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 3e7m_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTXXX XXCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ 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 0.000 176.176 176.000 0.294 0.000 1.003 77 Q CA 0.000 55.865 55.803 0.103 0.000 1.022 77 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 78 Y N -2.545 117.824 120.300 0.115 0.000 2.624 78 Y HA 0.781 5.331 4.550 0.000 0.000 0.334 78 Y C -0.824 175.063 175.900 -0.021 0.000 1.155 78 Y CA -1.884 56.258 58.100 0.069 0.000 1.046 78 Y CB 1.214 39.674 38.460 -0.001 0.000 1.316 78 Y HN 0.206 nan 8.280 nan 0.000 0.457 79 V N 3.042 123.043 119.914 0.145 0.000 2.427 79 V HA 0.490 4.610 4.120 0.000 0.000 0.286 79 V C 0.048 176.256 176.094 0.190 0.000 1.034 79 V CA -0.798 61.505 62.300 0.005 0.000 0.893 79 V CB 1.292 32.964 31.823 -0.252 0.000 0.982 79 V HN 0.810 nan 8.190 nan 0.000 0.452 80 R N 4.608 125.209 120.500 0.169 0.000 2.389 80 R HA 0.450 4.790 4.340 0.000 0.000 0.295 80 R C -1.056 175.327 176.300 0.139 0.000 1.075 80 R CA -0.291 55.944 56.100 0.225 0.000 1.005 80 R CB 0.446 30.854 30.300 0.181 0.000 0.987 80 R HN 0.527 nan 8.270 nan 0.000 0.452 81 I N 4.215 124.855 120.570 0.118 0.000 2.498 81 I HA 0.325 4.495 4.170 0.000 0.000 0.290 81 I C -0.425 175.675 176.117 -0.027 0.000 1.032 81 I CA -0.590 60.739 61.300 0.049 0.000 1.073 81 I CB 1.730 39.741 38.000 0.019 0.000 1.251 81 I HN 0.657 nan 8.210 nan 0.000 0.426 82 K N 4.569 124.950 120.400 -0.032 0.000 2.318 82 K HA 0.419 4.739 4.320 0.000 0.000 0.249 82 K C -0.868 175.645 176.600 -0.144 0.000 0.942 82 K CA -0.629 55.547 56.287 -0.185 0.000 0.808 82 K CB 2.138 34.386 32.500 -0.419 0.000 1.189 82 K HN 0.619 nan 8.250 nan 0.000 0.428 83 N N 3.167 121.760 118.700 -0.178 0.000 2.457 83 N HA 0.191 4.931 4.740 0.000 0.000 0.250 83 N C -0.525 174.940 175.510 -0.076 0.000 0.982 83 N CA -0.686 52.361 53.050 -0.006 0.000 0.941 83 N CB 0.526 39.017 38.487 0.008 0.000 1.120 83 N HN 0.550 nan 8.380 nan 0.000 0.505 84 W N 2.439 123.817 121.300 0.130 0.000 3.096 84 W HA 0.255 4.915 4.660 0.000 0.000 0.241 84 W C 1.685 178.259 176.519 0.092 0.000 1.316 84 W CA -0.286 57.131 57.345 0.121 0.000 1.520 84 W CB 0.320 29.875 29.460 0.159 0.000 1.128 84 W HN 0.680 nan 8.180 nan 0.000 0.707 85 G N -0.861 108.050 108.800 0.185 0.000 2.742 85 G HA2 -0.097 3.863 3.960 0.000 0.000 0.204 85 G HA3 -0.097 3.863 3.960 0.000 0.000 0.204 85 G C 1.494 176.395 174.900 0.002 0.000 1.126 85 G CA 0.762 45.877 45.100 0.025 0.000 0.829 85 G HN 0.214 nan 8.290 nan 0.000 0.574 86 S N -0.987 114.711 115.700 -0.002 0.000 2.502 86 S HA 0.379 4.849 4.470 0.000 0.000 0.215 86 S C 1.926 176.488 174.600 -0.063 0.000 1.009 86 S CA 1.132 59.314 58.200 -0.029 0.000 0.908 86 S CB 0.362 63.546 63.200 -0.027 0.000 0.801 86 S HN 1.536 nan 8.310 nan 0.000 0.505 87 G N 1.323 110.061 108.800 -0.103 0.000 2.205 87 G HA2 -0.234 3.726 3.960 0.000 0.000 0.261 87 G HA3 -0.234 3.726 3.960 0.000 0.000 0.261 87 G C -0.147 174.647 174.900 -0.176 0.000 0.980 87 G CA 0.153 45.149 45.100 -0.174 0.000 0.632 87 G HN 0.534 nan 8.290 nan 0.000 0.533 88 E N 0.597 120.715 120.200 -0.136 0.000 2.452 88 E HA 0.232 4.582 4.350 0.000 0.000 0.261 88 E C 0.615 177.113 176.600 -0.170 0.000 0.987 88 E CA 0.313 56.631 56.400 -0.137 0.000 0.926 88 E CB 0.873 30.504 29.700 -0.115 0.000 0.934 88 E HN 0.322 nan 8.360 nan 0.000 0.452 89 I N 3.567 124.033 120.570 -0.174 0.000 2.493 89 I HA 0.385 4.555 4.170 0.000 0.000 0.298 89 I C 0.251 176.228 176.117 -0.233 0.000 0.998 89 I CA -0.664 60.532 61.300 -0.174 0.000 1.137 89 I CB 1.026 38.946 38.000 -0.133 0.000 1.310 89 I HN 0.296 nan 8.210 nan 0.000 0.445 90 L N 5.139 126.238 121.223 -0.207 0.000 2.388 90 L HA 0.479 4.819 4.340 0.000 0.000 0.264 90 L C -0.668 176.207 176.870 0.008 0.000 0.998 90 L CA -0.687 53.997 54.840 -0.260 0.000 0.817 90 L CB 2.511 44.237 42.059 -0.554 0.000 1.338 90 L HN 0.539 nan 8.230 nan 0.000 0.414 91 H N 1.027 120.083 119.070 -0.023 0.000 2.511 91 H HA 0.197 4.753 4.556 0.000 0.000 0.328 91 H C -1.165 174.302 175.328 0.232 0.000 1.044 91 H CA -0.774 55.273 56.048 -0.002 0.000 1.212 91 H CB 2.205 31.705 29.762 -0.437 0.000 1.428 91 H HN 0.425 nan 8.280 nan 0.000 0.483 92 D N 2.735 123.382 120.400 0.412 0.000 2.274 92 D HA 0.035 4.675 4.640 0.000 0.000 0.239 92 D C 0.723 177.165 176.300 0.238 0.000 1.104 92 D CA -0.159 54.030 54.000 0.316 0.000 0.840 92 D CB 1.432 42.395 40.800 0.272 0.000 1.100 92 D HN 0.734 nan 8.370 nan 0.000 0.477 93 T N 0.967 115.600 114.554 0.132 0.000 2.959 93 T HA -0.027 4.323 4.350 0.000 0.000 0.254 93 T C 1.804 176.418 174.700 -0.143 0.000 1.003 93 T CA -0.251 61.861 62.100 0.020 0.000 0.950 93 T CB 0.068 68.998 68.868 0.103 0.000 1.090 93 T HN 0.242 nan 8.240 nan 0.000 0.503 94 L N 3.146 124.318 121.223 -0.084 0.000 2.191 94 L HA -0.055 4.285 4.340 0.000 0.000 0.212 94 L C 2.556 179.252 176.870 -0.291 0.000 1.103 94 L CA 1.815 56.589 54.840 -0.109 0.000 0.769 94 L CB -0.856 41.187 42.059 -0.027 0.000 0.908 94 L HN 0.573 nan 8.230 nan 0.000 0.438 95 H N -2.331 116.313 119.070 -0.709 0.000 2.518 95 H HA -0.193 4.363 4.556 0.000 0.000 0.292 95 H C 1.709 176.724 175.328 -0.522 0.000 1.068 95 H CA 1.896 57.226 56.048 -1.197 0.000 1.275 95 H CB -1.125 27.957 29.762 -1.134 0.000 1.375 95 H HN 0.592 nan 8.280 nan 0.000 0.563 96 H N 1.208 119.777 119.070 -0.836 0.000 2.456 96 H HA 0.011 4.567 4.556 0.000 0.000 0.296 96 H C 1.426 176.590 175.328 -0.273 0.000 1.079 96 H CA 0.934 56.655 56.048 -0.544 0.000 1.322 96 H CB 0.305 29.813 29.762 -0.423 0.000 1.388 96 H HN 0.378 nan 8.280 nan 0.000 0.538 97 K N 0.823 121.159 120.400 -0.106 0.000 2.476 97 K HA 0.214 4.534 4.320 0.000 0.000 0.196 97 K C 0.500 177.079 176.600 -0.036 0.000 1.025 97 K CA -0.192 56.070 56.287 -0.043 0.000 1.138 97 K CB 0.694 33.185 32.500 -0.014 0.000 0.860 97 K HN 0.149 nan 8.250 nan 0.000 0.515 98 A N 1.692 124.470 122.820 -0.070 0.000 2.448 98 A HA 0.114 4.434 4.320 0.000 0.000 0.239 98 A C 1.055 178.611 177.584 -0.046 0.000 1.080 98 A CA -0.074 51.941 52.037 -0.038 0.000 0.779 98 A CB 0.179 19.158 19.000 -0.036 0.000 1.026 98 A HN 0.357 nan 8.150 nan 0.000 0.499 99 T N -0.318 114.187 114.554 -0.083 0.000 3.440 99 T HA 0.389 4.739 4.350 0.000 0.000 0.308 99 T C 1.294 175.967 174.700 -0.045 0.000 1.249 99 T CA 0.543 62.602 62.100 -0.068 0.000 0.903 99 T CB -0.551 68.254 68.868 -0.105 0.000 2.240 99 T HN 0.876 nan 8.240 nan 0.000 0.546 100 S N 0.194 115.869 115.700 -0.041 0.000 2.817 100 S HA 0.024 4.494 4.470 0.000 0.000 0.252 100 S C -0.003 174.601 174.600 0.007 0.000 1.397 100 S CA -0.232 57.961 58.200 -0.011 0.000 0.986 100 S CB -1.079 62.113 63.200 -0.012 0.000 0.947 100 S HN 0.644 nan 8.310 nan 0.000 0.554 101 D N 0.585 121.008 120.400 0.038 0.000 2.414 101 D HA 0.182 4.822 4.640 0.000 0.000 0.242 101 D C 0.131 176.522 176.300 0.152 0.000 1.129 101 D CA 0.095 54.148 54.000 0.089 0.000 0.885 101 D CB 0.422 41.269 40.800 0.079 0.000 1.198 101 D HN 0.295 nan 8.370 nan 0.000 0.437 102 F N 0.949 120.913 119.950 0.024 0.000 2.681 102 F HA 0.197 4.724 4.527 0.000 0.000 0.171 102 F C 1.154 176.975 175.800 0.035 0.000 1.088 102 F CA -0.320 57.697 58.000 0.028 0.000 0.948 102 F CB -0.329 38.694 39.000 0.038 0.000 2.226 102 F HN 0.295 nan 8.300 nan 0.000 0.648 110 L N 5.628 126.805 121.223 -0.077 0.000 3.141 110 L HA 0.408 4.748 4.340 0.000 0.000 0.263 110 L C 1.810 178.648 176.870 -0.053 0.000 1.312 110 L CA 0.856 55.668 54.840 -0.047 0.000 1.012 110 L CB 0.475 42.516 42.059 -0.031 0.000 1.408 110 L HN 0.936 nan 8.230 nan 0.000 0.559 111 G N -0.009 108.754 108.800 -0.062 0.000 2.432 111 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 111 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 111 G C 1.464 176.398 174.900 0.056 0.000 1.135 111 G CA 1.085 46.164 45.100 -0.035 0.000 0.767 111 G HN 0.522 nan 8.290 nan 0.000 0.550 112 S N 0.032 115.772 115.700 0.066 0.000 2.660 112 S HA 0.355 4.825 4.470 0.000 0.000 0.227 112 S C 0.553 175.230 174.600 0.128 0.000 0.948 112 S CA -0.597 57.672 58.200 0.115 0.000 0.948 112 S CB -0.074 63.178 63.200 0.086 0.000 0.779 112 S HN 0.023 nan 8.310 nan 0.000 0.487 113 I N 2.261 122.900 120.570 0.115 0.000 2.416 113 I HA 0.246 4.416 4.170 0.000 0.000 0.288 113 I C 1.355 177.581 176.117 0.182 0.000 1.051 113 I CA -0.280 61.092 61.300 0.121 0.000 1.375 113 I CB 0.752 38.807 38.000 0.091 0.000 1.407 113 I HN 0.311 nan 8.210 nan 0.000 0.516 114 M N 5.867 125.578 119.600 0.186 0.000 2.077 114 M HA -0.074 4.406 4.480 0.000 0.000 0.261 114 M C 0.498 176.908 176.300 0.183 0.000 1.070 114 M CA 1.949 57.396 55.300 0.245 0.000 1.125 114 M CB 0.053 32.763 32.600 0.183 0.000 1.339 114 M HN 0.489 nan 8.290 nan 0.000 0.409 115 N N 1.169 119.926 118.700 0.095 0.000 2.904 115 N HA 0.366 5.106 4.740 0.000 0.000 0.257 115 N C -2.635 172.953 175.510 0.130 0.000 1.363 115 N CA -0.935 52.151 53.050 0.060 0.000 0.856 115 N CB 0.385 38.806 38.487 -0.110 0.000 1.166 115 N HN 0.305 nan 8.380 nan 0.000 0.499 116 P HA 0.240 nan 4.420 nan 0.000 0.277 116 P C 0.555 177.970 177.300 0.192 0.000 1.240 116 P CA -0.358 62.845 63.100 0.173 0.000 0.798 116 P CB 2.048 33.863 31.700 0.192 0.000 0.979 117 K N 0.526 121.013 120.400 0.144 0.000 2.211 117 K HA -0.106 4.214 4.320 0.000 0.000 0.204 117 K C 2.013 178.704 176.600 0.152 0.000 1.047 117 K CA 1.908 58.270 56.287 0.126 0.000 0.935 117 K CB -0.334 32.216 32.500 0.083 0.000 0.728 117 K HN 0.548 nan 8.250 nan 0.000 0.452 118 S N 0.743 116.559 115.700 0.194 0.000 2.474 118 S HA -0.064 4.406 4.470 0.000 0.000 0.235 118 S C 1.582 176.301 174.600 0.197 0.000 0.997 118 S CA 0.778 59.094 58.200 0.194 0.000 0.949 118 S CB -0.175 63.230 63.200 0.341 0.000 0.766 118 S HN 0.227 nan 8.310 nan 0.000 0.517 119 L N 1.099 122.484 121.223 0.270 0.000 2.728 119 L HA 0.299 4.639 4.340 0.000 0.000 0.238 119 L C -0.174 176.963 176.870 0.445 0.000 1.143 119 L CA -0.060 54.962 54.840 0.302 0.000 0.937 119 L CB 0.252 42.446 42.059 0.226 0.000 1.225 119 L HN 0.185 nan 8.230 nan 0.000 0.507 120 T N -0.047 114.727 114.554 0.366 0.000 2.829 120 T HA 0.452 4.802 4.350 0.000 0.000 0.280 120 T C -0.496 174.244 174.700 0.067 0.000 0.999 120 T CA -0.471 61.795 62.100 0.278 0.000 0.983 120 T CB 2.325 71.309 68.868 0.195 0.000 0.968 120 T HN -0.085 nan 8.240 nan 0.000 0.446 121 R N 1.917 122.410 120.500 -0.012 0.000 2.358 121 R HA 0.599 4.939 4.340 0.000 0.000 0.309 121 R C 0.457 176.707 176.300 -0.082 0.000 1.026 121 R CA -0.426 55.550 56.100 -0.207 0.000 0.909 121 R CB 0.233 30.269 30.300 -0.440 0.000 1.153 121 R HN 0.825 nan 8.270 nan 0.000 0.515 122 G N 3.538 112.293 108.800 -0.075 0.000 2.570 122 G HA2 0.322 4.282 3.960 0.000 0.000 0.276 122 G HA3 0.322 4.282 3.960 0.000 0.000 0.276 122 G C -2.002 172.864 174.900 -0.057 0.000 1.346 122 G CA -0.864 44.201 45.100 -0.057 0.000 1.034 122 G HN 0.600 nan 8.290 nan 0.000 0.512 123 P HA 0.392 nan 4.420 nan 0.000 0.276 123 P C -0.760 176.518 177.300 -0.037 0.000 1.261 123 P CA -0.339 62.734 63.100 -0.045 0.000 0.800 123 P CB 1.423 33.092 31.700 -0.053 0.000 1.066 124 R N -0.036 120.448 120.500 -0.026 0.000 2.836 124 R HA 0.349 4.689 4.340 0.000 0.000 0.269 124 R C -0.329 175.963 176.300 -0.012 0.000 1.010 124 R CA -0.543 55.545 56.100 -0.019 0.000 0.930 124 R CB 1.207 31.498 30.300 -0.015 0.000 1.218 124 R HN 0.421 nan 8.270 nan 0.000 0.473 125 D N -0.569 119.827 120.400 -0.008 0.000 2.527 125 D HA 0.169 4.809 4.640 0.000 0.000 0.224 125 D C -0.439 175.866 176.300 0.009 0.000 1.217 125 D CA -0.147 53.850 54.000 -0.004 0.000 0.819 125 D CB 0.610 41.404 40.800 -0.011 0.000 1.061 125 D HN 0.174 nan 8.370 nan 0.000 0.515 126 K N 0.093 120.499 120.400 0.009 0.000 2.532 126 K HA 0.493 4.813 4.320 0.000 0.000 0.265 126 K C -2.979 173.629 176.600 0.012 0.000 0.948 126 K CA -1.970 54.326 56.287 0.014 0.000 0.842 126 K CB 2.395 34.900 32.500 0.008 0.000 1.392 126 K HN -0.210 nan 8.250 nan 0.000 0.436 127 P HA 0.015 nan 4.420 nan 0.000 0.270 127 P C -0.743 176.563 177.300 0.009 0.000 1.223 127 P CA -0.138 62.968 63.100 0.011 0.000 0.785 127 P CB 0.347 32.056 31.700 0.014 0.000 0.923 128 T N 3.500 118.059 114.554 0.009 0.000 2.853 128 T HA 0.158 4.508 4.350 0.000 0.000 0.298 128 T C -2.096 172.616 174.700 0.019 0.000 0.978 128 T CA -0.641 61.468 62.100 0.017 0.000 1.152 128 T CB -0.594 68.291 68.868 0.029 0.000 0.914 128 T HN 0.290 nan 8.240 nan 0.000 0.539 129 P HA 0.062 nan 4.420 nan 0.000 0.262 129 P C 0.623 177.926 177.300 0.004 0.000 1.182 129 P CA -0.251 62.852 63.100 0.006 0.000 0.761 129 P CB 0.418 32.118 31.700 -0.001 0.000 0.795 130 L N 3.380 124.605 121.223 0.003 0.000 2.127 130 L HA -0.208 4.132 4.340 0.000 0.000 0.211 130 L C 2.291 179.149 176.870 -0.021 0.000 1.089 130 L CA 1.734 56.575 54.840 0.001 0.000 0.757 130 L CB -1.111 40.950 42.059 0.002 0.000 0.899 130 L HN 0.505 nan 8.230 nan 0.000 0.434 131 E N -0.131 120.052 120.200 -0.028 0.000 2.268 131 E HA -0.215 4.135 4.350 0.000 0.000 0.195 131 E C 1.449 177.998 176.600 -0.085 0.000 0.995 131 E CA 1.275 57.647 56.400 -0.047 0.000 0.836 131 E CB -0.190 29.487 29.700 -0.037 0.000 0.763 131 E HN 0.642 nan 8.360 nan 0.000 0.491 132 E N 0.340 120.490 120.200 -0.083 0.000 2.127 132 E HA -0.006 4.344 4.350 0.000 0.000 0.191 132 E C 2.139 178.618 176.600 -0.201 0.000 0.964 132 E CA 0.257 56.562 56.400 -0.159 0.000 0.832 132 E CB -0.102 29.565 29.700 -0.054 0.000 0.790 132 E HN 0.097 nan 8.360 nan 0.000 0.465 133 L N 1.675 122.877 121.223 -0.035 0.000 1.994 133 L HA -0.156 4.184 4.340 0.000 0.000 0.208 133 L C 2.240 179.127 176.870 0.029 0.000 1.071 133 L CA 1.421 56.295 54.840 0.058 0.000 0.745 133 L CB -0.648 41.466 42.059 0.092 0.000 0.892 133 L HN 0.123 nan 8.230 nan 0.000 0.431 134 L N 0.211 121.420 121.223 -0.024 0.000 2.013 134 L HA -0.125 4.215 4.340 0.000 0.000 0.212 134 L C -0.450 176.393 176.870 -0.044 0.000 1.073 134 L CA 2.224 57.038 54.840 -0.044 0.000 0.753 134 L CB -1.920 40.110 42.059 -0.048 0.000 0.890 134 L HN 0.207 nan 8.230 nan 0.000 0.432 135 P HA -0.131 nan 4.420 nan 0.000 0.216 135 P C 1.250 178.563 177.300 0.021 0.000 1.153 135 P CA 1.511 64.561 63.100 -0.083 0.000 0.848 135 P CB -0.182 31.409 31.700 -0.183 0.000 0.787 136 H N -0.665 118.446 119.070 0.068 0.000 2.389 136 H HA 0.057 4.613 4.556 0.000 0.000 0.299 136 H C 1.964 177.391 175.328 0.164 0.000 1.081 136 H CA 1.371 57.484 56.048 0.108 0.000 1.345 136 H CB -1.081 28.740 29.762 0.098 0.000 1.393 136 H HN 0.044 nan 8.280 nan 0.000 0.520 137 A N 1.557 124.523 122.820 0.243 0.000 1.877 137 A HA -0.125 4.195 4.320 0.000 0.000 0.216 137 A C 2.440 180.120 177.584 0.161 0.000 1.186 137 A CA 1.325 53.464 52.037 0.169 0.000 0.620 137 A CB -0.526 18.351 19.000 -0.205 0.000 0.822 137 A HN 0.183 nan 8.150 nan 0.000 0.443 138 I N 0.101 120.724 120.570 0.088 0.000 2.163 138 I HA -0.230 3.940 4.170 0.000 0.000 0.243 138 I C 2.471 178.679 176.117 0.152 0.000 1.085 138 I CA 2.104 63.459 61.300 0.092 0.000 1.347 138 I CB -1.436 36.593 38.000 0.049 0.000 1.044 138 I HN 0.507 nan 8.210 nan 0.000 0.408 139 E N 1.299 121.605 120.200 0.178 0.000 2.070 139 E HA -0.294 4.056 4.350 0.000 0.000 0.197 139 E C 2.216 178.955 176.600 0.233 0.000 1.004 139 E CA 1.637 58.152 56.400 0.191 0.000 0.805 139 E CB -0.659 29.168 29.700 0.212 0.000 0.744 139 E HN 0.363 nan 8.360 nan 0.000 0.451 140 F N 0.676 120.726 119.950 0.167 0.000 2.102 140 F HA -0.119 4.408 4.527 0.000 0.000 0.298 140 F C 1.891 177.811 175.800 0.200 0.000 1.105 140 F CA 1.297 59.413 58.000 0.193 0.000 1.239 140 F CB -0.302 38.827 39.000 0.216 0.000 0.991 140 F HN 0.057 nan 8.300 nan 0.000 0.474 141 I N 1.016 121.593 120.570 0.011 0.000 2.264 141 I HA -0.310 3.860 4.170 0.000 0.000 0.248 141 I C 1.965 178.096 176.117 0.024 0.000 1.111 141 I CA 1.200 62.485 61.300 -0.025 0.000 1.382 141 I CB -1.703 36.407 38.000 0.184 0.000 1.060 141 I HN 0.254 nan 8.210 nan 0.000 0.418 142 N N 0.747 119.506 118.700 0.098 0.000 2.142 142 N HA -0.217 4.523 4.740 0.000 0.000 0.186 142 N C 1.848 177.336 175.510 -0.037 0.000 1.023 142 N CA 1.016 54.143 53.050 0.128 0.000 0.852 142 N CB -0.420 38.178 38.487 0.185 0.000 0.998 142 N HN 0.523 nan 8.380 nan 0.000 0.424 143 Q N -0.236 119.532 119.800 -0.053 0.000 2.084 143 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 143 Q C 2.026 177.845 176.000 -0.302 0.000 0.978 143 Q CA 1.207 56.973 55.803 -0.062 0.000 0.844 143 Q CB -0.201 28.597 28.738 0.099 0.000 0.898 143 Q HN 0.495 nan 8.270 nan 0.000 0.426 144 Y N -0.204 119.654 120.300 -0.736 0.000 2.070 144 Y HA -0.319 4.231 4.550 0.000 0.000 0.280 144 Y C 1.697 176.948 175.900 -1.083 0.000 1.148 144 Y CA 2.117 59.443 58.100 -1.290 0.000 1.125 144 Y CB -0.469 37.223 38.460 -1.280 0.000 0.975 144 Y HN 0.170 nan 8.280 nan 0.000 0.492 145 Y N 0.080 119.971 120.300 -0.682 0.000 2.421 145 Y HA -0.043 4.507 4.550 0.000 0.000 0.292 145 Y C 2.490 178.161 175.900 -0.383 0.000 1.136 145 Y CA 1.197 58.998 58.100 -0.497 0.000 1.255 145 Y CB -0.756 37.285 38.460 -0.700 0.000 0.991 145 Y HN 0.272 nan 8.280 nan 0.000 0.552 146 G N -1.520 107.109 108.800 -0.286 0.000 2.848 146 G HA2 -0.095 3.865 3.960 0.000 0.000 0.208 146 G HA3 -0.095 3.865 3.960 0.000 0.000 0.208 146 G C 1.422 176.193 174.900 -0.216 0.000 1.152 146 G CA 0.795 45.807 45.100 -0.147 0.000 0.789 146 G HN 0.441 nan 8.290 nan 0.000 0.531 147 S N -0.577 114.829 115.700 -0.490 0.000 2.511 147 S HA 0.348 4.818 4.470 0.000 0.000 0.214 147 S C 0.402 174.740 174.600 -0.437 0.000 0.997 147 S CA -0.673 57.260 58.200 -0.446 0.000 0.908 147 S CB -0.087 62.779 63.200 -0.557 0.000 0.803 147 S HN -0.005 nan 8.310 nan 0.000 0.504 148 F N 2.942 122.733 119.950 -0.266 0.000 2.459 148 F HA 0.440 4.967 4.527 0.000 0.000 0.346 148 F C 1.670 177.410 175.800 -0.102 0.000 1.128 148 F CA -0.839 57.044 58.000 -0.196 0.000 1.268 148 F CB 0.731 39.599 39.000 -0.220 0.000 1.161 148 F HN 0.002 nan 8.300 nan 0.000 0.583 149 K N 0.841 121.322 120.400 0.135 0.000 2.025 149 K HA -0.059 4.261 4.320 0.000 0.000 0.207 149 K C -0.184 176.453 176.600 0.061 0.000 1.049 149 K CA 1.285 57.612 56.287 0.068 0.000 0.933 149 K CB 0.078 32.608 32.500 0.049 0.000 0.714 149 K HN 0.644 nan 8.250 nan 0.000 0.438 150 E N 0.798 121.034 120.200 0.059 0.000 2.114 150 E HA 0.281 4.631 4.350 0.000 0.000 0.266 150 E C -1.201 175.411 176.600 0.021 0.000 0.896 150 E CA -0.678 55.736 56.400 0.024 0.000 0.750 150 E CB 1.734 31.430 29.700 -0.007 0.000 1.121 150 E HN 0.325 nan 8.360 nan 0.000 0.413 151 A N 3.750 126.595 122.820 0.042 0.000 2.466 151 A HA 0.062 4.382 4.320 0.000 0.000 0.238 151 A C 0.137 177.721 177.584 0.000 0.000 1.074 151 A CA 0.198 52.270 52.037 0.060 0.000 0.774 151 A CB 0.277 19.324 19.000 0.080 0.000 1.015 151 A HN 0.592 nan 8.150 nan 0.000 0.498 152 K N 2.712 123.119 120.400 0.013 0.000 2.800 152 K HA 0.295 4.615 4.320 0.000 0.000 0.185 152 K C 0.377 176.974 176.600 -0.005 0.000 1.082 152 K CA -0.164 56.104 56.287 -0.031 0.000 0.978 152 K CB 0.457 32.902 32.500 -0.091 0.000 1.364 152 K HN 0.697 nan 8.250 nan 0.000 0.592 153 I N 0.632 121.206 120.570 0.006 0.000 2.145 153 I HA -0.404 3.766 4.170 0.000 0.000 0.244 153 I C 2.488 178.566 176.117 -0.065 0.000 1.075 153 I CA 1.673 62.968 61.300 -0.007 0.000 1.332 153 I CB -0.154 37.832 38.000 -0.022 0.000 1.033 153 I HN 0.601 nan 8.210 nan 0.000 0.410 154 E N 1.238 121.399 120.200 -0.064 0.000 2.038 154 E HA -0.267 4.083 4.350 0.000 0.000 0.195 154 E C 2.096 178.636 176.600 -0.100 0.000 1.000 154 E CA 1.676 58.032 56.400 -0.073 0.000 0.803 154 E CB -0.018 29.651 29.700 -0.051 0.000 0.750 154 E HN 0.505 nan 8.360 nan 0.000 0.448 155 E N -0.643 119.494 120.200 -0.106 0.000 2.110 155 E HA -0.243 4.107 4.350 0.000 0.000 0.193 155 E C 2.050 178.416 176.600 -0.390 0.000 0.988 155 E CA 1.185 57.507 56.400 -0.130 0.000 0.804 155 E CB -0.299 29.404 29.700 0.004 0.000 0.745 155 E HN 0.480 nan 8.360 nan 0.000 0.458 156 H N 0.514 119.113 119.070 -0.786 0.000 2.251 156 H HA -0.168 4.388 4.556 0.000 0.000 0.294 156 H C 2.113 177.155 175.328 -0.477 0.000 1.078 156 H CA 1.144 56.556 56.048 -1.059 0.000 1.246 156 H CB 0.165 29.573 29.762 -0.590 0.000 1.358 156 H HN 0.046 nan 8.280 nan 0.000 0.488 157 L N 0.622 121.715 121.223 -0.216 0.000 2.046 157 L HA -0.149 4.191 4.340 0.000 0.000 0.208 157 L C 2.974 179.780 176.870 -0.106 0.000 1.077 157 L CA 1.535 56.263 54.840 -0.187 0.000 0.747 157 L CB -1.802 40.156 42.059 -0.169 0.000 0.896 157 L HN 0.474 nan 8.230 nan 0.000 0.432 158 A N -0.087 122.676 122.820 -0.095 0.000 1.908 158 A HA -0.258 4.062 4.320 0.000 0.000 0.218 158 A C 2.464 180.039 177.584 -0.015 0.000 1.181 158 A CA 1.870 53.879 52.037 -0.047 0.000 0.627 158 A CB -0.460 18.520 19.000 -0.034 0.000 0.818 158 A HN 0.303 nan 8.150 nan 0.000 0.445 159 R N -0.010 120.481 120.500 -0.015 0.000 2.075 159 R HA 0.035 4.376 4.340 0.000 0.000 0.232 159 R C 1.900 178.238 176.300 0.063 0.000 1.126 159 R CA 1.496 57.641 56.100 0.075 0.000 0.963 159 R CB -0.910 29.513 30.300 0.206 0.000 0.858 159 R HN 0.515 nan 8.270 nan 0.000 0.435 160 L N 0.333 121.580 121.223 0.040 0.000 2.012 160 L HA -0.190 4.150 4.340 0.000 0.000 0.210 160 L C 2.580 179.443 176.870 -0.012 0.000 1.073 160 L CA 2.114 56.968 54.840 0.023 0.000 0.748 160 L CB -0.576 41.481 42.059 -0.003 0.000 0.891 160 L HN 0.419 nan 8.230 nan 0.000 0.431 161 E N 0.241 120.429 120.200 -0.020 0.000 2.051 161 E HA -0.258 4.092 4.350 0.000 0.000 0.192 161 E C 2.211 178.806 176.600 -0.009 0.000 0.991 161 E CA 1.247 57.635 56.400 -0.021 0.000 0.799 161 E CB -0.043 29.643 29.700 -0.024 0.000 0.748 161 E HN 0.444 nan 8.360 nan 0.000 0.449 162 A N 0.623 123.448 122.820 0.008 0.000 1.908 162 A HA -0.160 4.160 4.320 0.000 0.000 0.218 162 A C 2.423 180.020 177.584 0.021 0.000 1.181 162 A CA 1.667 53.719 52.037 0.025 0.000 0.627 162 A CB -0.749 18.281 19.000 0.049 0.000 0.818 162 A HN 0.246 nan 8.150 nan 0.000 0.445 163 V N -0.276 119.637 119.914 -0.002 0.000 2.307 163 V HA -0.225 3.895 4.120 0.000 0.000 0.245 163 V C 2.747 178.779 176.094 -0.103 0.000 1.045 163 V CA 2.449 64.701 62.300 -0.080 0.000 1.024 163 V CB -1.364 30.333 31.823 -0.210 0.000 0.651 163 V HN 0.620 nan 8.190 nan 0.000 0.449 164 T N -0.337 114.170 114.554 -0.078 0.000 2.684 164 T HA -0.239 4.111 4.350 0.000 0.000 0.267 164 T C 2.023 176.706 174.700 -0.027 0.000 1.036 164 T CA 1.650 63.714 62.100 -0.059 0.000 1.148 164 T CB -0.275 68.567 68.868 -0.043 0.000 0.863 164 T HN 0.265 nan 8.240 nan 0.000 0.436 165 K N 1.132 121.525 120.400 -0.012 0.000 2.057 165 K HA -0.011 4.309 4.320 0.000 0.000 0.207 165 K C 2.235 178.846 176.600 0.018 0.000 1.049 165 K CA 1.116 57.405 56.287 0.003 0.000 0.931 165 K CB -0.330 32.175 32.500 0.008 0.000 0.714 165 K HN 0.459 nan 8.250 nan 0.000 0.440 166 E N 0.058 120.276 120.200 0.031 0.000 2.110 166 E HA -0.120 4.230 4.350 0.000 0.000 0.193 166 E C 1.791 178.432 176.600 0.069 0.000 0.988 166 E CA 0.899 57.337 56.400 0.064 0.000 0.804 166 E CB 0.014 29.781 29.700 0.112 0.000 0.745 166 E HN 0.237 nan 8.360 nan 0.000 0.458 167 I N 0.815 121.413 120.570 0.047 0.000 2.252 167 I HA -0.226 3.944 4.170 0.000 0.000 0.245 167 I C 2.145 178.282 176.117 0.032 0.000 1.102 167 I CA 1.089 62.420 61.300 0.051 0.000 1.385 167 I CB -0.216 37.790 38.000 0.009 0.000 1.064 167 I HN 0.128 nan 8.210 nan 0.000 0.414 168 E N 0.358 120.568 120.200 0.016 0.000 2.072 168 E HA -0.196 4.154 4.350 0.000 0.000 0.191 168 E C 2.142 178.752 176.600 0.016 0.000 0.985 168 E CA 1.986 58.393 56.400 0.011 0.000 0.801 168 E CB -0.138 29.564 29.700 0.003 0.000 0.750 168 E HN 0.577 nan 8.360 nan 0.000 0.452 169 T N -1.838 112.728 114.554 0.021 0.000 3.043 169 T HA -0.036 4.314 4.350 0.000 0.000 0.263 169 T C 1.981 176.697 174.700 0.026 0.000 1.094 169 T CA 1.318 63.431 62.100 0.022 0.000 1.127 169 T CB 0.017 68.899 68.868 0.022 0.000 0.905 169 T HN 0.201 nan 8.240 nan 0.000 0.490 170 T N -3.405 111.171 114.554 0.036 0.000 2.958 170 T HA 0.520 4.870 4.350 0.000 0.000 0.256 170 T C 1.829 176.550 174.700 0.036 0.000 0.983 170 T CA 0.701 62.822 62.100 0.036 0.000 0.924 170 T CB 0.059 68.954 68.868 0.045 0.000 1.136 170 T HN 0.913 nan 8.240 nan 0.000 0.506 171 G N 0.236 109.062 108.800 0.043 0.000 2.176 171 G HA2 -0.129 3.831 3.960 0.000 0.000 0.253 171 G HA3 -0.129 3.831 3.960 0.000 0.000 0.253 171 G C 0.196 175.134 174.900 0.063 0.000 0.979 171 G CA 0.625 45.750 45.100 0.042 0.000 0.641 171 G HN 1.112 nan 8.290 nan 0.000 0.530 172 T N -1.623 112.990 114.554 0.097 0.000 2.669 172 T HA 0.641 4.991 4.350 0.000 0.000 0.302 172 T C -1.797 173.061 174.700 0.264 0.000 1.659 172 T CA 0.600 62.794 62.100 0.157 0.000 0.979 172 T CB 0.907 69.803 68.868 0.048 0.000 1.895 172 T HN 1.757 nan 8.240 nan 0.000 0.466 173 Y N -0.265 120.042 120.300 0.011 0.000 2.656 173 Y HA 0.794 5.344 4.550 0.000 0.000 0.334 173 Y C -1.588 174.331 175.900 0.032 0.000 1.179 173 Y CA -1.198 56.919 58.100 0.029 0.000 1.050 173 Y CB 0.875 39.365 38.460 0.051 0.000 1.308 173 Y HN 0.436 nan 8.280 nan 0.000 0.456 174 Q N 2.778 122.590 119.800 0.020 0.000 2.293 174 Q HA 0.489 4.829 4.340 0.000 0.000 0.261 174 Q C -0.689 175.321 176.000 0.017 0.000 0.960 174 Q CA -0.716 55.054 55.803 -0.055 0.000 0.882 174 Q CB 2.659 31.408 28.738 0.018 0.000 1.275 174 Q HN 0.851 nan 8.270 nan 0.000 0.445 175 L N 1.668 122.868 121.223 -0.038 0.000 2.452 175 L HA 0.223 4.564 4.340 0.000 0.000 0.267 175 L C 1.212 178.115 176.870 0.055 0.000 1.188 175 L CA -0.275 54.602 54.840 0.062 0.000 0.821 175 L CB 0.357 42.438 42.059 0.038 0.000 1.102 175 L HN 0.666 nan 8.230 nan 0.000 0.470 176 T N -0.980 113.603 114.554 0.049 0.000 2.788 176 T HA 0.127 4.477 4.350 0.000 0.000 0.287 176 T C 0.909 175.608 174.700 -0.002 0.000 1.007 176 T CA -0.710 61.404 62.100 0.023 0.000 1.005 176 T CB 1.017 69.892 68.868 0.011 0.000 1.012 176 T HN 0.472 nan 8.240 nan 0.000 0.530 177 L N 0.623 121.847 121.223 0.001 0.000 2.046 177 L HA 0.018 4.358 4.340 0.000 0.000 0.208 177 L C 2.155 179.027 176.870 0.004 0.000 1.077 177 L CA 2.143 56.976 54.840 -0.011 0.000 0.747 177 L CB -1.236 40.817 42.059 -0.010 0.000 0.896 177 L HN 0.940 nan 8.230 nan 0.000 0.432 178 D N -0.921 119.497 120.400 0.030 0.000 2.178 178 D HA -0.194 4.446 4.640 0.000 0.000 0.201 178 D C 2.022 178.370 176.300 0.080 0.000 0.980 178 D CA 1.245 55.302 54.000 0.095 0.000 0.842 178 D CB 0.095 41.004 40.800 0.182 0.000 0.948 178 D HN 0.532 nan 8.370 nan 0.000 0.472 179 E N -0.604 119.515 120.200 -0.135 0.000 2.072 179 E HA -0.140 4.210 4.350 0.000 0.000 0.191 179 E C 1.962 178.672 176.600 0.184 0.000 0.985 179 E CA 0.420 56.699 56.400 -0.201 0.000 0.801 179 E CB -0.058 29.513 29.700 -0.215 0.000 0.750 179 E HN 0.237 nan 8.360 nan 0.000 0.452 180 L N 1.209 122.466 121.223 0.057 0.000 2.017 180 L HA -0.157 4.183 4.340 0.000 0.000 0.208 180 L C 2.034 178.905 176.870 0.002 0.000 1.073 180 L CA 1.541 56.365 54.840 -0.025 0.000 0.745 180 L CB -0.291 41.696 42.059 -0.120 0.000 0.894 180 L HN 0.118 nan 8.230 nan 0.000 0.432 181 I N -1.169 119.424 120.570 0.038 0.000 2.163 181 I HA -0.351 3.819 4.170 0.000 0.000 0.243 181 I C 2.408 178.607 176.117 0.138 0.000 1.085 181 I CA 1.898 63.227 61.300 0.047 0.000 1.347 181 I CB -0.452 37.578 38.000 0.050 0.000 1.044 181 I HN 0.346 nan 8.210 nan 0.000 0.408 182 F N 1.689 121.698 119.950 0.099 0.000 2.134 182 F HA -0.244 4.283 4.527 0.000 0.000 0.299 182 F C 2.469 178.373 175.800 0.173 0.000 1.097 182 F CA 1.545 59.643 58.000 0.164 0.000 1.264 182 F CB -0.206 38.949 39.000 0.258 0.000 1.001 182 F HN -0.000 nan 8.300 nan 0.000 0.479 183 A N 0.101 123.027 122.820 0.176 0.000 1.902 183 A HA -0.207 4.113 4.320 0.000 0.000 0.217 183 A C 2.258 179.740 177.584 -0.170 0.000 1.181 183 A CA 2.445 54.468 52.037 -0.022 0.000 0.623 183 A CB -1.643 17.313 19.000 -0.072 0.000 0.818 183 A HN 0.555 nan 8.150 nan 0.000 0.443 184 T N -1.754 112.738 114.554 -0.104 0.000 2.821 184 T HA -0.126 4.224 4.350 0.000 0.000 0.267 184 T C 1.808 176.533 174.700 0.042 0.000 1.046 184 T CA 1.604 63.672 62.100 -0.053 0.000 1.139 184 T CB -0.305 68.556 68.868 -0.013 0.000 0.871 184 T HN 0.531 nan 8.240 nan 0.000 0.454 185 K N 0.180 120.617 120.400 0.062 0.000 2.062 185 K HA 0.112 4.433 4.320 0.000 0.000 0.205 185 K C 2.493 179.162 176.600 0.116 0.000 1.051 185 K CA 1.094 57.517 56.287 0.226 0.000 0.941 185 K CB -0.204 32.437 32.500 0.236 0.000 0.719 185 K HN 0.244 nan 8.250 nan 0.000 0.440 186 M N 0.487 119.970 119.600 -0.195 0.000 2.175 186 M HA -0.066 4.414 4.480 0.000 0.000 0.264 186 M C 2.409 178.533 176.300 -0.293 0.000 1.063 186 M CA 1.311 56.392 55.300 -0.367 0.000 1.119 186 M CB -0.999 31.258 32.600 -0.573 0.000 1.377 186 M HN 0.146 nan 8.290 nan 0.000 0.415 187 A N -0.635 121.983 122.820 -0.336 0.000 1.933 187 A HA -0.210 4.110 4.320 0.000 0.000 0.218 187 A C 2.013 179.408 177.584 -0.315 0.000 1.175 187 A CA 1.442 53.140 52.037 -0.564 0.000 0.628 187 A CB -1.110 17.135 19.000 -1.259 0.000 0.814 187 A HN 0.669 nan 8.150 nan 0.000 0.444 188 W N 0.966 122.137 121.300 -0.214 0.000 2.355 188 W HA -0.129 4.531 4.660 0.000 0.000 0.309 188 W C 2.317 178.738 176.519 -0.164 0.000 1.206 188 W CA 1.543 58.836 57.345 -0.086 0.000 1.284 188 W CB -0.767 28.666 29.460 -0.045 0.000 1.145 188 W HN 0.365 nan 8.180 nan 0.000 0.502 189 R N 0.334 120.746 120.500 -0.147 0.000 2.139 189 R HA -0.187 4.153 4.340 0.000 0.000 0.243 189 R C 1.273 177.409 176.300 -0.273 0.000 1.145 189 R CA 1.808 57.649 56.100 -0.432 0.000 0.976 189 R CB -0.526 29.287 30.300 -0.812 0.000 0.866 189 R HN 0.072 nan 8.270 nan 0.000 0.449 190 N N 0.017 118.585 118.700 -0.219 0.000 2.322 190 N HA 0.066 4.806 4.740 0.000 0.000 0.194 190 N C -0.809 174.601 175.510 -0.167 0.000 1.126 190 N CA 0.428 53.383 53.050 -0.157 0.000 0.845 190 N CB 1.036 39.470 38.487 -0.088 0.000 0.976 190 N HN 0.161 nan 8.380 nan 0.000 0.475 191 A N 1.562 124.272 122.820 -0.184 0.000 2.376 191 A HA 0.365 4.685 4.320 0.000 0.000 0.298 191 A C -1.366 176.140 177.584 -0.130 0.000 1.271 191 A CA -1.110 50.773 52.037 -0.255 0.000 0.926 191 A CB 0.641 19.553 19.000 -0.147 0.000 1.141 191 A HN -0.033 nan 8.150 nan 0.000 0.539 192 P HA -0.093 nan 4.420 nan 0.000 0.220 192 P C 0.971 178.221 177.300 -0.083 0.000 1.148 192 P CA 1.072 64.130 63.100 -0.070 0.000 0.803 192 P CB 0.182 31.859 31.700 -0.039 0.000 0.782 193 R N -1.869 118.537 120.500 -0.157 0.000 2.334 193 R HA 0.172 4.512 4.340 0.000 0.000 0.220 193 R C 0.102 176.410 176.300 0.013 0.000 0.917 193 R CA -0.156 55.880 56.100 -0.107 0.000 1.073 193 R CB -0.431 29.577 30.300 -0.487 0.000 1.056 193 R HN 0.177 nan 8.270 nan 0.000 0.506 194 C N 0.711 119.990 119.300 -0.034 0.000 2.255 194 C HA 0.334 4.794 4.460 0.000 0.000 0.326 194 C C 1.693 176.649 174.990 -0.057 0.000 1.258 194 C CA -0.859 58.170 59.018 0.019 0.000 1.676 194 C CB -0.474 27.333 27.740 0.112 0.000 2.314 194 C HN 0.583 nan 8.230 nan 0.000 0.509 195 I N 4.248 124.766 120.570 -0.086 0.000 3.251 195 I HA 0.176 4.346 4.170 0.000 0.000 0.277 195 I C 1.769 177.951 176.117 0.109 0.000 1.268 195 I CA 1.097 62.301 61.300 -0.160 0.000 1.449 195 I CB 0.098 38.018 38.000 -0.134 0.000 1.083 195 I HN 0.915 nan 8.210 nan 0.000 0.464 196 G N 0.104 108.976 108.800 0.119 0.000 3.371 196 G HA2 0.058 4.018 3.960 0.000 0.000 0.248 196 G HA3 0.058 4.018 3.960 0.000 0.000 0.248 196 G C 1.200 176.142 174.900 0.071 0.000 1.161 196 G CA -0.383 44.791 45.100 0.125 0.000 0.796 196 G HN 0.256 nan 8.290 nan 0.000 0.539 197 R N -0.165 120.312 120.500 -0.039 0.000 2.377 197 R HA 0.097 4.437 4.340 0.000 0.000 0.207 197 R C 1.918 177.706 176.300 -0.853 0.000 1.075 197 R CA 0.178 55.947 56.100 -0.551 0.000 1.035 197 R CB -0.159 29.846 30.300 -0.492 0.000 0.857 197 R HN 0.448 nan 8.270 nan 0.000 0.475 198 I N 0.714 120.990 120.570 -0.490 0.000 2.756 198 I HA -0.216 3.954 4.170 0.000 0.000 0.262 198 I C 1.330 177.330 176.117 -0.196 0.000 1.225 198 I CA 1.150 62.304 61.300 -0.242 0.000 1.472 198 I CB 0.186 38.190 38.000 0.006 0.000 1.094 198 I HN 0.180 nan 8.210 nan 0.000 0.454 199 Q N 0.535 120.152 119.800 -0.306 0.000 2.360 199 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 199 Q C 1.572 177.083 176.000 -0.815 0.000 0.915 199 Q CA 0.230 55.842 55.803 -0.318 0.000 0.943 199 Q CB -0.149 28.570 28.738 -0.032 0.000 1.064 199 Q HN 0.771 nan 8.270 nan 0.000 0.511 200 W N 1.226 121.708 121.300 -1.363 0.000 2.296 200 W HA -0.230 4.430 4.660 0.000 0.000 0.296 200 W C 1.080 177.234 176.519 -0.608 0.000 1.220 200 W CA 1.588 57.963 57.345 -1.616 0.000 1.223 200 W CB -1.202 27.591 29.460 -1.111 0.000 1.139 200 W HN 0.157 nan 8.180 nan 0.000 0.534 201 S N -0.000 114.943 115.700 -1.261 0.000 2.575 201 S HA 0.021 4.491 4.470 0.000 0.000 0.215 201 S C 0.387 174.745 174.600 -0.402 0.000 0.966 201 S CA 0.077 57.674 58.200 -1.005 0.000 0.911 201 S CB -0.542 61.857 63.200 -1.335 0.000 0.780 201 S HN 0.176 nan 8.310 nan 0.000 0.514 202 N N 1.322 119.888 118.700 -0.223 0.000 2.699 202 N HA 0.539 5.279 4.740 0.000 0.000 0.232 202 N C -1.454 174.151 175.510 0.158 0.000 1.027 202 N CA -0.540 52.498 53.050 -0.020 0.000 0.920 202 N CB 0.677 39.177 38.487 0.020 0.000 1.148 202 N HN 0.385 nan 8.380 nan 0.000 0.509 203 L N 1.981 123.260 121.223 0.093 0.000 2.543 203 L HA 0.448 4.789 4.340 0.000 0.000 0.265 203 L C -1.116 175.714 176.870 -0.067 0.000 0.945 203 L CA -0.610 54.276 54.840 0.077 0.000 0.869 203 L CB 1.914 44.073 42.059 0.166 0.000 1.294 203 L HN 0.358 nan 8.230 nan 0.000 0.405 204 Q N 3.102 122.811 119.800 -0.153 0.000 2.279 204 Q HA 0.613 4.953 4.340 0.000 0.000 0.256 204 Q C -1.670 173.986 176.000 -0.573 0.000 0.937 204 Q CA -0.150 55.404 55.803 -0.416 0.000 0.933 204 Q CB 1.486 29.850 28.738 -0.624 0.000 1.189 204 Q HN 0.518 nan 8.270 nan 0.000 0.417 205 V N 5.848 125.418 119.914 -0.572 0.000 2.384 205 V HA 0.432 4.552 4.120 0.000 0.000 0.287 205 V C -0.844 174.892 176.094 -0.596 0.000 1.020 205 V CA -0.592 61.421 62.300 -0.479 0.000 0.850 205 V CB 0.720 32.387 31.823 -0.259 0.000 0.987 205 V HN 0.669 nan 8.190 nan 0.000 0.436 206 F N 2.684 122.466 119.950 -0.281 0.000 2.361 206 F HA 0.371 4.898 4.527 0.000 0.000 0.364 206 F C 0.493 176.114 175.800 -0.298 0.000 1.120 206 F CA -1.056 56.778 58.000 -0.276 0.000 1.102 206 F CB 1.054 39.883 39.000 -0.285 0.000 1.183 206 F HN 0.439 nan 8.300 nan 0.000 0.476 207 D N 3.428 123.780 120.400 -0.079 0.000 2.374 207 D HA 0.358 4.998 4.640 0.000 0.000 0.240 207 D C 0.129 176.291 176.300 -0.231 0.000 1.229 207 D CA 0.112 54.017 54.000 -0.160 0.000 0.895 207 D CB 0.911 41.649 40.800 -0.103 0.000 1.046 207 D HN 0.589 nan 8.370 nan 0.000 0.498 208 A N 4.548 127.111 122.820 -0.428 0.000 2.713 208 A HA 0.175 4.495 4.320 0.000 0.000 0.296 208 A C 1.543 178.910 177.584 -0.362 0.000 1.255 208 A CA -0.432 51.224 52.037 -0.634 0.000 0.955 208 A CB 0.002 18.212 19.000 -1.316 0.000 1.149 208 A HN 0.523 nan 8.150 nan 0.000 0.538 209 R N 0.391 120.766 120.500 -0.208 0.000 2.316 209 R HA -0.092 4.248 4.340 0.000 0.000 0.202 209 R C 0.742 176.988 176.300 -0.090 0.000 1.029 209 R CA 1.283 57.315 56.100 -0.113 0.000 1.018 209 R CB -0.052 30.232 30.300 -0.027 0.000 0.888 209 R HN 0.752 nan 8.270 nan 0.000 0.471 210 N N -1.048 117.612 118.700 -0.068 0.000 2.280 210 N HA -0.019 4.721 4.740 0.000 0.000 0.192 210 N C 0.227 175.762 175.510 0.041 0.000 1.109 210 N CA -0.243 52.806 53.050 -0.002 0.000 0.855 210 N CB -0.040 38.463 38.487 0.027 0.000 0.974 210 N HN -0.015 nan 8.380 nan 0.000 0.482 211 C N 1.054 120.361 119.300 0.012 0.000 2.634 211 C HA 0.307 4.767 4.460 0.000 0.000 0.417 211 C C 1.735 176.861 174.990 0.227 0.000 1.334 211 C CA 0.564 59.670 59.018 0.147 0.000 1.829 211 C CB -0.240 27.622 27.740 0.203 0.000 2.665 211 C HN 0.699 nan 8.230 nan 0.000 0.614 212 S N 1.667 117.575 115.700 0.347 0.000 2.691 212 S HA 0.196 4.666 4.470 0.000 0.000 0.258 212 S C 0.298 175.090 174.600 0.320 0.000 1.078 212 S CA 0.428 58.867 58.200 0.399 0.000 1.000 212 S CB -0.115 63.224 63.200 0.230 0.000 0.942 212 S HN 0.993 nan 8.310 nan 0.000 0.521 213 T N -1.324 113.385 114.554 0.258 0.000 2.942 213 T HA 0.848 5.198 4.350 0.000 0.000 0.289 213 T C 1.225 176.009 174.700 0.139 0.000 1.044 213 T CA -0.199 61.993 62.100 0.154 0.000 1.023 213 T CB 1.496 70.442 68.868 0.129 0.000 1.123 213 T HN 0.240 nan 8.240 nan 0.000 0.512 214 A N 0.486 123.356 122.820 0.083 0.000 1.898 214 A HA -0.056 4.264 4.320 0.000 0.000 0.216 214 A C 2.318 179.867 177.584 -0.058 0.000 1.181 214 A CA 2.032 54.100 52.037 0.052 0.000 0.620 214 A CB -1.240 17.876 19.000 0.193 0.000 0.819 214 A HN 0.908 nan 8.150 nan 0.000 0.442 215 Q N 0.414 120.264 119.800 0.085 0.000 2.096 215 Q HA -0.208 4.132 4.340 0.000 0.000 0.204 215 Q C 1.728 177.747 176.000 0.032 0.000 0.982 215 Q CA 2.406 58.236 55.803 0.045 0.000 0.850 215 Q CB -0.430 28.420 28.738 0.188 0.000 0.901 215 Q HN 0.756 nan 8.270 nan 0.000 0.422 216 E N -0.574 119.681 120.200 0.092 0.000 2.150 216 E HA -0.149 4.201 4.350 0.000 0.000 0.193 216 E C 2.046 178.780 176.600 0.223 0.000 0.985 216 E CA 1.149 57.625 56.400 0.127 0.000 0.814 216 E CB -0.144 29.679 29.700 0.205 0.000 0.752 216 E HN 0.458 nan 8.360 nan 0.000 0.466 217 M N 0.058 119.778 119.600 0.199 0.000 2.086 217 M HA -0.164 4.316 4.480 0.000 0.000 0.261 217 M C 2.209 178.592 176.300 0.138 0.000 1.067 217 M CA 1.331 56.754 55.300 0.205 0.000 1.116 217 M CB -0.277 32.251 32.600 -0.121 0.000 1.348 217 M HN 0.127 nan 8.290 nan 0.000 0.407 218 F N 1.402 121.175 119.950 -0.296 0.000 2.120 218 F HA -0.291 4.236 4.527 0.000 0.000 0.300 218 F C 2.271 177.971 175.800 -0.167 0.000 1.095 218 F CA 1.902 59.668 58.000 -0.391 0.000 1.249 218 F CB -0.553 37.895 39.000 -0.920 0.000 0.995 218 F HN 0.192 nan 8.300 nan 0.000 0.480 219 Q N -1.037 118.602 119.800 -0.267 0.000 2.084 219 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 219 Q C 2.231 178.045 176.000 -0.310 0.000 0.978 219 Q CA 1.658 57.244 55.803 -0.362 0.000 0.844 219 Q CB -0.523 28.065 28.738 -0.250 0.000 0.898 219 Q HN 0.539 nan 8.270 nan 0.000 0.426 220 H N 0.323 119.335 119.070 -0.096 0.000 2.353 220 H HA -0.073 4.483 4.556 0.000 0.000 0.300 220 H C 2.144 177.402 175.328 -0.117 0.000 1.090 220 H CA 1.224 57.211 56.048 -0.102 0.000 1.327 220 H CB -0.036 29.737 29.762 0.018 0.000 1.383 220 H HN 0.260 nan 8.280 nan 0.000 0.508 221 I N -0.169 120.452 120.570 0.086 0.000 2.315 221 I HA -0.267 3.903 4.170 0.000 0.000 0.248 221 I C 2.633 178.676 176.117 -0.123 0.000 1.117 221 I CA 0.650 61.957 61.300 0.011 0.000 1.404 221 I CB -0.231 37.788 38.000 0.032 0.000 1.071 221 I HN 0.210 nan 8.210 nan 0.000 0.419 222 C N 0.354 119.479 119.300 -0.291 0.000 2.440 222 C HA -0.142 4.318 4.460 0.000 0.000 0.278 222 C C 2.987 177.866 174.990 -0.184 0.000 1.295 222 C CA 0.868 59.705 59.018 -0.303 0.000 1.738 222 C CB -1.133 26.301 27.740 -0.509 0.000 1.987 222 C HN 0.476 nan 8.230 nan 0.000 0.492 223 R N 0.061 120.430 120.500 -0.218 0.000 2.081 223 R HA -0.181 4.159 4.340 0.000 0.000 0.235 223 R C 2.169 178.342 176.300 -0.212 0.000 1.131 223 R CA 1.992 57.948 56.100 -0.240 0.000 0.960 223 R CB -0.659 29.421 30.300 -0.367 0.000 0.856 223 R HN 0.778 nan 8.270 nan 0.000 0.436 224 H N -0.080 118.793 119.070 -0.329 0.000 2.293 224 H HA -0.081 4.475 4.556 0.000 0.000 0.300 224 H C 2.103 177.456 175.328 0.042 0.000 1.082 224 H CA 2.122 58.073 56.048 -0.162 0.000 1.308 224 H CB -0.025 29.688 29.762 -0.082 0.000 1.375 224 H HN 0.196 nan 8.280 nan 0.000 0.495 225 I N 0.145 120.826 120.570 0.186 0.000 2.163 225 I HA -0.270 3.900 4.170 0.000 0.000 0.243 225 I C 2.460 178.648 176.117 0.119 0.000 1.085 225 I CA 0.916 62.286 61.300 0.117 0.000 1.347 225 I CB -0.220 37.779 38.000 -0.001 0.000 1.044 225 I HN 0.336 nan 8.210 nan 0.000 0.408 226 L N 0.273 121.539 121.223 0.072 0.000 2.017 226 L HA -0.275 4.065 4.340 0.000 0.000 0.208 226 L C 2.505 179.435 176.870 0.100 0.000 1.073 226 L CA 1.931 56.806 54.840 0.059 0.000 0.745 226 L CB -1.019 41.052 42.059 0.020 0.000 0.894 226 L HN 0.271 nan 8.230 nan 0.000 0.432 227 Y N 0.165 120.500 120.300 0.057 0.000 2.145 227 Y HA -0.227 4.323 4.550 0.000 0.000 0.286 227 Y C 2.361 178.342 175.900 0.135 0.000 1.145 227 Y CA 2.161 60.331 58.100 0.117 0.000 1.148 227 Y CB -0.609 37.993 38.460 0.237 0.000 0.981 227 Y HN 0.242 nan 8.280 nan 0.000 0.507 228 A N -0.623 122.330 122.820 0.221 0.000 1.902 228 A HA -0.164 4.156 4.320 0.000 0.000 0.217 228 A C 2.210 179.829 177.584 0.057 0.000 1.181 228 A CA 2.224 54.351 52.037 0.151 0.000 0.623 228 A CB -1.340 17.865 19.000 0.341 0.000 0.818 228 A HN 0.528 nan 8.150 nan 0.000 0.443 229 T N -0.080 114.517 114.554 0.073 0.000 2.746 229 T HA -0.129 4.221 4.350 0.000 0.000 0.267 229 T C 1.109 175.814 174.700 0.008 0.000 1.039 229 T CA 1.272 63.409 62.100 0.062 0.000 1.142 229 T CB -0.464 68.441 68.868 0.061 0.000 0.866 229 T HN 0.645 nan 8.240 nan 0.000 0.444 230 N N 1.584 120.258 118.700 -0.044 0.000 2.702 230 N HA -0.265 4.475 4.740 0.000 0.000 0.255 230 N C 0.060 175.548 175.510 -0.037 0.000 0.983 230 N CA 0.968 53.972 53.050 -0.076 0.000 0.768 230 N CB -1.859 36.536 38.487 -0.153 0.000 0.918 230 N HN 0.466 nan 8.380 nan 0.000 0.540 231 N N -1.431 117.259 118.700 -0.015 0.000 2.714 231 N HA -0.221 4.519 4.740 0.000 0.000 0.250 231 N C 0.981 176.484 175.510 -0.013 0.000 1.117 231 N CA 2.564 55.607 53.050 -0.012 0.000 0.719 231 N CB -1.203 37.274 38.487 -0.017 0.000 1.081 231 N HN 1.258 nan 8.380 nan 0.000 0.557 232 G N -1.105 107.696 108.800 0.001 0.000 2.284 232 G HA2 -0.306 3.654 3.960 0.000 0.000 0.216 232 G HA3 -0.306 3.654 3.960 0.000 0.000 0.216 232 G C 0.030 174.936 174.900 0.011 0.000 1.009 232 G CA 0.134 45.239 45.100 0.009 0.000 0.625 232 G HN 0.656 nan 8.290 nan 0.000 0.501 233 N N 2.287 120.978 118.700 -0.015 0.000 3.124 233 N HA 0.308 5.048 4.740 0.000 0.000 0.284 233 N C 0.850 176.353 175.510 -0.012 0.000 1.209 233 N CA -0.512 52.516 53.050 -0.036 0.000 1.149 233 N CB -0.482 37.974 38.487 -0.052 0.000 1.434 233 N HN 0.343 nan 8.380 nan 0.000 0.529 234 I N 1.870 122.470 120.570 0.049 0.000 2.906 234 I HA -0.128 4.042 4.170 0.000 0.000 0.302 234 I C 0.852 177.100 176.117 0.219 0.000 1.220 234 I CA 0.822 62.216 61.300 0.156 0.000 1.441 234 I CB -0.346 37.836 38.000 0.302 0.000 1.336 234 I HN 0.273 nan 8.210 nan 0.000 0.565 235 R N 3.995 124.587 120.500 0.154 0.000 2.534 235 R HA 0.409 4.749 4.340 0.000 0.000 0.301 235 R C -0.382 176.050 176.300 0.220 0.000 0.961 235 R CA -0.680 55.520 56.100 0.167 0.000 0.871 235 R CB 1.919 32.152 30.300 -0.111 0.000 1.170 235 R HN 0.542 nan 8.270 nan 0.000 0.446 236 S N 1.420 117.241 115.700 0.201 0.000 2.549 236 S HA 0.527 4.997 4.470 0.000 0.000 0.279 236 S C -0.336 174.305 174.600 0.069 0.000 1.321 236 S CA -0.304 57.923 58.200 0.046 0.000 1.054 236 S CB 1.308 64.444 63.200 -0.107 0.000 0.899 236 S HN 0.702 nan 8.310 nan 0.000 0.497 237 A N 2.763 125.592 122.820 0.016 0.000 2.609 237 A HA 0.840 5.160 4.320 0.000 0.000 0.291 237 A C -1.354 176.185 177.584 -0.075 0.000 1.096 237 A CA -0.664 51.300 52.037 -0.123 0.000 0.684 237 A CB 1.185 20.069 19.000 -0.193 0.000 1.282 237 A HN 0.795 nan 8.150 nan 0.000 0.412 238 I N 0.314 120.802 120.570 -0.136 0.000 2.656 238 I HA 0.603 4.773 4.170 0.000 0.000 0.292 238 I C -1.183 174.961 176.117 0.044 0.000 1.144 238 I CA -0.132 61.222 61.300 0.089 0.000 1.038 238 I CB 2.411 40.427 38.000 0.027 0.000 1.244 238 I HN 0.600 nan 8.210 nan 0.000 0.420 239 T N 6.333 120.988 114.554 0.168 0.000 2.770 239 T HA 0.419 4.769 4.350 0.000 0.000 0.283 239 T C -0.641 173.900 174.700 -0.265 0.000 0.988 239 T CA -0.340 61.736 62.100 -0.040 0.000 0.957 239 T CB 1.432 70.282 68.868 -0.031 0.000 0.930 239 T HN 0.257 nan 8.240 nan 0.000 0.443 240 V N 5.313 125.011 119.914 -0.361 0.000 2.364 240 V HA 0.436 4.556 4.120 0.000 0.000 0.272 240 V C -0.230 175.605 176.094 -0.432 0.000 1.036 240 V CA -0.666 61.426 62.300 -0.347 0.000 0.880 240 V CB -0.146 31.431 31.823 -0.410 0.000 0.991 240 V HN 0.749 nan 8.190 nan 0.000 0.460 241 F N 5.226 125.132 119.950 -0.074 0.000 2.362 241 F HA 0.460 4.987 4.527 0.000 0.000 0.311 241 F C -1.760 173.969 175.800 -0.119 0.000 1.161 241 F CA -2.381 55.508 58.000 -0.185 0.000 1.085 241 F CB 0.466 39.365 39.000 -0.169 0.000 1.311 241 F HN 0.301 nan 8.300 nan 0.000 0.524 242 P HA -0.042 nan 4.420 nan 0.000 0.262 242 P C -1.156 176.144 177.300 0.001 0.000 1.182 242 P CA 0.012 63.017 63.100 -0.159 0.000 0.761 242 P CB 0.193 31.620 31.700 -0.456 0.000 0.795 243 Q N 3.203 122.932 119.800 -0.118 0.000 2.454 243 Q HA 0.103 4.443 4.340 0.000 0.000 0.247 243 Q C 0.167 176.031 176.000 -0.225 0.000 1.028 243 Q CA -0.549 54.930 55.803 -0.541 0.000 0.910 243 Q CB 0.710 28.830 28.738 -1.030 0.000 1.276 243 Q HN 0.334 nan 8.270 nan 0.000 0.489 244 R N 1.049 121.419 120.500 -0.216 0.000 2.537 244 R HA 0.007 4.347 4.340 0.000 0.000 0.280 244 R C 0.200 176.459 176.300 -0.069 0.000 1.058 244 R CA 0.716 56.778 56.100 -0.063 0.000 1.057 244 R CB 0.568 30.835 30.300 -0.056 0.000 0.973 244 R HN 0.950 nan 8.270 nan 0.000 0.438 245 S N 2.511 118.215 115.700 0.007 0.000 2.460 245 S HA -0.048 4.422 4.470 0.000 0.000 0.185 245 S C 0.815 175.427 174.600 0.020 0.000 0.908 245 S CA 0.385 58.584 58.200 -0.002 0.000 0.894 245 S CB -0.097 63.102 63.200 -0.002 0.000 0.855 245 S HN 0.828 nan 8.310 nan 0.000 0.574 246 D N -0.209 120.234 120.400 0.072 0.000 2.398 246 D HA 0.337 4.977 4.640 0.000 0.000 0.210 246 D C 1.348 177.689 176.300 0.068 0.000 1.094 246 D CA 0.633 54.676 54.000 0.072 0.000 0.839 246 D CB -0.058 40.802 40.800 0.102 0.000 0.963 246 D HN 0.829 nan 8.370 nan 0.000 0.506 247 G N 0.879 109.725 108.800 0.076 0.000 2.175 247 G HA2 -0.337 3.623 3.960 0.000 0.000 0.244 247 G HA3 -0.337 3.623 3.960 0.000 0.000 0.244 247 G C 0.992 175.908 174.900 0.027 0.000 0.982 247 G CA 0.369 45.493 45.100 0.041 0.000 0.641 247 G HN 0.439 nan 8.290 nan 0.000 0.527 248 K N -0.471 119.958 120.400 0.048 0.000 2.353 248 K HA 0.260 4.580 4.320 0.000 0.000 0.195 248 K C 0.522 176.929 176.600 -0.322 0.000 1.031 248 K CA 0.358 56.576 56.287 -0.116 0.000 1.079 248 K CB 0.333 32.744 32.500 -0.148 0.000 0.857 248 K HN 0.521 nan 8.250 nan 0.000 0.535 249 H N 0.417 119.496 119.070 0.016 0.000 2.587 249 H HA 0.191 4.747 4.556 0.000 0.000 0.245 249 H C -1.086 174.271 175.328 0.049 0.000 1.238 249 H CA -0.795 55.263 56.048 0.016 0.000 0.963 249 H CB 0.155 29.945 29.762 0.047 0.000 1.904 249 H HN -0.023 nan 8.280 nan 0.000 0.584 250 D N 0.463 120.923 120.400 0.100 0.000 2.382 250 D HA 0.034 4.674 4.640 0.000 0.000 0.245 250 D C -0.048 176.308 176.300 0.092 0.000 1.120 250 D CA 0.293 54.377 54.000 0.140 0.000 0.890 250 D CB 0.614 41.467 40.800 0.087 0.000 1.201 250 D HN 0.133 nan 8.370 nan 0.000 0.433 251 F N 2.327 122.310 119.950 0.056 0.000 2.404 251 F HA 0.387 4.914 4.527 0.000 0.000 0.345 251 F C 0.907 176.721 175.800 0.022 0.000 1.110 251 F CA -0.240 57.766 58.000 0.009 0.000 1.130 251 F CB 0.862 39.858 39.000 -0.007 0.000 1.129 251 F HN -0.134 nan 8.300 nan 0.000 0.500 252 R N 3.614 124.191 120.500 0.129 0.000 2.584 252 R HA 0.466 4.806 4.340 0.000 0.000 0.276 252 R C -1.866 174.558 176.300 0.207 0.000 1.046 252 R CA -1.074 55.123 56.100 0.163 0.000 0.906 252 R CB 2.106 32.508 30.300 0.169 0.000 1.215 252 R HN 0.473 nan 8.270 nan 0.000 0.449 253 L N 1.980 123.312 121.223 0.181 0.000 2.272 253 L HA 0.356 4.696 4.340 0.000 0.000 0.289 253 L C 0.731 177.806 176.870 0.342 0.000 1.032 253 L CA -0.133 54.829 54.840 0.203 0.000 0.810 253 L CB 0.761 42.874 42.059 0.090 0.000 1.205 253 L HN 0.583 nan 8.230 nan 0.000 0.422 254 W N 0.708 122.080 121.300 0.119 0.000 2.519 254 W HA 0.001 4.661 4.660 0.000 0.000 0.266 254 W C 0.758 177.436 176.519 0.265 0.000 1.253 254 W CA -0.301 57.213 57.345 0.281 0.000 1.274 254 W CB -0.852 28.858 29.460 0.417 0.000 1.114 254 W HN 0.491 nan 8.180 nan 0.000 0.596 255 N N -0.417 118.444 118.700 0.268 0.000 2.453 255 N HA 0.014 4.754 4.740 0.000 0.000 0.253 255 N C 1.080 176.487 175.510 -0.172 0.000 1.252 255 N CA 0.496 53.417 53.050 -0.214 0.000 0.917 255 N CB 0.677 39.076 38.487 -0.147 0.000 1.117 255 N HN -0.283 nan 8.380 nan 0.000 0.442 256 S N 0.066 115.601 115.700 -0.276 0.000 2.425 256 S HA 0.016 4.486 4.470 0.000 0.000 0.225 256 S C 0.111 174.620 174.600 -0.151 0.000 1.024 256 S CA 0.887 58.998 58.200 -0.147 0.000 0.951 256 S CB 0.064 63.198 63.200 -0.111 0.000 0.796 256 S HN 0.553 nan 8.310 nan 0.000 0.498 257 Q N -0.849 118.840 119.800 -0.186 0.000 2.451 257 Q HA 0.511 4.851 4.340 0.000 0.000 0.281 257 Q C 0.505 176.377 176.000 -0.213 0.000 1.099 257 Q CA -0.409 55.283 55.803 -0.185 0.000 0.806 257 Q CB 1.341 30.006 28.738 -0.122 0.000 1.419 257 Q HN -0.006 nan 8.270 nan 0.000 0.427 258 L N 0.279 121.368 121.223 -0.224 0.000 2.056 258 L HA 0.061 4.401 4.340 0.000 0.000 0.207 258 L C 0.296 177.012 176.870 -0.258 0.000 1.078 258 L CA 1.026 55.740 54.840 -0.210 0.000 0.749 258 L CB 0.086 42.011 42.059 -0.224 0.000 0.901 258 L HN 0.517 nan 8.230 nan 0.000 0.433 259 I N -0.088 120.251 120.570 -0.384 0.000 2.406 259 I HA 0.461 4.631 4.170 0.000 0.000 0.290 259 I C -0.355 175.163 176.117 -0.998 0.000 0.999 259 I CA -0.343 60.549 61.300 -0.680 0.000 1.124 259 I CB 1.494 38.981 38.000 -0.854 0.000 1.289 259 I HN 0.064 nan 8.210 nan 0.000 0.441 260 R N 4.564 124.567 120.500 -0.830 0.000 2.634 260 R HA 0.504 4.844 4.340 0.000 0.000 0.263 260 R C -2.016 174.063 176.300 -0.369 0.000 1.060 260 R CA -0.654 55.106 56.100 -0.567 0.000 0.898 260 R CB 1.187 31.344 30.300 -0.239 0.000 1.253 260 R HN 0.299 nan 8.270 nan 0.000 0.461 261 Y N 1.238 121.544 120.300 0.011 0.000 2.320 261 Y HA 0.683 5.233 4.550 0.000 0.000 0.324 261 Y C 0.879 176.802 175.900 0.038 0.000 1.190 261 Y CA -0.231 57.916 58.100 0.078 0.000 1.215 261 Y CB 1.496 40.101 38.460 0.241 0.000 1.221 261 Y HN 0.755 nan 8.280 nan 0.000 0.486 262 A N 1.085 124.004 122.820 0.165 0.000 2.313 262 A HA 0.684 5.004 4.320 0.000 0.000 0.261 262 A C 0.381 177.813 177.584 -0.254 0.000 1.090 262 A CA 0.203 52.167 52.037 -0.121 0.000 0.807 262 A CB -0.135 18.730 19.000 -0.225 0.000 1.055 262 A HN 0.905 nan 8.150 nan 0.000 0.492 263 G N -0.625 107.917 108.800 -0.429 0.000 2.643 263 G HA2 0.590 4.550 3.960 0.000 0.000 0.305 263 G HA3 0.590 4.550 3.960 0.000 0.000 0.305 263 G C -1.422 173.221 174.900 -0.429 0.000 1.387 263 G CA -0.283 44.624 45.100 -0.322 0.000 0.982 263 G HN 0.533 nan 8.290 nan 0.000 0.501 264 Y N 0.146 120.474 120.300 0.047 0.000 2.462 264 Y HA 0.488 5.038 4.550 0.000 0.000 0.346 264 Y C 0.168 176.114 175.900 0.077 0.000 0.976 264 Y CA -1.118 57.028 58.100 0.077 0.000 1.044 264 Y CB 2.770 41.308 38.460 0.130 0.000 1.230 264 Y HN 0.478 nan 8.280 nan 0.000 0.455 265 Q N 3.381 123.326 119.800 0.242 0.000 2.406 265 Q HA 0.324 4.664 4.340 0.000 0.000 0.242 265 Q C -0.949 175.145 176.000 0.157 0.000 1.036 265 Q CA -0.320 55.572 55.803 0.148 0.000 0.904 265 Q CB 0.385 29.184 28.738 0.102 0.000 1.244 265 Q HN 0.509 nan 8.270 nan 0.000 0.478 266 M N 4.940 124.612 119.600 0.120 0.000 2.202 266 M HA 0.200 4.680 4.480 0.000 0.000 0.316 266 M C -1.472 174.838 176.300 0.018 0.000 1.138 266 M CA -2.330 53.008 55.300 0.064 0.000 1.151 266 M CB -0.413 32.209 32.600 0.037 0.000 1.422 266 M HN 0.413 nan 8.290 nan 0.000 0.471 267 P HA -0.157 nan 4.420 nan 0.000 0.216 267 P C 0.343 177.630 177.300 -0.022 0.000 1.150 267 P CA 1.320 64.400 63.100 -0.034 0.000 0.837 267 P CB -0.050 31.608 31.700 -0.070 0.000 0.786 268 D N -1.908 118.479 120.400 -0.022 0.000 2.352 268 D HA 0.078 4.718 4.640 0.000 0.000 0.232 268 D C 1.401 177.699 176.300 -0.004 0.000 1.055 268 D CA 0.676 54.667 54.000 -0.015 0.000 0.891 268 D CB -1.057 39.733 40.800 -0.018 0.000 0.897 268 D HN 0.243 nan 8.370 nan 0.000 0.529 269 G N -0.191 108.612 108.800 0.004 0.000 2.225 269 G HA2 -0.297 3.663 3.960 0.000 0.000 0.254 269 G HA3 -0.297 3.663 3.960 0.000 0.000 0.254 269 G C 0.574 175.485 174.900 0.018 0.000 0.988 269 G CA 0.593 45.700 45.100 0.012 0.000 0.625 269 G HN 0.830 nan 8.290 nan 0.000 0.527 270 T N -0.424 114.140 114.554 0.017 0.000 2.882 270 T HA 0.689 5.039 4.350 0.000 0.000 0.287 270 T C 0.384 175.104 174.700 0.034 0.000 1.014 270 T CA -0.671 61.440 62.100 0.019 0.000 1.049 270 T CB 1.831 70.706 68.868 0.012 0.000 1.001 270 T HN 0.341 nan 8.240 nan 0.000 0.525 271 I N 1.581 122.167 120.570 0.026 0.000 2.359 271 I HA 0.460 4.630 4.170 0.000 0.000 0.294 271 I C 0.478 176.609 176.117 0.023 0.000 0.987 271 I CA -0.621 60.698 61.300 0.032 0.000 1.225 271 I CB 1.455 39.456 38.000 0.003 0.000 1.366 271 I HN 0.783 nan 8.210 nan 0.000 0.466 272 R N 3.117 123.662 120.500 0.074 0.000 2.494 272 R HA 0.633 4.973 4.340 0.000 0.000 0.305 272 R C 0.235 176.562 176.300 0.045 0.000 0.959 272 R CA 0.199 56.344 56.100 0.074 0.000 0.864 272 R CB 1.665 32.063 30.300 0.164 0.000 1.159 272 R HN 0.918 nan 8.270 nan 0.000 0.446 273 G N 2.645 111.384 108.800 -0.103 0.000 2.484 273 G HA2 -0.258 3.702 3.960 0.000 0.000 0.225 273 G HA3 -0.258 3.702 3.960 0.000 0.000 0.225 273 G C -1.158 173.449 174.900 -0.489 0.000 1.250 273 G CA -0.068 44.919 45.100 -0.187 0.000 0.926 273 G HN 0.629 nan 8.290 nan 0.000 0.581 274 D N 1.780 122.028 120.400 -0.252 0.000 2.393 274 D HA 0.574 5.214 4.640 0.000 0.000 0.232 274 D C 1.542 177.775 176.300 -0.112 0.000 1.192 274 D CA 0.796 54.669 54.000 -0.213 0.000 0.882 274 D CB 0.754 41.712 40.800 0.263 0.000 1.038 274 D HN 0.926 nan 8.370 nan 0.000 0.499 275 A N 3.779 126.512 122.820 -0.145 0.000 2.032 275 A HA -0.139 4.181 4.320 0.000 0.000 0.221 275 A C 1.996 179.580 177.584 -0.000 0.000 1.165 275 A CA 1.760 53.763 52.037 -0.057 0.000 0.645 275 A CB -0.218 18.754 19.000 -0.046 0.000 0.807 275 A HN 0.604 nan 8.150 nan 0.000 0.453 276 A N -0.601 122.240 122.820 0.035 0.000 2.168 276 A HA 0.096 4.416 4.320 0.000 0.000 0.215 276 A C 1.911 179.532 177.584 0.062 0.000 1.152 276 A CA 1.763 53.838 52.037 0.063 0.000 0.716 276 A CB -0.745 18.314 19.000 0.098 0.000 0.794 276 A HN 0.792 nan 8.150 nan 0.000 0.465 277 T N -3.246 111.337 114.554 0.050 0.000 3.174 277 T HA 0.384 4.734 4.350 0.000 0.000 0.269 277 T C 1.310 176.021 174.700 0.019 0.000 1.017 277 T CA -0.083 62.047 62.100 0.051 0.000 0.899 277 T CB -0.407 68.495 68.868 0.057 0.000 1.077 277 T HN 0.215 nan 8.240 nan 0.000 0.552 278 L N 0.728 121.950 121.223 -0.002 0.000 2.013 278 L HA -0.142 4.198 4.340 0.000 0.000 0.212 278 L C 2.791 179.650 176.870 -0.018 0.000 1.073 278 L CA 1.966 56.795 54.840 -0.019 0.000 0.753 278 L CB -0.421 41.639 42.059 0.001 0.000 0.890 278 L HN 0.388 nan 8.230 nan 0.000 0.432 279 E N -0.704 119.489 120.200 -0.010 0.000 2.047 279 E HA -0.244 4.106 4.350 0.000 0.000 0.191 279 E C 1.991 178.524 176.600 -0.111 0.000 0.987 279 E CA 1.346 57.712 56.400 -0.057 0.000 0.799 279 E CB -0.233 29.431 29.700 -0.060 0.000 0.752 279 E HN 0.330 nan 8.360 nan 0.000 0.449 280 F N 1.592 121.410 119.950 -0.220 0.000 2.171 280 F HA -0.186 4.341 4.527 0.000 0.000 0.300 280 F C 2.197 177.884 175.800 -0.188 0.000 1.090 280 F CA 1.421 59.267 58.000 -0.256 0.000 1.293 280 F CB -0.233 38.647 39.000 -0.200 0.000 1.013 280 F HN -0.093 nan 8.300 nan 0.000 0.486 281 T N -0.404 114.109 114.554 -0.068 0.000 2.746 281 T HA -0.256 4.094 4.350 0.000 0.000 0.267 281 T C 1.759 176.401 174.700 -0.096 0.000 1.039 281 T CA 1.606 63.629 62.100 -0.127 0.000 1.142 281 T CB -0.326 68.455 68.868 -0.145 0.000 0.866 281 T HN 0.228 nan 8.240 nan 0.000 0.444 282 Q N 0.732 120.480 119.800 -0.086 0.000 2.124 282 Q HA -0.049 4.291 4.340 0.000 0.000 0.202 282 Q C 2.096 178.024 176.000 -0.121 0.000 0.977 282 Q CA 1.122 56.893 55.803 -0.054 0.000 0.850 282 Q CB -0.705 28.004 28.738 -0.047 0.000 0.901 282 Q HN 0.427 nan 8.270 nan 0.000 0.429 283 L N -0.387 120.686 121.223 -0.249 0.000 2.017 283 L HA -0.167 4.173 4.340 0.000 0.000 0.208 283 L C 2.104 178.801 176.870 -0.289 0.000 1.073 283 L CA 1.859 56.520 54.840 -0.298 0.000 0.745 283 L CB -1.073 40.708 42.059 -0.463 0.000 0.894 283 L HN 0.386 nan 8.230 nan 0.000 0.432 284 C N -0.334 118.732 119.300 -0.390 0.000 2.429 284 C HA -0.144 4.316 4.460 0.000 0.000 0.277 284 C C 2.744 177.761 174.990 0.044 0.000 1.262 284 C CA 0.953 59.813 59.018 -0.263 0.000 1.733 284 C CB -0.967 26.511 27.740 -0.437 0.000 2.010 284 C HN 0.597 nan 8.230 nan 0.000 0.483 285 I N 1.110 121.756 120.570 0.126 0.000 2.226 285 I HA -0.190 3.980 4.170 0.000 0.000 0.245 285 I C 2.028 178.160 176.117 0.024 0.000 1.100 285 I CA 1.527 62.913 61.300 0.143 0.000 1.374 285 I CB -0.608 37.464 38.000 0.120 0.000 1.057 285 I HN 0.320 nan 8.210 nan 0.000 0.413 286 D N 0.880 121.259 120.400 -0.034 0.000 2.178 286 D HA -0.100 4.540 4.640 0.000 0.000 0.201 286 D C 2.007 178.256 176.300 -0.085 0.000 0.980 286 D CA 1.171 55.128 54.000 -0.072 0.000 0.842 286 D CB -0.126 40.609 40.800 -0.108 0.000 0.948 286 D HN 0.340 nan 8.370 nan 0.000 0.472 287 L N -0.855 120.319 121.223 -0.081 0.000 2.612 287 L HA 0.231 4.571 4.340 0.000 0.000 0.230 287 L C 1.518 178.351 176.870 -0.061 0.000 1.140 287 L CA 0.349 55.136 54.840 -0.088 0.000 0.896 287 L CB 0.079 42.068 42.059 -0.118 0.000 1.065 287 L HN 0.143 nan 8.230 nan 0.000 0.447 288 G N -1.264 107.521 108.800 -0.025 0.000 2.218 288 G HA2 -0.290 3.670 3.960 0.000 0.000 0.216 288 G HA3 -0.290 3.670 3.960 0.000 0.000 0.216 288 G C -0.092 174.824 174.900 0.028 0.000 0.994 288 G CA -0.399 44.687 45.100 -0.023 0.000 0.637 288 G HN 0.280 nan 8.290 nan 0.000 0.505 289 W N 3.825 125.054 121.300 -0.119 0.000 2.210 289 W HA 0.604 5.264 4.660 0.000 0.000 0.330 289 W C 0.120 176.597 176.519 -0.069 0.000 1.334 289 W CA -0.292 56.995 57.345 -0.097 0.000 1.227 289 W CB 0.678 30.079 29.460 -0.098 0.000 1.178 289 W HN -0.078 nan 8.180 nan 0.000 0.560 290 K N 8.505 128.446 120.400 -0.765 0.000 2.262 290 K HA 0.252 4.572 4.320 0.000 0.000 0.282 290 K C -2.288 173.527 176.600 -1.309 0.000 1.066 290 K CA -1.956 53.878 56.287 -0.754 0.000 0.901 290 K CB 0.463 32.686 32.500 -0.462 0.000 1.089 290 K HN 0.344 nan 8.250 nan 0.000 0.476 291 P HA 0.226 nan 4.420 nan 0.000 0.276 291 P C -0.279 176.544 177.300 -0.795 0.000 1.230 291 P CA -0.245 62.259 63.100 -0.994 0.000 0.776 291 P CB 0.887 32.114 31.700 -0.788 0.000 0.888 292 R N 1.368 121.497 120.500 -0.618 0.000 2.365 292 R HA 0.154 4.494 4.340 0.000 0.000 0.223 292 R C -0.057 176.092 176.300 -0.252 0.000 0.899 292 R CA -0.214 55.714 56.100 -0.288 0.000 1.059 292 R CB -0.387 29.863 30.300 -0.084 0.000 1.086 292 R HN 0.376 nan 8.270 nan 0.000 0.522 293 Y N -0.173 119.681 120.300 -0.744 0.000 3.491 293 Y HA -0.261 4.289 4.550 0.000 0.000 0.215 293 Y C 0.800 176.542 175.900 -0.263 0.000 1.219 293 Y CA 0.591 58.155 58.100 -0.893 0.000 1.485 293 Y CB -1.999 36.127 38.460 -0.557 0.000 1.450 293 Y HN 0.267 nan 8.280 nan 0.000 0.603 294 G N -0.448 108.405 108.800 0.089 0.000 2.521 294 G HA2 0.483 4.443 3.960 0.000 0.000 0.323 294 G HA3 0.483 4.443 3.960 0.000 0.000 0.323 294 G C 0.623 175.620 174.900 0.162 0.000 1.211 294 G CA -0.690 44.497 45.100 0.145 0.000 0.979 294 G HN 0.205 nan 8.290 nan 0.000 0.490 295 R N -0.936 119.555 120.500 -0.016 0.000 2.161 295 R HA 0.100 4.440 4.340 0.000 0.000 0.213 295 R C -0.102 175.808 176.300 -0.650 0.000 1.055 295 R CA 0.710 56.618 56.100 -0.320 0.000 0.996 295 R CB -0.071 29.939 30.300 -0.484 0.000 0.901 295 R HN 0.404 nan 8.270 nan 0.000 0.456 296 F N 1.142 121.061 119.950 -0.050 0.000 2.577 296 F HA 0.282 4.809 4.527 0.000 0.000 0.342 296 F C -0.935 174.806 175.800 -0.098 0.000 1.479 296 F CA -1.243 56.455 58.000 -0.503 0.000 1.110 296 F CB 0.707 39.245 39.000 -0.770 0.000 1.306 296 F HN -0.327 nan 8.300 nan 0.000 0.554 297 D N 1.522 122.104 120.400 0.304 0.000 2.316 297 D HA 0.208 4.848 4.640 0.000 0.000 0.245 297 D C 0.201 176.790 176.300 0.481 0.000 1.171 297 D CA 0.024 54.276 54.000 0.420 0.000 0.856 297 D CB 2.253 43.354 40.800 0.502 0.000 1.090 297 D HN -0.045 nan 8.370 nan 0.000 0.476 298 V N 3.764 123.927 119.914 0.415 0.000 2.529 298 V HA -0.009 4.111 4.120 0.000 0.000 0.292 298 V C 1.002 177.142 176.094 0.076 0.000 1.028 298 V CA -0.237 62.184 62.300 0.201 0.000 1.074 298 V CB 0.188 32.075 31.823 0.107 0.000 0.958 298 V HN 0.344 nan 8.190 nan 0.000 0.481 299 L N 8.363 129.524 121.223 -0.103 0.000 2.452 299 L HA 0.326 4.666 4.340 0.000 0.000 0.267 299 L C -1.704 174.985 176.870 -0.302 0.000 1.188 299 L CA -1.308 53.329 54.840 -0.339 0.000 0.821 299 L CB 0.726 42.655 42.059 -0.217 0.000 1.102 299 L HN 0.484 nan 8.230 nan 0.000 0.470 300 P HA 0.209 nan 4.420 nan 0.000 0.278 300 P C -1.037 176.213 177.300 -0.083 0.000 1.258 300 P CA -0.562 62.377 63.100 -0.267 0.000 0.811 300 P CB 0.983 32.413 31.700 -0.449 0.000 1.063 301 L N 0.907 122.158 121.223 0.048 0.000 2.349 301 L HA 0.265 4.605 4.340 0.000 0.000 0.275 301 L C 0.209 177.157 176.870 0.130 0.000 1.115 301 L CA -0.718 54.196 54.840 0.123 0.000 0.820 301 L CB 0.946 43.120 42.059 0.191 0.000 1.135 301 L HN 0.091 nan 8.230 nan 0.000 0.445 302 V N 5.699 125.703 119.914 0.150 0.000 2.275 302 V HA 0.335 4.455 4.120 0.000 0.000 0.272 302 V C 0.047 176.139 176.094 -0.004 0.000 1.028 302 V CA -0.324 61.995 62.300 0.032 0.000 0.810 302 V CB 1.027 32.904 31.823 0.090 0.000 1.043 302 V HN 0.485 nan 8.190 nan 0.000 0.453 303 L N 4.576 125.791 121.223 -0.014 0.000 2.296 303 L HA 0.615 4.955 4.340 0.000 0.000 0.286 303 L C -0.049 176.717 176.870 -0.172 0.000 1.023 303 L CA -0.339 54.476 54.840 -0.042 0.000 0.812 303 L CB 1.657 43.722 42.059 0.009 0.000 1.223 303 L HN 0.584 nan 8.230 nan 0.000 0.421 304 Q N 2.966 122.666 119.800 -0.167 0.000 2.325 304 Q HA 0.708 5.048 4.340 0.000 0.000 0.262 304 Q C -1.316 174.518 176.000 -0.276 0.000 0.968 304 Q CA -0.564 55.113 55.803 -0.211 0.000 0.877 304 Q CB 1.966 30.696 28.738 -0.013 0.000 1.253 304 Q HN 0.789 nan 8.270 nan 0.000 0.448 305 A N 3.693 126.277 122.820 -0.393 0.000 2.355 305 A HA 0.435 4.755 4.320 0.000 0.000 0.317 305 A C -0.251 176.850 177.584 -0.805 0.000 1.094 305 A CA -0.227 51.308 52.037 -0.835 0.000 0.764 305 A CB 1.174 19.882 19.000 -0.486 0.000 1.230 305 A HN 1.008 nan 8.150 nan 0.000 0.448 306 D N 1.043 120.649 120.400 -1.323 0.000 2.811 306 D HA -0.141 4.499 4.640 0.000 0.000 0.231 306 D C 1.218 177.405 176.300 -0.188 0.000 1.157 306 D CA 2.840 56.571 54.000 -0.449 0.000 0.716 306 D CB -1.079 39.632 40.800 -0.149 0.000 1.077 306 D HN 2.179 nan 8.370 nan 0.000 0.428 307 G N -1.305 107.363 108.800 -0.220 0.000 2.184 307 G HA2 -0.400 3.560 3.960 0.000 0.000 0.264 307 G HA3 -0.400 3.560 3.960 0.000 0.000 0.264 307 G C 0.378 175.234 174.900 -0.074 0.000 0.975 307 G CA 0.766 45.788 45.100 -0.129 0.000 0.642 307 G HN 0.630 nan 8.290 nan 0.000 0.536 308 Q N 0.627 120.358 119.800 -0.115 0.000 2.396 308 Q HA 0.451 4.791 4.340 0.000 0.000 0.221 308 Q C 0.038 175.982 176.000 -0.095 0.000 1.025 308 Q CA -0.487 55.275 55.803 -0.069 0.000 0.946 308 Q CB 0.476 29.163 28.738 -0.084 0.000 1.224 308 Q HN 0.318 nan 8.270 nan 0.000 0.539 309 D N 2.367 122.721 120.400 -0.076 0.000 2.472 309 D HA 0.024 4.664 4.640 0.000 0.000 0.237 309 D C -2.158 173.905 176.300 -0.395 0.000 1.141 309 D CA -0.800 53.046 54.000 -0.258 0.000 0.875 309 D CB 0.049 40.857 40.800 0.014 0.000 1.192 309 D HN 0.241 nan 8.370 nan 0.000 0.450 310 P HA 0.089 nan 4.420 nan 0.000 0.271 310 P C -0.634 176.433 177.300 -0.388 0.000 1.216 310 P CA -0.061 62.610 63.100 -0.715 0.000 0.776 310 P CB 0.970 31.763 31.700 -1.511 0.000 0.881 311 E N 0.896 120.949 120.200 -0.245 0.000 2.207 311 E HA 0.413 4.763 4.350 0.000 0.000 0.270 311 E C -0.659 175.777 176.600 -0.273 0.000 0.927 311 E CA -1.225 55.034 56.400 -0.236 0.000 0.799 311 E CB 1.941 31.542 29.700 -0.165 0.000 1.172 311 E HN 0.171 nan 8.360 nan 0.000 0.404 312 V N 2.983 122.627 119.914 -0.450 0.000 2.481 312 V HA 0.385 4.505 4.120 0.000 0.000 0.286 312 V C -0.773 174.916 176.094 -0.675 0.000 1.042 312 V CA -0.384 61.697 62.300 -0.367 0.000 0.928 312 V CB 0.230 31.913 31.823 -0.233 0.000 0.986 312 V HN 0.511 nan 8.190 nan 0.000 0.462 313 F N 1.733 121.535 119.950 -0.247 0.000 2.579 313 F HA 0.419 4.946 4.527 0.000 0.000 0.325 313 F C 0.416 176.071 175.800 -0.241 0.000 1.162 313 F CA -0.655 57.080 58.000 -0.442 0.000 0.946 313 F CB 1.498 39.936 39.000 -0.936 0.000 1.211 313 F HN 0.441 nan 8.300 nan 0.000 0.447 314 E N 3.533 123.743 120.200 0.016 0.000 2.373 314 E HA 0.281 4.631 4.350 0.000 0.000 0.267 314 E C -0.363 176.387 176.600 0.249 0.000 1.032 314 E CA -0.249 56.240 56.400 0.148 0.000 0.889 314 E CB 1.348 31.168 29.700 0.200 0.000 0.984 314 E HN 0.474 nan 8.360 nan 0.000 0.425 315 I N 4.800 125.515 120.570 0.243 0.000 2.416 315 I HA 0.102 4.272 4.170 0.000 0.000 0.288 315 I C -2.046 174.200 176.117 0.214 0.000 1.051 315 I CA -2.066 59.397 61.300 0.272 0.000 1.375 315 I CB 0.510 38.592 38.000 0.138 0.000 1.407 315 I HN 0.179 nan 8.210 nan 0.000 0.516 316 P HA 0.052 nan 4.420 nan 0.000 0.261 316 P C -2.020 175.344 177.300 0.106 0.000 1.203 316 P CA -0.791 62.401 63.100 0.153 0.000 0.767 316 P CB 0.154 31.929 31.700 0.124 0.000 0.785 317 P HA -0.222 nan 4.420 nan 0.000 0.217 317 P C 0.876 178.217 177.300 0.068 0.000 1.148 317 P CA 1.399 64.554 63.100 0.091 0.000 0.834 317 P CB -0.011 31.746 31.700 0.095 0.000 0.783 318 D N -1.099 119.337 120.400 0.059 0.000 2.263 318 D HA -0.072 4.569 4.640 0.000 0.000 0.208 318 D C 1.656 177.977 176.300 0.034 0.000 0.971 318 D CA 0.918 54.944 54.000 0.043 0.000 0.867 318 D CB -0.138 40.684 40.800 0.037 0.000 0.929 318 D HN 0.278 nan 8.370 nan 0.000 0.492 319 L N 0.413 121.657 121.223 0.035 0.000 2.558 319 L HA 0.056 4.396 4.340 0.000 0.000 0.225 319 L C 0.413 177.299 176.870 0.027 0.000 1.128 319 L CA 0.075 54.929 54.840 0.023 0.000 0.868 319 L CB 0.594 42.656 42.059 0.006 0.000 1.006 319 L HN -0.240 nan 8.230 nan 0.000 0.454 320 V N 1.949 121.885 119.914 0.036 0.000 2.304 320 V HA 0.176 4.296 4.120 0.000 0.000 0.269 320 V C -0.034 176.090 176.094 0.051 0.000 1.036 320 V CA -0.526 61.797 62.300 0.038 0.000 0.840 320 V CB 1.404 33.249 31.823 0.037 0.000 1.036 320 V HN 0.036 nan 8.190 nan 0.000 0.466 321 L N 5.716 126.971 121.223 0.054 0.000 2.331 321 L HA 0.518 4.858 4.340 0.000 0.000 0.278 321 L C 0.088 176.988 176.870 0.050 0.000 1.106 321 L CA 0.725 55.589 54.840 0.040 0.000 0.824 321 L CB 0.659 42.738 42.059 0.033 0.000 1.142 321 L HN 0.675 nan 8.230 nan 0.000 0.443 322 E N 3.265 123.473 120.200 0.013 0.000 2.336 322 E HA 0.587 4.937 4.350 0.000 0.000 0.267 322 E C -1.486 175.048 176.600 -0.110 0.000 0.906 322 E CA -1.040 55.359 56.400 -0.002 0.000 0.781 322 E CB 2.511 32.239 29.700 0.046 0.000 1.261 322 E HN 0.376 nan 8.360 nan 0.000 0.436 323 V N 1.773 121.579 119.914 -0.181 0.000 2.409 323 V HA 0.260 4.380 4.120 0.000 0.000 0.291 323 V C -0.030 175.995 176.094 -0.115 0.000 1.020 323 V CA -0.793 61.342 62.300 -0.274 0.000 0.848 323 V CB 1.503 32.904 31.823 -0.703 0.000 0.990 323 V HN 0.837 nan 8.190 nan 0.000 0.430 324 T N 3.667 118.173 114.554 -0.079 0.000 2.832 324 T HA 0.493 4.843 4.350 0.000 0.000 0.296 324 T C -0.093 174.631 174.700 0.041 0.000 0.968 324 T CA -0.772 61.317 62.100 -0.019 0.000 1.107 324 T CB 0.740 69.603 68.868 -0.009 0.000 0.916 324 T HN 0.311 nan 8.240 nan 0.000 0.517 325 M N 3.284 122.956 119.600 0.120 0.000 2.146 325 M HA 0.384 4.864 4.480 0.000 0.000 0.352 325 M C 0.225 176.686 176.300 0.267 0.000 1.343 325 M CA 0.149 55.584 55.300 0.224 0.000 1.115 325 M CB -0.098 32.733 32.600 0.385 0.000 1.657 325 M HN 0.788 nan 8.290 nan 0.000 0.471 326 E N 1.034 121.335 120.200 0.169 0.000 2.343 326 E HA 0.388 4.738 4.350 0.000 0.000 0.270 326 E C -1.100 175.489 176.600 -0.018 0.000 0.895 326 E CA -0.764 55.733 56.400 0.162 0.000 0.767 326 E CB 2.675 32.470 29.700 0.159 0.000 1.248 326 E HN 0.507 nan 8.360 nan 0.000 0.440 327 H N 3.038 121.976 119.070 -0.220 0.000 2.457 327 H HA 0.221 4.777 4.556 0.000 0.000 0.335 327 H C -1.857 173.182 175.328 -0.482 0.000 1.115 327 H CA -2.369 53.401 56.048 -0.463 0.000 1.219 327 H CB 1.796 31.242 29.762 -0.528 0.000 1.471 327 H HN 0.338 nan 8.280 nan 0.000 0.491 328 P HA -0.103 nan 4.420 nan 0.000 0.225 328 P C 0.514 177.632 177.300 -0.303 0.000 1.148 328 P CA 1.045 63.669 63.100 -0.794 0.000 0.779 328 P CB 0.784 31.906 31.700 -0.962 0.000 0.780 329 K N -1.399 118.958 120.400 -0.070 0.000 2.424 329 K HA 0.131 4.451 4.320 0.000 0.000 0.200 329 K C 0.810 177.294 176.600 -0.195 0.000 1.279 329 K CA 0.271 56.454 56.287 -0.174 0.000 0.918 329 K CB -0.226 32.078 32.500 -0.326 0.000 1.287 329 K HN 0.260 nan 8.250 nan 0.000 0.502 330 Y N 3.199 123.310 120.300 -0.314 0.000 2.585 330 Y HA 0.003 4.553 4.550 0.000 0.000 0.354 330 Y C 1.008 176.582 175.900 -0.543 0.000 1.024 330 Y CA -0.846 56.821 58.100 -0.721 0.000 1.321 330 Y CB 0.559 38.091 38.460 -1.547 0.000 1.151 330 Y HN 0.079 nan 8.280 nan 0.000 0.525 331 E N 2.663 122.791 120.200 -0.120 0.000 2.153 331 E HA -0.235 4.115 4.350 0.000 0.000 0.194 331 E C 1.597 178.230 176.600 0.054 0.000 0.988 331 E CA 1.274 57.676 56.400 0.004 0.000 0.811 331 E CB -0.421 29.327 29.700 0.080 0.000 0.746 331 E HN 0.867 nan 8.360 nan 0.000 0.466 332 W N -0.079 121.308 121.300 0.146 0.000 2.611 332 W HA 0.063 4.723 4.660 0.000 0.000 0.251 332 W C 1.178 177.755 176.519 0.097 0.000 1.265 332 W CA -0.147 57.247 57.345 0.081 0.000 1.295 332 W CB -0.885 28.579 29.460 0.006 0.000 1.129 332 W HN -0.017 nan 8.180 nan 0.000 0.630 333 F N 3.495 123.286 119.950 -0.265 0.000 2.134 333 F HA -0.298 4.229 4.527 0.000 0.000 0.299 333 F C 2.743 178.581 175.800 0.063 0.000 1.097 333 F CA 2.870 60.793 58.000 -0.128 0.000 1.264 333 F CB -0.286 38.563 39.000 -0.252 0.000 1.001 333 F HN -0.052 nan 8.300 nan 0.000 0.479 334 Q N 0.245 120.201 119.800 0.260 0.000 2.364 334 Q HA -0.185 4.155 4.340 0.000 0.000 0.207 334 Q C 1.428 177.500 176.000 0.120 0.000 0.970 334 Q CA 1.802 57.721 55.803 0.193 0.000 0.888 334 Q CB -1.130 27.699 28.738 0.153 0.000 0.951 334 Q HN 0.485 nan 8.270 nan 0.000 0.469 335 E N 0.530 120.807 120.200 0.128 0.000 2.268 335 E HA -0.067 4.283 4.350 0.000 0.000 0.195 335 E C 1.528 178.161 176.600 0.054 0.000 0.995 335 E CA 0.772 57.234 56.400 0.103 0.000 0.836 335 E CB -0.148 29.637 29.700 0.141 0.000 0.763 335 E HN 0.455 nan 8.360 nan 0.000 0.491 336 L N -0.201 121.020 121.223 -0.002 0.000 2.456 336 L HA -0.002 4.338 4.340 0.000 0.000 0.224 336 L C 1.429 178.302 176.870 0.004 0.000 1.148 336 L CA 0.483 55.282 54.840 -0.069 0.000 0.825 336 L CB -0.495 41.392 42.059 -0.286 0.000 0.937 336 L HN 0.231 nan 8.230 nan 0.000 0.450 337 G N 1.098 109.925 108.800 0.045 0.000 2.273 337 G HA2 -0.283 3.677 3.960 0.000 0.000 0.280 337 G HA3 -0.283 3.677 3.960 0.000 0.000 0.280 337 G C 0.063 175.042 174.900 0.131 0.000 1.047 337 G CA 0.048 45.206 45.100 0.097 0.000 0.869 337 G HN 0.261 nan 8.290 nan 0.000 0.502 338 L N -0.737 120.513 121.223 0.045 0.000 2.379 338 L HA 0.805 5.145 4.340 0.000 0.000 0.269 338 L C 0.659 177.449 176.870 -0.133 0.000 1.084 338 L CA -0.559 54.262 54.840 -0.032 0.000 0.802 338 L CB 1.626 43.582 42.059 -0.173 0.000 1.175 338 L HN 0.530 nan 8.230 nan 0.000 0.448 339 K N 0.608 120.773 120.400 -0.392 0.000 2.578 339 K HA 0.504 4.824 4.320 0.000 0.000 0.287 339 K C -2.047 174.553 176.600 -0.001 0.000 1.010 339 K CA -1.057 55.098 56.287 -0.220 0.000 0.889 339 K CB 2.252 34.535 32.500 -0.361 0.000 1.514 339 K HN 0.589 nan 8.250 nan 0.000 0.424 340 W N 1.671 122.930 121.300 -0.068 0.000 3.146 340 W HA 0.340 5.000 4.660 0.000 0.000 0.319 340 W C -1.331 175.214 176.519 0.044 0.000 1.258 340 W CA -0.788 56.572 57.345 0.025 0.000 1.189 340 W CB 1.575 30.931 29.460 -0.173 0.000 1.412 340 W HN 0.684 nan 8.180 nan 0.000 0.567 341 Y N 0.945 121.090 120.300 -0.259 0.000 2.326 341 Y HA 0.533 5.083 4.550 0.000 0.000 0.333 341 Y C 0.827 176.913 175.900 0.310 0.000 1.240 341 Y CA 0.015 58.083 58.100 -0.054 0.000 1.365 341 Y CB 0.144 38.453 38.460 -0.251 0.000 1.289 341 Y HN 0.340 nan 8.280 nan 0.000 0.548 342 A N 2.125 125.175 122.820 0.384 0.000 2.072 342 A HA 0.102 4.422 4.320 0.000 0.000 0.216 342 A C 0.445 178.382 177.584 0.588 0.000 1.156 342 A CA 0.199 52.528 52.037 0.487 0.000 0.701 342 A CB -0.246 18.885 19.000 0.219 0.000 0.816 342 A HN 0.655 nan 8.150 nan 0.000 0.458 343 L N 2.074 123.583 121.223 0.477 0.000 2.262 343 L HA 0.414 4.754 4.340 0.000 0.000 0.288 343 L C -2.559 174.449 176.870 0.231 0.000 1.035 343 L CA -2.181 52.840 54.840 0.302 0.000 0.820 343 L CB 1.486 43.647 42.059 0.169 0.000 1.204 343 L HN -0.029 nan 8.230 nan 0.000 0.424 344 P HA 0.397 nan 4.420 nan 0.000 0.295 344 P C -1.532 175.660 177.300 -0.180 0.000 1.354 344 P CA -0.363 62.540 63.100 -0.328 0.000 0.814 344 P CB 1.439 32.527 31.700 -1.020 0.000 0.935 345 A N 4.193 126.927 122.820 -0.143 0.000 2.353 345 A HA 0.469 4.789 4.320 0.000 0.000 0.299 345 A C -0.451 176.941 177.584 -0.320 0.000 1.089 345 A CA -0.686 51.213 52.037 -0.230 0.000 0.736 345 A CB 1.309 20.173 19.000 -0.227 0.000 1.195 345 A HN 0.282 nan 8.150 nan 0.000 0.447 346 V N 2.460 122.054 119.914 -0.534 0.000 2.470 346 V HA 0.378 4.498 4.120 0.000 0.000 0.276 346 V C 1.217 176.907 176.094 -0.674 0.000 1.040 346 V CA 0.908 62.833 62.300 -0.626 0.000 1.008 346 V CB 0.859 32.124 31.823 -0.931 0.000 0.990 346 V HN 1.132 nan 8.190 nan 0.000 0.477 347 A N 4.231 126.827 122.820 -0.373 0.000 2.229 347 A HA 0.111 4.432 4.320 0.000 0.000 0.211 347 A C 1.288 178.787 177.584 -0.141 0.000 1.193 347 A CA 0.442 52.326 52.037 -0.256 0.000 0.879 347 A CB -0.154 18.745 19.000 -0.167 0.000 0.911 347 A HN 0.921 nan 8.150 nan 0.000 0.492 348 N N -1.211 117.417 118.700 -0.120 0.000 2.275 348 N HA 0.310 5.050 4.740 0.000 0.000 0.236 348 N C 0.100 175.625 175.510 0.025 0.000 1.154 348 N CA -0.256 52.776 53.050 -0.030 0.000 0.866 348 N CB 0.169 38.637 38.487 -0.031 0.000 1.093 348 N HN 0.289 nan 8.380 nan 0.000 0.515 349 M N 1.087 120.702 119.600 0.025 0.000 2.371 349 M HA 0.359 4.839 4.480 0.000 0.000 0.301 349 M C -0.606 175.822 176.300 0.213 0.000 1.173 349 M CA -0.838 54.548 55.300 0.143 0.000 1.020 349 M CB 2.092 34.793 32.600 0.168 0.000 1.490 349 M HN 0.136 nan 8.290 nan 0.000 0.485 350 L N 2.299 123.686 121.223 0.273 0.000 2.333 350 L HA 0.537 4.878 4.340 0.000 0.000 0.280 350 L C -1.466 175.633 176.870 0.381 0.000 1.004 350 L CA -1.021 53.998 54.840 0.299 0.000 0.820 350 L CB 1.399 43.595 42.059 0.228 0.000 1.247 350 L HN 0.576 nan 8.230 nan 0.000 0.416 351 L N 5.068 126.520 121.223 0.381 0.000 2.265 351 L HA 0.444 4.784 4.340 0.000 0.000 0.288 351 L C -0.372 176.656 176.870 0.263 0.000 1.058 351 L CA 0.416 55.420 54.840 0.274 0.000 0.809 351 L CB 0.997 43.186 42.059 0.217 0.000 1.179 351 L HN 0.632 nan 8.230 nan 0.000 0.429 352 E N 5.007 125.317 120.200 0.182 0.000 2.151 352 E HA 0.520 4.870 4.350 0.000 0.000 0.275 352 E C -1.874 174.745 176.600 0.031 0.000 0.936 352 E CA -0.428 56.068 56.400 0.160 0.000 0.777 352 E CB 1.848 31.733 29.700 0.309 0.000 1.108 352 E HN 0.529 nan 8.360 nan 0.000 0.401 353 V N 3.098 122.997 119.914 -0.025 0.000 2.789 353 V HA 0.476 4.596 4.120 0.000 0.000 0.300 353 V C 0.300 176.258 176.094 -0.227 0.000 1.184 353 V CA 0.445 62.626 62.300 -0.199 0.000 0.930 353 V CB 1.347 32.963 31.823 -0.345 0.000 1.041 353 V HN 0.865 nan 8.190 nan 0.000 0.430 354 G N 4.298 112.999 108.800 -0.165 0.000 2.379 354 G HA2 0.075 4.035 3.960 0.000 0.000 0.297 354 G HA3 0.075 4.035 3.960 0.000 0.000 0.297 354 G C 1.628 176.666 174.900 0.230 0.000 1.004 354 G CA 1.506 46.679 45.100 0.123 0.000 0.921 354 G HN 2.770 nan 8.290 nan 0.000 0.511 355 G N -2.183 106.691 108.800 0.124 0.000 2.217 355 G HA2 -0.236 3.724 3.960 0.000 0.000 0.246 355 G HA3 -0.236 3.724 3.960 0.000 0.000 0.246 355 G C 0.508 175.445 174.900 0.060 0.000 0.990 355 G CA 0.529 45.734 45.100 0.175 0.000 0.627 355 G HN 1.231 nan 8.290 nan 0.000 0.522 356 L N 0.358 121.562 121.223 -0.030 0.000 2.399 356 L HA 0.722 5.062 4.340 0.000 0.000 0.265 356 L C 0.318 177.079 176.870 -0.182 0.000 1.089 356 L CA -0.637 54.090 54.840 -0.188 0.000 0.802 356 L CB 1.212 43.058 42.059 -0.355 0.000 1.180 356 L HN 0.166 nan 8.230 nan 0.000 0.454 357 E N 1.315 121.329 120.200 -0.309 0.000 2.246 357 E HA 0.391 4.741 4.350 0.000 0.000 0.266 357 E C -1.650 174.757 176.600 -0.323 0.000 0.880 357 E CA -0.392 55.902 56.400 -0.177 0.000 0.762 357 E CB 2.013 31.654 29.700 -0.097 0.000 1.180 357 E HN 0.248 nan 8.360 nan 0.000 0.416 358 F N 3.391 123.361 119.950 0.033 0.000 2.311 358 F HA 0.305 4.832 4.527 0.000 0.000 0.371 358 F C -1.787 174.082 175.800 0.115 0.000 1.083 358 F CA -2.160 55.878 58.000 0.064 0.000 1.113 358 F CB 1.386 40.417 39.000 0.052 0.000 1.349 358 F HN 0.358 nan 8.300 nan 0.000 0.470 359 P HA -0.052 nan 4.420 nan 0.000 0.226 359 P C -0.119 177.317 177.300 0.227 0.000 1.153 359 P CA 0.691 63.907 63.100 0.193 0.000 0.777 359 P CB 0.451 32.236 31.700 0.143 0.000 0.794 360 A N 0.111 123.116 122.820 0.308 0.000 2.410 360 A HA 0.550 4.871 4.320 0.000 0.000 0.289 360 A C -0.306 177.538 177.584 0.432 0.000 1.200 360 A CA -0.445 51.794 52.037 0.337 0.000 0.751 360 A CB 0.230 19.421 19.000 0.318 0.000 1.161 360 A HN 0.265 nan 8.150 nan 0.000 0.459 361 C N 1.049 120.534 119.300 0.309 0.000 3.253 361 C HA 0.496 4.956 4.460 0.000 0.000 0.230 361 C C -2.815 172.265 174.990 0.150 0.000 1.124 361 C CA -1.608 57.551 59.018 0.235 0.000 1.143 361 C CB -0.158 27.721 27.740 0.232 0.000 1.794 361 C HN 0.585 nan 8.230 nan 0.000 0.617 362 P HA 0.401 nan 4.420 nan 0.000 0.268 362 P C -0.653 176.615 177.300 -0.052 0.000 1.205 362 P CA 0.835 63.847 63.100 -0.146 0.000 0.771 362 P CB 0.681 32.305 31.700 -0.126 0.000 0.858 363 F N 0.161 120.033 119.950 -0.131 0.000 2.626 363 F HA 0.675 5.202 4.527 0.000 0.000 0.311 363 F C -0.801 174.897 175.800 -0.171 0.000 1.088 363 F CA -1.200 56.727 58.000 -0.121 0.000 0.949 363 F CB 1.635 40.423 39.000 -0.353 0.000 1.322 363 F HN 0.374 nan 8.300 nan 0.000 0.461 364 N N -0.134 118.655 118.700 0.148 0.000 2.494 364 N HA 0.729 5.469 4.740 0.000 0.000 0.270 364 N C -1.236 174.208 175.510 -0.111 0.000 1.285 364 N CA -0.453 52.604 53.050 0.012 0.000 0.812 364 N CB 2.066 40.599 38.487 0.077 0.000 1.557 364 N HN 1.080 nan 8.380 nan 0.000 0.487 365 G N -0.763 107.927 108.800 -0.183 0.000 3.259 365 G HA2 0.680 4.640 3.960 0.000 0.000 0.178 365 G HA3 0.680 4.640 3.960 0.000 0.000 0.178 365 G C -1.731 173.102 174.900 -0.111 0.000 1.129 365 G CA -0.759 44.140 45.100 -0.336 0.000 0.816 365 G HN 0.696 nan 8.290 nan 0.000 0.634 366 W N -1.674 119.622 121.300 -0.006 0.000 2.820 366 W HA 0.812 5.472 4.660 0.000 0.000 0.350 366 W C -1.386 175.124 176.519 -0.016 0.000 1.116 366 W CA -2.218 55.139 57.345 0.020 0.000 1.146 366 W CB 0.347 29.853 29.460 0.077 0.000 1.433 366 W HN 0.400 nan 8.180 nan 0.000 0.561 367 Y N 2.259 122.730 120.300 0.285 0.000 2.379 367 Y HA 0.230 4.780 4.550 0.000 0.000 0.337 367 Y C 0.750 176.684 175.900 0.057 0.000 1.238 367 Y CA -0.381 57.761 58.100 0.070 0.000 1.405 367 Y CB 1.007 39.390 38.460 -0.128 0.000 1.310 367 Y HN 0.427 nan 8.280 nan 0.000 0.569 368 M N 2.195 121.931 119.600 0.227 0.000 2.268 368 M HA 0.360 4.840 4.480 0.000 0.000 0.344 368 M C 1.135 177.419 176.300 -0.026 0.000 1.106 368 M CA -0.098 55.266 55.300 0.105 0.000 1.010 368 M CB 1.360 34.006 32.600 0.077 0.000 1.649 368 M HN 0.848 nan 8.290 nan 0.000 0.443 369 G N 1.502 110.244 108.800 -0.097 0.000 2.547 369 G HA2 -0.310 3.650 3.960 0.000 0.000 0.221 369 G HA3 -0.310 3.650 3.960 0.000 0.000 0.221 369 G C 1.134 175.880 174.900 -0.257 0.000 1.140 369 G CA 1.822 46.792 45.100 -0.215 0.000 0.760 369 G HN 0.877 nan 8.290 nan 0.000 0.583 370 T N -0.777 113.645 114.554 -0.221 0.000 2.881 370 T HA -0.026 4.324 4.350 0.000 0.000 0.270 370 T C 1.927 176.453 174.700 -0.291 0.000 1.068 370 T CA 1.564 63.485 62.100 -0.299 0.000 1.131 370 T CB -0.268 68.365 68.868 -0.392 0.000 0.871 370 T HN 0.546 nan 8.240 nan 0.000 0.479 371 E N 1.014 121.069 120.200 -0.241 0.000 2.085 371 E HA -0.063 4.287 4.350 0.000 0.000 0.194 371 E C 2.091 178.414 176.600 -0.461 0.000 0.994 371 E CA 1.422 57.690 56.400 -0.221 0.000 0.801 371 E CB -0.314 29.402 29.700 0.025 0.000 0.743 371 E HN 0.595 nan 8.360 nan 0.000 0.453 372 I N 0.385 120.525 120.570 -0.716 0.000 2.364 372 I HA -0.048 4.122 4.170 0.000 0.000 0.241 372 I C 2.647 178.168 176.117 -0.994 0.000 1.082 372 I CA 0.859 61.437 61.300 -1.203 0.000 1.401 372 I CB -0.588 36.580 38.000 -1.387 0.000 1.126 372 I HN 0.097 nan 8.210 nan 0.000 0.429 373 G N 0.655 109.112 108.800 -0.572 0.000 2.442 373 G HA2 -0.153 3.807 3.960 0.000 0.000 0.219 373 G HA3 -0.153 3.807 3.960 0.000 0.000 0.219 373 G C 1.569 176.395 174.900 -0.123 0.000 1.141 373 G CA 1.274 46.241 45.100 -0.221 0.000 0.763 373 G HN 0.251 nan 8.290 nan 0.000 0.554 374 V N -0.174 119.613 119.914 -0.212 0.000 2.627 374 V HA 0.109 4.229 4.120 0.000 0.000 0.239 374 V C 2.741 178.755 176.094 -0.134 0.000 1.077 374 V CA 0.737 62.950 62.300 -0.144 0.000 1.103 374 V CB -0.175 31.537 31.823 -0.186 0.000 0.802 374 V HN 0.097 nan 8.190 nan 0.000 0.482 375 R N 0.811 121.191 120.500 -0.199 0.000 2.055 375 R HA -0.034 4.306 4.340 0.000 0.000 0.228 375 R C 1.964 178.188 176.300 -0.127 0.000 1.143 375 R CA 1.546 57.555 56.100 -0.151 0.000 0.945 375 R CB -1.114 29.087 30.300 -0.164 0.000 0.841 375 R HN 0.472 nan 8.270 nan 0.000 0.429 376 D N 0.432 120.646 120.400 -0.310 0.000 2.092 376 D HA -0.133 4.507 4.640 0.000 0.000 0.193 376 D C 1.881 178.196 176.300 0.025 0.000 0.994 376 D CA 1.195 54.997 54.000 -0.330 0.000 0.828 376 D CB -0.199 39.851 40.800 -1.251 0.000 0.963 376 D HN 0.099 nan 8.370 nan 0.000 0.450 377 F N 0.199 120.062 119.950 -0.145 0.000 2.335 377 F HA 0.038 4.565 4.527 0.000 0.000 0.296 377 F C 2.366 178.211 175.800 0.074 0.000 1.091 377 F CA -0.248 57.761 58.000 0.015 0.000 1.399 377 F CB -0.640 38.355 39.000 -0.008 0.000 1.067 377 F HN 0.044 nan 8.300 nan 0.000 0.520 378 C N -1.324 118.095 119.300 0.198 0.000 3.019 378 C HA 0.195 4.655 4.460 0.000 0.000 0.295 378 C C 0.477 175.516 174.990 0.081 0.000 1.256 378 C CA -0.661 58.434 59.018 0.128 0.000 1.706 378 C CB -0.569 27.214 27.740 0.072 0.000 2.153 378 C HN 0.068 nan 8.230 nan 0.000 0.618 379 D N 1.782 122.223 120.400 0.068 0.000 2.488 379 D HA 0.059 4.699 4.640 0.000 0.000 0.238 379 D C 1.558 177.902 176.300 0.074 0.000 1.138 379 D CA 0.542 54.571 54.000 0.048 0.000 0.873 379 D CB 1.010 41.835 40.800 0.043 0.000 1.183 379 D HN 0.425 nan 8.370 nan 0.000 0.458 380 T N -0.372 114.214 114.554 0.053 0.000 2.867 380 T HA -0.230 4.120 4.350 0.000 0.000 0.268 380 T C 1.330 176.063 174.700 0.055 0.000 1.057 380 T CA 0.757 62.891 62.100 0.058 0.000 1.136 380 T CB -0.016 68.878 68.868 0.044 0.000 0.874 380 T HN 0.456 nan 8.240 nan 0.000 0.466 381 Q N 0.869 120.699 119.800 0.050 0.000 2.280 381 Q HA 0.197 4.537 4.340 0.000 0.000 0.202 381 Q C 0.774 176.805 176.000 0.052 0.000 0.903 381 Q CA -0.126 55.703 55.803 0.044 0.000 0.948 381 Q CB 0.098 28.861 28.738 0.040 0.000 1.058 381 Q HN 0.378 nan 8.270 nan 0.000 0.493 382 R N -0.431 120.119 120.500 0.082 0.000 2.618 382 R HA 0.258 4.598 4.340 0.000 0.000 0.108 382 R C 1.322 177.675 176.300 0.087 0.000 1.220 382 R CA -0.354 55.822 56.100 0.127 0.000 1.020 382 R CB -1.095 29.346 30.300 0.235 0.000 0.950 382 R HN 0.080 nan 8.270 nan 0.000 0.397 383 Y N 1.458 121.890 120.300 0.220 0.000 2.516 383 Y HA -0.026 4.524 4.550 0.000 0.000 0.291 383 Y C 0.585 176.572 175.900 0.145 0.000 1.131 383 Y CA 0.617 58.849 58.100 0.219 0.000 1.281 383 Y CB -0.358 38.322 38.460 0.368 0.000 1.013 383 Y HN 0.465 nan 8.280 nan 0.000 0.554 384 N N 0.944 119.793 118.700 0.248 0.000 2.669 384 N HA -0.230 4.510 4.740 0.000 0.000 0.266 384 N C 0.378 175.978 175.510 0.150 0.000 1.024 384 N CA 0.809 53.957 53.050 0.164 0.000 0.766 384 N CB -1.225 37.325 38.487 0.105 0.000 0.898 384 N HN 0.661 nan 8.380 nan 0.000 0.548 385 I N -3.099 117.570 120.570 0.165 0.000 3.883 385 I HA 0.101 4.271 4.170 0.000 0.000 0.326 385 I C 1.707 177.900 176.117 0.126 0.000 1.283 385 I CA -0.396 60.968 61.300 0.106 0.000 1.161 385 I CB -0.087 37.931 38.000 0.029 0.000 1.012 385 I HN 0.164 nan 8.210 nan 0.000 0.421 386 L N 2.088 123.409 121.223 0.165 0.000 1.978 386 L HA -0.278 4.062 4.340 0.000 0.000 0.218 386 L C 2.611 179.686 176.870 0.343 0.000 1.075 386 L CA 2.505 57.477 54.840 0.221 0.000 0.767 386 L CB -0.818 41.334 42.059 0.155 0.000 0.890 386 L HN 0.533 nan 8.230 nan 0.000 0.434 387 E N -0.950 119.435 120.200 0.307 0.000 2.085 387 E HA -0.301 4.049 4.350 0.000 0.000 0.194 387 E C 2.153 178.746 176.600 -0.012 0.000 0.994 387 E CA 1.513 58.017 56.400 0.172 0.000 0.801 387 E CB -0.219 29.520 29.700 0.066 0.000 0.743 387 E HN 0.656 nan 8.360 nan 0.000 0.453 388 E N -0.234 119.966 120.200 -0.001 0.000 2.077 388 E HA -0.174 4.176 4.350 0.000 0.000 0.193 388 E C 2.070 178.608 176.600 -0.103 0.000 0.989 388 E CA 1.324 57.678 56.400 -0.076 0.000 0.800 388 E CB 0.166 29.831 29.700 -0.059 0.000 0.746 388 E HN 0.186 nan 8.360 nan 0.000 0.452 389 V N 0.328 120.252 119.914 0.018 0.000 2.427 389 V HA -0.154 3.966 4.120 0.000 0.000 0.248 389 V C 2.309 178.435 176.094 0.053 0.000 1.051 389 V CA 1.717 64.075 62.300 0.096 0.000 1.048 389 V CB -0.656 31.329 31.823 0.269 0.000 0.666 389 V HN 0.473 nan 8.190 nan 0.000 0.456 390 G N 0.060 108.919 108.800 0.098 0.000 2.421 390 G HA2 -0.229 3.732 3.960 0.000 0.000 0.216 390 G HA3 -0.229 3.732 3.960 0.000 0.000 0.216 390 G C 1.735 176.515 174.900 -0.200 0.000 1.171 390 G CA 0.663 45.791 45.100 0.046 0.000 0.775 390 G HN 0.430 nan 8.290 nan 0.000 0.543 391 R N -0.076 120.248 120.500 -0.293 0.000 2.073 391 R HA -0.006 4.334 4.340 0.000 0.000 0.234 391 R C 2.738 178.800 176.300 -0.397 0.000 1.134 391 R CA 1.030 56.933 56.100 -0.329 0.000 0.952 391 R CB -0.322 29.799 30.300 -0.299 0.000 0.850 391 R HN 0.162 nan 8.270 nan 0.000 0.433 392 R N 0.526 120.687 120.500 -0.565 0.000 2.159 392 R HA -0.085 4.255 4.340 0.000 0.000 0.237 392 R C 1.954 177.715 176.300 -0.899 0.000 1.131 392 R CA 1.256 56.727 56.100 -1.047 0.000 0.982 392 R CB -0.307 28.829 30.300 -1.940 0.000 0.868 392 R HN 0.362 nan 8.270 nan 0.000 0.453 393 M N -0.631 118.690 119.600 -0.466 0.000 2.561 393 M HA 0.114 4.594 4.480 0.000 0.000 0.238 393 M C 0.731 176.944 176.300 -0.144 0.000 1.131 393 M CA 0.659 55.829 55.300 -0.217 0.000 1.046 393 M CB 0.436 33.023 32.600 -0.022 0.000 1.532 393 M HN 0.348 nan 8.290 nan 0.000 0.497 394 G N 1.870 110.550 108.800 -0.200 0.000 2.176 394 G HA2 -0.236 3.725 3.960 0.000 0.000 0.252 394 G HA3 -0.236 3.725 3.960 0.000 0.000 0.252 394 G C -0.041 174.802 174.900 -0.095 0.000 1.024 394 G CA -0.112 44.902 45.100 -0.142 0.000 0.755 394 G HN 0.402 nan 8.290 nan 0.000 0.507 395 L N -0.762 120.399 121.223 -0.104 0.000 2.454 395 L HA 0.431 4.771 4.340 0.000 0.000 0.256 395 L C 0.961 177.729 176.870 -0.170 0.000 1.136 395 L CA -0.731 54.072 54.840 -0.062 0.000 0.804 395 L CB 0.519 42.609 42.059 0.052 0.000 1.181 395 L HN 0.167 nan 8.230 nan 0.000 0.469 396 E N 0.093 120.227 120.200 -0.110 0.000 1.972 396 E HA 0.004 4.354 4.350 0.000 0.000 0.292 396 E C 0.726 177.071 176.600 -0.426 0.000 1.193 396 E CA -0.066 56.243 56.400 -0.151 0.000 1.228 396 E CB 0.022 29.717 29.700 -0.009 0.000 1.167 396 E HN 0.637 nan 8.360 nan 0.000 0.479 397 T N -1.824 112.210 114.554 -0.866 0.000 3.155 397 T HA -0.138 4.213 4.350 0.000 0.000 0.264 397 T C 0.944 175.028 174.700 -1.027 0.000 1.160 397 T CA 0.708 61.765 62.100 -1.739 0.000 1.075 397 T CB -0.073 67.799 68.868 -1.660 0.000 0.921 397 T HN 0.416 nan 8.240 nan 0.000 0.533 398 H N 0.198 119.076 119.070 -0.320 0.000 2.594 398 H HA 0.281 4.838 4.556 0.000 0.000 0.279 398 H C -0.135 175.198 175.328 0.008 0.000 1.042 398 H CA -0.013 55.971 56.048 -0.108 0.000 1.177 398 H CB 0.759 30.461 29.762 -0.101 0.000 1.524 398 H HN 0.340 nan 8.280 nan 0.000 0.537 399 T N 1.957 116.588 114.554 0.129 0.000 3.009 399 T HA 0.203 4.553 4.350 0.000 0.000 0.346 399 T C 1.465 176.338 174.700 0.288 0.000 1.092 399 T CA -0.343 61.862 62.100 0.175 0.000 1.080 399 T CB 1.282 70.225 68.868 0.124 0.000 1.037 399 T HN 0.097 nan 8.240 nan 0.000 0.487 400 L N 1.696 123.075 121.223 0.261 0.000 2.051 400 L HA -0.207 4.133 4.340 0.000 0.000 0.214 400 L C 2.797 179.746 176.870 0.131 0.000 1.076 400 L CA 1.695 56.660 54.840 0.208 0.000 0.758 400 L CB -0.406 41.722 42.059 0.115 0.000 0.890 400 L HN 0.724 nan 8.230 nan 0.000 0.433 401 A N -0.412 122.475 122.820 0.111 0.000 2.125 401 A HA -0.185 4.135 4.320 0.000 0.000 0.219 401 A C 2.363 180.001 177.584 0.091 0.000 1.156 401 A CA 1.601 53.685 52.037 0.078 0.000 0.671 401 A CB -0.545 18.494 19.000 0.065 0.000 0.794 401 A HN 0.587 nan 8.150 nan 0.000 0.459 402 S N -0.668 115.120 115.700 0.146 0.000 2.515 402 S HA 0.096 4.566 4.470 0.000 0.000 0.231 402 S C 0.894 175.579 174.600 0.142 0.000 0.987 402 S CA 0.691 58.982 58.200 0.152 0.000 0.936 402 S CB -0.702 62.619 63.200 0.201 0.000 0.766 402 S HN 0.870 nan 8.310 nan 0.000 0.528 403 L N 0.256 121.537 121.223 0.097 0.000 4.040 403 L HA -0.173 4.167 4.340 0.000 0.000 0.410 403 L C 1.648 178.530 176.870 0.020 0.000 1.187 403 L CA 0.768 55.610 54.840 0.003 0.000 0.956 403 L CB -2.662 39.407 42.059 0.018 0.000 2.022 403 L HN 0.758 nan 8.230 nan 0.000 0.897 404 W N 0.438 121.749 121.300 0.019 0.000 2.350 404 W HA -0.161 4.499 4.660 0.000 0.000 0.289 404 W C 1.681 178.216 176.519 0.027 0.000 1.215 404 W CA 1.390 58.746 57.345 0.018 0.000 1.236 404 W CB -0.733 28.724 29.460 -0.005 0.000 1.130 404 W HN 0.280 nan 8.180 nan 0.000 0.541 405 K N 1.005 120.852 120.400 -0.922 0.000 2.097 405 K HA -0.161 4.159 4.320 0.000 0.000 0.206 405 K C 1.488 177.909 176.600 -0.298 0.000 1.049 405 K CA 2.283 58.046 56.287 -0.872 0.000 0.933 405 K CB -0.353 31.546 32.500 -1.002 0.000 0.717 405 K HN 0.096 nan 8.250 nan 0.000 0.442 406 D N 0.208 120.492 120.400 -0.193 0.000 2.117 406 D HA -0.090 4.550 4.640 0.000 0.000 0.198 406 D C 1.938 178.246 176.300 0.014 0.000 0.982 406 D CA 0.997 54.955 54.000 -0.070 0.000 0.828 406 D CB 0.073 40.847 40.800 -0.044 0.000 0.967 406 D HN 0.097 nan 8.370 nan 0.000 0.464 407 R N 0.495 121.031 120.500 0.059 0.000 2.075 407 R HA 0.004 4.344 4.340 0.000 0.000 0.232 407 R C 2.269 178.675 176.300 0.176 0.000 1.126 407 R CA 1.181 57.359 56.100 0.130 0.000 0.963 407 R CB -0.260 30.140 30.300 0.166 0.000 0.858 407 R HN 0.135 nan 8.270 nan 0.000 0.435 408 A N 0.554 123.488 122.820 0.191 0.000 1.855 408 A HA -0.125 4.195 4.320 0.000 0.000 0.215 408 A C 2.273 179.982 177.584 0.209 0.000 1.191 408 A CA 1.394 53.580 52.037 0.248 0.000 0.613 408 A CB -0.842 18.339 19.000 0.302 0.000 0.829 408 A HN 0.202 nan 8.150 nan 0.000 0.442 409 V N -0.123 119.859 119.914 0.113 0.000 2.392 409 V HA -0.217 3.903 4.120 0.000 0.000 0.249 409 V C 2.536 178.692 176.094 0.104 0.000 1.059 409 V CA 2.938 65.293 62.300 0.091 0.000 1.051 409 V CB -0.812 31.015 31.823 0.005 0.000 0.658 409 V HN 0.637 nan 8.190 nan 0.000 0.455 410 T N -0.339 114.280 114.554 0.108 0.000 2.821 410 T HA -0.109 4.242 4.350 0.000 0.000 0.267 410 T C 1.778 176.563 174.700 0.142 0.000 1.046 410 T CA 1.415 63.583 62.100 0.112 0.000 1.139 410 T CB -0.215 68.718 68.868 0.109 0.000 0.871 410 T HN 0.496 nan 8.240 nan 0.000 0.454 411 E N 0.900 121.231 120.200 0.218 0.000 2.150 411 E HA 0.035 4.385 4.350 0.000 0.000 0.193 411 E C 2.139 178.882 176.600 0.238 0.000 0.985 411 E CA 0.566 57.149 56.400 0.304 0.000 0.814 411 E CB -0.307 29.677 29.700 0.473 0.000 0.752 411 E HN 0.537 nan 8.360 nan 0.000 0.466 412 I N 1.361 122.087 120.570 0.260 0.000 2.286 412 I HA -0.226 3.944 4.170 0.000 0.000 0.245 412 I C 1.994 178.180 176.117 0.115 0.000 1.104 412 I CA 0.674 62.134 61.300 0.267 0.000 1.397 412 I CB -0.253 37.965 38.000 0.363 0.000 1.072 412 I HN 0.019 nan 8.210 nan 0.000 0.417 413 N N 0.657 119.403 118.700 0.077 0.000 2.166 413 N HA -0.131 4.609 4.740 0.000 0.000 0.186 413 N C 1.940 177.440 175.510 -0.016 0.000 1.019 413 N CA 1.143 54.202 53.050 0.014 0.000 0.856 413 N CB -0.270 38.231 38.487 0.024 0.000 0.993 413 N HN 0.158 nan 8.380 nan 0.000 0.426 414 V N 1.559 121.450 119.914 -0.039 0.000 2.343 414 V HA -0.187 3.934 4.120 0.000 0.000 0.247 414 V C 2.427 178.379 176.094 -0.236 0.000 1.051 414 V CA 1.719 63.936 62.300 -0.139 0.000 1.036 414 V CB -0.876 30.821 31.823 -0.211 0.000 0.654 414 V HN 0.276 nan 8.190 nan 0.000 0.451 415 A N -0.171 122.456 122.820 -0.323 0.000 1.877 415 A HA -0.173 4.147 4.320 0.000 0.000 0.216 415 A C 2.407 179.929 177.584 -0.104 0.000 1.186 415 A CA 2.182 53.973 52.037 -0.410 0.000 0.620 415 A CB -0.745 17.707 19.000 -0.914 0.000 0.822 415 A HN 0.323 nan 8.150 nan 0.000 0.443 416 V N 0.191 120.095 119.914 -0.017 0.000 2.255 416 V HA -0.291 3.829 4.120 0.000 0.000 0.247 416 V C 2.610 178.753 176.094 0.080 0.000 1.051 416 V CA 2.148 64.492 62.300 0.074 0.000 1.018 416 V CB -0.843 30.953 31.823 -0.043 0.000 0.641 416 V HN 0.577 nan 8.190 nan 0.000 0.445 417 L N -0.617 120.602 121.223 -0.007 0.000 2.017 417 L HA -0.224 4.116 4.340 0.000 0.000 0.208 417 L C 2.649 179.547 176.870 0.047 0.000 1.073 417 L CA 2.146 56.986 54.840 -0.001 0.000 0.745 417 L CB -1.000 41.049 42.059 -0.016 0.000 0.894 417 L HN 0.509 nan 8.230 nan 0.000 0.432 418 H N -0.043 118.982 119.070 -0.075 0.000 2.319 418 H HA -0.154 4.402 4.556 0.000 0.000 0.299 418 H C 2.269 177.576 175.328 -0.036 0.000 1.092 418 H CA 1.931 57.922 56.048 -0.095 0.000 1.302 418 H CB 0.340 29.977 29.762 -0.208 0.000 1.373 418 H HN 0.256 nan 8.280 nan 0.000 0.497 419 S N 0.158 115.799 115.700 -0.099 0.000 2.368 419 S HA -0.106 4.364 4.470 0.000 0.000 0.224 419 S C 1.987 176.539 174.600 -0.079 0.000 1.029 419 S CA 1.131 59.259 58.200 -0.121 0.000 0.988 419 S CB -0.489 62.726 63.200 0.026 0.000 0.838 419 S HN 0.288 nan 8.310 nan 0.000 0.462 420 F N 2.088 121.971 119.950 -0.111 0.000 2.102 420 F HA -0.125 4.402 4.527 0.000 0.000 0.298 420 F C 2.672 178.409 175.800 -0.105 0.000 1.105 420 F CA 1.252 59.206 58.000 -0.077 0.000 1.239 420 F CB -0.605 38.366 39.000 -0.048 0.000 0.991 420 F HN 0.213 nan 8.300 nan 0.000 0.474 421 Q N -0.104 119.731 119.800 0.058 0.000 2.020 421 Q HA -0.263 4.077 4.340 0.000 0.000 0.202 421 Q C 2.239 178.176 176.000 -0.105 0.000 0.982 421 Q CA 1.846 57.629 55.803 -0.033 0.000 0.838 421 Q CB -0.339 28.368 28.738 -0.051 0.000 0.899 421 Q HN 0.322 nan 8.270 nan 0.000 0.423 422 K N 0.744 121.015 120.400 -0.215 0.000 2.147 422 K HA -0.187 4.133 4.320 0.000 0.000 0.205 422 K C 1.399 177.912 176.600 -0.146 0.000 1.049 422 K CA 1.280 57.432 56.287 -0.225 0.000 0.936 422 K CB 0.161 32.427 32.500 -0.389 0.000 0.722 422 K HN 0.171 nan 8.250 nan 0.000 0.446 423 Q N 0.346 120.061 119.800 -0.142 0.000 2.280 423 Q HA 0.107 4.447 4.340 0.000 0.000 0.202 423 Q C -0.702 175.241 176.000 -0.094 0.000 0.903 423 Q CA -0.230 55.500 55.803 -0.122 0.000 0.948 423 Q CB 0.516 29.157 28.738 -0.162 0.000 1.058 423 Q HN 0.280 nan 8.270 nan 0.000 0.493 424 N N -0.070 118.587 118.700 -0.072 0.000 2.725 424 N HA -0.149 4.591 4.740 0.000 0.000 0.251 424 N C -1.357 174.135 175.510 -0.030 0.000 1.031 424 N CA 0.609 53.630 53.050 -0.048 0.000 0.720 424 N CB -1.339 37.119 38.487 -0.048 0.000 0.930 424 N HN 0.028 nan 8.380 nan 0.000 0.543 425 V N 0.705 120.621 119.914 0.002 0.000 2.417 425 V HA 0.264 4.384 4.120 0.000 0.000 0.291 425 V C 0.858 177.073 176.094 0.201 0.000 1.024 425 V CA -0.683 61.661 62.300 0.074 0.000 0.861 425 V CB 2.054 33.860 31.823 -0.030 0.000 0.985 425 V HN 0.184 nan 8.190 nan 0.000 0.436 426 T N 6.322 120.940 114.554 0.108 0.000 2.934 426 T HA 0.422 4.772 4.350 0.000 0.000 0.306 426 T C -0.233 174.510 174.700 0.073 0.000 1.042 426 T CA 0.869 62.951 62.100 -0.030 0.000 1.145 426 T CB 0.115 68.848 68.868 -0.225 0.000 0.982 426 T HN 0.592 nan 8.240 nan 0.000 0.544 427 I N 2.190 122.708 120.570 -0.087 0.000 2.842 427 I HA 0.496 4.666 4.170 0.000 0.000 0.296 427 I C -1.718 174.355 176.117 -0.074 0.000 1.538 427 I CA -0.917 60.333 61.300 -0.083 0.000 0.994 427 I CB 1.944 39.760 38.000 -0.307 0.000 1.372 427 I HN 0.633 nan 8.210 nan 0.000 0.478 428 M N 5.280 124.903 119.600 0.040 0.000 2.327 428 M HA 0.390 4.870 4.480 0.000 0.000 0.298 428 M C -1.432 174.907 176.300 0.065 0.000 1.065 428 M CA -0.523 54.819 55.300 0.071 0.000 0.916 428 M CB 1.721 34.443 32.600 0.203 0.000 1.630 428 M HN 0.646 nan 8.290 nan 0.000 0.442 429 D N 2.170 122.600 120.400 0.049 0.000 2.357 429 D HA 0.023 4.663 4.640 0.000 0.000 0.242 429 D C 1.138 177.481 176.300 0.072 0.000 1.153 429 D CA -0.038 54.005 54.000 0.073 0.000 0.918 429 D CB 0.545 41.372 40.800 0.045 0.000 1.181 429 D HN 0.696 nan 8.370 nan 0.000 0.435 430 H N 0.191 119.214 119.070 -0.077 0.000 2.491 430 H HA -0.119 4.437 4.556 0.000 0.000 0.290 430 H C 1.034 176.265 175.328 -0.162 0.000 1.050 430 H CA 1.271 57.232 56.048 -0.144 0.000 1.309 430 H CB -0.597 29.023 29.762 -0.236 0.000 1.392 430 H HN 0.547 nan 8.280 nan 0.000 0.554 431 H N 0.960 119.820 119.070 -0.350 0.000 2.307 431 H HA -0.026 4.530 4.556 0.000 0.000 0.303 431 H C 1.927 177.223 175.328 -0.054 0.000 1.073 431 H CA 1.894 57.822 56.048 -0.201 0.000 1.338 431 H CB -0.221 29.394 29.762 -0.246 0.000 1.389 431 H HN 0.370 nan 8.280 nan 0.000 0.503 432 T N 1.287 115.891 114.554 0.084 0.000 2.746 432 T HA -0.112 4.238 4.350 0.000 0.000 0.267 432 T C 2.325 177.089 174.700 0.106 0.000 1.039 432 T CA 1.190 63.339 62.100 0.083 0.000 1.142 432 T CB -0.399 68.509 68.868 0.067 0.000 0.866 432 T HN 0.426 nan 8.240 nan 0.000 0.444 433 A N 1.396 124.281 122.820 0.108 0.000 1.877 433 A HA -0.102 4.218 4.320 0.000 0.000 0.216 433 A C 2.633 180.312 177.584 0.158 0.000 1.186 433 A CA 1.977 54.099 52.037 0.142 0.000 0.620 433 A CB -0.941 18.136 19.000 0.128 0.000 0.822 433 A HN 0.438 nan 8.150 nan 0.000 0.443 434 S N -0.142 115.631 115.700 0.121 0.000 2.359 434 S HA -0.189 4.281 4.470 0.000 0.000 0.224 434 S C 1.852 176.568 174.600 0.193 0.000 1.035 434 S CA 1.622 59.913 58.200 0.151 0.000 1.018 434 S CB -0.379 62.880 63.200 0.097 0.000 0.876 434 S HN 0.708 nan 8.310 nan 0.000 0.448 435 E N 0.863 121.151 120.200 0.147 0.000 2.110 435 E HA -0.120 4.230 4.350 0.000 0.000 0.193 435 E C 2.284 178.961 176.600 0.129 0.000 0.988 435 E CA 1.138 57.614 56.400 0.126 0.000 0.804 435 E CB -0.245 29.511 29.700 0.094 0.000 0.745 435 E HN 0.456 nan 8.360 nan 0.000 0.458 436 S N 0.635 116.424 115.700 0.148 0.000 2.359 436 S HA -0.203 4.267 4.470 0.000 0.000 0.224 436 S C 1.820 176.528 174.600 0.179 0.000 1.035 436 S CA 1.030 59.321 58.200 0.152 0.000 1.018 436 S CB -0.311 62.992 63.200 0.170 0.000 0.876 436 S HN 0.334 nan 8.310 nan 0.000 0.448 437 F N 1.733 121.746 119.950 0.105 0.000 2.186 437 F HA 0.049 4.576 4.527 0.000 0.000 0.299 437 F C 2.136 178.025 175.800 0.149 0.000 1.090 437 F CA 1.384 59.463 58.000 0.132 0.000 1.307 437 F CB -0.330 38.731 39.000 0.101 0.000 1.019 437 F HN 0.190 nan 8.300 nan 0.000 0.489 438 M N 0.233 119.871 119.600 0.062 0.000 2.117 438 M HA -0.190 4.290 4.480 0.000 0.000 0.262 438 M C 2.229 178.472 176.300 -0.094 0.000 1.065 438 M CA 1.594 56.880 55.300 -0.023 0.000 1.114 438 M CB -1.259 31.390 32.600 0.080 0.000 1.361 438 M HN 0.087 nan 8.290 nan 0.000 0.408 439 K N -0.297 120.087 120.400 -0.028 0.000 2.057 439 K HA -0.212 4.108 4.320 0.000 0.000 0.207 439 K C 1.990 178.558 176.600 -0.054 0.000 1.049 439 K CA 1.856 58.130 56.287 -0.021 0.000 0.931 439 K CB -0.633 31.883 32.500 0.026 0.000 0.714 439 K HN 0.394 nan 8.250 nan 0.000 0.440 440 H N -0.143 118.822 119.070 -0.175 0.000 2.321 440 H HA -0.067 4.489 4.556 0.000 0.000 0.300 440 H C 2.026 177.187 175.328 -0.278 0.000 1.087 440 H CA 2.509 58.433 56.048 -0.207 0.000 1.319 440 H CB -0.228 29.390 29.762 -0.240 0.000 1.379 440 H HN 0.280 nan 8.280 nan 0.000 0.501 441 M N -0.077 119.167 119.600 -0.592 0.000 2.108 441 M HA -0.247 4.233 4.480 0.000 0.000 0.261 441 M C 2.508 178.704 176.300 -0.174 0.000 1.066 441 M CA 2.189 57.216 55.300 -0.455 0.000 1.107 441 M CB -0.198 32.155 32.600 -0.412 0.000 1.356 441 M HN 0.558 nan 8.290 nan 0.000 0.406 442 Q N 0.178 119.880 119.800 -0.164 0.000 2.061 442 Q HA -0.232 4.108 4.340 0.000 0.000 0.204 442 Q C 1.470 177.428 176.000 -0.069 0.000 0.984 442 Q CA 1.954 57.704 55.803 -0.089 0.000 0.846 442 Q CB -0.166 28.523 28.738 -0.080 0.000 0.902 442 Q HN 0.591 nan 8.270 nan 0.000 0.421 443 N N 0.565 119.193 118.700 -0.119 0.000 2.120 443 N HA -0.148 4.593 4.740 0.000 0.000 0.188 443 N C 1.622 177.052 175.510 -0.134 0.000 1.024 443 N CA 1.230 54.222 53.050 -0.097 0.000 0.852 443 N CB -0.245 38.203 38.487 -0.064 0.000 1.003 443 N HN 0.321 nan 8.380 nan 0.000 0.424 444 E N 0.232 120.272 120.200 -0.266 0.000 2.051 444 E HA -0.125 4.225 4.350 0.000 0.000 0.192 444 E C 1.874 178.361 176.600 -0.189 0.000 0.991 444 E CA 0.805 57.027 56.400 -0.296 0.000 0.799 444 E CB -0.470 28.944 29.700 -0.477 0.000 0.748 444 E HN 0.478 nan 8.360 nan 0.000 0.449 445 Y N 0.889 121.092 120.300 -0.162 0.000 2.274 445 Y HA -0.123 4.427 4.550 0.000 0.000 0.290 445 Y C 2.621 178.472 175.900 -0.083 0.000 1.145 445 Y CA 1.283 59.326 58.100 -0.095 0.000 1.203 445 Y CB -0.099 38.310 38.460 -0.084 0.000 0.984 445 Y HN -0.039 nan 8.280 nan 0.000 0.533 446 R N -0.402 120.121 120.500 0.039 0.000 2.075 446 R HA -0.066 4.274 4.340 0.000 0.000 0.226 446 R C 2.327 178.613 176.300 -0.023 0.000 1.114 446 R CA 1.012 57.113 56.100 0.002 0.000 0.972 446 R CB -0.268 30.026 30.300 -0.010 0.000 0.869 446 R HN 0.282 nan 8.270 nan 0.000 0.437 447 A N 1.394 124.187 122.820 -0.046 0.000 1.897 447 A HA -0.128 4.192 4.320 0.000 0.000 0.215 447 A C 1.632 179.178 177.584 -0.064 0.000 1.181 447 A CA 1.452 53.460 52.037 -0.047 0.000 0.620 447 A CB -0.078 18.894 19.000 -0.047 0.000 0.821 447 A HN 0.491 nan 8.150 nan 0.000 0.443 448 R N -2.722 117.714 120.500 -0.107 0.000 2.569 448 R HA 0.410 4.750 4.340 0.000 0.000 0.422 448 R C 0.683 176.905 176.300 -0.131 0.000 0.980 448 R CA 0.373 56.410 56.100 -0.107 0.000 1.164 448 R CB -0.642 29.585 30.300 -0.122 0.000 1.520 448 R HN 0.842 nan 8.270 nan 0.000 0.567 449 G N -0.088 108.625 108.800 -0.146 0.000 2.246 449 G HA2 -0.035 3.925 3.960 0.000 0.000 0.273 449 G HA3 -0.035 3.925 3.960 0.000 0.000 0.273 449 G C 0.249 174.896 174.900 -0.421 0.000 1.055 449 G CA 0.132 45.135 45.100 -0.162 0.000 0.851 449 G HN 0.996 nan 8.290 nan 0.000 0.500 450 G N -2.562 105.733 108.800 -0.842 0.000 2.321 450 G HA2 0.558 4.518 3.960 0.000 0.000 0.298 450 G HA3 0.558 4.518 3.960 0.000 0.000 0.298 450 G C -0.820 173.643 174.900 -0.729 0.000 1.385 450 G CA 0.313 44.713 45.100 -1.166 0.000 0.856 450 G HN 1.951 nan 8.290 nan 0.000 0.584 451 C N 2.255 121.323 119.300 -0.386 0.000 3.044 451 C HA 0.621 5.081 4.460 0.000 0.000 0.382 451 C C -2.556 172.386 174.990 -0.081 0.000 1.071 451 C CA -1.102 57.829 59.018 -0.145 0.000 1.296 451 C CB 0.875 28.589 27.740 -0.044 0.000 1.730 451 C HN 0.720 nan 8.230 nan 0.000 0.513 452 P HA 0.356 nan 4.420 nan 0.000 0.263 452 P C -0.535 176.686 177.300 -0.132 0.000 1.195 452 P CA 0.775 63.505 63.100 -0.617 0.000 0.762 452 P CB 0.911 32.157 31.700 -0.757 0.000 0.799 453 A N 2.679 125.491 122.820 -0.013 0.000 2.459 453 A HA 0.394 4.714 4.320 0.000 0.000 0.296 453 A C -1.072 176.593 177.584 0.134 0.000 1.039 453 A CA -0.556 51.553 52.037 0.119 0.000 0.698 453 A CB 1.276 20.453 19.000 0.294 0.000 1.261 453 A HN 0.438 nan 8.150 nan 0.000 0.405 454 D N 2.136 122.600 120.400 0.106 0.000 2.467 454 D HA 0.151 4.791 4.640 0.000 0.000 0.220 454 D C 0.834 177.273 176.300 0.232 0.000 1.103 454 D CA -0.528 53.575 54.000 0.171 0.000 0.886 454 D CB 0.282 41.146 40.800 0.107 0.000 1.025 454 D HN 0.593 nan 8.370 nan 0.000 0.514 455 W N 4.392 125.735 121.300 0.072 0.000 2.305 455 W HA -0.249 4.411 4.660 0.000 0.000 0.308 455 W C 1.717 178.273 176.519 0.061 0.000 1.226 455 W CA 1.361 58.733 57.345 0.045 0.000 1.253 455 W CB -0.102 29.362 29.460 0.007 0.000 1.146 455 W HN 0.479 nan 8.180 nan 0.000 0.507 456 I N -1.203 119.662 120.570 0.492 0.000 2.335 456 I HA -0.305 3.865 4.170 0.000 0.000 0.251 456 I C 1.759 178.000 176.117 0.207 0.000 1.129 456 I CA 1.437 62.968 61.300 0.384 0.000 1.402 456 I CB -0.637 37.597 38.000 0.391 0.000 1.069 456 I HN 0.097 nan 8.210 nan 0.000 0.424 457 W N 0.119 121.415 121.300 -0.007 0.000 2.704 457 W HA 0.145 4.805 4.660 0.000 0.000 0.266 457 W C 2.205 178.631 176.519 -0.156 0.000 1.266 457 W CA 0.230 57.541 57.345 -0.056 0.000 1.377 457 W CB -0.251 29.200 29.460 -0.016 0.000 1.082 457 W HN -0.050 nan 8.180 nan 0.000 0.608 458 L N -0.292 120.915 121.223 -0.026 0.000 2.179 458 L HA -0.008 4.332 4.340 0.000 0.000 0.208 458 L C 0.649 177.335 176.870 -0.306 0.000 1.096 458 L CA 0.361 55.062 54.840 -0.232 0.000 0.779 458 L CB -0.923 40.913 42.059 -0.372 0.000 0.922 458 L HN -0.404 nan 8.230 nan 0.000 0.443 459 V N 1.532 121.180 119.914 -0.443 0.000 2.470 459 V HA 0.114 4.234 4.120 0.000 0.000 0.276 459 V C -1.824 174.105 176.094 -0.275 0.000 1.040 459 V CA -1.295 60.729 62.300 -0.461 0.000 1.008 459 V CB 0.387 31.718 31.823 -0.821 0.000 0.990 459 V HN 0.041 nan 8.190 nan 0.000 0.477 460 P HA 0.069 nan 4.420 nan 0.000 0.267 460 P C -1.748 175.435 177.300 -0.195 0.000 1.201 460 P CA -0.911 62.082 63.100 -0.179 0.000 0.775 460 P CB 0.042 31.668 31.700 -0.124 0.000 0.854 461 P HA -0.055 nan 4.420 nan 0.000 0.234 461 P C -0.069 177.126 177.300 -0.174 0.000 1.167 461 P CA 0.988 63.970 63.100 -0.195 0.000 0.763 461 P CB 0.111 31.684 31.700 -0.211 0.000 0.835 462 V N -5.540 114.250 119.914 -0.207 0.000 3.159 462 V HA 0.588 4.708 4.120 0.000 0.000 0.308 462 V C 0.375 176.420 176.094 -0.083 0.000 1.190 462 V CA -0.510 61.700 62.300 -0.150 0.000 1.037 462 V CB 1.279 32.994 31.823 -0.179 0.000 1.060 462 V HN 0.043 nan 8.190 nan 0.000 0.437 463 S N -0.218 115.470 115.700 -0.020 0.000 3.521 463 S HA -0.205 4.265 4.470 0.000 0.000 0.362 463 S C 1.461 176.044 174.600 -0.029 0.000 1.044 463 S CA 1.453 59.667 58.200 0.023 0.000 1.091 463 S CB -2.243 61.051 63.200 0.158 0.000 0.908 463 S HN 2.619 nan 8.310 nan 0.000 0.473 464 G N 2.784 111.539 108.800 -0.074 0.000 2.764 464 G HA2 -0.333 3.627 3.960 0.000 0.000 0.219 464 G HA3 -0.333 3.627 3.960 0.000 0.000 0.219 464 G C 1.565 176.296 174.900 -0.280 0.000 1.259 464 G CA 2.026 47.074 45.100 -0.086 0.000 0.793 464 G HN 1.819 nan 8.290 nan 0.000 0.633 465 S N 0.114 115.337 115.700 -0.795 0.000 2.603 465 S HA 0.102 4.572 4.470 0.000 0.000 0.229 465 S C 2.027 176.558 174.600 -0.115 0.000 0.972 465 S CA 0.587 58.200 58.200 -0.979 0.000 0.935 465 S CB -0.058 62.420 63.200 -1.203 0.000 0.769 465 S HN 0.227 nan 8.310 nan 0.000 0.536 466 I N 2.838 123.383 120.570 -0.042 0.000 2.928 466 I HA 0.030 4.200 4.170 0.000 0.000 0.266 466 I C 1.402 177.621 176.117 0.169 0.000 1.234 466 I CA 0.682 62.039 61.300 0.094 0.000 1.483 466 I CB -1.857 36.223 38.000 0.134 0.000 1.097 466 I HN 0.497 nan 8.210 nan 0.000 0.455 467 T N -0.782 113.858 114.554 0.144 0.000 2.922 467 T HA 0.304 4.654 4.350 0.000 0.000 0.285 467 T C -1.339 173.518 174.700 0.261 0.000 1.005 467 T CA -1.670 60.531 62.100 0.167 0.000 1.061 467 T CB 2.105 71.020 68.868 0.079 0.000 1.007 467 T HN -0.065 nan 8.240 nan 0.000 0.502 468 P HA -0.040 nan 4.420 nan 0.000 0.219 468 P C 1.712 179.218 177.300 0.344 0.000 1.150 468 P CA 0.418 63.707 63.100 0.316 0.000 0.814 468 P CB -0.110 31.713 31.700 0.206 0.000 0.787 469 V N -0.078 119.983 119.914 0.245 0.000 2.392 469 V HA -0.238 3.882 4.120 0.000 0.000 0.249 469 V C 2.410 178.602 176.094 0.162 0.000 1.059 469 V CA 1.788 64.203 62.300 0.191 0.000 1.051 469 V CB -1.553 30.308 31.823 0.062 0.000 0.658 469 V HN -0.023 nan 8.190 nan 0.000 0.455 470 F N 1.258 121.185 119.950 -0.039 0.000 2.161 470 F HA -0.228 4.299 4.527 0.000 0.000 0.300 470 F C 2.081 178.027 175.800 0.243 0.000 1.089 470 F CA 2.164 60.153 58.000 -0.019 0.000 1.282 470 F CB -0.309 38.572 39.000 -0.199 0.000 1.010 470 F HN 0.371 nan 8.300 nan 0.000 0.485 471 H N -1.565 117.864 119.070 0.598 0.000 2.526 471 H HA 0.176 4.732 4.556 0.000 0.000 0.274 471 H C 0.173 175.751 175.328 0.417 0.000 0.999 471 H CA 0.096 56.441 56.048 0.495 0.000 1.157 471 H CB -0.115 29.912 29.762 0.440 0.000 1.407 471 H HN 0.151 nan 8.280 nan 0.000 0.568 472 Q N 1.865 121.950 119.800 0.475 0.000 2.314 472 Q HA 0.159 4.499 4.340 0.000 0.000 0.259 472 Q C -0.697 175.526 176.000 0.372 0.000 0.951 472 Q CA -0.473 55.551 55.803 0.369 0.000 0.909 472 Q CB 0.673 29.593 28.738 0.303 0.000 1.236 472 Q HN 0.336 nan 8.270 nan 0.000 0.444 473 E N 3.559 123.929 120.200 0.283 0.000 2.392 473 E HA 0.261 4.611 4.350 0.000 0.000 0.264 473 E C -0.514 176.216 176.600 0.216 0.000 1.024 473 E CA 0.314 56.841 56.400 0.211 0.000 0.903 473 E CB 0.784 30.602 29.700 0.197 0.000 0.963 473 E HN 0.603 nan 8.360 nan 0.000 0.432 474 M N 2.074 121.806 119.600 0.221 0.000 2.550 474 M HA 0.363 4.843 4.480 0.000 0.000 0.292 474 M C -1.394 175.042 176.300 0.226 0.000 1.221 474 M CA -1.087 54.369 55.300 0.261 0.000 0.873 474 M CB 1.586 34.387 32.600 0.334 0.000 1.727 474 M HN 0.186 nan 8.290 nan 0.000 0.459 475 L N 2.279 123.666 121.223 0.273 0.000 2.313 475 L HA 0.505 4.845 4.340 0.000 0.000 0.283 475 L C -0.676 176.368 176.870 0.289 0.000 1.013 475 L CA -0.179 54.844 54.840 0.304 0.000 0.816 475 L CB 1.339 43.632 42.059 0.390 0.000 1.236 475 L HN 0.579 nan 8.230 nan 0.000 0.419 476 N N 3.604 122.489 118.700 0.308 0.000 2.424 476 N HA 0.544 5.284 4.740 0.000 0.000 0.271 476 N C -1.551 174.270 175.510 0.519 0.000 0.985 476 N CA -0.181 53.031 53.050 0.270 0.000 0.921 476 N CB 0.641 39.308 38.487 0.299 0.000 1.149 476 N HN 0.393 nan 8.380 nan 0.000 0.492 477 Y N -0.132 120.277 120.300 0.182 0.000 2.609 477 Y HA 0.601 5.151 4.550 0.000 0.000 0.336 477 Y C -1.201 174.520 175.900 -0.300 0.000 1.129 477 Y CA -1.345 56.719 58.100 -0.060 0.000 1.040 477 Y CB 0.605 39.081 38.460 0.027 0.000 1.310 477 Y HN -0.004 nan 8.280 nan 0.000 0.460 478 V N 3.943 123.597 119.914 -0.433 0.000 2.350 478 V HA 0.400 4.520 4.120 0.000 0.000 0.276 478 V C 0.106 175.951 176.094 -0.414 0.000 1.028 478 V CA -0.406 61.455 62.300 -0.731 0.000 0.860 478 V CB 0.467 31.636 31.823 -1.090 0.000 0.990 478 V HN 0.733 nan 8.190 nan 0.000 0.453 479 L N 2.907 123.963 121.223 -0.279 0.000 2.687 479 L HA 0.741 5.081 4.340 0.000 0.000 0.252 479 L C 0.313 177.120 176.870 -0.105 0.000 1.115 479 L CA -0.484 54.302 54.840 -0.090 0.000 0.893 479 L CB 1.548 43.619 42.059 0.021 0.000 1.670 479 L HN 0.610 nan 8.230 nan 0.000 0.531 480 S N -0.842 114.847 115.700 -0.019 0.000 2.546 480 S HA 0.542 5.012 4.470 0.000 0.000 0.272 480 S C -2.682 171.938 174.600 0.034 0.000 1.140 480 S CA -1.092 57.113 58.200 0.008 0.000 0.920 480 S CB 1.829 65.025 63.200 -0.007 0.000 1.083 480 S HN 0.151 nan 8.310 nan 0.000 0.476 481 P HA 0.430 nan 4.420 nan 0.000 0.271 481 P C -1.305 175.945 177.300 -0.084 0.000 1.233 481 P CA -0.049 63.002 63.100 -0.081 0.000 0.789 481 P CB 0.231 31.823 31.700 -0.181 0.000 0.951 482 F N 0.342 120.068 119.950 -0.373 0.000 2.678 482 F HA 0.404 4.931 4.527 0.000 0.000 0.308 482 F C -1.627 173.846 175.800 -0.545 0.000 1.118 482 F CA -0.743 56.945 58.000 -0.519 0.000 0.959 482 F CB 1.143 39.786 39.000 -0.595 0.000 1.305 482 F HN 0.155 nan 8.300 nan 0.000 0.443 483 Y N 4.489 124.253 120.300 -0.893 0.000 2.385 483 Y HA 0.440 4.990 4.550 0.000 0.000 0.341 483 Y C -0.883 174.678 175.900 -0.564 0.000 0.965 483 Y CA -0.733 57.054 58.100 -0.521 0.000 1.180 483 Y CB 0.329 38.490 38.460 -0.499 0.000 1.139 483 Y HN 0.376 nan 8.280 nan 0.000 0.502 484 Y N 1.310 121.651 120.300 0.069 0.000 2.488 484 Y HA 0.402 4.952 4.550 0.000 0.000 0.325 484 Y C -0.271 175.646 175.900 0.028 0.000 1.204 484 Y CA -1.059 57.078 58.100 0.063 0.000 1.229 484 Y CB 0.852 39.401 38.460 0.148 0.000 1.274 484 Y HN 0.404 nan 8.280 nan 0.000 0.493 485 Y N 0.602 121.064 120.300 0.269 0.000 2.295 485 Y HA 0.354 4.904 4.550 0.000 0.000 0.331 485 Y C 0.082 176.044 175.900 0.104 0.000 1.311 485 Y CA -1.036 57.142 58.100 0.130 0.000 1.430 485 Y CB 0.594 39.108 38.460 0.089 0.000 1.339 485 Y HN 0.444 nan 8.280 nan 0.000 0.552 486 Q N 0.407 120.327 119.800 0.201 0.000 2.484 486 Q HA 0.461 4.801 4.340 0.000 0.000 0.285 486 Q C -1.316 174.652 176.000 -0.053 0.000 1.097 486 Q CA -1.202 54.633 55.803 0.053 0.000 0.802 486 Q CB 2.592 31.334 28.738 0.006 0.000 1.444 486 Q HN 0.347 nan 8.270 nan 0.000 0.429 487 I N 2.092 122.595 120.570 -0.112 0.000 2.529 487 I HA 0.021 4.191 4.170 0.000 0.000 0.284 487 I C 0.571 176.469 176.117 -0.365 0.000 1.082 487 I CA 0.059 61.243 61.300 -0.194 0.000 1.406 487 I CB 0.365 38.266 38.000 -0.164 0.000 1.405 487 I HN 0.515 nan 8.210 nan 0.000 0.548 488 E N 8.600 128.477 120.200 -0.539 0.000 2.558 488 E HA -0.062 4.288 4.350 0.000 0.000 0.255 488 E C -1.350 174.596 176.600 -1.090 0.000 0.968 488 E CA -1.077 54.693 56.400 -1.051 0.000 0.939 488 E CB 0.276 29.058 29.700 -1.529 0.000 0.921 488 E HN 0.377 nan 8.360 nan 0.000 0.477 489 P HA -0.194 nan 4.420 nan 0.000 0.216 489 P C 1.213 177.973 177.300 -0.901 0.000 1.150 489 P CA 1.609 64.108 63.100 -1.003 0.000 0.843 489 P CB -0.233 30.585 31.700 -1.471 0.000 0.787 490 W N 0.983 121.799 121.300 -0.808 0.000 2.611 490 W HA 0.110 4.770 4.660 0.000 0.000 0.251 490 W C 1.606 178.114 176.519 -0.017 0.000 1.265 490 W CA 0.497 57.661 57.345 -0.302 0.000 1.295 490 W CB -1.382 28.068 29.460 -0.018 0.000 1.129 490 W HN -0.086 nan 8.180 nan 0.000 0.630 491 K N 0.230 120.486 120.400 -0.241 0.000 2.356 491 K HA 0.058 4.378 4.320 0.000 0.000 0.195 491 K C 1.663 178.235 176.600 -0.047 0.000 1.037 491 K CA 1.478 57.718 56.287 -0.078 0.000 1.014 491 K CB 0.025 32.408 32.500 -0.195 0.000 0.815 491 K HN 0.317 nan 8.250 nan 0.000 0.507 492 T N -3.334 111.160 114.554 -0.100 0.000 3.004 492 T HA 0.044 4.394 4.350 0.000 0.000 0.266 492 T C 0.192 174.880 174.700 -0.021 0.000 0.986 492 T CA -0.394 61.669 62.100 -0.060 0.000 0.902 492 T CB -0.190 68.616 68.868 -0.104 0.000 1.118 492 T HN 0.056 nan 8.240 nan 0.000 0.522 493 H N 1.564 120.576 119.070 -0.097 0.000 2.803 493 H HA 0.459 5.015 4.556 0.000 0.000 0.330 493 H C -0.330 174.944 175.328 -0.090 0.000 1.057 493 H CA -0.660 55.316 56.048 -0.120 0.000 1.458 493 H CB 0.181 29.858 29.762 -0.142 0.000 1.470 493 H HN 0.309 nan 8.280 nan 0.000 0.560 494 I N 6.360 126.471 120.570 -0.766 0.000 2.306 494 I HA 0.054 4.224 4.170 0.000 0.000 0.288 494 I C -0.361 175.351 176.117 -0.674 0.000 1.036 494 I CA -0.525 60.498 61.300 -0.461 0.000 1.221 494 I CB 0.265 38.107 38.000 -0.263 0.000 1.385 494 I HN 0.532 nan 8.210 nan 0.000 0.472 495 W N 5.581 126.734 121.300 -0.244 0.000 2.181 495 W HA 0.138 4.798 4.660 0.000 0.000 0.335 495 W C 1.451 177.947 176.519 -0.038 0.000 1.310 495 W CA -0.149 57.172 57.345 -0.041 0.000 1.226 495 W CB 0.383 29.900 29.460 0.096 0.000 1.155 495 W HN 0.512 nan 8.180 nan 0.000 0.565 496 Q N 1.889 121.827 119.800 0.230 0.000 2.269 496 Q HA 0.051 4.391 4.340 0.000 0.000 0.201 496 Q C 0.918 177.007 176.000 0.149 0.000 0.946 496 Q CA 1.185 57.065 55.803 0.129 0.000 0.877 496 Q CB 0.001 28.795 28.738 0.094 0.000 0.963 496 Q HN 0.681 nan 8.270 nan 0.000 0.472 497 N N 0.000 118.838 118.700 0.229 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.134 53.050 0.140 0.000 0.885 497 N CB 0.000 38.536 38.487 0.081 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667