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 1jwk_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATXXXXXXX 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 ALVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ N 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 0.000 176.136 176.000 0.226 0.000 1.003 77 Q CA 0.000 55.850 55.803 0.078 0.000 1.022 77 Q CB 0.000 28.802 28.738 0.107 0.000 1.108 78 Y N 1.203 121.594 120.300 0.151 0.000 2.301 78 Y HA 0.660 5.210 4.550 0.000 0.000 0.328 78 Y C -0.249 175.660 175.900 0.016 0.000 1.242 78 Y CA -0.894 57.283 58.100 0.129 0.000 1.323 78 Y CB 0.662 39.156 38.460 0.057 0.000 1.266 78 Y HN -0.125 nan 8.280 nan 0.000 0.527 79 V N 5.067 125.079 119.914 0.163 0.000 2.427 79 V HA 0.412 4.532 4.120 0.000 0.000 0.286 79 V C -0.089 176.115 176.094 0.183 0.000 1.034 79 V CA -1.068 61.233 62.300 0.002 0.000 0.893 79 V CB 1.079 32.747 31.823 -0.258 0.000 0.982 79 V HN 0.895 nan 8.190 nan 0.000 0.452 80 R N 6.517 127.107 120.500 0.151 0.000 2.368 80 R HA 0.589 4.929 4.340 0.000 0.000 0.302 80 R C -0.987 175.373 176.300 0.100 0.000 1.002 80 R CA -0.389 55.831 56.100 0.200 0.000 0.929 80 R CB 1.475 31.896 30.300 0.203 0.000 1.073 80 R HN 0.653 nan 8.270 nan 0.000 0.464 81 I N -1.058 119.555 120.570 0.073 0.000 2.545 81 I HA 0.555 4.725 4.170 0.000 0.000 0.292 81 I C -0.871 175.217 176.117 -0.049 0.000 1.040 81 I CA -1.017 60.297 61.300 0.023 0.000 1.068 81 I CB 1.921 39.941 38.000 0.034 0.000 1.251 81 I HN 0.702 nan 8.210 nan 0.000 0.424 82 K N 4.159 124.516 120.400 -0.072 0.000 2.207 82 K HA 0.372 4.692 4.320 0.000 0.000 0.255 82 K C -0.801 175.702 176.600 -0.162 0.000 0.941 82 K CA -0.534 55.614 56.287 -0.232 0.000 0.825 82 K CB 1.777 33.956 32.500 -0.536 0.000 1.119 82 K HN 0.838 nan 8.250 nan 0.000 0.430 83 N N 3.792 122.395 118.700 -0.162 0.000 2.699 83 N HA 0.123 4.863 4.740 0.000 0.000 0.232 83 N C -0.198 175.315 175.510 0.005 0.000 1.027 83 N CA -0.653 52.406 53.050 0.015 0.000 0.920 83 N CB 0.423 38.913 38.487 0.006 0.000 1.148 83 N HN 0.590 nan 8.380 nan 0.000 0.509 84 W N 2.255 123.629 121.300 0.124 0.000 2.560 84 W HA 0.056 4.716 4.660 0.000 0.000 0.252 84 W C 2.004 178.552 176.519 0.048 0.000 1.242 84 W CA 0.295 57.705 57.345 0.108 0.000 1.242 84 W CB 0.052 29.614 29.460 0.169 0.000 1.136 84 W HN 0.583 nan 8.180 nan 0.000 0.625 85 G N -0.371 108.556 108.800 0.213 0.000 2.439 85 G HA2 -0.173 3.787 3.960 0.000 0.000 0.212 85 G HA3 -0.173 3.787 3.960 0.000 0.000 0.212 85 G C 1.553 176.466 174.900 0.023 0.000 1.199 85 G CA 1.141 46.262 45.100 0.035 0.000 0.807 85 G HN 0.273 nan 8.290 nan 0.000 0.537 86 S N -0.876 114.839 115.700 0.026 0.000 2.524 86 S HA 0.371 4.841 4.470 0.000 0.000 0.216 86 S C 1.935 176.514 174.600 -0.035 0.000 0.987 86 S CA 1.048 59.244 58.200 -0.007 0.000 0.909 86 S CB 0.263 63.458 63.200 -0.010 0.000 0.781 86 S HN 1.577 nan 8.310 nan 0.000 0.521 87 G N 1.316 110.080 108.800 -0.059 0.000 2.205 87 G HA2 -0.333 3.627 3.960 0.000 0.000 0.261 87 G HA3 -0.333 3.627 3.960 0.000 0.000 0.261 87 G C -0.089 174.723 174.900 -0.147 0.000 0.980 87 G CA 0.329 45.356 45.100 -0.122 0.000 0.632 87 G HN 0.768 nan 8.290 nan 0.000 0.533 88 E N 0.706 120.836 120.200 -0.116 0.000 2.437 88 E HA 0.328 4.678 4.350 0.000 0.000 0.263 88 E C 0.200 176.704 176.600 -0.160 0.000 1.030 88 E CA -0.188 56.137 56.400 -0.126 0.000 0.934 88 E CB 0.172 29.806 29.700 -0.110 0.000 0.943 88 E HN 0.221 nan 8.360 nan 0.000 0.444 89 I N 4.935 125.408 120.570 -0.162 0.000 2.530 89 I HA 0.369 4.539 4.170 0.000 0.000 0.297 89 I C -0.110 175.877 176.117 -0.215 0.000 1.011 89 I CA -0.666 60.541 61.300 -0.156 0.000 1.107 89 I CB 1.138 39.081 38.000 -0.095 0.000 1.285 89 I HN 0.568 nan 8.210 nan 0.000 0.436 90 L N 4.839 125.943 121.223 -0.197 0.000 2.370 90 L HA 0.484 4.824 4.340 0.000 0.000 0.266 90 L C -0.635 176.248 176.870 0.022 0.000 1.002 90 L CA -0.703 53.971 54.840 -0.277 0.000 0.818 90 L CB 2.486 44.156 42.059 -0.649 0.000 1.325 90 L HN 0.541 nan 8.230 nan 0.000 0.418 91 H N 1.037 120.081 119.070 -0.044 0.000 2.551 91 H HA 0.185 4.741 4.556 0.000 0.000 0.321 91 H C -1.118 174.346 175.328 0.226 0.000 1.028 91 H CA -0.769 55.261 56.048 -0.031 0.000 1.215 91 H CB 2.063 31.509 29.762 -0.528 0.000 1.414 91 H HN 0.425 nan 8.280 nan 0.000 0.480 92 D N 2.748 123.403 120.400 0.425 0.000 2.313 92 D HA 0.027 4.667 4.640 0.000 0.000 0.239 92 D C 0.766 177.237 176.300 0.286 0.000 1.142 92 D CA -0.072 54.130 54.000 0.337 0.000 0.847 92 D CB 1.378 42.334 40.800 0.260 0.000 1.082 92 D HN 0.724 nan 8.370 nan 0.000 0.480 93 T N 0.890 115.565 114.554 0.202 0.000 2.959 93 T HA -0.032 4.318 4.350 0.000 0.000 0.254 93 T C 1.816 176.519 174.700 0.005 0.000 1.003 93 T CA -0.261 61.943 62.100 0.173 0.000 0.950 93 T CB 0.075 69.053 68.868 0.183 0.000 1.090 93 T HN 0.232 nan 8.240 nan 0.000 0.503 94 L N 3.272 124.485 121.223 -0.017 0.000 2.131 94 L HA -0.086 4.254 4.340 0.000 0.000 0.210 94 L C 2.578 179.274 176.870 -0.290 0.000 1.092 94 L CA 1.955 56.751 54.840 -0.074 0.000 0.759 94 L CB -0.897 41.166 42.059 0.007 0.000 0.903 94 L HN 0.590 nan 8.230 nan 0.000 0.435 95 H N -2.310 116.311 119.070 -0.749 0.000 2.518 95 H HA -0.198 4.358 4.556 0.000 0.000 0.292 95 H C 1.667 176.654 175.328 -0.568 0.000 1.068 95 H CA 1.954 57.294 56.048 -1.179 0.000 1.275 95 H CB -1.097 28.012 29.762 -1.089 0.000 1.375 95 H HN 0.592 nan 8.280 nan 0.000 0.563 96 H N 0.962 119.590 119.070 -0.737 0.000 2.495 96 H HA 0.068 4.624 4.556 0.000 0.000 0.287 96 H C 1.542 176.726 175.328 -0.239 0.000 1.033 96 H CA 0.808 56.564 56.048 -0.487 0.000 1.307 96 H CB 0.359 29.886 29.762 -0.392 0.000 1.401 96 H HN 0.345 nan 8.280 nan 0.000 0.555 97 K N 0.655 121.005 120.400 -0.084 0.000 2.458 97 K HA 0.218 4.538 4.320 0.000 0.000 0.194 97 K C 0.593 177.196 176.600 0.007 0.000 1.024 97 K CA -0.143 56.137 56.287 -0.012 0.000 1.108 97 K CB 0.708 33.217 32.500 0.016 0.000 0.846 97 K HN 0.151 nan 8.250 nan 0.000 0.518 98 A N 1.097 123.898 122.820 -0.031 0.000 2.310 98 A HA 0.251 4.571 4.320 0.000 0.000 0.260 98 A C 0.452 178.047 177.584 0.019 0.000 1.112 98 A CA -0.161 51.891 52.037 0.026 0.000 0.804 98 A CB 0.329 19.349 19.000 0.033 0.000 1.081 98 A HN 0.108 nan 8.150 nan 0.000 0.499 109 C N 2.755 122.059 119.300 0.006 0.000 2.394 109 C HA 0.500 4.960 4.460 0.000 0.000 0.362 109 C C 0.790 175.789 174.990 0.014 0.000 1.268 109 C CA -0.425 58.598 59.018 0.009 0.000 1.828 109 C CB -1.125 26.615 27.740 -0.000 0.000 2.442 109 C HN 0.749 nan 8.230 nan 0.000 0.549 110 L N 3.392 124.629 121.223 0.023 0.000 3.034 110 L HA 0.277 4.617 4.340 0.000 0.000 0.245 110 L C 1.897 178.790 176.870 0.039 0.000 1.295 110 L CA 0.490 55.347 54.840 0.029 0.000 1.068 110 L CB -0.473 41.605 42.059 0.031 0.000 1.426 110 L HN 0.946 nan 8.230 nan 0.000 0.531 111 G N -1.321 107.502 108.800 0.037 0.000 2.511 111 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 111 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 111 G C 1.654 176.588 174.900 0.056 0.000 1.133 111 G CA 0.921 46.051 45.100 0.050 0.000 0.792 111 G HN 0.407 nan 8.290 nan 0.000 0.539 112 S N -0.093 115.632 115.700 0.043 0.000 2.461 112 S HA 0.131 4.601 4.470 0.000 0.000 0.228 112 S C 1.159 175.782 174.600 0.038 0.000 1.005 112 S CA -0.439 57.786 58.200 0.043 0.000 0.942 112 S CB -0.246 62.973 63.200 0.033 0.000 0.776 112 S HN 0.061 nan 8.310 nan 0.000 0.514 113 I N 2.996 123.587 120.570 0.035 0.000 2.752 113 I HA -0.008 4.162 4.170 0.000 0.000 0.289 113 I C 1.487 177.616 176.117 0.021 0.000 1.197 113 I CA 0.244 61.559 61.300 0.025 0.000 1.432 113 I CB -0.171 37.844 38.000 0.026 0.000 1.359 113 I HN 0.367 nan 8.210 nan 0.000 0.571 114 M N 6.005 125.603 119.600 -0.004 0.000 2.286 114 M HA -0.168 4.312 4.480 0.000 0.000 0.262 114 M C 0.744 176.990 176.300 -0.090 0.000 1.071 114 M CA 2.055 57.333 55.300 -0.036 0.000 1.091 114 M CB -0.164 32.402 32.600 -0.057 0.000 1.260 114 M HN 0.536 nan 8.290 nan 0.000 0.442 115 N N 1.030 119.639 118.700 -0.151 0.000 2.851 115 N HA 0.331 5.071 4.740 0.000 0.000 0.248 115 N C -2.571 172.904 175.510 -0.058 0.000 1.221 115 N CA -0.927 51.965 53.050 -0.263 0.000 0.847 115 N CB 0.556 38.738 38.487 -0.508 0.000 1.150 115 N HN 0.315 nan 8.380 nan 0.000 0.507 116 P HA 0.131 nan 4.420 nan 0.000 0.272 116 P C 0.564 177.934 177.300 0.116 0.000 1.223 116 P CA -0.245 62.903 63.100 0.080 0.000 0.784 116 P CB 1.872 33.632 31.700 0.099 0.000 0.923 117 K N 0.607 121.055 120.400 0.081 0.000 2.209 117 K HA -0.097 4.223 4.320 0.000 0.000 0.204 117 K C 2.090 178.757 176.600 0.111 0.000 1.048 117 K CA 1.816 58.152 56.287 0.081 0.000 0.940 117 K CB -0.348 32.178 32.500 0.043 0.000 0.729 117 K HN 0.547 nan 8.250 nan 0.000 0.451 118 S N 0.974 116.743 115.700 0.115 0.000 2.442 118 S HA -0.095 4.375 4.470 0.000 0.000 0.236 118 S C 1.649 176.369 174.600 0.201 0.000 1.007 118 S CA 0.904 59.177 58.200 0.121 0.000 0.965 118 S CB -0.240 63.016 63.200 0.093 0.000 0.773 118 S HN 0.234 nan 8.310 nan 0.000 0.504 119 L N 0.956 122.347 121.223 0.280 0.000 2.728 119 L HA 0.272 4.612 4.340 0.000 0.000 0.238 119 L C -0.151 177.062 176.870 0.573 0.000 1.143 119 L CA -0.047 55.045 54.840 0.420 0.000 0.937 119 L CB 0.209 42.508 42.059 0.400 0.000 1.225 119 L HN 0.156 nan 8.230 nan 0.000 0.507 120 T N 0.409 115.196 114.554 0.389 0.000 2.758 120 T HA 0.350 4.700 4.350 0.000 0.000 0.285 120 T C -0.226 174.531 174.700 0.095 0.000 0.981 120 T CA -0.380 61.895 62.100 0.291 0.000 0.965 120 T CB 1.772 70.747 68.868 0.179 0.000 0.927 120 T HN -0.064 nan 8.240 nan 0.000 0.448 121 R N 2.563 123.079 120.500 0.027 0.000 2.247 121 R HA 0.574 4.914 4.340 0.000 0.000 0.329 121 R C 0.631 176.895 176.300 -0.060 0.000 1.014 121 R CA -0.372 55.631 56.100 -0.162 0.000 0.907 121 R CB 0.004 30.082 30.300 -0.370 0.000 1.146 121 R HN 0.789 nan 8.270 nan 0.000 0.499 122 G N 3.749 112.513 108.800 -0.060 0.000 2.553 122 G HA2 0.302 4.262 3.960 0.000 0.000 0.278 122 G HA3 0.302 4.262 3.960 0.000 0.000 0.278 122 G C -1.976 172.894 174.900 -0.049 0.000 1.349 122 G CA -0.900 44.170 45.100 -0.050 0.000 1.037 122 G HN 0.608 nan 8.290 nan 0.000 0.508 123 P HA 0.400 nan 4.420 nan 0.000 0.274 123 P C -0.732 176.549 177.300 -0.031 0.000 1.256 123 P CA -0.284 62.792 63.100 -0.039 0.000 0.795 123 P CB 1.247 32.918 31.700 -0.048 0.000 1.038 124 R N -0.501 119.986 120.500 -0.021 0.000 2.764 124 R HA 0.303 4.643 4.340 0.000 0.000 0.270 124 R C -0.416 175.879 176.300 -0.007 0.000 1.014 124 R CA -0.464 55.628 56.100 -0.014 0.000 0.904 124 R CB 1.315 31.610 30.300 -0.010 0.000 1.236 124 R HN 0.431 nan 8.270 nan 0.000 0.466 125 D N -0.373 120.025 120.400 -0.003 0.000 2.527 125 D HA 0.177 4.817 4.640 0.000 0.000 0.224 125 D C -0.454 175.855 176.300 0.014 0.000 1.217 125 D CA -0.135 53.865 54.000 0.001 0.000 0.819 125 D CB 0.636 41.431 40.800 -0.008 0.000 1.061 125 D HN 0.164 nan 8.370 nan 0.000 0.515 126 K N 0.184 120.593 120.400 0.015 0.000 2.508 126 K HA 0.504 4.824 4.320 0.000 0.000 0.260 126 K C -2.942 173.670 176.600 0.020 0.000 0.949 126 K CA -1.992 54.307 56.287 0.020 0.000 0.834 126 K CB 2.621 35.130 32.500 0.014 0.000 1.365 126 K HN -0.215 nan 8.250 nan 0.000 0.437 127 P HA -0.011 nan 4.420 nan 0.000 0.269 127 P C -0.772 176.540 177.300 0.020 0.000 1.217 127 P CA -0.105 63.008 63.100 0.022 0.000 0.783 127 P CB 0.344 32.059 31.700 0.025 0.000 0.898 128 T N 3.627 118.195 114.554 0.022 0.000 2.853 128 T HA 0.147 4.497 4.350 0.000 0.000 0.298 128 T C -2.088 172.633 174.700 0.035 0.000 0.978 128 T CA -0.647 61.471 62.100 0.030 0.000 1.152 128 T CB -0.635 68.258 68.868 0.043 0.000 0.914 128 T HN 0.293 nan 8.240 nan 0.000 0.539 129 P HA 0.042 nan 4.420 nan 0.000 0.262 129 P C 0.672 177.986 177.300 0.024 0.000 1.182 129 P CA -0.254 62.859 63.100 0.022 0.000 0.761 129 P CB 0.400 32.109 31.700 0.015 0.000 0.795 130 L N 3.353 124.588 121.223 0.020 0.000 2.127 130 L HA -0.222 4.118 4.340 0.000 0.000 0.211 130 L C 1.940 178.809 176.870 -0.001 0.000 1.089 130 L CA 1.923 56.773 54.840 0.017 0.000 0.757 130 L CB -1.170 40.897 42.059 0.013 0.000 0.899 130 L HN 0.397 nan 8.230 nan 0.000 0.434 131 E N -0.402 119.792 120.200 -0.010 0.000 2.118 131 E HA -0.202 4.148 4.350 0.000 0.000 0.195 131 E C 2.091 178.655 176.600 -0.061 0.000 0.992 131 E CA 1.398 57.780 56.400 -0.030 0.000 0.804 131 E CB -0.231 29.454 29.700 -0.025 0.000 0.741 131 E HN 0.563 nan 8.360 nan 0.000 0.458 132 E N -0.026 120.148 120.200 -0.044 0.000 2.086 132 E HA -0.063 4.287 4.350 0.000 0.000 0.190 132 E C 1.964 178.526 176.600 -0.064 0.000 0.975 132 E CA 0.346 56.697 56.400 -0.082 0.000 0.813 132 E CB -0.090 29.627 29.700 0.027 0.000 0.768 132 E HN 0.083 nan 8.360 nan 0.000 0.457 133 L N 1.363 122.611 121.223 0.043 0.000 1.976 133 L HA -0.169 4.171 4.340 0.000 0.000 0.209 133 L C 2.262 179.176 176.870 0.073 0.000 1.071 133 L CA 1.433 56.340 54.840 0.113 0.000 0.746 133 L CB -0.667 41.464 42.059 0.120 0.000 0.890 133 L HN 0.130 nan 8.230 nan 0.000 0.432 134 L N 0.081 121.308 121.223 0.007 0.000 1.990 134 L HA -0.151 4.189 4.340 0.000 0.000 0.213 134 L C -0.473 176.384 176.870 -0.022 0.000 1.072 134 L CA 2.299 57.123 54.840 -0.027 0.000 0.755 134 L CB -1.852 40.186 42.059 -0.035 0.000 0.889 134 L HN 0.204 nan 8.230 nan 0.000 0.432 135 P HA -0.150 nan 4.420 nan 0.000 0.215 135 P C 1.264 178.578 177.300 0.024 0.000 1.153 135 P CA 1.565 64.625 63.100 -0.067 0.000 0.853 135 P CB -0.202 31.392 31.700 -0.178 0.000 0.788 136 H N -0.775 118.345 119.070 0.084 0.000 2.389 136 H HA 0.059 4.615 4.556 0.000 0.000 0.299 136 H C 1.954 177.394 175.328 0.187 0.000 1.081 136 H CA 1.435 57.559 56.048 0.128 0.000 1.345 136 H CB -0.966 28.867 29.762 0.119 0.000 1.393 136 H HN 0.051 nan 8.280 nan 0.000 0.520 137 A N 1.261 124.237 122.820 0.260 0.000 1.898 137 A HA -0.093 4.227 4.320 0.000 0.000 0.216 137 A C 2.423 180.108 177.584 0.167 0.000 1.181 137 A CA 1.055 53.205 52.037 0.187 0.000 0.620 137 A CB -0.404 18.455 19.000 -0.235 0.000 0.819 137 A HN 0.177 nan 8.150 nan 0.000 0.442 138 I N 0.105 120.733 120.570 0.098 0.000 2.179 138 I HA -0.205 3.965 4.170 0.000 0.000 0.242 138 I C 2.461 178.673 176.117 0.159 0.000 1.088 138 I CA 2.006 63.365 61.300 0.098 0.000 1.357 138 I CB -1.385 36.649 38.000 0.056 0.000 1.051 138 I HN 0.466 nan 8.210 nan 0.000 0.409 139 E N 1.349 121.662 120.200 0.189 0.000 2.085 139 E HA -0.289 4.061 4.350 0.000 0.000 0.194 139 E C 2.177 178.929 176.600 0.254 0.000 0.994 139 E CA 1.602 58.127 56.400 0.209 0.000 0.801 139 E CB -0.620 29.222 29.700 0.235 0.000 0.743 139 E HN 0.378 nan 8.360 nan 0.000 0.453 140 F N 0.399 120.461 119.950 0.188 0.000 2.163 140 F HA -0.050 4.477 4.527 0.000 0.000 0.297 140 F C 1.835 177.762 175.800 0.212 0.000 1.094 140 F CA 1.008 59.137 58.000 0.214 0.000 1.290 140 F CB -0.174 38.968 39.000 0.237 0.000 1.017 140 F HN 0.041 nan 8.300 nan 0.000 0.483 141 I N 0.919 121.478 120.570 -0.017 0.000 2.286 141 I HA -0.290 3.880 4.170 0.000 0.000 0.248 141 I C 1.974 178.078 176.117 -0.022 0.000 1.115 141 I CA 1.133 62.398 61.300 -0.058 0.000 1.392 141 I CB -1.572 36.513 38.000 0.143 0.000 1.065 141 I HN 0.231 nan 8.210 nan 0.000 0.418 142 N N 0.737 119.483 118.700 0.076 0.000 2.120 142 N HA -0.226 4.514 4.740 0.000 0.000 0.188 142 N C 1.846 177.357 175.510 0.001 0.000 1.024 142 N CA 1.056 54.180 53.050 0.124 0.000 0.852 142 N CB -0.362 38.241 38.487 0.194 0.000 1.003 142 N HN 0.510 nan 8.380 nan 0.000 0.424 143 Q N -0.277 119.512 119.800 -0.020 0.000 2.050 143 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 143 Q C 2.029 177.881 176.000 -0.246 0.000 0.980 143 Q CA 1.208 57.004 55.803 -0.012 0.000 0.840 143 Q CB -0.215 28.616 28.738 0.156 0.000 0.898 143 Q HN 0.488 nan 8.270 nan 0.000 0.424 144 Y N -0.284 119.591 120.300 -0.709 0.000 2.070 144 Y HA -0.335 4.215 4.550 0.000 0.000 0.280 144 Y C 1.672 177.023 175.900 -0.916 0.000 1.148 144 Y CA 2.135 59.484 58.100 -1.252 0.000 1.125 144 Y CB -0.333 37.380 38.460 -1.245 0.000 0.975 144 Y HN 0.198 nan 8.280 nan 0.000 0.492 145 Y N -0.263 119.696 120.300 -0.567 0.000 2.352 145 Y HA -0.026 4.524 4.550 0.000 0.000 0.292 145 Y C 2.557 178.355 175.900 -0.171 0.000 1.136 145 Y CA 1.139 59.027 58.100 -0.354 0.000 1.227 145 Y CB -0.809 37.265 38.460 -0.643 0.000 0.991 145 Y HN 0.235 nan 8.280 nan 0.000 0.545 146 G N -1.242 107.506 108.800 -0.086 0.000 2.598 146 G HA2 -0.175 3.785 3.960 0.000 0.000 0.215 146 G HA3 -0.175 3.785 3.960 0.000 0.000 0.215 146 G C 1.629 176.486 174.900 -0.073 0.000 1.131 146 G CA 0.941 46.036 45.100 -0.009 0.000 0.785 146 G HN 0.453 nan 8.290 nan 0.000 0.539 147 S N -0.425 115.117 115.700 -0.262 0.000 2.528 147 S HA 0.293 4.763 4.470 0.000 0.000 0.219 147 S C 0.502 174.911 174.600 -0.318 0.000 0.985 147 S CA -0.594 57.442 58.200 -0.273 0.000 0.914 147 S CB -0.221 62.789 63.200 -0.316 0.000 0.776 147 S HN 0.029 nan 8.310 nan 0.000 0.526 148 F N 2.388 122.207 119.950 -0.217 0.000 2.418 148 F HA 0.485 5.012 4.527 0.000 0.000 0.341 148 F C 1.532 177.286 175.800 -0.076 0.000 1.120 148 F CA -0.795 57.108 58.000 -0.163 0.000 1.232 148 F CB 0.892 39.776 39.000 -0.193 0.000 1.175 148 F HN -0.007 nan 8.300 nan 0.000 0.569 149 K N 0.898 121.394 120.400 0.159 0.000 2.031 149 K HA -0.052 4.268 4.320 0.000 0.000 0.205 149 K C 0.171 176.819 176.600 0.080 0.000 1.049 149 K CA 1.434 57.774 56.287 0.088 0.000 0.939 149 K CB 0.047 32.587 32.500 0.067 0.000 0.717 149 K HN 0.402 nan 8.250 nan 0.000 0.438 150 E N 1.447 121.697 120.200 0.083 0.000 2.001 150 E HA 0.217 4.567 4.350 0.000 0.000 0.279 150 E C -0.946 175.662 176.600 0.013 0.000 1.045 150 E CA -0.195 56.222 56.400 0.029 0.000 0.833 150 E CB 0.992 30.689 29.700 -0.005 0.000 1.077 150 E HN 0.401 nan 8.360 nan 0.000 0.397 151 A N 3.959 126.798 122.820 0.031 0.000 2.531 151 A HA 0.015 4.335 4.320 0.000 0.000 0.236 151 A C 0.361 177.933 177.584 -0.020 0.000 1.062 151 A CA 0.402 52.461 52.037 0.038 0.000 0.760 151 A CB 0.246 19.276 19.000 0.049 0.000 0.995 151 A HN 0.470 nan 8.150 nan 0.000 0.501 152 K N 3.083 123.470 120.400 -0.021 0.000 2.877 152 K HA 0.299 4.619 4.320 0.000 0.000 0.176 152 K C 0.242 176.815 176.600 -0.045 0.000 1.075 152 K CA -0.130 56.119 56.287 -0.063 0.000 0.939 152 K CB 0.534 32.946 32.500 -0.147 0.000 1.237 152 K HN 0.720 nan 8.250 nan 0.000 0.607 153 I N 0.316 120.868 120.570 -0.031 0.000 2.335 153 I HA -0.306 3.864 4.170 0.000 0.000 0.251 153 I C 2.363 178.416 176.117 -0.106 0.000 1.129 153 I CA 1.402 62.666 61.300 -0.060 0.000 1.402 153 I CB -0.060 37.900 38.000 -0.067 0.000 1.069 153 I HN 0.568 nan 8.210 nan 0.000 0.424 154 E N 1.494 121.641 120.200 -0.088 0.000 2.031 154 E HA -0.251 4.099 4.350 0.000 0.000 0.193 154 E C 2.017 178.555 176.600 -0.102 0.000 0.994 154 E CA 1.543 57.893 56.400 -0.084 0.000 0.800 154 E CB 0.070 29.733 29.700 -0.061 0.000 0.752 154 E HN 0.518 nan 8.360 nan 0.000 0.447 155 E N -1.026 119.104 120.200 -0.117 0.000 2.208 155 E HA -0.167 4.183 4.350 0.000 0.000 0.193 155 E C 1.966 178.360 176.600 -0.345 0.000 0.988 155 E CA 0.703 57.027 56.400 -0.127 0.000 0.828 155 E CB -0.168 29.520 29.700 -0.020 0.000 0.763 155 E HN 0.467 nan 8.360 nan 0.000 0.478 156 H N 0.656 119.286 119.070 -0.734 0.000 2.293 156 H HA -0.105 4.451 4.556 0.000 0.000 0.300 156 H C 2.097 177.131 175.328 -0.489 0.000 1.082 156 H CA 0.784 56.178 56.048 -1.090 0.000 1.308 156 H CB 0.240 29.559 29.762 -0.737 0.000 1.375 156 H HN 0.052 nan 8.280 nan 0.000 0.495 157 L N 0.721 121.825 121.223 -0.198 0.000 2.046 157 L HA -0.140 4.200 4.340 0.000 0.000 0.208 157 L C 2.897 179.714 176.870 -0.089 0.000 1.077 157 L CA 1.539 56.280 54.840 -0.165 0.000 0.747 157 L CB -1.623 40.341 42.059 -0.158 0.000 0.896 157 L HN 0.466 nan 8.230 nan 0.000 0.432 158 A N -0.192 122.578 122.820 -0.084 0.000 1.902 158 A HA -0.261 4.059 4.320 0.000 0.000 0.217 158 A C 2.428 180.008 177.584 -0.006 0.000 1.181 158 A CA 1.850 53.864 52.037 -0.039 0.000 0.623 158 A CB -0.454 18.529 19.000 -0.030 0.000 0.818 158 A HN 0.303 nan 8.150 nan 0.000 0.443 159 R N 0.003 120.502 120.500 -0.003 0.000 2.075 159 R HA 0.028 4.368 4.340 0.000 0.000 0.232 159 R C 1.920 178.263 176.300 0.071 0.000 1.126 159 R CA 1.530 57.677 56.100 0.079 0.000 0.963 159 R CB -0.911 29.508 30.300 0.198 0.000 0.858 159 R HN 0.512 nan 8.270 nan 0.000 0.435 160 L N 0.315 121.574 121.223 0.060 0.000 2.042 160 L HA -0.198 4.142 4.340 0.000 0.000 0.210 160 L C 2.569 179.441 176.870 0.003 0.000 1.076 160 L CA 2.059 56.926 54.840 0.045 0.000 0.749 160 L CB -0.527 41.553 42.059 0.034 0.000 0.893 160 L HN 0.435 nan 8.230 nan 0.000 0.432 161 E N 0.104 120.301 120.200 -0.005 0.000 2.047 161 E HA -0.233 4.117 4.350 0.000 0.000 0.191 161 E C 2.221 178.820 176.600 -0.001 0.000 0.987 161 E CA 1.144 57.538 56.400 -0.011 0.000 0.799 161 E CB -0.012 29.678 29.700 -0.015 0.000 0.752 161 E HN 0.449 nan 8.360 nan 0.000 0.449 162 A N 0.588 123.417 122.820 0.014 0.000 1.902 162 A HA -0.140 4.180 4.320 0.000 0.000 0.217 162 A C 2.396 179.996 177.584 0.027 0.000 1.181 162 A CA 1.482 53.536 52.037 0.029 0.000 0.623 162 A CB -0.661 18.368 19.000 0.049 0.000 0.818 162 A HN 0.237 nan 8.150 nan 0.000 0.443 163 V N -0.345 119.574 119.914 0.008 0.000 2.343 163 V HA -0.222 3.898 4.120 0.000 0.000 0.247 163 V C 2.738 178.777 176.094 -0.093 0.000 1.051 163 V CA 2.442 64.704 62.300 -0.063 0.000 1.036 163 V CB -1.275 30.445 31.823 -0.172 0.000 0.654 163 V HN 0.606 nan 8.190 nan 0.000 0.451 164 T N -0.242 114.273 114.554 -0.065 0.000 2.684 164 T HA -0.190 4.160 4.350 0.000 0.000 0.267 164 T C 2.024 176.712 174.700 -0.021 0.000 1.036 164 T CA 1.300 63.370 62.100 -0.050 0.000 1.148 164 T CB -0.239 68.609 68.868 -0.034 0.000 0.863 164 T HN 0.308 nan 8.240 nan 0.000 0.436 165 K N 1.137 121.534 120.400 -0.005 0.000 2.057 165 K HA -0.062 4.258 4.320 0.000 0.000 0.207 165 K C 2.258 178.871 176.600 0.023 0.000 1.049 165 K CA 1.187 57.479 56.287 0.009 0.000 0.931 165 K CB -0.456 32.052 32.500 0.013 0.000 0.714 165 K HN 0.514 nan 8.250 nan 0.000 0.440 166 E N 0.614 120.835 120.200 0.035 0.000 2.077 166 E HA -0.110 4.240 4.350 0.000 0.000 0.193 166 E C 2.061 178.704 176.600 0.071 0.000 0.989 166 E CA 0.793 57.232 56.400 0.066 0.000 0.800 166 E CB 0.005 29.772 29.700 0.111 0.000 0.746 166 E HN 0.218 nan 8.360 nan 0.000 0.452 167 I N 0.623 121.224 120.570 0.053 0.000 2.315 167 I HA -0.215 3.955 4.170 0.000 0.000 0.248 167 I C 2.506 178.645 176.117 0.037 0.000 1.117 167 I CA 1.005 62.339 61.300 0.056 0.000 1.404 167 I CB -0.236 37.772 38.000 0.013 0.000 1.071 167 I HN 0.199 nan 8.210 nan 0.000 0.419 168 E N 0.732 120.945 120.200 0.021 0.000 2.077 168 E HA -0.232 4.118 4.350 0.000 0.000 0.193 168 E C 2.080 178.692 176.600 0.021 0.000 0.989 168 E CA 2.086 58.495 56.400 0.015 0.000 0.800 168 E CB 0.116 29.821 29.700 0.008 0.000 0.746 168 E HN 0.546 nan 8.360 nan 0.000 0.452 169 T N -3.182 111.388 114.554 0.026 0.000 3.057 169 T HA 0.011 4.361 4.350 0.000 0.000 0.254 169 T C 1.774 176.493 174.700 0.031 0.000 1.094 169 T CA 1.001 63.117 62.100 0.026 0.000 1.088 169 T CB 0.237 69.120 68.868 0.026 0.000 0.934 169 T HN 0.209 nan 8.240 nan 0.000 0.497 170 T N -3.171 111.408 114.554 0.041 0.000 2.964 170 T HA 0.525 4.875 4.350 0.000 0.000 0.249 170 T C 1.895 176.621 174.700 0.044 0.000 1.000 170 T CA 0.746 62.871 62.100 0.042 0.000 0.992 170 T CB 0.036 68.935 68.868 0.052 0.000 1.087 170 T HN 0.896 nan 8.240 nan 0.000 0.489 171 G N 0.207 109.039 108.800 0.052 0.000 2.176 171 G HA2 -0.118 3.842 3.960 0.000 0.000 0.232 171 G HA3 -0.118 3.842 3.960 0.000 0.000 0.232 171 G C 0.177 175.123 174.900 0.076 0.000 0.986 171 G CA 0.522 45.653 45.100 0.052 0.000 0.643 171 G HN 1.001 nan 8.290 nan 0.000 0.522 172 T N -1.460 113.159 114.554 0.108 0.000 2.647 172 T HA 0.681 5.031 4.350 0.000 0.000 0.302 172 T C -1.795 173.071 174.700 0.277 0.000 1.389 172 T CA 0.578 62.777 62.100 0.164 0.000 1.037 172 T CB 1.124 70.028 68.868 0.059 0.000 1.755 172 T HN 1.691 nan 8.240 nan 0.000 0.467 173 Y N -0.340 119.971 120.300 0.019 0.000 2.677 173 Y HA 0.773 5.323 4.550 0.000 0.000 0.334 173 Y C -1.643 174.282 175.900 0.042 0.000 1.196 173 Y CA -1.199 56.923 58.100 0.038 0.000 1.059 173 Y CB 0.822 39.318 38.460 0.059 0.000 1.315 173 Y HN 0.410 nan 8.280 nan 0.000 0.455 174 Q N 2.734 122.567 119.800 0.054 0.000 2.282 174 Q HA 0.520 4.860 4.340 0.000 0.000 0.260 174 Q C -0.773 175.251 176.000 0.040 0.000 0.964 174 Q CA -0.752 55.036 55.803 -0.025 0.000 0.880 174 Q CB 2.818 31.577 28.738 0.036 0.000 1.286 174 Q HN 0.846 nan 8.270 nan 0.000 0.445 175 L N 1.460 122.678 121.223 -0.008 0.000 2.418 175 L HA 0.329 4.669 4.340 0.000 0.000 0.265 175 L C 1.114 178.014 176.870 0.051 0.000 1.143 175 L CA -0.474 54.409 54.840 0.071 0.000 0.809 175 L CB 0.705 42.799 42.059 0.059 0.000 1.124 175 L HN 0.675 nan 8.230 nan 0.000 0.456 176 T N -1.493 113.080 114.554 0.032 0.000 2.849 176 T HA 0.166 4.516 4.350 0.000 0.000 0.284 176 T C 1.226 175.918 174.700 -0.015 0.000 1.004 176 T CA -0.688 61.416 62.100 0.008 0.000 1.021 176 T CB 1.094 69.958 68.868 -0.006 0.000 1.013 176 T HN 0.555 nan 8.240 nan 0.000 0.527 177 L N 0.255 121.474 121.223 -0.006 0.000 2.013 177 L HA -0.142 4.198 4.340 0.000 0.000 0.212 177 L C 2.150 179.018 176.870 -0.003 0.000 1.073 177 L CA 2.042 56.872 54.840 -0.017 0.000 0.753 177 L CB -0.571 41.482 42.059 -0.010 0.000 0.890 177 L HN 0.748 nan 8.230 nan 0.000 0.432 178 D N -0.261 120.154 120.400 0.024 0.000 2.144 178 D HA -0.200 4.440 4.640 0.000 0.000 0.199 178 D C 2.072 178.411 176.300 0.065 0.000 0.984 178 D CA 1.171 55.226 54.000 0.091 0.000 0.834 178 D CB -0.007 40.908 40.800 0.193 0.000 0.955 178 D HN 0.460 nan 8.370 nan 0.000 0.465 179 E N -0.102 119.992 120.200 -0.176 0.000 2.072 179 E HA -0.136 4.214 4.350 0.000 0.000 0.191 179 E C 2.006 178.710 176.600 0.173 0.000 0.985 179 E CA 0.266 56.523 56.400 -0.238 0.000 0.801 179 E CB -0.023 29.517 29.700 -0.267 0.000 0.750 179 E HN 0.097 nan 8.360 nan 0.000 0.452 180 L N 1.140 122.390 121.223 0.044 0.000 2.027 180 L HA -0.142 4.198 4.340 0.000 0.000 0.206 180 L C 2.024 178.888 176.870 -0.010 0.000 1.074 180 L CA 1.523 56.338 54.840 -0.041 0.000 0.745 180 L CB -0.320 41.655 42.059 -0.139 0.000 0.898 180 L HN 0.129 nan 8.230 nan 0.000 0.433 181 I N -1.120 119.465 120.570 0.025 0.000 2.151 181 I HA -0.360 3.810 4.170 0.000 0.000 0.243 181 I C 2.413 178.605 176.117 0.126 0.000 1.080 181 I CA 1.880 63.202 61.300 0.036 0.000 1.339 181 I CB -0.466 37.560 38.000 0.043 0.000 1.039 181 I HN 0.342 nan 8.210 nan 0.000 0.409 182 F N 1.768 121.770 119.950 0.088 0.000 2.095 182 F HA -0.254 4.273 4.527 0.000 0.000 0.298 182 F C 2.465 178.361 175.800 0.159 0.000 1.104 182 F CA 1.564 59.658 58.000 0.157 0.000 1.232 182 F CB -0.396 38.768 39.000 0.273 0.000 0.987 182 F HN 0.008 nan 8.300 nan 0.000 0.475 183 A N -0.107 122.816 122.820 0.172 0.000 1.902 183 A HA -0.208 4.112 4.320 0.000 0.000 0.217 183 A C 2.268 179.744 177.584 -0.180 0.000 1.181 183 A CA 2.544 54.557 52.037 -0.039 0.000 0.623 183 A CB -1.656 17.281 19.000 -0.104 0.000 0.818 183 A HN 0.559 nan 8.150 nan 0.000 0.443 184 T N -1.815 112.670 114.554 -0.115 0.000 2.821 184 T HA -0.120 4.230 4.350 0.000 0.000 0.267 184 T C 1.821 176.536 174.700 0.025 0.000 1.046 184 T CA 1.577 63.638 62.100 -0.066 0.000 1.139 184 T CB -0.293 68.553 68.868 -0.037 0.000 0.871 184 T HN 0.532 nan 8.240 nan 0.000 0.454 185 K N 0.239 120.666 120.400 0.046 0.000 2.025 185 K HA 0.097 4.417 4.320 0.000 0.000 0.207 185 K C 2.538 179.178 176.600 0.067 0.000 1.049 185 K CA 1.187 57.592 56.287 0.197 0.000 0.933 185 K CB -0.230 32.408 32.500 0.231 0.000 0.714 185 K HN 0.230 nan 8.250 nan 0.000 0.438 186 M N 0.593 120.063 119.600 -0.215 0.000 2.117 186 M HA -0.095 4.385 4.480 0.000 0.000 0.262 186 M C 2.427 178.565 176.300 -0.271 0.000 1.065 186 M CA 1.411 56.497 55.300 -0.356 0.000 1.114 186 M CB -1.052 31.218 32.600 -0.551 0.000 1.361 186 M HN 0.167 nan 8.290 nan 0.000 0.408 187 A N -0.684 121.942 122.820 -0.322 0.000 1.933 187 A HA -0.211 4.109 4.320 0.000 0.000 0.218 187 A C 2.013 179.405 177.584 -0.321 0.000 1.175 187 A CA 1.466 53.172 52.037 -0.552 0.000 0.628 187 A CB -1.108 17.178 19.000 -1.191 0.000 0.814 187 A HN 0.673 nan 8.150 nan 0.000 0.444 188 W N 0.965 122.128 121.300 -0.229 0.000 2.378 188 W HA -0.134 4.526 4.660 0.000 0.000 0.313 188 W C 2.279 178.706 176.519 -0.152 0.000 1.197 188 W CA 1.558 58.850 57.345 -0.088 0.000 1.304 188 W CB -0.810 28.611 29.460 -0.065 0.000 1.148 188 W HN 0.350 nan 8.180 nan 0.000 0.494 189 R N 0.510 120.946 120.500 -0.106 0.000 2.170 189 R HA -0.188 4.152 4.340 0.000 0.000 0.242 189 R C 1.318 177.491 176.300 -0.211 0.000 1.145 189 R CA 1.879 57.770 56.100 -0.348 0.000 0.984 189 R CB -0.498 29.425 30.300 -0.628 0.000 0.869 189 R HN 0.033 nan 8.270 nan 0.000 0.455 190 N N -0.189 118.416 118.700 -0.158 0.000 2.314 190 N HA 0.101 4.841 4.740 0.000 0.000 0.200 190 N C -0.968 174.488 175.510 -0.091 0.000 1.135 190 N CA 0.502 53.495 53.050 -0.096 0.000 0.835 190 N CB 1.139 39.607 38.487 -0.032 0.000 0.989 190 N HN 0.170 nan 8.380 nan 0.000 0.478 191 A N 1.440 124.196 122.820 -0.106 0.000 2.415 191 A HA 0.370 4.690 4.320 0.000 0.000 0.309 191 A C -1.380 176.171 177.584 -0.054 0.000 1.356 191 A CA -1.133 50.814 52.037 -0.150 0.000 0.998 191 A CB 0.558 19.517 19.000 -0.068 0.000 1.145 191 A HN -0.032 nan 8.150 nan 0.000 0.545 192 P HA -0.142 nan 4.420 nan 0.000 0.219 192 P C 1.067 178.345 177.300 -0.037 0.000 1.146 192 P CA 1.123 64.216 63.100 -0.013 0.000 0.808 192 P CB 0.181 31.892 31.700 0.017 0.000 0.779 193 R N -1.988 118.485 120.500 -0.045 0.000 2.317 193 R HA 0.164 4.504 4.340 0.000 0.000 0.208 193 R C 0.329 176.571 176.300 -0.096 0.000 0.914 193 R CA -0.040 56.025 56.100 -0.059 0.000 1.060 193 R CB -0.638 29.659 30.300 -0.004 0.000 1.015 193 R HN 0.204 nan 8.270 nan 0.000 0.498 194 C N 1.201 120.453 119.300 -0.080 0.000 2.325 194 C HA 0.329 4.789 4.460 0.000 0.000 0.347 194 C C 1.777 176.686 174.990 -0.135 0.000 1.263 194 C CA -0.725 58.263 59.018 -0.050 0.000 1.806 194 C CB -0.501 27.293 27.740 0.089 0.000 2.405 194 C HN 0.539 nan 8.230 nan 0.000 0.537 195 I N 4.177 124.647 120.570 -0.167 0.000 3.419 195 I HA 0.193 4.363 4.170 0.000 0.000 0.286 195 I C 1.860 178.012 176.117 0.058 0.000 1.268 195 I CA 0.923 62.089 61.300 -0.224 0.000 1.414 195 I CB 0.109 37.983 38.000 -0.211 0.000 1.074 195 I HN 0.922 nan 8.210 nan 0.000 0.457 196 G N 0.064 108.904 108.800 0.066 0.000 3.371 196 G HA2 0.037 3.997 3.960 0.000 0.000 0.248 196 G HA3 0.037 3.997 3.960 0.000 0.000 0.248 196 G C 1.229 176.142 174.900 0.022 0.000 1.161 196 G CA -0.366 44.781 45.100 0.078 0.000 0.796 196 G HN 0.237 nan 8.290 nan 0.000 0.539 197 R N -0.219 120.224 120.500 -0.096 0.000 2.341 197 R HA 0.094 4.434 4.340 0.000 0.000 0.213 197 R C 1.932 177.716 176.300 -0.861 0.000 1.082 197 R CA 0.239 55.978 56.100 -0.602 0.000 1.017 197 R CB -0.136 29.821 30.300 -0.573 0.000 0.860 197 R HN 0.456 nan 8.270 nan 0.000 0.473 198 I N 0.664 120.960 120.570 -0.455 0.000 2.830 198 I HA -0.204 3.966 4.170 0.000 0.000 0.263 198 I C 1.306 177.342 176.117 -0.135 0.000 1.230 198 I CA 1.073 62.292 61.300 -0.135 0.000 1.480 198 I CB 0.180 38.214 38.000 0.055 0.000 1.095 198 I HN 0.179 nan 8.210 nan 0.000 0.455 199 Q N 0.621 120.250 119.800 -0.285 0.000 2.403 199 Q HA -0.098 4.242 4.340 0.000 0.000 0.203 199 Q C 1.620 177.155 176.000 -0.774 0.000 0.932 199 Q CA 0.310 55.926 55.803 -0.313 0.000 0.945 199 Q CB -0.175 28.537 28.738 -0.043 0.000 1.045 199 Q HN 0.766 nan 8.270 nan 0.000 0.511 200 W N 1.258 121.774 121.300 -1.306 0.000 2.296 200 W HA -0.273 4.387 4.660 0.000 0.000 0.296 200 W C 1.249 177.463 176.519 -0.508 0.000 1.220 200 W CA 1.635 58.111 57.345 -1.449 0.000 1.223 200 W CB -1.346 27.513 29.460 -1.002 0.000 1.139 200 W HN 0.172 nan 8.180 nan 0.000 0.534 201 S N 0.357 115.300 115.700 -1.261 0.000 2.496 201 S HA -0.016 4.454 4.470 0.000 0.000 0.224 201 S C 0.336 174.703 174.600 -0.389 0.000 0.996 201 S CA 0.226 57.827 58.200 -0.998 0.000 0.927 201 S CB -0.879 61.534 63.200 -1.311 0.000 0.774 201 S HN 0.314 nan 8.310 nan 0.000 0.524 202 N N 1.564 120.132 118.700 -0.220 0.000 2.645 202 N HA 0.566 5.306 4.740 0.000 0.000 0.233 202 N C -1.419 174.166 175.510 0.126 0.000 1.058 202 N CA -0.292 52.743 53.050 -0.025 0.000 0.942 202 N CB 1.062 39.570 38.487 0.035 0.000 1.210 202 N HN 0.245 nan 8.380 nan 0.000 0.512 203 L N 1.887 123.147 121.223 0.063 0.000 2.528 203 L HA 0.318 4.658 4.340 0.000 0.000 0.267 203 L C -1.113 175.695 176.870 -0.103 0.000 0.961 203 L CA -0.731 54.134 54.840 0.040 0.000 0.866 203 L CB 1.761 43.898 42.059 0.130 0.000 1.248 203 L HN 0.285 nan 8.230 nan 0.000 0.404 204 Q N 3.053 122.735 119.800 -0.198 0.000 2.304 204 Q HA 0.579 4.919 4.340 0.000 0.000 0.260 204 Q C -1.589 174.038 176.000 -0.622 0.000 0.965 204 Q CA 0.016 55.537 55.803 -0.469 0.000 0.898 204 Q CB 1.401 29.709 28.738 -0.717 0.000 1.196 204 Q HN 0.527 nan 8.270 nan 0.000 0.402 205 V N 5.980 125.524 119.914 -0.616 0.000 2.378 205 V HA 0.411 4.531 4.120 0.000 0.000 0.288 205 V C -0.962 174.779 176.094 -0.587 0.000 1.016 205 V CA -0.605 61.392 62.300 -0.505 0.000 0.840 205 V CB 0.741 32.399 31.823 -0.275 0.000 0.994 205 V HN 0.666 nan 8.190 nan 0.000 0.431 206 F N 2.699 122.476 119.950 -0.288 0.000 2.391 206 F HA 0.376 4.903 4.527 0.000 0.000 0.359 206 F C 0.509 176.116 175.800 -0.321 0.000 1.122 206 F CA -1.145 56.681 58.000 -0.289 0.000 1.120 206 F CB 0.993 39.818 39.000 -0.293 0.000 1.142 206 F HN 0.441 nan 8.300 nan 0.000 0.483 207 D N 3.305 123.647 120.400 -0.096 0.000 2.393 207 D HA 0.375 5.015 4.640 0.000 0.000 0.232 207 D C 0.175 176.312 176.300 -0.271 0.000 1.192 207 D CA 0.077 53.967 54.000 -0.183 0.000 0.882 207 D CB 0.867 41.595 40.800 -0.119 0.000 1.038 207 D HN 0.581 nan 8.370 nan 0.000 0.499 208 A N 4.493 127.027 122.820 -0.476 0.000 2.713 208 A HA 0.175 4.495 4.320 0.000 0.000 0.296 208 A C 1.600 178.947 177.584 -0.395 0.000 1.255 208 A CA -0.418 51.206 52.037 -0.688 0.000 0.955 208 A CB -0.016 18.137 19.000 -1.410 0.000 1.149 208 A HN 0.533 nan 8.150 nan 0.000 0.538 209 R N -0.214 120.148 120.500 -0.231 0.000 2.285 209 R HA -0.031 4.309 4.340 0.000 0.000 0.213 209 R C 0.655 176.901 176.300 -0.089 0.000 1.068 209 R CA 1.183 57.209 56.100 -0.123 0.000 1.004 209 R CB -0.146 30.133 30.300 -0.035 0.000 0.873 209 R HN 0.647 nan 8.270 nan 0.000 0.467 210 N N -0.593 118.068 118.700 -0.066 0.000 2.280 210 N HA 0.024 4.765 4.740 0.000 0.000 0.192 210 N C -0.004 175.533 175.510 0.046 0.000 1.109 210 N CA -0.518 52.532 53.050 0.001 0.000 0.855 210 N CB 0.478 38.980 38.487 0.025 0.000 0.974 210 N HN 0.072 nan 8.380 nan 0.000 0.482 211 C N 0.581 119.893 119.300 0.020 0.000 2.727 211 C HA 0.142 4.602 4.460 0.000 0.000 0.401 211 C C 1.761 176.879 174.990 0.214 0.000 1.294 211 C CA 0.446 59.554 59.018 0.149 0.000 2.134 211 C CB 0.222 28.074 27.740 0.186 0.000 2.724 211 C HN 0.554 nan 8.230 nan 0.000 0.677 212 S N 0.564 116.479 115.700 0.357 0.000 2.546 212 S HA 0.178 4.648 4.470 0.000 0.000 0.282 212 S C 0.153 174.959 174.600 0.343 0.000 1.074 212 S CA 0.441 58.899 58.200 0.430 0.000 1.254 212 S CB -0.241 63.108 63.200 0.248 0.000 1.103 212 S HN 1.036 nan 8.310 nan 0.000 0.589 213 T N -1.047 113.673 114.554 0.276 0.000 2.942 213 T HA 0.858 5.208 4.350 0.000 0.000 0.289 213 T C 1.251 176.046 174.700 0.160 0.000 1.044 213 T CA -0.178 62.024 62.100 0.171 0.000 1.023 213 T CB 1.497 70.445 68.868 0.133 0.000 1.123 213 T HN 0.329 nan 8.240 nan 0.000 0.512 214 A N 0.234 123.116 122.820 0.104 0.000 1.933 214 A HA -0.083 4.237 4.320 0.000 0.000 0.218 214 A C 2.306 179.867 177.584 -0.038 0.000 1.175 214 A CA 1.730 53.817 52.037 0.083 0.000 0.628 214 A CB -1.060 18.068 19.000 0.214 0.000 0.814 214 A HN 0.953 nan 8.150 nan 0.000 0.444 215 Q N -0.156 119.684 119.800 0.067 0.000 2.084 215 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 215 Q C 1.800 177.803 176.000 0.005 0.000 0.978 215 Q CA 1.905 57.715 55.803 0.011 0.000 0.844 215 Q CB -0.164 28.661 28.738 0.144 0.000 0.898 215 Q HN 0.796 nan 8.270 nan 0.000 0.426 216 E N 0.028 120.269 120.200 0.067 0.000 2.106 216 E HA -0.161 4.189 4.350 0.000 0.000 0.192 216 E C 2.154 178.857 176.600 0.171 0.000 0.984 216 E CA 1.177 57.627 56.400 0.083 0.000 0.806 216 E CB -0.074 29.730 29.700 0.173 0.000 0.750 216 E HN 0.413 nan 8.360 nan 0.000 0.458 217 M N 0.037 119.759 119.600 0.204 0.000 2.080 217 M HA -0.177 4.303 4.480 0.000 0.000 0.260 217 M C 2.220 178.600 176.300 0.132 0.000 1.068 217 M CA 1.335 56.759 55.300 0.207 0.000 1.109 217 M CB -0.308 32.220 32.600 -0.121 0.000 1.342 217 M HN 0.129 nan 8.290 nan 0.000 0.405 218 F N 1.370 121.152 119.950 -0.279 0.000 2.126 218 F HA -0.277 4.250 4.527 0.000 0.000 0.299 218 F C 2.276 177.963 175.800 -0.188 0.000 1.096 218 F CA 1.875 59.641 58.000 -0.390 0.000 1.255 218 F CB -0.545 37.904 39.000 -0.918 0.000 0.997 218 F HN 0.181 nan 8.300 nan 0.000 0.479 219 Q N -1.072 118.542 119.800 -0.310 0.000 2.084 219 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 219 Q C 2.251 178.051 176.000 -0.334 0.000 0.978 219 Q CA 1.662 57.226 55.803 -0.398 0.000 0.844 219 Q CB -0.446 28.107 28.738 -0.310 0.000 0.898 219 Q HN 0.514 nan 8.270 nan 0.000 0.426 220 H N 0.330 119.345 119.070 -0.092 0.000 2.321 220 H HA -0.092 4.464 4.556 0.000 0.000 0.300 220 H C 2.176 177.452 175.328 -0.088 0.000 1.087 220 H CA 1.308 57.304 56.048 -0.087 0.000 1.319 220 H CB -0.149 29.640 29.762 0.044 0.000 1.379 220 H HN 0.261 nan 8.280 nan 0.000 0.501 221 I N -0.022 120.619 120.570 0.118 0.000 2.226 221 I HA -0.299 3.871 4.170 0.000 0.000 0.245 221 I C 2.736 178.799 176.117 -0.090 0.000 1.100 221 I CA 0.895 62.216 61.300 0.035 0.000 1.374 221 I CB -0.387 37.635 38.000 0.036 0.000 1.057 221 I HN 0.212 nan 8.210 nan 0.000 0.413 222 C N 0.408 119.553 119.300 -0.259 0.000 2.429 222 C HA -0.163 4.297 4.460 0.000 0.000 0.277 222 C C 3.010 177.903 174.990 -0.162 0.000 1.262 222 C CA 0.834 59.686 59.018 -0.276 0.000 1.733 222 C CB -1.177 26.271 27.740 -0.487 0.000 2.010 222 C HN 0.465 nan 8.230 nan 0.000 0.483 223 R N 0.013 120.394 120.500 -0.197 0.000 2.096 223 R HA -0.167 4.173 4.340 0.000 0.000 0.235 223 R C 2.124 178.321 176.300 -0.171 0.000 1.127 223 R CA 1.979 57.951 56.100 -0.215 0.000 0.968 223 R CB -0.692 29.404 30.300 -0.338 0.000 0.861 223 R HN 0.784 nan 8.270 nan 0.000 0.440 224 H N 0.018 118.927 119.070 -0.268 0.000 2.293 224 H HA -0.064 4.492 4.556 0.000 0.000 0.300 224 H C 2.235 177.615 175.328 0.086 0.000 1.082 224 H CA 2.128 58.128 56.048 -0.080 0.000 1.308 224 H CB -0.073 29.684 29.762 -0.009 0.000 1.375 224 H HN 0.153 nan 8.280 nan 0.000 0.495 225 I N 0.149 120.857 120.570 0.231 0.000 2.151 225 I HA -0.284 3.886 4.170 0.000 0.000 0.243 225 I C 2.443 178.644 176.117 0.140 0.000 1.080 225 I CA 0.990 62.379 61.300 0.148 0.000 1.339 225 I CB -0.228 37.786 38.000 0.023 0.000 1.039 225 I HN 0.343 nan 8.210 nan 0.000 0.409 226 L N 0.178 121.456 121.223 0.092 0.000 2.017 226 L HA -0.269 4.071 4.340 0.000 0.000 0.208 226 L C 2.480 179.417 176.870 0.112 0.000 1.073 226 L CA 1.913 56.795 54.840 0.071 0.000 0.745 226 L CB -1.022 41.053 42.059 0.026 0.000 0.894 226 L HN 0.273 nan 8.230 nan 0.000 0.432 227 Y N 0.118 120.456 120.300 0.064 0.000 2.145 227 Y HA -0.227 4.324 4.550 0.000 0.000 0.286 227 Y C 2.372 178.347 175.900 0.126 0.000 1.145 227 Y CA 2.175 60.343 58.100 0.115 0.000 1.148 227 Y CB -0.577 38.026 38.460 0.237 0.000 0.981 227 Y HN 0.234 nan 8.280 nan 0.000 0.507 228 A N -0.525 122.466 122.820 0.284 0.000 1.902 228 A HA -0.182 4.138 4.320 0.000 0.000 0.217 228 A C 2.206 179.840 177.584 0.084 0.000 1.181 228 A CA 2.312 54.471 52.037 0.203 0.000 0.623 228 A CB -1.360 17.852 19.000 0.353 0.000 0.818 228 A HN 0.542 nan 8.150 nan 0.000 0.443 229 T N -0.219 114.389 114.554 0.089 0.000 2.737 229 T HA -0.123 4.227 4.350 0.000 0.000 0.265 229 T C 1.148 175.856 174.700 0.013 0.000 1.038 229 T CA 1.319 63.462 62.100 0.070 0.000 1.144 229 T CB -0.430 68.480 68.868 0.069 0.000 0.866 229 T HN 0.620 nan 8.240 nan 0.000 0.434 230 N N 1.856 120.534 118.700 -0.037 0.000 2.708 230 N HA -0.267 4.473 4.740 0.000 0.000 0.251 230 N C 0.025 175.513 175.510 -0.036 0.000 1.017 230 N CA 0.876 53.883 53.050 -0.073 0.000 0.742 230 N CB -2.159 36.238 38.487 -0.150 0.000 0.943 230 N HN 0.652 nan 8.380 nan 0.000 0.539 231 N N -1.670 117.022 118.700 -0.013 0.000 2.727 231 N HA -0.250 4.490 4.740 0.000 0.000 0.249 231 N C 0.915 176.418 175.510 -0.013 0.000 1.048 231 N CA 1.325 54.368 53.050 -0.011 0.000 0.714 231 N CB -1.230 37.247 38.487 -0.016 0.000 0.959 231 N HN 1.031 nan 8.380 nan 0.000 0.544 232 G N -0.076 108.726 108.800 0.003 0.000 2.313 232 G HA2 -0.306 3.654 3.960 0.000 0.000 0.215 232 G HA3 -0.306 3.654 3.960 0.000 0.000 0.215 232 G C 0.052 174.958 174.900 0.011 0.000 1.023 232 G CA 0.228 45.333 45.100 0.008 0.000 0.626 232 G HN 0.521 nan 8.290 nan 0.000 0.503 233 N N 2.330 121.020 118.700 -0.016 0.000 2.968 233 N HA 0.319 5.059 4.740 0.000 0.000 0.271 233 N C 0.834 176.336 175.510 -0.013 0.000 1.174 233 N CA -0.454 52.573 53.050 -0.038 0.000 1.096 233 N CB -0.456 37.998 38.487 -0.056 0.000 1.403 233 N HN 0.364 nan 8.380 nan 0.000 0.522 234 I N 1.782 122.381 120.570 0.049 0.000 2.826 234 I HA -0.082 4.088 4.170 0.000 0.000 0.295 234 I C 0.856 177.108 176.117 0.225 0.000 1.213 234 I CA 0.725 62.122 61.300 0.161 0.000 1.436 234 I CB -0.245 37.942 38.000 0.311 0.000 1.348 234 I HN 0.266 nan 8.210 nan 0.000 0.570 235 R N 3.806 124.410 120.500 0.174 0.000 2.599 235 R HA 0.401 4.741 4.340 0.000 0.000 0.295 235 R C -0.447 175.987 176.300 0.223 0.000 0.963 235 R CA -0.666 55.547 56.100 0.189 0.000 0.883 235 R CB 2.008 32.276 30.300 -0.053 0.000 1.171 235 R HN 0.553 nan 8.270 nan 0.000 0.450 236 S N 1.406 117.220 115.700 0.190 0.000 2.549 236 S HA 0.539 5.009 4.470 0.000 0.000 0.279 236 S C -0.379 174.235 174.600 0.024 0.000 1.321 236 S CA -0.273 57.939 58.200 0.020 0.000 1.054 236 S CB 1.305 64.434 63.200 -0.118 0.000 0.899 236 S HN 0.696 nan 8.310 nan 0.000 0.497 237 A N 2.795 125.589 122.820 -0.043 0.000 2.610 237 A HA 0.835 5.156 4.320 0.000 0.000 0.291 237 A C -1.357 176.145 177.584 -0.136 0.000 1.086 237 A CA -0.653 51.265 52.037 -0.199 0.000 0.677 237 A CB 1.153 19.975 19.000 -0.297 0.000 1.278 237 A HN 0.792 nan 8.150 nan 0.000 0.414 238 I N 0.176 120.629 120.570 -0.196 0.000 2.722 238 I HA 0.648 4.818 4.170 0.000 0.000 0.295 238 I C -1.212 174.923 176.117 0.030 0.000 1.161 238 I CA -0.155 61.184 61.300 0.064 0.000 1.032 238 I CB 2.471 40.463 38.000 -0.013 0.000 1.244 238 I HN 0.607 nan 8.210 nan 0.000 0.421 239 T N 6.066 120.726 114.554 0.177 0.000 2.786 239 T HA 0.434 4.784 4.350 0.000 0.000 0.283 239 T C -0.765 173.789 174.700 -0.243 0.000 0.992 239 T CA -0.355 61.733 62.100 -0.019 0.000 0.954 239 T CB 1.505 70.396 68.868 0.038 0.000 0.934 239 T HN 0.254 nan 8.240 nan 0.000 0.440 240 V N 5.144 124.839 119.914 -0.364 0.000 2.333 240 V HA 0.441 4.561 4.120 0.000 0.000 0.274 240 V C -0.235 175.584 176.094 -0.459 0.000 1.028 240 V CA -0.700 61.389 62.300 -0.351 0.000 0.851 240 V CB -0.178 31.396 31.823 -0.416 0.000 1.000 240 V HN 0.751 nan 8.190 nan 0.000 0.456 241 F N 5.272 125.175 119.950 -0.079 0.000 2.362 241 F HA 0.454 4.981 4.527 0.000 0.000 0.311 241 F C -1.706 174.016 175.800 -0.130 0.000 1.161 241 F CA -2.252 55.633 58.000 -0.192 0.000 1.085 241 F CB 0.425 39.324 39.000 -0.167 0.000 1.311 241 F HN 0.307 nan 8.300 nan 0.000 0.524 242 P HA -0.045 nan 4.420 nan 0.000 0.265 242 P C -1.185 176.153 177.300 0.062 0.000 1.187 242 P CA -0.046 62.979 63.100 -0.125 0.000 0.766 242 P CB 0.234 31.703 31.700 -0.385 0.000 0.820 243 Q N 2.952 122.726 119.800 -0.044 0.000 2.417 243 Q HA 0.165 4.505 4.340 0.000 0.000 0.241 243 Q C 0.088 175.996 176.000 -0.152 0.000 1.008 243 Q CA -0.681 54.885 55.803 -0.395 0.000 0.901 243 Q CB 0.790 28.994 28.738 -0.891 0.000 1.259 243 Q HN 0.324 nan 8.270 nan 0.000 0.489 244 R N 1.130 121.534 120.500 -0.160 0.000 2.489 244 R HA 0.008 4.348 4.340 0.000 0.000 0.287 244 R C 0.264 176.538 176.300 -0.044 0.000 1.053 244 R CA 0.742 56.823 56.100 -0.031 0.000 1.036 244 R CB 0.548 30.829 30.300 -0.032 0.000 0.966 244 R HN 0.945 nan 8.270 nan 0.000 0.432 245 S N 2.514 118.230 115.700 0.026 0.000 2.431 245 S HA -0.053 4.417 4.470 0.000 0.000 0.210 245 S C 0.778 175.398 174.600 0.034 0.000 1.013 245 S CA 0.477 58.686 58.200 0.015 0.000 0.920 245 S CB 0.033 63.244 63.200 0.019 0.000 0.882 245 S HN 0.841 nan 8.310 nan 0.000 0.567 246 D N -0.579 119.870 120.400 0.082 0.000 2.469 246 D HA 0.339 4.979 4.640 0.000 0.000 0.213 246 D C 1.331 177.672 176.300 0.068 0.000 1.135 246 D CA 0.597 54.643 54.000 0.077 0.000 0.834 246 D CB 0.021 40.883 40.800 0.103 0.000 1.009 246 D HN 0.753 nan 8.370 nan 0.000 0.507 247 G N 0.977 109.823 108.800 0.076 0.000 2.195 247 G HA2 -0.341 3.619 3.960 0.000 0.000 0.246 247 G HA3 -0.341 3.619 3.960 0.000 0.000 0.246 247 G C 1.045 175.960 174.900 0.025 0.000 0.984 247 G CA 0.390 45.516 45.100 0.042 0.000 0.633 247 G HN 0.418 nan 8.290 nan 0.000 0.525 248 K N -0.472 119.952 120.400 0.039 0.000 2.361 248 K HA 0.210 4.531 4.320 0.000 0.000 0.194 248 K C 0.598 176.994 176.600 -0.340 0.000 1.032 248 K CA 0.591 56.799 56.287 -0.131 0.000 1.048 248 K CB 0.226 32.628 32.500 -0.164 0.000 0.842 248 K HN 0.554 nan 8.250 nan 0.000 0.526 249 H N 0.461 119.541 119.070 0.017 0.000 2.528 249 H HA 0.186 4.742 4.556 0.000 0.000 0.256 249 H C -1.073 174.273 175.328 0.030 0.000 1.204 249 H CA -0.776 55.277 56.048 0.009 0.000 0.955 249 H CB 0.139 29.925 29.762 0.039 0.000 1.817 249 H HN -0.024 nan 8.280 nan 0.000 0.579 250 D N 0.461 120.916 120.400 0.091 0.000 2.414 250 D HA 0.026 4.666 4.640 0.000 0.000 0.242 250 D C -0.036 176.303 176.300 0.065 0.000 1.129 250 D CA 0.326 54.405 54.000 0.132 0.000 0.885 250 D CB 0.671 41.525 40.800 0.090 0.000 1.198 250 D HN 0.144 nan 8.370 nan 0.000 0.437 251 F N 2.185 122.181 119.950 0.077 0.000 2.408 251 F HA 0.382 4.909 4.527 0.000 0.000 0.344 251 F C 0.921 176.746 175.800 0.042 0.000 1.112 251 F CA -0.260 57.762 58.000 0.037 0.000 1.096 251 F CB 0.891 39.914 39.000 0.039 0.000 1.129 251 F HN -0.136 nan 8.300 nan 0.000 0.486 252 R N 3.526 124.113 120.500 0.146 0.000 2.626 252 R HA 0.495 4.835 4.340 0.000 0.000 0.274 252 R C -1.888 174.541 176.300 0.214 0.000 1.031 252 R CA -1.114 55.090 56.100 0.174 0.000 0.898 252 R CB 2.154 32.565 30.300 0.184 0.000 1.222 252 R HN 0.480 nan 8.270 nan 0.000 0.455 253 L N 1.806 123.142 121.223 0.189 0.000 2.280 253 L HA 0.359 4.699 4.340 0.000 0.000 0.287 253 L C 0.582 177.652 176.870 0.332 0.000 1.023 253 L CA -0.139 54.824 54.840 0.205 0.000 0.819 253 L CB 0.865 42.972 42.059 0.080 0.000 1.212 253 L HN 0.586 nan 8.230 nan 0.000 0.420 254 W N 0.759 122.125 121.300 0.110 0.000 2.595 254 W HA 0.007 4.668 4.660 0.000 0.000 0.257 254 W C 0.729 177.382 176.519 0.223 0.000 1.267 254 W CA -0.385 57.122 57.345 0.270 0.000 1.300 254 W CB -0.917 28.779 29.460 0.392 0.000 1.120 254 W HN 0.483 nan 8.180 nan 0.000 0.618 255 N N -0.517 118.318 118.700 0.225 0.000 2.482 255 N HA 0.033 4.773 4.740 0.000 0.000 0.260 255 N C 1.121 176.510 175.510 -0.202 0.000 1.236 255 N CA 0.440 53.358 53.050 -0.219 0.000 0.938 255 N CB 0.830 39.245 38.487 -0.120 0.000 1.128 255 N HN -0.291 nan 8.380 nan 0.000 0.448 256 S N 0.213 115.726 115.700 -0.313 0.000 2.406 256 S HA 0.008 4.478 4.470 0.000 0.000 0.224 256 S C 0.173 174.664 174.600 -0.183 0.000 1.030 256 S CA 0.981 59.070 58.200 -0.186 0.000 0.958 256 S CB 0.071 63.177 63.200 -0.157 0.000 0.811 256 S HN 0.549 nan 8.310 nan 0.000 0.489 257 Q N -0.716 118.960 119.800 -0.206 0.000 2.484 257 Q HA 0.489 4.829 4.340 0.000 0.000 0.285 257 Q C 0.168 176.034 176.000 -0.222 0.000 1.097 257 Q CA -0.616 55.064 55.803 -0.204 0.000 0.802 257 Q CB 0.908 29.558 28.738 -0.146 0.000 1.444 257 Q HN -0.062 nan 8.270 nan 0.000 0.429 258 L N 0.322 121.406 121.223 -0.232 0.000 2.056 258 L HA 0.125 4.465 4.340 0.000 0.000 0.207 258 L C 0.114 176.830 176.870 -0.257 0.000 1.078 258 L CA 1.549 56.261 54.840 -0.213 0.000 0.749 258 L CB 0.211 42.137 42.059 -0.222 0.000 0.901 258 L HN 0.566 nan 8.230 nan 0.000 0.433 259 I N -0.387 119.949 120.570 -0.389 0.000 2.406 259 I HA 0.448 4.618 4.170 0.000 0.000 0.290 259 I C -0.311 175.187 176.117 -1.032 0.000 0.999 259 I CA -0.518 60.373 61.300 -0.681 0.000 1.124 259 I CB 1.477 38.981 38.000 -0.827 0.000 1.289 259 I HN 0.064 nan 8.210 nan 0.000 0.441 260 R N 4.567 124.565 120.500 -0.837 0.000 2.594 260 R HA 0.492 4.832 4.340 0.000 0.000 0.265 260 R C -1.903 174.176 176.300 -0.368 0.000 1.070 260 R CA -0.630 55.121 56.100 -0.582 0.000 0.909 260 R CB 1.236 31.386 30.300 -0.250 0.000 1.243 260 R HN 0.283 nan 8.270 nan 0.000 0.455 261 Y N 1.322 121.621 120.300 -0.002 0.000 2.301 261 Y HA 0.649 5.199 4.550 0.000 0.000 0.325 261 Y C 0.888 176.800 175.900 0.020 0.000 1.203 261 Y CA -0.254 57.884 58.100 0.062 0.000 1.255 261 Y CB 1.350 39.935 38.460 0.208 0.000 1.232 261 Y HN 0.740 nan 8.280 nan 0.000 0.501 262 A N 1.103 124.005 122.820 0.136 0.000 2.287 262 A HA 0.710 5.030 4.320 0.000 0.000 0.273 262 A C 0.349 177.757 177.584 -0.293 0.000 1.091 262 A CA 0.105 52.049 52.037 -0.156 0.000 0.817 262 A CB -0.011 18.810 19.000 -0.299 0.000 1.069 262 A HN 0.893 nan 8.150 nan 0.000 0.492 263 G N -0.476 108.067 108.800 -0.428 0.000 2.590 263 G HA2 0.584 4.544 3.960 0.000 0.000 0.310 263 G HA3 0.584 4.544 3.960 0.000 0.000 0.310 263 G C -1.362 173.281 174.900 -0.428 0.000 1.347 263 G CA -0.257 44.642 45.100 -0.334 0.000 0.963 263 G HN 0.526 nan 8.290 nan 0.000 0.494 264 Y N 0.321 120.634 120.300 0.022 0.000 2.409 264 Y HA 0.475 5.025 4.550 0.000 0.000 0.343 264 Y C 0.261 176.200 175.900 0.066 0.000 0.973 264 Y CA -1.066 57.062 58.100 0.048 0.000 1.064 264 Y CB 2.693 41.198 38.460 0.075 0.000 1.207 264 Y HN 0.489 nan 8.280 nan 0.000 0.452 265 Q N 3.307 123.248 119.800 0.236 0.000 2.337 265 Q HA 0.336 4.676 4.340 0.000 0.000 0.255 265 Q C -0.952 175.152 176.000 0.172 0.000 0.997 265 Q CA -0.320 55.572 55.803 0.150 0.000 0.925 265 Q CB 0.519 29.320 28.738 0.105 0.000 1.212 265 Q HN 0.511 nan 8.270 nan 0.000 0.436 266 M N 5.171 124.848 119.600 0.127 0.000 2.227 266 M HA 0.254 4.734 4.480 0.000 0.000 0.316 266 M C -1.534 174.783 176.300 0.029 0.000 1.144 266 M CA -2.474 52.875 55.300 0.081 0.000 1.121 266 M CB -0.220 32.413 32.600 0.054 0.000 1.440 266 M HN 0.459 nan 8.290 nan 0.000 0.473 267 P HA -0.161 nan 4.420 nan 0.000 0.216 267 P C 0.518 177.808 177.300 -0.017 0.000 1.150 267 P CA 1.312 64.396 63.100 -0.028 0.000 0.837 267 P CB 0.001 31.662 31.700 -0.066 0.000 0.786 268 D N -1.905 118.485 120.400 -0.016 0.000 2.363 268 D HA 0.037 4.677 4.640 0.000 0.000 0.226 268 D C 1.450 177.750 176.300 -0.000 0.000 1.020 268 D CA 0.839 54.833 54.000 -0.011 0.000 0.892 268 D CB -0.798 39.993 40.800 -0.015 0.000 0.900 268 D HN 0.267 nan 8.370 nan 0.000 0.531 269 G N 0.059 108.864 108.800 0.009 0.000 2.258 269 G HA2 -0.281 3.679 3.960 0.000 0.000 0.233 269 G HA3 -0.281 3.679 3.960 0.000 0.000 0.233 269 G C 0.581 175.493 174.900 0.021 0.000 1.006 269 G CA 0.447 45.556 45.100 0.015 0.000 0.620 269 G HN 0.811 nan 8.290 nan 0.000 0.511 270 T N 0.103 114.669 114.554 0.020 0.000 2.868 270 T HA 0.648 4.998 4.350 0.000 0.000 0.292 270 T C 0.410 175.133 174.700 0.038 0.000 1.028 270 T CA -0.456 61.658 62.100 0.023 0.000 1.059 270 T CB 1.559 70.437 68.868 0.017 0.000 0.991 270 T HN 0.426 nan 8.240 nan 0.000 0.531 271 I N 1.735 122.322 120.570 0.029 0.000 2.359 271 I HA 0.444 4.614 4.170 0.000 0.000 0.294 271 I C 0.486 176.619 176.117 0.026 0.000 0.987 271 I CA -0.629 60.691 61.300 0.033 0.000 1.225 271 I CB 1.391 39.392 38.000 0.002 0.000 1.366 271 I HN 0.803 nan 8.210 nan 0.000 0.466 272 R N 3.506 124.054 120.500 0.081 0.000 2.514 272 R HA 0.633 4.973 4.340 0.000 0.000 0.301 272 R C 0.332 176.658 176.300 0.043 0.000 0.962 272 R CA 0.273 56.422 56.100 0.083 0.000 0.882 272 R CB 1.533 31.939 30.300 0.177 0.000 1.143 272 R HN 0.912 nan 8.270 nan 0.000 0.452 273 G N 2.745 111.489 108.800 -0.093 0.000 2.499 273 G HA2 -0.272 3.688 3.960 0.000 0.000 0.232 273 G HA3 -0.272 3.688 3.960 0.000 0.000 0.232 273 G C -1.047 173.550 174.900 -0.506 0.000 1.251 273 G CA -0.005 44.990 45.100 -0.174 0.000 0.917 273 G HN 0.657 nan 8.290 nan 0.000 0.580 274 D N 1.859 122.111 120.400 -0.247 0.000 2.402 274 D HA 0.553 5.193 4.640 0.000 0.000 0.235 274 D C 1.596 177.821 176.300 -0.126 0.000 1.226 274 D CA 0.896 54.772 54.000 -0.206 0.000 0.918 274 D CB 0.593 41.555 40.800 0.270 0.000 1.043 274 D HN 0.941 nan 8.370 nan 0.000 0.506 275 A N 3.721 126.437 122.820 -0.173 0.000 2.084 275 A HA -0.156 4.164 4.320 0.000 0.000 0.221 275 A C 2.017 179.594 177.584 -0.010 0.000 1.161 275 A CA 1.792 53.785 52.037 -0.074 0.000 0.653 275 A CB -0.196 18.767 19.000 -0.062 0.000 0.802 275 A HN 0.591 nan 8.150 nan 0.000 0.457 276 A N -0.628 122.208 122.820 0.026 0.000 2.119 276 A HA 0.095 4.415 4.320 0.000 0.000 0.216 276 A C 1.919 179.537 177.584 0.056 0.000 1.152 276 A CA 1.730 53.803 52.037 0.059 0.000 0.708 276 A CB -0.720 18.339 19.000 0.099 0.000 0.805 276 A HN 0.767 nan 8.150 nan 0.000 0.460 277 T N -2.908 111.672 114.554 0.042 0.000 3.214 277 T HA 0.401 4.751 4.350 0.000 0.000 0.264 277 T C 1.310 176.017 174.700 0.011 0.000 1.012 277 T CA -0.101 62.025 62.100 0.043 0.000 0.901 277 T CB -0.365 68.531 68.868 0.047 0.000 1.070 277 T HN 0.215 nan 8.240 nan 0.000 0.561 278 L N 0.769 121.989 121.223 -0.005 0.000 1.971 278 L HA -0.123 4.217 4.340 0.000 0.000 0.215 278 L C 2.942 179.802 176.870 -0.017 0.000 1.072 278 L CA 2.170 56.999 54.840 -0.020 0.000 0.758 278 L CB -0.487 41.573 42.059 0.001 0.000 0.889 278 L HN 0.405 nan 8.230 nan 0.000 0.433 279 E N -0.298 119.901 120.200 -0.002 0.000 2.058 279 E HA -0.285 4.065 4.350 0.000 0.000 0.194 279 E C 2.153 178.692 176.600 -0.101 0.000 0.997 279 E CA 1.507 57.884 56.400 -0.039 0.000 0.801 279 E CB -0.153 29.537 29.700 -0.018 0.000 0.746 279 E HN 0.360 nan 8.360 nan 0.000 0.450 280 F N 1.068 120.886 119.950 -0.220 0.000 2.234 280 F HA -0.142 4.385 4.527 0.000 0.000 0.299 280 F C 2.271 177.945 175.800 -0.210 0.000 1.087 280 F CA 1.685 59.516 58.000 -0.280 0.000 1.340 280 F CB -0.343 38.514 39.000 -0.238 0.000 1.031 280 F HN -0.012 nan 8.300 nan 0.000 0.500 281 T N -0.321 114.172 114.554 -0.102 0.000 2.708 281 T HA -0.263 4.087 4.350 0.000 0.000 0.266 281 T C 1.764 176.387 174.700 -0.128 0.000 1.037 281 T CA 1.642 63.645 62.100 -0.162 0.000 1.146 281 T CB -0.350 68.419 68.868 -0.165 0.000 0.865 281 T HN 0.219 nan 8.240 nan 0.000 0.435 282 Q N 0.706 120.445 119.800 -0.102 0.000 2.135 282 Q HA -0.062 4.278 4.340 0.000 0.000 0.204 282 Q C 2.092 178.013 176.000 -0.132 0.000 0.981 282 Q CA 1.210 56.974 55.803 -0.065 0.000 0.856 282 Q CB -0.752 27.957 28.738 -0.049 0.000 0.902 282 Q HN 0.427 nan 8.270 nan 0.000 0.425 283 L N -0.445 120.620 121.223 -0.264 0.000 2.017 283 L HA -0.178 4.162 4.340 0.000 0.000 0.208 283 L C 2.166 178.853 176.870 -0.304 0.000 1.073 283 L CA 1.855 56.508 54.840 -0.312 0.000 0.745 283 L CB -0.983 40.782 42.059 -0.490 0.000 0.894 283 L HN 0.387 nan 8.230 nan 0.000 0.432 284 C N -0.484 118.564 119.300 -0.420 0.000 2.413 284 C HA -0.148 4.312 4.460 0.000 0.000 0.277 284 C C 2.732 177.728 174.990 0.009 0.000 1.265 284 C CA 0.897 59.739 59.018 -0.293 0.000 1.752 284 C CB -0.994 26.468 27.740 -0.463 0.000 1.998 284 C HN 0.583 nan 8.230 nan 0.000 0.489 285 I N 1.048 121.663 120.570 0.075 0.000 2.252 285 I HA -0.176 3.994 4.170 0.000 0.000 0.245 285 I C 2.051 178.173 176.117 0.008 0.000 1.102 285 I CA 1.521 62.888 61.300 0.111 0.000 1.385 285 I CB -0.538 37.522 38.000 0.099 0.000 1.064 285 I HN 0.302 nan 8.210 nan 0.000 0.414 286 D N 0.807 121.180 120.400 -0.046 0.000 2.178 286 D HA -0.108 4.532 4.640 0.000 0.000 0.201 286 D C 2.096 178.342 176.300 -0.090 0.000 0.980 286 D CA 1.191 55.145 54.000 -0.077 0.000 0.842 286 D CB -0.141 40.596 40.800 -0.106 0.000 0.948 286 D HN 0.337 nan 8.370 nan 0.000 0.472 287 L N -1.025 120.146 121.223 -0.087 0.000 2.591 287 L HA 0.221 4.561 4.340 0.000 0.000 0.228 287 L C 1.663 178.488 176.870 -0.074 0.000 1.133 287 L CA 0.513 55.297 54.840 -0.093 0.000 0.880 287 L CB 0.151 42.137 42.059 -0.123 0.000 1.033 287 L HN 0.177 nan 8.230 nan 0.000 0.450 288 G N -1.529 107.250 108.800 -0.035 0.000 2.380 288 G HA2 -0.264 3.696 3.960 0.000 0.000 0.197 288 G HA3 -0.264 3.696 3.960 0.000 0.000 0.197 288 G C -0.110 174.802 174.900 0.020 0.000 1.001 288 G CA -0.469 44.612 45.100 -0.031 0.000 0.668 288 G HN 0.195 nan 8.290 nan 0.000 0.483 289 W N 4.313 125.535 121.300 -0.129 0.000 2.231 289 W HA 0.551 5.211 4.660 0.000 0.000 0.341 289 W C 0.092 176.568 176.519 -0.071 0.000 1.298 289 W CA 0.170 57.453 57.345 -0.104 0.000 1.266 289 W CB 0.665 30.059 29.460 -0.110 0.000 1.172 289 W HN -0.068 nan 8.180 nan 0.000 0.568 290 K N 8.313 128.230 120.400 -0.806 0.000 2.253 290 K HA 0.263 4.583 4.320 0.000 0.000 0.277 290 K C -2.337 173.499 176.600 -1.274 0.000 1.053 290 K CA -2.001 53.835 56.287 -0.753 0.000 0.892 290 K CB 0.583 32.802 32.500 -0.467 0.000 1.102 290 K HN 0.322 nan 8.250 nan 0.000 0.469 291 P HA 0.180 nan 4.420 nan 0.000 0.271 291 P C -0.146 176.736 177.300 -0.698 0.000 1.220 291 P CA -0.150 62.428 63.100 -0.871 0.000 0.768 291 P CB 0.780 32.038 31.700 -0.736 0.000 0.848 292 R N 1.899 122.077 120.500 -0.536 0.000 2.362 292 R HA 0.106 4.446 4.340 0.000 0.000 0.227 292 R C 0.078 176.260 176.300 -0.197 0.000 0.905 292 R CA -0.327 55.634 56.100 -0.232 0.000 1.067 292 R CB -0.350 29.911 30.300 -0.066 0.000 1.078 292 R HN 0.445 nan 8.270 nan 0.000 0.516 293 Y N -0.003 119.853 120.300 -0.740 0.000 3.396 293 Y HA -0.291 4.259 4.550 0.000 0.000 0.214 293 Y C 0.938 176.684 175.900 -0.255 0.000 1.203 293 Y CA 0.558 58.126 58.100 -0.888 0.000 1.401 293 Y CB -1.917 36.201 38.460 -0.570 0.000 1.409 293 Y HN 0.235 nan 8.280 nan 0.000 0.594 294 G N -0.436 108.421 108.800 0.094 0.000 2.521 294 G HA2 0.540 4.500 3.960 0.000 0.000 0.323 294 G HA3 0.540 4.500 3.960 0.000 0.000 0.323 294 G C 0.593 175.579 174.900 0.144 0.000 1.211 294 G CA -0.903 44.279 45.100 0.137 0.000 0.979 294 G HN 0.283 nan 8.290 nan 0.000 0.490 295 R N -1.149 119.329 120.500 -0.038 0.000 2.153 295 R HA 0.072 4.412 4.340 0.000 0.000 0.218 295 R C -0.157 175.695 176.300 -0.745 0.000 1.072 295 R CA 0.895 56.771 56.100 -0.372 0.000 0.990 295 R CB 0.013 29.952 30.300 -0.600 0.000 0.889 295 R HN 0.390 nan 8.270 nan 0.000 0.452 296 F N 0.821 120.726 119.950 -0.074 0.000 2.564 296 F HA 0.253 4.780 4.527 0.000 0.000 0.329 296 F C -0.857 174.877 175.800 -0.109 0.000 1.458 296 F CA -1.221 56.461 58.000 -0.530 0.000 1.117 296 F CB 0.672 39.160 39.000 -0.853 0.000 1.383 296 F HN -0.300 nan 8.300 nan 0.000 0.571 297 D N 1.702 122.273 120.400 0.286 0.000 2.313 297 D HA 0.198 4.838 4.640 0.000 0.000 0.239 297 D C 0.161 176.735 176.300 0.455 0.000 1.142 297 D CA 0.027 54.272 54.000 0.409 0.000 0.847 297 D CB 2.268 43.373 40.800 0.509 0.000 1.082 297 D HN -0.018 nan 8.370 nan 0.000 0.480 298 V N 4.097 124.251 119.914 0.401 0.000 2.485 298 V HA -0.027 4.093 4.120 0.000 0.000 0.287 298 V C 1.073 177.199 176.094 0.053 0.000 1.022 298 V CA -0.185 62.229 62.300 0.190 0.000 1.067 298 V CB -0.030 31.858 31.823 0.108 0.000 0.967 298 V HN 0.348 nan 8.190 nan 0.000 0.479 299 L N 8.623 129.771 121.223 -0.124 0.000 2.473 299 L HA 0.275 4.615 4.340 0.000 0.000 0.268 299 L C -1.680 174.987 176.870 -0.337 0.000 1.215 299 L CA -1.131 53.479 54.840 -0.383 0.000 0.823 299 L CB 0.462 42.373 42.059 -0.247 0.000 1.099 299 L HN 0.475 nan 8.230 nan 0.000 0.483 300 P HA 0.216 nan 4.420 nan 0.000 0.282 300 P C -1.095 176.145 177.300 -0.101 0.000 1.259 300 P CA -0.602 62.323 63.100 -0.292 0.000 0.826 300 P CB 1.017 32.433 31.700 -0.473 0.000 1.064 301 L N 1.354 122.596 121.223 0.030 0.000 2.360 301 L HA 0.214 4.554 4.340 0.000 0.000 0.276 301 L C 0.262 177.202 176.870 0.116 0.000 1.121 301 L CA -0.613 54.293 54.840 0.110 0.000 0.845 301 L CB 0.760 42.932 42.059 0.190 0.000 1.143 301 L HN 0.096 nan 8.230 nan 0.000 0.452 302 V N 6.159 126.150 119.914 0.129 0.000 2.277 302 V HA 0.310 4.430 4.120 0.000 0.000 0.269 302 V C 0.177 176.269 176.094 -0.003 0.000 1.036 302 V CA -0.298 62.014 62.300 0.019 0.000 0.821 302 V CB 0.910 32.773 31.823 0.066 0.000 1.052 302 V HN 0.495 nan 8.190 nan 0.000 0.462 303 L N 4.746 125.967 121.223 -0.003 0.000 2.295 303 L HA 0.607 4.947 4.340 0.000 0.000 0.285 303 L C -0.011 176.766 176.870 -0.154 0.000 1.035 303 L CA -0.324 54.502 54.840 -0.022 0.000 0.806 303 L CB 1.604 43.691 42.059 0.046 0.000 1.214 303 L HN 0.592 nan 8.230 nan 0.000 0.426 304 Q N 3.092 122.805 119.800 -0.145 0.000 2.348 304 Q HA 0.703 5.043 4.340 0.000 0.000 0.265 304 Q C -1.384 174.479 176.000 -0.228 0.000 0.998 304 Q CA -0.577 55.113 55.803 -0.187 0.000 0.831 304 Q CB 1.959 30.695 28.738 -0.005 0.000 1.251 304 Q HN 0.781 nan 8.270 nan 0.000 0.456 305 A N 3.704 126.322 122.820 -0.337 0.000 2.342 305 A HA 0.445 4.765 4.320 0.000 0.000 0.323 305 A C -0.208 176.929 177.584 -0.745 0.000 1.125 305 A CA -0.201 51.391 52.037 -0.743 0.000 0.785 305 A CB 1.142 19.918 19.000 -0.374 0.000 1.221 305 A HN 1.022 nan 8.150 nan 0.000 0.463 306 D N 1.006 120.649 120.400 -1.262 0.000 2.811 306 D HA -0.138 4.502 4.640 0.000 0.000 0.231 306 D C 1.204 177.393 176.300 -0.185 0.000 1.157 306 D CA 2.801 56.528 54.000 -0.455 0.000 0.716 306 D CB -1.065 39.650 40.800 -0.142 0.000 1.077 306 D HN 2.159 nan 8.370 nan 0.000 0.428 307 G N -1.314 107.356 108.800 -0.216 0.000 2.184 307 G HA2 -0.401 3.559 3.960 0.000 0.000 0.264 307 G HA3 -0.401 3.559 3.960 0.000 0.000 0.264 307 G C 0.380 175.246 174.900 -0.056 0.000 0.975 307 G CA 0.796 45.824 45.100 -0.120 0.000 0.642 307 G HN 0.618 nan 8.290 nan 0.000 0.536 308 Q N 0.531 120.278 119.800 -0.087 0.000 2.316 308 Q HA 0.474 4.814 4.340 0.000 0.000 0.215 308 Q C 0.118 176.085 176.000 -0.056 0.000 1.020 308 Q CA -0.596 55.185 55.803 -0.037 0.000 0.970 308 Q CB 0.500 29.207 28.738 -0.052 0.000 1.187 308 Q HN 0.296 nan 8.270 nan 0.000 0.546 309 D N 2.363 122.744 120.400 -0.032 0.000 2.506 309 D HA 0.002 4.642 4.640 0.000 0.000 0.234 309 D C -2.150 173.938 176.300 -0.355 0.000 1.143 309 D CA -0.583 53.307 54.000 -0.183 0.000 0.871 309 D CB 0.024 40.864 40.800 0.067 0.000 1.190 309 D HN 0.242 nan 8.370 nan 0.000 0.459 310 P HA 0.110 nan 4.420 nan 0.000 0.271 310 P C -0.647 176.413 177.300 -0.399 0.000 1.216 310 P CA -0.107 62.562 63.100 -0.718 0.000 0.776 310 P CB 1.020 31.808 31.700 -1.521 0.000 0.881 311 E N 0.810 120.847 120.200 -0.271 0.000 2.212 311 E HA 0.395 4.745 4.350 0.000 0.000 0.268 311 E C -0.592 175.790 176.600 -0.362 0.000 0.902 311 E CA -1.220 55.008 56.400 -0.286 0.000 0.779 311 E CB 2.000 31.565 29.700 -0.226 0.000 1.172 311 E HN 0.163 nan 8.360 nan 0.000 0.409 312 V N 2.840 122.444 119.914 -0.517 0.000 2.607 312 V HA 0.357 4.477 4.120 0.000 0.000 0.289 312 V C -0.666 174.947 176.094 -0.803 0.000 1.053 312 V CA -0.189 61.847 62.300 -0.439 0.000 0.996 312 V CB 0.146 31.807 31.823 -0.270 0.000 0.995 312 V HN 0.517 nan 8.190 nan 0.000 0.476 313 F N 1.513 121.303 119.950 -0.267 0.000 2.653 313 F HA 0.352 4.879 4.527 0.000 0.000 0.327 313 F C 0.264 175.907 175.800 -0.261 0.000 1.195 313 F CA -0.644 57.075 58.000 -0.468 0.000 0.993 313 F CB 1.383 39.772 39.000 -1.019 0.000 1.259 313 F HN 0.387 nan 8.300 nan 0.000 0.478 314 E N 3.691 123.904 120.200 0.022 0.000 2.376 314 E HA 0.216 4.566 4.350 0.000 0.000 0.266 314 E C -0.054 176.689 176.600 0.237 0.000 1.009 314 E CA 0.007 56.500 56.400 0.154 0.000 0.902 314 E CB 1.234 31.058 29.700 0.207 0.000 0.972 314 E HN 0.535 nan 8.360 nan 0.000 0.439 315 I N 5.531 126.239 120.570 0.230 0.000 2.471 315 I HA 0.062 4.232 4.170 0.000 0.000 0.286 315 I C -1.971 174.274 176.117 0.213 0.000 1.079 315 I CA -1.832 59.624 61.300 0.261 0.000 1.398 315 I CB 0.425 38.507 38.000 0.136 0.000 1.403 315 I HN 0.118 nan 8.210 nan 0.000 0.530 316 P HA 0.077 nan 4.420 nan 0.000 0.265 316 P C -1.999 175.365 177.300 0.107 0.000 1.222 316 P CA -0.852 62.340 63.100 0.153 0.000 0.767 316 P CB 0.228 32.002 31.700 0.123 0.000 0.801 317 P HA -0.248 nan 4.420 nan 0.000 0.218 317 P C 0.960 178.301 177.300 0.069 0.000 1.154 317 P CA 1.475 64.630 63.100 0.092 0.000 0.872 317 P CB -0.026 31.730 31.700 0.094 0.000 0.790 318 D N -1.022 119.413 120.400 0.059 0.000 2.221 318 D HA -0.113 4.527 4.640 0.000 0.000 0.204 318 D C 1.818 178.140 176.300 0.037 0.000 0.982 318 D CA 0.981 55.007 54.000 0.043 0.000 0.857 318 D CB -0.308 40.513 40.800 0.035 0.000 0.934 318 D HN 0.260 nan 8.370 nan 0.000 0.475 319 L N 0.366 121.612 121.223 0.038 0.000 2.395 319 L HA -0.003 4.337 4.340 0.000 0.000 0.218 319 L C 0.701 177.592 176.870 0.035 0.000 1.130 319 L CA 0.199 55.056 54.840 0.029 0.000 0.826 319 L CB 0.286 42.354 42.059 0.014 0.000 0.941 319 L HN -0.215 nan 8.230 nan 0.000 0.451 320 V N 2.228 122.169 119.914 0.044 0.000 2.322 320 V HA 0.129 4.249 4.120 0.000 0.000 0.258 320 V C 0.031 176.162 176.094 0.062 0.000 1.074 320 V CA -0.453 61.876 62.300 0.048 0.000 0.909 320 V CB 1.086 32.937 31.823 0.047 0.000 1.090 320 V HN 0.050 nan 8.190 nan 0.000 0.486 321 L N 6.034 127.295 121.223 0.064 0.000 2.331 321 L HA 0.487 4.827 4.340 0.000 0.000 0.278 321 L C 0.154 177.061 176.870 0.061 0.000 1.106 321 L CA 0.707 55.577 54.840 0.049 0.000 0.824 321 L CB 0.621 42.703 42.059 0.038 0.000 1.142 321 L HN 0.660 nan 8.230 nan 0.000 0.443 322 E N 3.291 123.505 120.200 0.023 0.000 2.320 322 E HA 0.630 4.980 4.350 0.000 0.000 0.264 322 E C -1.479 175.060 176.600 -0.102 0.000 0.923 322 E CA -1.087 55.319 56.400 0.009 0.000 0.796 322 E CB 2.468 32.201 29.700 0.055 0.000 1.262 322 E HN 0.366 nan 8.360 nan 0.000 0.428 323 V N 1.518 121.336 119.914 -0.159 0.000 2.444 323 V HA 0.242 4.362 4.120 0.000 0.000 0.294 323 V C -0.337 175.697 176.094 -0.100 0.000 1.022 323 V CA -0.717 61.433 62.300 -0.250 0.000 0.850 323 V CB 1.869 33.299 31.823 -0.656 0.000 0.992 323 V HN 0.689 nan 8.190 nan 0.000 0.426 324 T N 6.758 121.271 114.554 -0.068 0.000 2.794 324 T HA 0.339 4.689 4.350 0.000 0.000 0.296 324 T C 0.206 174.940 174.700 0.057 0.000 0.949 324 T CA -0.349 61.744 62.100 -0.010 0.000 1.101 324 T CB 0.371 69.236 68.868 -0.004 0.000 0.905 324 T HN 0.355 nan 8.240 nan 0.000 0.516 325 M N 4.026 123.710 119.600 0.140 0.000 2.146 325 M HA 0.325 4.805 4.480 0.000 0.000 0.352 325 M C 0.383 176.881 176.300 0.331 0.000 1.343 325 M CA 0.251 55.714 55.300 0.272 0.000 1.115 325 M CB -0.198 32.672 32.600 0.450 0.000 1.657 325 M HN 0.627 nan 8.290 nan 0.000 0.471 326 E N 1.073 121.411 120.200 0.230 0.000 2.343 326 E HA 0.374 4.724 4.350 0.000 0.000 0.270 326 E C -1.097 175.525 176.600 0.037 0.000 0.895 326 E CA -0.738 55.793 56.400 0.218 0.000 0.767 326 E CB 2.693 32.498 29.700 0.175 0.000 1.248 326 E HN 0.515 nan 8.360 nan 0.000 0.440 327 H N 3.217 122.183 119.070 -0.173 0.000 2.472 327 H HA 0.226 4.782 4.556 0.000 0.000 0.338 327 H C -1.852 173.219 175.328 -0.428 0.000 1.133 327 H CA -2.326 53.462 56.048 -0.433 0.000 1.216 327 H CB 1.814 31.262 29.762 -0.523 0.000 1.497 327 H HN 0.341 nan 8.280 nan 0.000 0.500 328 P HA -0.078 nan 4.420 nan 0.000 0.226 328 P C 0.589 177.680 177.300 -0.348 0.000 1.153 328 P CA 0.950 63.534 63.100 -0.859 0.000 0.777 328 P CB 0.798 31.836 31.700 -1.105 0.000 0.794 329 K N -1.323 119.017 120.400 -0.100 0.000 2.424 329 K HA 0.136 4.456 4.320 0.000 0.000 0.200 329 K C 0.698 177.174 176.600 -0.207 0.000 1.279 329 K CA 0.297 56.474 56.287 -0.183 0.000 0.918 329 K CB -0.091 32.198 32.500 -0.352 0.000 1.287 329 K HN 0.257 nan 8.250 nan 0.000 0.502 330 Y N 2.665 122.839 120.300 -0.209 0.000 2.504 330 Y HA 0.128 4.678 4.550 0.000 0.000 0.351 330 Y C 1.364 176.983 175.900 -0.469 0.000 0.988 330 Y CA -0.392 57.330 58.100 -0.629 0.000 1.239 330 Y CB 0.745 38.326 38.460 -1.465 0.000 1.128 330 Y HN 0.047 nan 8.280 nan 0.000 0.525 331 E N 3.946 124.098 120.200 -0.080 0.000 2.204 331 E HA -0.177 4.173 4.350 0.000 0.000 0.194 331 E C 1.468 178.116 176.600 0.079 0.000 0.989 331 E CA 0.994 57.410 56.400 0.026 0.000 0.824 331 E CB -0.032 29.719 29.700 0.085 0.000 0.756 331 E HN 0.884 nan 8.360 nan 0.000 0.477 332 W N -0.194 121.205 121.300 0.165 0.000 2.699 332 W HA -0.049 4.611 4.660 0.000 0.000 0.249 332 W C 1.311 177.889 176.519 0.098 0.000 1.280 332 W CA -0.205 57.196 57.345 0.093 0.000 1.345 332 W CB -0.766 28.708 29.460 0.023 0.000 1.128 332 W HN -0.044 nan 8.180 nan 0.000 0.642 333 F N 3.401 123.209 119.950 -0.237 0.000 2.134 333 F HA -0.265 4.262 4.527 0.000 0.000 0.299 333 F C 3.008 178.854 175.800 0.077 0.000 1.097 333 F CA 3.059 60.983 58.000 -0.128 0.000 1.264 333 F CB -0.431 38.418 39.000 -0.252 0.000 1.001 333 F HN -0.017 nan 8.300 nan 0.000 0.479 334 Q N -0.073 119.871 119.800 0.240 0.000 2.364 334 Q HA -0.202 4.138 4.340 0.000 0.000 0.207 334 Q C 1.374 177.435 176.000 0.102 0.000 0.970 334 Q CA 1.685 57.592 55.803 0.174 0.000 0.888 334 Q CB -0.751 28.078 28.738 0.152 0.000 0.951 334 Q HN 0.519 nan 8.270 nan 0.000 0.469 335 E N 0.823 121.093 120.200 0.117 0.000 2.478 335 E HA -0.042 4.308 4.350 0.000 0.000 0.198 335 E C 1.626 178.255 176.600 0.048 0.000 1.046 335 E CA 0.418 56.877 56.400 0.097 0.000 0.870 335 E CB 0.011 29.793 29.700 0.137 0.000 0.818 335 E HN 0.451 nan 8.360 nan 0.000 0.527 336 L N -0.340 120.875 121.223 -0.012 0.000 2.395 336 L HA 0.059 4.399 4.340 0.000 0.000 0.218 336 L C 1.460 178.321 176.870 -0.015 0.000 1.130 336 L CA 0.427 55.221 54.840 -0.077 0.000 0.826 336 L CB -0.247 41.639 42.059 -0.288 0.000 0.941 336 L HN 0.233 nan 8.230 nan 0.000 0.451 337 G N 1.060 109.872 108.800 0.021 0.000 2.249 337 G HA2 -0.282 3.678 3.960 0.000 0.000 0.273 337 G HA3 -0.282 3.678 3.960 0.000 0.000 0.273 337 G C 0.066 175.024 174.900 0.096 0.000 1.036 337 G CA 0.034 45.178 45.100 0.074 0.000 0.824 337 G HN 0.236 nan 8.290 nan 0.000 0.504 338 L N -0.650 120.572 121.223 -0.002 0.000 2.379 338 L HA 0.803 5.143 4.340 0.000 0.000 0.269 338 L C 0.679 177.444 176.870 -0.176 0.000 1.084 338 L CA -0.410 54.374 54.840 -0.094 0.000 0.802 338 L CB 1.571 43.478 42.059 -0.253 0.000 1.175 338 L HN 0.534 nan 8.230 nan 0.000 0.448 339 K N 0.511 120.675 120.400 -0.393 0.000 2.615 339 K HA 0.466 4.786 4.320 0.000 0.000 0.291 339 K C -2.101 174.543 176.600 0.072 0.000 1.017 339 K CA -1.070 55.098 56.287 -0.199 0.000 0.882 339 K CB 1.987 34.263 32.500 -0.374 0.000 1.522 339 K HN 0.575 nan 8.250 nan 0.000 0.412 340 W N 1.785 123.060 121.300 -0.041 0.000 3.137 340 W HA 0.340 5.000 4.660 0.000 0.000 0.324 340 W C -1.235 175.310 176.519 0.043 0.000 1.253 340 W CA -0.803 56.565 57.345 0.038 0.000 1.183 340 W CB 1.633 30.993 29.460 -0.167 0.000 1.424 340 W HN 0.687 nan 8.180 nan 0.000 0.566 341 Y N 0.916 121.114 120.300 -0.169 0.000 2.326 341 Y HA 0.505 5.055 4.550 0.000 0.000 0.333 341 Y C 0.784 176.872 175.900 0.314 0.000 1.240 341 Y CA 0.126 58.212 58.100 -0.023 0.000 1.365 341 Y CB 0.166 38.488 38.460 -0.231 0.000 1.289 341 Y HN 0.336 nan 8.280 nan 0.000 0.548 342 A N 2.191 125.253 122.820 0.402 0.000 2.132 342 A HA 0.143 4.463 4.320 0.000 0.000 0.213 342 A C 0.336 178.280 177.584 0.600 0.000 1.154 342 A CA 0.069 52.413 52.037 0.512 0.000 0.753 342 A CB -0.200 18.940 19.000 0.234 0.000 0.826 342 A HN 0.654 nan 8.150 nan 0.000 0.469 343 L N 2.127 123.645 121.223 0.490 0.000 2.262 343 L HA 0.423 4.763 4.340 0.000 0.000 0.288 343 L C -2.579 174.420 176.870 0.215 0.000 1.035 343 L CA -2.200 52.820 54.840 0.301 0.000 0.820 343 L CB 1.478 43.642 42.059 0.175 0.000 1.204 343 L HN -0.044 nan 8.230 nan 0.000 0.424 344 P HA 0.388 nan 4.420 nan 0.000 0.295 344 P C -1.509 175.668 177.300 -0.205 0.000 1.354 344 P CA -0.346 62.539 63.100 -0.358 0.000 0.814 344 P CB 1.421 32.553 31.700 -0.947 0.000 0.935 345 A N 4.197 126.911 122.820 -0.177 0.000 2.385 345 A HA 0.461 4.781 4.320 0.000 0.000 0.290 345 A C -0.483 176.880 177.584 -0.369 0.000 1.094 345 A CA -0.671 51.209 52.037 -0.262 0.000 0.729 345 A CB 1.264 20.125 19.000 -0.231 0.000 1.194 345 A HN 0.280 nan 8.150 nan 0.000 0.442 346 V N 2.519 122.060 119.914 -0.621 0.000 2.455 346 V HA 0.380 4.500 4.120 0.000 0.000 0.273 346 V C 1.241 176.920 176.094 -0.691 0.000 1.045 346 V CA 0.855 62.731 62.300 -0.707 0.000 0.976 346 V CB 0.823 32.012 31.823 -1.056 0.000 0.993 346 V HN 1.122 nan 8.190 nan 0.000 0.475 347 A N 4.248 126.833 122.820 -0.391 0.000 2.140 347 A HA 0.082 4.402 4.320 0.000 0.000 0.209 347 A C 1.399 178.894 177.584 -0.148 0.000 1.181 347 A CA 0.539 52.422 52.037 -0.257 0.000 0.824 347 A CB -0.182 18.713 19.000 -0.174 0.000 0.879 347 A HN 0.922 nan 8.150 nan 0.000 0.480 348 N N -1.290 117.329 118.700 -0.136 0.000 2.214 348 N HA 0.269 5.009 4.740 0.000 0.000 0.214 348 N C 0.209 175.723 175.510 0.007 0.000 1.132 348 N CA -0.256 52.766 53.050 -0.047 0.000 0.856 348 N CB 0.121 38.579 38.487 -0.049 0.000 1.020 348 N HN 0.309 nan 8.380 nan 0.000 0.509 349 M N 1.126 120.726 119.600 -0.001 0.000 2.283 349 M HA 0.321 4.801 4.480 0.000 0.000 0.314 349 M C -0.526 175.886 176.300 0.186 0.000 1.153 349 M CA -0.738 54.625 55.300 0.105 0.000 1.084 349 M CB 1.971 34.632 32.600 0.102 0.000 1.468 349 M HN 0.125 nan 8.290 nan 0.000 0.474 350 L N 2.347 123.721 121.223 0.251 0.000 2.313 350 L HA 0.508 4.848 4.340 0.000 0.000 0.283 350 L C -1.407 175.691 176.870 0.380 0.000 1.013 350 L CA -0.999 54.016 54.840 0.291 0.000 0.816 350 L CB 1.337 43.537 42.059 0.235 0.000 1.236 350 L HN 0.565 nan 8.230 nan 0.000 0.419 351 L N 5.247 126.701 121.223 0.385 0.000 2.261 351 L HA 0.415 4.755 4.340 0.000 0.000 0.289 351 L C -0.296 176.744 176.870 0.283 0.000 1.059 351 L CA 0.368 55.394 54.840 0.309 0.000 0.816 351 L CB 0.837 43.059 42.059 0.272 0.000 1.191 351 L HN 0.601 nan 8.230 nan 0.000 0.431 352 E N 4.862 125.186 120.200 0.207 0.000 2.156 352 E HA 0.472 4.822 4.350 0.000 0.000 0.279 352 E C -1.761 174.863 176.600 0.041 0.000 0.965 352 E CA -0.343 56.160 56.400 0.171 0.000 0.789 352 E CB 1.775 31.658 29.700 0.305 0.000 1.098 352 E HN 0.500 nan 8.360 nan 0.000 0.397 353 V N 3.224 123.126 119.914 -0.020 0.000 2.737 353 V HA 0.472 4.592 4.120 0.000 0.000 0.298 353 V C 0.195 176.153 176.094 -0.227 0.000 1.163 353 V CA 0.451 62.624 62.300 -0.212 0.000 0.925 353 V CB 1.208 32.808 31.823 -0.371 0.000 1.037 353 V HN 0.856 nan 8.190 nan 0.000 0.433 354 G N 4.445 113.154 108.800 -0.151 0.000 2.356 354 G HA2 0.092 4.052 3.960 0.000 0.000 0.296 354 G HA3 0.092 4.052 3.960 0.000 0.000 0.296 354 G C 1.613 176.661 174.900 0.246 0.000 1.022 354 G CA 1.362 46.553 45.100 0.151 0.000 0.961 354 G HN 2.767 nan 8.290 nan 0.000 0.510 355 G N -2.058 106.812 108.800 0.115 0.000 2.234 355 G HA2 -0.256 3.704 3.960 0.000 0.000 0.260 355 G HA3 -0.256 3.704 3.960 0.000 0.000 0.260 355 G C 0.547 175.479 174.900 0.053 0.000 0.987 355 G CA 0.638 45.829 45.100 0.152 0.000 0.625 355 G HN 1.306 nan 8.290 nan 0.000 0.532 356 L N 0.440 121.645 121.223 -0.030 0.000 2.399 356 L HA 0.683 5.023 4.340 0.000 0.000 0.266 356 L C 0.310 177.060 176.870 -0.199 0.000 1.114 356 L CA -0.562 54.159 54.840 -0.200 0.000 0.804 356 L CB 1.175 43.008 42.059 -0.377 0.000 1.146 356 L HN 0.177 nan 8.230 nan 0.000 0.451 357 E N 1.765 121.771 120.200 -0.322 0.000 2.246 357 E HA 0.380 4.730 4.350 0.000 0.000 0.266 357 E C -1.608 174.800 176.600 -0.321 0.000 0.880 357 E CA -0.392 55.899 56.400 -0.182 0.000 0.762 357 E CB 1.941 31.589 29.700 -0.088 0.000 1.180 357 E HN 0.264 nan 8.360 nan 0.000 0.416 358 F N 3.337 123.313 119.950 0.043 0.000 2.307 358 F HA 0.301 4.828 4.527 0.000 0.000 0.369 358 F C -1.781 174.092 175.800 0.122 0.000 1.076 358 F CA -2.176 55.867 58.000 0.072 0.000 1.149 358 F CB 1.300 40.332 39.000 0.054 0.000 1.410 358 F HN 0.359 nan 8.300 nan 0.000 0.481 359 P HA -0.081 nan 4.420 nan 0.000 0.228 359 P C -0.098 177.339 177.300 0.229 0.000 1.151 359 P CA 0.743 63.962 63.100 0.199 0.000 0.770 359 P CB 0.414 32.206 31.700 0.153 0.000 0.786 360 A N 0.021 123.026 122.820 0.308 0.000 2.410 360 A HA 0.557 4.877 4.320 0.000 0.000 0.289 360 A C -0.366 177.467 177.584 0.415 0.000 1.200 360 A CA -0.447 51.788 52.037 0.330 0.000 0.751 360 A CB 0.332 19.521 19.000 0.316 0.000 1.161 360 A HN 0.253 nan 8.150 nan 0.000 0.459 361 C N 1.078 120.559 119.300 0.303 0.000 3.319 361 C HA 0.508 4.968 4.460 0.000 0.000 0.258 361 C C -2.878 172.210 174.990 0.164 0.000 1.068 361 C CA -1.578 57.580 59.018 0.232 0.000 1.193 361 C CB -0.141 27.726 27.740 0.212 0.000 1.770 361 C HN 0.583 nan 8.230 nan 0.000 0.604 362 P HA 0.425 nan 4.420 nan 0.000 0.268 362 P C -0.648 176.646 177.300 -0.010 0.000 1.205 362 P CA 0.783 63.819 63.100 -0.107 0.000 0.771 362 P CB 0.689 32.321 31.700 -0.114 0.000 0.858 363 F N 0.059 119.918 119.950 -0.152 0.000 2.626 363 F HA 0.676 5.203 4.527 0.000 0.000 0.311 363 F C -0.860 174.830 175.800 -0.182 0.000 1.088 363 F CA -1.138 56.778 58.000 -0.140 0.000 0.949 363 F CB 1.669 40.450 39.000 -0.366 0.000 1.322 363 F HN 0.373 nan 8.300 nan 0.000 0.461 364 N N -0.084 118.698 118.700 0.138 0.000 2.610 364 N HA 0.750 5.490 4.740 0.000 0.000 0.264 364 N C -1.260 174.173 175.510 -0.128 0.000 1.348 364 N CA -0.415 52.634 53.050 -0.003 0.000 0.819 364 N CB 1.994 40.527 38.487 0.077 0.000 1.521 364 N HN 1.101 nan 8.380 nan 0.000 0.497 365 G N -0.912 107.774 108.800 -0.191 0.000 3.195 365 G HA2 0.662 4.622 3.960 0.000 0.000 0.217 365 G HA3 0.662 4.622 3.960 0.000 0.000 0.217 365 G C -1.814 173.011 174.900 -0.124 0.000 1.166 365 G CA -0.767 44.132 45.100 -0.336 0.000 0.812 365 G HN 0.691 nan 8.290 nan 0.000 0.617 366 W N -1.536 119.757 121.300 -0.010 0.000 2.820 366 W HA 0.816 5.476 4.660 0.000 0.000 0.350 366 W C -1.316 175.188 176.519 -0.025 0.000 1.116 366 W CA -2.147 55.207 57.345 0.015 0.000 1.146 366 W CB 0.392 29.897 29.460 0.075 0.000 1.433 366 W HN 0.401 nan 8.180 nan 0.000 0.561 367 Y N 2.305 122.769 120.300 0.273 0.000 2.379 367 Y HA 0.212 4.762 4.550 0.000 0.000 0.337 367 Y C 0.700 176.620 175.900 0.033 0.000 1.238 367 Y CA -0.435 57.700 58.100 0.058 0.000 1.405 367 Y CB 1.006 39.396 38.460 -0.116 0.000 1.310 367 Y HN 0.428 nan 8.280 nan 0.000 0.569 368 M N 2.696 122.426 119.600 0.216 0.000 2.149 368 M HA 0.343 4.823 4.480 0.000 0.000 0.342 368 M C 1.118 177.391 176.300 -0.045 0.000 1.068 368 M CA -0.145 55.208 55.300 0.088 0.000 0.991 368 M CB 1.251 33.887 32.600 0.060 0.000 1.596 368 M HN 0.860 nan 8.290 nan 0.000 0.439 369 G N 1.883 110.610 108.800 -0.122 0.000 2.679 369 G HA2 -0.368 3.592 3.960 0.000 0.000 0.222 369 G HA3 -0.368 3.592 3.960 0.000 0.000 0.222 369 G C 1.131 175.862 174.900 -0.282 0.000 1.164 369 G CA 2.052 47.010 45.100 -0.237 0.000 0.769 369 G HN 0.876 nan 8.290 nan 0.000 0.610 370 T N -0.940 113.461 114.554 -0.255 0.000 2.929 370 T HA -0.025 4.325 4.350 0.000 0.000 0.271 370 T C 1.917 176.447 174.700 -0.282 0.000 1.085 370 T CA 1.671 63.581 62.100 -0.316 0.000 1.125 370 T CB -0.269 68.346 68.868 -0.422 0.000 0.874 370 T HN 0.569 nan 8.240 nan 0.000 0.494 371 E N 0.893 120.949 120.200 -0.240 0.000 2.077 371 E HA -0.045 4.305 4.350 0.000 0.000 0.193 371 E C 2.069 178.399 176.600 -0.450 0.000 0.989 371 E CA 1.399 57.674 56.400 -0.207 0.000 0.800 371 E CB -0.256 29.459 29.700 0.024 0.000 0.746 371 E HN 0.604 nan 8.360 nan 0.000 0.452 372 I N 0.284 120.420 120.570 -0.722 0.000 2.364 372 I HA -0.039 4.131 4.170 0.000 0.000 0.241 372 I C 2.624 178.115 176.117 -1.044 0.000 1.082 372 I CA 0.832 61.402 61.300 -1.218 0.000 1.401 372 I CB -0.526 36.630 38.000 -1.407 0.000 1.126 372 I HN 0.085 nan 8.210 nan 0.000 0.429 373 G N 0.651 109.075 108.800 -0.627 0.000 2.442 373 G HA2 -0.144 3.816 3.960 0.000 0.000 0.219 373 G HA3 -0.144 3.816 3.960 0.000 0.000 0.219 373 G C 1.551 176.365 174.900 -0.145 0.000 1.141 373 G CA 1.283 46.216 45.100 -0.278 0.000 0.763 373 G HN 0.253 nan 8.290 nan 0.000 0.554 374 V N -0.217 119.570 119.914 -0.213 0.000 2.627 374 V HA 0.119 4.239 4.120 0.000 0.000 0.239 374 V C 2.718 178.750 176.094 -0.103 0.000 1.077 374 V CA 0.659 62.884 62.300 -0.126 0.000 1.103 374 V CB -0.199 31.530 31.823 -0.157 0.000 0.802 374 V HN 0.081 nan 8.190 nan 0.000 0.482 375 R N 0.904 121.310 120.500 -0.156 0.000 2.056 375 R HA -0.041 4.299 4.340 0.000 0.000 0.227 375 R C 1.977 178.229 176.300 -0.081 0.000 1.149 375 R CA 1.606 57.648 56.100 -0.097 0.000 0.937 375 R CB -1.130 29.116 30.300 -0.090 0.000 0.835 375 R HN 0.472 nan 8.270 nan 0.000 0.430 376 D N 0.422 120.666 120.400 -0.259 0.000 2.092 376 D HA -0.136 4.504 4.640 0.000 0.000 0.193 376 D C 1.873 178.219 176.300 0.077 0.000 0.994 376 D CA 1.190 55.021 54.000 -0.281 0.000 0.828 376 D CB -0.209 39.875 40.800 -1.194 0.000 0.963 376 D HN 0.101 nan 8.370 nan 0.000 0.450 377 F N 0.173 120.039 119.950 -0.141 0.000 2.416 377 F HA 0.045 4.572 4.527 0.000 0.000 0.296 377 F C 2.315 178.167 175.800 0.086 0.000 1.099 377 F CA -0.296 57.716 58.000 0.021 0.000 1.427 377 F CB -0.638 38.361 39.000 -0.003 0.000 1.079 377 F HN 0.045 nan 8.300 nan 0.000 0.536 378 C N -1.279 118.149 119.300 0.213 0.000 3.065 378 C HA 0.200 4.660 4.460 0.000 0.000 0.285 378 C C 0.460 175.512 174.990 0.102 0.000 1.257 378 C CA -0.631 58.474 59.018 0.145 0.000 1.691 378 C CB -0.504 27.291 27.740 0.092 0.000 2.089 378 C HN 0.053 nan 8.230 nan 0.000 0.630 379 D N 1.857 122.314 120.400 0.096 0.000 2.455 379 D HA 0.086 4.726 4.640 0.000 0.000 0.241 379 D C 1.546 177.902 176.300 0.093 0.000 1.138 379 D CA 0.493 54.538 54.000 0.076 0.000 0.877 379 D CB 1.066 41.910 40.800 0.073 0.000 1.187 379 D HN 0.406 nan 8.370 nan 0.000 0.451 380 T N -0.443 114.154 114.554 0.071 0.000 2.833 380 T HA -0.231 4.119 4.350 0.000 0.000 0.269 380 T C 1.310 176.048 174.700 0.064 0.000 1.054 380 T CA 0.810 62.953 62.100 0.070 0.000 1.135 380 T CB -0.044 68.858 68.868 0.057 0.000 0.869 380 T HN 0.484 nan 8.240 nan 0.000 0.466 381 Q N 0.904 120.740 119.800 0.060 0.000 2.322 381 Q HA 0.164 4.504 4.340 0.000 0.000 0.203 381 Q C 0.740 176.775 176.000 0.058 0.000 0.923 381 Q CA -0.084 55.749 55.803 0.051 0.000 0.949 381 Q CB 0.134 28.900 28.738 0.048 0.000 1.039 381 Q HN 0.420 nan 8.270 nan 0.000 0.496 382 R N -0.495 120.056 120.500 0.085 0.000 2.893 382 R HA 0.245 4.585 4.340 0.000 0.000 0.108 382 R C 1.279 177.619 176.300 0.066 0.000 0.889 382 R CA -0.437 55.734 56.100 0.119 0.000 0.627 382 R CB -1.032 29.418 30.300 0.250 0.000 0.778 382 R HN 0.054 nan 8.270 nan 0.000 0.360 383 Y N 1.665 122.100 120.300 0.224 0.000 2.509 383 Y HA -0.046 4.504 4.550 0.000 0.000 0.293 383 Y C 0.647 176.634 175.900 0.144 0.000 1.133 383 Y CA 0.728 58.956 58.100 0.214 0.000 1.283 383 Y CB -0.358 38.308 38.460 0.344 0.000 1.001 383 Y HN 0.459 nan 8.280 nan 0.000 0.555 384 N N 0.978 119.824 118.700 0.244 0.000 2.689 384 N HA -0.233 4.507 4.740 0.000 0.000 0.263 384 N C 0.358 175.965 175.510 0.161 0.000 0.987 384 N CA 0.846 53.998 53.050 0.170 0.000 0.782 384 N CB -1.248 37.308 38.487 0.114 0.000 0.903 384 N HN 0.677 nan 8.380 nan 0.000 0.547 385 I N -3.210 117.466 120.570 0.178 0.000 3.883 385 I HA 0.114 4.284 4.170 0.000 0.000 0.326 385 I C 1.654 177.864 176.117 0.154 0.000 1.283 385 I CA -0.402 60.974 61.300 0.127 0.000 1.161 385 I CB -0.051 37.983 38.000 0.056 0.000 1.012 385 I HN 0.137 nan 8.210 nan 0.000 0.421 386 L N 1.871 123.209 121.223 0.191 0.000 1.990 386 L HA -0.232 4.108 4.340 0.000 0.000 0.213 386 L C 2.542 179.645 176.870 0.388 0.000 1.072 386 L CA 2.239 57.227 54.840 0.246 0.000 0.755 386 L CB -0.762 41.398 42.059 0.167 0.000 0.889 386 L HN 0.489 nan 8.230 nan 0.000 0.432 387 E N -1.113 119.305 120.200 0.364 0.000 2.110 387 E HA -0.291 4.059 4.350 0.000 0.000 0.193 387 E C 2.045 178.685 176.600 0.067 0.000 0.988 387 E CA 1.146 57.718 56.400 0.286 0.000 0.804 387 E CB -0.004 29.808 29.700 0.187 0.000 0.745 387 E HN 0.561 nan 8.360 nan 0.000 0.458 388 E N 0.095 120.328 120.200 0.056 0.000 2.051 388 E HA -0.157 4.193 4.350 0.000 0.000 0.192 388 E C 1.954 178.517 176.600 -0.062 0.000 0.991 388 E CA 1.569 57.949 56.400 -0.033 0.000 0.799 388 E CB -0.250 29.436 29.700 -0.023 0.000 0.748 388 E HN 0.146 nan 8.360 nan 0.000 0.449 389 V N 0.389 120.338 119.914 0.058 0.000 2.407 389 V HA -0.151 3.969 4.120 0.000 0.000 0.248 389 V C 2.291 178.441 176.094 0.094 0.000 1.055 389 V CA 1.828 64.207 62.300 0.132 0.000 1.049 389 V CB -1.051 30.959 31.823 0.312 0.000 0.662 389 V HN 0.509 nan 8.190 nan 0.000 0.455 390 G N -0.296 108.603 108.800 0.166 0.000 2.421 390 G HA2 -0.299 3.661 3.960 0.000 0.000 0.216 390 G HA3 -0.299 3.661 3.960 0.000 0.000 0.216 390 G C 1.716 176.543 174.900 -0.121 0.000 1.171 390 G CA 0.925 46.113 45.100 0.147 0.000 0.775 390 G HN 0.443 nan 8.290 nan 0.000 0.543 391 R N 0.010 120.377 120.500 -0.222 0.000 2.092 391 R HA 0.020 4.360 4.340 0.000 0.000 0.231 391 R C 2.667 178.759 176.300 -0.347 0.000 1.119 391 R CA 0.699 56.634 56.100 -0.275 0.000 0.970 391 R CB -0.124 30.023 30.300 -0.254 0.000 0.864 391 R HN 0.128 nan 8.270 nan 0.000 0.440 392 R N -0.025 120.181 120.500 -0.491 0.000 2.115 392 R HA -0.060 4.280 4.340 0.000 0.000 0.230 392 R C 1.937 177.736 176.300 -0.834 0.000 1.111 392 R CA 1.256 56.793 56.100 -0.938 0.000 0.976 392 R CB -0.209 29.061 30.300 -1.716 0.000 0.870 392 R HN 0.365 nan 8.270 nan 0.000 0.445 393 M N -0.474 118.867 119.600 -0.431 0.000 2.618 393 M HA 0.097 4.577 4.480 0.000 0.000 0.240 393 M C 0.563 176.787 176.300 -0.127 0.000 1.123 393 M CA 0.628 55.811 55.300 -0.195 0.000 1.060 393 M CB 0.395 32.987 32.600 -0.013 0.000 1.535 393 M HN 0.288 nan 8.290 nan 0.000 0.507 394 G N 2.189 110.881 108.800 -0.179 0.000 2.298 394 G HA2 -0.225 3.735 3.960 0.000 0.000 0.287 394 G HA3 -0.225 3.735 3.960 0.000 0.000 0.287 394 G C -0.337 174.523 174.900 -0.067 0.000 1.075 394 G CA -0.162 44.864 45.100 -0.123 0.000 0.960 394 G HN 0.398 nan 8.290 nan 0.000 0.502 395 L N -1.158 120.016 121.223 -0.082 0.000 2.358 395 L HA 0.498 4.838 4.340 0.000 0.000 0.268 395 L C 0.931 177.725 176.870 -0.127 0.000 1.032 395 L CA -1.029 53.785 54.840 -0.042 0.000 0.805 395 L CB 1.088 43.181 42.059 0.058 0.000 1.253 395 L HN 0.177 nan 8.230 nan 0.000 0.452 396 E N 0.280 120.418 120.200 -0.103 0.000 2.222 396 E HA -0.022 4.328 4.350 0.000 0.000 0.312 396 E C 0.803 177.104 176.600 -0.498 0.000 1.263 396 E CA -0.068 56.211 56.400 -0.201 0.000 1.356 396 E CB 0.017 29.578 29.700 -0.231 0.000 1.180 396 E HN 0.632 nan 8.360 nan 0.000 0.494 397 T N -1.474 112.665 114.554 -0.693 0.000 3.139 397 T HA -0.167 4.184 4.350 0.000 0.000 0.267 397 T C 1.264 175.614 174.700 -0.584 0.000 1.164 397 T CA 0.863 62.090 62.100 -1.455 0.000 1.075 397 T CB -0.212 67.935 68.868 -1.202 0.000 0.904 397 T HN 0.487 nan 8.240 nan 0.000 0.540 398 H N -1.066 117.811 119.070 -0.321 0.000 2.652 398 H HA 0.300 4.856 4.556 0.000 0.000 0.274 398 H C -0.479 174.858 175.328 0.015 0.000 1.021 398 H CA -0.392 55.594 56.048 -0.102 0.000 1.187 398 H CB -0.082 29.622 29.762 -0.098 0.000 1.505 398 H HN 0.247 nan 8.280 nan 0.000 0.530 399 T N 2.595 116.996 114.554 -0.255 0.000 2.963 399 T HA 0.280 4.630 4.350 0.000 0.000 0.328 399 T C 1.319 176.104 174.700 0.141 0.000 1.048 399 T CA -0.547 61.493 62.100 -0.100 0.000 1.033 399 T CB 1.648 70.365 68.868 -0.252 0.000 1.010 399 T HN 0.090 nan 8.240 nan 0.000 0.469 400 L N 1.804 123.128 121.223 0.168 0.000 2.042 400 L HA -0.150 4.190 4.340 0.000 0.000 0.210 400 L C 2.829 179.747 176.870 0.081 0.000 1.076 400 L CA 1.536 56.466 54.840 0.150 0.000 0.749 400 L CB -0.472 41.635 42.059 0.080 0.000 0.893 400 L HN 0.743 nan 8.230 nan 0.000 0.432 401 A N -0.165 122.688 122.820 0.055 0.000 2.186 401 A HA -0.189 4.131 4.320 0.000 0.000 0.219 401 A C 2.401 180.012 177.584 0.045 0.000 1.159 401 A CA 1.643 53.700 52.037 0.035 0.000 0.680 401 A CB -0.553 18.461 19.000 0.024 0.000 0.787 401 A HN 0.575 nan 8.150 nan 0.000 0.467 402 S N -0.650 115.097 115.700 0.079 0.000 2.481 402 S HA 0.095 4.565 4.470 0.000 0.000 0.231 402 S C 0.871 175.537 174.600 0.109 0.000 0.996 402 S CA 0.681 58.937 58.200 0.093 0.000 0.942 402 S CB -0.714 62.551 63.200 0.108 0.000 0.768 402 S HN 0.890 nan 8.310 nan 0.000 0.520 403 L N 0.494 121.763 121.223 0.077 0.000 3.865 403 L HA -0.164 4.176 4.340 0.000 0.000 0.408 403 L C 1.567 178.455 176.870 0.029 0.000 1.209 403 L CA 0.688 55.528 54.840 -0.001 0.000 0.940 403 L CB -2.617 39.448 42.059 0.009 0.000 1.971 403 L HN 0.753 nan 8.230 nan 0.000 0.899 404 W N 0.209 121.516 121.300 0.011 0.000 2.374 404 W HA -0.131 4.529 4.660 0.000 0.000 0.288 404 W C 1.668 178.212 176.519 0.042 0.000 1.218 404 W CA 1.292 58.651 57.345 0.024 0.000 1.245 404 W CB -0.665 28.801 29.460 0.010 0.000 1.126 404 W HN 0.277 nan 8.180 nan 0.000 0.545 405 K N 0.753 120.639 120.400 -0.857 0.000 2.097 405 K HA -0.151 4.169 4.320 0.000 0.000 0.206 405 K C 1.650 178.086 176.600 -0.273 0.000 1.049 405 K CA 1.920 57.714 56.287 -0.822 0.000 0.933 405 K CB -0.322 31.601 32.500 -0.962 0.000 0.717 405 K HN 0.088 nan 8.250 nan 0.000 0.442 406 D N 0.465 120.762 120.400 -0.172 0.000 2.144 406 D HA -0.109 4.531 4.640 0.000 0.000 0.200 406 D C 1.980 178.296 176.300 0.025 0.000 0.978 406 D CA 0.988 54.954 54.000 -0.056 0.000 0.833 406 D CB 0.052 40.831 40.800 -0.035 0.000 0.961 406 D HN 0.192 nan 8.370 nan 0.000 0.470 407 R N 0.722 121.263 120.500 0.069 0.000 2.090 407 R HA 0.011 4.351 4.340 0.000 0.000 0.228 407 R C 2.342 178.750 176.300 0.180 0.000 1.110 407 R CA 0.953 57.134 56.100 0.135 0.000 0.973 407 R CB -0.099 30.301 30.300 0.167 0.000 0.869 407 R HN 0.053 nan 8.270 nan 0.000 0.440 408 A N 0.573 123.509 122.820 0.193 0.000 1.855 408 A HA -0.110 4.210 4.320 0.000 0.000 0.215 408 A C 2.221 179.932 177.584 0.212 0.000 1.191 408 A CA 1.227 53.414 52.037 0.249 0.000 0.613 408 A CB -0.827 18.361 19.000 0.314 0.000 0.829 408 A HN 0.181 nan 8.150 nan 0.000 0.442 409 V N 0.031 120.019 119.914 0.123 0.000 2.568 409 V HA -0.204 3.916 4.120 0.000 0.000 0.253 409 V C 2.505 178.666 176.094 0.112 0.000 1.072 409 V CA 2.819 65.181 62.300 0.103 0.000 1.084 409 V CB -0.790 31.048 31.823 0.024 0.000 0.676 409 V HN 0.652 nan 8.190 nan 0.000 0.469 410 T N -0.413 114.213 114.554 0.120 0.000 2.812 410 T HA -0.091 4.259 4.350 0.000 0.000 0.264 410 T C 1.780 176.571 174.700 0.151 0.000 1.042 410 T CA 1.312 63.485 62.100 0.122 0.000 1.140 410 T CB -0.183 68.755 68.868 0.117 0.000 0.870 410 T HN 0.496 nan 8.240 nan 0.000 0.445 411 E N 1.026 121.358 120.200 0.221 0.000 2.150 411 E HA 0.009 4.359 4.350 0.000 0.000 0.193 411 E C 2.176 178.918 176.600 0.237 0.000 0.985 411 E CA 0.651 57.231 56.400 0.301 0.000 0.814 411 E CB -0.325 29.633 29.700 0.431 0.000 0.752 411 E HN 0.533 nan 8.360 nan 0.000 0.466 412 I N 1.436 122.164 120.570 0.263 0.000 2.252 412 I HA -0.236 3.934 4.170 0.000 0.000 0.245 412 I C 2.080 178.280 176.117 0.138 0.000 1.102 412 I CA 0.719 62.190 61.300 0.285 0.000 1.385 412 I CB -0.301 37.929 38.000 0.383 0.000 1.064 412 I HN 0.024 nan 8.210 nan 0.000 0.414 413 N N 0.717 119.471 118.700 0.090 0.000 2.120 413 N HA -0.134 4.606 4.740 0.000 0.000 0.188 413 N C 1.943 177.453 175.510 -0.000 0.000 1.024 413 N CA 1.193 54.255 53.050 0.018 0.000 0.852 413 N CB -0.285 38.213 38.487 0.019 0.000 1.003 413 N HN 0.151 nan 8.380 nan 0.000 0.424 414 V N 1.581 121.491 119.914 -0.006 0.000 2.407 414 V HA -0.185 3.935 4.120 0.000 0.000 0.248 414 V C 2.421 178.411 176.094 -0.174 0.000 1.055 414 V CA 1.681 63.927 62.300 -0.089 0.000 1.049 414 V CB -0.879 30.863 31.823 -0.134 0.000 0.662 414 V HN 0.277 nan 8.190 nan 0.000 0.455 415 A N -0.023 122.656 122.820 -0.235 0.000 1.865 415 A HA -0.178 4.142 4.320 0.000 0.000 0.217 415 A C 2.408 179.954 177.584 -0.063 0.000 1.191 415 A CA 2.244 54.077 52.037 -0.339 0.000 0.623 415 A CB -0.793 17.717 19.000 -0.817 0.000 0.826 415 A HN 0.321 nan 8.150 nan 0.000 0.444 416 V N 0.222 120.147 119.914 0.018 0.000 2.255 416 V HA -0.309 3.811 4.120 0.000 0.000 0.247 416 V C 2.613 178.764 176.094 0.094 0.000 1.051 416 V CA 2.188 64.542 62.300 0.091 0.000 1.018 416 V CB -0.926 30.864 31.823 -0.055 0.000 0.641 416 V HN 0.576 nan 8.190 nan 0.000 0.445 417 L N -0.575 120.649 121.223 0.002 0.000 2.012 417 L HA -0.246 4.094 4.340 0.000 0.000 0.210 417 L C 2.664 179.569 176.870 0.059 0.000 1.073 417 L CA 2.251 57.096 54.840 0.008 0.000 0.748 417 L CB -0.999 41.057 42.059 -0.005 0.000 0.891 417 L HN 0.514 nan 8.230 nan 0.000 0.431 418 H N -0.217 118.816 119.070 -0.063 0.000 2.352 418 H HA -0.150 4.406 4.556 0.000 0.000 0.299 418 H C 2.282 177.595 175.328 -0.026 0.000 1.097 418 H CA 1.859 57.855 56.048 -0.086 0.000 1.311 418 H CB 0.357 29.998 29.762 -0.202 0.000 1.377 418 H HN 0.265 nan 8.280 nan 0.000 0.504 419 S N 0.200 115.853 115.700 -0.079 0.000 2.355 419 S HA -0.111 4.359 4.470 0.000 0.000 0.222 419 S C 1.957 176.526 174.600 -0.050 0.000 1.031 419 S CA 1.150 59.294 58.200 -0.094 0.000 0.993 419 S CB -0.515 62.719 63.200 0.057 0.000 0.859 419 S HN 0.300 nan 8.310 nan 0.000 0.453 420 F N 2.132 122.024 119.950 -0.097 0.000 2.171 420 F HA -0.121 4.406 4.527 0.000 0.000 0.300 420 F C 2.632 178.376 175.800 -0.093 0.000 1.090 420 F CA 1.132 59.092 58.000 -0.067 0.000 1.293 420 F CB -0.444 38.533 39.000 -0.038 0.000 1.013 420 F HN 0.253 nan 8.300 nan 0.000 0.486 421 Q N -0.309 119.521 119.800 0.049 0.000 2.083 421 Q HA -0.200 4.140 4.340 0.000 0.000 0.198 421 Q C 2.243 178.182 176.000 -0.102 0.000 0.969 421 Q CA 1.269 57.053 55.803 -0.032 0.000 0.838 421 Q CB -0.266 28.445 28.738 -0.044 0.000 0.900 421 Q HN 0.334 nan 8.270 nan 0.000 0.436 422 K N 0.984 121.262 120.400 -0.203 0.000 2.103 422 K HA -0.189 4.131 4.320 0.000 0.000 0.207 422 K C 1.402 177.920 176.600 -0.138 0.000 1.048 422 K CA 1.310 57.468 56.287 -0.214 0.000 0.930 422 K CB 0.161 32.446 32.500 -0.360 0.000 0.716 422 K HN 0.131 nan 8.250 nan 0.000 0.444 423 Q N 0.412 120.130 119.800 -0.136 0.000 2.247 423 Q HA 0.106 4.447 4.340 0.000 0.000 0.205 423 Q C -0.747 175.196 176.000 -0.094 0.000 0.896 423 Q CA -0.196 55.536 55.803 -0.118 0.000 0.950 423 Q CB 0.496 29.142 28.738 -0.153 0.000 1.054 423 Q HN 0.289 nan 8.270 nan 0.000 0.482 424 N N -0.281 118.376 118.700 -0.072 0.000 2.727 424 N HA -0.151 4.589 4.740 0.000 0.000 0.249 424 N C -1.331 174.159 175.510 -0.034 0.000 1.048 424 N CA 0.618 53.639 53.050 -0.050 0.000 0.714 424 N CB -1.448 37.009 38.487 -0.049 0.000 0.959 424 N HN 0.029 nan 8.380 nan 0.000 0.544 425 V N 0.860 120.769 119.914 -0.008 0.000 2.384 425 V HA 0.232 4.352 4.120 0.000 0.000 0.287 425 V C 0.842 177.055 176.094 0.198 0.000 1.020 425 V CA -0.673 61.663 62.300 0.059 0.000 0.850 425 V CB 1.953 33.734 31.823 -0.069 0.000 0.987 425 V HN 0.195 nan 8.190 nan 0.000 0.436 426 T N 6.510 121.126 114.554 0.103 0.000 2.923 426 T HA 0.349 4.699 4.350 0.000 0.000 0.304 426 T C -0.215 174.541 174.700 0.094 0.000 1.044 426 T CA 0.983 63.069 62.100 -0.024 0.000 1.141 426 T CB 0.068 68.813 68.868 -0.205 0.000 1.023 426 T HN 0.600 nan 8.240 nan 0.000 0.533 427 I N 2.244 122.777 120.570 -0.062 0.000 2.842 427 I HA 0.492 4.662 4.170 0.000 0.000 0.296 427 I C -1.712 174.375 176.117 -0.050 0.000 1.538 427 I CA -0.943 60.327 61.300 -0.049 0.000 0.994 427 I CB 1.948 39.797 38.000 -0.252 0.000 1.372 427 I HN 0.642 nan 8.210 nan 0.000 0.478 428 M N 5.279 124.912 119.600 0.055 0.000 2.393 428 M HA 0.385 4.865 4.480 0.000 0.000 0.299 428 M C -1.414 174.930 176.300 0.074 0.000 1.103 428 M CA -0.501 54.849 55.300 0.083 0.000 0.910 428 M CB 1.757 34.483 32.600 0.210 0.000 1.659 428 M HN 0.632 nan 8.290 nan 0.000 0.445 429 D N 2.000 122.441 120.400 0.069 0.000 2.360 429 D HA 0.045 4.685 4.640 0.000 0.000 0.242 429 D C 1.129 177.505 176.300 0.127 0.000 1.184 429 D CA -0.051 54.019 54.000 0.116 0.000 0.930 429 D CB 0.551 41.411 40.800 0.100 0.000 1.161 429 D HN 0.693 nan 8.370 nan 0.000 0.447 430 H N 0.135 119.168 119.070 -0.062 0.000 2.423 430 H HA -0.137 4.419 4.556 0.000 0.000 0.297 430 H C 1.214 176.454 175.328 -0.147 0.000 1.075 430 H CA 1.468 57.435 56.048 -0.135 0.000 1.342 430 H CB -0.795 28.831 29.762 -0.227 0.000 1.395 430 H HN 0.550 nan 8.280 nan 0.000 0.530 431 H N 0.891 119.747 119.070 -0.357 0.000 2.299 431 H HA -0.048 4.508 4.556 0.000 0.000 0.302 431 H C 1.966 177.258 175.328 -0.061 0.000 1.078 431 H CA 2.009 57.928 56.048 -0.216 0.000 1.323 431 H CB -0.302 29.306 29.762 -0.256 0.000 1.381 431 H HN 0.389 nan 8.280 nan 0.000 0.498 432 T N 1.180 115.786 114.554 0.086 0.000 2.788 432 T HA -0.094 4.256 4.350 0.000 0.000 0.268 432 T C 2.327 177.088 174.700 0.101 0.000 1.044 432 T CA 1.120 63.269 62.100 0.082 0.000 1.139 432 T CB -0.372 68.538 68.868 0.069 0.000 0.867 432 T HN 0.434 nan 8.240 nan 0.000 0.454 433 A N 1.381 124.263 122.820 0.103 0.000 1.902 433 A HA -0.082 4.238 4.320 0.000 0.000 0.217 433 A C 2.628 180.296 177.584 0.141 0.000 1.181 433 A CA 1.885 54.000 52.037 0.130 0.000 0.623 433 A CB -0.889 18.179 19.000 0.113 0.000 0.818 433 A HN 0.435 nan 8.150 nan 0.000 0.443 434 S N -0.159 115.603 115.700 0.103 0.000 2.359 434 S HA -0.186 4.284 4.470 0.000 0.000 0.224 434 S C 1.862 176.567 174.600 0.175 0.000 1.035 434 S CA 1.605 59.883 58.200 0.129 0.000 1.018 434 S CB -0.368 62.873 63.200 0.068 0.000 0.876 434 S HN 0.699 nan 8.310 nan 0.000 0.448 435 E N 0.822 121.101 120.200 0.132 0.000 2.110 435 E HA -0.127 4.223 4.350 0.000 0.000 0.193 435 E C 2.293 178.963 176.600 0.117 0.000 0.988 435 E CA 1.173 57.641 56.400 0.114 0.000 0.804 435 E CB -0.235 29.517 29.700 0.086 0.000 0.745 435 E HN 0.440 nan 8.360 nan 0.000 0.458 436 S N 0.440 116.221 115.700 0.135 0.000 2.370 436 S HA -0.196 4.274 4.470 0.000 0.000 0.226 436 S C 1.795 176.493 174.600 0.163 0.000 1.033 436 S CA 1.025 59.308 58.200 0.139 0.000 1.011 436 S CB -0.294 63.001 63.200 0.158 0.000 0.852 436 S HN 0.337 nan 8.310 nan 0.000 0.457 437 F N 1.699 121.699 119.950 0.083 0.000 2.186 437 F HA 0.053 4.580 4.527 0.000 0.000 0.299 437 F C 2.104 177.982 175.800 0.129 0.000 1.090 437 F CA 1.348 59.409 58.000 0.103 0.000 1.307 437 F CB -0.306 38.730 39.000 0.061 0.000 1.019 437 F HN 0.187 nan 8.300 nan 0.000 0.489 438 M N 0.284 119.910 119.600 0.043 0.000 2.117 438 M HA -0.183 4.297 4.480 0.000 0.000 0.262 438 M C 2.222 178.460 176.300 -0.104 0.000 1.065 438 M CA 1.586 56.865 55.300 -0.035 0.000 1.114 438 M CB -1.277 31.366 32.600 0.072 0.000 1.361 438 M HN 0.092 nan 8.290 nan 0.000 0.408 439 K N -0.301 120.076 120.400 -0.039 0.000 2.057 439 K HA -0.212 4.108 4.320 0.000 0.000 0.207 439 K C 1.979 178.535 176.600 -0.073 0.000 1.049 439 K CA 1.842 58.109 56.287 -0.033 0.000 0.931 439 K CB -0.590 31.920 32.500 0.017 0.000 0.714 439 K HN 0.405 nan 8.250 nan 0.000 0.440 440 H N -0.219 118.734 119.070 -0.194 0.000 2.321 440 H HA -0.062 4.494 4.556 0.000 0.000 0.300 440 H C 2.039 177.193 175.328 -0.290 0.000 1.087 440 H CA 2.510 58.421 56.048 -0.228 0.000 1.319 440 H CB -0.213 29.385 29.762 -0.272 0.000 1.379 440 H HN 0.263 nan 8.280 nan 0.000 0.501 441 M N 0.013 119.277 119.600 -0.560 0.000 2.106 441 M HA -0.272 4.208 4.480 0.000 0.000 0.259 441 M C 2.516 178.719 176.300 -0.162 0.000 1.068 441 M CA 2.262 57.317 55.300 -0.409 0.000 1.100 441 M CB -0.190 32.186 32.600 -0.373 0.000 1.351 441 M HN 0.576 nan 8.290 nan 0.000 0.404 442 Q N 0.082 119.781 119.800 -0.169 0.000 2.061 442 Q HA -0.231 4.109 4.340 0.000 0.000 0.204 442 Q C 1.469 177.417 176.000 -0.087 0.000 0.984 442 Q CA 1.983 57.725 55.803 -0.101 0.000 0.846 442 Q CB -0.108 28.573 28.738 -0.094 0.000 0.902 442 Q HN 0.570 nan 8.270 nan 0.000 0.421 443 N N 0.415 119.025 118.700 -0.150 0.000 2.166 443 N HA -0.138 4.602 4.740 0.000 0.000 0.186 443 N C 1.568 176.972 175.510 -0.177 0.000 1.019 443 N CA 1.142 54.111 53.050 -0.135 0.000 0.856 443 N CB -0.179 38.239 38.487 -0.116 0.000 0.993 443 N HN 0.311 nan 8.380 nan 0.000 0.426 444 E N 0.088 120.101 120.200 -0.311 0.000 2.072 444 E HA -0.103 4.247 4.350 0.000 0.000 0.191 444 E C 1.817 178.291 176.600 -0.209 0.000 0.985 444 E CA 0.751 56.953 56.400 -0.330 0.000 0.801 444 E CB -0.383 29.026 29.700 -0.485 0.000 0.750 444 E HN 0.476 nan 8.360 nan 0.000 0.452 445 Y N 0.708 120.904 120.300 -0.173 0.000 2.242 445 Y HA -0.106 4.444 4.550 0.000 0.000 0.291 445 Y C 2.556 178.398 175.900 -0.097 0.000 1.137 445 Y CA 1.082 59.119 58.100 -0.105 0.000 1.181 445 Y CB -0.027 38.376 38.460 -0.095 0.000 0.989 445 Y HN -0.079 nan 8.280 nan 0.000 0.527 446 R N 0.357 120.879 120.500 0.037 0.000 2.081 446 R HA -0.135 4.205 4.340 0.000 0.000 0.235 446 R C 2.147 178.428 176.300 -0.032 0.000 1.131 446 R CA 1.473 57.567 56.100 -0.009 0.000 0.960 446 R CB -0.644 29.640 30.300 -0.025 0.000 0.856 446 R HN 0.370 nan 8.270 nan 0.000 0.436 447 A N 0.975 123.759 122.820 -0.060 0.000 1.935 447 A HA -0.079 4.241 4.320 0.000 0.000 0.214 447 A C 1.643 179.181 177.584 -0.077 0.000 1.178 447 A CA 1.215 53.214 52.037 -0.064 0.000 0.640 447 A CB 0.013 18.970 19.000 -0.072 0.000 0.825 447 A HN 0.458 nan 8.150 nan 0.000 0.447 448 R N -2.615 117.814 120.500 -0.118 0.000 2.549 448 R HA 0.397 4.737 4.340 0.000 0.000 0.399 448 R C 0.729 176.952 176.300 -0.129 0.000 0.964 448 R CA 0.443 56.476 56.100 -0.112 0.000 1.173 448 R CB -0.526 29.699 30.300 -0.126 0.000 1.535 448 R HN 0.822 nan 8.270 nan 0.000 0.551 449 G N -0.044 108.664 108.800 -0.152 0.000 2.198 449 G HA2 -0.055 3.905 3.960 0.000 0.000 0.257 449 G HA3 -0.055 3.905 3.960 0.000 0.000 0.257 449 G C 0.220 174.867 174.900 -0.422 0.000 1.042 449 G CA 0.077 45.081 45.100 -0.160 0.000 0.791 449 G HN 0.968 nan 8.290 nan 0.000 0.502 450 G N -2.552 105.730 108.800 -0.863 0.000 2.325 450 G HA2 0.563 4.523 3.960 0.000 0.000 0.297 450 G HA3 0.563 4.523 3.960 0.000 0.000 0.297 450 G C -0.895 173.570 174.900 -0.725 0.000 1.448 450 G CA 0.278 44.711 45.100 -1.112 0.000 0.838 450 G HN 1.859 nan 8.290 nan 0.000 0.579 451 C N 2.327 121.403 119.300 -0.373 0.000 3.044 451 C HA 0.614 5.074 4.460 0.000 0.000 0.382 451 C C -2.546 172.397 174.990 -0.078 0.000 1.071 451 C CA -1.151 57.790 59.018 -0.129 0.000 1.296 451 C CB 0.880 28.616 27.740 -0.007 0.000 1.730 451 C HN 0.687 nan 8.230 nan 0.000 0.513 452 P HA 0.353 nan 4.420 nan 0.000 0.263 452 P C -0.527 176.686 177.300 -0.145 0.000 1.195 452 P CA 0.775 63.500 63.100 -0.625 0.000 0.762 452 P CB 0.908 32.173 31.700 -0.726 0.000 0.799 453 A N 2.749 125.541 122.820 -0.047 0.000 2.488 453 A HA 0.437 4.757 4.320 0.000 0.000 0.298 453 A C -1.120 176.510 177.584 0.078 0.000 1.044 453 A CA -0.543 51.544 52.037 0.083 0.000 0.693 453 A CB 1.392 20.541 19.000 0.249 0.000 1.272 453 A HN 0.440 nan 8.150 nan 0.000 0.402 454 D N 1.865 122.294 120.400 0.048 0.000 2.454 454 D HA 0.172 4.812 4.640 0.000 0.000 0.225 454 D C 0.717 177.079 176.300 0.103 0.000 1.081 454 D CA -0.511 53.540 54.000 0.084 0.000 0.864 454 D CB 0.435 41.269 40.800 0.056 0.000 1.040 454 D HN 0.590 nan 8.370 nan 0.000 0.517 455 W N 4.460 125.744 121.300 -0.027 0.000 2.318 455 W HA -0.215 4.445 4.660 0.000 0.000 0.313 455 W C 1.815 178.301 176.519 -0.055 0.000 1.221 455 W CA 1.294 58.611 57.345 -0.046 0.000 1.266 455 W CB -0.090 29.337 29.460 -0.055 0.000 1.150 455 W HN 0.473 nan 8.180 nan 0.000 0.496 456 I N 0.246 121.029 120.570 0.356 0.000 2.315 456 I HA -0.345 3.825 4.170 0.000 0.000 0.251 456 I C 2.400 178.534 176.117 0.028 0.000 1.125 456 I CA 1.522 62.957 61.300 0.225 0.000 1.392 456 I CB -0.925 37.189 38.000 0.190 0.000 1.065 456 I HN 0.142 nan 8.210 nan 0.000 0.424 457 A N 0.259 123.077 122.820 -0.004 0.000 1.984 457 A HA 0.084 4.404 4.320 0.000 0.000 0.214 457 A C 2.198 179.691 177.584 -0.151 0.000 1.173 457 A CA 0.467 52.471 52.037 -0.055 0.000 0.673 457 A CB -0.325 18.662 19.000 -0.021 0.000 0.830 457 A HN 0.331 nan 8.150 nan 0.000 0.453 458 L N -0.023 121.062 121.223 -0.230 0.000 2.179 458 L HA 0.013 4.353 4.340 0.000 0.000 0.208 458 L C 0.298 176.949 176.870 -0.365 0.000 1.096 458 L CA 0.128 54.758 54.840 -0.349 0.000 0.779 458 L CB -0.279 41.501 42.059 -0.464 0.000 0.922 458 L HN 0.059 nan 8.230 nan 0.000 0.443 459 V N 1.585 121.214 119.914 -0.475 0.000 2.479 459 V HA 0.098 4.218 4.120 0.000 0.000 0.281 459 V C -1.810 174.125 176.094 -0.265 0.000 1.031 459 V CA -1.279 60.736 62.300 -0.475 0.000 1.038 459 V CB 0.197 31.520 31.823 -0.834 0.000 0.981 459 V HN 0.051 nan 8.190 nan 0.000 0.478 460 P HA 0.049 nan 4.420 nan 0.000 0.267 460 P C -1.711 175.507 177.300 -0.137 0.000 1.201 460 P CA -0.816 62.198 63.100 -0.144 0.000 0.775 460 P CB 0.054 31.701 31.700 -0.088 0.000 0.854 461 P HA -0.046 nan 4.420 nan 0.000 0.237 461 P C -0.047 177.186 177.300 -0.111 0.000 1.178 461 P CA 0.970 64.001 63.100 -0.116 0.000 0.766 461 P CB 0.174 31.802 31.700 -0.121 0.000 0.876 462 V N -5.274 114.553 119.914 -0.145 0.000 3.078 462 V HA 0.588 4.708 4.120 0.000 0.000 0.311 462 V C 0.145 176.219 176.094 -0.034 0.000 1.138 462 V CA -0.652 61.590 62.300 -0.096 0.000 1.007 462 V CB 1.279 33.029 31.823 -0.122 0.000 1.045 462 V HN 0.064 nan 8.190 nan 0.000 0.432 463 S N -0.040 115.667 115.700 0.011 0.000 3.477 463 S HA -0.182 4.288 4.470 0.000 0.000 0.371 463 S C 1.303 175.891 174.600 -0.020 0.000 0.965 463 S CA 1.013 59.235 58.200 0.036 0.000 1.239 463 S CB -2.158 61.135 63.200 0.156 0.000 0.918 463 S HN 2.432 nan 8.310 nan 0.000 0.498 464 G N 2.645 111.407 108.800 -0.063 0.000 2.587 464 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 464 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 464 G C 1.533 176.275 174.900 -0.263 0.000 1.240 464 G CA 1.350 46.403 45.100 -0.078 0.000 0.794 464 G HN 1.696 nan 8.290 nan 0.000 0.580 465 S N 0.214 115.493 115.700 -0.701 0.000 2.603 465 S HA 0.099 4.569 4.470 0.000 0.000 0.229 465 S C 1.955 176.454 174.600 -0.168 0.000 0.972 465 S CA 0.358 57.980 58.200 -0.964 0.000 0.935 465 S CB -0.051 62.401 63.200 -1.246 0.000 0.769 465 S HN 0.190 nan 8.310 nan 0.000 0.536 466 I N 2.789 123.322 120.570 -0.062 0.000 3.059 466 I HA 0.043 4.213 4.170 0.000 0.000 0.270 466 I C 1.376 177.581 176.117 0.147 0.000 1.238 466 I CA 0.619 61.965 61.300 0.078 0.000 1.478 466 I CB -1.814 36.264 38.000 0.129 0.000 1.097 466 I HN 0.480 nan 8.210 nan 0.000 0.455 467 T N -0.714 113.902 114.554 0.104 0.000 2.907 467 T HA 0.317 4.667 4.350 0.000 0.000 0.284 467 T C -1.356 173.473 174.700 0.215 0.000 1.004 467 T CA -1.702 60.473 62.100 0.124 0.000 1.063 467 T CB 2.153 71.035 68.868 0.024 0.000 0.992 467 T HN -0.068 nan 8.240 nan 0.000 0.483 468 P HA -0.053 nan 4.420 nan 0.000 0.218 468 P C 1.709 179.195 177.300 0.310 0.000 1.149 468 P CA 0.403 63.684 63.100 0.302 0.000 0.817 468 P CB -0.086 31.735 31.700 0.202 0.000 0.785 469 V N -0.177 119.860 119.914 0.206 0.000 2.469 469 V HA -0.238 3.882 4.120 0.000 0.000 0.251 469 V C 2.391 178.546 176.094 0.102 0.000 1.064 469 V CA 1.791 64.178 62.300 0.145 0.000 1.066 469 V CB -1.479 30.354 31.823 0.018 0.000 0.667 469 V HN -0.020 nan 8.190 nan 0.000 0.461 470 F N 1.253 121.133 119.950 -0.116 0.000 2.161 470 F HA -0.220 4.307 4.527 0.000 0.000 0.300 470 F C 2.142 178.054 175.800 0.188 0.000 1.089 470 F CA 2.207 60.145 58.000 -0.104 0.000 1.282 470 F CB -0.347 38.481 39.000 -0.286 0.000 1.010 470 F HN 0.377 nan 8.300 nan 0.000 0.485 471 H N -1.555 117.885 119.070 0.616 0.000 2.539 471 H HA 0.131 4.687 4.556 0.000 0.000 0.267 471 H C 0.347 175.943 175.328 0.447 0.000 0.982 471 H CA 0.171 56.530 56.048 0.519 0.000 1.146 471 H CB -0.159 29.881 29.762 0.463 0.000 1.382 471 H HN 0.157 nan 8.280 nan 0.000 0.577 472 Q N 1.959 122.040 119.800 0.469 0.000 2.274 472 Q HA 0.129 4.469 4.340 0.000 0.000 0.256 472 Q C -0.692 175.531 176.000 0.371 0.000 0.927 472 Q CA -0.365 55.657 55.803 0.364 0.000 0.939 472 Q CB 0.654 29.569 28.738 0.294 0.000 1.201 472 Q HN 0.343 nan 8.270 nan 0.000 0.426 473 E N 3.759 124.125 120.200 0.276 0.000 2.338 473 E HA 0.288 4.638 4.350 0.000 0.000 0.272 473 E C -0.557 176.162 176.600 0.199 0.000 1.029 473 E CA 0.111 56.634 56.400 0.206 0.000 0.872 473 E CB 0.883 30.689 29.700 0.176 0.000 1.015 473 E HN 0.607 nan 8.360 nan 0.000 0.417 474 M N 2.284 122.006 119.600 0.202 0.000 2.644 474 M HA 0.409 4.889 4.480 0.000 0.000 0.304 474 M C -1.258 175.152 176.300 0.184 0.000 1.215 474 M CA -1.081 54.357 55.300 0.229 0.000 0.871 474 M CB 1.607 34.384 32.600 0.294 0.000 1.740 474 M HN 0.221 nan 8.290 nan 0.000 0.464 475 L N 2.101 123.457 121.223 0.221 0.000 2.333 475 L HA 0.508 4.848 4.340 0.000 0.000 0.280 475 L C -0.840 176.144 176.870 0.190 0.000 1.004 475 L CA -0.189 54.796 54.840 0.241 0.000 0.820 475 L CB 1.494 43.761 42.059 0.346 0.000 1.247 475 L HN 0.570 nan 8.230 nan 0.000 0.416 476 N N 3.646 122.452 118.700 0.176 0.000 2.424 476 N HA 0.547 5.287 4.740 0.000 0.000 0.271 476 N C -1.660 173.952 175.510 0.170 0.000 0.985 476 N CA -0.173 52.917 53.050 0.067 0.000 0.921 476 N CB 0.721 39.259 38.487 0.085 0.000 1.149 476 N HN 0.416 nan 8.380 nan 0.000 0.492 477 Y N -0.218 120.113 120.300 0.051 0.000 2.609 477 Y HA 0.552 5.102 4.550 0.000 0.000 0.336 477 Y C -1.227 174.643 175.900 -0.050 0.000 1.129 477 Y CA -1.335 56.770 58.100 0.008 0.000 1.040 477 Y CB 0.536 39.013 38.460 0.028 0.000 1.310 477 Y HN -0.006 nan 8.280 nan 0.000 0.460 478 V N 4.225 124.140 119.914 0.002 0.000 2.364 478 V HA 0.367 4.487 4.120 0.000 0.000 0.272 478 V C 0.201 176.193 176.094 -0.169 0.000 1.036 478 V CA -0.368 61.717 62.300 -0.358 0.000 0.880 478 V CB 0.393 31.854 31.823 -0.603 0.000 0.991 478 V HN 0.753 nan 8.190 nan 0.000 0.460 479 L N 2.951 124.112 121.223 -0.102 0.000 2.805 479 L HA 0.741 5.081 4.340 0.000 0.000 0.242 479 L C 0.341 177.213 176.870 0.003 0.000 1.180 479 L CA -0.451 54.406 54.840 0.028 0.000 1.001 479 L CB 1.577 43.696 42.059 0.100 0.000 1.864 479 L HN 0.634 nan 8.230 nan 0.000 0.551 480 S N -0.760 114.974 115.700 0.057 0.000 2.566 480 S HA 0.505 4.975 4.470 0.000 0.000 0.273 480 S C -2.690 171.957 174.600 0.078 0.000 1.157 480 S CA -1.032 57.208 58.200 0.066 0.000 0.938 480 S CB 1.800 65.030 63.200 0.050 0.000 1.087 480 S HN 0.141 nan 8.310 nan 0.000 0.474 481 P HA 0.419 nan 4.420 nan 0.000 0.270 481 P C -1.263 176.011 177.300 -0.043 0.000 1.227 481 P CA -0.011 63.052 63.100 -0.062 0.000 0.788 481 P CB 0.222 31.812 31.700 -0.183 0.000 0.926 482 F N 0.154 119.907 119.950 -0.329 0.000 2.678 482 F HA 0.405 4.932 4.527 0.000 0.000 0.308 482 F C -1.691 173.819 175.800 -0.482 0.000 1.118 482 F CA -0.727 57.005 58.000 -0.447 0.000 0.959 482 F CB 1.114 39.836 39.000 -0.463 0.000 1.305 482 F HN 0.146 nan 8.300 nan 0.000 0.443 483 Y N 4.486 124.231 120.300 -0.924 0.000 2.434 483 Y HA 0.432 4.982 4.550 0.000 0.000 0.341 483 Y C -0.835 174.698 175.900 -0.611 0.000 0.965 483 Y CA -0.853 56.915 58.100 -0.553 0.000 1.205 483 Y CB 0.245 38.396 38.460 -0.516 0.000 1.121 483 Y HN 0.384 nan 8.280 nan 0.000 0.507 484 Y N 1.229 121.578 120.300 0.082 0.000 2.432 484 Y HA 0.380 4.930 4.550 0.000 0.000 0.322 484 Y C -0.236 175.663 175.900 -0.002 0.000 1.246 484 Y CA -0.837 57.317 58.100 0.091 0.000 1.268 484 Y CB 0.816 39.390 38.460 0.189 0.000 1.276 484 Y HN 0.394 nan 8.280 nan 0.000 0.499 485 Y N 0.349 120.838 120.300 0.315 0.000 2.326 485 Y HA 0.383 4.933 4.550 0.000 0.000 0.324 485 Y C -0.055 175.915 175.900 0.116 0.000 1.291 485 Y CA -0.985 57.206 58.100 0.153 0.000 1.348 485 Y CB 0.715 39.238 38.460 0.106 0.000 1.294 485 Y HN 0.396 nan 8.280 nan 0.000 0.525 486 Q N 0.854 120.775 119.800 0.202 0.000 2.451 486 Q HA 0.460 4.800 4.340 0.000 0.000 0.281 486 Q C -1.183 174.783 176.000 -0.056 0.000 1.099 486 Q CA -1.191 54.644 55.803 0.054 0.000 0.806 486 Q CB 2.632 31.375 28.738 0.007 0.000 1.419 486 Q HN 0.379 nan 8.270 nan 0.000 0.427 487 I N 1.985 122.488 120.570 -0.112 0.000 2.692 487 I HA -0.021 4.149 4.170 0.000 0.000 0.284 487 I C 0.720 176.613 176.117 -0.373 0.000 1.159 487 I CA 0.188 61.367 61.300 -0.202 0.000 1.423 487 I CB 0.086 37.980 38.000 -0.177 0.000 1.380 487 I HN 0.535 nan 8.210 nan 0.000 0.580 488 E N 8.131 128.002 120.200 -0.549 0.000 2.694 488 E HA -0.081 4.269 4.350 0.000 0.000 0.250 488 E C -1.395 174.572 176.600 -1.056 0.000 0.963 488 E CA -0.937 54.826 56.400 -1.062 0.000 0.949 488 E CB 0.239 29.047 29.700 -1.486 0.000 0.911 488 E HN 0.387 nan 8.360 nan 0.000 0.500 489 P HA -0.184 nan 4.420 nan 0.000 0.216 489 P C 1.182 177.920 177.300 -0.937 0.000 1.150 489 P CA 1.499 64.006 63.100 -0.988 0.000 0.837 489 P CB -0.202 30.654 31.700 -1.407 0.000 0.786 490 W N 0.864 121.650 121.300 -0.857 0.000 2.611 490 W HA 0.164 4.824 4.660 0.000 0.000 0.251 490 W C 1.593 178.086 176.519 -0.043 0.000 1.265 490 W CA 0.324 57.457 57.345 -0.352 0.000 1.295 490 W CB -1.213 28.240 29.460 -0.011 0.000 1.129 490 W HN -0.108 nan 8.180 nan 0.000 0.630 491 K N 0.329 120.552 120.400 -0.295 0.000 2.314 491 K HA 0.045 4.365 4.320 0.000 0.000 0.198 491 K C 1.672 178.232 176.600 -0.068 0.000 1.045 491 K CA 1.541 57.749 56.287 -0.132 0.000 0.988 491 K CB -0.038 32.306 32.500 -0.259 0.000 0.783 491 K HN 0.287 nan 8.250 nan 0.000 0.484 492 T N -2.947 111.538 114.554 -0.114 0.000 3.040 492 T HA 0.056 4.406 4.350 0.000 0.000 0.266 492 T C 0.116 174.802 174.700 -0.023 0.000 1.005 492 T CA -0.418 61.642 62.100 -0.066 0.000 0.906 492 T CB -0.200 68.607 68.868 -0.102 0.000 1.082 492 T HN 0.061 nan 8.240 nan 0.000 0.531 493 H N 1.389 120.397 119.070 -0.103 0.000 2.683 493 H HA 0.517 5.073 4.556 0.000 0.000 0.339 493 H C -0.429 174.849 175.328 -0.084 0.000 1.081 493 H CA -0.732 55.248 56.048 -0.115 0.000 1.432 493 H CB 0.316 30.001 29.762 -0.129 0.000 1.462 493 H HN 0.289 nan 8.280 nan 0.000 0.557 494 I N 6.019 126.127 120.570 -0.771 0.000 2.330 494 I HA 0.074 4.244 4.170 0.000 0.000 0.286 494 I C -0.444 175.274 176.117 -0.664 0.000 1.025 494 I CA -0.616 60.409 61.300 -0.459 0.000 1.197 494 I CB 0.381 38.233 38.000 -0.246 0.000 1.358 494 I HN 0.539 nan 8.210 nan 0.000 0.467 495 W N 5.692 126.835 121.300 -0.261 0.000 2.193 495 W HA 0.083 4.743 4.660 0.000 0.000 0.338 495 W C 1.532 178.027 176.519 -0.041 0.000 1.310 495 W CA -0.220 57.098 57.345 -0.045 0.000 1.243 495 W CB 0.416 29.927 29.460 0.085 0.000 1.165 495 W HN 0.501 nan 8.180 nan 0.000 0.566 496 Q N 1.267 121.213 119.800 0.242 0.000 2.033 496 Q HA -0.027 4.313 4.340 0.000 0.000 0.196 496 Q C 0.647 176.731 176.000 0.142 0.000 0.970 496 Q CA 1.252 57.134 55.803 0.133 0.000 0.828 496 Q CB -0.264 28.535 28.738 0.102 0.000 0.895 496 Q HN 0.541 nan 8.270 nan 0.000 0.440 497 N N 0.000 118.811 118.700 0.185 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.114 53.050 0.107 0.000 0.885 497 N CB 0.000 38.526 38.487 0.065 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667