4.470 0.000 0.000 0.301 426 S C -0.259 174.412 174.600 0.118 0.000 1.092 426 S CA 0.291 58.567 58.200 0.126 0.000 1.048 426 S CB 0.838 64.088 63.200 0.082 0.000 1.053 426 S HN 1.337 nan 8.310 nan 0.000 0.501 427 G N 2.995 111.868 108.800 0.121 0.000 2.497 427 G HA2 0.017 3.977 3.960 0.000 0.000 0.686 427 G HA3 0.017 3.977 3.960 0.000 0.000 0.686 427 G C -1.374 173.656 174.900 0.216 0.000 1.288 427 G CA -0.817 44.383 45.100 0.166 0.000 0.899 427 G HN 0.793 nan 8.290 nan 0.000 0.608 428 E N -1.147 119.230 120.200 0.295 0.000 2.349 428 E HA 0.469 4.819 4.350 0.000 0.000 0.262 428 E C 0.055 176.791 176.600 0.227 0.000 1.088 428 E CA -0.796 55.722 56.400 0.196 0.000 0.899 428 E CB 1.694 31.456 29.700 0.104 0.000 1.044 428 E HN 0.386 nan 8.360 nan 0.000 0.420 429 V N 2.971 122.949 119.914 0.106 0.000 2.372 429 V HA 0.264 4.384 4.120 0.000 0.000 0.261 429 V C 0.045 176.126 176.094 -0.022 0.000 1.055 429 V CA 0.177 62.524 62.300 0.079 0.000 0.930 429 V CB -1.114 30.734 31.823 0.041 0.000 1.031 429 V HN 0.660 nan 8.190 nan 0.000 0.479 430 R N 3.489 123.930 120.500 -0.099 0.000 2.752 430 R HA 0.579 4.919 4.340 0.000 0.000 0.277 430 R C -1.136 174.949 176.300 -0.358 0.000 1.024 430 R CA -1.274 54.662 56.100 -0.274 0.000 0.866 430 R CB 1.345 31.395 30.300 -0.417 0.000 1.278 430 R HN 0.322 nan 8.270 nan 0.000 0.473 431 R N 0.610 120.934 120.500 -0.293 0.000 2.347 431 R HA 0.281 4.621 4.340 0.000 0.000 0.304 431 R C -0.974 175.147 176.300 -0.298 0.000 1.072 431 R CA 0.005 56.003 56.100 -0.170 0.000 0.980 431 R CB 0.310 30.559 30.300 -0.085 0.000 0.986 431 R HN 0.292 nan 8.270 nan 0.000 0.448 432 F N 1.954 121.915 119.950 0.018 0.000 2.402 432 F HA 0.180 4.707 4.527 0.000 0.000 0.355 432 F C 0.679 176.496 175.800 0.028 0.000 1.123 432 F CA -1.080 56.935 58.000 0.025 0.000 1.021 432 F CB 1.067 40.085 39.000 0.031 0.000 1.160 432 F HN 0.437 nan 8.300 nan 0.000 0.451 433 N N 1.268 120.070 118.700 0.170 0.000 2.458 433 N HA 0.044 4.784 4.740 0.000 0.000 0.258 433 N C 0.672 176.257 175.510 0.125 0.000 1.219 433 N CA 0.620 53.740 53.050 0.116 0.000 0.902 433 N CB 0.749 39.281 38.487 0.075 0.000 1.076 433 N HN 0.726 nan 8.380 nan 0.000 0.455 434 T N -0.441 114.171 114.554 0.098 0.000 3.144 434 T HA 0.338 4.688 4.350 0.000 0.000 0.290 434 T C 1.262 175.997 174.700 0.058 0.000 0.966 434 T CA 0.131 62.281 62.100 0.083 0.000 0.907 434 T CB -0.154 68.767 68.868 0.089 0.000 1.152 434 T HN 0.366 nan 8.240 nan 0.000 0.532 435 A N 2.632 125.481 122.820 0.048 0.000 2.019 435 A HA -0.006 4.314 4.320 0.000 0.000 0.219 435 A C 1.904 179.497 177.584 0.016 0.000 1.164 435 A CA 1.094 53.147 52.037 0.025 0.000 0.644 435 A CB -0.487 18.523 19.000 0.016 0.000 0.805 435 A HN 0.522 nan 8.150 nan 0.000 0.449 436 N N 0.645 119.361 118.700 0.027 0.000 2.251 436 N HA 0.098 4.839 4.740 0.000 0.000 0.217 436 N C -0.707 174.821 175.510 0.030 0.000 1.124 436 N CA -0.003 53.060 53.050 0.022 0.000 0.843 436 N CB 0.036 38.537 38.487 0.023 0.000 1.024 436 N HN 0.449 nan 8.380 nan 0.000 0.501 437 D N 0.431 120.853 120.400 0.037 0.000 2.380 437 D HA -0.011 4.629 4.640 0.000 0.000 0.254 437 D C 0.203 176.531 176.300 0.046 0.000 1.288 437 D CA 0.140 54.171 54.000 0.052 0.000 1.008 437 D CB 0.601 41.438 40.800 0.062 0.000 1.099 437 D HN -0.026 nan 8.370 nan 0.000 0.537 438 D N 0.074 120.522 120.400 0.081 0.000 2.401 438 D HA -0.008 4.632 4.640 0.000 0.000 0.254 438 D C -0.060 176.230 176.300 -0.018 0.000 1.192 438 D CA 0.138 54.180 54.000 0.070 0.000 0.885 438 D CB 0.381 41.307 40.800 0.211 0.000 1.147 438 D HN 0.186 nan 8.370 nan 0.000 0.478 439 N N 2.589 121.271 118.700 -0.030 0.000 2.197 439 N HA -0.004 4.736 4.740 0.000 0.000 0.201 439 N C 1.230 176.690 175.510 -0.083 0.000 1.148 439 N CA 0.252 53.262 53.050 -0.067 0.000 0.883 439 N CB 1.085 39.535 38.487 -0.061 0.000 1.012 439 N HN 0.416 nan 8.380 nan 0.000 0.507 440 V N -3.381 116.499 119.914 -0.057 0.000 3.058 440 V HA 0.180 4.300 4.120 0.000 0.000 0.233 440 V C 1.992 178.064 176.094 -0.036 0.000 1.255 440 V CA 0.569 62.846 62.300 -0.039 0.000 1.267 440 V CB -0.589 31.231 31.823 -0.006 0.000 1.049 440 V HN -0.121 nan 8.190 nan 0.000 0.486 441 T N 1.095 115.652 114.554 0.004 0.000 2.481 441 T HA -0.375 3.975 4.350 0.000 0.000 0.252 441 T C 1.915 176.605 174.700 -0.016 0.000 1.242 441 T CA 3.068 65.199 62.100 0.052 0.000 1.170 441 T CB -0.630 68.359 68.868 0.201 0.000 0.860 441 T HN 0.615 nan 8.240 nan 0.000 0.422 442 Q N 0.066 119.762 119.800 -0.173 0.000 2.364 442 Q HA -0.062 4.278 4.340 0.000 0.000 0.209 442 Q C 2.424 178.182 176.000 -0.403 0.000 0.977 442 Q CA 0.825 56.454 55.803 -0.289 0.000 0.885 442 Q CB -0.197 28.245 28.738 -0.494 0.000 0.941 442 Q HN 0.428 nan 8.270 nan 0.000 0.464 443 V N 0.085 119.782 119.914 -0.362 0.000 2.446 443 V HA -0.180 3.940 4.120 0.000 0.000 0.244 443 V C 2.193 178.382 176.094 0.159 0.000 1.039 443 V CA 1.493 63.703 62.300 -0.151 0.000 1.045 443 V CB -0.507 31.285 31.823 -0.051 0.000 0.681 443 V HN 0.281 nan 8.190 nan 0.000 0.459 444 R N 0.643 121.219 120.500 0.126 0.000 2.120 444 R HA -0.131 4.209 4.340 0.000 0.000 0.234 444 R C 2.198 178.623 176.300 0.209 0.000 1.123 444 R CA 1.502 57.725 56.100 0.206 0.000 0.975 444 R CB -0.309 30.085 30.300 0.157 0.000 0.866 444 R HN 0.491 nan 8.270 nan 0.000 0.446 445 A N 0.338 123.250 122.820 0.153 0.000 1.898 445 A HA -0.157 4.163 4.320 0.000 0.000 0.216 445 A C 1.906 179.592 177.584 0.170 0.000 1.181 445 A CA 1.037 53.159 52.037 0.142 0.000 0.620 445 A CB -0.673 18.401 19.000 0.122 0.000 0.819 445 A HN 0.522 nan 8.150 nan 0.000 0.442 446 F N -1.042 118.960 119.950 0.087 0.000 2.186 446 F HA -0.136 4.391 4.527 0.000 0.000 0.299 446 F C 2.079 177.929 175.800 0.083 0.000 1.090 446 F CA 1.745 59.814 58.000 0.114 0.000 1.307 446 F CB -0.401 38.721 39.000 0.203 0.000 1.019 446 F HN 0.359 nan 8.300 nan 0.000 0.489 447 Y N -0.106 120.192 120.300 -0.002 0.000 2.220 447 Y HA -0.110 4.440 4.550 0.000 0.000 0.291 447 Y C 2.046 177.807 175.900 -0.233 0.000 1.129 447 Y CA 2.029 60.008 58.100 -0.202 0.000 1.161 447 Y CB -0.385 37.984 38.460 -0.151 0.000 0.997 447 Y HN -0.065 nan 8.280 nan 0.000 0.522 448 V N 0.237 120.135 119.914 -0.028 0.000 2.500 448 V HA -0.173 3.947 4.120 0.000 0.000 0.243 448 V C 1.523 177.545 176.094 -0.121 0.000 1.039 448 V CA 2.024 64.275 62.300 -0.081 0.000 1.053 448 V CB -0.494 31.392 31.823 0.106 0.000 0.695 448 V HN 0.404 nan 8.190 nan 0.000 0.463 449 N N -0.002 118.655 118.700 -0.072 0.000 2.182 449 N HA -0.077 4.663 4.740 0.000 0.000 0.186 449 N C 1.756 177.195 175.510 -0.118 0.000 1.036 449 N CA 1.176 54.187 53.050 -0.064 0.000 0.850 449 N CB -0.085 38.403 38.487 0.002 0.000 1.010 449 N HN 0.205 nan 8.380 nan 0.000 0.432 450 V N 2.609 122.427 119.914 -0.160 0.000 2.216 450 V HA -0.145 3.975 4.120 0.000 0.000 0.243 450 V C 1.184 177.102 176.094 -0.293 0.000 1.044 450 V CA 1.197 63.374 62.300 -0.205 0.000 0.995 450 V CB -0.693 30.970 31.823 -0.267 0.000 0.633 450 V HN 0.227 nan 8.190 nan 0.000 0.446 451 L N 2.007 122.935 121.223 -0.491 0.000 2.453 451 L HA 0.160 4.500 4.340 0.000 0.000 0.272 451 L C 0.503 177.172 176.870 -0.335 0.000 1.182 451 L CA -0.150 54.425 54.840 -0.443 0.000 0.858 451 L CB -0.092 41.609 42.059 -0.597 0.000 1.120 451 L HN 0.560 nan 8.230 nan 0.000 0.474 452 N N 1.039 119.591 118.700 -0.246 0.000 2.495 452 N HA 0.056 4.796 4.740 0.000 0.000 0.294 452 N C 0.524 175.902 175.510 -0.220 0.000 1.276 452 N CA -0.593 52.341 53.050 -0.194 0.000 0.973 452 N CB 0.429 38.837 38.487 -0.131 0.000 1.143 452 N HN 0.457 nan 8.380 nan 0.000 0.589 453 E N -0.520 119.579 120.200 -0.169 0.000 2.072 453 E HA -0.105 4.245 4.350 0.000 0.000 0.190 453 E C 1.258 177.783 176.600 -0.126 0.000 0.982 453 E CA 1.260 57.563 56.400 -0.162 0.000 0.803 453 E CB -0.261 29.365 29.700 -0.123 0.000 0.755 453 E HN 0.656 nan 8.360 nan 0.000 0.453 454 E N 0.065 120.207 120.200 -0.098 0.000 2.097 454 E HA -0.274 4.076 4.350 0.000 0.000 0.196 454 E C 2.185 178.743 176.600 -0.071 0.000 1.000 454 E CA 1.520 57.880 56.400 -0.068 0.000 0.804 454 E CB -0.115 29.552 29.700 -0.057 0.000 0.740 454 E HN 0.427 nan 8.360 nan 0.000 0.454 455 Q N 0.226 119.961 119.800 -0.108 0.000 2.016 455 Q HA -0.114 4.226 4.340 0.000 0.000 0.200 455 Q C 2.284 178.203 176.000 -0.135 0.000 0.978 455 Q CA 1.011 56.743 55.803 -0.119 0.000 0.833 455 Q CB -0.159 28.479 28.738 -0.167 0.000 0.895 455 Q HN 0.189 nan 8.270 nan 0.000 0.427 456 R N 1.032 121.395 120.500 -0.228 0.000 2.083 456 R HA -0.163 4.177 4.340 0.000 0.000 0.237 456 R C 2.334 178.611 176.300 -0.038 0.000 1.137 456 R CA 1.483 57.423 56.100 -0.267 0.000 0.951 456 R CB -0.322 29.695 30.300 -0.472 0.000 0.851 456 R HN 0.169 nan 8.270 nan 0.000 0.434 457 K N 1.070 121.470 120.400 0.001 0.000 1.987 457 K HA -0.247 4.073 4.320 0.000 0.000 0.216 457 K C 2.232 178.887 176.600 0.092 0.000 1.051 457 K CA 1.818 58.183 56.287 0.129 0.000 0.942 457 K CB -0.142 32.400 32.500 0.071 0.000 0.722 457 K HN -0.045 nan 8.250 nan 0.000 0.444 458 R N 0.319 120.844 120.500 0.042 0.000 2.133 458 R HA -0.191 4.149 4.340 0.000 0.000 0.247 458 R C 2.386 178.726 176.300 0.068 0.000 1.151 458 R CA 1.695 57.821 56.100 0.045 0.000 0.971 458 R CB -0.449 29.865 30.300 0.023 0.000 0.866 458 R HN 0.309 nan 8.270 nan 0.000 0.447 459 L N 0.042 121.303 121.223 0.063 0.000 1.994 459 L HA -0.204 4.136 4.340 0.000 0.000 0.208 459 L C 1.989 178.916 176.870 0.095 0.000 1.071 459 L CA 1.823 56.734 54.840 0.118 0.000 0.745 459 L CB -0.920 41.202 42.059 0.106 0.000 0.892 459 L HN 0.252 nan 8.230 nan 0.000 0.431 460 C N 0.236 119.561 119.300 0.041 0.000 2.425 460 C HA -0.118 4.342 4.460 0.000 0.000 0.277 460 C C 2.528 177.430 174.990 -0.146 0.000 1.280 460 C CA 0.931 59.889 59.018 -0.101 0.000 1.744 460 C CB -1.039 26.553 27.740 -0.247 0.000 1.989 460 C HN 0.624 nan 8.230 nan 0.000 0.491 461 E N 1.222 121.386 120.200 -0.060 0.000 2.047 461 E HA -0.164 4.186 4.350 0.000 0.000 0.191 461 E C 1.761 178.414 176.600 0.088 0.000 0.987 461 E CA 1.006 57.411 56.400 0.009 0.000 0.799 461 E CB -0.375 29.354 29.700 0.047 0.000 0.752 461 E HN 0.635 nan 8.360 nan 0.000 0.449 462 N N 1.239 120.022 118.700 0.137 0.000 2.104 462 N HA -0.135 4.605 4.740 0.000 0.000 0.190 462 N C 2.031 177.728 175.510 0.313 0.000 1.024 462 N CA 0.998 54.208 53.050 0.267 0.000 0.853 462 N CB -0.258 38.440 38.487 0.350 0.000 1.008 462 N HN 0.199 nan 8.380 nan 0.000 0.424 463 I N 1.246 121.856 120.570 0.066 0.000 2.113 463 I HA -0.232 3.938 4.170 0.000 0.000 0.238 463 I C 2.399 178.381 176.117 -0.225 0.000 1.070 463 I CA 1.108 62.206 61.300 -0.336 0.000 1.332 463 I CB -0.420 37.267 38.000 -0.521 0.000 1.044 463 I HN 0.056 nan 8.210 nan 0.000 0.402 464 A N 0.980 123.687 122.820 -0.189 0.000 1.940 464 A HA -0.179 4.141 4.320 0.000 0.000 0.219 464 A C 2.389 179.884 177.584 -0.147 0.000 1.176 464 A CA 1.981 53.928 52.037 -0.151 0.000 0.631 464 A CB -1.514 17.471 19.000 -0.025 0.000 0.814 464 A HN 0.510 nan 8.150 nan 0.000 0.446 465 G N -2.219 106.565 108.800 -0.026 0.000 2.479 465 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 465 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 465 G C 1.543 176.369 174.900 -0.123 0.000 1.115 465 G CA 1.329 46.337 45.100 -0.153 0.000 0.757 465 G HN 0.699 nan 8.290 nan 0.000 0.560 466 H N -0.537 118.518 119.070 -0.025 0.000 2.545 466 H HA 0.174 4.730 4.556 0.000 0.000 0.283 466 H C 2.204 177.545 175.328 0.023 0.000 0.997 466 H CA 0.360 56.492 56.048 0.139 0.000 1.269 466 H CB 0.019 30.096 29.762 0.525 0.000 1.451 466 H HN 0.206 nan 8.280 nan 0.000 0.508 467 L N 2.430 123.610 121.223 -0.070 0.000 2.275 467 L HA -0.092 4.248 4.340 0.000 0.000 0.215 467 L C 2.074 178.702 176.870 -0.402 0.000 1.119 467 L CA 1.658 56.097 54.840 -0.667 0.000 0.790 467 L CB -0.369 41.062 42.059 -1.046 0.000 0.919 467 L HN 0.196 nan 8.230 nan 0.000 0.443 468 K N -1.863 118.347 120.400 -0.317 0.000 2.365 468 K HA -0.063 4.257 4.320 0.000 0.000 0.199 468 K C 1.314 177.794 176.600 -0.200 0.000 1.045 468 K CA 1.453 57.574 56.287 -0.277 0.000 0.962 468 K CB -0.627 31.602 32.500 -0.451 0.000 0.759 468 K HN 0.259 nan 8.250 nan 0.000 0.469 469 D N 0.966 121.260 120.400 -0.177 0.000 2.347 469 D HA 0.056 4.696 4.640 0.000 0.000 0.215 469 D C 0.172 176.435 176.300 -0.063 0.000 0.976 469 D CA 0.629 54.560 54.000 -0.116 0.000 0.884 469 D CB 0.133 40.855 40.800 -0.130 0.000 0.915 469 D HN 0.418 nan 8.370 nan 0.000 0.526 470 A N 0.738 123.518 122.820 -0.067 0.000 2.340 470 A HA 0.216 4.536 4.320 0.000 0.000 0.268 470 A C 0.527 178.053 177.584 -0.096 0.000 1.100 470 A CA -0.430 51.575 52.037 -0.052 0.000 0.803 470 A CB 0.599 19.570 19.000 -0.047 0.000 1.043 470 A HN -0.006 nan 8.150 nan 0.000 0.488 471 Q N 0.408 120.146 119.800 -0.103 0.000 2.428 471 Q HA 0.047 4.387 4.340 0.000 0.000 0.276 471 Q C 0.846 176.771 176.000 -0.124 0.000 1.059 471 Q CA 0.136 55.896 55.803 -0.071 0.000 0.923 471 Q CB 0.416 29.151 28.738 -0.005 0.000 1.283 471 Q HN 0.709 nan 8.270 nan 0.000 0.447 472 I N 1.059 121.624 120.570 -0.008 0.000 2.208 472 I HA -0.328 3.842 4.170 0.000 0.000 0.245 472 I C 2.017 178.146 176.117 0.021 0.000 1.097 472 I CA 1.370 62.673 61.300 0.004 0.000 1.363 472 I CB -0.392 37.640 38.000 0.053 0.000 1.051 472 I HN 0.712 nan 8.210 nan 0.000 0.413 473 F N 1.058 121.015 119.950 0.012 0.000 2.171 473 F HA -0.147 4.380 4.527 0.000 0.000 0.300 473 F C 2.150 177.965 175.800 0.025 0.000 1.090 473 F CA 1.263 59.272 58.000 0.016 0.000 1.293 473 F CB -0.943 38.068 39.000 0.018 0.000 1.013 473 F HN -0.084 nan 8.300 nan 0.000 0.486 474 I N 0.651 120.661 120.570 -0.933 0.000 2.202 474 I HA -0.254 3.916 4.170 0.000 0.000 0.242 474 I C 2.618 178.593 176.117 -0.236 0.000 1.091 474 I CA 1.460 62.376 61.300 -0.640 0.000 1.368 474 I CB -0.721 36.926 38.000 -0.589 0.000 1.058 474 I HN 0.288 nan 8.210 nan 0.000 0.410 475 Q N 0.703 120.376 119.800 -0.211 0.000 2.061 475 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 475 Q C 2.272 178.221 176.000 -0.085 0.000 0.984 475 Q CA 1.340 57.046 55.803 -0.162 0.000 0.846 475 Q CB -0.141 28.513 28.738 -0.140 0.000 0.902 475 Q HN 0.367 nan 8.270 nan 0.000 0.421 476 K N 1.200 121.577 120.400 -0.039 0.000 2.000 476 K HA -0.217 4.103 4.320 0.000 0.000 0.218 476 K C 1.959 178.562 176.600 0.005 0.000 1.053 476 K CA 1.431 57.721 56.287 0.005 0.000 0.946 476 K CB -0.535 31.996 32.500 0.052 0.000 0.723 476 K HN 0.128 nan 8.250 nan 0.000 0.446 477 K N 0.407 120.819 120.400 0.020 0.000 2.113 477 K HA -0.167 4.153 4.320 0.000 0.000 0.208 477 K C 2.111 178.700 176.600 -0.019 0.000 1.047 477 K CA 1.386 57.683 56.287 0.017 0.000 0.928 477 K CB -0.125 32.405 32.500 0.050 0.000 0.716 477 K HN 0.225 nan 8.250 nan 0.000 0.446 478 A N 0.404 123.214 122.820 -0.018 0.000 1.845 478 A HA -0.144 4.176 4.320 0.000 0.000 0.215 478 A C 2.184 179.747 177.584 -0.036 0.000 1.195 478 A CA 1.877 53.892 52.037 -0.038 0.000 0.616 478 A CB -0.780 18.217 19.000 -0.005 0.000 0.832 478 A HN 0.154 nan 8.150 nan 0.000 0.443 479 V N 0.401 120.343 119.914 0.047 0.000 2.568 479 V HA -0.259 3.861 4.120 0.000 0.000 0.253 479 V C 2.443 178.556 176.094 0.033 0.000 1.072 479 V CA 2.279 64.636 62.300 0.095 0.000 1.084 479 V CB -0.784 31.051 31.823 0.020 0.000 0.676 479 V HN 0.633 nan 8.190 nan 0.000 0.469 480 K N 0.325 120.717 120.400 -0.013 0.000 2.097 480 K HA -0.164 4.156 4.320 0.000 0.000 0.205 480 K C 2.010 178.571 176.600 -0.065 0.000 1.050 480 K CA 1.459 57.731 56.287 -0.026 0.000 0.938 480 K CB -0.060 32.428 32.500 -0.019 0.000 0.718 480 K HN 0.482 nan 8.250 nan 0.000 0.442 481 N N 0.161 118.774 118.700 -0.145 0.000 2.207 481 N HA -0.098 4.642 4.740 0.000 0.000 0.182 481 N C 1.671 177.023 175.510 -0.263 0.000 1.020 481 N CA 1.010 53.924 53.050 -0.227 0.000 0.858 481 N CB -0.355 37.929 38.487 -0.337 0.000 0.991 481 N HN 0.089 nan 8.380 nan 0.000 0.427 482 F N 1.832 121.634 119.950 -0.247 0.000 2.126 482 F HA -0.097 4.430 4.527 0.000 0.000 0.299 482 F C 2.526 178.161 175.800 -0.276 0.000 1.096 482 F CA 0.982 58.699 58.000 -0.471 0.000 1.255 482 F CB -1.109 37.458 39.000 -0.722 0.000 0.997 482 F HN -0.002 nan 8.300 nan 0.000 0.479 483 T N -0.767 113.801 114.554 0.023 0.000 2.833 483 T HA -0.155 4.195 4.350 0.000 0.000 0.269 483 T C 1.876 176.589 174.700 0.022 0.000 1.054 483 T CA 1.152 63.275 62.100 0.038 0.000 1.135 483 T CB -0.170 68.714 68.868 0.027 0.000 0.869 483 T HN 0.182 nan 8.240 nan 0.000 0.466 484 E N 0.628 120.821 120.200 -0.012 0.000 2.150 484 E HA -0.062 4.288 4.350 0.000 0.000 0.193 484 E C 2.336 178.942 176.600 0.009 0.000 0.985 484 E CA 0.654 57.044 56.400 -0.017 0.000 0.814 484 E CB -0.129 29.545 29.700 -0.044 0.000 0.752 484 E HN 0.350 nan 8.360 nan 0.000 0.466 485 V N -0.119 119.818 119.914 0.039 0.000 2.379 485 V HA -0.086 4.034 4.120 0.000 0.000 0.245 485 V C 1.038 177.234 176.094 0.171 0.000 1.044 485 V CA 1.171 63.538 62.300 0.111 0.000 1.036 485 V CB -0.223 31.726 31.823 0.210 0.000 0.664 485 V HN 0.271 nan 8.190 nan 0.000 0.453 486 H N -1.135 117.959 119.070 0.040 0.000 3.139 486 H HA 0.153 4.709 4.556 0.000 0.000 0.325 486 H C -2.571 172.781 175.328 0.041 0.000 1.146 486 H CA -0.883 55.187 56.048 0.037 0.000 1.351 486 H CB 2.121 31.891 29.762 0.013 0.000 2.005 486 H HN -0.141 nan 8.280 nan 0.000 0.517 487 P HA -0.117 nan 4.420 nan 0.000 0.219 487 P C 0.594 178.077 177.300 0.306 0.000 1.146 487 P CA 1.142 64.349 63.100 0.178 0.000 0.808 487 P CB 0.659 32.383 31.700 0.041 0.000 0.779 488 D N -1.612 119.136 120.400 0.580 0.000 2.162 488 D HA -0.126 4.514 4.640 0.000 0.000 0.203 488 D C 1.936 178.372 176.300 0.227 0.000 0.967 488 D CA 0.688 54.850 54.000 0.270 0.000 0.840 488 D CB -0.964 39.898 40.800 0.104 0.000 0.972 488 D HN 0.073 nan 8.370 nan 0.000 0.482 489 Y N 1.968 122.217 120.300 -0.085 0.000 2.089 489 Y HA -0.115 4.435 4.550 0.000 0.000 0.282 489 Y C 2.358 178.198 175.900 -0.101 0.000 1.139 489 Y CA 1.796 59.721 58.100 -0.291 0.000 1.123 489 Y CB -0.849 37.163 38.460 -0.747 0.000 0.980 489 Y HN -0.030 nan 8.280 nan 0.000 0.493 490 G N -0.705 108.143 108.800 0.081 0.000 2.421 490 G HA2 -0.290 3.670 3.960 0.000 0.000 0.216 490 G HA3 -0.290 3.670 3.960 0.000 0.000 0.216 490 G C 1.962 176.887 174.900 0.042 0.000 1.171 490 G CA 1.841 46.952 45.100 0.019 0.000 0.775 490 G HN 0.532 nan 8.290 nan 0.000 0.543 491 S N -0.392 115.365 115.700 0.096 0.000 2.368 491 S HA -0.219 4.251 4.470 0.000 0.000 0.225 491 S C 2.057 176.736 174.600 0.130 0.000 1.030 491 S CA 1.764 60.021 58.200 0.095 0.000 0.999 491 S CB -0.903 62.357 63.200 0.100 0.000 0.844 491 S HN 0.666 nan 8.310 nan 0.000 0.459 492 H N 0.872 119.966 119.070 0.039 0.000 2.353 492 H HA 0.014 4.570 4.556 0.000 0.000 0.300 492 H C 2.097 177.423 175.328 -0.004 0.000 1.090 492 H CA 1.586 57.651 56.048 0.028 0.000 1.327 492 H CB -0.154 29.644 29.762 0.059 0.000 1.383 492 H HN 0.439 nan 8.280 nan 0.000 0.508 493 I N 0.691 121.209 120.570 -0.087 0.000 2.163 493 I HA -0.291 3.879 4.170 0.000 0.000 0.243 493 I C 2.769 178.815 176.117 -0.118 0.000 1.085 493 I CA 1.363 62.529 61.300 -0.225 0.000 1.347 493 I CB -0.325 37.465 38.000 -0.349 0.000 1.044 493 I HN 0.339 nan 8.210 nan 0.000 0.408 494 Q N 1.313 121.080 119.800 -0.055 0.000 2.077 494 Q HA -0.237 4.103 4.340 0.000 0.000 0.206 494 Q C 2.144 178.144 176.000 -0.001 0.000 0.989 494 Q CA 2.597 58.387 55.803 -0.022 0.000 0.853 494 Q CB -0.511 28.230 28.738 0.005 0.000 0.907 494 Q HN 0.507 nan 8.270 nan 0.000 0.418 495 A N 0.204 123.041 122.820 0.029 0.000 1.859 495 A HA -0.213 4.107 4.320 0.000 0.000 0.217 495 A C 2.236 179.825 177.584 0.008 0.000 1.198 495 A CA 1.839 53.902 52.037 0.043 0.000 0.629 495 A CB -1.101 17.968 19.000 0.116 0.000 0.830 495 A HN 0.466 nan 8.150 nan 0.000 0.446 496 L N -0.703 120.510 121.223 -0.018 0.000 2.012 496 L HA -0.240 4.100 4.340 0.000 0.000 0.210 496 L C 2.680 179.554 176.870 0.007 0.000 1.073 496 L CA 1.445 56.250 54.840 -0.059 0.000 0.748 496 L CB -0.645 41.358 42.059 -0.092 0.000 0.891 496 L HN 0.409 nan 8.230 nan 0.000 0.431 497 L N -0.525 120.735 121.223 0.061 0.000 2.013 497 L HA -0.295 4.045 4.340 0.000 0.000 0.212 497 L C 2.363 179.284 176.870 0.085 0.000 1.073 497 L CA 1.341 56.254 54.840 0.121 0.000 0.753 497 L CB -0.808 41.255 42.059 0.007 0.000 0.890 497 L HN 0.347 nan 8.230 nan 0.000 0.432 498 D N 0.046 120.461 120.400 0.025 0.000 2.149 498 D HA -0.188 4.452 4.640 0.000 0.000 0.194 498 D C 2.164 178.462 176.300 -0.004 0.000 1.001 498 D CA 1.191 55.198 54.000 0.012 0.000 0.849 498 D CB -0.117 40.685 40.800 0.002 0.000 0.939 498 D HN 0.263 nan 8.370 nan 0.000 0.449 499 K N 0.229 120.597 120.400 -0.054 0.000 2.057 499 K HA -0.125 4.195 4.320 0.000 0.000 0.206 499 K C 2.238 178.780 176.600 -0.097 0.000 1.050 499 K CA 0.711 56.928 56.287 -0.118 0.000 0.935 499 K CB -0.886 31.476 32.500 -0.229 0.000 0.715 499 K HN 0.326 nan 8.250 nan 0.000 0.439 500 Y N 2.146 122.430 120.300 -0.026 0.000 2.181 500 Y HA -0.102 4.448 4.550 0.000 0.000 0.288 500 Y C 1.965 177.850 175.900 -0.025 0.000 1.146 500 Y CA 1.065 59.149 58.100 -0.028 0.000 1.164 500 Y CB -0.466 37.969 38.460 -0.041 0.000 0.982 500 Y HN 0.166 nan 8.280 nan 0.000 0.515 501 N N 0.029 118.810 118.700 0.135 0.000 2.459 501 N HA 0.029 4.769 4.740 0.000 0.000 0.181 501 N C 0.797 176.334 175.510 0.044 0.000 1.046 501 N CA 0.723 53.814 53.050 0.069 0.000 0.904 501 N CB -0.255 38.258 38.487 0.043 0.000 0.964 501 N HN 0.205 nan 8.380 nan 0.000 0.444 502 A N 0.000 122.840 122.820 0.033 0.000 2.254 502 A HA 0.000 4.320 4.320 0.000 0.000 0.244 502 A CA 0.000 52.046 52.037 0.015 0.000 0.836 502 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 502 A HN 0.000 nan 8.150 nan 0.000 0.486