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 3e68_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTXXX XSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIW 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.264 176.000 0.440 0.000 1.003 77 Q CA 0.000 55.888 55.803 0.141 0.000 1.022 77 Q CB 0.000 28.767 28.738 0.049 0.000 1.108 78 Y N -1.928 118.537 120.300 0.274 0.000 2.638 78 Y HA 0.614 5.164 4.550 0.000 0.000 0.334 78 Y C -1.797 174.203 175.900 0.166 0.000 1.182 78 Y CA -1.245 57.012 58.100 0.262 0.000 1.102 78 Y CB 0.611 39.165 38.460 0.156 0.000 1.343 78 Y HN -0.198 nan 8.280 nan 0.000 0.463 79 V N 3.839 123.964 119.914 0.352 0.000 2.539 79 V HA 0.521 4.641 4.120 0.000 0.000 0.292 79 V C 0.123 176.445 176.094 0.380 0.000 1.045 79 V CA -0.784 61.600 62.300 0.140 0.000 0.945 79 V CB 1.434 33.157 31.823 -0.165 0.000 0.993 79 V HN 0.832 nan 8.190 nan 0.000 0.464 80 R N 4.125 124.814 120.500 0.315 0.000 2.254 80 R HA 0.613 4.953 4.340 0.000 0.000 0.318 80 R C -1.189 175.221 176.300 0.183 0.000 1.031 80 R CA -0.347 55.977 56.100 0.373 0.000 0.905 80 R CB 0.636 31.143 30.300 0.344 0.000 1.050 80 R HN 0.706 nan 8.270 nan 0.000 0.456 81 I N 3.923 124.565 120.570 0.120 0.000 2.509 81 I HA 0.335 4.506 4.170 0.000 0.000 0.293 81 I C -0.543 175.580 176.117 0.011 0.000 1.020 81 I CA -0.768 60.577 61.300 0.074 0.000 1.088 81 I CB 2.145 40.180 38.000 0.059 0.000 1.267 81 I HN 0.554 nan 8.210 nan 0.000 0.430 82 K N 5.153 125.564 120.400 0.018 0.000 2.318 82 K HA 0.360 4.680 4.320 0.000 0.000 0.249 82 K C -1.001 175.527 176.600 -0.121 0.000 0.942 82 K CA -0.719 55.480 56.287 -0.146 0.000 0.808 82 K CB 1.701 33.972 32.500 -0.382 0.000 1.189 82 K HN 0.492 nan 8.250 nan 0.000 0.428 83 N N 3.921 122.510 118.700 -0.186 0.000 2.546 83 N HA 0.097 4.837 4.740 0.000 0.000 0.238 83 N C -0.469 174.960 175.510 -0.136 0.000 0.984 83 N CA -0.369 52.646 53.050 -0.057 0.000 0.935 83 N CB 0.342 38.812 38.487 -0.028 0.000 1.122 83 N HN 0.620 nan 8.380 nan 0.000 0.510 84 W N 2.483 123.801 121.300 0.030 0.000 2.982 84 W HA 0.187 4.848 4.660 0.000 0.000 0.239 84 W C 1.778 178.312 176.519 0.026 0.000 1.303 84 W CA -0.054 57.310 57.345 0.032 0.000 1.448 84 W CB 0.114 29.595 29.460 0.035 0.000 1.133 84 W HN 0.622 nan 8.180 nan 0.000 0.698 85 G N -0.851 108.033 108.800 0.141 0.000 2.763 85 G HA2 -0.105 3.855 3.960 0.000 0.000 0.205 85 G HA3 -0.105 3.855 3.960 0.000 0.000 0.205 85 G C 1.501 176.430 174.900 0.048 0.000 1.137 85 G CA 0.649 45.809 45.100 0.100 0.000 0.839 85 G HN 0.204 nan 8.290 nan 0.000 0.596 86 S N -0.367 115.343 115.700 0.016 0.000 2.501 86 S HA 0.340 4.810 4.470 0.000 0.000 0.220 86 S C 2.057 176.633 174.600 -0.041 0.000 0.997 86 S CA 1.144 59.340 58.200 -0.007 0.000 0.919 86 S CB 0.092 63.286 63.200 -0.010 0.000 0.778 86 S HN 1.582 nan 8.310 nan 0.000 0.523 87 G N 1.297 110.045 108.800 -0.087 0.000 2.245 87 G HA2 -0.363 3.597 3.960 0.000 0.000 0.264 87 G HA3 -0.363 3.597 3.960 0.000 0.000 0.264 87 G C -0.053 174.749 174.900 -0.163 0.000 0.985 87 G CA 0.467 45.475 45.100 -0.153 0.000 0.625 87 G HN 0.750 nan 8.290 nan 0.000 0.536 88 E N 0.660 120.790 120.200 -0.116 0.000 2.437 88 E HA 0.303 4.653 4.350 0.000 0.000 0.263 88 E C 0.262 176.777 176.600 -0.142 0.000 1.030 88 E CA -0.132 56.203 56.400 -0.108 0.000 0.934 88 E CB 0.146 29.801 29.700 -0.075 0.000 0.943 88 E HN 0.238 nan 8.360 nan 0.000 0.444 89 I N 4.644 125.124 120.570 -0.149 0.000 2.603 89 I HA 0.394 4.564 4.170 0.000 0.000 0.300 89 I C -0.053 175.915 176.117 -0.249 0.000 1.017 89 I CA -0.661 60.528 61.300 -0.185 0.000 1.098 89 I CB 1.233 39.123 38.000 -0.183 0.000 1.279 89 I HN 0.552 nan 8.210 nan 0.000 0.437 90 L N 4.414 125.486 121.223 -0.252 0.000 2.409 90 L HA 0.470 4.810 4.340 0.000 0.000 0.262 90 L C -0.992 175.718 176.870 -0.267 0.000 0.992 90 L CA -0.829 53.850 54.840 -0.267 0.000 0.817 90 L CB 2.605 44.602 42.059 -0.104 0.000 1.350 90 L HN 0.460 nan 8.230 nan 0.000 0.411 91 H N 1.216 120.223 119.070 -0.105 0.000 2.511 91 H HA 0.255 4.811 4.556 0.000 0.000 0.328 91 H C -1.183 174.130 175.328 -0.024 0.000 1.044 91 H CA -0.636 55.309 56.048 -0.171 0.000 1.212 91 H CB 2.141 31.447 29.762 -0.759 0.000 1.428 91 H HN 0.446 nan 8.280 nan 0.000 0.483 92 D N 2.364 122.908 120.400 0.240 0.000 2.317 92 D HA 0.070 4.710 4.640 0.000 0.000 0.234 92 D C 0.792 177.305 176.300 0.354 0.000 1.112 92 D CA -0.148 53.980 54.000 0.214 0.000 0.840 92 D CB 1.246 42.115 40.800 0.115 0.000 1.078 92 D HN 0.667 nan 8.370 nan 0.000 0.486 93 T N 0.935 115.637 114.554 0.247 0.000 2.978 93 T HA 0.039 4.389 4.350 0.000 0.000 0.248 93 T C 2.161 176.866 174.700 0.007 0.000 1.018 93 T CA -0.230 61.965 62.100 0.158 0.000 1.026 93 T CB -0.106 68.889 68.868 0.211 0.000 1.032 93 T HN 0.339 nan 8.240 nan 0.000 0.485 94 L N 2.343 123.623 121.223 0.096 0.000 2.129 94 L HA -0.190 4.150 4.340 0.000 0.000 0.212 94 L C 2.982 179.869 176.870 0.029 0.000 1.087 94 L CA 2.047 56.928 54.840 0.069 0.000 0.757 94 L CB -0.528 41.584 42.059 0.088 0.000 0.896 94 L HN 0.593 nan 8.230 nan 0.000 0.434 95 H N -2.256 116.789 119.070 -0.042 0.000 2.543 95 H HA -0.214 4.342 4.556 0.000 0.000 0.286 95 H C 1.552 176.873 175.328 -0.012 0.000 1.037 95 H CA 1.553 57.584 56.048 -0.027 0.000 1.250 95 H CB -0.989 28.743 29.762 -0.051 0.000 1.373 95 H HN 0.564 nan 8.280 nan 0.000 0.580 96 H N 1.113 119.910 119.070 -0.455 0.000 2.521 96 H HA 0.048 4.604 4.556 0.000 0.000 0.286 96 H C 1.393 176.668 175.328 -0.088 0.000 1.034 96 H CA 0.822 56.693 56.048 -0.295 0.000 1.278 96 H CB 0.350 29.958 29.762 -0.257 0.000 1.386 96 H HN 0.360 nan 8.280 nan 0.000 0.567 97 K N 0.723 121.161 120.400 0.063 0.000 2.437 97 K HA 0.245 4.566 4.320 0.000 0.000 0.198 97 K C 0.432 177.084 176.600 0.088 0.000 1.024 97 K CA -0.193 56.136 56.287 0.070 0.000 1.148 97 K CB 0.801 33.337 32.500 0.060 0.000 0.860 97 K HN 0.135 nan 8.250 nan 0.000 0.515 98 A N 1.342 124.233 122.820 0.118 0.000 2.466 98 A HA 0.118 4.438 4.320 0.000 0.000 0.238 98 A C 0.462 178.156 177.584 0.182 0.000 1.074 98 A CA 0.105 52.255 52.037 0.188 0.000 0.774 98 A CB 0.256 19.425 19.000 0.282 0.000 1.015 98 A HN 0.124 nan 8.150 nan 0.000 0.498 99 T N 0.860 115.551 114.554 0.228 0.000 2.754 99 T HA 0.323 4.673 4.350 0.000 0.000 0.286 99 T C 0.975 175.811 174.700 0.227 0.000 0.997 99 T CA 0.480 62.694 62.100 0.190 0.000 0.982 99 T CB 0.549 69.504 68.868 0.146 0.000 1.027 99 T HN 1.091 nan 8.240 nan 0.000 0.529 100 S N 1.495 117.286 115.700 0.153 0.000 2.711 100 S HA -0.141 4.329 4.470 0.000 0.000 0.320 100 S C 0.340 175.015 174.600 0.124 0.000 1.240 100 S CA -0.291 57.976 58.200 0.111 0.000 1.034 100 S CB -0.173 63.081 63.200 0.091 0.000 0.741 100 S HN 0.702 nan 8.310 nan 0.000 0.496 101 D N 3.502 123.890 120.400 -0.020 0.000 2.662 101 D HA -0.027 4.613 4.640 0.000 0.000 0.237 101 D C 0.736 176.985 176.300 -0.085 0.000 1.154 101 D CA 0.593 54.478 54.000 -0.193 0.000 0.861 101 D CB 0.041 40.756 40.800 -0.141 0.000 1.146 101 D HN 0.498 nan 8.370 nan 0.000 0.518 102 F N 2.005 121.966 119.950 0.018 0.000 2.463 102 F HA 0.300 4.827 4.527 0.000 0.000 0.225 102 F C 1.341 177.146 175.800 0.009 0.000 1.146 102 F CA -0.471 57.536 58.000 0.012 0.000 0.956 102 F CB -0.804 38.203 39.000 0.011 0.000 1.076 102 F HN 0.054 nan 8.300 nan 0.000 0.649 109 C N 5.531 124.930 119.300 0.166 0.000 2.624 109 C HA 0.395 4.855 4.460 0.000 0.000 0.397 109 C C 0.935 175.972 174.990 0.078 0.000 1.331 109 C CA -0.111 58.973 59.018 0.110 0.000 1.716 109 C CB -1.521 26.300 27.740 0.136 0.000 2.452 109 C HN 0.742 nan 8.230 nan 0.000 0.586 110 L N 6.631 127.887 121.223 0.056 0.000 2.968 110 L HA 0.278 4.618 4.340 0.000 0.000 0.235 110 L C 1.847 178.764 176.870 0.078 0.000 1.323 110 L CA 0.748 55.623 54.840 0.058 0.000 1.159 110 L CB -0.320 41.766 42.059 0.044 0.000 1.523 110 L HN 0.985 nan 8.230 nan 0.000 0.468 111 G N -1.705 107.146 108.800 0.085 0.000 2.551 111 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 111 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 111 G C 1.533 176.511 174.900 0.130 0.000 1.137 111 G CA 0.742 45.901 45.100 0.099 0.000 0.798 111 G HN 0.417 nan 8.290 nan 0.000 0.536 112 S N 0.086 115.863 115.700 0.129 0.000 2.603 112 S HA 0.223 4.693 4.470 0.000 0.000 0.220 112 S C 0.793 175.498 174.600 0.175 0.000 0.967 112 S CA -0.508 57.783 58.200 0.152 0.000 0.920 112 S CB -0.315 62.964 63.200 0.131 0.000 0.773 112 S HN 0.034 nan 8.310 nan 0.000 0.529 113 I N 2.640 123.309 120.570 0.166 0.000 2.441 113 I HA 0.161 4.331 4.170 0.000 0.000 0.287 113 I C 1.531 177.757 176.117 0.181 0.000 1.049 113 I CA -0.062 61.353 61.300 0.191 0.000 1.381 113 I CB 0.761 38.858 38.000 0.162 0.000 1.409 113 I HN 0.271 nan 8.210 nan 0.000 0.523 114 M N 4.387 124.091 119.600 0.173 0.000 2.062 114 M HA -0.097 4.383 4.480 0.000 0.000 0.259 114 M C 0.325 176.663 176.300 0.062 0.000 1.076 114 M CA 1.660 56.967 55.300 0.012 0.000 1.122 114 M CB -0.346 31.962 32.600 -0.487 0.000 1.312 114 M HN 0.504 nan 8.290 nan 0.000 0.412 115 N N 1.458 120.226 118.700 0.114 0.000 2.898 115 N HA 0.330 5.070 4.740 0.000 0.000 0.245 115 N C -2.490 173.127 175.510 0.177 0.000 1.185 115 N CA -0.853 52.274 53.050 0.129 0.000 0.879 115 N CB 0.726 39.221 38.487 0.014 0.000 1.157 115 N HN 0.249 nan 8.380 nan 0.000 0.503 116 P HA 0.242 nan 4.420 nan 0.000 0.284 116 P C 0.570 177.952 177.300 0.137 0.000 1.253 116 P CA -0.375 62.806 63.100 0.135 0.000 0.800 116 P CB 2.009 33.774 31.700 0.107 0.000 0.961 117 K N 0.858 121.321 120.400 0.105 0.000 2.228 117 K HA -0.167 4.153 4.320 0.000 0.000 0.205 117 K C 2.027 178.688 176.600 0.102 0.000 1.045 117 K CA 1.815 58.158 56.287 0.093 0.000 0.931 117 K CB -0.377 32.157 32.500 0.057 0.000 0.727 117 K HN 0.492 nan 8.250 nan 0.000 0.458 118 S N 0.695 116.448 115.700 0.089 0.000 2.400 118 S HA -0.125 4.345 4.470 0.000 0.000 0.232 118 S C 1.473 176.147 174.600 0.122 0.000 1.025 118 S CA 0.983 59.230 58.200 0.077 0.000 0.993 118 S CB 0.063 63.289 63.200 0.043 0.000 0.808 118 S HN 0.153 nan 8.310 nan 0.000 0.478 119 L N 1.516 122.829 121.223 0.150 0.000 2.667 119 L HA 0.427 4.767 4.340 0.000 0.000 0.232 119 L C 0.285 177.346 176.870 0.317 0.000 1.138 119 L CA 0.417 55.352 54.840 0.158 0.000 0.921 119 L CB 0.197 42.265 42.059 0.015 0.000 1.180 119 L HN 0.198 nan 8.230 nan 0.000 0.487 120 T N -0.612 114.136 114.554 0.324 0.000 2.888 120 T HA 0.552 4.902 4.350 0.000 0.000 0.284 120 T C -0.248 174.546 174.700 0.158 0.000 1.017 120 T CA -0.498 61.774 62.100 0.287 0.000 1.022 120 T CB 2.261 71.245 68.868 0.194 0.000 1.013 120 T HN -0.147 nan 8.240 nan 0.000 0.465 121 R N 1.394 121.947 120.500 0.088 0.000 2.407 121 R HA 0.565 4.905 4.340 0.000 0.000 0.298 121 R C 0.416 176.695 176.300 -0.035 0.000 1.166 121 R CA -0.300 55.742 56.100 -0.097 0.000 1.006 121 R CB 0.316 30.462 30.300 -0.257 0.000 1.145 121 R HN 0.850 nan 8.270 nan 0.000 0.538 122 G N 3.132 111.907 108.800 -0.041 0.000 2.516 122 G HA2 0.306 4.266 3.960 0.000 0.000 0.276 122 G HA3 0.306 4.266 3.960 0.000 0.000 0.276 122 G C -1.888 172.986 174.900 -0.043 0.000 1.390 122 G CA -0.962 44.117 45.100 -0.036 0.000 1.050 122 G HN 0.451 nan 8.290 nan 0.000 0.519 123 P HA 0.312 nan 4.420 nan 0.000 0.281 123 P C -0.045 177.232 177.300 -0.038 0.000 1.274 123 P CA -0.068 63.010 63.100 -0.037 0.000 0.794 123 P CB 0.419 32.097 31.700 -0.037 0.000 1.201 124 R N -1.265 119.213 120.500 -0.037 0.000 2.747 124 R HA 0.287 4.627 4.340 0.000 0.000 0.272 124 R C -0.711 175.562 176.300 -0.045 0.000 1.032 124 R CA -0.524 55.552 56.100 -0.039 0.000 0.896 124 R CB 1.216 31.492 30.300 -0.040 0.000 1.253 124 R HN 0.306 nan 8.270 nan 0.000 0.461 125 D N -0.261 120.114 120.400 -0.042 0.000 2.335 125 D HA 0.204 4.844 4.640 0.000 0.000 0.284 125 D C -0.833 175.441 176.300 -0.043 0.000 1.096 125 D CA 0.644 54.616 54.000 -0.047 0.000 0.844 125 D CB 1.037 41.816 40.800 -0.035 0.000 1.454 125 D HN 0.200 nan 8.370 nan 0.000 0.526 126 K N 0.491 120.872 120.400 -0.032 0.000 2.512 126 K HA 0.528 4.848 4.320 0.000 0.000 0.263 126 K C -2.800 173.791 176.600 -0.015 0.000 0.966 126 K CA -1.691 54.584 56.287 -0.021 0.000 0.851 126 K CB 2.526 35.018 32.500 -0.013 0.000 1.395 126 K HN -0.266 nan 8.250 nan 0.000 0.440 127 P HA -0.012 nan 4.420 nan 0.000 0.270 127 P C -0.768 176.536 177.300 0.007 0.000 1.227 127 P CA -0.114 62.989 63.100 0.004 0.000 0.788 127 P CB 0.262 31.972 31.700 0.017 0.000 0.926 128 T N 3.524 118.086 114.554 0.013 0.000 2.751 128 T HA 0.104 4.454 4.350 0.000 0.000 0.279 128 T C -2.117 172.601 174.700 0.030 0.000 0.941 128 T CA -0.675 61.439 62.100 0.024 0.000 1.192 128 T CB -0.958 67.935 68.868 0.041 0.000 0.883 128 T HN 0.301 nan 8.240 nan 0.000 0.534 129 P HA -0.056 nan 4.420 nan 0.000 0.257 129 P C 0.756 178.067 177.300 0.019 0.000 1.144 129 P CA -0.050 63.059 63.100 0.016 0.000 0.761 129 P CB 0.279 31.985 31.700 0.011 0.000 0.734 130 L N 4.116 125.347 121.223 0.013 0.000 2.197 130 L HA -0.243 4.097 4.340 0.000 0.000 0.215 130 L C 2.371 179.236 176.870 -0.008 0.000 1.095 130 L CA 1.812 56.656 54.840 0.007 0.000 0.764 130 L CB -1.128 40.932 42.059 0.002 0.000 0.897 130 L HN 0.502 nan 8.230 nan 0.000 0.436 131 E N 0.323 120.516 120.200 -0.012 0.000 2.153 131 E HA -0.248 4.102 4.350 0.000 0.000 0.194 131 E C 1.494 178.065 176.600 -0.049 0.000 0.988 131 E CA 1.711 58.094 56.400 -0.028 0.000 0.811 131 E CB -0.336 29.350 29.700 -0.023 0.000 0.746 131 E HN 0.738 nan 8.360 nan 0.000 0.466 132 E N 1.020 121.203 120.200 -0.028 0.000 2.127 132 E HA 0.075 4.425 4.350 0.000 0.000 0.191 132 E C 2.531 179.121 176.600 -0.017 0.000 0.964 132 E CA 0.068 56.440 56.400 -0.047 0.000 0.832 132 E CB -0.359 29.375 29.700 0.055 0.000 0.790 132 E HN 0.136 nan 8.360 nan 0.000 0.465 133 L N 1.350 122.613 121.223 0.067 0.000 1.989 133 L HA -0.180 4.160 4.340 0.000 0.000 0.211 133 L C 2.549 179.446 176.870 0.045 0.000 1.071 133 L CA 0.983 55.894 54.840 0.118 0.000 0.749 133 L CB -0.168 41.949 42.059 0.097 0.000 0.890 133 L HN 0.164 nan 8.230 nan 0.000 0.431 134 L N 0.423 121.630 121.223 -0.027 0.000 2.013 134 L HA -0.122 4.218 4.340 0.000 0.000 0.212 134 L C -0.605 176.228 176.870 -0.062 0.000 1.073 134 L CA 2.036 56.837 54.840 -0.066 0.000 0.753 134 L CB -1.637 40.383 42.059 -0.065 0.000 0.890 134 L HN 0.129 nan 8.230 nan 0.000 0.432 135 P HA -0.166 nan 4.420 nan 0.000 0.214 135 P C 1.314 178.571 177.300 -0.071 0.000 1.163 135 P CA 1.791 64.803 63.100 -0.145 0.000 0.883 135 P CB -0.263 31.264 31.700 -0.289 0.000 0.788 136 H N -0.593 118.513 119.070 0.061 0.000 2.319 136 H HA -0.057 4.499 4.556 0.000 0.000 0.299 136 H C 1.977 177.404 175.328 0.165 0.000 1.092 136 H CA 1.676 57.788 56.048 0.107 0.000 1.302 136 H CB -1.172 28.649 29.762 0.098 0.000 1.373 136 H HN 0.050 nan 8.280 nan 0.000 0.497 137 A N 1.926 124.888 122.820 0.237 0.000 1.859 137 A HA -0.172 4.148 4.320 0.000 0.000 0.217 137 A C 2.514 180.198 177.584 0.167 0.000 1.198 137 A CA 1.830 53.967 52.037 0.167 0.000 0.629 137 A CB -0.670 18.197 19.000 -0.222 0.000 0.830 137 A HN 0.226 nan 8.150 nan 0.000 0.446 138 I N -0.208 120.407 120.570 0.076 0.000 2.151 138 I HA -0.259 3.911 4.170 0.000 0.000 0.243 138 I C 2.390 178.594 176.117 0.146 0.000 1.080 138 I CA 1.987 63.337 61.300 0.083 0.000 1.339 138 I CB -1.712 36.310 38.000 0.038 0.000 1.039 138 I HN 0.532 nan 8.210 nan 0.000 0.409 139 E N 0.590 120.891 120.200 0.168 0.000 2.033 139 E HA -0.286 4.064 4.350 0.000 0.000 0.199 139 E C 2.235 178.987 176.600 0.253 0.000 1.011 139 E CA 1.665 58.182 56.400 0.196 0.000 0.815 139 E CB -0.273 29.559 29.700 0.219 0.000 0.755 139 E HN 0.348 nan 8.360 nan 0.000 0.451 140 F N 1.275 121.336 119.950 0.185 0.000 2.095 140 F HA -0.188 4.339 4.527 0.000 0.000 0.298 140 F C 1.923 177.846 175.800 0.206 0.000 1.104 140 F CA 1.526 59.652 58.000 0.211 0.000 1.232 140 F CB -0.412 38.733 39.000 0.242 0.000 0.987 140 F HN 0.023 nan 8.300 nan 0.000 0.475 141 I N 0.520 121.030 120.570 -0.100 0.000 2.335 141 I HA -0.341 3.829 4.170 0.000 0.000 0.251 141 I C 2.086 178.184 176.117 -0.031 0.000 1.129 141 I CA 1.233 62.442 61.300 -0.153 0.000 1.402 141 I CB -0.666 37.391 38.000 0.094 0.000 1.069 141 I HN 0.239 nan 8.210 nan 0.000 0.424 142 N N 0.537 119.278 118.700 0.068 0.000 2.216 142 N HA -0.211 4.529 4.740 0.000 0.000 0.183 142 N C 1.846 177.350 175.510 -0.009 0.000 1.017 142 N CA 1.090 54.205 53.050 0.107 0.000 0.861 142 N CB -0.214 38.397 38.487 0.207 0.000 0.986 142 N HN 0.521 nan 8.380 nan 0.000 0.428 143 Q N 0.210 120.004 119.800 -0.011 0.000 2.020 143 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 143 Q C 2.117 177.965 176.000 -0.254 0.000 0.982 143 Q CA 1.295 57.094 55.803 -0.007 0.000 0.838 143 Q CB -0.346 28.499 28.738 0.179 0.000 0.899 143 Q HN 0.386 nan 8.270 nan 0.000 0.423 144 Y N 0.012 119.901 120.300 -0.685 0.000 2.081 144 Y HA -0.324 4.226 4.550 0.000 0.000 0.280 144 Y C 1.659 176.947 175.900 -1.019 0.000 1.163 144 Y CA 2.204 59.539 58.100 -1.275 0.000 1.135 144 Y CB -0.526 37.145 38.460 -1.315 0.000 0.970 144 Y HN 0.246 nan 8.280 nan 0.000 0.498 145 Y N -0.275 119.818 120.300 -0.345 0.000 2.439 145 Y HA 0.029 4.579 4.550 0.000 0.000 0.292 145 Y C 2.557 178.387 175.900 -0.117 0.000 1.130 145 Y CA 1.170 59.192 58.100 -0.131 0.000 1.254 145 Y CB -0.688 37.429 38.460 -0.572 0.000 1.000 145 Y HN 0.235 nan 8.280 nan 0.000 0.554 146 G N -1.444 107.281 108.800 -0.126 0.000 2.744 146 G HA2 -0.153 3.807 3.960 0.000 0.000 0.211 146 G HA3 -0.153 3.807 3.960 0.000 0.000 0.211 146 G C 1.623 176.425 174.900 -0.163 0.000 1.143 146 G CA 0.810 45.881 45.100 -0.048 0.000 0.788 146 G HN 0.428 nan 8.290 nan 0.000 0.534 147 S N -0.175 115.240 115.700 -0.475 0.000 2.561 147 S HA 0.264 4.734 4.470 0.000 0.000 0.225 147 S C 0.421 174.678 174.600 -0.572 0.000 0.977 147 S CA -0.470 57.417 58.200 -0.522 0.000 0.926 147 S CB -0.349 62.434 63.200 -0.694 0.000 0.769 147 S HN 0.050 nan 8.310 nan 0.000 0.533 148 F N 2.255 122.086 119.950 -0.198 0.000 2.375 148 F HA 0.471 4.998 4.527 0.000 0.000 0.333 148 F C 1.601 177.364 175.800 -0.061 0.000 1.104 148 F CA -1.150 56.769 58.000 -0.136 0.000 1.149 148 F CB 0.778 39.695 39.000 -0.139 0.000 1.190 148 F HN -0.086 nan 8.300 nan 0.000 0.533 149 K N 1.069 121.552 120.400 0.138 0.000 2.057 149 K HA -0.077 4.243 4.320 0.000 0.000 0.206 149 K C -0.347 176.302 176.600 0.082 0.000 1.050 149 K CA 1.450 57.785 56.287 0.079 0.000 0.935 149 K CB 0.089 32.624 32.500 0.058 0.000 0.715 149 K HN 0.715 nan 8.250 nan 0.000 0.439 150 E N 0.718 120.977 120.200 0.098 0.000 2.207 150 E HA 0.300 4.650 4.350 0.000 0.000 0.250 150 E C -1.163 175.477 176.600 0.067 0.000 0.890 150 E CA -0.585 55.852 56.400 0.063 0.000 0.749 150 E CB 1.672 31.391 29.700 0.031 0.000 1.193 150 E HN 0.308 nan 8.360 nan 0.000 0.423 151 A N 3.463 126.336 122.820 0.088 0.000 2.577 151 A HA -0.044 4.276 4.320 0.000 0.000 0.233 151 A C 0.211 177.806 177.584 0.018 0.000 1.076 151 A CA 0.471 52.569 52.037 0.102 0.000 0.767 151 A CB 0.236 19.306 19.000 0.117 0.000 1.017 151 A HN 0.623 nan 8.150 nan 0.000 0.511 152 K N 1.928 122.338 120.400 0.016 0.000 3.163 152 K HA 0.216 4.536 4.320 0.000 0.000 0.186 152 K C 0.374 176.971 176.600 -0.005 0.000 1.111 152 K CA -0.297 55.968 56.287 -0.036 0.000 0.918 152 K CB 0.138 32.565 32.500 -0.121 0.000 1.059 152 K HN 0.611 nan 8.250 nan 0.000 0.558 153 I N -0.772 119.809 120.570 0.018 0.000 2.143 153 I HA -0.374 3.796 4.170 0.000 0.000 0.245 153 I C 2.223 178.297 176.117 -0.072 0.000 1.068 153 I CA 1.589 62.885 61.300 -0.006 0.000 1.326 153 I CB -0.667 37.322 38.000 -0.020 0.000 1.028 153 I HN 0.340 nan 8.210 nan 0.000 0.412 154 E N 1.439 121.600 120.200 -0.064 0.000 2.033 154 E HA -0.269 4.081 4.350 0.000 0.000 0.199 154 E C 2.179 178.718 176.600 -0.100 0.000 1.011 154 E CA 2.153 58.510 56.400 -0.073 0.000 0.815 154 E CB -0.257 29.412 29.700 -0.051 0.000 0.755 154 E HN 0.723 nan 8.360 nan 0.000 0.451 155 E N -0.771 119.368 120.200 -0.103 0.000 2.077 155 E HA -0.206 4.144 4.350 0.000 0.000 0.193 155 E C 2.211 178.595 176.600 -0.360 0.000 0.989 155 E CA 1.058 57.380 56.400 -0.130 0.000 0.800 155 E CB -0.372 29.317 29.700 -0.018 0.000 0.746 155 E HN 0.513 nan 8.360 nan 0.000 0.452 156 H N 0.391 119.026 119.070 -0.724 0.000 2.267 156 H HA -0.181 4.375 4.556 0.000 0.000 0.297 156 H C 2.056 177.079 175.328 -0.509 0.000 1.080 156 H CA 1.155 56.557 56.048 -1.076 0.000 1.278 156 H CB 0.146 29.528 29.762 -0.633 0.000 1.365 156 H HN 0.014 nan 8.280 nan 0.000 0.489 157 L N 1.120 122.183 121.223 -0.267 0.000 1.971 157 L HA -0.206 4.134 4.340 0.000 0.000 0.215 157 L C 3.027 179.813 176.870 -0.141 0.000 1.072 157 L CA 1.921 56.620 54.840 -0.236 0.000 0.758 157 L CB -1.397 40.549 42.059 -0.188 0.000 0.889 157 L HN 0.461 nan 8.230 nan 0.000 0.433 158 A N -0.647 122.101 122.820 -0.121 0.000 1.903 158 A HA -0.322 3.998 4.320 0.000 0.000 0.219 158 A C 2.482 180.035 177.584 -0.050 0.000 1.191 158 A CA 2.325 54.318 52.037 -0.074 0.000 0.638 158 A CB -0.598 18.366 19.000 -0.060 0.000 0.823 158 A HN 0.352 nan 8.150 nan 0.000 0.451 159 R N -0.084 120.375 120.500 -0.068 0.000 2.081 159 R HA -0.008 4.332 4.340 0.000 0.000 0.235 159 R C 1.914 178.230 176.300 0.026 0.000 1.131 159 R CA 1.729 57.834 56.100 0.008 0.000 0.960 159 R CB -0.942 29.390 30.300 0.054 0.000 0.856 159 R HN 0.529 nan 8.270 nan 0.000 0.436 160 L N 0.222 121.452 121.223 0.010 0.000 2.046 160 L HA -0.168 4.172 4.340 0.000 0.000 0.208 160 L C 2.338 179.195 176.870 -0.022 0.000 1.077 160 L CA 1.877 56.722 54.840 0.009 0.000 0.747 160 L CB -0.490 41.561 42.059 -0.014 0.000 0.896 160 L HN 0.314 nan 8.230 nan 0.000 0.432 161 E N 0.129 120.309 120.200 -0.035 0.000 2.023 161 E HA -0.281 4.069 4.350 0.000 0.000 0.196 161 E C 2.304 178.894 176.600 -0.017 0.000 1.003 161 E CA 1.354 57.734 56.400 -0.032 0.000 0.809 161 E CB -0.308 29.371 29.700 -0.035 0.000 0.755 161 E HN 0.518 nan 8.360 nan 0.000 0.449 162 A N 1.002 123.820 122.820 -0.004 0.000 1.908 162 A HA -0.178 4.142 4.320 0.000 0.000 0.218 162 A C 2.529 180.126 177.584 0.022 0.000 1.181 162 A CA 1.542 53.588 52.037 0.015 0.000 0.627 162 A CB -0.714 18.305 19.000 0.031 0.000 0.818 162 A HN 0.135 nan 8.150 nan 0.000 0.445 163 V N -0.195 119.726 119.914 0.011 0.000 2.379 163 V HA -0.202 3.919 4.120 0.000 0.000 0.245 163 V C 2.715 178.757 176.094 -0.088 0.000 1.044 163 V CA 2.320 64.603 62.300 -0.029 0.000 1.036 163 V CB -1.435 30.335 31.823 -0.087 0.000 0.664 163 V HN 0.633 nan 8.190 nan 0.000 0.453 164 T N 0.015 114.525 114.554 -0.073 0.000 2.652 164 T HA -0.307 4.043 4.350 0.000 0.000 0.267 164 T C 1.914 176.591 174.700 -0.039 0.000 1.039 164 T CA 2.027 64.086 62.100 -0.068 0.000 1.153 164 T CB -0.270 68.568 68.868 -0.049 0.000 0.863 164 T HN 0.454 nan 8.240 nan 0.000 0.428 165 K N 1.049 121.437 120.400 -0.020 0.000 2.032 165 K HA -0.197 4.123 4.320 0.000 0.000 0.209 165 K C 2.406 179.012 176.600 0.011 0.000 1.048 165 K CA 1.791 58.076 56.287 -0.003 0.000 0.927 165 K CB -0.161 32.340 32.500 0.003 0.000 0.712 165 K HN 0.421 nan 8.250 nan 0.000 0.441 166 E N 0.220 120.435 120.200 0.024 0.000 2.204 166 E HA -0.177 4.173 4.350 0.000 0.000 0.195 166 E C 1.813 178.447 176.600 0.056 0.000 0.990 166 E CA 1.183 57.617 56.400 0.056 0.000 0.821 166 E CB 0.012 29.776 29.700 0.106 0.000 0.750 166 E HN 0.428 nan 8.360 nan 0.000 0.477 167 I N 0.150 120.731 120.570 0.019 0.000 2.400 167 I HA -0.141 4.029 4.170 0.000 0.000 0.248 167 I C 2.179 178.305 176.117 0.014 0.000 1.109 167 I CA 0.680 61.990 61.300 0.016 0.000 1.425 167 I CB -0.242 37.733 38.000 -0.043 0.000 1.094 167 I HN 0.056 nan 8.210 nan 0.000 0.425 168 E N 0.847 121.048 120.200 0.002 0.000 2.077 168 E HA -0.219 4.131 4.350 0.000 0.000 0.193 168 E C 2.225 178.833 176.600 0.013 0.000 0.989 168 E CA 2.204 58.605 56.400 0.003 0.000 0.800 168 E CB -0.087 29.611 29.700 -0.003 0.000 0.746 168 E HN 0.584 nan 8.360 nan 0.000 0.452 169 T N -2.061 112.504 114.554 0.019 0.000 2.942 169 T HA -0.075 4.275 4.350 0.000 0.000 0.265 169 T C 2.025 176.744 174.700 0.032 0.000 1.062 169 T CA 1.500 63.614 62.100 0.024 0.000 1.139 169 T CB -0.124 68.759 68.868 0.025 0.000 0.883 169 T HN 0.217 nan 8.240 nan 0.000 0.468 170 T N -3.311 111.269 114.554 0.042 0.000 2.975 170 T HA 0.507 4.857 4.350 0.000 0.000 0.261 170 T C 1.785 176.517 174.700 0.054 0.000 0.984 170 T CA 0.674 62.804 62.100 0.050 0.000 0.911 170 T CB -0.011 68.895 68.868 0.064 0.000 1.127 170 T HN 0.969 nan 8.240 nan 0.000 0.514 171 G N 0.343 109.174 108.800 0.051 0.000 2.148 171 G HA2 -0.154 3.806 3.960 0.000 0.000 0.254 171 G HA3 -0.154 3.806 3.960 0.000 0.000 0.254 171 G C 0.183 175.128 174.900 0.076 0.000 0.981 171 G CA 0.758 45.888 45.100 0.050 0.000 0.670 171 G HN 1.107 nan 8.290 nan 0.000 0.528 172 T N -1.885 112.737 114.554 0.114 0.000 2.676 172 T HA 0.654 5.004 4.350 0.000 0.000 0.299 172 T C -1.559 173.337 174.700 0.325 0.000 1.657 172 T CA 0.628 62.846 62.100 0.197 0.000 0.985 172 T CB 0.878 69.818 68.868 0.119 0.000 1.926 172 T HN 1.801 nan 8.240 nan 0.000 0.456 173 Y N -0.556 119.760 120.300 0.026 0.000 2.818 173 Y HA 0.796 5.346 4.550 0.000 0.000 0.341 173 Y C -2.026 173.904 175.900 0.050 0.000 1.283 173 Y CA -1.198 56.928 58.100 0.043 0.000 1.075 173 Y CB 0.487 38.983 38.460 0.060 0.000 1.370 173 Y HN 0.485 nan 8.280 nan 0.000 0.448 174 Q N 1.847 121.637 119.800 -0.017 0.000 2.337 174 Q HA 0.573 4.913 4.340 0.000 0.000 0.266 174 Q C -1.063 174.896 176.000 -0.069 0.000 1.023 174 Q CA -0.763 54.984 55.803 -0.093 0.000 0.829 174 Q CB 2.907 31.654 28.738 0.014 0.000 1.306 174 Q HN 0.825 nan 8.270 nan 0.000 0.449 175 L N 1.419 122.590 121.223 -0.086 0.000 2.375 175 L HA 0.397 4.737 4.340 0.000 0.000 0.271 175 L C 1.012 177.895 176.870 0.021 0.000 1.107 175 L CA -0.690 54.158 54.840 0.012 0.000 0.806 175 L CB 0.990 43.080 42.059 0.051 0.000 1.146 175 L HN 0.664 nan 8.230 nan 0.000 0.447 176 T N -0.744 113.811 114.554 0.001 0.000 2.898 176 T HA 0.075 4.425 4.350 0.000 0.000 0.301 176 T C 1.024 175.729 174.700 0.008 0.000 1.049 176 T CA -0.632 61.465 62.100 -0.004 0.000 1.095 176 T CB 0.962 69.808 68.868 -0.036 0.000 0.976 176 T HN 0.510 nan 8.240 nan 0.000 0.539 177 L N 1.182 122.416 121.223 0.017 0.000 2.081 177 L HA -0.111 4.229 4.340 0.000 0.000 0.212 177 L C 2.118 179.018 176.870 0.049 0.000 1.080 177 L CA 2.001 56.850 54.840 0.016 0.000 0.754 177 L CB -0.921 41.143 42.059 0.008 0.000 0.893 177 L HN 0.771 nan 8.230 nan 0.000 0.433 178 D N -0.571 119.880 120.400 0.085 0.000 2.144 178 D HA -0.193 4.447 4.640 0.000 0.000 0.199 178 D C 1.921 178.405 176.300 0.308 0.000 0.984 178 D CA 1.597 55.709 54.000 0.186 0.000 0.834 178 D CB 0.033 40.982 40.800 0.248 0.000 0.955 178 D HN 0.609 nan 8.370 nan 0.000 0.465 179 E N 0.767 121.048 120.200 0.136 0.000 2.072 179 E HA -0.085 4.265 4.350 0.000 0.000 0.191 179 E C 2.361 179.189 176.600 0.380 0.000 0.985 179 E CA 0.132 56.642 56.400 0.184 0.000 0.801 179 E CB -0.005 29.628 29.700 -0.112 0.000 0.750 179 E HN 0.217 nan 8.360 nan 0.000 0.452 180 L N 1.093 122.412 121.223 0.161 0.000 2.017 180 L HA -0.201 4.139 4.340 0.000 0.000 0.208 180 L C 2.375 179.269 176.870 0.041 0.000 1.073 180 L CA 1.272 56.130 54.840 0.029 0.000 0.745 180 L CB -0.187 41.827 42.059 -0.074 0.000 0.894 180 L HN 0.192 nan 8.230 nan 0.000 0.432 181 I N -0.817 119.800 120.570 0.078 0.000 2.163 181 I HA -0.387 3.783 4.170 0.000 0.000 0.243 181 I C 2.444 178.645 176.117 0.140 0.000 1.085 181 I CA 1.639 62.976 61.300 0.061 0.000 1.347 181 I CB -0.390 37.647 38.000 0.061 0.000 1.044 181 I HN 0.251 nan 8.210 nan 0.000 0.408 182 F N 1.692 121.717 119.950 0.125 0.000 2.134 182 F HA -0.225 4.302 4.527 0.000 0.000 0.299 182 F C 2.449 178.356 175.800 0.178 0.000 1.097 182 F CA 1.460 59.558 58.000 0.165 0.000 1.264 182 F CB -0.274 38.881 39.000 0.259 0.000 1.001 182 F HN -0.001 nan 8.300 nan 0.000 0.479 183 A N -0.045 122.932 122.820 0.263 0.000 1.902 183 A HA -0.194 4.126 4.320 0.000 0.000 0.217 183 A C 2.276 179.770 177.584 -0.150 0.000 1.181 183 A CA 2.455 54.502 52.037 0.016 0.000 0.623 183 A CB -1.636 17.306 19.000 -0.097 0.000 0.818 183 A HN 0.534 nan 8.150 nan 0.000 0.443 184 T N -1.543 112.950 114.554 -0.101 0.000 2.746 184 T HA -0.154 4.196 4.350 0.000 0.000 0.267 184 T C 1.816 176.541 174.700 0.042 0.000 1.039 184 T CA 1.647 63.711 62.100 -0.060 0.000 1.142 184 T CB -0.344 68.501 68.868 -0.038 0.000 0.866 184 T HN 0.530 nan 8.240 nan 0.000 0.444 185 K N 0.117 120.548 120.400 0.053 0.000 2.097 185 K HA 0.108 4.429 4.320 0.000 0.000 0.205 185 K C 2.525 179.203 176.600 0.131 0.000 1.050 185 K CA 1.066 57.474 56.287 0.202 0.000 0.938 185 K CB -0.217 32.376 32.500 0.154 0.000 0.718 185 K HN 0.239 nan 8.250 nan 0.000 0.442 186 M N 0.563 120.069 119.600 -0.157 0.000 2.132 186 M HA -0.077 4.403 4.480 0.000 0.000 0.263 186 M C 2.417 178.578 176.300 -0.232 0.000 1.065 186 M CA 1.359 56.476 55.300 -0.305 0.000 1.122 186 M CB -0.971 31.343 32.600 -0.477 0.000 1.365 186 M HN 0.155 nan 8.290 nan 0.000 0.411 187 A N -0.630 122.026 122.820 -0.273 0.000 1.902 187 A HA -0.223 4.097 4.320 0.000 0.000 0.217 187 A C 1.994 179.439 177.584 -0.232 0.000 1.181 187 A CA 1.599 53.342 52.037 -0.491 0.000 0.623 187 A CB -1.214 17.106 19.000 -1.133 0.000 0.818 187 A HN 0.677 nan 8.150 nan 0.000 0.443 188 W N 0.962 122.188 121.300 -0.124 0.000 2.355 188 W HA -0.159 4.501 4.660 0.000 0.000 0.309 188 W C 2.306 178.745 176.519 -0.134 0.000 1.206 188 W CA 1.636 58.960 57.345 -0.035 0.000 1.284 188 W CB -0.817 28.609 29.460 -0.057 0.000 1.145 188 W HN 0.364 nan 8.180 nan 0.000 0.502 189 R N 0.327 120.764 120.500 -0.105 0.000 2.139 189 R HA -0.193 4.147 4.340 0.000 0.000 0.243 189 R C 1.113 177.255 176.300 -0.263 0.000 1.145 189 R CA 1.806 57.667 56.100 -0.397 0.000 0.976 189 R CB -0.520 29.367 30.300 -0.690 0.000 0.866 189 R HN 0.102 nan 8.270 nan 0.000 0.449 190 N N -0.072 118.520 118.700 -0.180 0.000 2.276 190 N HA 0.079 4.819 4.740 0.000 0.000 0.212 190 N C -0.909 174.530 175.510 -0.118 0.000 1.127 190 N CA 0.352 53.334 53.050 -0.114 0.000 0.834 190 N CB 1.226 39.704 38.487 -0.014 0.000 1.014 190 N HN 0.144 nan 8.380 nan 0.000 0.491 191 A N 2.165 124.903 122.820 -0.137 0.000 2.343 191 A HA 0.288 4.608 4.320 0.000 0.000 0.305 191 A C -1.058 176.463 177.584 -0.106 0.000 1.308 191 A CA -1.134 50.781 52.037 -0.204 0.000 0.949 191 A CB 0.645 19.584 19.000 -0.102 0.000 1.148 191 A HN -0.013 nan 8.150 nan 0.000 0.545 192 P HA -0.134 nan 4.420 nan 0.000 0.223 192 P C 0.819 178.070 177.300 -0.083 0.000 1.151 192 P CA 0.991 64.045 63.100 -0.077 0.000 0.787 192 P CB 0.226 31.871 31.700 -0.092 0.000 0.788 193 R N -1.278 119.130 120.500 -0.152 0.000 2.317 193 R HA 0.143 4.483 4.340 0.000 0.000 0.208 193 R C 0.591 176.902 176.300 0.018 0.000 0.914 193 R CA -0.169 55.874 56.100 -0.096 0.000 1.060 193 R CB -0.353 29.680 30.300 -0.446 0.000 1.015 193 R HN 0.167 nan 8.270 nan 0.000 0.498 194 C N 0.595 119.885 119.300 -0.016 0.000 2.285 194 C HA 0.339 4.799 4.460 0.000 0.000 0.335 194 C C 1.667 176.656 174.990 -0.001 0.000 1.267 194 C CA -0.814 58.227 59.018 0.037 0.000 1.762 194 C CB -0.436 27.379 27.740 0.124 0.000 2.365 194 C HN 0.561 nan 8.230 nan 0.000 0.527 195 I N 4.195 124.735 120.570 -0.050 0.000 3.419 195 I HA 0.187 4.357 4.170 0.000 0.000 0.286 195 I C 1.848 178.044 176.117 0.132 0.000 1.268 195 I CA 0.948 62.181 61.300 -0.111 0.000 1.414 195 I CB 0.114 38.017 38.000 -0.163 0.000 1.074 195 I HN 0.935 nan 8.210 nan 0.000 0.457 196 G N 0.064 108.933 108.800 0.116 0.000 3.371 196 G HA2 0.030 3.990 3.960 0.000 0.000 0.248 196 G HA3 0.030 3.990 3.960 0.000 0.000 0.248 196 G C 1.253 176.179 174.900 0.044 0.000 1.161 196 G CA -0.358 44.805 45.100 0.106 0.000 0.796 196 G HN 0.250 nan 8.290 nan 0.000 0.539 197 R N -0.189 120.261 120.500 -0.084 0.000 2.341 197 R HA 0.087 4.427 4.340 0.000 0.000 0.213 197 R C 1.929 177.706 176.300 -0.872 0.000 1.082 197 R CA 0.237 55.970 56.100 -0.613 0.000 1.017 197 R CB -0.158 29.790 30.300 -0.586 0.000 0.860 197 R HN 0.455 nan 8.270 nan 0.000 0.473 198 I N 0.742 121.012 120.570 -0.501 0.000 3.001 198 I HA -0.200 3.970 4.170 0.000 0.000 0.268 198 I C 1.275 177.285 176.117 -0.177 0.000 1.267 198 I CA 1.039 62.203 61.300 -0.226 0.000 1.472 198 I CB 0.182 38.193 38.000 0.019 0.000 1.089 198 I HN 0.171 nan 8.210 nan 0.000 0.468 199 Q N 0.452 120.071 119.800 -0.301 0.000 2.360 199 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 199 Q C 1.637 177.159 176.000 -0.796 0.000 0.915 199 Q CA 0.331 55.956 55.803 -0.296 0.000 0.943 199 Q CB -0.172 28.566 28.738 0.000 0.000 1.064 199 Q HN 0.768 nan 8.270 nan 0.000 0.511 200 W N 1.473 121.923 121.300 -1.416 0.000 2.290 200 W HA -0.279 4.381 4.660 0.000 0.000 0.311 200 W C 1.349 177.504 176.519 -0.606 0.000 1.238 200 W CA 1.745 58.082 57.345 -1.680 0.000 1.255 200 W CB -1.474 27.273 29.460 -1.188 0.000 1.145 200 W HN 0.168 nan 8.180 nan 0.000 0.506 201 S N -0.006 114.696 115.700 -1.665 0.000 2.481 201 S HA -0.109 4.361 4.470 0.000 0.000 0.231 201 S C 0.839 175.122 174.600 -0.528 0.000 0.996 201 S CA 0.696 58.103 58.200 -1.322 0.000 0.942 201 S CB -0.909 61.420 63.200 -1.452 0.000 0.768 201 S HN 0.470 nan 8.310 nan 0.000 0.520 202 N N 0.600 119.106 118.700 -0.323 0.000 2.801 202 N HA 0.455 5.195 4.740 0.000 0.000 0.235 202 N C -1.416 174.165 175.510 0.118 0.000 1.069 202 N CA -0.471 52.536 53.050 -0.072 0.000 0.946 202 N CB 0.361 38.838 38.487 -0.016 0.000 1.212 202 N HN 0.236 nan 8.380 nan 0.000 0.509 203 L N 2.389 123.644 121.223 0.053 0.000 2.455 203 L HA 0.383 4.723 4.340 0.000 0.000 0.264 203 L C -1.199 175.608 176.870 -0.106 0.000 0.968 203 L CA -0.648 54.209 54.840 0.029 0.000 0.827 203 L CB 2.034 44.152 42.059 0.098 0.000 1.317 203 L HN 0.406 nan 8.230 nan 0.000 0.407 204 Q N 2.893 122.569 119.800 -0.206 0.000 2.278 204 Q HA 0.645 4.985 4.340 0.000 0.000 0.257 204 Q C -1.799 173.828 176.000 -0.621 0.000 0.928 204 Q CA -0.323 55.213 55.803 -0.445 0.000 0.932 204 Q CB 1.648 30.006 28.738 -0.633 0.000 1.221 204 Q HN 0.517 nan 8.270 nan 0.000 0.434 205 V N 5.730 125.289 119.914 -0.592 0.000 2.357 205 V HA 0.433 4.553 4.120 0.000 0.000 0.284 205 V C -0.860 174.877 176.094 -0.594 0.000 1.018 205 V CA -0.588 61.405 62.300 -0.512 0.000 0.841 205 V CB 0.564 32.221 31.823 -0.276 0.000 0.991 205 V HN 0.672 nan 8.190 nan 0.000 0.437 206 F N 2.722 122.483 119.950 -0.315 0.000 2.391 206 F HA 0.370 4.897 4.527 0.000 0.000 0.359 206 F C 0.558 176.171 175.800 -0.311 0.000 1.122 206 F CA -1.172 56.648 58.000 -0.301 0.000 1.120 206 F CB 1.010 39.813 39.000 -0.327 0.000 1.142 206 F HN 0.433 nan 8.300 nan 0.000 0.483 207 D N 3.405 123.768 120.400 -0.063 0.000 2.393 207 D HA 0.357 4.997 4.640 0.000 0.000 0.232 207 D C 0.181 176.359 176.300 -0.202 0.000 1.192 207 D CA 0.143 54.059 54.000 -0.139 0.000 0.882 207 D CB 0.972 41.724 40.800 -0.080 0.000 1.038 207 D HN 0.608 nan 8.370 nan 0.000 0.499 208 A N 4.546 127.132 122.820 -0.390 0.000 2.637 208 A HA 0.157 4.477 4.320 0.000 0.000 0.293 208 A C 1.743 179.160 177.584 -0.277 0.000 1.216 208 A CA -0.385 51.324 52.037 -0.546 0.000 0.956 208 A CB 0.046 18.322 19.000 -1.206 0.000 1.174 208 A HN 0.518 nan 8.150 nan 0.000 0.525 209 R N 0.624 121.022 120.500 -0.169 0.000 2.200 209 R HA -0.178 4.162 4.340 0.000 0.000 0.234 209 R C 1.347 177.604 176.300 -0.072 0.000 1.127 209 R CA 1.698 57.746 56.100 -0.086 0.000 0.989 209 R CB -0.155 30.142 30.300 -0.005 0.000 0.869 209 R HN 0.825 nan 8.270 nan 0.000 0.459 210 N N -0.683 117.997 118.700 -0.034 0.000 2.412 210 N HA -0.059 4.681 4.740 0.000 0.000 0.184 210 N C 0.597 176.151 175.510 0.073 0.000 1.101 210 N CA -0.087 52.978 53.050 0.026 0.000 0.881 210 N CB -0.201 38.315 38.487 0.048 0.000 0.969 210 N HN 0.034 nan 8.380 nan 0.000 0.459 211 C N 0.544 119.887 119.300 0.071 0.000 2.745 211 C HA 0.220 4.680 4.460 0.000 0.000 0.402 211 C C 1.596 176.739 174.990 0.255 0.000 1.261 211 C CA 0.832 59.972 59.018 0.203 0.000 1.908 211 C CB -0.109 27.795 27.740 0.273 0.000 2.707 211 C HN 0.721 nan 8.230 nan 0.000 0.672 212 S N 0.342 116.240 115.700 0.331 0.000 2.551 212 S HA 0.187 4.657 4.470 0.000 0.000 0.276 212 S C 0.080 174.804 174.600 0.206 0.000 1.051 212 S CA 0.347 58.745 58.200 0.330 0.000 1.377 212 S CB -0.102 63.211 63.200 0.188 0.000 1.208 212 S HN 1.026 nan 8.310 nan 0.000 0.656 213 T N 0.596 115.259 114.554 0.181 0.000 2.906 213 T HA 0.739 5.090 4.350 0.000 0.000 0.295 213 T C 1.207 175.947 174.700 0.067 0.000 1.061 213 T CA 0.164 62.315 62.100 0.086 0.000 1.000 213 T CB 1.483 70.397 68.868 0.077 0.000 1.103 213 T HN 0.305 nan 8.240 nan 0.000 0.486 214 A N 2.299 125.131 122.820 0.020 0.000 1.873 214 A HA -0.117 4.203 4.320 0.000 0.000 0.218 214 A C 2.089 179.587 177.584 -0.143 0.000 1.193 214 A CA 2.516 54.544 52.037 -0.015 0.000 0.629 214 A CB -1.242 17.848 19.000 0.151 0.000 0.826 214 A HN 0.849 nan 8.150 nan 0.000 0.447 215 Q N 0.028 119.813 119.800 -0.026 0.000 2.152 215 Q HA -0.232 4.108 4.340 0.000 0.000 0.206 215 Q C 1.789 177.777 176.000 -0.020 0.000 0.985 215 Q CA 2.460 58.224 55.803 -0.064 0.000 0.863 215 Q CB -0.406 28.404 28.738 0.121 0.000 0.904 215 Q HN 0.776 nan 8.270 nan 0.000 0.422 216 E N -0.865 119.360 120.200 0.041 0.000 2.150 216 E HA -0.141 4.209 4.350 0.000 0.000 0.193 216 E C 2.010 178.729 176.600 0.199 0.000 0.985 216 E CA 1.166 57.622 56.400 0.093 0.000 0.814 216 E CB -0.094 29.711 29.700 0.176 0.000 0.752 216 E HN 0.478 nan 8.360 nan 0.000 0.466 217 M N -0.051 119.622 119.600 0.121 0.000 2.067 217 M HA -0.162 4.318 4.480 0.000 0.000 0.260 217 M C 2.247 178.627 176.300 0.134 0.000 1.069 217 M CA 1.309 56.651 55.300 0.071 0.000 1.117 217 M CB -0.439 31.981 32.600 -0.300 0.000 1.334 217 M HN 0.141 nan 8.290 nan 0.000 0.407 218 F N 1.627 121.405 119.950 -0.287 0.000 2.091 218 F HA -0.300 4.227 4.527 0.000 0.000 0.299 218 F C 2.363 178.072 175.800 -0.152 0.000 1.103 218 F CA 1.999 59.784 58.000 -0.359 0.000 1.228 218 F CB -0.602 37.893 39.000 -0.841 0.000 0.984 218 F HN 0.184 nan 8.300 nan 0.000 0.477 219 Q N -1.178 118.486 119.800 -0.227 0.000 2.124 219 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 219 Q C 2.248 178.083 176.000 -0.274 0.000 0.977 219 Q CA 1.620 57.229 55.803 -0.324 0.000 0.850 219 Q CB -0.395 28.206 28.738 -0.228 0.000 0.901 219 Q HN 0.524 nan 8.270 nan 0.000 0.429 220 H N 0.125 119.155 119.070 -0.068 0.000 2.357 220 H HA -0.073 4.483 4.556 0.000 0.000 0.301 220 H C 2.131 177.417 175.328 -0.070 0.000 1.082 220 H CA 1.261 57.279 56.048 -0.049 0.000 1.342 220 H CB -0.048 29.804 29.762 0.149 0.000 1.389 220 H HN 0.258 nan 8.280 nan 0.000 0.511 221 I N -0.068 120.581 120.570 0.131 0.000 2.179 221 I HA -0.308 3.862 4.170 0.000 0.000 0.242 221 I C 2.732 178.798 176.117 -0.085 0.000 1.088 221 I CA 0.884 62.213 61.300 0.048 0.000 1.357 221 I CB -0.308 37.719 38.000 0.045 0.000 1.051 221 I HN 0.219 nan 8.210 nan 0.000 0.409 222 C N 0.295 119.448 119.300 -0.246 0.000 2.413 222 C HA -0.179 4.281 4.460 0.000 0.000 0.276 222 C C 2.985 177.883 174.990 -0.153 0.000 1.236 222 C CA 0.813 59.672 59.018 -0.265 0.000 1.735 222 C CB -1.189 26.283 27.740 -0.447 0.000 2.031 222 C HN 0.454 nan 8.230 nan 0.000 0.474 223 R N -0.017 120.370 120.500 -0.188 0.000 2.091 223 R HA -0.184 4.156 4.340 0.000 0.000 0.238 223 R C 2.147 178.358 176.300 -0.149 0.000 1.136 223 R CA 2.082 58.053 56.100 -0.214 0.000 0.959 223 R CB -0.776 29.304 30.300 -0.367 0.000 0.856 223 R HN 0.787 nan 8.270 nan 0.000 0.437 224 H N -0.129 118.789 119.070 -0.253 0.000 2.293 224 H HA -0.081 4.475 4.556 0.000 0.000 0.300 224 H C 2.280 177.668 175.328 0.101 0.000 1.082 224 H CA 2.028 58.052 56.048 -0.040 0.000 1.308 224 H CB -0.065 29.698 29.762 0.002 0.000 1.375 224 H HN 0.161 nan 8.280 nan 0.000 0.495 225 I N 0.225 120.896 120.570 0.168 0.000 2.151 225 I HA -0.278 3.892 4.170 0.000 0.000 0.243 225 I C 2.527 178.714 176.117 0.117 0.000 1.080 225 I CA 0.919 62.271 61.300 0.086 0.000 1.339 225 I CB -0.247 37.739 38.000 -0.023 0.000 1.039 225 I HN 0.335 nan 8.210 nan 0.000 0.409 226 L N 0.334 121.605 121.223 0.079 0.000 2.017 226 L HA -0.276 4.064 4.340 0.000 0.000 0.208 226 L C 2.518 179.454 176.870 0.111 0.000 1.073 226 L CA 1.936 56.815 54.840 0.065 0.000 0.745 226 L CB -1.023 41.051 42.059 0.025 0.000 0.894 226 L HN 0.263 nan 8.230 nan 0.000 0.432 227 Y N 0.208 120.559 120.300 0.086 0.000 2.097 227 Y HA -0.253 4.297 4.550 0.000 0.000 0.282 227 Y C 2.400 178.396 175.900 0.160 0.000 1.152 227 Y CA 2.279 60.467 58.100 0.146 0.000 1.136 227 Y CB -0.694 37.935 38.460 0.282 0.000 0.975 227 Y HN 0.245 nan 8.280 nan 0.000 0.498 228 A N -0.516 122.496 122.820 0.320 0.000 1.908 228 A HA -0.213 4.107 4.320 0.000 0.000 0.218 228 A C 2.210 179.842 177.584 0.080 0.000 1.181 228 A CA 2.413 54.587 52.037 0.228 0.000 0.627 228 A CB -1.418 17.823 19.000 0.401 0.000 0.818 228 A HN 0.556 nan 8.150 nan 0.000 0.445 229 T N -0.122 114.482 114.554 0.083 0.000 2.788 229 T HA -0.130 4.220 4.350 0.000 0.000 0.268 229 T C 1.169 175.872 174.700 0.005 0.000 1.044 229 T CA 1.228 63.365 62.100 0.062 0.000 1.139 229 T CB -0.459 68.445 68.868 0.059 0.000 0.867 229 T HN 0.661 nan 8.240 nan 0.000 0.454 230 N N 2.053 120.719 118.700 -0.057 0.000 2.701 230 N HA -0.292 4.448 4.740 0.000 0.000 0.252 230 N C 0.107 175.589 175.510 -0.047 0.000 1.002 230 N CA 0.963 53.956 53.050 -0.095 0.000 0.758 230 N CB -2.129 36.254 38.487 -0.172 0.000 0.937 230 N HN 0.688 nan 8.380 nan 0.000 0.538 231 N N -1.946 116.741 118.700 -0.022 0.000 2.754 231 N HA -0.235 4.505 4.740 0.000 0.000 0.248 231 N C 0.888 176.389 175.510 -0.015 0.000 1.093 231 N CA 1.192 54.233 53.050 -0.016 0.000 0.699 231 N CB -1.273 37.201 38.487 -0.022 0.000 1.016 231 N HN 1.053 nan 8.380 nan 0.000 0.552 232 G N 0.380 109.181 108.800 0.002 0.000 2.308 232 G HA2 -0.332 3.628 3.960 0.000 0.000 0.221 232 G HA3 -0.332 3.628 3.960 0.000 0.000 0.221 232 G C -0.042 174.866 174.900 0.013 0.000 1.032 232 G CA 0.339 45.444 45.100 0.009 0.000 0.623 232 G HN 0.618 nan 8.290 nan 0.000 0.506 233 N N 1.870 120.560 118.700 -0.016 0.000 3.124 233 N HA 0.341 5.081 4.740 0.000 0.000 0.284 233 N C 0.662 176.163 175.510 -0.015 0.000 1.209 233 N CA -0.770 52.256 53.050 -0.039 0.000 1.149 233 N CB -0.195 38.259 38.487 -0.056 0.000 1.434 233 N HN 0.229 nan 8.380 nan 0.000 0.529 234 I N 2.058 122.656 120.570 0.047 0.000 2.919 234 I HA -0.106 4.064 4.170 0.000 0.000 0.303 234 I C 0.805 177.053 176.117 0.219 0.000 1.221 234 I CA 1.001 62.396 61.300 0.158 0.000 1.444 234 I CB -0.146 38.041 38.000 0.312 0.000 1.331 234 I HN 0.427 nan 8.210 nan 0.000 0.572 235 R N 3.723 124.336 120.500 0.188 0.000 2.621 235 R HA 0.429 4.769 4.340 0.000 0.000 0.292 235 R C -0.550 175.895 176.300 0.242 0.000 0.969 235 R CA -0.697 55.526 56.100 0.206 0.000 0.887 235 R CB 2.020 32.300 30.300 -0.033 0.000 1.180 235 R HN 0.560 nan 8.270 nan 0.000 0.450 236 S N 1.289 117.106 115.700 0.195 0.000 2.548 236 S HA 0.623 5.093 4.470 0.000 0.000 0.277 236 S C -0.399 174.210 174.600 0.015 0.000 1.315 236 S CA -0.385 57.820 58.200 0.009 0.000 1.050 236 S CB 1.454 64.554 63.200 -0.167 0.000 0.918 236 S HN 0.710 nan 8.310 nan 0.000 0.497 237 A N 2.544 125.334 122.820 -0.051 0.000 2.601 237 A HA 0.820 5.140 4.320 0.000 0.000 0.291 237 A C -1.447 176.012 177.584 -0.209 0.000 1.075 237 A CA -0.660 51.244 52.037 -0.221 0.000 0.671 237 A CB 1.106 19.931 19.000 -0.291 0.000 1.277 237 A HN 0.804 nan 8.150 nan 0.000 0.417 238 I N 0.227 120.608 120.570 -0.315 0.000 2.722 238 I HA 0.629 4.799 4.170 0.000 0.000 0.295 238 I C -1.232 174.794 176.117 -0.151 0.000 1.161 238 I CA -0.198 61.051 61.300 -0.085 0.000 1.032 238 I CB 2.443 40.415 38.000 -0.046 0.000 1.244 238 I HN 0.590 nan 8.210 nan 0.000 0.421 239 T N 6.309 120.859 114.554 -0.007 0.000 2.788 239 T HA 0.371 4.721 4.350 0.000 0.000 0.296 239 T C -0.562 173.918 174.700 -0.367 0.000 1.009 239 T CA -0.309 61.690 62.100 -0.169 0.000 0.949 239 T CB 1.174 69.959 68.868 -0.138 0.000 0.946 239 T HN 0.267 nan 8.240 nan 0.000 0.453 240 V N 5.532 125.209 119.914 -0.394 0.000 2.368 240 V HA 0.379 4.499 4.120 0.000 0.000 0.266 240 V C 0.008 175.846 176.094 -0.427 0.000 1.045 240 V CA -0.521 61.564 62.300 -0.359 0.000 0.899 240 V CB -0.494 31.093 31.823 -0.394 0.000 1.006 240 V HN 0.744 nan 8.190 nan 0.000 0.470 241 F N 5.357 125.254 119.950 -0.089 0.000 2.291 241 F HA 0.418 4.945 4.527 0.000 0.000 0.305 241 F C -1.714 173.974 175.800 -0.186 0.000 1.171 241 F CA -2.345 55.513 58.000 -0.235 0.000 1.090 241 F CB 0.498 39.352 39.000 -0.243 0.000 1.436 241 F HN 0.302 nan 8.300 nan 0.000 0.509 242 P HA -0.035 nan 4.420 nan 0.000 0.261 242 P C -1.297 176.002 177.300 -0.001 0.000 1.183 242 P CA -0.009 62.962 63.100 -0.215 0.000 0.761 242 P CB 0.139 31.520 31.700 -0.531 0.000 0.785 243 Q N 3.483 123.232 119.800 -0.085 0.000 2.361 243 Q HA 0.053 4.393 4.340 0.000 0.000 0.276 243 Q C 0.178 176.052 176.000 -0.210 0.000 1.022 243 Q CA -0.485 55.010 55.803 -0.514 0.000 0.898 243 Q CB 0.728 28.828 28.738 -1.063 0.000 1.246 243 Q HN 0.346 nan 8.270 nan 0.000 0.410 244 R N 1.730 122.119 120.500 -0.184 0.000 2.538 244 R HA -0.048 4.292 4.340 0.000 0.000 0.282 244 R C 0.151 176.418 176.300 -0.055 0.000 1.009 244 R CA 0.849 56.922 56.100 -0.046 0.000 1.063 244 R CB 0.498 30.769 30.300 -0.049 0.000 0.945 244 R HN 0.975 nan 8.270 nan 0.000 0.414 245 S N 2.594 118.308 115.700 0.023 0.000 2.612 245 S HA -0.061 4.409 4.470 0.000 0.000 0.193 245 S C 1.068 175.681 174.600 0.022 0.000 0.898 245 S CA 0.311 58.530 58.200 0.032 0.000 0.872 245 S CB -0.103 63.157 63.200 0.099 0.000 0.843 245 S HN 0.838 nan 8.310 nan 0.000 0.611 246 D N 0.174 120.590 120.400 0.026 0.000 2.366 246 D HA 0.247 4.887 4.640 0.000 0.000 0.205 246 D C 1.507 177.770 176.300 -0.062 0.000 1.022 246 D CA 1.066 55.054 54.000 -0.021 0.000 0.868 246 D CB 0.045 40.823 40.800 -0.037 0.000 0.953 246 D HN 0.843 nan 8.370 nan 0.000 0.514 247 G N 1.254 110.015 108.800 -0.065 0.000 2.232 247 G HA2 -0.297 3.663 3.960 0.000 0.000 0.226 247 G HA3 -0.297 3.663 3.960 0.000 0.000 0.226 247 G C 1.068 175.903 174.900 -0.109 0.000 0.996 247 G CA 0.401 45.462 45.100 -0.065 0.000 0.626 247 G HN 0.426 nan 8.290 nan 0.000 0.509 248 K N 0.942 121.193 120.400 -0.248 0.000 2.374 248 K HA 0.263 4.583 4.320 0.000 0.000 0.196 248 K C 0.480 176.849 176.600 -0.385 0.000 1.023 248 K CA 0.174 56.258 56.287 -0.337 0.000 1.103 248 K CB 0.022 32.260 32.500 -0.437 0.000 0.848 248 K HN 0.459 nan 8.250 nan 0.000 0.528 249 H N 0.643 119.722 119.070 0.015 0.000 2.471 249 H HA 0.282 4.838 4.556 0.000 0.000 0.234 249 H C -1.076 174.270 175.328 0.030 0.000 1.388 249 H CA -0.775 55.273 56.048 0.000 0.000 1.198 249 H CB 0.086 29.860 29.762 0.021 0.000 1.714 249 H HN 0.073 nan 8.280 nan 0.000 0.536 250 D N 0.760 121.221 120.400 0.103 0.000 2.210 250 D HA 0.157 4.797 4.640 0.000 0.000 0.249 250 D C 0.198 176.553 176.300 0.093 0.000 1.062 250 D CA -0.285 53.805 54.000 0.149 0.000 0.891 250 D CB 1.289 42.155 40.800 0.111 0.000 1.186 250 D HN 0.040 nan 8.370 nan 0.000 0.432 251 F N 1.966 121.958 119.950 0.069 0.000 2.420 251 F HA 0.321 4.848 4.527 0.000 0.000 0.352 251 F C 1.009 176.846 175.800 0.063 0.000 1.108 251 F CA -0.128 57.886 58.000 0.025 0.000 1.162 251 F CB 0.701 39.700 39.000 -0.001 0.000 1.118 251 F HN -0.159 nan 8.300 nan 0.000 0.510 252 R N 3.896 124.508 120.500 0.185 0.000 2.533 252 R HA 0.398 4.738 4.340 0.000 0.000 0.288 252 R C -1.726 174.756 176.300 0.304 0.000 1.039 252 R CA -1.052 55.182 56.100 0.224 0.000 0.909 252 R CB 1.919 32.340 30.300 0.203 0.000 1.195 252 R HN 0.449 nan 8.270 nan 0.000 0.438 253 L N 2.505 123.881 121.223 0.255 0.000 2.281 253 L HA 0.291 4.631 4.340 0.000 0.000 0.285 253 L C 0.935 178.044 176.870 0.398 0.000 1.074 253 L CA -0.007 55.001 54.840 0.280 0.000 0.817 253 L CB 0.418 42.575 42.059 0.164 0.000 1.168 253 L HN 0.573 nan 8.230 nan 0.000 0.434 254 W N 0.909 122.319 121.300 0.183 0.000 2.519 254 W HA -0.005 4.655 4.660 0.000 0.000 0.266 254 W C 0.794 177.530 176.519 0.362 0.000 1.253 254 W CA -0.262 57.310 57.345 0.377 0.000 1.274 254 W CB -0.878 28.880 29.460 0.497 0.000 1.114 254 W HN 0.517 nan 8.180 nan 0.000 0.596 255 N N -0.536 118.342 118.700 0.297 0.000 2.444 255 N HA 0.042 4.782 4.740 0.000 0.000 0.255 255 N C 1.113 176.517 175.510 -0.177 0.000 1.255 255 N CA 0.554 53.459 53.050 -0.242 0.000 0.933 255 N CB 0.653 39.048 38.487 -0.153 0.000 1.143 255 N HN -0.281 nan 8.380 nan 0.000 0.453 256 S N -0.511 115.015 115.700 -0.290 0.000 2.388 256 S HA -0.031 4.439 4.470 0.000 0.000 0.223 256 S C 0.320 174.823 174.600 -0.162 0.000 1.034 256 S CA 0.767 58.872 58.200 -0.160 0.000 0.963 256 S CB -0.104 63.020 63.200 -0.128 0.000 0.827 256 S HN 0.663 nan 8.310 nan 0.000 0.481 257 Q N 0.016 119.704 119.800 -0.186 0.000 2.421 257 Q HA 0.455 4.795 4.340 0.000 0.000 0.280 257 Q C 0.079 175.957 176.000 -0.203 0.000 1.085 257 Q CA -0.854 54.837 55.803 -0.185 0.000 0.807 257 Q CB 1.068 29.733 28.738 -0.123 0.000 1.405 257 Q HN -0.031 nan 8.270 nan 0.000 0.419 258 L N 0.801 121.898 121.223 -0.210 0.000 1.978 258 L HA -0.047 4.293 4.340 0.000 0.000 0.218 258 L C 0.964 177.690 176.870 -0.241 0.000 1.075 258 L CA 1.920 56.641 54.840 -0.199 0.000 0.767 258 L CB -0.409 41.513 42.059 -0.228 0.000 0.890 258 L HN 0.661 nan 8.230 nan 0.000 0.434 259 I N -1.127 119.234 120.570 -0.350 0.000 2.378 259 I HA 0.425 4.595 4.170 0.000 0.000 0.291 259 I C -0.203 175.357 176.117 -0.930 0.000 0.992 259 I CA -0.625 60.302 61.300 -0.621 0.000 1.154 259 I CB 1.661 39.230 38.000 -0.720 0.000 1.315 259 I HN 0.036 nan 8.210 nan 0.000 0.448 260 R N 4.898 124.922 120.500 -0.794 0.000 2.579 260 R HA 0.411 4.751 4.340 0.000 0.000 0.260 260 R C -1.876 174.185 176.300 -0.399 0.000 1.103 260 R CA -0.720 55.029 56.100 -0.585 0.000 0.942 260 R CB 0.996 31.146 30.300 -0.250 0.000 1.251 260 R HN 0.297 nan 8.270 nan 0.000 0.450 261 Y N 1.535 121.802 120.300 -0.055 0.000 2.326 261 Y HA 0.576 5.126 4.550 0.000 0.000 0.333 261 Y C 1.016 176.920 175.900 0.006 0.000 1.240 261 Y CA 0.126 58.245 58.100 0.032 0.000 1.365 261 Y CB 0.994 39.567 38.460 0.188 0.000 1.289 261 Y HN 0.724 nan 8.280 nan 0.000 0.548 262 A N 1.041 123.941 122.820 0.135 0.000 2.304 262 A HA 0.689 5.009 4.320 0.000 0.000 0.271 262 A C 0.368 177.762 177.584 -0.317 0.000 1.091 262 A CA 0.117 52.063 52.037 -0.152 0.000 0.812 262 A CB -0.039 18.819 19.000 -0.237 0.000 1.056 262 A HN 0.898 nan 8.150 nan 0.000 0.489 263 G N -0.226 108.308 108.800 -0.444 0.000 2.609 263 G HA2 0.583 4.543 3.960 0.000 0.000 0.308 263 G HA3 0.583 4.543 3.960 0.000 0.000 0.308 263 G C -1.280 173.362 174.900 -0.430 0.000 1.369 263 G CA -0.270 44.618 45.100 -0.354 0.000 0.958 263 G HN 0.534 nan 8.290 nan 0.000 0.499 264 Y N 0.211 120.544 120.300 0.055 0.000 2.429 264 Y HA 0.464 5.014 4.550 0.000 0.000 0.342 264 Y C 0.419 176.370 175.900 0.084 0.000 1.004 264 Y CA -1.075 57.080 58.100 0.092 0.000 1.075 264 Y CB 2.729 41.284 38.460 0.157 0.000 1.214 264 Y HN 0.470 nan 8.280 nan 0.000 0.455 265 Q N 3.258 123.211 119.800 0.255 0.000 2.835 265 Q HA 0.264 4.604 4.340 0.000 0.000 0.235 265 Q C -0.702 175.386 176.000 0.147 0.000 1.313 265 Q CA -0.402 55.492 55.803 0.152 0.000 1.053 265 Q CB 0.048 28.851 28.738 0.108 0.000 1.443 265 Q HN 0.516 nan 8.270 nan 0.000 0.576 266 M N 3.285 122.969 119.600 0.140 0.000 2.214 266 M HA -0.068 4.412 4.480 0.000 0.000 0.306 266 M C -1.304 175.009 176.300 0.022 0.000 0.998 266 M CA -0.867 54.477 55.300 0.074 0.000 1.071 266 M CB -0.396 32.234 32.600 0.051 0.000 1.466 266 M HN 0.409 nan 8.290 nan 0.000 0.433 267 P HA -0.167 nan 4.420 nan 0.000 0.217 267 P C 0.437 177.724 177.300 -0.022 0.000 1.150 267 P CA 1.540 64.617 63.100 -0.037 0.000 0.832 267 P CB -0.274 31.379 31.700 -0.078 0.000 0.787 268 D N -1.002 119.387 120.400 -0.020 0.000 2.346 268 D HA 0.036 4.676 4.640 0.000 0.000 0.248 268 D C 1.374 177.674 176.300 -0.001 0.000 1.173 268 D CA 0.550 54.542 54.000 -0.013 0.000 0.878 268 D CB -0.860 39.931 40.800 -0.015 0.000 0.919 268 D HN 0.277 nan 8.370 nan 0.000 0.513 269 G N 0.912 109.716 108.800 0.006 0.000 2.328 269 G HA2 -0.360 3.600 3.960 0.000 0.000 0.256 269 G HA3 -0.360 3.600 3.960 0.000 0.000 0.256 269 G C 0.695 175.607 174.900 0.020 0.000 1.014 269 G CA 0.831 45.939 45.100 0.013 0.000 0.620 269 G HN 0.758 nan 8.290 nan 0.000 0.530 270 T N -0.496 114.069 114.554 0.019 0.000 2.813 270 T HA 0.612 4.962 4.350 0.000 0.000 0.297 270 T C 0.461 175.184 174.700 0.039 0.000 1.036 270 T CA -0.103 62.011 62.100 0.023 0.000 1.044 270 T CB 1.629 70.507 68.868 0.017 0.000 0.993 270 T HN 0.597 nan 8.240 nan 0.000 0.535 271 I N 1.234 121.823 120.570 0.031 0.000 2.378 271 I HA 0.450 4.620 4.170 0.000 0.000 0.291 271 I C 0.384 176.515 176.117 0.023 0.000 0.992 271 I CA -0.946 60.377 61.300 0.038 0.000 1.154 271 I CB 1.787 39.794 38.000 0.011 0.000 1.315 271 I HN 0.655 nan 8.210 nan 0.000 0.448 272 R N 4.660 125.205 120.500 0.075 0.000 2.589 272 R HA 0.724 5.064 4.340 0.000 0.000 0.293 272 R C 0.262 176.564 176.300 0.002 0.000 0.963 272 R CA 0.399 56.536 56.100 0.061 0.000 0.905 272 R CB 1.645 32.043 30.300 0.163 0.000 1.144 272 R HN 0.877 nan 8.270 nan 0.000 0.459 273 G N 2.608 111.323 108.800 -0.142 0.000 2.499 273 G HA2 -0.271 3.689 3.960 0.000 0.000 0.232 273 G HA3 -0.271 3.689 3.960 0.000 0.000 0.232 273 G C -1.058 173.493 174.900 -0.582 0.000 1.251 273 G CA 0.029 44.987 45.100 -0.237 0.000 0.917 273 G HN 0.680 nan 8.290 nan 0.000 0.580 274 D N 1.855 122.081 120.400 -0.289 0.000 2.402 274 D HA 0.540 5.180 4.640 0.000 0.000 0.235 274 D C 1.621 177.857 176.300 -0.107 0.000 1.226 274 D CA 0.880 54.757 54.000 -0.205 0.000 0.918 274 D CB 0.599 41.582 40.800 0.306 0.000 1.043 274 D HN 0.953 nan 8.370 nan 0.000 0.506 275 A N 3.782 126.514 122.820 -0.147 0.000 2.084 275 A HA -0.168 4.152 4.320 0.000 0.000 0.221 275 A C 2.046 179.643 177.584 0.020 0.000 1.161 275 A CA 1.854 53.861 52.037 -0.050 0.000 0.653 275 A CB -0.204 18.773 19.000 -0.038 0.000 0.802 275 A HN 0.603 nan 8.150 nan 0.000 0.457 276 A N -0.602 122.257 122.820 0.065 0.000 2.066 276 A HA 0.054 4.374 4.320 0.000 0.000 0.218 276 A C 1.998 179.644 177.584 0.102 0.000 1.157 276 A CA 1.813 53.915 52.037 0.109 0.000 0.670 276 A CB -0.780 18.315 19.000 0.159 0.000 0.804 276 A HN 0.809 nan 8.150 nan 0.000 0.453 277 T N -2.634 111.968 114.554 0.081 0.000 3.251 277 T HA 0.420 4.770 4.350 0.000 0.000 0.259 277 T C 1.266 175.991 174.700 0.042 0.000 0.998 277 T CA -0.116 62.031 62.100 0.078 0.000 0.905 277 T CB -0.367 68.545 68.868 0.074 0.000 1.067 277 T HN 0.228 nan 8.240 nan 0.000 0.569 278 L N 0.712 121.949 121.223 0.025 0.000 1.970 278 L HA -0.117 4.223 4.340 0.000 0.000 0.212 278 L C 2.900 179.774 176.870 0.007 0.000 1.071 278 L CA 1.920 56.763 54.840 0.004 0.000 0.751 278 L CB -0.407 41.663 42.059 0.019 0.000 0.889 278 L HN 0.400 nan 8.230 nan 0.000 0.432 279 E N -0.647 119.566 120.200 0.022 0.000 2.031 279 E HA -0.276 4.074 4.350 0.000 0.000 0.193 279 E C 2.049 178.601 176.600 -0.080 0.000 0.994 279 E CA 1.535 57.923 56.400 -0.019 0.000 0.800 279 E CB -0.268 29.431 29.700 -0.001 0.000 0.752 279 E HN 0.346 nan 8.360 nan 0.000 0.447 280 F N 1.653 121.488 119.950 -0.192 0.000 2.216 280 F HA -0.167 4.360 4.527 0.000 0.000 0.300 280 F C 2.269 177.954 175.800 -0.192 0.000 1.085 280 F CA 1.352 59.198 58.000 -0.257 0.000 1.326 280 F CB -0.113 38.765 39.000 -0.205 0.000 1.027 280 F HN -0.110 nan 8.300 nan 0.000 0.497 281 T N -0.528 113.984 114.554 -0.071 0.000 2.915 281 T HA -0.199 4.151 4.350 0.000 0.000 0.269 281 T C 1.721 176.364 174.700 -0.095 0.000 1.071 281 T CA 1.370 63.393 62.100 -0.129 0.000 1.132 281 T CB -0.168 68.620 68.868 -0.132 0.000 0.878 281 T HN 0.227 nan 8.240 nan 0.000 0.479 282 Q N 1.174 120.915 119.800 -0.098 0.000 2.020 282 Q HA 0.076 4.416 4.340 0.000 0.000 0.198 282 Q C 2.138 178.054 176.000 -0.140 0.000 0.974 282 Q CA 1.232 56.997 55.803 -0.064 0.000 0.829 282 Q CB -0.770 27.937 28.738 -0.051 0.000 0.894 282 Q HN 0.545 nan 8.270 nan 0.000 0.433 283 L N -0.463 120.595 121.223 -0.275 0.000 2.129 283 L HA -0.244 4.096 4.340 0.000 0.000 0.212 283 L C 2.015 178.697 176.870 -0.314 0.000 1.087 283 L CA 1.665 56.314 54.840 -0.317 0.000 0.757 283 L CB -0.373 41.391 42.059 -0.493 0.000 0.896 283 L HN 0.361 nan 8.230 nan 0.000 0.434 284 C N -0.329 118.726 119.300 -0.407 0.000 2.466 284 C HA -0.100 4.360 4.460 0.000 0.000 0.278 284 C C 2.633 177.644 174.990 0.034 0.000 1.288 284 C CA 0.235 59.084 59.018 -0.281 0.000 1.722 284 C CB -0.707 26.759 27.740 -0.458 0.000 2.017 284 C HN 0.566 nan 8.230 nan 0.000 0.488 285 I N 1.604 122.239 120.570 0.108 0.000 2.127 285 I HA -0.173 3.997 4.170 0.000 0.000 0.241 285 I C 2.091 178.228 176.117 0.035 0.000 1.075 285 I CA 1.892 63.278 61.300 0.143 0.000 1.334 285 I CB -1.655 36.413 38.000 0.114 0.000 1.040 285 I HN 0.342 nan 8.210 nan 0.000 0.405 286 D N 0.865 121.250 120.400 -0.025 0.000 2.228 286 D HA -0.162 4.478 4.640 0.000 0.000 0.203 286 D C 1.952 178.205 176.300 -0.079 0.000 0.988 286 D CA 1.004 54.965 54.000 -0.065 0.000 0.864 286 D CB -0.189 40.551 40.800 -0.100 0.000 0.928 286 D HN 0.366 nan 8.370 nan 0.000 0.469 287 L N -1.013 120.171 121.223 -0.066 0.000 2.653 287 L HA 0.280 4.620 4.340 0.000 0.000 0.232 287 L C 1.651 178.497 176.870 -0.039 0.000 1.169 287 L CA 0.231 55.032 54.840 -0.064 0.000 0.951 287 L CB 0.102 42.115 42.059 -0.076 0.000 1.181 287 L HN 0.140 nan 8.230 nan 0.000 0.460 288 G N -0.981 107.812 108.800 -0.013 0.000 2.424 288 G HA2 -0.310 3.650 3.960 0.000 0.000 0.207 288 G HA3 -0.310 3.650 3.960 0.000 0.000 0.207 288 G C 0.030 174.949 174.900 0.032 0.000 1.061 288 G CA -0.254 44.840 45.100 -0.011 0.000 0.657 288 G HN 0.261 nan 8.290 nan 0.000 0.508 289 W N 4.618 125.853 121.300 -0.108 0.000 2.571 289 W HA 0.390 5.050 4.660 0.000 0.000 0.334 289 W C 0.194 176.676 176.519 -0.062 0.000 1.141 289 W CA 0.737 58.030 57.345 -0.087 0.000 1.299 289 W CB 0.535 29.940 29.460 -0.091 0.000 1.154 289 W HN 0.074 nan 8.180 nan 0.000 0.563 290 K N 8.930 128.876 120.400 -0.757 0.000 2.264 290 K HA 0.256 4.576 4.320 0.000 0.000 0.277 290 K C -2.220 173.631 176.600 -1.249 0.000 1.067 290 K CA -1.857 53.999 56.287 -0.719 0.000 0.900 290 K CB 0.526 32.764 32.500 -0.437 0.000 1.124 290 K HN 0.301 nan 8.250 nan 0.000 0.469 291 P HA 0.173 nan 4.420 nan 0.000 0.268 291 P C -0.258 176.539 177.300 -0.838 0.000 1.204 291 P CA -0.199 62.299 63.100 -1.003 0.000 0.768 291 P CB 0.773 31.960 31.700 -0.855 0.000 0.842 292 R N 1.286 121.410 120.500 -0.627 0.000 2.397 292 R HA 0.174 4.514 4.340 0.000 0.000 0.241 292 R C -0.029 176.092 176.300 -0.299 0.000 0.914 292 R CA -0.244 55.674 56.100 -0.303 0.000 1.071 292 R CB -0.747 29.508 30.300 -0.075 0.000 1.116 292 R HN 0.377 nan 8.270 nan 0.000 0.524 293 Y N -0.726 119.114 120.300 -0.765 0.000 3.152 293 Y HA -0.275 4.275 4.550 0.000 0.000 0.212 293 Y C 0.933 176.700 175.900 -0.222 0.000 1.198 293 Y CA 0.664 58.201 58.100 -0.938 0.000 1.220 293 Y CB -1.931 36.193 38.460 -0.562 0.000 1.326 293 Y HN 0.248 nan 8.280 nan 0.000 0.562 294 G N -0.351 108.542 108.800 0.156 0.000 2.521 294 G HA2 0.491 4.451 3.960 0.000 0.000 0.323 294 G HA3 0.491 4.451 3.960 0.000 0.000 0.323 294 G C 0.572 175.594 174.900 0.203 0.000 1.211 294 G CA -0.579 44.638 45.100 0.194 0.000 0.979 294 G HN 0.322 nan 8.290 nan 0.000 0.490 295 R N -1.135 119.372 120.500 0.011 0.000 2.161 295 R HA 0.150 4.490 4.340 0.000 0.000 0.213 295 R C -0.072 175.849 176.300 -0.632 0.000 1.055 295 R CA 0.662 56.587 56.100 -0.291 0.000 0.996 295 R CB -0.021 30.014 30.300 -0.443 0.000 0.901 295 R HN 0.369 nan 8.270 nan 0.000 0.456 296 F N 1.059 120.982 119.950 -0.044 0.000 2.577 296 F HA 0.300 4.827 4.527 0.000 0.000 0.342 296 F C -1.108 174.680 175.800 -0.020 0.000 1.479 296 F CA -1.200 56.514 58.000 -0.476 0.000 1.110 296 F CB 0.829 39.403 39.000 -0.709 0.000 1.306 296 F HN -0.255 nan 8.300 nan 0.000 0.554 297 D N 1.665 122.272 120.400 0.345 0.000 2.313 297 D HA 0.210 4.850 4.640 0.000 0.000 0.239 297 D C 0.179 176.763 176.300 0.473 0.000 1.142 297 D CA -0.010 54.250 54.000 0.433 0.000 0.847 297 D CB 2.440 43.538 40.800 0.497 0.000 1.082 297 D HN -0.046 nan 8.370 nan 0.000 0.480 298 V N 3.946 124.095 119.914 0.391 0.000 2.485 298 V HA -0.021 4.099 4.120 0.000 0.000 0.287 298 V C 1.148 177.273 176.094 0.051 0.000 1.022 298 V CA -0.207 62.176 62.300 0.139 0.000 1.067 298 V CB -0.042 31.809 31.823 0.046 0.000 0.967 298 V HN 0.345 nan 8.190 nan 0.000 0.479 299 L N 8.241 129.395 121.223 -0.115 0.000 2.479 299 L HA 0.271 4.611 4.340 0.000 0.000 0.270 299 L C -1.644 175.045 176.870 -0.302 0.000 1.236 299 L CA -1.109 53.526 54.840 -0.342 0.000 0.823 299 L CB 0.369 42.296 42.059 -0.220 0.000 1.098 299 L HN 0.483 nan 8.230 nan 0.000 0.500 300 P HA 0.189 nan 4.420 nan 0.000 0.281 300 P C -1.152 176.115 177.300 -0.055 0.000 1.264 300 P CA -0.718 62.225 63.100 -0.261 0.000 0.824 300 P CB 1.275 32.687 31.700 -0.480 0.000 1.092 301 L N 1.461 122.731 121.223 0.079 0.000 2.331 301 L HA 0.197 4.537 4.340 0.000 0.000 0.278 301 L C 0.042 177.016 176.870 0.173 0.000 1.106 301 L CA -0.185 54.757 54.840 0.170 0.000 0.824 301 L CB 0.623 42.845 42.059 0.271 0.000 1.142 301 L HN 0.095 nan 8.230 nan 0.000 0.443 302 V N 6.185 126.219 119.914 0.201 0.000 2.284 302 V HA 0.365 4.486 4.120 0.000 0.000 0.274 302 V C -0.372 175.763 176.094 0.067 0.000 1.023 302 V CA -0.665 61.691 62.300 0.093 0.000 0.808 302 V CB 1.252 33.160 31.823 0.142 0.000 1.035 302 V HN 0.373 nan 8.190 nan 0.000 0.445 303 L N 4.898 126.147 121.223 0.044 0.000 2.329 303 L HA 0.622 4.962 4.340 0.000 0.000 0.279 303 L C 0.021 176.793 176.870 -0.164 0.000 1.014 303 L CA -0.425 54.416 54.840 0.001 0.000 0.814 303 L CB 1.817 43.908 42.059 0.053 0.000 1.257 303 L HN 0.811 nan 8.230 nan 0.000 0.424 304 Q N 2.080 121.771 119.800 -0.181 0.000 2.357 304 Q HA 0.866 5.206 4.340 0.000 0.000 0.266 304 Q C -1.149 174.693 176.000 -0.263 0.000 1.021 304 Q CA -0.666 54.978 55.803 -0.265 0.000 0.784 304 Q CB 1.836 30.423 28.738 -0.253 0.000 1.243 304 Q HN 0.679 nan 8.270 nan 0.000 0.465 305 A N 3.003 125.618 122.820 -0.342 0.000 2.303 305 A HA 0.584 4.904 4.320 0.000 0.000 0.317 305 A C 0.187 177.300 177.584 -0.786 0.000 1.149 305 A CA 0.421 52.068 52.037 -0.651 0.000 0.822 305 A CB 0.717 19.505 19.000 -0.353 0.000 1.131 305 A HN 1.124 nan 8.150 nan 0.000 0.493 306 D N 0.618 120.103 120.400 -1.525 0.000 4.543 306 D HA -0.243 4.397 4.640 0.000 0.000 0.195 306 D C 1.008 177.115 176.300 -0.321 0.000 0.625 306 D CA 3.897 57.451 54.000 -0.745 0.000 1.383 306 D CB -1.406 39.183 40.800 -0.352 0.000 0.867 306 D HN 1.311 nan 8.370 nan 0.000 0.458 307 G N -0.851 107.867 108.800 -0.137 0.000 3.873 307 G HA2 0.242 4.202 3.960 0.000 0.000 0.232 307 G HA3 0.242 4.202 3.960 0.000 0.000 0.232 307 G C -0.001 174.905 174.900 0.010 0.000 1.097 307 G CA 0.579 45.688 45.100 0.014 0.000 0.889 307 G HN 0.475 nan 8.290 nan 0.000 0.532 308 Q N 1.538 121.292 119.800 -0.077 0.000 2.535 308 Q HA 0.225 4.565 4.340 0.000 0.000 0.228 308 Q C 0.121 176.016 176.000 -0.175 0.000 1.062 308 Q CA -0.118 55.641 55.803 -0.074 0.000 0.967 308 Q CB 0.351 29.030 28.738 -0.097 0.000 1.273 308 Q HN 0.219 nan 8.270 nan 0.000 0.554 309 D N 1.915 122.194 120.400 -0.201 0.000 2.390 309 D HA 0.064 4.704 4.640 0.000 0.000 0.236 309 D C -2.084 173.858 176.300 -0.597 0.000 1.189 309 D CA -0.464 53.209 54.000 -0.546 0.000 0.887 309 D CB -0.017 40.559 40.800 -0.373 0.000 1.198 309 D HN 0.432 nan 8.370 nan 0.000 0.444 310 P HA 0.171 nan 4.420 nan 0.000 0.281 310 P C -0.798 176.253 177.300 -0.414 0.000 1.252 310 P CA -0.172 62.469 63.100 -0.766 0.000 0.778 310 P CB 1.043 31.859 31.700 -1.474 0.000 0.895 311 E N 1.326 121.379 120.200 -0.245 0.000 2.191 311 E HA 0.340 4.690 4.350 0.000 0.000 0.278 311 E C -0.452 175.933 176.600 -0.359 0.000 0.972 311 E CA -1.136 55.100 56.400 -0.273 0.000 0.804 311 E CB 1.683 31.263 29.700 -0.199 0.000 1.110 311 E HN 0.211 nan 8.360 nan 0.000 0.394 312 V N 3.861 123.478 119.914 -0.496 0.000 2.498 312 V HA 0.258 4.378 4.120 0.000 0.000 0.279 312 V C -0.605 175.061 176.094 -0.712 0.000 1.048 312 V CA -0.124 61.940 62.300 -0.394 0.000 0.967 312 V CB -0.075 31.612 31.823 -0.227 0.000 0.988 312 V HN 0.510 nan 8.190 nan 0.000 0.473 313 F N 2.331 122.147 119.950 -0.224 0.000 2.539 313 F HA 0.386 4.913 4.527 0.000 0.000 0.328 313 F C 0.250 175.936 175.800 -0.191 0.000 1.148 313 F CA -0.598 57.152 58.000 -0.418 0.000 0.940 313 F CB 1.514 39.977 39.000 -0.895 0.000 1.194 313 F HN 0.511 nan 8.300 nan 0.000 0.438 314 E N 4.095 124.332 120.200 0.062 0.000 2.360 314 E HA 0.320 4.670 4.350 0.000 0.000 0.269 314 E C -0.480 176.299 176.600 0.298 0.000 1.022 314 E CA -0.364 56.152 56.400 0.193 0.000 0.887 314 E CB 0.834 30.679 29.700 0.240 0.000 0.990 314 E HN 0.557 nan 8.360 nan 0.000 0.426 315 I N 6.043 126.775 120.570 0.271 0.000 2.496 315 I HA 0.128 4.298 4.170 0.000 0.000 0.285 315 I C -1.963 174.281 176.117 0.212 0.000 1.080 315 I CA -2.113 59.352 61.300 0.274 0.000 1.404 315 I CB 0.774 38.855 38.000 0.135 0.000 1.403 315 I HN 0.404 nan 8.210 nan 0.000 0.539 316 P HA 0.100 nan 4.420 nan 0.000 0.264 316 P C -2.023 175.331 177.300 0.091 0.000 1.229 316 P CA -0.937 62.245 63.100 0.136 0.000 0.780 316 P CB 0.248 32.007 31.700 0.098 0.000 0.808 317 P HA -0.239 nan 4.420 nan 0.000 0.218 317 P C 0.905 178.240 177.300 0.059 0.000 1.150 317 P CA 1.446 64.595 63.100 0.082 0.000 0.841 317 P CB 0.010 31.764 31.700 0.089 0.000 0.784 318 D N -1.205 119.226 120.400 0.051 0.000 2.264 318 D HA -0.063 4.577 4.640 0.000 0.000 0.208 318 D C 1.761 178.077 176.300 0.027 0.000 0.966 318 D CA 0.883 54.904 54.000 0.035 0.000 0.864 318 D CB -0.229 40.589 40.800 0.030 0.000 0.933 318 D HN 0.259 nan 8.370 nan 0.000 0.499 319 L N 0.400 121.638 121.223 0.025 0.000 2.492 319 L HA 0.023 4.363 4.340 0.000 0.000 0.223 319 L C 0.456 177.336 176.870 0.017 0.000 1.132 319 L CA 0.157 55.005 54.840 0.013 0.000 0.850 319 L CB 0.464 42.519 42.059 -0.006 0.000 0.966 319 L HN -0.223 nan 8.230 nan 0.000 0.454 320 V N 1.895 121.824 119.914 0.025 0.000 2.304 320 V HA 0.161 4.281 4.120 0.000 0.000 0.269 320 V C 0.030 176.150 176.094 0.042 0.000 1.036 320 V CA -0.559 61.757 62.300 0.026 0.000 0.840 320 V CB 1.221 33.054 31.823 0.017 0.000 1.036 320 V HN 0.033 nan 8.190 nan 0.000 0.466 321 L N 5.586 126.838 121.223 0.047 0.000 2.349 321 L HA 0.529 4.869 4.340 0.000 0.000 0.275 321 L C 0.086 176.979 176.870 0.039 0.000 1.115 321 L CA 0.723 55.582 54.840 0.032 0.000 0.820 321 L CB 0.654 42.728 42.059 0.024 0.000 1.135 321 L HN 0.691 nan 8.230 nan 0.000 0.445 322 E N 3.096 123.295 120.200 -0.002 0.000 2.392 322 E HA 0.612 4.962 4.350 0.000 0.000 0.269 322 E C -1.551 174.974 176.600 -0.126 0.000 0.924 322 E CA -1.054 55.334 56.400 -0.020 0.000 0.784 322 E CB 2.459 32.177 29.700 0.030 0.000 1.292 322 E HN 0.378 nan 8.360 nan 0.000 0.447 323 V N 1.573 121.377 119.914 -0.184 0.000 2.444 323 V HA 0.267 4.388 4.120 0.000 0.000 0.294 323 V C -0.117 175.915 176.094 -0.104 0.000 1.022 323 V CA -0.833 61.314 62.300 -0.254 0.000 0.850 323 V CB 1.510 32.961 31.823 -0.619 0.000 0.992 323 V HN 0.843 nan 8.190 nan 0.000 0.426 324 T N 3.637 118.148 114.554 -0.071 0.000 2.832 324 T HA 0.499 4.849 4.350 0.000 0.000 0.296 324 T C -0.073 174.656 174.700 0.047 0.000 0.968 324 T CA -0.749 61.337 62.100 -0.022 0.000 1.107 324 T CB 0.727 69.584 68.868 -0.018 0.000 0.916 324 T HN 0.315 nan 8.240 nan 0.000 0.517 325 M N 4.093 123.763 119.600 0.116 0.000 2.162 325 M HA 0.318 4.798 4.480 0.000 0.000 0.356 325 M C 0.416 176.912 176.300 0.328 0.000 1.303 325 M CA -0.016 55.437 55.300 0.254 0.000 1.116 325 M CB -0.074 32.758 32.600 0.385 0.000 1.632 325 M HN 0.944 nan 8.290 nan 0.000 0.469 326 E N 1.814 122.201 120.200 0.312 0.000 2.366 326 E HA 0.405 4.755 4.350 0.000 0.000 0.278 326 E C -1.335 175.365 176.600 0.166 0.000 0.923 326 E CA -0.869 55.720 56.400 0.315 0.000 0.761 326 E CB 2.120 31.941 29.700 0.201 0.000 1.231 326 E HN 0.634 nan 8.360 nan 0.000 0.443 327 H N 2.685 121.707 119.070 -0.080 0.000 2.487 327 H HA 0.198 4.754 4.556 0.000 0.000 0.333 327 H C -1.629 173.447 175.328 -0.419 0.000 1.114 327 H CA -2.071 53.757 56.048 -0.368 0.000 1.310 327 H CB 1.887 31.362 29.762 -0.477 0.000 1.462 327 H HN 0.443 nan 8.280 nan 0.000 0.516 328 P HA -0.070 nan 4.420 nan 0.000 0.225 328 P C 0.313 177.371 177.300 -0.402 0.000 1.148 328 P CA 1.086 63.610 63.100 -0.960 0.000 0.779 328 P CB 0.816 31.864 31.700 -1.086 0.000 0.780 329 K N -2.142 118.181 120.400 -0.128 0.000 2.485 329 K HA 0.175 4.495 4.320 0.000 0.000 0.200 329 K C 0.157 176.630 176.600 -0.210 0.000 1.344 329 K CA 0.296 56.483 56.287 -0.166 0.000 0.948 329 K CB -0.266 32.041 32.500 -0.322 0.000 1.454 329 K HN -0.052 nan 8.250 nan 0.000 0.502 330 Y N 3.084 123.303 120.300 -0.135 0.000 2.584 330 Y HA 0.088 4.638 4.550 0.000 0.000 0.351 330 Y C 1.024 176.645 175.900 -0.466 0.000 1.030 330 Y CA -0.109 57.651 58.100 -0.568 0.000 1.332 330 Y CB 0.189 37.810 38.460 -1.399 0.000 1.148 330 Y HN 0.120 nan 8.280 nan 0.000 0.528 331 E N 3.468 123.627 120.200 -0.069 0.000 2.204 331 E HA -0.185 4.165 4.350 0.000 0.000 0.194 331 E C 1.439 178.074 176.600 0.058 0.000 0.989 331 E CA 1.113 57.526 56.400 0.022 0.000 0.824 331 E CB -0.122 29.632 29.700 0.089 0.000 0.756 331 E HN 0.900 nan 8.360 nan 0.000 0.477 332 W N 0.015 121.418 121.300 0.172 0.000 2.611 332 W HA -0.051 4.609 4.660 0.000 0.000 0.251 332 W C 1.335 177.910 176.519 0.092 0.000 1.265 332 W CA -0.163 57.241 57.345 0.099 0.000 1.295 332 W CB -0.847 28.640 29.460 0.045 0.000 1.129 332 W HN -0.053 nan 8.180 nan 0.000 0.630 333 F N 3.377 123.085 119.950 -0.404 0.000 2.134 333 F HA -0.270 4.257 4.527 0.000 0.000 0.299 333 F C 2.981 178.774 175.800 -0.012 0.000 1.097 333 F CA 3.093 60.913 58.000 -0.300 0.000 1.264 333 F CB -0.503 38.270 39.000 -0.379 0.000 1.001 333 F HN 0.011 nan 8.300 nan 0.000 0.479 334 Q N -0.239 119.623 119.800 0.102 0.000 2.224 334 Q HA -0.213 4.127 4.340 0.000 0.000 0.203 334 Q C 1.628 177.642 176.000 0.023 0.000 0.970 334 Q CA 1.722 57.568 55.803 0.071 0.000 0.865 334 Q CB -0.853 27.944 28.738 0.097 0.000 0.922 334 Q HN 0.505 nan 8.270 nan 0.000 0.445 335 E N 0.520 120.753 120.200 0.055 0.000 2.265 335 E HA -0.142 4.208 4.350 0.000 0.000 0.196 335 E C 1.485 178.093 176.600 0.014 0.000 0.996 335 E CA 0.637 57.075 56.400 0.063 0.000 0.832 335 E CB 0.027 29.802 29.700 0.125 0.000 0.756 335 E HN 0.293 nan 8.360 nan 0.000 0.491 336 L N -0.360 120.821 121.223 -0.069 0.000 2.362 336 L HA 0.006 4.346 4.340 0.000 0.000 0.219 336 L C 1.520 178.357 176.870 -0.056 0.000 1.134 336 L CA 1.322 56.086 54.840 -0.128 0.000 0.807 336 L CB -0.780 41.050 42.059 -0.382 0.000 0.927 336 L HN 0.205 nan 8.230 nan 0.000 0.447 337 G N -0.250 108.534 108.800 -0.026 0.000 2.295 337 G HA2 -0.263 3.697 3.960 0.000 0.000 0.287 337 G HA3 -0.263 3.697 3.960 0.000 0.000 0.287 337 G C -0.026 174.921 174.900 0.079 0.000 1.055 337 G CA 0.003 45.128 45.100 0.043 0.000 0.922 337 G HN 0.141 nan 8.290 nan 0.000 0.503 338 L N -0.193 121.014 121.223 -0.028 0.000 2.360 338 L HA 0.902 5.242 4.340 0.000 0.000 0.271 338 L C 0.516 177.291 176.870 -0.159 0.000 1.057 338 L CA -0.382 54.410 54.840 -0.080 0.000 0.803 338 L CB 1.639 43.557 42.059 -0.235 0.000 1.207 338 L HN 0.654 nan 8.230 nan 0.000 0.445 339 K N 0.634 120.816 120.400 -0.363 0.000 2.615 339 K HA 0.540 4.860 4.320 0.000 0.000 0.291 339 K C -1.915 174.703 176.600 0.029 0.000 1.017 339 K CA -1.000 55.164 56.287 -0.205 0.000 0.882 339 K CB 1.734 34.016 32.500 -0.364 0.000 1.522 339 K HN 0.490 nan 8.250 nan 0.000 0.412 340 W N 1.823 123.073 121.300 -0.083 0.000 3.248 340 W HA 0.317 4.977 4.660 0.000 0.000 0.311 340 W C -1.300 175.226 176.519 0.012 0.000 1.258 340 W CA -0.776 56.577 57.345 0.013 0.000 1.191 340 W CB 1.598 30.946 29.460 -0.187 0.000 1.389 340 W HN 0.699 nan 8.180 nan 0.000 0.561 341 Y N 1.006 121.158 120.300 -0.247 0.000 2.326 341 Y HA 0.526 5.076 4.550 0.000 0.000 0.333 341 Y C 0.734 176.778 175.900 0.240 0.000 1.240 341 Y CA 0.093 58.144 58.100 -0.081 0.000 1.365 341 Y CB 0.203 38.504 38.460 -0.265 0.000 1.289 341 Y HN 0.334 nan 8.280 nan 0.000 0.548 342 A N 2.043 125.064 122.820 0.336 0.000 2.178 342 A HA 0.198 4.518 4.320 0.000 0.000 0.211 342 A C 0.120 178.052 177.584 0.581 0.000 1.157 342 A CA 0.043 52.358 52.037 0.463 0.000 0.780 342 A CB -0.216 18.911 19.000 0.212 0.000 0.828 342 A HN 0.628 nan 8.150 nan 0.000 0.476 343 L N 1.890 123.426 121.223 0.522 0.000 2.276 343 L HA 0.451 4.791 4.340 0.000 0.000 0.286 343 L C -2.629 174.403 176.870 0.269 0.000 1.024 343 L CA -2.154 52.885 54.840 0.333 0.000 0.826 343 L CB 1.818 43.991 42.059 0.189 0.000 1.211 343 L HN -0.057 nan 8.230 nan 0.000 0.422 344 P HA 0.436 nan 4.420 nan 0.000 0.295 344 P C -1.547 175.650 177.300 -0.172 0.000 1.354 344 P CA -0.354 62.568 63.100 -0.295 0.000 0.814 344 P CB 1.485 32.616 31.700 -0.948 0.000 0.935 345 A N 4.079 126.816 122.820 -0.137 0.000 2.381 345 A HA 0.499 4.819 4.320 0.000 0.000 0.299 345 A C -0.569 176.829 177.584 -0.311 0.000 1.049 345 A CA -0.666 51.238 52.037 -0.221 0.000 0.715 345 A CB 1.426 20.291 19.000 -0.225 0.000 1.222 345 A HN 0.274 nan 8.150 nan 0.000 0.428 346 V N 2.127 121.724 119.914 -0.529 0.000 2.530 346 V HA 0.446 4.566 4.120 0.000 0.000 0.282 346 V C 1.167 176.870 176.094 -0.651 0.000 1.048 346 V CA 0.826 62.746 62.300 -0.634 0.000 0.997 346 V CB 1.058 32.296 31.823 -0.974 0.000 0.987 346 V HN 1.191 nan 8.190 nan 0.000 0.477 347 A N 3.936 126.535 122.820 -0.368 0.000 2.192 347 A HA 0.119 4.439 4.320 0.000 0.000 0.208 347 A C 1.284 178.790 177.584 -0.130 0.000 1.220 347 A CA 0.398 52.295 52.037 -0.234 0.000 0.900 347 A CB -0.102 18.813 19.000 -0.142 0.000 0.937 347 A HN 0.912 nan 8.150 nan 0.000 0.487 348 N N -0.943 117.683 118.700 -0.124 0.000 2.279 348 N HA 0.299 5.039 4.740 0.000 0.000 0.226 348 N C -0.001 175.517 175.510 0.014 0.000 1.126 348 N CA -0.212 52.814 53.050 -0.041 0.000 0.846 348 N CB 0.154 38.611 38.487 -0.051 0.000 1.050 348 N HN 0.313 nan 8.380 nan 0.000 0.502 349 M N 1.179 120.787 119.600 0.013 0.000 2.528 349 M HA 0.375 4.855 4.480 0.000 0.000 0.318 349 M C -0.710 175.724 176.300 0.224 0.000 1.195 349 M CA -0.927 54.459 55.300 0.144 0.000 1.000 349 M CB 2.594 35.298 32.600 0.174 0.000 1.615 349 M HN 0.117 nan 8.290 nan 0.000 0.469 350 L N 2.608 123.997 121.223 0.278 0.000 2.317 350 L HA 0.562 4.902 4.340 0.000 0.000 0.281 350 L C -1.451 175.639 176.870 0.367 0.000 1.024 350 L CA -0.997 54.020 54.840 0.295 0.000 0.810 350 L CB 1.289 43.481 42.059 0.221 0.000 1.240 350 L HN 0.616 nan 8.230 nan 0.000 0.427 351 L N 5.204 126.642 121.223 0.357 0.000 2.262 351 L HA 0.419 4.759 4.340 0.000 0.000 0.288 351 L C -0.316 176.702 176.870 0.246 0.000 1.035 351 L CA 0.216 55.197 54.840 0.235 0.000 0.820 351 L CB 0.975 43.126 42.059 0.152 0.000 1.204 351 L HN 0.618 nan 8.230 nan 0.000 0.424 352 E N 4.855 125.164 120.200 0.182 0.000 2.197 352 E HA 0.449 4.799 4.350 0.000 0.000 0.281 352 E C -1.785 174.835 176.600 0.032 0.000 0.995 352 E CA -0.294 56.187 56.400 0.135 0.000 0.808 352 E CB 1.773 31.590 29.700 0.196 0.000 1.093 352 E HN 0.518 nan 8.360 nan 0.000 0.394 353 V N 3.282 123.185 119.914 -0.018 0.000 2.817 353 V HA 0.452 4.572 4.120 0.000 0.000 0.303 353 V C 0.401 176.376 176.094 -0.199 0.000 1.151 353 V CA 0.344 62.525 62.300 -0.199 0.000 0.929 353 V CB 1.517 33.128 31.823 -0.353 0.000 1.030 353 V HN 0.872 nan 8.190 nan 0.000 0.427 354 G N 4.273 112.968 108.800 -0.175 0.000 2.467 354 G HA2 0.067 4.027 3.960 0.000 0.000 0.302 354 G HA3 0.067 4.027 3.960 0.000 0.000 0.302 354 G C 1.549 176.601 174.900 0.254 0.000 0.930 354 G CA 1.705 46.904 45.100 0.164 0.000 1.008 354 G HN 2.697 nan 8.290 nan 0.000 0.512 355 G N -2.018 106.845 108.800 0.104 0.000 2.284 355 G HA2 -0.232 3.728 3.960 0.000 0.000 0.230 355 G HA3 -0.232 3.728 3.960 0.000 0.000 0.230 355 G C 0.497 175.435 174.900 0.064 0.000 1.021 355 G CA 0.301 45.480 45.100 0.131 0.000 0.619 355 G HN 1.172 nan 8.290 nan 0.000 0.510 356 L N 1.566 122.805 121.223 0.026 0.000 2.375 356 L HA 0.653 4.993 4.340 0.000 0.000 0.271 356 L C 0.366 177.132 176.870 -0.174 0.000 1.107 356 L CA -0.610 54.145 54.840 -0.142 0.000 0.806 356 L CB 1.255 43.140 42.059 -0.290 0.000 1.146 356 L HN 0.519 nan 8.230 nan 0.000 0.447 357 E N 1.726 121.744 120.200 -0.303 0.000 2.263 357 E HA 0.421 4.771 4.350 0.000 0.000 0.268 357 E C -1.643 174.799 176.600 -0.263 0.000 0.884 357 E CA -0.663 55.647 56.400 -0.151 0.000 0.766 357 E CB 1.427 31.082 29.700 -0.075 0.000 1.196 357 E HN 0.220 nan 8.360 nan 0.000 0.416 358 F N 3.659 123.626 119.950 0.028 0.000 2.313 358 F HA 0.292 4.819 4.527 0.000 0.000 0.369 358 F C -1.498 174.369 175.800 0.112 0.000 1.109 358 F CA -2.688 55.349 58.000 0.063 0.000 1.132 358 F CB 1.329 40.357 39.000 0.046 0.000 1.291 358 F HN 0.397 nan 8.300 nan 0.000 0.496 359 P HA -0.030 nan 4.420 nan 0.000 0.234 359 P C -0.046 177.400 177.300 0.244 0.000 1.167 359 P CA 0.638 63.861 63.100 0.205 0.000 0.763 359 P CB 0.432 32.222 31.700 0.149 0.000 0.835 360 A N 0.281 123.293 122.820 0.320 0.000 2.411 360 A HA 0.540 4.860 4.320 0.000 0.000 0.285 360 A C -0.145 177.662 177.584 0.372 0.000 1.129 360 A CA -0.418 51.834 52.037 0.357 0.000 0.736 360 A CB 0.323 19.584 19.000 0.434 0.000 1.186 360 A HN 0.275 nan 8.150 nan 0.000 0.445 361 C N 0.858 120.314 119.300 0.261 0.000 3.079 361 C HA 0.450 4.910 4.460 0.000 0.000 0.246 361 C C -2.818 172.230 174.990 0.097 0.000 1.025 361 C CA -1.458 57.659 59.018 0.166 0.000 1.081 361 C CB -0.353 27.499 27.740 0.187 0.000 1.757 361 C HN 0.592 nan 8.230 nan 0.000 0.646 362 P HA 0.342 nan 4.420 nan 0.000 0.265 362 P C -0.599 176.682 177.300 -0.032 0.000 1.193 362 P CA 0.980 63.986 63.100 -0.158 0.000 0.765 362 P CB 0.564 32.206 31.700 -0.098 0.000 0.823 363 F N 0.332 120.221 119.950 -0.102 0.000 2.629 363 F HA 0.697 5.224 4.527 0.000 0.000 0.316 363 F C -0.594 175.101 175.800 -0.175 0.000 1.081 363 F CA -1.217 56.708 58.000 -0.125 0.000 0.954 363 F CB 1.577 40.343 39.000 -0.389 0.000 1.337 363 F HN 0.367 nan 8.300 nan 0.000 0.474 364 N N -0.339 118.433 118.700 0.120 0.000 2.610 364 N HA 0.728 5.468 4.740 0.000 0.000 0.264 364 N C -1.244 174.171 175.510 -0.159 0.000 1.348 364 N CA -0.387 52.654 53.050 -0.016 0.000 0.819 364 N CB 1.927 40.449 38.487 0.060 0.000 1.521 364 N HN 1.078 nan 8.380 nan 0.000 0.497 365 G N -0.881 107.787 108.800 -0.220 0.000 3.214 365 G HA2 0.688 4.648 3.960 0.000 0.000 0.188 365 G HA3 0.688 4.648 3.960 0.000 0.000 0.188 365 G C -1.789 173.020 174.900 -0.151 0.000 1.126 365 G CA -0.691 44.181 45.100 -0.381 0.000 0.796 365 G HN 0.698 nan 8.290 nan 0.000 0.631 366 W N -1.637 119.644 121.300 -0.030 0.000 2.902 366 W HA 0.813 5.473 4.660 0.000 0.000 0.346 366 W C -1.420 175.072 176.519 -0.046 0.000 1.139 366 W CA -2.279 55.066 57.345 0.001 0.000 1.139 366 W CB 0.330 29.828 29.460 0.064 0.000 1.439 366 W HN 0.428 nan 8.180 nan 0.000 0.558 367 Y N 2.307 122.767 120.300 0.267 0.000 2.457 367 Y HA 0.226 4.776 4.550 0.000 0.000 0.341 367 Y C 0.755 176.677 175.900 0.037 0.000 1.240 367 Y CA -0.221 57.906 58.100 0.045 0.000 1.437 367 Y CB 0.946 39.309 38.460 -0.163 0.000 1.328 367 Y HN 0.439 nan 8.280 nan 0.000 0.588 368 M N 2.271 121.990 119.600 0.199 0.000 2.167 368 M HA 0.348 4.828 4.480 0.000 0.000 0.333 368 M C 1.066 177.342 176.300 -0.040 0.000 1.030 368 M CA -0.208 55.140 55.300 0.081 0.000 0.963 368 M CB 1.308 33.940 32.600 0.053 0.000 1.589 368 M HN 0.854 nan 8.290 nan 0.000 0.431 369 G N 1.914 110.644 108.800 -0.117 0.000 2.656 369 G HA2 -0.354 3.606 3.960 0.000 0.000 0.223 369 G HA3 -0.354 3.606 3.960 0.000 0.000 0.223 369 G C 1.096 175.841 174.900 -0.260 0.000 1.130 369 G CA 2.028 46.995 45.100 -0.221 0.000 0.758 369 G HN 0.864 nan 8.290 nan 0.000 0.608 370 T N -1.092 113.316 114.554 -0.244 0.000 2.962 370 T HA 0.017 4.367 4.350 0.000 0.000 0.270 370 T C 1.910 176.435 174.700 -0.291 0.000 1.088 370 T CA 1.547 63.453 62.100 -0.324 0.000 1.127 370 T CB -0.194 68.403 68.868 -0.451 0.000 0.883 370 T HN 0.552 nan 8.240 nan 0.000 0.493 371 E N 1.014 121.073 120.200 -0.236 0.000 2.051 371 E HA -0.047 4.303 4.350 0.000 0.000 0.192 371 E C 2.100 178.452 176.600 -0.413 0.000 0.991 371 E CA 1.437 57.715 56.400 -0.203 0.000 0.799 371 E CB -0.279 29.445 29.700 0.040 0.000 0.748 371 E HN 0.570 nan 8.360 nan 0.000 0.449 372 I N 0.438 120.614 120.570 -0.657 0.000 2.206 372 I HA -0.082 4.088 4.170 0.000 0.000 0.239 372 I C 2.645 178.210 176.117 -0.921 0.000 1.078 372 I CA 0.968 61.581 61.300 -1.144 0.000 1.367 372 I CB -0.662 36.526 38.000 -1.352 0.000 1.078 372 I HN 0.131 nan 8.210 nan 0.000 0.413 373 G N 0.622 109.106 108.800 -0.526 0.000 2.442 373 G HA2 -0.159 3.802 3.960 0.000 0.000 0.219 373 G HA3 -0.159 3.802 3.960 0.000 0.000 0.219 373 G C 1.565 176.397 174.900 -0.113 0.000 1.141 373 G CA 1.347 46.330 45.100 -0.195 0.000 0.763 373 G HN 0.269 nan 8.290 nan 0.000 0.554 374 V N -0.348 119.444 119.914 -0.204 0.000 2.627 374 V HA 0.132 4.252 4.120 0.000 0.000 0.239 374 V C 2.710 178.727 176.094 -0.129 0.000 1.077 374 V CA 0.656 62.871 62.300 -0.143 0.000 1.103 374 V CB -0.179 31.529 31.823 -0.191 0.000 0.802 374 V HN 0.077 nan 8.190 nan 0.000 0.482 375 R N 0.893 121.279 120.500 -0.190 0.000 2.051 375 R HA -0.029 4.311 4.340 0.000 0.000 0.225 375 R C 1.987 178.219 176.300 -0.112 0.000 1.155 375 R CA 1.572 57.587 56.100 -0.142 0.000 0.945 375 R CB -1.115 29.088 30.300 -0.161 0.000 0.840 375 R HN 0.465 nan 8.270 nan 0.000 0.432 376 D N 0.375 120.609 120.400 -0.277 0.000 2.104 376 D HA -0.138 4.502 4.640 0.000 0.000 0.194 376 D C 1.873 178.143 176.300 -0.049 0.000 0.994 376 D CA 1.188 54.996 54.000 -0.320 0.000 0.830 376 D CB -0.197 39.927 40.800 -1.126 0.000 0.959 376 D HN 0.096 nan 8.370 nan 0.000 0.452 377 F N 0.134 119.975 119.950 -0.182 0.000 2.335 377 F HA 0.038 4.565 4.527 0.000 0.000 0.296 377 F C 2.319 178.162 175.800 0.072 0.000 1.091 377 F CA -0.185 57.809 58.000 -0.009 0.000 1.399 377 F CB -0.513 38.464 39.000 -0.038 0.000 1.067 377 F HN 0.032 nan 8.300 nan 0.000 0.520 378 C N -1.254 118.167 119.300 0.202 0.000 3.070 378 C HA 0.212 4.672 4.460 0.000 0.000 0.280 378 C C 0.444 175.488 174.990 0.090 0.000 1.264 378 C CA -0.699 58.399 59.018 0.134 0.000 1.690 378 C CB -0.651 27.136 27.740 0.077 0.000 2.049 378 C HN 0.054 nan 8.230 nan 0.000 0.636 379 D N 1.335 121.785 120.400 0.083 0.000 2.443 379 D HA 0.080 4.720 4.640 0.000 0.000 0.239 379 D C 1.319 177.674 176.300 0.093 0.000 1.136 379 D CA 0.604 54.645 54.000 0.068 0.000 0.879 379 D CB 0.977 41.818 40.800 0.068 0.000 1.195 379 D HN 0.090 nan 8.370 nan 0.000 0.443 380 T N 1.164 115.762 114.554 0.074 0.000 2.635 380 T HA -0.217 4.133 4.350 0.000 0.000 0.267 380 T C 1.521 176.265 174.700 0.074 0.000 1.040 380 T CA 1.322 63.466 62.100 0.073 0.000 1.156 380 T CB -0.084 68.821 68.868 0.061 0.000 0.863 380 T HN 0.508 nan 8.240 nan 0.000 0.430 381 Q N 1.039 120.886 119.800 0.079 0.000 2.387 381 Q HA 0.069 4.409 4.340 0.000 0.000 0.211 381 Q C 0.819 176.871 176.000 0.086 0.000 0.952 381 Q CA 0.360 56.209 55.803 0.076 0.000 0.957 381 Q CB 0.073 28.865 28.738 0.090 0.000 1.002 381 Q HN 0.326 nan 8.270 nan 0.000 0.502 382 R N -0.583 119.981 120.500 0.107 0.000 2.721 382 R HA 0.238 4.578 4.340 0.000 0.000 0.104 382 R C 1.207 177.562 176.300 0.092 0.000 1.052 382 R CA -0.339 55.852 56.100 0.152 0.000 0.852 382 R CB -1.035 29.424 30.300 0.265 0.000 0.799 382 R HN 0.093 nan 8.270 nan 0.000 0.373 383 Y N 1.689 122.129 120.300 0.234 0.000 2.561 383 Y HA -0.004 4.546 4.550 0.000 0.000 0.291 383 Y C 0.567 176.561 175.900 0.156 0.000 1.141 383 Y CA 0.494 58.733 58.100 0.233 0.000 1.303 383 Y CB -0.415 38.283 38.460 0.397 0.000 1.015 383 Y HN 0.477 nan 8.280 nan 0.000 0.547 384 N N 1.229 120.075 118.700 0.242 0.000 2.700 384 N HA -0.240 4.500 4.740 0.000 0.000 0.265 384 N C 0.399 176.001 175.510 0.154 0.000 0.975 384 N CA 0.808 53.957 53.050 0.164 0.000 0.800 384 N CB -1.204 37.347 38.487 0.108 0.000 0.908 384 N HN 0.667 nan 8.380 nan 0.000 0.551 385 I N -2.954 117.719 120.570 0.172 0.000 3.793 385 I HA 0.091 4.261 4.170 0.000 0.000 0.315 385 I C 1.626 177.823 176.117 0.134 0.000 1.275 385 I CA -0.392 60.978 61.300 0.117 0.000 1.214 385 I CB -0.109 37.916 38.000 0.042 0.000 1.018 385 I HN 0.221 nan 8.210 nan 0.000 0.439 386 L N 1.365 122.685 121.223 0.161 0.000 1.971 386 L HA -0.231 4.109 4.340 0.000 0.000 0.215 386 L C 2.728 179.794 176.870 0.327 0.000 1.072 386 L CA 2.228 57.193 54.840 0.208 0.000 0.758 386 L CB -0.368 41.774 42.059 0.139 0.000 0.889 386 L HN 0.464 nan 8.230 nan 0.000 0.433 387 E N -0.307 120.075 120.200 0.302 0.000 2.118 387 E HA -0.310 4.040 4.350 0.000 0.000 0.195 387 E C 1.962 178.574 176.600 0.020 0.000 0.992 387 E CA 1.474 57.991 56.400 0.196 0.000 0.804 387 E CB 0.108 29.865 29.700 0.096 0.000 0.741 387 E HN 0.336 nan 8.360 nan 0.000 0.458 388 E N 0.120 120.337 120.200 0.029 0.000 2.058 388 E HA -0.158 4.192 4.350 0.000 0.000 0.194 388 E C 1.935 178.500 176.600 -0.058 0.000 0.997 388 E CA 1.542 57.919 56.400 -0.038 0.000 0.801 388 E CB -0.243 29.447 29.700 -0.017 0.000 0.746 388 E HN 0.164 nan 8.360 nan 0.000 0.450 389 V N 0.271 120.220 119.914 0.058 0.000 2.515 389 V HA -0.105 4.015 4.120 0.000 0.000 0.250 389 V C 2.252 178.378 176.094 0.054 0.000 1.058 389 V CA 1.651 64.034 62.300 0.139 0.000 1.064 389 V CB -0.972 31.035 31.823 0.308 0.000 0.675 389 V HN 0.474 nan 8.190 nan 0.000 0.461 390 G N 0.156 109.018 108.800 0.104 0.000 2.433 390 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 390 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 390 G C 1.738 176.519 174.900 -0.198 0.000 1.186 390 G CA 0.677 45.815 45.100 0.064 0.000 0.779 390 G HN 0.412 nan 8.290 nan 0.000 0.543 391 R N -0.110 120.218 120.500 -0.287 0.000 2.080 391 R HA -0.029 4.311 4.340 0.000 0.000 0.236 391 R C 2.790 178.845 176.300 -0.408 0.000 1.137 391 R CA 1.110 57.010 56.100 -0.334 0.000 0.943 391 R CB -0.350 29.772 30.300 -0.297 0.000 0.846 391 R HN 0.173 nan 8.270 nan 0.000 0.431 392 R N 0.549 120.709 120.500 -0.567 0.000 2.117 392 R HA -0.116 4.224 4.340 0.000 0.000 0.243 392 R C 2.067 177.773 176.300 -0.990 0.000 1.143 392 R CA 1.448 56.899 56.100 -1.082 0.000 0.968 392 R CB -0.381 28.753 30.300 -1.943 0.000 0.863 392 R HN 0.356 nan 8.270 nan 0.000 0.444 393 M N -0.521 118.739 119.600 -0.567 0.000 2.659 393 M HA 0.079 4.559 4.480 0.000 0.000 0.243 393 M C 0.783 176.979 176.300 -0.174 0.000 1.111 393 M CA 0.787 55.918 55.300 -0.281 0.000 1.070 393 M CB 0.265 32.805 32.600 -0.100 0.000 1.525 393 M HN 0.376 nan 8.290 nan 0.000 0.517 394 G N 1.422 110.081 108.800 -0.235 0.000 2.221 394 G HA2 -0.212 3.748 3.960 0.000 0.000 0.265 394 G HA3 -0.212 3.748 3.960 0.000 0.000 0.265 394 G C -0.258 174.568 174.900 -0.123 0.000 1.041 394 G CA -0.309 44.690 45.100 -0.169 0.000 0.807 394 G HN 0.248 nan 8.290 nan 0.000 0.502 395 L N -0.168 120.974 121.223 -0.134 0.000 2.439 395 L HA 0.427 4.767 4.340 0.000 0.000 0.259 395 L C 1.080 177.814 176.870 -0.226 0.000 1.129 395 L CA -0.606 54.178 54.840 -0.093 0.000 0.803 395 L CB 0.468 42.548 42.059 0.034 0.000 1.161 395 L HN 0.326 nan 8.230 nan 0.000 0.462 396 E N -0.133 119.965 120.200 -0.170 0.000 1.972 396 E HA 0.036 4.386 4.350 0.000 0.000 0.292 396 E C 0.595 176.865 176.600 -0.550 0.000 1.193 396 E CA 0.079 56.342 56.400 -0.227 0.000 1.228 396 E CB -0.180 29.486 29.700 -0.056 0.000 1.167 396 E HN 0.656 nan 8.360 nan 0.000 0.479 397 T N -1.777 112.178 114.554 -0.999 0.000 3.155 397 T HA -0.128 4.222 4.350 0.000 0.000 0.264 397 T C 0.972 175.029 174.700 -1.072 0.000 1.160 397 T CA 0.681 61.642 62.100 -1.900 0.000 1.075 397 T CB -0.075 67.748 68.868 -1.742 0.000 0.921 397 T HN 0.390 nan 8.240 nan 0.000 0.533 398 H N 0.369 119.206 119.070 -0.389 0.000 2.652 398 H HA 0.272 4.828 4.556 0.000 0.000 0.274 398 H C 0.007 175.325 175.328 -0.017 0.000 1.021 398 H CA 0.100 56.061 56.048 -0.144 0.000 1.187 398 H CB 0.744 30.433 29.762 -0.122 0.000 1.505 398 H HN 0.372 nan 8.280 nan 0.000 0.530 399 T N 2.185 116.805 114.554 0.110 0.000 2.977 399 T HA 0.093 4.443 4.350 0.000 0.000 0.346 399 T C 1.232 176.100 174.700 0.280 0.000 1.140 399 T CA -0.355 61.841 62.100 0.160 0.000 1.040 399 T CB 1.578 70.511 68.868 0.110 0.000 1.046 399 T HN -0.059 nan 8.240 nan 0.000 0.494 400 L N 3.229 124.619 121.223 0.278 0.000 2.021 400 L HA -0.114 4.226 4.340 0.000 0.000 0.215 400 L C 2.490 179.460 176.870 0.167 0.000 1.074 400 L CA 2.121 57.118 54.840 0.262 0.000 0.760 400 L CB -0.751 41.404 42.059 0.159 0.000 0.889 400 L HN 0.755 nan 8.230 nan 0.000 0.433 401 A N -1.620 121.277 122.820 0.129 0.000 2.225 401 A HA -0.133 4.187 4.320 0.000 0.000 0.215 401 A C 2.333 179.978 177.584 0.102 0.000 1.164 401 A CA 1.319 53.409 52.037 0.089 0.000 0.710 401 A CB -0.850 18.192 19.000 0.070 0.000 0.780 401 A HN 0.642 nan 8.150 nan 0.000 0.473 402 S N -0.490 115.308 115.700 0.164 0.000 2.481 402 S HA 0.069 4.539 4.470 0.000 0.000 0.231 402 S C 0.894 175.588 174.600 0.157 0.000 0.996 402 S CA 0.688 58.990 58.200 0.169 0.000 0.942 402 S CB -0.730 62.601 63.200 0.218 0.000 0.768 402 S HN 0.874 nan 8.310 nan 0.000 0.520 403 L N 0.438 121.729 121.223 0.114 0.000 3.865 403 L HA -0.164 4.176 4.340 0.000 0.000 0.408 403 L C 1.568 178.443 176.870 0.008 0.000 1.209 403 L CA 0.700 55.540 54.840 0.000 0.000 0.940 403 L CB -2.606 39.461 42.059 0.013 0.000 1.971 403 L HN 0.742 nan 8.230 nan 0.000 0.899 404 W N 0.096 121.403 121.300 0.012 0.000 2.402 404 W HA -0.115 4.545 4.660 0.000 0.000 0.286 404 W C 1.695 178.223 176.519 0.015 0.000 1.221 404 W CA 1.218 58.567 57.345 0.007 0.000 1.257 404 W CB -0.723 28.728 29.460 -0.015 0.000 1.120 404 W HN 0.265 nan 8.180 nan 0.000 0.551 405 K N 1.078 120.881 120.400 -0.995 0.000 2.097 405 K HA -0.170 4.151 4.320 0.000 0.000 0.206 405 K C 1.449 177.851 176.600 -0.329 0.000 1.049 405 K CA 2.328 58.069 56.287 -0.909 0.000 0.933 405 K CB -0.346 31.540 32.500 -1.023 0.000 0.717 405 K HN 0.103 nan 8.250 nan 0.000 0.442 406 D N -0.035 120.235 120.400 -0.217 0.000 2.178 406 D HA -0.075 4.565 4.640 0.000 0.000 0.202 406 D C 1.878 178.171 176.300 -0.010 0.000 0.974 406 D CA 0.861 54.807 54.000 -0.089 0.000 0.841 406 D CB 0.129 40.894 40.800 -0.058 0.000 0.953 406 D HN 0.095 nan 8.370 nan 0.000 0.478 407 R N 0.405 120.923 120.500 0.030 0.000 2.073 407 R HA 0.081 4.421 4.340 0.000 0.000 0.229 407 R C 2.225 178.600 176.300 0.125 0.000 1.120 407 R CA 1.042 57.200 56.100 0.096 0.000 0.967 407 R CB -0.147 30.234 30.300 0.135 0.000 0.862 407 R HN 0.119 nan 8.270 nan 0.000 0.436 408 A N 0.543 123.442 122.820 0.132 0.000 1.855 408 A HA -0.127 4.193 4.320 0.000 0.000 0.215 408 A C 2.232 179.901 177.584 0.141 0.000 1.191 408 A CA 1.392 53.533 52.037 0.174 0.000 0.613 408 A CB -0.924 18.216 19.000 0.234 0.000 0.829 408 A HN 0.195 nan 8.150 nan 0.000 0.442 409 V N -0.025 119.930 119.914 0.067 0.000 2.453 409 V HA -0.232 3.888 4.120 0.000 0.000 0.252 409 V C 2.523 178.656 176.094 0.065 0.000 1.068 409 V CA 2.990 65.322 62.300 0.053 0.000 1.070 409 V CB -0.848 30.964 31.823 -0.018 0.000 0.664 409 V HN 0.646 nan 8.190 nan 0.000 0.461 410 T N -0.381 114.216 114.554 0.072 0.000 2.777 410 T HA -0.108 4.242 4.350 0.000 0.000 0.266 410 T C 1.798 176.566 174.700 0.113 0.000 1.040 410 T CA 1.413 63.566 62.100 0.087 0.000 1.141 410 T CB -0.221 68.702 68.868 0.092 0.000 0.868 410 T HN 0.500 nan 8.240 nan 0.000 0.444 411 E N 1.037 121.332 120.200 0.158 0.000 2.110 411 E HA -0.008 4.342 4.350 0.000 0.000 0.193 411 E C 2.200 178.872 176.600 0.120 0.000 0.988 411 E CA 0.697 57.229 56.400 0.220 0.000 0.804 411 E CB -0.421 29.440 29.700 0.268 0.000 0.745 411 E HN 0.527 nan 8.360 nan 0.000 0.458 412 I N 1.469 122.116 120.570 0.128 0.000 2.179 412 I HA -0.271 3.899 4.170 0.000 0.000 0.242 412 I C 2.078 178.238 176.117 0.071 0.000 1.088 412 I CA 0.873 62.256 61.300 0.137 0.000 1.357 412 I CB -0.352 37.811 38.000 0.272 0.000 1.051 412 I HN 0.045 nan 8.210 nan 0.000 0.409 413 N N 0.672 119.404 118.700 0.055 0.000 2.149 413 N HA -0.140 4.600 4.740 0.000 0.000 0.188 413 N C 1.916 177.425 175.510 -0.001 0.000 1.019 413 N CA 1.162 54.218 53.050 0.010 0.000 0.857 413 N CB -0.309 38.183 38.487 0.008 0.000 0.997 413 N HN 0.158 nan 8.380 nan 0.000 0.426 414 V N 1.463 121.372 119.914 -0.008 0.000 2.343 414 V HA -0.201 3.919 4.120 0.000 0.000 0.247 414 V C 2.409 178.414 176.094 -0.148 0.000 1.051 414 V CA 1.741 63.996 62.300 -0.075 0.000 1.036 414 V CB -0.889 30.874 31.823 -0.100 0.000 0.654 414 V HN 0.288 nan 8.190 nan 0.000 0.451 415 A N -0.109 122.583 122.820 -0.213 0.000 1.865 415 A HA -0.179 4.142 4.320 0.000 0.000 0.217 415 A C 2.406 179.994 177.584 0.007 0.000 1.191 415 A CA 2.237 54.119 52.037 -0.259 0.000 0.623 415 A CB -0.795 17.790 19.000 -0.692 0.000 0.826 415 A HN 0.319 nan 8.150 nan 0.000 0.444 416 V N 0.185 120.135 119.914 0.060 0.000 2.231 416 V HA -0.267 3.853 4.120 0.000 0.000 0.248 416 V C 2.560 178.720 176.094 0.110 0.000 1.054 416 V CA 1.959 64.330 62.300 0.118 0.000 1.015 416 V CB -0.837 30.973 31.823 -0.020 0.000 0.638 416 V HN 0.488 nan 8.190 nan 0.000 0.444 417 L N -0.232 121.002 121.223 0.018 0.000 2.012 417 L HA -0.214 4.126 4.340 0.000 0.000 0.210 417 L C 2.477 179.386 176.870 0.065 0.000 1.073 417 L CA 2.359 57.208 54.840 0.015 0.000 0.748 417 L CB -1.978 40.083 42.059 0.003 0.000 0.891 417 L HN 0.565 nan 8.230 nan 0.000 0.431 418 H N -0.470 118.574 119.070 -0.043 0.000 2.319 418 H HA -0.144 4.412 4.556 0.000 0.000 0.297 418 H C 2.130 177.454 175.328 -0.008 0.000 1.097 418 H CA 1.956 57.964 56.048 -0.067 0.000 1.285 418 H CB 0.516 30.172 29.762 -0.177 0.000 1.368 418 H HN 0.269 nan 8.280 nan 0.000 0.495 419 S N 0.124 115.778 115.700 -0.077 0.000 2.355 419 S HA -0.109 4.361 4.470 0.000 0.000 0.222 419 S C 2.001 176.572 174.600 -0.049 0.000 1.031 419 S CA 1.139 59.286 58.200 -0.088 0.000 0.993 419 S CB -0.515 62.727 63.200 0.070 0.000 0.859 419 S HN 0.290 nan 8.310 nan 0.000 0.453 420 F N 2.075 121.967 119.950 -0.097 0.000 2.134 420 F HA -0.135 4.392 4.527 0.000 0.000 0.299 420 F C 2.659 178.400 175.800 -0.099 0.000 1.097 420 F CA 1.265 59.222 58.000 -0.071 0.000 1.264 420 F CB -0.583 38.391 39.000 -0.044 0.000 1.001 420 F HN 0.213 nan 8.300 nan 0.000 0.479 421 Q N -0.088 119.753 119.800 0.068 0.000 2.020 421 Q HA -0.258 4.082 4.340 0.000 0.000 0.202 421 Q C 2.245 178.187 176.000 -0.097 0.000 0.982 421 Q CA 1.899 57.687 55.803 -0.026 0.000 0.838 421 Q CB -0.332 28.375 28.738 -0.051 0.000 0.899 421 Q HN 0.312 nan 8.270 nan 0.000 0.423 422 K N 0.873 121.150 120.400 -0.205 0.000 2.044 422 K HA -0.221 4.099 4.320 0.000 0.000 0.210 422 K C 1.452 177.971 176.600 -0.136 0.000 1.049 422 K CA 1.591 57.747 56.287 -0.219 0.000 0.927 422 K CB 0.082 32.357 32.500 -0.374 0.000 0.713 422 K HN 0.174 nan 8.250 nan 0.000 0.443 423 Q N 0.502 120.223 119.800 -0.133 0.000 2.282 423 Q HA 0.093 4.433 4.340 0.000 0.000 0.205 423 Q C -0.688 175.257 176.000 -0.091 0.000 0.915 423 Q CA -0.211 55.523 55.803 -0.115 0.000 0.949 423 Q CB 0.335 28.982 28.738 -0.151 0.000 1.035 423 Q HN 0.314 nan 8.270 nan 0.000 0.484 424 N N -0.039 118.621 118.700 -0.067 0.000 2.716 424 N HA -0.156 4.584 4.740 0.000 0.000 0.250 424 N C -1.288 174.207 175.510 -0.025 0.000 1.033 424 N CA 0.619 53.643 53.050 -0.044 0.000 0.727 424 N CB -1.293 37.167 38.487 -0.046 0.000 0.950 424 N HN 0.044 nan 8.380 nan 0.000 0.541 425 V N 0.901 120.819 119.914 0.007 0.000 2.384 425 V HA 0.210 4.330 4.120 0.000 0.000 0.287 425 V C 0.855 177.091 176.094 0.237 0.000 1.020 425 V CA -0.668 61.679 62.300 0.078 0.000 0.850 425 V CB 1.902 33.684 31.823 -0.068 0.000 0.987 425 V HN 0.196 nan 8.190 nan 0.000 0.436 426 T N 6.623 121.249 114.554 0.119 0.000 2.891 426 T HA 0.329 4.679 4.350 0.000 0.000 0.296 426 T C -0.216 174.531 174.700 0.078 0.000 1.025 426 T CA 0.999 63.087 62.100 -0.019 0.000 1.149 426 T CB 0.038 68.776 68.868 -0.216 0.000 1.007 426 T HN 0.593 nan 8.240 nan 0.000 0.528 427 I N 2.295 122.816 120.570 -0.081 0.000 2.842 427 I HA 0.537 4.707 4.170 0.000 0.000 0.296 427 I C -1.695 174.374 176.117 -0.081 0.000 1.538 427 I CA -1.015 60.223 61.300 -0.103 0.000 0.994 427 I CB 2.015 39.799 38.000 -0.360 0.000 1.372 427 I HN 0.654 nan 8.210 nan 0.000 0.478 428 M N 5.197 124.808 119.600 0.018 0.000 2.327 428 M HA 0.381 4.861 4.480 0.000 0.000 0.298 428 M C -1.545 174.790 176.300 0.057 0.000 1.065 428 M CA -0.519 54.815 55.300 0.057 0.000 0.916 428 M CB 1.713 34.420 32.600 0.179 0.000 1.630 428 M HN 0.639 nan 8.290 nan 0.000 0.442 429 D N 2.330 122.762 120.400 0.054 0.000 2.368 429 D HA 0.022 4.663 4.640 0.000 0.000 0.240 429 D C 1.169 177.533 176.300 0.107 0.000 1.169 429 D CA 0.048 54.107 54.000 0.099 0.000 0.906 429 D CB 0.545 41.397 40.800 0.088 0.000 1.187 429 D HN 0.693 nan 8.370 nan 0.000 0.435 430 H N 0.337 119.361 119.070 -0.077 0.000 2.457 430 H HA -0.133 4.423 4.556 0.000 0.000 0.294 430 H C 1.123 176.361 175.328 -0.149 0.000 1.064 430 H CA 1.390 57.350 56.048 -0.145 0.000 1.330 430 H CB -0.678 28.938 29.762 -0.244 0.000 1.395 430 H HN 0.552 nan 8.280 nan 0.000 0.541 431 H N 0.984 119.837 119.070 -0.362 0.000 2.326 431 H HA -0.085 4.471 4.556 0.000 0.000 0.301 431 H C 2.395 177.682 175.328 -0.069 0.000 1.081 431 H CA 2.364 58.273 56.048 -0.232 0.000 1.334 431 H CB -0.283 29.314 29.762 -0.274 0.000 1.385 431 H HN 0.591 nan 8.280 nan 0.000 0.504 432 T N -0.912 113.692 114.554 0.083 0.000 3.023 432 T HA 0.125 4.476 4.350 0.000 0.000 0.266 432 T C 2.206 176.965 174.700 0.098 0.000 1.093 432 T CA 0.797 62.944 62.100 0.079 0.000 1.129 432 T CB -0.196 68.709 68.868 0.061 0.000 0.899 432 T HN 0.301 nan 8.240 nan 0.000 0.491 433 A N 1.382 124.260 122.820 0.097 0.000 1.898 433 A HA 0.085 4.405 4.320 0.000 0.000 0.216 433 A C 2.721 180.389 177.584 0.140 0.000 1.181 433 A CA 1.725 53.838 52.037 0.127 0.000 0.620 433 A CB -1.012 18.055 19.000 0.111 0.000 0.819 433 A HN 0.546 nan 8.150 nan 0.000 0.442 434 S N -0.087 115.675 115.700 0.104 0.000 2.368 434 S HA -0.148 4.322 4.470 0.000 0.000 0.224 434 S C 1.823 176.532 174.600 0.182 0.000 1.029 434 S CA 1.460 59.738 58.200 0.131 0.000 0.988 434 S CB -0.316 62.927 63.200 0.071 0.000 0.838 434 S HN 0.699 nan 8.310 nan 0.000 0.462 435 E N 0.911 121.194 120.200 0.138 0.000 2.110 435 E HA -0.110 4.240 4.350 0.000 0.000 0.193 435 E C 2.202 178.880 176.600 0.130 0.000 0.988 435 E CA 1.043 57.517 56.400 0.122 0.000 0.804 435 E CB -0.244 29.509 29.700 0.089 0.000 0.745 435 E HN 0.389 nan 8.360 nan 0.000 0.458 436 S N 0.552 116.341 115.700 0.147 0.000 2.359 436 S HA -0.199 4.271 4.470 0.000 0.000 0.224 436 S C 1.750 176.461 174.600 0.184 0.000 1.035 436 S CA 1.096 59.387 58.200 0.152 0.000 1.018 436 S CB -0.298 63.002 63.200 0.167 0.000 0.876 436 S HN 0.339 nan 8.310 nan 0.000 0.448 437 F N 1.648 121.657 119.950 0.097 0.000 2.186 437 F HA 0.010 4.537 4.527 0.000 0.000 0.299 437 F C 2.142 178.024 175.800 0.135 0.000 1.090 437 F CA 1.393 59.467 58.000 0.124 0.000 1.307 437 F CB -0.294 38.757 39.000 0.085 0.000 1.019 437 F HN 0.191 nan 8.300 nan 0.000 0.489 438 M N 0.229 119.903 119.600 0.124 0.000 2.086 438 M HA -0.206 4.274 4.480 0.000 0.000 0.261 438 M C 2.271 178.530 176.300 -0.068 0.000 1.067 438 M CA 1.692 57.007 55.300 0.025 0.000 1.116 438 M CB -1.235 31.426 32.600 0.102 0.000 1.348 438 M HN 0.077 nan 8.290 nan 0.000 0.407 439 K N -0.246 120.149 120.400 -0.008 0.000 2.032 439 K HA -0.229 4.091 4.320 0.000 0.000 0.209 439 K C 1.972 178.539 176.600 -0.054 0.000 1.048 439 K CA 1.990 58.270 56.287 -0.012 0.000 0.927 439 K CB -0.663 31.856 32.500 0.031 0.000 0.712 439 K HN 0.394 nan 8.250 nan 0.000 0.441 440 H N -0.088 118.885 119.070 -0.162 0.000 2.290 440 H HA -0.103 4.453 4.556 0.000 0.000 0.298 440 H C 2.034 177.190 175.328 -0.287 0.000 1.087 440 H CA 2.584 58.507 56.048 -0.210 0.000 1.291 440 H CB -0.285 29.319 29.762 -0.263 0.000 1.369 440 H HN 0.300 nan 8.280 nan 0.000 0.492 441 M N 0.318 119.536 119.600 -0.637 0.000 2.108 441 M HA -0.261 4.219 4.480 0.000 0.000 0.261 441 M C 2.441 178.620 176.300 -0.202 0.000 1.066 441 M CA 2.350 57.341 55.300 -0.515 0.000 1.107 441 M CB -0.171 32.159 32.600 -0.451 0.000 1.356 441 M HN 0.696 nan 8.290 nan 0.000 0.406 442 Q N -0.563 119.133 119.800 -0.172 0.000 2.119 442 Q HA -0.166 4.174 4.340 0.000 0.000 0.201 442 Q C 1.410 177.371 176.000 -0.064 0.000 0.972 442 Q CA 1.637 57.391 55.803 -0.082 0.000 0.847 442 Q CB -0.566 28.129 28.738 -0.072 0.000 0.903 442 Q HN 0.499 nan 8.270 nan 0.000 0.433 443 N N 0.930 119.551 118.700 -0.131 0.000 2.084 443 N HA -0.145 4.595 4.740 0.000 0.000 0.190 443 N C 1.685 177.102 175.510 -0.154 0.000 1.030 443 N CA 1.412 54.397 53.050 -0.109 0.000 0.849 443 N CB -0.213 38.223 38.487 -0.084 0.000 1.012 443 N HN 0.328 nan 8.380 nan 0.000 0.423 444 E N 0.420 120.434 120.200 -0.311 0.000 2.058 444 E HA -0.162 4.188 4.350 0.000 0.000 0.194 444 E C 1.968 178.432 176.600 -0.227 0.000 0.997 444 E CA 0.945 57.137 56.400 -0.346 0.000 0.801 444 E CB -0.476 28.915 29.700 -0.516 0.000 0.746 444 E HN 0.474 nan 8.360 nan 0.000 0.450 445 Y N 1.106 121.295 120.300 -0.185 0.000 2.145 445 Y HA -0.156 4.394 4.550 0.000 0.000 0.286 445 Y C 2.638 178.487 175.900 -0.085 0.000 1.145 445 Y CA 1.504 59.539 58.100 -0.109 0.000 1.148 445 Y CB -0.243 38.167 38.460 -0.083 0.000 0.981 445 Y HN -0.007 nan 8.280 nan 0.000 0.507 446 R N -0.298 120.235 120.500 0.055 0.000 2.082 446 R HA -0.220 4.120 4.340 0.000 0.000 0.234 446 R C 2.522 178.806 176.300 -0.027 0.000 1.136 446 R CA 1.356 57.465 56.100 0.014 0.000 0.935 446 R CB -0.977 29.325 30.300 0.004 0.000 0.842 446 R HN 0.350 nan 8.270 nan 0.000 0.430 447 A N 1.812 124.599 122.820 -0.054 0.000 1.873 447 A HA -0.224 4.096 4.320 0.000 0.000 0.218 447 A C 1.785 179.314 177.584 -0.091 0.000 1.193 447 A CA 2.101 54.097 52.037 -0.068 0.000 0.629 447 A CB -0.310 18.637 19.000 -0.088 0.000 0.826 447 A HN 0.535 nan 8.150 nan 0.000 0.447 448 R N -2.996 117.418 120.500 -0.143 0.000 2.563 448 R HA 0.423 4.763 4.340 0.000 0.000 0.443 448 R C 0.666 176.852 176.300 -0.191 0.000 0.956 448 R CA 0.334 56.344 56.100 -0.150 0.000 1.141 448 R CB -0.782 29.420 30.300 -0.163 0.000 1.553 448 R HN 0.999 nan 8.270 nan 0.000 0.577 449 G N 0.073 108.749 108.800 -0.207 0.000 2.295 449 G HA2 -0.019 3.941 3.960 0.000 0.000 0.287 449 G HA3 -0.019 3.941 3.960 0.000 0.000 0.287 449 G C 0.250 174.827 174.900 -0.539 0.000 1.055 449 G CA 0.235 45.189 45.100 -0.244 0.000 0.922 449 G HN 0.980 nan 8.290 nan 0.000 0.503 450 G N -2.551 105.617 108.800 -1.054 0.000 2.328 450 G HA2 0.559 4.519 3.960 0.000 0.000 0.299 450 G HA3 0.559 4.519 3.960 0.000 0.000 0.299 450 G C -0.827 173.610 174.900 -0.772 0.000 1.435 450 G CA 0.261 44.650 45.100 -1.185 0.000 0.865 450 G HN 1.941 nan 8.290 nan 0.000 0.601 451 C N 2.211 121.300 119.300 -0.352 0.000 3.080 451 C HA 0.576 5.036 4.460 0.000 0.000 0.388 451 C C -2.590 172.331 174.990 -0.115 0.000 1.079 451 C CA -1.026 57.898 59.018 -0.157 0.000 1.289 451 C CB 0.958 28.668 27.740 -0.050 0.000 1.702 451 C HN 0.704 nan 8.230 nan 0.000 0.516 452 P HA 0.354 nan 4.420 nan 0.000 0.266 452 P C -0.505 176.671 177.300 -0.206 0.000 1.215 452 P CA 0.770 63.437 63.100 -0.722 0.000 0.763 452 P CB 0.860 32.039 31.700 -0.868 0.000 0.806 453 A N 3.037 125.814 122.820 -0.073 0.000 2.422 453 A HA 0.428 4.748 4.320 0.000 0.000 0.302 453 A C -0.891 176.736 177.584 0.071 0.000 1.041 453 A CA -0.563 51.521 52.037 0.078 0.000 0.708 453 A CB 1.300 20.461 19.000 0.269 0.000 1.257 453 A HN 0.427 nan 8.150 nan 0.000 0.414 454 D N 2.045 122.475 120.400 0.050 0.000 2.467 454 D HA 0.136 4.776 4.640 0.000 0.000 0.220 454 D C 0.790 177.191 176.300 0.168 0.000 1.103 454 D CA -0.524 53.539 54.000 0.104 0.000 0.886 454 D CB 0.333 41.160 40.800 0.045 0.000 1.025 454 D HN 0.608 nan 8.370 nan 0.000 0.514 455 W N 4.608 125.919 121.300 0.019 0.000 2.304 455 W HA -0.233 4.427 4.660 0.000 0.000 0.315 455 W C 1.729 178.254 176.519 0.010 0.000 1.233 455 W CA 1.303 58.642 57.345 -0.010 0.000 1.261 455 W CB -0.104 29.333 29.460 -0.039 0.000 1.150 455 W HN 0.466 nan 8.180 nan 0.000 0.494 456 I N -1.020 119.802 120.570 0.420 0.000 2.335 456 I HA -0.308 3.862 4.170 0.000 0.000 0.251 456 I C 1.751 177.926 176.117 0.096 0.000 1.129 456 I CA 1.469 62.950 61.300 0.302 0.000 1.402 456 I CB -0.629 37.584 38.000 0.356 0.000 1.069 456 I HN 0.126 nan 8.210 nan 0.000 0.424 457 W N 0.139 121.384 121.300 -0.092 0.000 2.630 457 W HA 0.135 4.795 4.660 0.000 0.000 0.271 457 W C 2.244 178.625 176.519 -0.230 0.000 1.244 457 W CA 0.192 57.453 57.345 -0.140 0.000 1.353 457 W CB -0.347 29.052 29.460 -0.102 0.000 1.080 457 W HN -0.067 nan 8.180 nan 0.000 0.594 458 L N -0.177 120.981 121.223 -0.108 0.000 2.156 458 L HA -0.041 4.299 4.340 0.000 0.000 0.208 458 L C 0.651 177.294 176.870 -0.379 0.000 1.095 458 L CA 0.409 55.061 54.840 -0.313 0.000 0.770 458 L CB -0.905 40.866 42.059 -0.480 0.000 0.914 458 L HN -0.399 nan 8.230 nan 0.000 0.439 459 V N 1.532 121.140 119.914 -0.510 0.000 2.439 459 V HA 0.113 4.233 4.120 0.000 0.000 0.271 459 V C -1.807 174.081 176.094 -0.344 0.000 1.040 459 V CA -1.350 60.634 62.300 -0.527 0.000 1.002 459 V CB 0.281 31.544 31.823 -0.934 0.000 1.000 459 V HN 0.045 nan 8.190 nan 0.000 0.477 460 P HA 0.025 nan 4.420 nan 0.000 0.267 460 P C -1.698 175.470 177.300 -0.221 0.000 1.195 460 P CA -0.744 62.228 63.100 -0.213 0.000 0.773 460 P CB 0.076 31.698 31.700 -0.131 0.000 0.837 461 P HA -0.054 nan 4.420 nan 0.000 0.234 461 P C -0.053 177.144 177.300 -0.172 0.000 1.167 461 P CA 0.992 63.967 63.100 -0.208 0.000 0.763 461 P CB 0.139 31.704 31.700 -0.223 0.000 0.835 462 V N -5.264 114.534 119.914 -0.193 0.000 3.078 462 V HA 0.596 4.716 4.120 0.000 0.000 0.311 462 V C 0.217 176.273 176.094 -0.062 0.000 1.138 462 V CA -0.590 61.630 62.300 -0.133 0.000 1.007 462 V CB 1.345 33.074 31.823 -0.157 0.000 1.045 462 V HN 0.066 nan 8.190 nan 0.000 0.432 463 S N 0.290 115.983 115.700 -0.012 0.000 3.559 463 S HA -0.184 4.286 4.470 0.000 0.000 0.369 463 S C 1.341 175.924 174.600 -0.028 0.000 0.987 463 S CA 1.194 59.407 58.200 0.022 0.000 1.187 463 S CB -2.147 61.140 63.200 0.145 0.000 0.914 463 S HN 2.526 nan 8.310 nan 0.000 0.480 464 G N 2.669 111.424 108.800 -0.075 0.000 2.628 464 G HA2 -0.240 3.721 3.960 0.000 0.000 0.217 464 G HA3 -0.240 3.721 3.960 0.000 0.000 0.217 464 G C 1.577 176.324 174.900 -0.256 0.000 1.240 464 G CA 1.569 46.620 45.100 -0.082 0.000 0.792 464 G HN 1.752 nan 8.290 nan 0.000 0.593 465 S N 0.203 115.452 115.700 -0.753 0.000 2.555 465 S HA 0.074 4.544 4.470 0.000 0.000 0.230 465 S C 2.029 176.536 174.600 -0.154 0.000 0.978 465 S CA 0.491 58.082 58.200 -1.014 0.000 0.934 465 S CB -0.083 62.338 63.200 -1.298 0.000 0.766 465 S HN 0.184 nan 8.310 nan 0.000 0.533 466 I N 1.903 122.434 120.570 -0.064 0.000 2.928 466 I HA 0.056 4.226 4.170 0.000 0.000 0.266 466 I C 0.807 177.011 176.117 0.146 0.000 1.234 466 I CA 0.562 61.905 61.300 0.072 0.000 1.483 466 I CB -1.785 36.286 38.000 0.120 0.000 1.097 466 I HN 0.262 nan 8.210 nan 0.000 0.455 467 T N 3.819 118.442 114.554 0.116 0.000 2.882 467 T HA 0.189 4.539 4.350 0.000 0.000 0.287 467 T C -1.210 173.635 174.700 0.242 0.000 0.992 467 T CA -1.043 61.139 62.100 0.137 0.000 1.076 467 T CB 2.017 70.910 68.868 0.043 0.000 0.961 467 T HN 0.075 nan 8.240 nan 0.000 0.490 468 P HA -0.068 nan 4.420 nan 0.000 0.219 468 P C 1.722 179.210 177.300 0.314 0.000 1.150 468 P CA 0.883 64.164 63.100 0.302 0.000 0.814 468 P CB -0.190 31.626 31.700 0.194 0.000 0.787 469 V N -3.401 116.643 119.914 0.217 0.000 2.720 469 V HA -0.202 3.918 4.120 0.000 0.000 0.256 469 V C 2.292 178.477 176.094 0.152 0.000 1.082 469 V CA 1.313 63.716 62.300 0.171 0.000 1.101 469 V CB -2.201 29.645 31.823 0.040 0.000 0.693 469 V HN -0.117 nan 8.190 nan 0.000 0.479 470 F N 2.589 122.518 119.950 -0.035 0.000 2.171 470 F HA -0.094 4.434 4.527 0.000 0.000 0.300 470 F C 2.062 177.950 175.800 0.146 0.000 1.090 470 F CA 2.250 60.243 58.000 -0.012 0.000 1.293 470 F CB -0.424 38.435 39.000 -0.234 0.000 1.013 470 F HN 0.345 nan 8.300 nan 0.000 0.486 471 H N -1.382 118.001 119.070 0.522 0.000 2.533 471 H HA 0.160 4.716 4.556 0.000 0.000 0.271 471 H C 0.215 175.668 175.328 0.209 0.000 1.000 471 H CA 0.131 56.387 56.048 0.347 0.000 1.149 471 H CB -0.175 29.769 29.762 0.303 0.000 1.375 471 H HN 0.156 nan 8.280 nan 0.000 0.582 472 Q N 1.827 121.812 119.800 0.309 0.000 2.290 472 Q HA 0.166 4.506 4.340 0.000 0.000 0.259 472 Q C -0.715 175.406 176.000 0.202 0.000 0.941 472 Q CA -0.494 55.445 55.803 0.227 0.000 0.912 472 Q CB 0.792 29.671 28.738 0.234 0.000 1.244 472 Q HN 0.341 nan 8.270 nan 0.000 0.441 473 E N 3.663 123.921 120.200 0.095 0.000 2.331 473 E HA 0.362 4.712 4.350 0.000 0.000 0.272 473 E C -0.588 176.077 176.600 0.109 0.000 1.036 473 E CA 0.010 56.437 56.400 0.045 0.000 0.864 473 E CB 0.972 30.673 29.700 0.003 0.000 1.035 473 E HN 0.600 nan 8.360 nan 0.000 0.408 474 M N 2.225 121.905 119.600 0.133 0.000 2.501 474 M HA 0.337 4.817 4.480 0.000 0.000 0.293 474 M C -1.333 175.071 176.300 0.174 0.000 1.192 474 M CA -1.053 54.361 55.300 0.190 0.000 0.886 474 M CB 1.670 34.423 32.600 0.255 0.000 1.710 474 M HN 0.181 nan 8.290 nan 0.000 0.457 475 L N 2.476 123.836 121.223 0.228 0.000 2.282 475 L HA 0.451 4.791 4.340 0.000 0.000 0.288 475 L C -0.512 176.469 176.870 0.185 0.000 1.033 475 L CA -0.070 54.933 54.840 0.271 0.000 0.807 475 L CB 1.110 43.427 42.059 0.429 0.000 1.209 475 L HN 0.598 nan 8.230 nan 0.000 0.423 476 N N 3.640 122.432 118.700 0.153 0.000 2.558 476 N HA 0.395 5.135 4.740 0.000 0.000 0.242 476 N C -1.541 174.004 175.510 0.058 0.000 0.979 476 N CA -0.342 52.710 53.050 0.003 0.000 0.931 476 N CB 0.303 38.810 38.487 0.033 0.000 1.122 476 N HN 0.350 nan 8.380 nan 0.000 0.508 477 Y N 0.089 120.379 120.300 -0.017 0.000 2.570 477 Y HA 0.665 5.215 4.550 0.000 0.000 0.345 477 Y C -0.579 175.237 175.900 -0.140 0.000 1.014 477 Y CA -1.540 56.517 58.100 -0.072 0.000 1.063 477 Y CB 0.714 39.135 38.460 -0.064 0.000 1.272 477 Y HN -0.051 nan 8.280 nan 0.000 0.477 478 V N 4.504 124.343 119.914 -0.126 0.000 2.339 478 V HA 0.235 4.355 4.120 0.000 0.000 0.261 478 V C 0.326 176.205 176.094 -0.359 0.000 1.058 478 V CA -0.357 61.616 62.300 -0.544 0.000 0.897 478 V CB -0.277 31.101 31.823 -0.743 0.000 1.052 478 V HN 0.719 nan 8.190 nan 0.000 0.480 479 L N 2.912 123.998 121.223 -0.228 0.000 2.855 479 L HA 0.671 5.011 4.340 0.000 0.000 0.204 479 L C 0.507 177.340 176.870 -0.062 0.000 1.206 479 L CA -0.263 54.550 54.840 -0.045 0.000 0.942 479 L CB 1.129 43.221 42.059 0.055 0.000 1.832 479 L HN 0.618 nan 8.230 nan 0.000 0.522 480 S N -0.365 115.353 115.700 0.031 0.000 2.543 480 S HA 0.460 4.930 4.470 0.000 0.000 0.273 480 S C -2.731 171.907 174.600 0.064 0.000 1.152 480 S CA -1.099 57.138 58.200 0.061 0.000 0.910 480 S CB 1.777 65.005 63.200 0.046 0.000 1.105 480 S HN 0.299 nan 8.310 nan 0.000 0.465 481 P HA 0.335 nan 4.420 nan 0.000 0.270 481 P C -0.980 176.312 177.300 -0.013 0.000 1.227 481 P CA -0.049 63.019 63.100 -0.053 0.000 0.788 481 P CB 0.173 31.764 31.700 -0.181 0.000 0.926 482 F N -0.161 119.612 119.950 -0.294 0.000 2.693 482 F HA 0.379 4.906 4.527 0.000 0.000 0.309 482 F C -1.531 174.008 175.800 -0.435 0.000 1.129 482 F CA -0.856 56.901 58.000 -0.406 0.000 0.948 482 F CB 1.259 40.010 39.000 -0.414 0.000 1.315 482 F HN 0.109 nan 8.300 nan 0.000 0.447 483 Y N 4.269 124.058 120.300 -0.851 0.000 2.491 483 Y HA 0.431 4.981 4.550 0.000 0.000 0.334 483 Y C -0.885 174.702 175.900 -0.522 0.000 0.969 483 Y CA -0.820 56.998 58.100 -0.470 0.000 1.241 483 Y CB 0.121 38.309 38.460 -0.454 0.000 1.105 483 Y HN 0.336 nan 8.280 nan 0.000 0.503 484 Y N 1.048 121.382 120.300 0.056 0.000 2.374 484 Y HA 0.327 4.877 4.550 0.000 0.000 0.322 484 Y C 0.001 175.923 175.900 0.038 0.000 1.275 484 Y CA -0.907 57.229 58.100 0.060 0.000 1.307 484 Y CB 0.588 39.135 38.460 0.146 0.000 1.282 484 Y HN 0.390 nan 8.280 nan 0.000 0.509 485 Y N 0.289 120.723 120.300 0.224 0.000 2.289 485 Y HA 0.387 4.937 4.550 0.000 0.000 0.332 485 Y C 0.087 176.046 175.900 0.098 0.000 1.324 485 Y CA -1.166 56.993 58.100 0.099 0.000 1.478 485 Y CB 0.537 39.026 38.460 0.048 0.000 1.378 485 Y HN 0.457 nan 8.280 nan 0.000 0.558 486 Q N -0.116 119.804 119.800 0.200 0.000 2.553 486 Q HA 0.514 4.854 4.340 0.000 0.000 0.293 486 Q C -1.408 174.569 176.000 -0.039 0.000 1.038 486 Q CA -1.053 54.788 55.803 0.065 0.000 0.777 486 Q CB 2.695 31.446 28.738 0.021 0.000 1.487 486 Q HN 0.471 nan 8.270 nan 0.000 0.426 487 I N 1.698 122.212 120.570 -0.092 0.000 2.496 487 I HA 0.028 4.198 4.170 0.000 0.000 0.285 487 I C 0.207 176.116 176.117 -0.348 0.000 1.080 487 I CA 0.032 61.229 61.300 -0.172 0.000 1.404 487 I CB 0.478 38.395 38.000 -0.139 0.000 1.403 487 I HN 0.430 nan 8.210 nan 0.000 0.539 488 E N 8.797 128.688 120.200 -0.516 0.000 2.694 488 E HA -0.092 4.258 4.350 0.000 0.000 0.250 488 E C -1.334 174.599 176.600 -1.113 0.000 0.963 488 E CA -0.829 54.944 56.400 -1.046 0.000 0.949 488 E CB 0.208 29.039 29.700 -1.449 0.000 0.911 488 E HN 0.443 nan 8.360 nan 0.000 0.500 489 P HA -0.204 nan 4.420 nan 0.000 0.217 489 P C 0.701 177.473 177.300 -0.880 0.000 1.148 489 P CA 1.561 64.109 63.100 -0.920 0.000 0.834 489 P CB -0.160 30.817 31.700 -1.205 0.000 0.783 490 W N 0.109 120.895 121.300 -0.857 0.000 3.204 490 W HA 0.301 4.961 4.660 0.000 0.000 0.249 490 W C 1.514 178.034 176.519 0.003 0.000 1.322 490 W CA -0.033 57.105 57.345 -0.346 0.000 1.593 490 W CB -1.036 28.373 29.460 -0.085 0.000 1.122 490 W HN -0.102 nan 8.180 nan 0.000 0.710 491 K N 0.082 120.330 120.400 -0.253 0.000 2.335 491 K HA 0.052 4.372 4.320 0.000 0.000 0.195 491 K C 1.982 178.570 176.600 -0.020 0.000 1.058 491 K CA 1.511 57.746 56.287 -0.087 0.000 0.988 491 K CB 0.212 32.585 32.500 -0.212 0.000 0.880 491 K HN 0.253 nan 8.250 nan 0.000 0.513 492 T N -2.751 111.769 114.554 -0.057 0.000 2.999 492 T HA 0.009 4.359 4.350 0.000 0.000 0.247 492 T C 0.600 175.327 174.700 0.044 0.000 1.012 492 T CA -0.208 61.885 62.100 -0.011 0.000 1.048 492 T CB -0.348 68.489 68.868 -0.051 0.000 1.020 492 T HN 0.148 nan 8.240 nan 0.000 0.478 493 H N 1.352 120.420 119.070 -0.003 0.000 2.928 493 H HA 0.464 5.020 4.556 0.000 0.000 0.338 493 H C -0.486 174.898 175.328 0.093 0.000 1.047 493 H CA -0.664 55.407 56.048 0.039 0.000 1.435 493 H CB 0.165 29.996 29.762 0.115 0.000 1.428 493 H HN 0.281 nan 8.280 nan 0.000 0.590 494 I N 6.480 126.657 120.570 -0.654 0.000 2.378 494 I HA 0.242 4.412 4.170 0.000 0.000 0.291 494 I C -1.147 174.627 176.117 -0.572 0.000 0.992 494 I CA -0.799 60.283 61.300 -0.364 0.000 1.154 494 I CB 0.172 38.097 38.000 -0.125 0.000 1.315 494 I HN 0.642 nan 8.210 nan 0.000 0.448 495 W N 0.000 121.165 121.300 -0.225 0.000 2.388 495 W HA 0.000 4.660 4.660 0.000 0.000 0.303 495 W CA 0.000 57.326 57.345 -0.032 0.000 1.226 495 W CB 0.000 29.509 29.460 0.082 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535