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 1m8i_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX 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 0.000 176.091 176.000 0.152 0.000 1.003 77 Q CA 0.000 55.758 55.803 -0.076 0.000 1.022 77 Q CB 0.000 28.549 28.738 -0.314 0.000 1.108 78 Y N -2.001 118.425 120.300 0.209 0.000 2.965 78 Y HA 0.893 5.443 4.550 0.000 0.000 0.310 78 Y C -0.396 175.597 175.900 0.156 0.000 1.480 78 Y CA -2.313 55.920 58.100 0.221 0.000 1.094 78 Y CB 0.982 39.568 38.460 0.209 0.000 1.377 78 Y HN 0.356 nan 8.280 nan 0.000 0.514 79 V N 1.971 122.158 119.914 0.455 0.000 2.569 79 V HA 0.446 4.566 4.120 0.000 0.000 0.301 79 V C -0.409 175.739 176.094 0.090 0.000 1.044 79 V CA -1.094 61.308 62.300 0.171 0.000 0.874 79 V CB 1.530 33.249 31.823 -0.173 0.000 1.002 79 V HN 0.680 nan 8.190 nan 0.000 0.424 80 R N 4.366 124.907 120.500 0.067 0.000 2.491 80 R HA 0.445 4.785 4.340 0.000 0.000 0.283 80 R C -0.951 175.279 176.300 -0.116 0.000 1.072 80 R CA -0.192 55.826 56.100 -0.136 0.000 1.048 80 R CB 0.743 30.983 30.300 -0.101 0.000 0.983 80 R HN 0.431 nan 8.270 nan 0.000 0.450 81 I N 3.386 123.845 120.570 -0.185 0.000 2.447 81 I HA 0.247 4.417 4.170 0.000 0.000 0.287 81 I C -0.035 175.965 176.117 -0.195 0.000 1.023 81 I CA -0.586 60.639 61.300 -0.126 0.000 1.083 81 I CB 1.694 39.640 38.000 -0.090 0.000 1.245 81 I HN 0.473 nan 8.210 nan 0.000 0.434 82 K N 4.821 125.121 120.400 -0.166 0.000 2.164 82 K HA 0.372 4.692 4.320 0.000 0.000 0.258 82 K C -0.267 176.191 176.600 -0.237 0.000 0.951 82 K CA -0.532 55.571 56.287 -0.305 0.000 0.844 82 K CB 1.396 33.570 32.500 -0.543 0.000 1.099 82 K HN 0.442 nan 8.250 nan 0.000 0.435 83 N N 4.197 122.746 118.700 -0.252 0.000 2.707 83 N HA 0.103 4.843 4.740 0.000 0.000 0.235 83 N C -0.352 175.112 175.510 -0.078 0.000 1.028 83 N CA -0.575 52.439 53.050 -0.060 0.000 0.906 83 N CB 0.112 38.575 38.487 -0.041 0.000 1.131 83 N HN 0.632 nan 8.380 nan 0.000 0.509 84 W N 1.963 123.310 121.300 0.079 0.000 2.462 84 W HA -0.002 4.658 4.660 0.000 0.000 0.261 84 W C 1.946 178.490 176.519 0.042 0.000 1.210 84 W CA 0.836 58.228 57.345 0.078 0.000 1.175 84 W CB -0.109 29.428 29.460 0.128 0.000 1.137 84 W HN 0.605 nan 8.180 nan 0.000 0.599 85 G N -0.888 108.020 108.800 0.180 0.000 2.486 85 G HA2 -0.133 3.827 3.960 0.000 0.000 0.210 85 G HA3 -0.133 3.827 3.960 0.000 0.000 0.210 85 G C 1.516 176.413 174.900 -0.006 0.000 1.168 85 G CA 0.925 46.034 45.100 0.015 0.000 0.820 85 G HN 0.278 nan 8.290 nan 0.000 0.544 86 S N -0.892 114.804 115.700 -0.006 0.000 2.517 86 S HA 0.370 4.840 4.470 0.000 0.000 0.214 86 S C 1.936 176.496 174.600 -0.068 0.000 0.991 86 S CA 1.080 59.260 58.200 -0.034 0.000 0.906 86 S CB 0.257 63.438 63.200 -0.032 0.000 0.789 86 S HN 1.523 nan 8.310 nan 0.000 0.513 87 G N 1.290 110.027 108.800 -0.105 0.000 2.205 87 G HA2 -0.339 3.621 3.960 0.000 0.000 0.261 87 G HA3 -0.339 3.621 3.960 0.000 0.000 0.261 87 G C -0.095 174.686 174.900 -0.198 0.000 0.980 87 G CA 0.401 45.395 45.100 -0.176 0.000 0.632 87 G HN 0.771 nan 8.290 nan 0.000 0.533 88 E N 0.578 120.682 120.200 -0.160 0.000 2.415 88 E HA 0.373 4.723 4.350 0.000 0.000 0.262 88 E C 0.453 176.921 176.600 -0.220 0.000 1.038 88 E CA -0.319 55.982 56.400 -0.164 0.000 0.921 88 E CB 0.210 29.829 29.700 -0.135 0.000 0.950 88 E HN 0.237 nan 8.360 nan 0.000 0.438 89 I N 4.465 124.903 120.570 -0.220 0.000 2.648 89 I HA 0.414 4.584 4.170 0.000 0.000 0.304 89 I C -0.062 175.860 176.117 -0.324 0.000 1.009 89 I CA -0.701 60.427 61.300 -0.287 0.000 1.114 89 I CB 1.142 38.972 38.000 -0.283 0.000 1.293 89 I HN 0.587 nan 8.210 nan 0.000 0.449 90 L N 3.961 124.928 121.223 -0.427 0.000 2.393 90 L HA 0.464 4.804 4.340 0.000 0.000 0.260 90 L C -0.836 175.738 176.870 -0.494 0.000 1.002 90 L CA -0.754 53.845 54.840 -0.402 0.000 0.818 90 L CB 2.770 44.490 42.059 -0.564 0.000 1.369 90 L HN 0.483 nan 8.230 nan 0.000 0.412 91 H N 1.178 120.187 119.070 -0.103 0.000 2.638 91 H HA 0.193 4.749 4.556 0.000 0.000 0.317 91 H C -1.283 174.084 175.328 0.064 0.000 1.006 91 H CA -0.599 55.316 56.048 -0.221 0.000 1.222 91 H CB 2.147 31.506 29.762 -0.672 0.000 1.419 91 H HN 0.485 nan 8.280 nan 0.000 0.489 92 D N 2.729 123.245 120.400 0.195 0.000 2.316 92 D HA 0.028 4.668 4.640 0.000 0.000 0.245 92 D C 0.850 177.257 176.300 0.179 0.000 1.171 92 D CA 0.030 54.112 54.000 0.136 0.000 0.856 92 D CB 1.232 42.076 40.800 0.074 0.000 1.090 92 D HN 0.645 nan 8.370 nan 0.000 0.476 93 T N 0.967 115.564 114.554 0.071 0.000 2.975 93 T HA -0.022 4.328 4.350 0.000 0.000 0.257 93 T C 1.740 176.330 174.700 -0.182 0.000 1.003 93 T CA -0.291 61.808 62.100 -0.002 0.000 0.932 93 T CB 0.113 69.029 68.868 0.080 0.000 1.087 93 T HN 0.245 nan 8.240 nan 0.000 0.512 94 L N 2.944 124.087 121.223 -0.134 0.000 2.291 94 L HA 0.035 4.375 4.340 0.000 0.000 0.214 94 L C 2.445 179.128 176.870 -0.312 0.000 1.120 94 L CA 1.515 56.269 54.840 -0.142 0.000 0.799 94 L CB -0.784 41.245 42.059 -0.051 0.000 0.925 94 L HN 0.543 nan 8.230 nan 0.000 0.446 95 H N -2.580 116.070 119.070 -0.701 0.000 2.543 95 H HA -0.144 4.412 4.556 0.000 0.000 0.286 95 H C 1.482 176.485 175.328 -0.541 0.000 1.037 95 H CA 1.670 57.036 56.048 -1.136 0.000 1.250 95 H CB -0.999 28.103 29.762 -1.100 0.000 1.373 95 H HN 0.584 nan 8.280 nan 0.000 0.580 96 H N 1.155 119.787 119.070 -0.730 0.000 2.495 96 H HA 0.063 4.619 4.556 0.000 0.000 0.287 96 H C 1.318 176.508 175.328 -0.230 0.000 1.033 96 H CA 0.614 56.383 56.048 -0.466 0.000 1.307 96 H CB 0.380 29.907 29.762 -0.391 0.000 1.401 96 H HN 0.338 nan 8.280 nan 0.000 0.555 97 K N 0.830 121.184 120.400 -0.077 0.000 2.476 97 K HA 0.224 4.544 4.320 0.000 0.000 0.196 97 K C 0.590 177.200 176.600 0.016 0.000 1.025 97 K CA -0.215 56.068 56.287 -0.006 0.000 1.138 97 K CB 0.720 33.231 32.500 0.018 0.000 0.860 97 K HN 0.153 nan 8.250 nan 0.000 0.515 98 A N 0.773 123.586 122.820 -0.012 0.000 2.251 98 A HA 0.234 4.554 4.320 0.000 0.000 0.278 98 A C 0.990 178.586 177.584 0.020 0.000 1.206 98 A CA -0.149 51.908 52.037 0.035 0.000 0.822 98 A CB 0.286 19.309 19.000 0.037 0.000 1.187 98 A HN 0.124 nan 8.150 nan 0.000 0.504 99 T N -0.223 114.337 114.554 0.010 0.000 3.364 99 T HA 0.440 4.790 4.350 0.000 0.000 0.190 99 T C 0.721 175.428 174.700 0.012 0.000 0.798 99 T CA 0.653 62.757 62.100 0.006 0.000 1.773 99 T CB -0.498 68.359 68.868 -0.019 0.000 2.078 99 T HN 1.174 nan 8.240 nan 0.000 0.437 110 L N 6.079 127.324 121.223 0.036 0.000 2.583 110 L HA 0.272 4.612 4.340 0.000 0.000 0.280 110 L C 1.606 178.509 176.870 0.055 0.000 1.261 110 L CA 1.609 56.477 54.840 0.046 0.000 1.164 110 L CB -0.523 41.565 42.059 0.049 0.000 1.402 110 L HN 0.925 nan 8.230 nan 0.000 0.443 111 G N 1.394 110.226 108.800 0.054 0.000 2.752 111 G HA2 -0.142 3.818 3.960 0.000 0.000 0.209 111 G HA3 -0.142 3.818 3.960 0.000 0.000 0.209 111 G C 0.921 175.877 174.900 0.093 0.000 1.392 111 G CA 0.572 45.709 45.100 0.062 0.000 0.873 111 G HN 0.580 nan 8.290 nan 0.000 0.586 112 S N 0.646 116.405 115.700 0.099 0.000 2.667 112 S HA 0.374 4.844 4.470 0.000 0.000 0.251 112 S C 0.357 175.043 174.600 0.144 0.000 1.075 112 S CA -0.618 57.663 58.200 0.135 0.000 1.130 112 S CB -0.220 63.051 63.200 0.118 0.000 0.795 112 S HN 0.128 nan 8.310 nan 0.000 0.462 113 I N 2.291 122.940 120.570 0.132 0.000 2.471 113 I HA 0.157 4.327 4.170 0.000 0.000 0.286 113 I C 1.624 177.847 176.117 0.177 0.000 1.079 113 I CA -0.085 61.293 61.300 0.130 0.000 1.398 113 I CB 0.029 38.089 38.000 0.101 0.000 1.403 113 I HN 0.380 nan 8.210 nan 0.000 0.530 114 M N 4.754 124.468 119.600 0.190 0.000 2.064 114 M HA -0.118 4.362 4.480 0.000 0.000 0.260 114 M C 0.360 176.796 176.300 0.228 0.000 1.073 114 M CA 1.609 57.061 55.300 0.253 0.000 1.124 114 M CB -0.164 32.565 32.600 0.216 0.000 1.326 114 M HN 0.510 nan 8.290 nan 0.000 0.410 115 N N 1.486 120.278 118.700 0.154 0.000 3.112 115 N HA 0.301 5.041 4.740 0.000 0.000 0.270 115 N C -2.438 173.168 175.510 0.161 0.000 1.385 115 N CA -0.820 52.333 53.050 0.170 0.000 0.986 115 N CB 0.258 38.761 38.487 0.026 0.000 1.261 115 N HN 0.260 nan 8.380 nan 0.000 0.495 116 P HA 0.179 nan 4.420 nan 0.000 0.279 116 P C 0.727 178.096 177.300 0.115 0.000 1.239 116 P CA -0.331 62.836 63.100 0.112 0.000 0.789 116 P CB 2.066 33.819 31.700 0.089 0.000 0.933 117 K N 1.352 121.803 120.400 0.085 0.000 2.160 117 K HA -0.151 4.169 4.320 0.000 0.000 0.206 117 K C 2.000 178.649 176.600 0.082 0.000 1.047 117 K CA 2.079 58.412 56.287 0.077 0.000 0.930 117 K CB -0.243 32.286 32.500 0.049 0.000 0.720 117 K HN 0.558 nan 8.250 nan 0.000 0.450 118 S N 0.359 116.099 115.700 0.066 0.000 2.442 118 S HA -0.115 4.355 4.470 0.000 0.000 0.236 118 S C 1.547 176.187 174.600 0.067 0.000 1.007 118 S CA 0.843 59.073 58.200 0.051 0.000 0.965 118 S CB -0.159 63.054 63.200 0.022 0.000 0.773 118 S HN 0.270 nan 8.310 nan 0.000 0.504 119 L N 1.154 122.426 121.223 0.082 0.000 2.667 119 L HA 0.271 4.611 4.340 0.000 0.000 0.232 119 L C -0.155 176.852 176.870 0.227 0.000 1.138 119 L CA 0.054 54.924 54.840 0.050 0.000 0.921 119 L CB 0.150 42.142 42.059 -0.111 0.000 1.180 119 L HN 0.224 nan 8.230 nan 0.000 0.487 120 T N -0.246 114.484 114.554 0.293 0.000 2.829 120 T HA 0.415 4.765 4.350 0.000 0.000 0.280 120 T C -0.468 174.325 174.700 0.156 0.000 0.999 120 T CA -0.466 61.805 62.100 0.285 0.000 0.983 120 T CB 2.341 71.326 68.868 0.196 0.000 0.968 120 T HN -0.075 nan 8.240 nan 0.000 0.446 121 R N 1.987 122.535 120.500 0.080 0.000 2.352 121 R HA 0.586 4.926 4.340 0.000 0.000 0.304 121 R C 0.523 176.792 176.300 -0.050 0.000 1.104 121 R CA -0.377 55.638 56.100 -0.141 0.000 0.991 121 R CB 0.088 30.141 30.300 -0.411 0.000 1.140 121 R HN 0.818 nan 8.270 nan 0.000 0.540 122 G N 3.153 111.925 108.800 -0.048 0.000 2.516 122 G HA2 0.305 4.265 3.960 0.000 0.000 0.276 122 G HA3 0.305 4.265 3.960 0.000 0.000 0.276 122 G C -1.950 172.920 174.900 -0.049 0.000 1.390 122 G CA -0.864 44.211 45.100 -0.042 0.000 1.050 122 G HN 0.580 nan 8.290 nan 0.000 0.519 123 P HA 0.318 nan 4.420 nan 0.000 0.274 123 P C -0.865 176.409 177.300 -0.044 0.000 1.256 123 P CA -0.220 62.853 63.100 -0.044 0.000 0.795 123 P CB 1.001 32.672 31.700 -0.047 0.000 1.038 124 R N -0.053 120.421 120.500 -0.043 0.000 2.594 124 R HA 0.319 4.659 4.340 0.000 0.000 0.265 124 R C -1.149 175.121 176.300 -0.049 0.000 1.070 124 R CA -0.689 55.385 56.100 -0.044 0.000 0.909 124 R CB 0.728 31.002 30.300 -0.044 0.000 1.243 124 R HN 0.301 nan 8.270 nan 0.000 0.455 125 D N 1.638 122.008 120.400 -0.049 0.000 2.501 125 D HA 0.247 4.887 4.640 0.000 0.000 0.226 125 D C -0.658 175.605 176.300 -0.060 0.000 1.198 125 D CA -0.315 53.648 54.000 -0.062 0.000 0.830 125 D CB 0.459 41.225 40.800 -0.056 0.000 1.014 125 D HN 0.469 nan 8.370 nan 0.000 0.496 126 K N 0.302 120.672 120.400 -0.050 0.000 2.523 126 K HA 0.427 4.747 4.320 0.000 0.000 0.257 126 K C -2.945 173.634 176.600 -0.034 0.000 0.932 126 K CA -1.894 54.369 56.287 -0.040 0.000 0.812 126 K CB 2.448 34.931 32.500 -0.028 0.000 1.326 126 K HN -0.181 nan 8.250 nan 0.000 0.433 127 P HA -0.028 nan 4.420 nan 0.000 0.270 127 P C -0.665 176.629 177.300 -0.010 0.000 1.227 127 P CA -0.061 63.029 63.100 -0.016 0.000 0.788 127 P CB 0.313 32.010 31.700 -0.004 0.000 0.926 128 T N 3.242 117.794 114.554 -0.003 0.000 2.751 128 T HA 0.158 4.508 4.350 0.000 0.000 0.290 128 T C -2.120 172.588 174.700 0.014 0.000 0.919 128 T CA -0.730 61.374 62.100 0.008 0.000 1.136 128 T CB -0.716 68.165 68.868 0.022 0.000 0.875 128 T HN 0.285 nan 8.240 nan 0.000 0.532 129 P HA 0.000 nan 4.420 nan 0.000 0.259 129 P C 0.783 178.085 177.300 0.003 0.000 1.163 129 P CA -0.171 62.930 63.100 0.002 0.000 0.760 129 P CB 0.356 32.054 31.700 -0.004 0.000 0.762 130 L N 3.853 125.076 121.223 0.001 0.000 2.137 130 L HA -0.247 4.093 4.340 0.000 0.000 0.213 130 L C 2.351 179.210 176.870 -0.019 0.000 1.085 130 L CA 1.860 56.698 54.840 -0.002 0.000 0.760 130 L CB -1.036 41.021 42.059 -0.003 0.000 0.893 130 L HN 0.515 nan 8.230 nan 0.000 0.434 131 E N -0.313 119.871 120.200 -0.026 0.000 2.204 131 E HA -0.215 4.135 4.350 0.000 0.000 0.194 131 E C 1.595 178.150 176.600 -0.074 0.000 0.989 131 E CA 1.345 57.718 56.400 -0.044 0.000 0.824 131 E CB -0.267 29.410 29.700 -0.038 0.000 0.756 131 E HN 0.642 nan 8.360 nan 0.000 0.477 132 E N 0.526 120.689 120.200 -0.062 0.000 2.057 132 E HA -0.042 4.308 4.350 0.000 0.000 0.190 132 E C 2.205 178.747 176.600 -0.097 0.000 0.969 132 E CA 0.453 56.790 56.400 -0.106 0.000 0.812 132 E CB -0.182 29.511 29.700 -0.011 0.000 0.777 132 E HN 0.099 nan 8.360 nan 0.000 0.455 133 L N 1.781 123.013 121.223 0.016 0.000 1.989 133 L HA -0.185 4.155 4.340 0.000 0.000 0.211 133 L C 2.275 179.165 176.870 0.033 0.000 1.071 133 L CA 1.469 56.357 54.840 0.081 0.000 0.749 133 L CB -0.746 41.366 42.059 0.088 0.000 0.890 133 L HN 0.140 nan 8.230 nan 0.000 0.431 134 L N 0.124 121.331 121.223 -0.027 0.000 2.013 134 L HA -0.136 4.204 4.340 0.000 0.000 0.212 134 L C -0.452 176.387 176.870 -0.051 0.000 1.073 134 L CA 2.276 57.081 54.840 -0.058 0.000 0.753 134 L CB -1.941 40.084 42.059 -0.057 0.000 0.890 134 L HN 0.220 nan 8.230 nan 0.000 0.432 135 P HA -0.106 nan 4.420 nan 0.000 0.215 135 P C 1.341 178.648 177.300 0.012 0.000 1.157 135 P CA 1.408 64.460 63.100 -0.080 0.000 0.859 135 P CB -0.181 31.409 31.700 -0.183 0.000 0.786 136 H N -0.335 118.770 119.070 0.059 0.000 2.352 136 H HA -0.028 4.528 4.556 0.000 0.000 0.299 136 H C 1.949 177.372 175.328 0.159 0.000 1.097 136 H CA 1.574 57.682 56.048 0.101 0.000 1.311 136 H CB -1.085 28.729 29.762 0.087 0.000 1.377 136 H HN 0.034 nan 8.280 nan 0.000 0.504 137 A N 1.370 124.331 122.820 0.235 0.000 1.877 137 A HA -0.134 4.186 4.320 0.000 0.000 0.216 137 A C 2.451 180.135 177.584 0.167 0.000 1.186 137 A CA 1.458 53.592 52.037 0.162 0.000 0.620 137 A CB -0.487 18.366 19.000 -0.246 0.000 0.822 137 A HN 0.206 nan 8.150 nan 0.000 0.443 138 I N 0.149 120.774 120.570 0.092 0.000 2.179 138 I HA -0.217 3.953 4.170 0.000 0.000 0.242 138 I C 2.329 178.542 176.117 0.160 0.000 1.088 138 I CA 1.531 62.889 61.300 0.097 0.000 1.357 138 I CB -1.807 36.222 38.000 0.049 0.000 1.051 138 I HN 0.467 nan 8.210 nan 0.000 0.409 139 E N 0.263 120.574 120.200 0.186 0.000 2.097 139 E HA -0.274 4.076 4.350 0.000 0.000 0.196 139 E C 2.169 178.916 176.600 0.244 0.000 1.000 139 E CA 1.467 57.988 56.400 0.202 0.000 0.804 139 E CB -0.319 29.515 29.700 0.223 0.000 0.740 139 E HN 0.393 nan 8.360 nan 0.000 0.454 140 F N 1.452 121.510 119.950 0.180 0.000 2.146 140 F HA -0.177 4.350 4.527 0.000 0.000 0.298 140 F C 1.963 177.881 175.800 0.197 0.000 1.096 140 F CA 0.997 59.121 58.000 0.208 0.000 1.275 140 F CB -0.021 39.122 39.000 0.239 0.000 1.008 140 F HN -0.060 nan 8.300 nan 0.000 0.480 141 I N 0.684 121.282 120.570 0.047 0.000 2.493 141 I HA -0.261 3.909 4.170 0.000 0.000 0.254 141 I C 1.878 178.001 176.117 0.011 0.000 1.160 141 I CA 1.015 62.316 61.300 0.002 0.000 1.445 141 I CB -1.515 36.586 38.000 0.168 0.000 1.086 141 I HN 0.273 nan 8.210 nan 0.000 0.433 142 N N 0.574 119.312 118.700 0.063 0.000 2.250 142 N HA -0.173 4.567 4.740 0.000 0.000 0.181 142 N C 1.839 177.323 175.510 -0.043 0.000 1.017 142 N CA 0.743 53.833 53.050 0.067 0.000 0.866 142 N CB -0.108 38.479 38.487 0.167 0.000 0.985 142 N HN 0.510 nan 8.380 nan 0.000 0.429 143 Q N 0.098 119.875 119.800 -0.039 0.000 2.020 143 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 143 Q C 2.045 177.906 176.000 -0.231 0.000 0.982 143 Q CA 1.297 57.084 55.803 -0.026 0.000 0.838 143 Q CB -0.228 28.584 28.738 0.124 0.000 0.899 143 Q HN 0.386 nan 8.270 nan 0.000 0.423 144 Y N -0.065 119.827 120.300 -0.679 0.000 2.030 144 Y HA -0.330 4.220 4.550 0.000 0.000 0.274 144 Y C 1.752 177.169 175.900 -0.805 0.000 1.153 144 Y CA 2.240 59.649 58.100 -1.151 0.000 1.115 144 Y CB -0.585 37.145 38.460 -1.216 0.000 0.969 144 Y HN 0.217 nan 8.280 nan 0.000 0.488 145 Y N 0.011 120.031 120.300 -0.467 0.000 2.497 145 Y HA -0.012 4.538 4.550 0.000 0.000 0.292 145 Y C 2.445 178.110 175.900 -0.392 0.000 1.137 145 Y CA 1.082 58.873 58.100 -0.515 0.000 1.285 145 Y CB -0.678 37.332 38.460 -0.750 0.000 0.991 145 Y HN 0.283 nan 8.280 nan 0.000 0.556 146 G N -1.181 107.498 108.800 -0.203 0.000 2.920 146 G HA2 -0.031 3.929 3.960 0.000 0.000 0.208 146 G HA3 -0.031 3.929 3.960 0.000 0.000 0.208 146 G C 0.161 175.025 174.900 -0.060 0.000 1.159 146 G CA 0.406 45.463 45.100 -0.071 0.000 0.784 146 G HN 0.296 nan 8.290 nan 0.000 0.535 147 S N -0.609 115.000 115.700 -0.151 0.000 2.528 147 S HA 0.751 5.221 4.470 0.000 0.000 0.303 147 S C -1.114 173.480 174.600 -0.010 0.000 1.123 147 S CA -0.903 57.255 58.200 -0.071 0.000 1.138 147 S CB 0.734 63.921 63.200 -0.021 0.000 0.984 147 S HN 0.177 nan 8.310 nan 0.000 0.474 148 F N 1.308 121.190 119.950 -0.114 0.000 2.728 148 F HA 0.294 4.821 4.527 0.000 0.000 0.315 148 F C 0.446 176.217 175.800 -0.049 0.000 1.096 148 F CA -0.872 57.070 58.000 -0.096 0.000 0.997 148 F CB 1.153 40.067 39.000 -0.143 0.000 1.252 148 F HN 0.523 nan 8.300 nan 0.000 0.458 149 K N 1.585 122.026 120.400 0.070 0.000 2.002 149 K HA -0.121 4.199 4.320 0.000 0.000 0.209 149 K C 0.190 176.932 176.600 0.237 0.000 1.048 149 K CA 1.770 58.125 56.287 0.112 0.000 0.930 149 K CB -0.052 32.460 32.500 0.020 0.000 0.714 149 K HN 0.641 nan 8.250 nan 0.000 0.438 150 E N 0.459 120.921 120.200 0.438 0.000 2.028 150 E HA 0.265 4.615 4.350 0.000 0.000 0.266 150 E C -1.629 175.019 176.600 0.080 0.000 0.962 150 E CA -0.568 55.953 56.400 0.202 0.000 0.784 150 E CB 1.109 30.892 29.700 0.137 0.000 1.114 150 E HN 0.357 nan 8.360 nan 0.000 0.414 151 A N 5.518 128.380 122.820 0.070 0.000 2.409 151 A HA 0.169 4.489 4.320 0.000 0.000 0.267 151 A C -0.104 177.475 177.584 -0.009 0.000 1.127 151 A CA -0.593 51.459 52.037 0.025 0.000 0.795 151 A CB 0.317 19.357 19.000 0.067 0.000 1.061 151 A HN 0.541 nan 8.150 nan 0.000 0.502 152 K N 4.863 125.243 120.400 -0.032 0.000 2.266 152 K HA 0.291 4.611 4.320 0.000 0.000 0.274 152 K C 0.157 176.762 176.600 0.009 0.000 1.090 152 K CA -0.218 56.056 56.287 -0.023 0.000 0.925 152 K CB 0.491 32.961 32.500 -0.050 0.000 1.225 152 K HN 0.602 nan 8.250 nan 0.000 0.458 153 I N 0.728 121.299 120.570 0.001 0.000 2.179 153 I HA -0.266 3.904 4.170 0.000 0.000 0.242 153 I C 2.376 178.451 176.117 -0.070 0.000 1.088 153 I CA 1.015 62.307 61.300 -0.013 0.000 1.357 153 I CB -0.186 37.796 38.000 -0.030 0.000 1.051 153 I HN 0.611 nan 8.210 nan 0.000 0.409 154 E N 1.516 121.676 120.200 -0.066 0.000 2.033 154 E HA -0.260 4.090 4.350 0.000 0.000 0.199 154 E C 2.067 178.600 176.600 -0.113 0.000 1.011 154 E CA 1.778 58.131 56.400 -0.079 0.000 0.815 154 E CB -0.176 29.493 29.700 -0.052 0.000 0.755 154 E HN 0.524 nan 8.360 nan 0.000 0.451 155 E N -0.658 119.478 120.200 -0.107 0.000 2.130 155 E HA -0.235 4.115 4.350 0.000 0.000 0.196 155 E C 2.164 178.487 176.600 -0.463 0.000 0.998 155 E CA 1.193 57.504 56.400 -0.148 0.000 0.806 155 E CB -0.373 29.334 29.700 0.012 0.000 0.738 155 E HN 0.511 nan 8.360 nan 0.000 0.459 156 H N 0.466 119.067 119.070 -0.780 0.000 2.267 156 H HA -0.132 4.424 4.556 0.000 0.000 0.297 156 H C 2.253 177.274 175.328 -0.510 0.000 1.080 156 H CA 0.919 56.333 56.048 -1.057 0.000 1.278 156 H CB 0.147 29.578 29.762 -0.551 0.000 1.365 156 H HN 0.051 nan 8.280 nan 0.000 0.489 157 L N 0.789 121.844 121.223 -0.279 0.000 2.042 157 L HA -0.187 4.153 4.340 0.000 0.000 0.210 157 L C 2.957 179.737 176.870 -0.149 0.000 1.076 157 L CA 1.623 56.317 54.840 -0.244 0.000 0.749 157 L CB -1.662 40.278 42.059 -0.199 0.000 0.893 157 L HN 0.485 nan 8.230 nan 0.000 0.432 158 A N -0.250 122.490 122.820 -0.134 0.000 1.883 158 A HA -0.267 4.053 4.320 0.000 0.000 0.217 158 A C 2.416 179.967 177.584 -0.055 0.000 1.186 158 A CA 1.907 53.895 52.037 -0.081 0.000 0.624 158 A CB -0.490 18.472 19.000 -0.063 0.000 0.822 158 A HN 0.306 nan 8.150 nan 0.000 0.444 159 R N -0.025 120.428 120.500 -0.079 0.000 2.081 159 R HA -0.009 4.331 4.340 0.000 0.000 0.235 159 R C 1.945 178.261 176.300 0.027 0.000 1.131 159 R CA 1.598 57.707 56.100 0.015 0.000 0.960 159 R CB -0.962 29.397 30.300 0.100 0.000 0.856 159 R HN 0.526 nan 8.270 nan 0.000 0.436 160 L N 0.445 121.672 121.223 0.006 0.000 2.013 160 L HA -0.225 4.115 4.340 0.000 0.000 0.212 160 L C 2.648 179.503 176.870 -0.024 0.000 1.073 160 L CA 1.906 56.750 54.840 0.007 0.000 0.753 160 L CB -0.576 41.469 42.059 -0.023 0.000 0.890 160 L HN 0.382 nan 8.230 nan 0.000 0.432 161 E N 0.224 120.403 120.200 -0.036 0.000 2.051 161 E HA -0.227 4.123 4.350 0.000 0.000 0.192 161 E C 2.149 178.738 176.600 -0.018 0.000 0.991 161 E CA 1.480 57.861 56.400 -0.033 0.000 0.799 161 E CB 0.022 29.700 29.700 -0.037 0.000 0.748 161 E HN 0.445 nan 8.360 nan 0.000 0.449 162 A N 0.637 123.455 122.820 -0.004 0.000 1.972 162 A HA -0.116 4.204 4.320 0.000 0.000 0.219 162 A C 2.527 180.124 177.584 0.021 0.000 1.169 162 A CA 1.447 53.493 52.037 0.015 0.000 0.635 162 A CB -0.544 18.475 19.000 0.032 0.000 0.810 162 A HN 0.193 nan 8.150 nan 0.000 0.446 163 V N 0.534 120.452 119.914 0.007 0.000 2.307 163 V HA -0.229 3.891 4.120 0.000 0.000 0.245 163 V C 2.993 179.032 176.094 -0.092 0.000 1.045 163 V CA 2.437 64.714 62.300 -0.038 0.000 1.024 163 V CB -1.432 30.332 31.823 -0.099 0.000 0.651 163 V HN 0.810 nan 8.190 nan 0.000 0.449 164 T N -0.996 113.511 114.554 -0.078 0.000 2.720 164 T HA -0.313 4.037 4.350 0.000 0.000 0.268 164 T C 1.869 176.547 174.700 -0.037 0.000 1.037 164 T CA 1.867 63.925 62.100 -0.070 0.000 1.144 164 T CB -0.350 68.487 68.868 -0.053 0.000 0.864 164 T HN 0.441 nan 8.240 nan 0.000 0.444 165 K N 1.232 121.620 120.400 -0.019 0.000 2.032 165 K HA -0.184 4.136 4.320 0.000 0.000 0.209 165 K C 2.526 179.133 176.600 0.012 0.000 1.048 165 K CA 1.751 58.037 56.287 -0.003 0.000 0.927 165 K CB -0.220 32.282 32.500 0.003 0.000 0.712 165 K HN 0.565 nan 8.250 nan 0.000 0.441 166 E N 0.452 120.667 120.200 0.025 0.000 2.110 166 E HA -0.186 4.164 4.350 0.000 0.000 0.193 166 E C 1.947 178.582 176.600 0.058 0.000 0.988 166 E CA 1.353 57.786 56.400 0.056 0.000 0.804 166 E CB -0.042 29.718 29.700 0.099 0.000 0.745 166 E HN 0.381 nan 8.360 nan 0.000 0.458 167 I N 0.778 121.366 120.570 0.029 0.000 2.315 167 I HA -0.234 3.936 4.170 0.000 0.000 0.248 167 I C 2.259 178.389 176.117 0.021 0.000 1.117 167 I CA 1.103 62.420 61.300 0.028 0.000 1.404 167 I CB -0.305 37.676 38.000 -0.031 0.000 1.071 167 I HN 0.154 nan 8.210 nan 0.000 0.419 168 E N 0.536 120.741 120.200 0.008 0.000 2.051 168 E HA -0.224 4.126 4.350 0.000 0.000 0.192 168 E C 2.241 178.850 176.600 0.016 0.000 0.991 168 E CA 2.180 58.584 56.400 0.007 0.000 0.799 168 E CB -0.149 29.551 29.700 -0.000 0.000 0.748 168 E HN 0.601 nan 8.360 nan 0.000 0.449 169 T N -1.817 112.750 114.554 0.022 0.000 2.978 169 T HA -0.063 4.287 4.350 0.000 0.000 0.262 169 T C 2.084 176.804 174.700 0.033 0.000 1.063 169 T CA 1.461 63.576 62.100 0.025 0.000 1.140 169 T CB -0.164 68.720 68.868 0.026 0.000 0.886 169 T HN 0.213 nan 8.240 nan 0.000 0.470 170 T N -3.148 111.431 114.554 0.043 0.000 2.969 170 T HA 0.588 4.938 4.350 0.000 0.000 0.250 170 T C 1.850 176.581 174.700 0.052 0.000 1.021 170 T CA 0.822 62.952 62.100 0.051 0.000 1.003 170 T CB 0.183 69.089 68.868 0.064 0.000 1.040 170 T HN 0.826 nan 8.240 nan 0.000 0.492 171 G N 0.872 109.704 108.800 0.053 0.000 3.922 171 G HA2 -0.233 3.728 3.960 0.000 0.000 0.208 171 G HA3 -0.233 3.728 3.960 0.000 0.000 0.208 171 G C 0.381 175.329 174.900 0.079 0.000 1.491 171 G CA 0.344 45.475 45.100 0.051 0.000 1.017 171 G HN 0.862 nan 8.290 nan 0.000 0.603 172 T N 0.283 114.895 114.554 0.096 0.000 2.867 172 T HA 0.692 5.042 4.350 0.000 0.000 0.286 172 T C -0.277 174.572 174.700 0.247 0.000 1.022 172 T CA 0.650 62.840 62.100 0.150 0.000 0.933 172 T CB 1.016 69.924 68.868 0.067 0.000 1.280 172 T HN 1.581 nan 8.240 nan 0.000 0.566 173 Y N -0.827 119.483 120.300 0.016 0.000 2.625 173 Y HA 0.700 5.250 4.550 0.000 0.000 0.338 173 Y C -1.243 174.682 175.900 0.042 0.000 1.123 173 Y CA -1.365 56.756 58.100 0.035 0.000 1.046 173 Y CB 0.935 39.426 38.460 0.051 0.000 1.299 173 Y HN 0.347 nan 8.280 nan 0.000 0.464 174 Q N 2.764 122.585 119.800 0.034 0.000 2.293 174 Q HA 0.472 4.812 4.340 0.000 0.000 0.261 174 Q C -0.863 175.131 176.000 -0.010 0.000 0.960 174 Q CA -0.676 55.100 55.803 -0.045 0.000 0.882 174 Q CB 2.635 31.396 28.738 0.037 0.000 1.275 174 Q HN 0.862 nan 8.270 nan 0.000 0.445 175 L N 1.635 122.822 121.223 -0.060 0.000 2.417 175 L HA 0.266 4.606 4.340 0.000 0.000 0.268 175 L C 1.122 178.020 176.870 0.046 0.000 1.158 175 L CA -0.360 54.500 54.840 0.034 0.000 0.819 175 L CB 0.624 42.716 42.059 0.056 0.000 1.112 175 L HN 0.646 nan 8.230 nan 0.000 0.458 176 T N -0.759 113.813 114.554 0.030 0.000 2.868 176 T HA 0.117 4.467 4.350 0.000 0.000 0.292 176 T C 0.972 175.677 174.700 0.009 0.000 1.028 176 T CA -0.716 61.390 62.100 0.010 0.000 1.059 176 T CB 1.023 69.876 68.868 -0.024 0.000 0.991 176 T HN 0.477 nan 8.240 nan 0.000 0.531 177 L N 0.902 122.135 121.223 0.017 0.000 2.043 177 L HA -0.095 4.245 4.340 0.000 0.000 0.212 177 L C 2.277 179.171 176.870 0.040 0.000 1.075 177 L CA 1.969 56.819 54.840 0.017 0.000 0.752 177 L CB -1.104 40.965 42.059 0.017 0.000 0.891 177 L HN 0.907 nan 8.230 nan 0.000 0.432 178 D N -0.739 119.693 120.400 0.053 0.000 2.123 178 D HA -0.220 4.420 4.640 0.000 0.000 0.196 178 D C 1.893 178.302 176.300 0.182 0.000 0.992 178 D CA 1.579 55.653 54.000 0.124 0.000 0.833 178 D CB 0.233 41.121 40.800 0.147 0.000 0.954 178 D HN 0.579 nan 8.370 nan 0.000 0.455 179 E N 0.104 120.290 120.200 -0.023 0.000 2.077 179 E HA -0.177 4.173 4.350 0.000 0.000 0.193 179 E C 2.126 178.909 176.600 0.305 0.000 0.989 179 E CA 0.331 56.717 56.400 -0.023 0.000 0.800 179 E CB -0.059 29.546 29.700 -0.160 0.000 0.746 179 E HN 0.136 nan 8.360 nan 0.000 0.452 180 L N 1.309 122.621 121.223 0.149 0.000 2.012 180 L HA -0.188 4.152 4.340 0.000 0.000 0.210 180 L C 2.056 178.977 176.870 0.086 0.000 1.073 180 L CA 1.580 56.458 54.840 0.063 0.000 0.748 180 L CB -0.370 41.655 42.059 -0.057 0.000 0.891 180 L HN 0.139 nan 8.230 nan 0.000 0.431 181 I N -1.293 119.342 120.570 0.108 0.000 2.118 181 I HA -0.369 3.801 4.170 0.000 0.000 0.241 181 I C 2.397 178.633 176.117 0.199 0.000 1.070 181 I CA 1.975 63.337 61.300 0.102 0.000 1.327 181 I CB -0.457 37.604 38.000 0.101 0.000 1.034 181 I HN 0.336 nan 8.210 nan 0.000 0.405 182 F N 1.579 121.638 119.950 0.183 0.000 2.161 182 F HA -0.260 4.267 4.527 0.000 0.000 0.300 182 F C 2.419 178.380 175.800 0.268 0.000 1.089 182 F CA 1.472 59.623 58.000 0.251 0.000 1.282 182 F CB -0.289 38.929 39.000 0.364 0.000 1.010 182 F HN 0.019 nan 8.300 nan 0.000 0.485 183 A N 0.092 123.144 122.820 0.387 0.000 1.877 183 A HA -0.227 4.093 4.320 0.000 0.000 0.216 183 A C 2.287 179.855 177.584 -0.027 0.000 1.186 183 A CA 2.652 54.808 52.037 0.198 0.000 0.620 183 A CB -1.674 17.396 19.000 0.116 0.000 0.822 183 A HN 0.538 nan 8.150 nan 0.000 0.443 184 T N -1.619 112.932 114.554 -0.005 0.000 2.788 184 T HA -0.148 4.202 4.350 0.000 0.000 0.268 184 T C 1.785 176.543 174.700 0.096 0.000 1.044 184 T CA 1.668 63.779 62.100 0.017 0.000 1.139 184 T CB -0.326 68.558 68.868 0.026 0.000 0.867 184 T HN 0.551 nan 8.240 nan 0.000 0.454 185 K N 0.196 120.658 120.400 0.103 0.000 2.062 185 K HA 0.109 4.429 4.320 0.000 0.000 0.205 185 K C 2.538 179.223 176.600 0.142 0.000 1.051 185 K CA 1.096 57.534 56.287 0.251 0.000 0.941 185 K CB -0.226 32.423 32.500 0.249 0.000 0.719 185 K HN 0.223 nan 8.250 nan 0.000 0.440 186 M N 0.744 120.259 119.600 -0.142 0.000 2.086 186 M HA -0.106 4.374 4.480 0.000 0.000 0.261 186 M C 2.485 178.653 176.300 -0.221 0.000 1.067 186 M CA 1.565 56.688 55.300 -0.296 0.000 1.116 186 M CB -1.171 31.174 32.600 -0.426 0.000 1.348 186 M HN 0.174 nan 8.290 nan 0.000 0.407 187 A N -0.611 122.051 122.820 -0.263 0.000 1.908 187 A HA -0.228 4.092 4.320 0.000 0.000 0.218 187 A C 2.025 179.390 177.584 -0.365 0.000 1.181 187 A CA 1.753 53.480 52.037 -0.518 0.000 0.627 187 A CB -1.190 17.145 19.000 -1.107 0.000 0.818 187 A HN 0.695 nan 8.150 nan 0.000 0.445 188 W N 0.759 121.914 121.300 -0.242 0.000 2.378 188 W HA -0.110 4.550 4.660 0.000 0.000 0.313 188 W C 2.314 178.745 176.519 -0.146 0.000 1.197 188 W CA 1.478 58.784 57.345 -0.065 0.000 1.304 188 W CB -0.843 28.598 29.460 -0.031 0.000 1.148 188 W HN 0.351 nan 8.180 nan 0.000 0.494 189 R N 0.377 120.798 120.500 -0.131 0.000 2.133 189 R HA -0.209 4.131 4.340 0.000 0.000 0.247 189 R C 1.077 177.222 176.300 -0.257 0.000 1.151 189 R CA 1.888 57.754 56.100 -0.390 0.000 0.971 189 R CB -0.573 29.334 30.300 -0.655 0.000 0.866 189 R HN 0.086 nan 8.270 nan 0.000 0.447 190 N N -0.002 118.578 118.700 -0.200 0.000 2.322 190 N HA 0.079 4.819 4.740 0.000 0.000 0.216 190 N C -0.988 174.414 175.510 -0.180 0.000 1.144 190 N CA 0.399 53.360 53.050 -0.149 0.000 0.830 190 N CB 1.155 39.604 38.487 -0.063 0.000 1.034 190 N HN 0.170 nan 8.380 nan 0.000 0.484 191 A N 1.264 123.985 122.820 -0.165 0.000 2.391 191 A HA 0.393 4.713 4.320 0.000 0.000 0.316 191 A C -1.342 176.163 177.584 -0.133 0.000 1.381 191 A CA -1.204 50.700 52.037 -0.222 0.000 0.998 191 A CB 0.695 19.646 19.000 -0.081 0.000 1.147 191 A HN -0.033 nan 8.150 nan 0.000 0.545 192 P HA -0.158 nan 4.420 nan 0.000 0.216 192 P C 1.177 178.428 177.300 -0.081 0.000 1.150 192 P CA 1.288 64.329 63.100 -0.098 0.000 0.843 192 P CB 0.163 31.802 31.700 -0.102 0.000 0.787 193 R N -2.291 118.119 120.500 -0.150 0.000 2.297 193 R HA 0.125 4.465 4.340 0.000 0.000 0.197 193 R C 0.449 176.771 176.300 0.037 0.000 0.943 193 R CA -0.076 55.980 56.100 -0.074 0.000 1.038 193 R CB -0.506 29.546 30.300 -0.413 0.000 0.957 193 R HN 0.204 nan 8.270 nan 0.000 0.484 194 C N 0.712 120.007 119.300 -0.007 0.000 2.347 194 C HA 0.288 4.748 4.460 0.000 0.000 0.353 194 C C 1.666 176.632 174.990 -0.040 0.000 1.273 194 C CA -0.869 58.170 59.018 0.035 0.000 1.861 194 C CB -0.220 27.607 27.740 0.144 0.000 2.420 194 C HN 0.482 nan 8.230 nan 0.000 0.542 195 I N 4.450 124.963 120.570 -0.096 0.000 3.226 195 I HA 0.240 4.410 4.170 0.000 0.000 0.277 195 I C 2.004 178.147 176.117 0.044 0.000 1.243 195 I CA 1.454 62.632 61.300 -0.204 0.000 1.459 195 I CB 0.097 37.974 38.000 -0.204 0.000 1.093 195 I HN 0.858 nan 8.210 nan 0.000 0.453 196 G N -0.095 108.745 108.800 0.067 0.000 2.920 196 G HA2 -0.066 3.894 3.960 0.000 0.000 0.208 196 G HA3 -0.066 3.894 3.960 0.000 0.000 0.208 196 G C 1.468 176.374 174.900 0.010 0.000 1.159 196 G CA -0.237 44.907 45.100 0.072 0.000 0.784 196 G HN 0.273 nan 8.290 nan 0.000 0.535 197 R N -0.243 120.194 120.500 -0.105 0.000 2.371 197 R HA -0.017 4.323 4.340 0.000 0.000 0.226 197 R C 2.012 177.741 176.300 -0.950 0.000 1.132 197 R CA 0.444 56.160 56.100 -0.639 0.000 1.027 197 R CB -0.290 29.697 30.300 -0.521 0.000 0.848 197 R HN 0.457 nan 8.270 nan 0.000 0.479 198 I N 0.641 120.865 120.570 -0.577 0.000 2.614 198 I HA -0.229 3.941 4.170 0.000 0.000 0.258 198 I C 1.577 177.580 176.117 -0.189 0.000 1.189 198 I CA 1.170 62.295 61.300 -0.290 0.000 1.462 198 I CB 0.141 38.128 38.000 -0.022 0.000 1.092 198 I HN 0.186 nan 8.210 nan 0.000 0.442 199 Q N 0.714 120.339 119.800 -0.292 0.000 2.444 199 Q HA -0.134 4.206 4.340 0.000 0.000 0.206 199 Q C 1.669 177.277 176.000 -0.653 0.000 0.948 199 Q CA 0.612 56.251 55.803 -0.274 0.000 0.946 199 Q CB -0.233 28.491 28.738 -0.024 0.000 1.027 199 Q HN 0.769 nan 8.270 nan 0.000 0.513 200 W N 1.405 121.962 121.300 -1.237 0.000 2.275 200 W HA -0.325 4.335 4.660 0.000 0.000 0.321 200 W C 1.459 177.696 176.519 -0.471 0.000 1.269 200 W CA 1.849 58.351 57.345 -1.404 0.000 1.274 200 W CB -1.553 27.283 29.460 -1.040 0.000 1.141 200 W HN 0.201 nan 8.180 nan 0.000 0.493 201 S N 0.609 115.332 115.700 -1.628 0.000 2.515 201 S HA -0.118 4.352 4.470 0.000 0.000 0.231 201 S C 0.864 175.156 174.600 -0.512 0.000 0.987 201 S CA 0.866 58.289 58.200 -1.295 0.000 0.936 201 S CB -0.714 61.565 63.200 -1.536 0.000 0.766 201 S HN 0.264 nan 8.310 nan 0.000 0.528 202 N N 1.227 119.738 118.700 -0.314 0.000 3.229 202 N HA 0.450 5.190 4.740 0.000 0.000 0.275 202 N C -1.206 174.346 175.510 0.070 0.000 1.225 202 N CA -0.501 52.497 53.050 -0.086 0.000 1.119 202 N CB 0.101 38.570 38.487 -0.030 0.000 1.392 202 N HN 0.406 nan 8.380 nan 0.000 0.520 203 L N 1.239 122.482 121.223 0.033 0.000 2.401 203 L HA 0.576 4.916 4.340 0.000 0.000 0.266 203 L C -0.941 175.870 176.870 -0.097 0.000 0.991 203 L CA -0.730 54.124 54.840 0.024 0.000 0.818 203 L CB 2.083 44.206 42.059 0.107 0.000 1.321 203 L HN 0.226 nan 8.230 nan 0.000 0.413 204 Q N 2.417 122.092 119.800 -0.209 0.000 2.271 204 Q HA 0.666 5.006 4.340 0.000 0.000 0.258 204 Q C -1.817 173.800 176.000 -0.638 0.000 0.936 204 Q CA -0.375 55.162 55.803 -0.443 0.000 0.909 204 Q CB 1.762 30.126 28.738 -0.623 0.000 1.253 204 Q HN 0.535 nan 8.270 nan 0.000 0.440 205 V N 5.530 125.094 119.914 -0.582 0.000 2.384 205 V HA 0.458 4.578 4.120 0.000 0.000 0.287 205 V C -1.001 174.788 176.094 -0.508 0.000 1.020 205 V CA -0.582 61.422 62.300 -0.492 0.000 0.850 205 V CB 0.819 32.499 31.823 -0.239 0.000 0.987 205 V HN 0.663 nan 8.190 nan 0.000 0.436 206 F N 2.683 122.472 119.950 -0.267 0.000 2.332 206 F HA 0.367 4.894 4.527 0.000 0.000 0.368 206 F C 0.471 176.096 175.800 -0.293 0.000 1.110 206 F CA -1.660 56.179 58.000 -0.268 0.000 1.087 206 F CB 0.997 39.827 39.000 -0.283 0.000 1.235 206 F HN 0.451 nan 8.300 nan 0.000 0.470 207 D N 3.312 123.692 120.400 -0.034 0.000 2.435 207 D HA 0.326 4.966 4.640 0.000 0.000 0.230 207 D C 0.315 176.503 176.300 -0.187 0.000 1.215 207 D CA 0.168 54.094 54.000 -0.122 0.000 0.947 207 D CB 0.707 41.470 40.800 -0.061 0.000 1.048 207 D HN 0.561 nan 8.370 nan 0.000 0.512 208 A N 4.507 127.115 122.820 -0.354 0.000 2.708 208 A HA 0.171 4.491 4.320 0.000 0.000 0.293 208 A C 1.657 179.124 177.584 -0.196 0.000 1.303 208 A CA -0.430 51.320 52.037 -0.479 0.000 0.949 208 A CB -0.030 18.369 19.000 -1.002 0.000 1.121 208 A HN 0.510 nan 8.150 nan 0.000 0.542 209 R N -0.034 120.395 120.500 -0.118 0.000 2.280 209 R HA -0.035 4.305 4.340 0.000 0.000 0.207 209 R C 0.760 177.046 176.300 -0.023 0.000 1.043 209 R CA 0.779 56.853 56.100 -0.043 0.000 1.006 209 R CB 0.053 30.361 30.300 0.013 0.000 0.885 209 R HN 0.437 nan 8.270 nan 0.000 0.467 210 N N 0.096 118.794 118.700 -0.004 0.000 2.424 210 N HA -0.060 4.680 4.740 0.000 0.000 0.178 210 N C 0.549 176.093 175.510 0.058 0.000 1.060 210 N CA 0.189 53.262 53.050 0.039 0.000 0.901 210 N CB -0.173 38.349 38.487 0.060 0.000 0.979 210 N HN 0.098 nan 8.380 nan 0.000 0.451 211 C N 1.496 120.819 119.300 0.039 0.000 2.641 211 C HA 0.102 4.562 4.460 0.000 0.000 0.412 211 C C 1.814 176.862 174.990 0.095 0.000 1.312 211 C CA 0.671 59.735 59.018 0.077 0.000 1.838 211 C CB -0.199 27.572 27.740 0.050 0.000 2.682 211 C HN 0.585 nan 8.230 nan 0.000 0.627 212 S N 1.116 116.948 115.700 0.219 0.000 2.617 212 S HA 0.209 4.679 4.470 0.000 0.000 0.278 212 S C 0.116 174.886 174.600 0.283 0.000 1.082 212 S CA 0.374 58.774 58.200 0.334 0.000 1.228 212 S CB -0.082 63.231 63.200 0.189 0.000 1.130 212 S HN 1.043 nan 8.310 nan 0.000 0.621 213 T N -1.341 113.341 114.554 0.213 0.000 2.916 213 T HA 0.859 5.209 4.350 0.000 0.000 0.292 213 T C 1.209 175.980 174.700 0.118 0.000 1.064 213 T CA -0.223 61.957 62.100 0.135 0.000 1.011 213 T CB 1.420 70.348 68.868 0.100 0.000 1.152 213 T HN 0.213 nan 8.240 nan 0.000 0.510 214 A N 0.392 123.266 122.820 0.089 0.000 1.902 214 A HA -0.090 4.230 4.320 0.000 0.000 0.217 214 A C 2.286 179.854 177.584 -0.027 0.000 1.181 214 A CA 2.115 54.193 52.037 0.068 0.000 0.623 214 A CB -1.218 17.910 19.000 0.213 0.000 0.818 214 A HN 0.885 nan 8.150 nan 0.000 0.443 215 Q N 0.067 119.939 119.800 0.120 0.000 2.170 215 Q HA -0.158 4.182 4.340 0.000 0.000 0.203 215 Q C 1.696 177.728 176.000 0.052 0.000 0.976 215 Q CA 2.100 57.971 55.803 0.114 0.000 0.858 215 Q CB -0.297 28.572 28.738 0.219 0.000 0.907 215 Q HN 0.769 nan 8.270 nan 0.000 0.433 216 E N -0.861 119.373 120.200 0.057 0.000 2.216 216 E HA -0.071 4.279 4.350 0.000 0.000 0.192 216 E C 1.847 178.512 176.600 0.109 0.000 0.988 216 E CA 0.695 57.130 56.400 0.059 0.000 0.834 216 E CB -0.018 29.748 29.700 0.110 0.000 0.772 216 E HN 0.439 nan 8.360 nan 0.000 0.479 217 M N -0.028 119.596 119.600 0.038 0.000 2.123 217 M HA -0.108 4.372 4.480 0.000 0.000 0.263 217 M C 2.090 178.416 176.300 0.044 0.000 1.069 217 M CA 1.116 56.400 55.300 -0.028 0.000 1.133 217 M CB -0.128 32.282 32.600 -0.316 0.000 1.356 217 M HN 0.134 nan 8.290 nan 0.000 0.415 218 F N 1.379 121.132 119.950 -0.327 0.000 2.202 218 F HA -0.271 4.256 4.527 0.000 0.000 0.301 218 F C 2.118 177.817 175.800 -0.170 0.000 1.082 218 F CA 1.796 59.546 58.000 -0.415 0.000 1.313 218 F CB -0.339 38.062 39.000 -0.999 0.000 1.024 218 F HN 0.210 nan 8.300 nan 0.000 0.495 219 Q N -1.287 118.339 119.800 -0.290 0.000 2.123 219 Q HA -0.162 4.178 4.340 0.000 0.000 0.199 219 Q C 2.149 177.985 176.000 -0.274 0.000 0.966 219 Q CA 1.300 56.891 55.803 -0.354 0.000 0.845 219 Q CB -0.377 28.214 28.738 -0.245 0.000 0.907 219 Q HN 0.496 nan 8.270 nan 0.000 0.439 220 H N 0.297 119.324 119.070 -0.071 0.000 2.389 220 H HA -0.038 4.518 4.556 0.000 0.000 0.299 220 H C 2.077 177.397 175.328 -0.012 0.000 1.081 220 H CA 1.085 57.120 56.048 -0.021 0.000 1.345 220 H CB 0.094 29.952 29.762 0.160 0.000 1.393 220 H HN 0.244 nan 8.280 nan 0.000 0.520 221 I N -0.184 120.467 120.570 0.136 0.000 2.252 221 I HA -0.279 3.891 4.170 0.000 0.000 0.245 221 I C 2.581 178.676 176.117 -0.038 0.000 1.102 221 I CA 0.706 62.046 61.300 0.068 0.000 1.385 221 I CB -0.175 37.855 38.000 0.050 0.000 1.064 221 I HN 0.218 nan 8.210 nan 0.000 0.414 222 C N 0.243 119.406 119.300 -0.228 0.000 2.429 222 C HA -0.143 4.317 4.460 0.000 0.000 0.277 222 C C 2.948 177.873 174.990 -0.108 0.000 1.262 222 C CA 0.602 59.477 59.018 -0.239 0.000 1.733 222 C CB -1.130 26.341 27.740 -0.448 0.000 2.010 222 C HN 0.446 nan 8.230 nan 0.000 0.483 223 R N 0.200 120.625 120.500 -0.126 0.000 2.096 223 R HA -0.151 4.189 4.340 0.000 0.000 0.235 223 R C 2.006 178.285 176.300 -0.035 0.000 1.127 223 R CA 1.930 57.947 56.100 -0.139 0.000 0.968 223 R CB -0.839 29.304 30.300 -0.262 0.000 0.861 223 R HN 0.767 nan 8.270 nan 0.000 0.440 224 H N -0.046 118.999 119.070 -0.043 0.000 2.270 224 H HA -0.040 4.516 4.556 0.000 0.000 0.299 224 H C 2.288 177.716 175.328 0.166 0.000 1.077 224 H CA 2.319 58.454 56.048 0.144 0.000 1.294 224 H CB -0.136 29.701 29.762 0.124 0.000 1.371 224 H HN 0.115 nan 8.280 nan 0.000 0.491 225 I N 0.068 120.818 120.570 0.299 0.000 2.145 225 I HA -0.292 3.878 4.170 0.000 0.000 0.244 225 I C 2.423 178.630 176.117 0.150 0.000 1.075 225 I CA 1.130 62.540 61.300 0.184 0.000 1.332 225 I CB -0.236 37.799 38.000 0.059 0.000 1.033 225 I HN 0.337 nan 8.210 nan 0.000 0.410 226 L N -0.073 121.214 121.223 0.107 0.000 2.093 226 L HA -0.254 4.086 4.340 0.000 0.000 0.208 226 L C 2.447 179.375 176.870 0.098 0.000 1.085 226 L CA 1.804 56.688 54.840 0.073 0.000 0.755 226 L CB -0.792 41.286 42.059 0.031 0.000 0.904 226 L HN 0.266 nan 8.230 nan 0.000 0.435 227 Y N -0.234 120.103 120.300 0.062 0.000 2.220 227 Y HA -0.094 4.456 4.550 0.000 0.000 0.291 227 Y C 2.336 178.300 175.900 0.106 0.000 1.129 227 Y CA 1.633 59.791 58.100 0.096 0.000 1.161 227 Y CB -0.409 38.167 38.460 0.193 0.000 0.997 227 Y HN 0.201 nan 8.280 nan 0.000 0.522 228 A N -0.431 122.517 122.820 0.214 0.000 1.902 228 A HA -0.164 4.156 4.320 0.000 0.000 0.217 228 A C 2.189 179.802 177.584 0.049 0.000 1.181 228 A CA 2.249 54.376 52.037 0.150 0.000 0.623 228 A CB -1.336 17.851 19.000 0.312 0.000 0.818 228 A HN 0.508 nan 8.150 nan 0.000 0.443 229 T N -0.085 114.509 114.554 0.066 0.000 2.746 229 T HA -0.133 4.217 4.350 0.000 0.000 0.267 229 T C 1.180 175.879 174.700 -0.002 0.000 1.039 229 T CA 1.278 63.410 62.100 0.055 0.000 1.142 229 T CB -0.446 68.460 68.868 0.063 0.000 0.866 229 T HN 0.598 nan 8.240 nan 0.000 0.444 230 N N 1.433 120.096 118.700 -0.061 0.000 2.701 230 N HA -0.252 4.488 4.740 0.000 0.000 0.250 230 N C -0.139 175.343 175.510 -0.047 0.000 1.046 230 N CA 0.930 53.925 53.050 -0.092 0.000 0.733 230 N CB -1.783 36.605 38.487 -0.165 0.000 0.973 230 N HN 0.458 nan 8.380 nan 0.000 0.541 231 N N -1.635 117.052 118.700 -0.021 0.000 2.738 231 N HA -0.180 4.560 4.740 0.000 0.000 0.249 231 N C 0.975 176.476 175.510 -0.014 0.000 1.047 231 N CA 2.253 55.295 53.050 -0.015 0.000 0.707 231 N CB -1.278 37.197 38.487 -0.021 0.000 0.937 231 N HN 1.086 nan 8.380 nan 0.000 0.545 232 G N -0.557 108.245 108.800 0.003 0.000 2.299 232 G HA2 -0.365 3.595 3.960 0.000 0.000 0.237 232 G HA3 -0.365 3.595 3.960 0.000 0.000 0.237 232 G C 0.185 175.090 174.900 0.009 0.000 1.027 232 G CA 0.289 45.397 45.100 0.012 0.000 0.619 232 G HN 0.741 nan 8.290 nan 0.000 0.513 233 N N 2.048 120.736 118.700 -0.021 0.000 3.245 233 N HA 0.304 5.045 4.740 0.000 0.000 0.296 233 N C 0.908 176.401 175.510 -0.027 0.000 1.254 233 N CA -0.585 52.438 53.050 -0.046 0.000 1.190 233 N CB -0.550 37.901 38.487 -0.061 0.000 1.460 233 N HN 0.357 nan 8.380 nan 0.000 0.538 234 I N 1.307 121.897 120.570 0.033 0.000 2.996 234 I HA -0.154 4.016 4.170 0.000 0.000 0.311 234 I C 0.864 177.090 176.117 0.182 0.000 1.219 234 I CA 0.915 62.293 61.300 0.130 0.000 1.452 234 I CB -0.272 37.892 38.000 0.273 0.000 1.319 234 I HN 0.301 nan 8.210 nan 0.000 0.564 235 R N 3.681 124.270 120.500 0.149 0.000 2.561 235 R HA 0.386 4.726 4.340 0.000 0.000 0.297 235 R C -0.502 175.919 176.300 0.203 0.000 0.969 235 R CA -0.671 55.531 56.100 0.169 0.000 0.879 235 R CB 1.941 32.202 30.300 -0.066 0.000 1.178 235 R HN 0.560 nan 8.270 nan 0.000 0.445 236 S N 1.506 117.312 115.700 0.177 0.000 2.531 236 S HA 0.510 4.980 4.470 0.000 0.000 0.279 236 S C -0.367 174.231 174.600 -0.004 0.000 1.305 236 S CA -0.259 57.938 58.200 -0.006 0.000 1.058 236 S CB 1.244 64.353 63.200 -0.152 0.000 0.899 236 S HN 0.688 nan 8.310 nan 0.000 0.493 237 A N 3.039 125.825 122.820 -0.058 0.000 2.606 237 A HA 0.833 5.153 4.320 0.000 0.000 0.293 237 A C -1.317 176.193 177.584 -0.123 0.000 1.082 237 A CA -0.648 51.248 52.037 -0.234 0.000 0.685 237 A CB 1.200 19.962 19.000 -0.395 0.000 1.284 237 A HN 0.782 nan 8.150 nan 0.000 0.408 238 I N 0.320 120.748 120.570 -0.237 0.000 2.722 238 I HA 0.603 4.773 4.170 0.000 0.000 0.295 238 I C -1.144 174.927 176.117 -0.077 0.000 1.161 238 I CA -0.161 61.151 61.300 0.019 0.000 1.032 238 I CB 2.443 40.416 38.000 -0.044 0.000 1.244 238 I HN 0.598 nan 8.210 nan 0.000 0.421 239 T N 6.214 120.794 114.554 0.044 0.000 2.791 239 T HA 0.421 4.771 4.350 0.000 0.000 0.288 239 T C -0.701 173.736 174.700 -0.438 0.000 0.999 239 T CA -0.307 61.698 62.100 -0.158 0.000 0.952 239 T CB 1.309 70.117 68.868 -0.100 0.000 0.938 239 T HN 0.250 nan 8.240 nan 0.000 0.444 240 V N 5.536 125.179 119.914 -0.452 0.000 2.364 240 V HA 0.465 4.585 4.120 0.000 0.000 0.272 240 V C -0.166 175.644 176.094 -0.473 0.000 1.036 240 V CA -0.692 61.346 62.300 -0.436 0.000 0.880 240 V CB 0.079 31.631 31.823 -0.451 0.000 0.991 240 V HN 0.772 nan 8.190 nan 0.000 0.460 241 F N 4.867 124.741 119.950 -0.126 0.000 2.364 241 F HA 0.456 4.983 4.527 0.000 0.000 0.316 241 F C -1.780 173.942 175.800 -0.130 0.000 1.133 241 F CA -2.521 55.338 58.000 -0.236 0.000 1.051 241 F CB 0.718 39.559 39.000 -0.266 0.000 1.342 241 F HN 0.298 nan 8.300 nan 0.000 0.507 242 P HA -0.031 nan 4.420 nan 0.000 0.265 242 P C -1.198 176.223 177.300 0.202 0.000 1.193 242 P CA -0.053 63.053 63.100 0.010 0.000 0.765 242 P CB 0.250 31.859 31.700 -0.152 0.000 0.823 243 Q N 3.228 123.104 119.800 0.127 0.000 2.474 243 Q HA 0.056 4.396 4.340 0.000 0.000 0.256 243 Q C 0.165 176.140 176.000 -0.043 0.000 1.048 243 Q CA -0.428 55.252 55.803 -0.205 0.000 0.922 243 Q CB 0.667 28.999 28.738 -0.677 0.000 1.288 243 Q HN 0.345 nan 8.270 nan 0.000 0.484 244 R N 1.112 121.560 120.500 -0.087 0.000 2.489 244 R HA 0.020 4.360 4.340 0.000 0.000 0.287 244 R C 0.150 176.433 176.300 -0.027 0.000 1.053 244 R CA 0.695 56.793 56.100 -0.003 0.000 1.036 244 R CB 0.575 30.860 30.300 -0.026 0.000 0.966 244 R HN 0.941 nan 8.270 nan 0.000 0.432 245 S N 2.616 118.333 115.700 0.029 0.000 2.612 245 S HA -0.054 4.416 4.470 0.000 0.000 0.193 245 S C 0.937 175.535 174.600 -0.004 0.000 0.898 245 S CA 0.380 58.596 58.200 0.026 0.000 0.872 245 S CB -0.156 63.099 63.200 0.091 0.000 0.843 245 S HN 0.827 nan 8.310 nan 0.000 0.611 246 D N -0.081 120.302 120.400 -0.027 0.000 2.366 246 D HA 0.347 4.987 4.640 0.000 0.000 0.205 246 D C 1.477 177.718 176.300 -0.098 0.000 1.022 246 D CA 0.893 54.848 54.000 -0.075 0.000 0.868 246 D CB -0.143 40.586 40.800 -0.118 0.000 0.953 246 D HN 0.800 nan 8.370 nan 0.000 0.514 247 G N 0.622 109.366 108.800 -0.093 0.000 2.259 247 G HA2 -0.304 3.656 3.960 0.000 0.000 0.217 247 G HA3 -0.304 3.656 3.960 0.000 0.000 0.217 247 G C 1.127 175.965 174.900 -0.102 0.000 1.001 247 G CA 0.226 45.281 45.100 -0.075 0.000 0.627 247 G HN 0.394 nan 8.290 nan 0.000 0.501 248 K N 0.068 120.335 120.400 -0.222 0.000 2.400 248 K HA 0.154 4.474 4.320 0.000 0.000 0.194 248 K C 0.276 176.775 176.600 -0.169 0.000 1.033 248 K CA 0.450 56.591 56.287 -0.243 0.000 1.021 248 K CB 0.133 32.424 32.500 -0.348 0.000 0.808 248 K HN 0.470 nan 8.250 nan 0.000 0.505 249 H N 1.139 120.200 119.070 -0.015 0.000 2.421 249 H HA 0.243 4.799 4.556 0.000 0.000 0.241 249 H C -0.889 174.414 175.328 -0.042 0.000 1.428 249 H CA -0.809 55.212 56.048 -0.046 0.000 1.136 249 H CB -0.300 29.449 29.762 -0.022 0.000 1.612 249 H HN -0.021 nan 8.280 nan 0.000 0.537 250 D N 0.744 121.178 120.400 0.057 0.000 2.308 250 D HA 0.104 4.744 4.640 0.000 0.000 0.251 250 D C 0.002 176.315 176.300 0.021 0.000 1.127 250 D CA -0.127 53.921 54.000 0.079 0.000 0.876 250 D CB 0.832 41.680 40.800 0.081 0.000 1.176 250 D HN 0.128 nan 8.370 nan 0.000 0.446 251 F N 3.085 123.091 119.950 0.094 0.000 2.411 251 F HA 0.322 4.849 4.527 0.000 0.000 0.355 251 F C 0.948 176.804 175.800 0.094 0.000 1.117 251 F CA -0.162 57.872 58.000 0.057 0.000 1.139 251 F CB 0.686 39.717 39.000 0.050 0.000 1.120 251 F HN -0.127 nan 8.300 nan 0.000 0.493 252 R N 4.326 124.967 120.500 0.235 0.000 2.548 252 R HA 0.409 4.749 4.340 0.000 0.000 0.280 252 R C -1.663 174.831 176.300 0.323 0.000 1.061 252 R CA -1.108 55.150 56.100 0.264 0.000 0.915 252 R CB 2.057 32.509 30.300 0.253 0.000 1.210 252 R HN 0.490 nan 8.270 nan 0.000 0.442 253 L N 2.072 123.464 121.223 0.281 0.000 2.290 253 L HA 0.303 4.643 4.340 0.000 0.000 0.284 253 L C 0.759 177.878 176.870 0.415 0.000 1.078 253 L CA -0.012 55.000 54.840 0.287 0.000 0.815 253 L CB 0.505 42.667 42.059 0.172 0.000 1.162 253 L HN 0.570 nan 8.230 nan 0.000 0.435 254 W N 0.788 122.173 121.300 0.142 0.000 3.047 254 W HA 0.072 4.732 4.660 0.000 0.000 0.250 254 W C 0.546 177.229 176.519 0.274 0.000 1.314 254 W CA -0.539 56.975 57.345 0.282 0.000 1.540 254 W CB -0.938 28.747 29.460 0.374 0.000 1.127 254 W HN 0.484 nan 8.180 nan 0.000 0.679 255 N N -0.380 118.465 118.700 0.241 0.000 2.467 255 N HA 0.056 4.796 4.740 0.000 0.000 0.262 255 N C 1.388 176.760 175.510 -0.229 0.000 1.234 255 N CA 0.691 53.603 53.050 -0.229 0.000 0.952 255 N CB 0.886 39.303 38.487 -0.116 0.000 1.158 255 N HN -0.154 nan 8.380 nan 0.000 0.463 256 S N 0.442 115.928 115.700 -0.357 0.000 2.388 256 S HA 0.006 4.476 4.470 0.000 0.000 0.223 256 S C 0.283 174.771 174.600 -0.187 0.000 1.034 256 S CA 0.584 58.657 58.200 -0.212 0.000 0.963 256 S CB -0.034 63.059 63.200 -0.178 0.000 0.827 256 S HN 0.640 nan 8.310 nan 0.000 0.481 257 Q N -0.531 119.150 119.800 -0.198 0.000 2.451 257 Q HA 0.557 4.897 4.340 0.000 0.000 0.281 257 Q C 0.391 176.264 176.000 -0.212 0.000 1.099 257 Q CA -0.606 55.085 55.803 -0.187 0.000 0.806 257 Q CB 1.975 30.653 28.738 -0.100 0.000 1.419 257 Q HN 0.099 nan 8.270 nan 0.000 0.427 258 L N 0.334 121.425 121.223 -0.221 0.000 1.961 258 L HA -0.041 4.299 4.340 0.000 0.000 0.210 258 L C 0.693 177.413 176.870 -0.250 0.000 1.072 258 L CA 1.090 55.810 54.840 -0.200 0.000 0.749 258 L CB -0.049 41.888 42.059 -0.203 0.000 0.889 258 L HN 0.521 nan 8.230 nan 0.000 0.432 259 I N 0.376 120.717 120.570 -0.382 0.000 2.342 259 I HA 0.332 4.502 4.170 0.000 0.000 0.291 259 I C -0.100 175.403 176.117 -1.023 0.000 1.010 259 I CA 0.037 60.931 61.300 -0.678 0.000 1.308 259 I CB 1.057 38.537 38.000 -0.866 0.000 1.400 259 I HN 0.198 nan 8.210 nan 0.000 0.488 260 R N 4.721 124.739 120.500 -0.804 0.000 2.579 260 R HA 0.409 4.749 4.340 0.000 0.000 0.260 260 R C -1.683 174.429 176.300 -0.313 0.000 1.103 260 R CA -0.573 55.205 56.100 -0.537 0.000 0.942 260 R CB 1.104 31.265 30.300 -0.232 0.000 1.251 260 R HN 0.282 nan 8.270 nan 0.000 0.450 261 Y N 1.625 121.936 120.300 0.018 0.000 2.326 261 Y HA 0.542 5.092 4.550 0.000 0.000 0.333 261 Y C 0.975 176.914 175.900 0.065 0.000 1.240 261 Y CA 0.161 58.322 58.100 0.102 0.000 1.365 261 Y CB 1.014 39.631 38.460 0.261 0.000 1.289 261 Y HN 0.732 nan 8.280 nan 0.000 0.548 262 A N 0.925 123.875 122.820 0.217 0.000 2.286 262 A HA 0.757 5.077 4.320 0.000 0.000 0.286 262 A C 0.240 177.660 177.584 -0.275 0.000 1.097 262 A CA 0.091 52.075 52.037 -0.088 0.000 0.821 262 A CB 0.165 19.086 19.000 -0.131 0.000 1.076 262 A HN 0.907 nan 8.150 nan 0.000 0.490 263 G N -0.086 108.411 108.800 -0.505 0.000 2.739 263 G HA2 0.574 4.534 3.960 0.000 0.000 0.291 263 G HA3 0.574 4.534 3.960 0.000 0.000 0.291 263 G C -1.365 173.246 174.900 -0.483 0.000 1.478 263 G CA -0.283 44.573 45.100 -0.406 0.000 1.062 263 G HN 0.523 nan 8.290 nan 0.000 0.532 264 Y N 0.553 120.885 120.300 0.052 0.000 2.468 264 Y HA 0.487 5.037 4.550 0.000 0.000 0.342 264 Y C 0.460 176.413 175.900 0.088 0.000 1.021 264 Y CA -1.227 56.923 58.100 0.084 0.000 1.079 264 Y CB 2.028 40.569 38.460 0.135 0.000 1.226 264 Y HN 0.252 nan 8.280 nan 0.000 0.460 265 Q N 2.854 122.803 119.800 0.248 0.000 2.534 265 Q HA 0.181 4.521 4.340 0.000 0.000 0.223 265 Q C -0.607 175.489 176.000 0.160 0.000 1.239 265 Q CA -0.427 55.470 55.803 0.156 0.000 0.936 265 Q CB 0.346 29.152 28.738 0.114 0.000 1.457 265 Q HN 0.730 nan 8.270 nan 0.000 0.547 266 M N 3.926 123.612 119.600 0.143 0.000 2.252 266 M HA 0.011 4.491 4.480 0.000 0.000 0.321 266 M C -1.435 174.890 176.300 0.042 0.000 1.070 266 M CA -1.125 54.230 55.300 0.092 0.000 1.143 266 M CB 0.205 32.848 32.600 0.072 0.000 1.498 266 M HN 0.245 nan 8.290 nan 0.000 0.445 267 P HA -0.171 nan 4.420 nan 0.000 0.214 267 P C -0.042 177.255 177.300 -0.004 0.000 1.163 267 P CA 1.548 64.639 63.100 -0.014 0.000 0.889 267 P CB -0.246 31.426 31.700 -0.046 0.000 0.790 268 D N -1.466 118.931 120.400 -0.005 0.000 2.490 268 D HA 0.018 4.658 4.640 0.000 0.000 0.255 268 D C 1.324 177.629 176.300 0.009 0.000 1.248 268 D CA 0.792 54.792 54.000 -0.001 0.000 0.887 268 D CB -0.851 39.946 40.800 -0.005 0.000 0.978 268 D HN 0.284 nan 8.370 nan 0.000 0.491 269 G N 1.153 109.962 108.800 0.016 0.000 2.507 269 G HA2 -0.385 3.575 3.960 0.000 0.000 0.240 269 G HA3 -0.385 3.575 3.960 0.000 0.000 0.240 269 G C 0.753 175.669 174.900 0.027 0.000 1.119 269 G CA 0.770 45.883 45.100 0.021 0.000 0.664 269 G HN 0.759 nan 8.290 nan 0.000 0.516 270 T N 0.764 115.333 114.554 0.025 0.000 2.795 270 T HA 0.523 4.873 4.350 0.000 0.000 0.314 270 T C 0.546 175.269 174.700 0.039 0.000 1.069 270 T CA 0.220 62.337 62.100 0.027 0.000 1.071 270 T CB 1.126 70.007 68.868 0.022 0.000 0.988 270 T HN 0.661 nan 8.240 nan 0.000 0.543 271 I N 0.981 121.569 120.570 0.030 0.000 2.460 271 I HA 0.516 4.686 4.170 0.000 0.000 0.298 271 I C 0.419 176.549 176.117 0.021 0.000 0.989 271 I CA -0.847 60.472 61.300 0.033 0.000 1.173 271 I CB 1.544 39.548 38.000 0.006 0.000 1.338 271 I HN 0.804 nan 8.210 nan 0.000 0.456 272 R N 2.349 122.883 120.500 0.057 0.000 2.599 272 R HA 0.620 4.960 4.340 0.000 0.000 0.295 272 R C 0.282 176.573 176.300 -0.015 0.000 0.963 272 R CA 0.312 56.443 56.100 0.050 0.000 0.883 272 R CB 1.727 32.124 30.300 0.161 0.000 1.171 272 R HN 0.955 nan 8.270 nan 0.000 0.450 273 G N 2.774 111.480 108.800 -0.156 0.000 2.498 273 G HA2 -0.284 3.676 3.960 0.000 0.000 0.245 273 G HA3 -0.284 3.676 3.960 0.000 0.000 0.245 273 G C -0.950 173.541 174.900 -0.682 0.000 1.204 273 G CA 0.106 45.037 45.100 -0.282 0.000 0.933 273 G HN 0.646 nan 8.290 nan 0.000 0.574 274 D N 1.956 122.155 120.400 -0.335 0.000 2.422 274 D HA 0.569 5.209 4.640 0.000 0.000 0.227 274 D C 1.574 177.819 176.300 -0.091 0.000 1.190 274 D CA 0.868 54.756 54.000 -0.187 0.000 0.905 274 D CB 0.489 41.503 40.800 0.356 0.000 1.034 274 D HN 0.948 nan 8.370 nan 0.000 0.507 275 A N 3.600 126.341 122.820 -0.131 0.000 2.139 275 A HA -0.124 4.196 4.320 0.000 0.000 0.221 275 A C 2.049 179.642 177.584 0.015 0.000 1.159 275 A CA 1.730 53.740 52.037 -0.046 0.000 0.662 275 A CB -0.186 18.793 19.000 -0.034 0.000 0.796 275 A HN 0.589 nan 8.150 nan 0.000 0.463 276 A N -0.474 122.379 122.820 0.056 0.000 2.014 276 A HA 0.017 4.337 4.320 0.000 0.000 0.218 276 A C 2.122 179.753 177.584 0.078 0.000 1.163 276 A CA 1.879 53.966 52.037 0.084 0.000 0.652 276 A CB -0.871 18.205 19.000 0.127 0.000 0.808 276 A HN 0.782 nan 8.150 nan 0.000 0.449 277 T N -2.445 112.152 114.554 0.071 0.000 3.235 277 T HA 0.325 4.675 4.350 0.000 0.000 0.251 277 T C 1.435 176.157 174.700 0.038 0.000 1.060 277 T CA 0.072 62.212 62.100 0.067 0.000 0.949 277 T CB -0.364 68.547 68.868 0.073 0.000 1.020 277 T HN 0.251 nan 8.240 nan 0.000 0.564 278 L N 0.593 121.824 121.223 0.013 0.000 1.990 278 L HA -0.165 4.175 4.340 0.000 0.000 0.213 278 L C 2.955 179.823 176.870 -0.003 0.000 1.072 278 L CA 2.024 56.860 54.840 -0.007 0.000 0.755 278 L CB -0.390 41.677 42.059 0.013 0.000 0.889 278 L HN 0.376 nan 8.230 nan 0.000 0.432 279 E N -0.889 119.319 120.200 0.013 0.000 2.077 279 E HA -0.265 4.085 4.350 0.000 0.000 0.193 279 E C 1.971 178.503 176.600 -0.113 0.000 0.989 279 E CA 1.346 57.728 56.400 -0.030 0.000 0.800 279 E CB -0.082 29.623 29.700 0.008 0.000 0.746 279 E HN 0.389 nan 8.360 nan 0.000 0.452 280 F N 0.569 120.371 119.950 -0.246 0.000 2.259 280 F HA -0.123 4.404 4.527 0.000 0.000 0.298 280 F C 2.242 177.904 175.800 -0.231 0.000 1.088 280 F CA 1.289 59.092 58.000 -0.327 0.000 1.358 280 F CB -0.240 38.613 39.000 -0.246 0.000 1.040 280 F HN -0.082 nan 8.300 nan 0.000 0.505 281 T N -0.081 114.420 114.554 -0.090 0.000 2.746 281 T HA -0.252 4.098 4.350 0.000 0.000 0.267 281 T C 1.768 176.384 174.700 -0.140 0.000 1.039 281 T CA 1.673 63.673 62.100 -0.165 0.000 1.142 281 T CB -0.292 68.482 68.868 -0.157 0.000 0.866 281 T HN 0.234 nan 8.240 nan 0.000 0.444 282 Q N 0.638 120.377 119.800 -0.102 0.000 2.096 282 Q HA -0.063 4.277 4.340 0.000 0.000 0.204 282 Q C 2.081 178.006 176.000 -0.125 0.000 0.982 282 Q CA 1.327 57.095 55.803 -0.057 0.000 0.850 282 Q CB -0.804 27.907 28.738 -0.044 0.000 0.901 282 Q HN 0.402 nan 8.270 nan 0.000 0.422 283 L N -0.456 120.609 121.223 -0.265 0.000 2.012 283 L HA -0.206 4.134 4.340 0.000 0.000 0.210 283 L C 2.292 178.991 176.870 -0.285 0.000 1.073 283 L CA 1.825 56.487 54.840 -0.298 0.000 0.748 283 L CB -0.954 40.819 42.059 -0.476 0.000 0.891 283 L HN 0.392 nan 8.230 nan 0.000 0.431 284 C N -0.629 118.409 119.300 -0.437 0.000 2.413 284 C HA -0.182 4.278 4.460 0.000 0.000 0.277 284 C C 2.723 177.713 174.990 0.000 0.000 1.265 284 C CA 0.905 59.721 59.018 -0.338 0.000 1.752 284 C CB -0.975 26.396 27.740 -0.615 0.000 1.998 284 C HN 0.555 nan 8.230 nan 0.000 0.489 285 I N 0.963 121.587 120.570 0.090 0.000 2.179 285 I HA -0.185 3.985 4.170 0.000 0.000 0.242 285 I C 2.116 178.262 176.117 0.048 0.000 1.088 285 I CA 1.572 62.966 61.300 0.157 0.000 1.357 285 I CB -0.606 37.481 38.000 0.144 0.000 1.051 285 I HN 0.290 nan 8.210 nan 0.000 0.409 286 D N 0.912 121.305 120.400 -0.012 0.000 2.182 286 D HA -0.131 4.509 4.640 0.000 0.000 0.201 286 D C 1.943 178.207 176.300 -0.060 0.000 0.986 286 D CA 1.241 55.214 54.000 -0.046 0.000 0.847 286 D CB -0.183 40.576 40.800 -0.069 0.000 0.942 286 D HN 0.334 nan 8.370 nan 0.000 0.467 287 L N -0.407 120.785 121.223 -0.051 0.000 2.627 287 L HA 0.236 4.576 4.340 0.000 0.000 0.232 287 L C 0.746 177.596 176.870 -0.033 0.000 1.150 287 L CA -0.013 54.794 54.840 -0.055 0.000 0.917 287 L CB -0.393 41.624 42.059 -0.069 0.000 1.104 287 L HN 0.020 nan 8.230 nan 0.000 0.445 288 G N 0.276 109.077 108.800 0.001 0.000 2.623 288 G HA2 -0.269 3.691 3.960 0.000 0.000 0.281 288 G HA3 -0.269 3.691 3.960 0.000 0.000 0.281 288 G C -1.021 173.933 174.900 0.089 0.000 1.087 288 G CA -0.416 44.693 45.100 0.014 0.000 1.244 288 G HN 0.375 nan 8.290 nan 0.000 0.544 289 W N 3.000 124.248 121.300 -0.086 0.000 2.785 289 W HA 0.703 5.363 4.660 0.000 0.000 0.333 289 W C -0.289 176.199 176.519 -0.051 0.000 1.062 289 W CA -1.670 55.630 57.345 -0.075 0.000 1.233 289 W CB 1.254 30.666 29.460 -0.082 0.000 1.413 289 W HN 0.078 nan 8.180 nan 0.000 0.489 290 K N 7.227 127.203 120.400 -0.707 0.000 2.315 290 K HA 0.180 4.500 4.320 0.000 0.000 0.291 290 K C -2.301 173.595 176.600 -1.173 0.000 1.074 290 K CA -1.543 54.332 56.287 -0.687 0.000 0.936 290 K CB 0.601 32.833 32.500 -0.447 0.000 1.049 290 K HN 0.277 nan 8.250 nan 0.000 0.471 291 P HA 0.200 nan 4.420 nan 0.000 0.275 291 P C -0.209 176.658 177.300 -0.722 0.000 1.276 291 P CA -0.215 62.332 63.100 -0.921 0.000 0.782 291 P CB 0.523 31.779 31.700 -0.740 0.000 0.851 292 R N 2.331 122.514 120.500 -0.528 0.000 2.346 292 R HA 0.068 4.408 4.340 0.000 0.000 0.225 292 R C -0.014 176.184 176.300 -0.170 0.000 0.987 292 R CA -0.375 55.586 56.100 -0.230 0.000 1.106 292 R CB -0.807 29.438 30.300 -0.092 0.000 1.090 292 R HN 0.462 nan 8.270 nan 0.000 0.502 293 Y N 0.008 119.981 120.300 -0.544 0.000 3.027 293 Y HA -0.312 4.238 4.550 0.000 0.000 0.213 293 Y C 0.980 176.772 175.900 -0.179 0.000 1.196 293 Y CA 0.561 58.257 58.100 -0.674 0.000 0.780 293 Y CB -1.367 36.789 38.460 -0.508 0.000 1.183 293 Y HN 0.272 nan 8.280 nan 0.000 0.395 294 G N 0.318 109.209 108.800 0.152 0.000 2.798 294 G HA2 0.578 4.538 3.960 0.000 0.000 0.286 294 G HA3 0.578 4.538 3.960 0.000 0.000 0.286 294 G C 0.204 175.199 174.900 0.159 0.000 1.389 294 G CA -1.138 44.054 45.100 0.154 0.000 0.894 294 G HN 0.276 nan 8.290 nan 0.000 0.488 295 R N -1.307 119.169 120.500 -0.040 0.000 2.161 295 R HA 0.142 4.482 4.340 0.000 0.000 0.213 295 R C -0.062 175.898 176.300 -0.567 0.000 1.055 295 R CA 0.882 56.790 56.100 -0.319 0.000 0.996 295 R CB 0.009 29.964 30.300 -0.575 0.000 0.901 295 R HN 0.325 nan 8.270 nan 0.000 0.456 296 F N 0.737 120.662 119.950 -0.041 0.000 2.623 296 F HA 0.244 4.771 4.527 0.000 0.000 0.361 296 F C -0.850 174.976 175.800 0.042 0.000 1.469 296 F CA -1.386 56.371 58.000 -0.404 0.000 1.126 296 F CB 0.578 39.202 39.000 -0.626 0.000 1.221 296 F HN -0.297 nan 8.300 nan 0.000 0.536 297 D N 1.665 122.289 120.400 0.374 0.000 2.339 297 D HA 0.174 4.814 4.640 0.000 0.000 0.241 297 D C 0.243 176.836 176.300 0.488 0.000 1.183 297 D CA 0.095 54.357 54.000 0.437 0.000 0.859 297 D CB 2.087 43.178 40.800 0.485 0.000 1.067 297 D HN -0.059 nan 8.370 nan 0.000 0.484 298 V N 4.103 124.266 119.914 0.415 0.000 2.493 298 V HA -0.053 4.067 4.120 0.000 0.000 0.292 298 V C 1.170 177.359 176.094 0.158 0.000 1.016 298 V CA -0.110 62.314 62.300 0.207 0.000 1.097 298 V CB -0.101 31.780 31.823 0.096 0.000 0.947 298 V HN 0.349 nan 8.190 nan 0.000 0.479 299 L N 8.379 129.599 121.223 -0.005 0.000 2.476 299 L HA 0.273 4.613 4.340 0.000 0.000 0.264 299 L C -1.680 175.069 176.870 -0.201 0.000 1.224 299 L CA -1.166 53.542 54.840 -0.219 0.000 0.821 299 L CB 0.471 42.438 42.059 -0.153 0.000 1.101 299 L HN 0.479 nan 8.230 nan 0.000 0.488 300 P HA 0.207 nan 4.420 nan 0.000 0.286 300 P C -1.010 176.267 177.300 -0.039 0.000 1.261 300 P CA -0.585 62.386 63.100 -0.214 0.000 0.821 300 P CB 1.082 32.495 31.700 -0.480 0.000 1.013 301 L N 2.145 123.424 121.223 0.093 0.000 2.410 301 L HA 0.156 4.496 4.340 0.000 0.000 0.273 301 L C 0.344 177.321 176.870 0.180 0.000 1.144 301 L CA -0.344 54.595 54.840 0.165 0.000 0.863 301 L CB 0.597 42.799 42.059 0.238 0.000 1.140 301 L HN 0.136 nan 8.230 nan 0.000 0.463 302 V N 6.128 126.161 119.914 0.199 0.000 2.257 302 V HA 0.299 4.419 4.120 0.000 0.000 0.269 302 V C 0.175 176.305 176.094 0.060 0.000 1.040 302 V CA -0.365 61.997 62.300 0.104 0.000 0.813 302 V CB 0.822 32.730 31.823 0.142 0.000 1.065 302 V HN 0.484 nan 8.190 nan 0.000 0.457 303 L N 4.252 125.509 121.223 0.057 0.000 2.307 303 L HA 0.637 4.977 4.340 0.000 0.000 0.282 303 L C -0.018 176.770 176.870 -0.137 0.000 1.051 303 L CA -0.318 54.525 54.840 0.005 0.000 0.804 303 L CB 1.389 43.461 42.059 0.023 0.000 1.197 303 L HN 0.591 nan 8.230 nan 0.000 0.431 304 Q N 2.675 122.396 119.800 -0.132 0.000 2.331 304 Q HA 0.740 5.080 4.340 0.000 0.000 0.267 304 Q C -1.550 174.357 176.000 -0.155 0.000 1.006 304 Q CA -0.624 55.069 55.803 -0.185 0.000 0.818 304 Q CB 2.220 30.901 28.738 -0.095 0.000 1.276 304 Q HN 0.799 nan 8.270 nan 0.000 0.450 305 A N 3.513 126.175 122.820 -0.264 0.000 2.371 305 A HA 0.453 4.773 4.320 0.000 0.000 0.311 305 A C -0.437 176.672 177.584 -0.792 0.000 1.068 305 A CA -0.273 51.401 52.037 -0.606 0.000 0.744 305 A CB 1.264 20.126 19.000 -0.230 0.000 1.239 305 A HN 1.017 nan 8.150 nan 0.000 0.435 306 D N 1.151 120.609 120.400 -1.569 0.000 2.692 306 D HA -0.114 4.526 4.640 0.000 0.000 0.233 306 D C 1.333 177.460 176.300 -0.289 0.000 1.172 306 D CA 2.812 56.347 54.000 -0.775 0.000 0.636 306 D CB -1.002 39.529 40.800 -0.449 0.000 1.028 306 D HN 2.120 nan 8.370 nan 0.000 0.419 307 G N -0.972 107.708 108.800 -0.200 0.000 2.245 307 G HA2 -0.437 3.523 3.960 0.000 0.000 0.264 307 G HA3 -0.437 3.523 3.960 0.000 0.000 0.264 307 G C 0.563 175.481 174.900 0.030 0.000 0.985 307 G CA 0.895 46.001 45.100 0.010 0.000 0.625 307 G HN 0.633 nan 8.290 nan 0.000 0.536 308 Q N 1.098 120.859 119.800 -0.064 0.000 2.967 308 Q HA 0.405 4.745 4.340 0.000 0.000 0.201 308 Q C 0.562 176.552 176.000 -0.016 0.000 1.148 308 Q CA 0.396 56.180 55.803 -0.032 0.000 1.177 308 Q CB 0.282 28.976 28.738 -0.074 0.000 1.323 308 Q HN 0.432 nan 8.270 nan 0.000 0.676 309 D N 1.337 121.726 120.400 -0.019 0.000 2.341 309 D HA 0.155 4.795 4.640 0.000 0.000 0.245 309 D C -2.166 173.978 176.300 -0.260 0.000 1.106 309 D CA -1.104 52.841 54.000 -0.092 0.000 0.905 309 D CB 0.386 41.239 40.800 0.088 0.000 1.202 309 D HN 0.299 nan 8.370 nan 0.000 0.426 310 P HA 0.098 nan 4.420 nan 0.000 0.271 310 P C -0.678 176.432 177.300 -0.316 0.000 1.226 310 P CA 0.046 62.760 63.100 -0.643 0.000 0.765 310 P CB 0.919 31.767 31.700 -1.420 0.000 0.835 311 E N 1.472 121.570 120.200 -0.171 0.000 2.179 311 E HA 0.356 4.706 4.350 0.000 0.000 0.275 311 E C -0.399 176.095 176.600 -0.178 0.000 0.945 311 E CA -1.159 55.145 56.400 -0.161 0.000 0.792 311 E CB 1.779 31.425 29.700 -0.090 0.000 1.125 311 E HN 0.205 nan 8.360 nan 0.000 0.397 312 V N 3.378 123.078 119.914 -0.358 0.000 2.607 312 V HA 0.372 4.492 4.120 0.000 0.000 0.289 312 V C -0.518 175.216 176.094 -0.600 0.000 1.053 312 V CA -0.223 61.907 62.300 -0.283 0.000 0.996 312 V CB 0.153 31.858 31.823 -0.197 0.000 0.995 312 V HN 0.519 nan 8.190 nan 0.000 0.476 313 F N 1.122 120.938 119.950 -0.223 0.000 2.573 313 F HA 0.416 4.943 4.527 0.000 0.000 0.316 313 F C 0.213 175.898 175.800 -0.191 0.000 1.148 313 F CA -0.685 57.070 58.000 -0.408 0.000 0.940 313 F CB 1.651 40.083 39.000 -0.947 0.000 1.214 313 F HN 0.422 nan 8.300 nan 0.000 0.448 314 E N 3.797 124.034 120.200 0.063 0.000 2.289 314 E HA 0.357 4.707 4.350 0.000 0.000 0.278 314 E C -0.410 176.356 176.600 0.278 0.000 1.032 314 E CA -0.456 56.062 56.400 0.196 0.000 0.854 314 E CB 1.462 31.299 29.700 0.229 0.000 1.046 314 E HN 0.456 nan 8.360 nan 0.000 0.409 315 I N 5.032 125.767 120.570 0.275 0.000 2.533 315 I HA 0.058 4.228 4.170 0.000 0.000 0.284 315 I C -2.006 174.245 176.117 0.224 0.000 1.109 315 I CA -1.910 59.562 61.300 0.287 0.000 1.412 315 I CB 0.061 38.156 38.000 0.158 0.000 1.396 315 I HN 0.186 nan 8.210 nan 0.000 0.543 316 P HA 0.031 nan 4.420 nan 0.000 0.257 316 P C -1.968 175.398 177.300 0.110 0.000 1.189 316 P CA -0.712 62.482 63.100 0.158 0.000 0.780 316 P CB 0.120 31.895 31.700 0.125 0.000 0.772 317 P HA -0.239 nan 4.420 nan 0.000 0.217 317 P C 0.875 178.215 177.300 0.068 0.000 1.151 317 P CA 1.462 64.615 63.100 0.090 0.000 0.849 317 P CB -0.061 31.694 31.700 0.091 0.000 0.787 318 D N -0.982 119.454 120.400 0.059 0.000 2.218 318 D HA -0.108 4.532 4.640 0.000 0.000 0.204 318 D C 1.909 178.231 176.300 0.037 0.000 0.976 318 D CA 0.969 54.995 54.000 0.043 0.000 0.853 318 D CB -0.212 40.610 40.800 0.037 0.000 0.939 318 D HN 0.266 nan 8.370 nan 0.000 0.481 319 L N 0.787 122.034 121.223 0.041 0.000 2.131 319 L HA -0.035 4.305 4.340 0.000 0.000 0.206 319 L C 0.938 177.829 176.870 0.035 0.000 1.087 319 L CA 0.368 55.227 54.840 0.032 0.000 0.767 319 L CB 0.005 42.078 42.059 0.024 0.000 0.917 319 L HN -0.192 nan 8.230 nan 0.000 0.441 320 V N 2.566 122.502 119.914 0.037 0.000 2.397 320 V HA 0.034 4.155 4.120 0.000 0.000 0.262 320 V C 0.080 176.201 176.094 0.044 0.000 1.047 320 V CA -0.258 62.060 62.300 0.030 0.000 1.003 320 V CB 0.700 32.534 31.823 0.019 0.000 1.037 320 V HN 0.058 nan 8.190 nan 0.000 0.480 321 L N 6.426 127.679 121.223 0.051 0.000 2.292 321 L HA 0.547 4.887 4.340 0.000 0.000 0.284 321 L C 0.029 176.926 176.870 0.044 0.000 1.065 321 L CA 0.441 55.304 54.840 0.039 0.000 0.806 321 L CB 0.939 43.020 42.059 0.036 0.000 1.175 321 L HN 0.687 nan 8.230 nan 0.000 0.431 322 E N 2.996 123.199 120.200 0.005 0.000 2.336 322 E HA 0.639 4.989 4.350 0.000 0.000 0.267 322 E C -1.478 175.042 176.600 -0.132 0.000 0.906 322 E CA -1.021 55.366 56.400 -0.023 0.000 0.781 322 E CB 2.505 32.217 29.700 0.020 0.000 1.261 322 E HN 0.392 nan 8.360 nan 0.000 0.436 323 V N 1.539 121.322 119.914 -0.219 0.000 2.495 323 V HA 0.294 4.414 4.120 0.000 0.000 0.298 323 V C -0.387 175.608 176.094 -0.165 0.000 1.031 323 V CA -0.725 61.382 62.300 -0.322 0.000 0.871 323 V CB 1.928 33.275 31.823 -0.793 0.000 0.988 323 V HN 0.708 nan 8.190 nan 0.000 0.432 324 T N 6.220 120.707 114.554 -0.111 0.000 2.780 324 T HA 0.388 4.738 4.350 0.000 0.000 0.294 324 T C 0.153 174.870 174.700 0.029 0.000 0.949 324 T CA -0.557 61.522 62.100 -0.036 0.000 1.074 324 T CB 0.582 69.440 68.868 -0.017 0.000 0.910 324 T HN 0.340 nan 8.240 nan 0.000 0.501 325 M N 3.339 123.005 119.600 0.111 0.000 2.239 325 M HA 0.301 4.781 4.480 0.000 0.000 0.348 325 M C 0.388 176.869 176.300 0.300 0.000 1.239 325 M CA 0.094 55.544 55.300 0.251 0.000 1.114 325 M CB -0.384 32.458 32.600 0.403 0.000 1.641 325 M HN 0.691 nan 8.290 nan 0.000 0.453 326 E N 1.460 121.812 120.200 0.254 0.000 2.307 326 E HA 0.182 4.532 4.350 0.000 0.000 0.280 326 E C -1.476 175.171 176.600 0.079 0.000 0.900 326 E CA -0.448 56.089 56.400 0.230 0.000 0.790 326 E CB 1.454 31.246 29.700 0.153 0.000 1.261 326 E HN 0.640 nan 8.360 nan 0.000 0.405 327 H N 5.289 124.261 119.070 -0.164 0.000 2.525 327 H HA 0.250 4.806 4.556 0.000 0.000 0.339 327 H C -1.813 173.270 175.328 -0.408 0.000 1.109 327 H CA -1.918 53.847 56.048 -0.471 0.000 1.352 327 H CB 1.764 31.117 29.762 -0.682 0.000 1.461 327 H HN 0.400 nan 8.280 nan 0.000 0.533 328 P HA -0.006 nan 4.420 nan 0.000 0.242 328 P C 0.361 177.562 177.300 -0.167 0.000 1.197 328 P CA 0.708 63.433 63.100 -0.626 0.000 0.765 328 P CB 0.768 31.850 31.700 -1.031 0.000 0.936 329 K N -1.580 118.871 120.400 0.086 0.000 2.550 329 K HA 0.146 4.466 4.320 0.000 0.000 0.205 329 K C 0.614 177.261 176.600 0.078 0.000 1.429 329 K CA 0.207 56.498 56.287 0.006 0.000 0.997 329 K CB 0.325 32.787 32.500 -0.063 0.000 1.328 329 K HN 0.270 nan 8.250 nan 0.000 0.546 330 Y N 2.811 122.887 120.300 -0.372 0.000 2.650 330 Y HA 0.178 4.728 4.550 0.000 0.000 0.343 330 Y C 1.004 176.622 175.900 -0.471 0.000 1.078 330 Y CA -0.483 57.230 58.100 -0.646 0.000 1.356 330 Y CB 0.441 38.096 38.460 -1.342 0.000 1.204 330 Y HN 0.022 nan 8.280 nan 0.000 0.508 331 E N 3.134 123.312 120.200 -0.036 0.000 2.401 331 E HA -0.180 4.170 4.350 0.000 0.000 0.199 331 E C 1.288 177.943 176.600 0.092 0.000 1.023 331 E CA 0.818 57.245 56.400 0.046 0.000 0.859 331 E CB 0.026 29.782 29.700 0.094 0.000 0.780 331 E HN 0.822 nan 8.360 nan 0.000 0.523 332 W N -0.654 120.732 121.300 0.144 0.000 3.047 332 W HA 0.068 4.728 4.660 0.000 0.000 0.250 332 W C 1.169 177.759 176.519 0.120 0.000 1.314 332 W CA -0.381 57.017 57.345 0.090 0.000 1.540 332 W CB -0.734 28.737 29.460 0.019 0.000 1.127 332 W HN -0.060 nan 8.180 nan 0.000 0.679 333 F N 3.714 123.479 119.950 -0.308 0.000 2.102 333 F HA -0.269 4.258 4.527 0.000 0.000 0.298 333 F C 2.886 178.696 175.800 0.016 0.000 1.105 333 F CA 2.916 60.788 58.000 -0.213 0.000 1.239 333 F CB -0.340 38.494 39.000 -0.277 0.000 0.991 333 F HN -0.163 nan 8.300 nan 0.000 0.474 334 Q N 0.288 120.189 119.800 0.170 0.000 2.181 334 Q HA -0.254 4.086 4.340 0.000 0.000 0.205 334 Q C 1.661 177.696 176.000 0.058 0.000 0.980 334 Q CA 1.843 57.717 55.803 0.119 0.000 0.862 334 Q CB -1.195 27.616 28.738 0.122 0.000 0.905 334 Q HN 0.559 nan 8.270 nan 0.000 0.429 335 E N 0.847 121.095 120.200 0.080 0.000 2.333 335 E HA -0.067 4.283 4.350 0.000 0.000 0.198 335 E C 1.906 178.524 176.600 0.031 0.000 1.007 335 E CA 0.456 56.902 56.400 0.076 0.000 0.845 335 E CB -0.158 29.618 29.700 0.127 0.000 0.766 335 E HN 0.376 nan 8.360 nan 0.000 0.507 336 L N -0.349 120.848 121.223 -0.044 0.000 2.478 336 L HA 0.036 4.376 4.340 0.000 0.000 0.223 336 L C 1.428 178.270 176.870 -0.046 0.000 1.140 336 L CA 0.383 55.160 54.840 -0.105 0.000 0.842 336 L CB -0.339 41.515 42.059 -0.342 0.000 0.953 336 L HN 0.210 nan 8.230 nan 0.000 0.452 337 G N 1.147 109.946 108.800 -0.002 0.000 2.305 337 G HA2 -0.284 3.676 3.960 0.000 0.000 0.287 337 G HA3 -0.284 3.676 3.960 0.000 0.000 0.287 337 G C 0.057 175.052 174.900 0.158 0.000 1.036 337 G CA 0.093 45.238 45.100 0.074 0.000 0.887 337 G HN 0.250 nan 8.290 nan 0.000 0.505 338 L N -0.871 120.392 121.223 0.067 0.000 2.399 338 L HA 0.840 5.180 4.340 0.000 0.000 0.265 338 L C 0.640 177.487 176.870 -0.040 0.000 1.089 338 L CA -0.472 54.417 54.840 0.081 0.000 0.802 338 L CB 1.648 43.606 42.059 -0.168 0.000 1.180 338 L HN 0.557 nan 8.230 nan 0.000 0.454 339 K N 0.056 120.281 120.400 -0.292 0.000 2.711 339 K HA 0.440 4.760 4.320 0.000 0.000 0.294 339 K C -2.129 174.338 176.600 -0.222 0.000 1.037 339 K CA -1.085 55.042 56.287 -0.266 0.000 0.858 339 K CB 1.666 33.951 32.500 -0.358 0.000 1.521 339 K HN 0.566 nan 8.250 nan 0.000 0.386 340 W N 2.118 123.302 121.300 -0.193 0.000 3.213 340 W HA 0.351 5.011 4.660 0.000 0.000 0.318 340 W C -1.259 175.230 176.519 -0.051 0.000 1.248 340 W CA -0.809 56.487 57.345 -0.081 0.000 1.187 340 W CB 1.575 30.882 29.460 -0.255 0.000 1.403 340 W HN 0.700 nan 8.180 nan 0.000 0.556 341 Y N 1.116 121.238 120.300 -0.296 0.000 2.397 341 Y HA 0.493 5.043 4.550 0.000 0.000 0.335 341 Y C 0.774 176.828 175.900 0.256 0.000 1.213 341 Y CA 0.142 58.181 58.100 -0.102 0.000 1.391 341 Y CB 0.220 38.504 38.460 -0.292 0.000 1.293 341 Y HN 0.344 nan 8.280 nan 0.000 0.557 342 A N 2.613 125.659 122.820 0.378 0.000 2.218 342 A HA 0.173 4.493 4.320 0.000 0.000 0.209 342 A C 0.191 178.131 177.584 0.594 0.000 1.168 342 A CA 0.033 52.380 52.037 0.517 0.000 0.804 342 A CB -0.275 18.893 19.000 0.280 0.000 0.834 342 A HN 0.641 nan 8.150 nan 0.000 0.482 343 L N 1.862 123.415 121.223 0.550 0.000 2.277 343 L HA 0.422 4.762 4.340 0.000 0.000 0.284 343 L C -2.586 174.478 176.870 0.322 0.000 1.028 343 L CA -2.090 52.967 54.840 0.361 0.000 0.835 343 L CB 1.766 43.946 42.059 0.203 0.000 1.215 343 L HN -0.058 nan 8.230 nan 0.000 0.425 344 P HA 0.365 nan 4.420 nan 0.000 0.284 344 P C -1.393 175.818 177.300 -0.149 0.000 1.432 344 P CA -0.334 62.619 63.100 -0.246 0.000 0.929 344 P CB 1.314 32.440 31.700 -0.957 0.000 1.158 345 A N 4.411 127.160 122.820 -0.117 0.000 2.340 345 A HA 0.425 4.745 4.320 0.000 0.000 0.297 345 A C -0.207 177.175 177.584 -0.336 0.000 1.195 345 A CA -0.718 51.187 52.037 -0.221 0.000 0.769 345 A CB 0.983 19.851 19.000 -0.219 0.000 1.163 345 A HN 0.291 nan 8.150 nan 0.000 0.472 346 V N 2.506 122.100 119.914 -0.534 0.000 2.521 346 V HA 0.301 4.421 4.120 0.000 0.000 0.286 346 V C 1.259 176.875 176.094 -0.797 0.000 1.034 346 V CA 1.163 63.061 62.300 -0.670 0.000 1.045 346 V CB 0.973 32.302 31.823 -0.823 0.000 0.974 346 V HN 1.080 nan 8.190 nan 0.000 0.480 347 A N 4.525 127.073 122.820 -0.454 0.000 2.167 347 A HA 0.132 4.452 4.320 0.000 0.000 0.208 347 A C 1.276 178.744 177.584 -0.193 0.000 1.198 347 A CA 0.375 52.218 52.037 -0.323 0.000 0.863 347 A CB -0.015 18.864 19.000 -0.202 0.000 0.904 347 A HN 0.830 nan 8.150 nan 0.000 0.484 348 N N -0.402 118.198 118.700 -0.166 0.000 2.321 348 N HA 0.269 5.009 4.740 0.000 0.000 0.242 348 N C -0.256 175.250 175.510 -0.006 0.000 1.141 348 N CA -0.094 52.916 53.050 -0.065 0.000 0.864 348 N CB -0.291 38.152 38.487 -0.074 0.000 1.100 348 N HN 0.349 nan 8.380 nan 0.000 0.510 349 M N 0.451 120.046 119.600 -0.007 0.000 2.478 349 M HA 0.361 4.841 4.480 0.000 0.000 0.327 349 M C -0.449 175.981 176.300 0.216 0.000 1.187 349 M CA -0.949 54.435 55.300 0.141 0.000 1.022 349 M CB 2.381 35.093 32.600 0.187 0.000 1.629 349 M HN 0.107 nan 8.290 nan 0.000 0.461 350 L N 3.091 124.488 121.223 0.291 0.000 2.309 350 L HA 0.533 4.873 4.340 0.000 0.000 0.282 350 L C -1.338 175.791 176.870 0.431 0.000 1.036 350 L CA -0.969 54.060 54.840 0.316 0.000 0.806 350 L CB 1.111 43.313 42.059 0.238 0.000 1.220 350 L HN 0.601 nan 8.230 nan 0.000 0.429 351 L N 5.273 126.756 121.223 0.433 0.000 2.264 351 L HA 0.441 4.781 4.340 0.000 0.000 0.289 351 L C -0.430 176.639 176.870 0.332 0.000 1.044 351 L CA 0.286 55.362 54.840 0.395 0.000 0.807 351 L CB 1.090 43.369 42.059 0.365 0.000 1.192 351 L HN 0.649 nan 8.230 nan 0.000 0.425 352 E N 5.130 125.478 120.200 0.246 0.000 2.158 352 E HA 0.522 4.872 4.350 0.000 0.000 0.271 352 E C -1.952 174.682 176.600 0.056 0.000 0.911 352 E CA -0.450 56.039 56.400 0.148 0.000 0.767 352 E CB 1.902 31.702 29.700 0.167 0.000 1.120 352 E HN 0.529 nan 8.360 nan 0.000 0.405 353 V N 3.088 122.981 119.914 -0.035 0.000 2.817 353 V HA 0.502 4.622 4.120 0.000 0.000 0.303 353 V C 0.216 176.133 176.094 -0.296 0.000 1.151 353 V CA 0.445 62.608 62.300 -0.227 0.000 0.929 353 V CB 1.413 33.026 31.823 -0.349 0.000 1.030 353 V HN 0.885 nan 8.190 nan 0.000 0.427 354 G N 4.405 113.054 108.800 -0.252 0.000 2.395 354 G HA2 0.081 4.041 3.960 0.000 0.000 0.300 354 G HA3 0.081 4.041 3.960 0.000 0.000 0.300 354 G C 1.594 176.604 174.900 0.184 0.000 0.998 354 G CA 1.434 46.582 45.100 0.080 0.000 1.046 354 G HN 2.751 nan 8.290 nan 0.000 0.513 355 G N -1.880 106.959 108.800 0.064 0.000 2.284 355 G HA2 -0.289 3.671 3.960 0.000 0.000 0.261 355 G HA3 -0.289 3.671 3.960 0.000 0.000 0.261 355 G C 0.634 175.539 174.900 0.009 0.000 0.997 355 G CA 0.735 45.893 45.100 0.097 0.000 0.621 355 G HN 1.319 nan 8.290 nan 0.000 0.534 356 L N 0.449 121.630 121.223 -0.069 0.000 2.418 356 L HA 0.642 4.982 4.340 0.000 0.000 0.265 356 L C 0.399 177.100 176.870 -0.281 0.000 1.143 356 L CA -0.373 54.320 54.840 -0.246 0.000 0.809 356 L CB 0.943 42.737 42.059 -0.442 0.000 1.124 356 L HN 0.192 nan 8.230 nan 0.000 0.456 357 E N 1.676 121.643 120.200 -0.388 0.000 2.241 357 E HA 0.381 4.731 4.350 0.000 0.000 0.263 357 E C -1.616 174.777 176.600 -0.345 0.000 0.882 357 E CA -0.387 55.865 56.400 -0.246 0.000 0.769 357 E CB 1.900 31.523 29.700 -0.129 0.000 1.185 357 E HN 0.262 nan 8.360 nan 0.000 0.415 358 F N 3.335 123.313 119.950 0.047 0.000 2.311 358 F HA 0.306 4.833 4.527 0.000 0.000 0.371 358 F C -1.795 174.081 175.800 0.127 0.000 1.083 358 F CA -2.141 55.908 58.000 0.082 0.000 1.113 358 F CB 1.392 40.431 39.000 0.066 0.000 1.349 358 F HN 0.349 nan 8.300 nan 0.000 0.470 359 P HA -0.044 nan 4.420 nan 0.000 0.230 359 P C -0.192 177.258 177.300 0.250 0.000 1.158 359 P CA 0.676 63.908 63.100 0.220 0.000 0.769 359 P CB 0.455 32.260 31.700 0.176 0.000 0.807 360 A N -0.009 123.004 122.820 0.323 0.000 2.411 360 A HA 0.560 4.880 4.320 0.000 0.000 0.285 360 A C -0.313 177.453 177.584 0.303 0.000 1.129 360 A CA -0.427 51.820 52.037 0.350 0.000 0.736 360 A CB 0.377 19.670 19.000 0.488 0.000 1.186 360 A HN 0.235 nan 8.150 nan 0.000 0.445 361 C N 0.698 120.091 119.300 0.156 0.000 2.996 361 C HA 0.429 4.889 4.460 0.000 0.000 0.221 361 C C -2.758 172.205 174.990 -0.046 0.000 1.122 361 C CA -1.431 57.603 59.018 0.028 0.000 1.040 361 C CB -0.528 27.273 27.740 0.102 0.000 1.804 361 C HN 0.592 nan 8.230 nan 0.000 0.659 362 P HA 0.314 nan 4.420 nan 0.000 0.265 362 P C -0.559 176.574 177.300 -0.279 0.000 1.187 362 P CA 1.074 63.960 63.100 -0.357 0.000 0.766 362 P CB 0.534 32.049 31.700 -0.309 0.000 0.820 363 F N -0.104 119.682 119.950 -0.274 0.000 2.664 363 F HA 0.705 5.232 4.527 0.000 0.000 0.317 363 F C -0.693 174.951 175.800 -0.261 0.000 1.108 363 F CA -1.219 56.630 58.000 -0.251 0.000 0.957 363 F CB 1.540 40.278 39.000 -0.436 0.000 1.365 363 F HN 0.402 nan 8.300 nan 0.000 0.475 364 N N -0.469 118.285 118.700 0.090 0.000 2.591 364 N HA 0.672 5.412 4.740 0.000 0.000 0.263 364 N C -1.307 174.109 175.510 -0.156 0.000 1.308 364 N CA -0.361 52.674 53.050 -0.024 0.000 0.837 364 N CB 1.842 40.356 38.487 0.045 0.000 1.548 364 N HN 1.097 nan 8.380 nan 0.000 0.493 365 G N -0.698 107.971 108.800 -0.218 0.000 3.291 365 G HA2 0.684 4.644 3.960 0.000 0.000 0.173 365 G HA3 0.684 4.644 3.960 0.000 0.000 0.173 365 G C -1.765 173.065 174.900 -0.117 0.000 1.099 365 G CA -0.688 44.190 45.100 -0.370 0.000 0.794 365 G HN 0.687 nan 8.290 nan 0.000 0.651 366 W N -1.397 119.885 121.300 -0.029 0.000 2.864 366 W HA 0.803 5.463 4.660 0.000 0.000 0.343 366 W C -1.325 175.170 176.519 -0.040 0.000 1.109 366 W CA -2.261 55.084 57.345 -0.000 0.000 1.192 366 W CB 0.332 29.823 29.460 0.051 0.000 1.426 366 W HN 0.427 nan 8.180 nan 0.000 0.529 367 Y N 2.572 123.016 120.300 0.240 0.000 2.550 367 Y HA 0.127 4.677 4.550 0.000 0.000 0.343 367 Y C 0.832 176.744 175.900 0.020 0.000 1.245 367 Y CA 0.048 58.166 58.100 0.029 0.000 1.462 367 Y CB 0.789 39.153 38.460 -0.161 0.000 1.340 367 Y HN 0.466 nan 8.280 nan 0.000 0.604 368 M N 2.865 122.569 119.600 0.175 0.000 2.125 368 M HA 0.326 4.807 4.480 0.000 0.000 0.321 368 M C 1.072 177.338 176.300 -0.056 0.000 0.983 368 M CA -0.189 55.151 55.300 0.067 0.000 0.934 368 M CB 1.122 33.748 32.600 0.044 0.000 1.542 368 M HN 0.869 nan 8.290 nan 0.000 0.424 369 G N 2.326 111.048 108.800 -0.130 0.000 2.816 369 G HA2 -0.429 3.531 3.960 0.000 0.000 0.229 369 G HA3 -0.429 3.531 3.960 0.000 0.000 0.229 369 G C 1.113 175.851 174.900 -0.270 0.000 1.158 369 G CA 2.329 47.293 45.100 -0.226 0.000 0.761 369 G HN 0.885 nan 8.290 nan 0.000 0.636 370 T N -1.386 113.012 114.554 -0.261 0.000 2.897 370 T HA -0.053 4.297 4.350 0.000 0.000 0.271 370 T C 1.935 176.450 174.700 -0.310 0.000 1.084 370 T CA 1.772 63.669 62.100 -0.338 0.000 1.123 370 T CB -0.154 68.433 68.868 -0.469 0.000 0.865 370 T HN 0.338 nan 8.240 nan 0.000 0.496 371 E N 1.089 121.132 120.200 -0.261 0.000 2.051 371 E HA -0.028 4.322 4.350 0.000 0.000 0.192 371 E C 2.154 178.470 176.600 -0.474 0.000 0.991 371 E CA 1.209 57.466 56.400 -0.238 0.000 0.799 371 E CB -0.244 29.460 29.700 0.007 0.000 0.748 371 E HN 0.628 nan 8.360 nan 0.000 0.449 372 I N -0.086 120.054 120.570 -0.718 0.000 2.296 372 I HA -0.074 4.096 4.170 0.000 0.000 0.242 372 I C 2.527 178.033 176.117 -1.018 0.000 1.087 372 I CA 1.016 61.581 61.300 -1.226 0.000 1.393 372 I CB -0.515 36.678 38.000 -1.344 0.000 1.093 372 I HN 0.079 nan 8.210 nan 0.000 0.421 373 G N 0.392 108.860 108.800 -0.553 0.000 2.432 373 G HA2 -0.137 3.823 3.960 0.000 0.000 0.219 373 G HA3 -0.137 3.823 3.960 0.000 0.000 0.219 373 G C 1.522 176.355 174.900 -0.112 0.000 1.135 373 G CA 1.324 46.309 45.100 -0.193 0.000 0.767 373 G HN 0.270 nan 8.290 nan 0.000 0.550 374 V N -0.267 119.517 119.914 -0.215 0.000 2.743 374 V HA 0.130 4.250 4.120 0.000 0.000 0.237 374 V C 2.676 178.686 176.094 -0.139 0.000 1.113 374 V CA 0.542 62.753 62.300 -0.149 0.000 1.141 374 V CB -0.205 31.501 31.823 -0.195 0.000 0.873 374 V HN 0.073 nan 8.190 nan 0.000 0.486 375 R N 0.916 121.292 120.500 -0.207 0.000 2.055 375 R HA -0.037 4.303 4.340 0.000 0.000 0.228 375 R C 1.945 178.165 176.300 -0.135 0.000 1.143 375 R CA 1.583 57.587 56.100 -0.160 0.000 0.945 375 R CB -1.012 29.183 30.300 -0.176 0.000 0.841 375 R HN 0.471 nan 8.270 nan 0.000 0.429 376 D N 0.375 120.582 120.400 -0.322 0.000 2.097 376 D HA -0.117 4.523 4.640 0.000 0.000 0.195 376 D C 1.886 178.162 176.300 -0.040 0.000 0.989 376 D CA 1.146 54.918 54.000 -0.381 0.000 0.827 376 D CB -0.207 39.799 40.800 -1.322 0.000 0.966 376 D HN 0.087 nan 8.370 nan 0.000 0.456 377 F N 0.275 120.134 119.950 -0.152 0.000 2.270 377 F HA 0.029 4.556 4.527 0.000 0.000 0.295 377 F C 2.393 178.246 175.800 0.088 0.000 1.087 377 F CA -0.182 57.830 58.000 0.019 0.000 1.365 377 F CB -0.674 38.321 39.000 -0.007 0.000 1.056 377 F HN 0.041 nan 8.300 nan 0.000 0.506 378 C N -1.174 118.253 119.300 0.211 0.000 2.735 378 C HA 0.161 4.621 4.460 0.000 0.000 0.271 378 C C 0.476 175.522 174.990 0.093 0.000 1.281 378 C CA -0.655 58.447 59.018 0.141 0.000 1.719 378 C CB -0.651 27.141 27.740 0.087 0.000 2.024 378 C HN 0.098 nan 8.230 nan 0.000 0.566 379 D N 1.736 122.181 120.400 0.074 0.000 2.443 379 D HA 0.066 4.706 4.640 0.000 0.000 0.239 379 D C 1.516 177.864 176.300 0.081 0.000 1.136 379 D CA 0.554 54.586 54.000 0.053 0.000 0.879 379 D CB 0.819 41.644 40.800 0.041 0.000 1.195 379 D HN 0.399 nan 8.370 nan 0.000 0.443 380 T N -0.969 113.621 114.554 0.061 0.000 2.962 380 T HA -0.204 4.146 4.350 0.000 0.000 0.270 380 T C 1.243 175.981 174.700 0.063 0.000 1.088 380 T CA 0.703 62.843 62.100 0.067 0.000 1.127 380 T CB -0.026 68.875 68.868 0.055 0.000 0.883 380 T HN 0.490 nan 8.240 nan 0.000 0.493 381 Q N 0.636 120.472 119.800 0.059 0.000 2.322 381 Q HA 0.191 4.531 4.340 0.000 0.000 0.203 381 Q C 0.623 176.663 176.000 0.067 0.000 0.923 381 Q CA -0.231 55.605 55.803 0.055 0.000 0.949 381 Q CB 0.203 28.972 28.738 0.051 0.000 1.039 381 Q HN 0.385 nan 8.270 nan 0.000 0.496 382 R N -0.508 120.047 120.500 0.093 0.000 2.893 382 R HA 0.247 4.587 4.340 0.000 0.000 0.108 382 R C 1.136 177.492 176.300 0.092 0.000 0.889 382 R CA -0.492 55.690 56.100 0.137 0.000 0.627 382 R CB -0.996 29.459 30.300 0.258 0.000 0.778 382 R HN 0.049 nan 8.270 nan 0.000 0.360 383 Y N 1.782 122.219 120.300 0.228 0.000 2.571 383 Y HA -0.032 4.518 4.550 0.000 0.000 0.294 383 Y C 0.663 176.659 175.900 0.160 0.000 1.141 383 Y CA 0.568 58.804 58.100 0.228 0.000 1.308 383 Y CB -0.310 38.380 38.460 0.383 0.000 1.002 383 Y HN 0.429 nan 8.280 nan 0.000 0.551 384 N N 1.288 120.145 118.700 0.261 0.000 2.696 384 N HA -0.233 4.507 4.740 0.000 0.000 0.271 384 N C 0.327 175.943 175.510 0.176 0.000 0.997 384 N CA 0.878 54.037 53.050 0.182 0.000 0.801 384 N CB -1.189 37.372 38.487 0.122 0.000 0.913 384 N HN 0.691 nan 8.380 nan 0.000 0.557 385 I N -2.917 117.772 120.570 0.197 0.000 3.875 385 I HA 0.075 4.245 4.170 0.000 0.000 0.329 385 I C 1.643 177.863 176.117 0.171 0.000 1.295 385 I CA -0.448 60.940 61.300 0.146 0.000 1.129 385 I CB -0.027 38.017 38.000 0.072 0.000 1.008 385 I HN 0.105 nan 8.210 nan 0.000 0.413 386 L N 1.786 123.130 121.223 0.202 0.000 2.012 386 L HA -0.189 4.151 4.340 0.000 0.000 0.210 386 L C 2.541 179.647 176.870 0.393 0.000 1.073 386 L CA 2.072 57.069 54.840 0.262 0.000 0.748 386 L CB -0.837 41.334 42.059 0.186 0.000 0.891 386 L HN 0.482 nan 8.230 nan 0.000 0.431 387 E N -1.143 119.257 120.200 0.333 0.000 2.150 387 E HA -0.220 4.130 4.350 0.000 0.000 0.193 387 E C 1.978 178.599 176.600 0.036 0.000 0.985 387 E CA 0.760 57.282 56.400 0.203 0.000 0.814 387 E CB 0.037 29.806 29.700 0.116 0.000 0.752 387 E HN 0.493 nan 8.360 nan 0.000 0.466 388 E N 0.174 120.418 120.200 0.073 0.000 2.051 388 E HA -0.137 4.213 4.350 0.000 0.000 0.192 388 E C 2.099 178.719 176.600 0.034 0.000 0.991 388 E CA 1.047 57.460 56.400 0.022 0.000 0.799 388 E CB 0.137 29.860 29.700 0.037 0.000 0.748 388 E HN 0.179 nan 8.360 nan 0.000 0.449 389 V N 0.230 120.237 119.914 0.156 0.000 2.871 389 V HA -0.092 4.028 4.120 0.000 0.000 0.256 389 V C 2.215 178.448 176.094 0.231 0.000 1.082 389 V CA 1.333 63.810 62.300 0.295 0.000 1.105 389 V CB -0.411 31.671 31.823 0.433 0.000 0.713 389 V HN 0.275 nan 8.190 nan 0.000 0.473 390 G N 1.871 110.772 108.800 0.169 0.000 2.524 390 G HA2 -0.263 3.697 3.960 0.000 0.000 0.215 390 G HA3 -0.263 3.697 3.960 0.000 0.000 0.215 390 G C 1.588 176.395 174.900 -0.155 0.000 1.239 390 G CA 0.989 46.133 45.100 0.072 0.000 0.798 390 G HN 0.580 nan 8.290 nan 0.000 0.557 391 R N 0.245 120.581 120.500 -0.272 0.000 2.117 391 R HA -0.015 4.325 4.340 0.000 0.000 0.243 391 R C 2.324 178.410 176.300 -0.356 0.000 1.143 391 R CA 1.356 57.272 56.100 -0.307 0.000 0.968 391 R CB -0.522 29.610 30.300 -0.280 0.000 0.863 391 R HN 0.260 nan 8.270 nan 0.000 0.444 392 R N 0.117 120.334 120.500 -0.473 0.000 2.339 392 R HA 0.104 4.444 4.340 0.000 0.000 0.199 392 R C 1.680 177.393 176.300 -0.977 0.000 1.018 392 R CA 0.886 56.434 56.100 -0.919 0.000 1.036 392 R CB -0.053 29.426 30.300 -1.369 0.000 0.899 392 R HN 0.347 nan 8.270 nan 0.000 0.473 393 M N -1.270 118.082 119.600 -0.413 0.000 2.414 393 M HA 0.148 4.628 4.480 0.000 0.000 0.251 393 M C 0.958 177.167 176.300 -0.152 0.000 1.116 393 M CA 0.554 55.760 55.300 -0.157 0.000 1.056 393 M CB 1.058 33.729 32.600 0.118 0.000 1.388 393 M HN 0.428 nan 8.290 nan 0.000 0.487 394 G N 1.197 109.879 108.800 -0.198 0.000 2.195 394 G HA2 -0.223 3.737 3.960 0.000 0.000 0.246 394 G HA3 -0.223 3.737 3.960 0.000 0.000 0.246 394 G C 0.168 175.000 174.900 -0.114 0.000 0.984 394 G CA -0.288 44.721 45.100 -0.153 0.000 0.633 394 G HN 0.367 nan 8.290 nan 0.000 0.525 395 L N 0.567 121.734 121.223 -0.094 0.000 2.483 395 L HA 0.347 4.687 4.340 0.000 0.000 0.275 395 L C 0.689 177.444 176.870 -0.192 0.000 1.220 395 L CA -0.054 54.748 54.840 -0.063 0.000 0.833 395 L CB 0.222 42.317 42.059 0.060 0.000 1.102 395 L HN 0.148 nan 8.230 nan 0.000 0.490 396 E N 0.041 120.164 120.200 -0.129 0.000 1.842 396 E HA -0.001 4.349 4.350 0.000 0.000 0.278 396 E C 1.017 177.338 176.600 -0.464 0.000 1.171 396 E CA 0.024 56.318 56.400 -0.177 0.000 1.127 396 E CB -0.132 29.555 29.700 -0.022 0.000 1.100 396 E HN 0.595 nan 8.360 nan 0.000 0.456 397 T N -1.649 112.363 114.554 -0.904 0.000 3.228 397 T HA -0.132 4.218 4.350 0.000 0.000 0.261 397 T C 0.713 174.781 174.700 -1.053 0.000 1.171 397 T CA 0.669 61.739 62.100 -1.718 0.000 1.056 397 T CB -0.116 67.765 68.868 -1.644 0.000 0.938 397 T HN 0.402 nan 8.240 nan 0.000 0.539 398 H N -0.272 118.628 119.070 -0.283 0.000 2.755 398 H HA 0.285 4.841 4.556 0.000 0.000 0.273 398 H C -0.043 175.308 175.328 0.039 0.000 1.055 398 H CA -0.069 55.933 56.048 -0.076 0.000 1.191 398 H CB 0.910 30.623 29.762 -0.082 0.000 1.536 398 H HN 0.331 nan 8.280 nan 0.000 0.529 399 T N 2.262 116.911 114.554 0.157 0.000 2.912 399 T HA 0.227 4.577 4.350 0.000 0.000 0.326 399 T C 1.519 176.393 174.700 0.291 0.000 1.080 399 T CA -0.296 61.917 62.100 0.188 0.000 1.000 399 T CB 1.274 70.220 68.868 0.130 0.000 1.008 399 T HN 0.087 nan 8.240 nan 0.000 0.473 400 L N 2.008 123.382 121.223 0.253 0.000 2.043 400 L HA -0.198 4.142 4.340 0.000 0.000 0.212 400 L C 2.827 179.767 176.870 0.116 0.000 1.075 400 L CA 1.619 56.573 54.840 0.190 0.000 0.752 400 L CB -0.434 41.690 42.059 0.107 0.000 0.891 400 L HN 0.722 nan 8.230 nan 0.000 0.432 401 A N -0.231 122.651 122.820 0.103 0.000 2.076 401 A HA -0.220 4.100 4.320 0.000 0.000 0.220 401 A C 2.375 180.010 177.584 0.086 0.000 1.160 401 A CA 1.799 53.880 52.037 0.073 0.000 0.653 401 A CB -0.618 18.420 19.000 0.063 0.000 0.801 401 A HN 0.596 nan 8.150 nan 0.000 0.455 402 S N -0.689 115.096 115.700 0.143 0.000 2.515 402 S HA 0.093 4.563 4.470 0.000 0.000 0.231 402 S C 0.883 175.566 174.600 0.138 0.000 0.987 402 S CA 0.698 58.989 58.200 0.151 0.000 0.936 402 S CB -0.725 62.593 63.200 0.196 0.000 0.766 402 S HN 0.880 nan 8.310 nan 0.000 0.528 403 L N 0.252 121.525 121.223 0.084 0.000 4.040 403 L HA -0.176 4.164 4.340 0.000 0.000 0.410 403 L C 1.656 178.529 176.870 0.004 0.000 1.187 403 L CA 0.792 55.625 54.840 -0.012 0.000 0.956 403 L CB -2.652 39.411 42.059 0.006 0.000 2.022 403 L HN 0.764 nan 8.230 nan 0.000 0.897 404 W N 0.365 121.678 121.300 0.021 0.000 2.374 404 W HA -0.155 4.505 4.660 0.000 0.000 0.288 404 W C 1.689 178.230 176.519 0.037 0.000 1.218 404 W CA 1.338 58.698 57.345 0.025 0.000 1.245 404 W CB -0.700 28.761 29.460 0.003 0.000 1.126 404 W HN 0.283 nan 8.180 nan 0.000 0.545 405 K N 0.990 120.860 120.400 -0.883 0.000 2.057 405 K HA -0.159 4.161 4.320 0.000 0.000 0.207 405 K C 1.442 177.882 176.600 -0.267 0.000 1.049 405 K CA 2.241 58.051 56.287 -0.794 0.000 0.931 405 K CB -0.379 31.550 32.500 -0.950 0.000 0.714 405 K HN 0.035 nan 8.250 nan 0.000 0.440 406 D N 0.120 120.408 120.400 -0.187 0.000 2.219 406 D HA -0.087 4.553 4.640 0.000 0.000 0.205 406 D C 1.879 178.184 176.300 0.007 0.000 0.970 406 D CA 0.829 54.786 54.000 -0.073 0.000 0.851 406 D CB 0.119 40.888 40.800 -0.052 0.000 0.943 406 D HN 0.094 nan 8.370 nan 0.000 0.488 407 R N 0.394 120.926 120.500 0.054 0.000 2.062 407 R HA 0.149 4.489 4.340 0.000 0.000 0.226 407 R C 2.190 178.594 176.300 0.174 0.000 1.125 407 R CA 0.992 57.168 56.100 0.127 0.000 0.966 407 R CB -0.345 30.057 30.300 0.171 0.000 0.861 407 R HN 0.167 nan 8.270 nan 0.000 0.433 408 A N 0.921 123.869 122.820 0.212 0.000 1.845 408 A HA -0.130 4.190 4.320 0.000 0.000 0.215 408 A C 2.269 179.978 177.584 0.208 0.000 1.195 408 A CA 1.472 53.675 52.037 0.276 0.000 0.616 408 A CB -1.025 18.190 19.000 0.358 0.000 0.832 408 A HN 0.149 nan 8.150 nan 0.000 0.443 409 V N 0.051 120.038 119.914 0.121 0.000 2.453 409 V HA -0.252 3.868 4.120 0.000 0.000 0.252 409 V C 2.584 178.721 176.094 0.072 0.000 1.068 409 V CA 2.910 65.261 62.300 0.084 0.000 1.070 409 V CB -0.843 30.984 31.823 0.007 0.000 0.664 409 V HN 0.677 nan 8.190 nan 0.000 0.461 410 T N -0.739 113.858 114.554 0.072 0.000 2.777 410 T HA -0.144 4.206 4.350 0.000 0.000 0.266 410 T C 1.771 176.506 174.700 0.059 0.000 1.040 410 T CA 1.567 63.704 62.100 0.060 0.000 1.141 410 T CB -0.157 68.749 68.868 0.063 0.000 0.868 410 T HN 0.459 nan 8.240 nan 0.000 0.444 411 E N 0.758 121.022 120.200 0.107 0.000 2.150 411 E HA 0.053 4.404 4.350 0.000 0.000 0.193 411 E C 1.998 178.621 176.600 0.037 0.000 0.985 411 E CA 0.531 56.994 56.400 0.105 0.000 0.814 411 E CB -0.334 29.493 29.700 0.212 0.000 0.752 411 E HN 0.502 nan 8.360 nan 0.000 0.466 412 I N 0.301 120.948 120.570 0.129 0.000 2.226 412 I HA -0.290 3.880 4.170 0.000 0.000 0.245 412 I C 1.886 178.029 176.117 0.043 0.000 1.100 412 I CA 1.169 62.565 61.300 0.159 0.000 1.374 412 I CB -0.349 37.827 38.000 0.294 0.000 1.057 412 I HN 0.150 nan 8.210 nan 0.000 0.413 413 N N 0.189 118.900 118.700 0.018 0.000 2.166 413 N HA -0.152 4.588 4.740 0.000 0.000 0.186 413 N C 1.836 177.302 175.510 -0.073 0.000 1.019 413 N CA 1.065 54.096 53.050 -0.032 0.000 0.856 413 N CB 0.079 38.550 38.487 -0.027 0.000 0.993 413 N HN 0.069 nan 8.380 nan 0.000 0.426 414 V N 0.980 120.819 119.914 -0.125 0.000 2.427 414 V HA -0.206 3.914 4.120 0.000 0.000 0.248 414 V C 2.274 178.173 176.094 -0.325 0.000 1.051 414 V CA 1.828 63.992 62.300 -0.227 0.000 1.048 414 V CB -0.900 30.730 31.823 -0.322 0.000 0.666 414 V HN 0.352 nan 8.190 nan 0.000 0.456 415 A N 0.083 122.640 122.820 -0.438 0.000 1.865 415 A HA -0.175 4.145 4.320 0.000 0.000 0.217 415 A C 2.421 179.939 177.584 -0.110 0.000 1.191 415 A CA 2.244 53.994 52.037 -0.479 0.000 0.623 415 A CB -0.825 17.622 19.000 -0.922 0.000 0.826 415 A HN 0.311 nan 8.150 nan 0.000 0.444 416 V N 0.168 120.079 119.914 -0.006 0.000 2.231 416 V HA -0.316 3.804 4.120 0.000 0.000 0.248 416 V C 2.616 178.781 176.094 0.118 0.000 1.054 416 V CA 2.238 64.609 62.300 0.117 0.000 1.015 416 V CB -0.901 30.921 31.823 -0.001 0.000 0.638 416 V HN 0.579 nan 8.190 nan 0.000 0.444 417 L N -0.648 120.573 121.223 -0.004 0.000 2.042 417 L HA -0.243 4.097 4.340 0.000 0.000 0.210 417 L C 2.637 179.535 176.870 0.047 0.000 1.076 417 L CA 2.182 57.020 54.840 -0.004 0.000 0.749 417 L CB -0.907 41.135 42.059 -0.029 0.000 0.893 417 L HN 0.532 nan 8.230 nan 0.000 0.432 418 H N -0.370 118.648 119.070 -0.087 0.000 2.321 418 H HA -0.141 4.415 4.556 0.000 0.000 0.300 418 H C 2.288 177.593 175.328 -0.038 0.000 1.087 418 H CA 1.784 57.769 56.048 -0.104 0.000 1.319 418 H CB 0.353 29.980 29.762 -0.226 0.000 1.379 418 H HN 0.250 nan 8.280 nan 0.000 0.501 419 S N 0.171 115.790 115.700 -0.136 0.000 2.382 419 S HA -0.111 4.359 4.470 0.000 0.000 0.228 419 S C 1.916 176.456 174.600 -0.101 0.000 1.027 419 S CA 1.165 59.272 58.200 -0.154 0.000 0.991 419 S CB -0.408 62.788 63.200 -0.005 0.000 0.823 419 S HN 0.300 nan 8.310 nan 0.000 0.469 420 F N 1.870 121.747 119.950 -0.122 0.000 2.163 420 F HA -0.040 4.487 4.527 0.000 0.000 0.297 420 F C 2.633 178.368 175.800 -0.108 0.000 1.094 420 F CA 0.952 58.899 58.000 -0.087 0.000 1.290 420 F CB -0.512 38.454 39.000 -0.058 0.000 1.017 420 F HN 0.185 nan 8.300 nan 0.000 0.483 421 Q N -0.054 119.778 119.800 0.054 0.000 2.084 421 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 421 Q C 2.230 178.177 176.000 -0.089 0.000 0.978 421 Q CA 1.589 57.377 55.803 -0.024 0.000 0.844 421 Q CB -0.225 28.493 28.738 -0.033 0.000 0.898 421 Q HN 0.333 nan 8.270 nan 0.000 0.426 422 K N 0.897 121.186 120.400 -0.185 0.000 2.026 422 K HA -0.161 4.160 4.320 0.000 0.000 0.208 422 K C 1.404 177.924 176.600 -0.133 0.000 1.048 422 K CA 1.247 57.415 56.287 -0.198 0.000 0.929 422 K CB 0.149 32.442 32.500 -0.346 0.000 0.713 422 K HN 0.178 nan 8.250 nan 0.000 0.439 423 Q N 0.882 120.598 119.800 -0.140 0.000 2.329 423 Q HA 0.059 4.399 4.340 0.000 0.000 0.208 423 Q C -0.657 175.290 176.000 -0.089 0.000 0.934 423 Q CA -0.199 55.532 55.803 -0.119 0.000 0.951 423 Q CB 0.124 28.765 28.738 -0.161 0.000 1.017 423 Q HN 0.294 nan 8.270 nan 0.000 0.490 424 N N 0.170 118.830 118.700 -0.066 0.000 2.714 424 N HA -0.154 4.586 4.740 0.000 0.000 0.252 424 N C -1.366 174.128 175.510 -0.026 0.000 1.014 424 N CA 0.623 53.646 53.050 -0.044 0.000 0.735 424 N CB -1.156 37.304 38.487 -0.045 0.000 0.924 424 N HN 0.047 nan 8.380 nan 0.000 0.540 425 V N 0.828 120.747 119.914 0.008 0.000 2.378 425 V HA 0.221 4.341 4.120 0.000 0.000 0.288 425 V C 0.796 177.002 176.094 0.187 0.000 1.016 425 V CA -0.713 61.637 62.300 0.084 0.000 0.840 425 V CB 1.988 33.827 31.823 0.028 0.000 0.994 425 V HN 0.209 nan 8.190 nan 0.000 0.431 426 T N 6.235 120.838 114.554 0.081 0.000 2.939 426 T HA 0.325 4.675 4.350 0.000 0.000 0.312 426 T C -0.209 174.507 174.700 0.027 0.000 1.064 426 T CA 1.081 63.147 62.100 -0.057 0.000 1.136 426 T CB 0.090 68.817 68.868 -0.234 0.000 1.035 426 T HN 0.612 nan 8.240 nan 0.000 0.538 427 I N 1.930 122.425 120.570 -0.126 0.000 2.793 427 I HA 0.484 4.654 4.170 0.000 0.000 0.295 427 I C -1.746 174.313 176.117 -0.096 0.000 1.610 427 I CA -0.866 60.368 61.300 -0.111 0.000 0.986 427 I CB 1.790 39.612 38.000 -0.297 0.000 1.402 427 I HN 0.685 nan 8.210 nan 0.000 0.500 428 M N 5.232 124.839 119.600 0.011 0.000 2.327 428 M HA 0.419 4.899 4.480 0.000 0.000 0.298 428 M C -1.591 174.741 176.300 0.054 0.000 1.065 428 M CA -0.461 54.871 55.300 0.053 0.000 0.916 428 M CB 1.727 34.437 32.600 0.183 0.000 1.630 428 M HN 0.622 nan 8.290 nan 0.000 0.442 429 D N 2.186 122.617 120.400 0.051 0.000 2.357 429 D HA 0.073 4.713 4.640 0.000 0.000 0.242 429 D C 1.183 177.551 176.300 0.113 0.000 1.153 429 D CA -0.101 53.960 54.000 0.102 0.000 0.918 429 D CB 0.568 41.424 40.800 0.094 0.000 1.181 429 D HN 0.700 nan 8.370 nan 0.000 0.435 430 H N 0.565 119.595 119.070 -0.066 0.000 2.421 430 H HA -0.171 4.385 4.556 0.000 0.000 0.298 430 H C 1.157 176.393 175.328 -0.153 0.000 1.087 430 H CA 1.565 57.529 56.048 -0.141 0.000 1.330 430 H CB -0.792 28.827 29.762 -0.238 0.000 1.388 430 H HN 0.566 nan 8.280 nan 0.000 0.526 431 H N 0.871 119.705 119.070 -0.392 0.000 2.293 431 H HA -0.058 4.498 4.556 0.000 0.000 0.300 431 H C 2.017 177.298 175.328 -0.079 0.000 1.082 431 H CA 2.041 57.941 56.048 -0.247 0.000 1.308 431 H CB -0.314 29.280 29.762 -0.280 0.000 1.375 431 H HN 0.400 nan 8.280 nan 0.000 0.495 432 T N 1.175 115.773 114.554 0.073 0.000 2.759 432 T HA -0.118 4.232 4.350 0.000 0.000 0.269 432 T C 2.321 177.075 174.700 0.090 0.000 1.042 432 T CA 1.169 63.312 62.100 0.071 0.000 1.140 432 T CB -0.389 68.515 68.868 0.059 0.000 0.864 432 T HN 0.442 nan 8.240 nan 0.000 0.455 433 A N 1.152 124.024 122.820 0.087 0.000 1.877 433 A HA -0.074 4.246 4.320 0.000 0.000 0.216 433 A C 2.648 180.308 177.584 0.127 0.000 1.186 433 A CA 1.873 53.978 52.037 0.113 0.000 0.620 433 A CB -0.940 18.115 19.000 0.091 0.000 0.822 433 A HN 0.417 nan 8.150 nan 0.000 0.443 434 S N -0.504 115.248 115.700 0.087 0.000 2.356 434 S HA -0.173 4.297 4.470 0.000 0.000 0.223 434 S C 1.919 176.624 174.600 0.175 0.000 1.032 434 S CA 1.563 59.834 58.200 0.119 0.000 1.005 434 S CB -0.312 62.920 63.200 0.054 0.000 0.867 434 S HN 0.680 nan 8.310 nan 0.000 0.449 435 E N 0.940 121.217 120.200 0.128 0.000 2.058 435 E HA -0.147 4.203 4.350 0.000 0.000 0.194 435 E C 2.440 179.113 176.600 0.121 0.000 0.997 435 E CA 1.529 57.998 56.400 0.114 0.000 0.801 435 E CB -0.232 29.517 29.700 0.082 0.000 0.746 435 E HN 0.634 nan 8.360 nan 0.000 0.450 436 S N 0.613 116.394 115.700 0.135 0.000 2.399 436 S HA -0.194 4.276 4.470 0.000 0.000 0.231 436 S C 1.907 176.608 174.600 0.169 0.000 1.022 436 S CA 0.804 59.085 58.200 0.134 0.000 0.983 436 S CB -0.479 62.805 63.200 0.140 0.000 0.803 436 S HN 0.301 nan 8.310 nan 0.000 0.480 437 F N 2.319 122.315 119.950 0.076 0.000 2.146 437 F HA 0.051 4.578 4.527 0.000 0.000 0.298 437 F C 2.289 178.163 175.800 0.123 0.000 1.096 437 F CA 1.281 59.340 58.000 0.099 0.000 1.275 437 F CB -0.368 38.670 39.000 0.065 0.000 1.008 437 F HN 0.088 nan 8.300 nan 0.000 0.480 438 M N 0.284 119.918 119.600 0.057 0.000 2.108 438 M HA -0.199 4.281 4.480 0.000 0.000 0.261 438 M C 2.224 178.465 176.300 -0.099 0.000 1.066 438 M CA 1.663 56.937 55.300 -0.043 0.000 1.107 438 M CB -1.357 31.279 32.600 0.059 0.000 1.356 438 M HN 0.094 nan 8.290 nan 0.000 0.406 439 K N -0.326 120.058 120.400 -0.027 0.000 2.097 439 K HA -0.209 4.111 4.320 0.000 0.000 0.206 439 K C 1.953 178.528 176.600 -0.042 0.000 1.049 439 K CA 1.741 58.016 56.287 -0.020 0.000 0.933 439 K CB -0.579 31.935 32.500 0.024 0.000 0.717 439 K HN 0.375 nan 8.250 nan 0.000 0.442 440 H N -0.054 118.912 119.070 -0.172 0.000 2.267 440 H HA -0.053 4.503 4.556 0.000 0.000 0.297 440 H C 1.958 177.132 175.328 -0.257 0.000 1.080 440 H CA 2.603 58.526 56.048 -0.209 0.000 1.278 440 H CB -0.263 29.336 29.762 -0.271 0.000 1.365 440 H HN 0.190 nan 8.280 nan 0.000 0.489 441 M N 0.056 119.346 119.600 -0.517 0.000 2.089 441 M HA -0.307 4.173 4.480 0.000 0.000 0.257 441 M C 2.359 178.550 176.300 -0.182 0.000 1.071 441 M CA 2.285 57.347 55.300 -0.397 0.000 1.096 441 M CB -0.153 32.226 32.600 -0.369 0.000 1.330 441 M HN 0.494 nan 8.290 nan 0.000 0.403 442 Q N -0.319 119.373 119.800 -0.180 0.000 2.135 442 Q HA -0.185 4.155 4.340 0.000 0.000 0.204 442 Q C 1.667 177.623 176.000 -0.073 0.000 0.981 442 Q CA 1.505 57.241 55.803 -0.112 0.000 0.856 442 Q CB -0.275 28.405 28.738 -0.096 0.000 0.902 442 Q HN 0.560 nan 8.270 nan 0.000 0.425 443 N N 0.293 118.923 118.700 -0.118 0.000 2.171 443 N HA -0.125 4.615 4.740 0.000 0.000 0.184 443 N C 1.581 177.007 175.510 -0.141 0.000 1.021 443 N CA 0.905 53.897 53.050 -0.097 0.000 0.854 443 N CB -0.093 38.356 38.487 -0.064 0.000 0.994 443 N HN 0.226 nan 8.380 nan 0.000 0.426 444 E N 0.383 120.421 120.200 -0.271 0.000 2.077 444 E HA -0.126 4.224 4.350 0.000 0.000 0.193 444 E C 1.869 178.369 176.600 -0.167 0.000 0.989 444 E CA 0.852 57.071 56.400 -0.302 0.000 0.800 444 E CB -0.411 29.008 29.700 -0.470 0.000 0.746 444 E HN 0.455 nan 8.360 nan 0.000 0.452 445 Y N 0.977 121.166 120.300 -0.185 0.000 2.200 445 Y HA -0.107 4.443 4.550 0.000 0.000 0.290 445 Y C 2.616 178.466 175.900 -0.084 0.000 1.137 445 Y CA 1.237 59.270 58.100 -0.112 0.000 1.163 445 Y CB -0.159 38.241 38.460 -0.100 0.000 0.988 445 Y HN -0.036 nan 8.280 nan 0.000 0.518 446 R N -0.585 119.950 120.500 0.058 0.000 2.073 446 R HA -0.148 4.192 4.340 0.000 0.000 0.234 446 R C 2.467 178.757 176.300 -0.018 0.000 1.134 446 R CA 1.247 57.356 56.100 0.015 0.000 0.952 446 R CB -0.558 29.742 30.300 -0.000 0.000 0.850 446 R HN 0.316 nan 8.270 nan 0.000 0.433 447 A N 1.358 124.151 122.820 -0.045 0.000 1.897 447 A HA -0.153 4.167 4.320 0.000 0.000 0.215 447 A C 1.724 179.265 177.584 -0.072 0.000 1.181 447 A CA 1.549 53.553 52.037 -0.056 0.000 0.620 447 A CB -0.105 18.856 19.000 -0.065 0.000 0.821 447 A HN 0.446 nan 8.150 nan 0.000 0.443 448 R N -2.708 117.723 120.500 -0.114 0.000 2.527 448 R HA 0.387 4.727 4.340 0.000 0.000 0.402 448 R C 0.657 176.865 176.300 -0.154 0.000 0.933 448 R CA 0.336 56.365 56.100 -0.119 0.000 1.171 448 R CB -0.714 29.508 30.300 -0.130 0.000 1.612 448 R HN 0.858 nan 8.270 nan 0.000 0.546 449 G N 0.303 108.991 108.800 -0.186 0.000 2.359 449 G HA2 0.072 4.032 3.960 0.000 0.000 0.298 449 G HA3 0.072 4.032 3.960 0.000 0.000 0.298 449 G C 0.224 174.807 174.900 -0.528 0.000 1.030 449 G CA 0.264 45.212 45.100 -0.253 0.000 1.149 449 G HN 0.957 nan 8.290 nan 0.000 0.512 450 G N -2.224 105.957 108.800 -1.033 0.000 2.350 450 G HA2 0.558 4.518 3.960 0.000 0.000 0.305 450 G HA3 0.558 4.518 3.960 0.000 0.000 0.305 450 G C -0.694 173.832 174.900 -0.624 0.000 1.479 450 G CA 0.294 44.806 45.100 -0.981 0.000 0.949 450 G HN 2.103 nan 8.290 nan 0.000 0.651 451 C N 2.412 121.554 119.300 -0.264 0.000 3.080 451 C HA 0.583 5.043 4.460 0.000 0.000 0.388 451 C C -2.551 172.373 174.990 -0.110 0.000 1.079 451 C CA -1.054 57.886 59.018 -0.131 0.000 1.289 451 C CB 0.948 28.658 27.740 -0.049 0.000 1.702 451 C HN 0.736 nan 8.230 nan 0.000 0.516 452 P HA 0.307 nan 4.420 nan 0.000 0.260 452 P C -0.404 176.780 177.300 -0.193 0.000 1.207 452 P CA 0.902 63.604 63.100 -0.663 0.000 0.780 452 P CB 0.639 31.895 31.700 -0.740 0.000 0.789 453 A N 3.247 126.027 122.820 -0.067 0.000 2.393 453 A HA 0.440 4.760 4.320 0.000 0.000 0.306 453 A C -0.785 176.857 177.584 0.098 0.000 1.050 453 A CA -0.578 51.518 52.037 0.098 0.000 0.724 453 A CB 1.256 20.424 19.000 0.281 0.000 1.248 453 A HN 0.432 nan 8.150 nan 0.000 0.424 454 D N 2.044 122.496 120.400 0.088 0.000 2.454 454 D HA 0.141 4.781 4.640 0.000 0.000 0.225 454 D C 0.656 177.086 176.300 0.217 0.000 1.081 454 D CA -0.487 53.599 54.000 0.143 0.000 0.864 454 D CB 0.536 41.386 40.800 0.083 0.000 1.040 454 D HN 0.622 nan 8.370 nan 0.000 0.517 455 W N 4.623 125.959 121.300 0.060 0.000 2.338 455 W HA -0.160 4.500 4.660 0.000 0.000 0.304 455 W C 1.783 178.329 176.519 0.045 0.000 1.212 455 W CA 1.068 58.431 57.345 0.031 0.000 1.264 455 W CB -0.046 29.410 29.460 -0.007 0.000 1.142 455 W HN 0.476 nan 8.180 nan 0.000 0.512 456 I N -0.928 119.912 120.570 0.449 0.000 2.423 456 I HA -0.292 3.878 4.170 0.000 0.000 0.254 456 I C 1.595 177.771 176.117 0.098 0.000 1.151 456 I CA 1.329 62.820 61.300 0.319 0.000 1.421 456 I CB -0.594 37.625 38.000 0.365 0.000 1.079 456 I HN 0.126 nan 8.210 nan 0.000 0.431 457 W N -0.021 121.248 121.300 -0.050 0.000 2.762 457 W HA 0.170 4.830 4.660 0.000 0.000 0.265 457 W C 2.158 178.557 176.519 -0.200 0.000 1.263 457 W CA 0.097 57.384 57.345 -0.097 0.000 1.411 457 W CB -0.172 29.256 29.460 -0.054 0.000 1.065 457 W HN -0.083 nan 8.180 nan 0.000 0.609 458 L N -0.119 121.043 121.223 -0.101 0.000 2.313 458 L HA 0.031 4.371 4.340 0.000 0.000 0.214 458 L C 0.544 177.185 176.870 -0.382 0.000 1.119 458 L CA 0.304 54.962 54.840 -0.303 0.000 0.809 458 L CB -0.746 41.055 42.059 -0.431 0.000 0.933 458 L HN -0.395 nan 8.230 nan 0.000 0.449 459 V N 1.354 120.967 119.914 -0.501 0.000 2.455 459 V HA 0.151 4.271 4.120 0.000 0.000 0.273 459 V C -1.870 174.019 176.094 -0.342 0.000 1.045 459 V CA -1.377 60.610 62.300 -0.521 0.000 0.976 459 V CB 0.526 31.833 31.823 -0.860 0.000 0.993 459 V HN 0.028 nan 8.190 nan 0.000 0.475 460 P HA 0.094 nan 4.420 nan 0.000 0.268 460 P C -1.825 175.339 177.300 -0.227 0.000 1.208 460 P CA -0.941 62.026 63.100 -0.221 0.000 0.777 460 P CB 0.093 31.708 31.700 -0.141 0.000 0.875 461 P HA -0.037 nan 4.420 nan 0.000 0.242 461 P C -0.153 177.037 177.300 -0.183 0.000 1.197 461 P CA 0.841 63.813 63.100 -0.213 0.000 0.765 461 P CB 0.104 31.668 31.700 -0.226 0.000 0.936 462 V N -6.774 113.019 119.914 -0.200 0.000 3.188 462 V HA 0.547 4.667 4.120 0.000 0.000 0.305 462 V C 0.234 176.277 176.094 -0.084 0.000 1.232 462 V CA -0.939 61.273 62.300 -0.145 0.000 1.043 462 V CB 1.299 33.022 31.823 -0.167 0.000 1.068 462 V HN -0.150 nan 8.190 nan 0.000 0.439 463 S N 0.777 116.460 115.700 -0.028 0.000 3.581 463 S HA -0.186 4.284 4.470 0.000 0.000 0.354 463 S C 1.518 176.076 174.600 -0.070 0.000 1.059 463 S CA 1.273 59.476 58.200 0.005 0.000 1.060 463 S CB -1.563 61.709 63.200 0.120 0.000 0.908 463 S HN 2.091 nan 8.310 nan 0.000 0.475 464 G N 2.473 111.197 108.800 -0.127 0.000 2.777 464 G HA2 -0.337 3.623 3.960 0.000 0.000 0.217 464 G HA3 -0.337 3.623 3.960 0.000 0.000 0.217 464 G C 1.448 176.124 174.900 -0.373 0.000 1.295 464 G CA 1.602 46.592 45.100 -0.183 0.000 0.800 464 G HN 1.287 nan 8.290 nan 0.000 0.637 465 S N 0.248 115.468 115.700 -0.801 0.000 2.555 465 S HA 0.057 4.527 4.470 0.000 0.000 0.230 465 S C 2.074 176.616 174.600 -0.096 0.000 0.978 465 S CA 0.700 58.377 58.200 -0.871 0.000 0.934 465 S CB -0.044 62.590 63.200 -0.944 0.000 0.766 465 S HN 0.219 nan 8.310 nan 0.000 0.533 466 I N 2.835 123.369 120.570 -0.060 0.000 2.617 466 I HA 0.011 4.182 4.170 0.000 0.000 0.256 466 I C 1.548 177.745 176.117 0.134 0.000 1.167 466 I CA 0.756 62.099 61.300 0.072 0.000 1.469 466 I CB -2.000 36.065 38.000 0.109 0.000 1.098 466 I HN 0.486 nan 8.210 nan 0.000 0.436 467 T N -0.369 114.235 114.554 0.084 0.000 2.882 467 T HA 0.282 4.632 4.350 0.000 0.000 0.287 467 T C -1.299 173.525 174.700 0.206 0.000 0.992 467 T CA -1.694 60.467 62.100 0.101 0.000 1.076 467 T CB 2.110 70.974 68.868 -0.006 0.000 0.961 467 T HN -0.043 nan 8.240 nan 0.000 0.490 468 P HA -0.077 nan 4.420 nan 0.000 0.220 468 P C 1.693 179.178 177.300 0.309 0.000 1.148 468 P CA 0.486 63.767 63.100 0.302 0.000 0.803 468 P CB -0.101 31.718 31.700 0.199 0.000 0.782 469 V N -0.323 119.717 119.914 0.210 0.000 2.469 469 V HA -0.230 3.890 4.120 0.000 0.000 0.251 469 V C 2.372 178.554 176.094 0.147 0.000 1.064 469 V CA 1.711 64.109 62.300 0.164 0.000 1.066 469 V CB -1.503 30.337 31.823 0.028 0.000 0.667 469 V HN -0.010 nan 8.190 nan 0.000 0.461 470 F N 1.051 120.961 119.950 -0.066 0.000 2.216 470 F HA -0.211 4.316 4.527 0.000 0.000 0.300 470 F C 2.155 178.052 175.800 0.160 0.000 1.085 470 F CA 2.113 60.097 58.000 -0.026 0.000 1.326 470 F CB -0.249 38.586 39.000 -0.276 0.000 1.027 470 F HN 0.354 nan 8.300 nan 0.000 0.497 471 H N -1.636 117.749 119.070 0.525 0.000 2.548 471 H HA 0.116 4.672 4.556 0.000 0.000 0.265 471 H C 0.409 175.955 175.328 0.365 0.000 0.969 471 H CA 0.180 56.482 56.048 0.422 0.000 1.155 471 H CB -0.066 29.939 29.762 0.404 0.000 1.394 471 H HN 0.163 nan 8.280 nan 0.000 0.570 472 Q N 1.987 122.026 119.800 0.398 0.000 2.296 472 Q HA 0.122 4.462 4.340 0.000 0.000 0.257 472 Q C -0.698 175.480 176.000 0.297 0.000 0.942 472 Q CA -0.346 55.639 55.803 0.302 0.000 0.939 472 Q CB 0.610 29.498 28.738 0.251 0.000 1.198 472 Q HN 0.331 nan 8.270 nan 0.000 0.429 473 E N 3.916 124.243 120.200 0.213 0.000 2.383 473 E HA 0.342 4.692 4.350 0.000 0.000 0.264 473 E C -0.420 176.268 176.600 0.147 0.000 1.050 473 E CA 0.055 56.539 56.400 0.139 0.000 0.896 473 E CB 0.702 30.480 29.700 0.131 0.000 0.982 473 E HN 0.675 nan 8.360 nan 0.000 0.424 474 M N 0.895 120.587 119.600 0.153 0.000 2.470 474 M HA 0.419 4.899 4.480 0.000 0.000 0.285 474 M C -1.536 174.863 176.300 0.165 0.000 1.213 474 M CA -0.862 54.554 55.300 0.194 0.000 0.901 474 M CB 1.337 34.103 32.600 0.277 0.000 1.718 474 M HN 0.233 nan 8.290 nan 0.000 0.469 475 L N 2.491 123.833 121.223 0.199 0.000 2.289 475 L HA 0.473 4.814 4.340 0.000 0.000 0.285 475 L C -0.489 176.504 176.870 0.204 0.000 1.049 475 L CA -0.533 54.445 54.840 0.229 0.000 0.804 475 L CB 1.341 43.588 42.059 0.313 0.000 1.195 475 L HN 0.756 nan 8.230 nan 0.000 0.428 476 N N 3.529 122.340 118.700 0.184 0.000 2.421 476 N HA 0.503 5.243 4.740 0.000 0.000 0.285 476 N C -1.550 174.065 175.510 0.175 0.000 1.027 476 N CA -0.185 52.904 53.050 0.064 0.000 0.918 476 N CB 0.860 39.388 38.487 0.070 0.000 1.152 476 N HN 0.389 nan 8.380 nan 0.000 0.485 477 Y N -0.248 120.068 120.300 0.027 0.000 2.465 477 Y HA 0.374 4.924 4.550 0.000 0.000 0.323 477 Y C -1.408 174.466 175.900 -0.044 0.000 1.191 477 Y CA -1.348 56.748 58.100 -0.007 0.000 1.082 477 Y CB 0.075 38.545 38.460 0.017 0.000 1.334 477 Y HN 0.033 nan 8.280 nan 0.000 0.449 478 V N 5.339 125.225 119.914 -0.046 0.000 2.415 478 V HA 0.222 4.342 4.120 0.000 0.000 0.267 478 V C 0.480 176.448 176.094 -0.210 0.000 1.042 478 V CA -0.004 62.056 62.300 -0.399 0.000 1.000 478 V CB -0.135 31.256 31.823 -0.720 0.000 1.015 478 V HN 0.812 nan 8.190 nan 0.000 0.478 479 L N 3.241 124.416 121.223 -0.080 0.000 2.926 479 L HA 0.712 5.052 4.340 0.000 0.000 0.183 479 L C 0.452 177.331 176.870 0.015 0.000 1.766 479 L CA -0.376 54.486 54.840 0.038 0.000 2.062 479 L CB 0.987 43.113 42.059 0.112 0.000 2.755 479 L HN 0.614 nan 8.230 nan 0.000 0.584 480 S N -1.143 114.606 115.700 0.081 0.000 2.548 480 S HA 0.448 4.918 4.470 0.000 0.000 0.278 480 S C -2.696 171.979 174.600 0.125 0.000 1.150 480 S CA -0.906 57.355 58.200 0.101 0.000 0.907 480 S CB 1.684 64.924 63.200 0.067 0.000 1.108 480 S HN 0.106 nan 8.310 nan 0.000 0.459 481 P HA 0.477 nan 4.420 nan 0.000 0.271 481 P C -1.197 176.128 177.300 0.041 0.000 1.238 481 P CA -0.047 63.070 63.100 0.028 0.000 0.794 481 P CB 0.247 31.913 31.700 -0.056 0.000 0.959 482 F N -0.499 119.308 119.950 -0.238 0.000 2.703 482 F HA 0.390 4.917 4.527 0.000 0.000 0.308 482 F C -1.780 173.805 175.800 -0.358 0.000 1.126 482 F CA -0.764 57.024 58.000 -0.354 0.000 0.959 482 F CB 1.007 39.805 39.000 -0.337 0.000 1.297 482 F HN 0.138 nan 8.300 nan 0.000 0.441 483 Y N 4.543 124.437 120.300 -0.677 0.000 2.434 483 Y HA 0.440 4.990 4.550 0.000 0.000 0.341 483 Y C -0.853 174.834 175.900 -0.355 0.000 0.965 483 Y CA -0.782 57.115 58.100 -0.339 0.000 1.205 483 Y CB 0.215 38.465 38.460 -0.350 0.000 1.121 483 Y HN 0.358 nan 8.280 nan 0.000 0.507 484 Y N 1.209 121.640 120.300 0.219 0.000 2.432 484 Y HA 0.365 4.915 4.550 0.000 0.000 0.322 484 Y C -0.181 175.810 175.900 0.152 0.000 1.246 484 Y CA -0.974 57.238 58.100 0.187 0.000 1.268 484 Y CB 0.661 39.243 38.460 0.204 0.000 1.276 484 Y HN 0.383 nan 8.280 nan 0.000 0.499 485 Y N 0.499 120.958 120.300 0.265 0.000 2.326 485 Y HA 0.371 4.921 4.550 0.000 0.000 0.324 485 Y C 0.047 176.008 175.900 0.101 0.000 1.291 485 Y CA -1.402 56.769 58.100 0.117 0.000 1.348 485 Y CB 0.639 39.136 38.460 0.061 0.000 1.294 485 Y HN 0.450 nan 8.280 nan 0.000 0.525 486 Q N 0.751 120.662 119.800 0.185 0.000 2.458 486 Q HA 0.464 4.804 4.340 0.000 0.000 0.282 486 Q C -1.203 174.758 176.000 -0.065 0.000 1.106 486 Q CA -1.217 54.616 55.803 0.050 0.000 0.814 486 Q CB 2.640 31.384 28.738 0.011 0.000 1.425 486 Q HN 0.355 nan 8.270 nan 0.000 0.437 487 I N 1.891 122.394 120.570 -0.113 0.000 2.556 487 I HA -0.006 4.164 4.170 0.000 0.000 0.284 487 I C 0.496 176.390 176.117 -0.372 0.000 1.114 487 I CA 0.343 61.523 61.300 -0.200 0.000 1.418 487 I CB 0.193 38.092 38.000 -0.168 0.000 1.394 487 I HN 0.604 nan 8.210 nan 0.000 0.552 488 E N 9.008 128.885 120.200 -0.539 0.000 2.752 488 E HA -0.095 4.255 4.350 0.000 0.000 0.241 488 E C -1.219 174.718 176.600 -1.106 0.000 1.016 488 E CA -0.859 54.932 56.400 -1.015 0.000 0.952 488 E CB 0.197 29.044 29.700 -1.422 0.000 0.921 488 E HN 0.409 nan 8.360 nan 0.000 0.515 489 P HA -0.223 nan 4.420 nan 0.000 0.218 489 P C 0.923 177.638 177.300 -0.975 0.000 1.152 489 P CA 1.691 64.217 63.100 -0.957 0.000 0.857 489 P CB -0.217 30.689 31.700 -1.323 0.000 0.787 490 W N 0.550 121.308 121.300 -0.903 0.000 2.825 490 W HA 0.160 4.820 4.660 0.000 0.000 0.243 490 W C 1.725 178.194 176.519 -0.083 0.000 1.293 490 W CA 0.260 57.327 57.345 -0.463 0.000 1.403 490 W CB -1.162 28.215 29.460 -0.137 0.000 1.134 490 W HN -0.078 nan 8.180 nan 0.000 0.666 491 K N 0.656 120.880 120.400 -0.294 0.000 2.063 491 K HA 0.009 4.329 4.320 0.000 0.000 0.204 491 K C 1.220 177.797 176.600 -0.038 0.000 1.039 491 K CA 1.570 57.792 56.287 -0.107 0.000 0.957 491 K CB -0.622 31.742 32.500 -0.226 0.000 0.764 491 K HN 0.089 nan 8.250 nan 0.000 0.447 492 T N -0.280 114.208 114.554 -0.109 0.000 3.540 492 T HA 0.160 4.510 4.350 0.000 0.000 0.269 492 T C -0.815 173.891 174.700 0.010 0.000 1.481 492 T CA -0.572 61.499 62.100 -0.049 0.000 1.224 492 T CB -0.412 68.410 68.868 -0.077 0.000 1.192 492 T HN 0.140 nan 8.240 nan 0.000 0.756 493 H N 2.199 121.230 119.070 -0.064 0.000 3.013 493 H HA 0.472 5.028 4.556 0.000 0.000 0.326 493 H C -0.114 175.163 175.328 -0.085 0.000 0.973 493 H CA -1.292 54.706 56.048 -0.083 0.000 1.369 493 H CB 0.807 30.521 29.762 -0.079 0.000 1.598 493 H HN 0.556 nan 8.280 nan 0.000 0.518 494 I N 2.241 122.503 120.570 -0.515 0.000 2.389 494 I HA 0.189 4.359 4.170 0.000 0.000 0.295 494 I C -0.309 175.536 176.117 -0.453 0.000 1.117 494 I CA -0.515 60.594 61.300 -0.319 0.000 1.317 494 I CB -0.089 37.807 38.000 -0.174 0.000 1.431 494 I HN 0.412 nan 8.210 nan 0.000 0.521 495 W N 5.275 126.476 121.300 -0.166 0.000 2.123 495 W HA 0.131 4.791 4.660 0.000 0.000 0.351 495 W C 1.257 177.759 176.519 -0.029 0.000 1.292 495 W CA -0.108 57.220 57.345 -0.028 0.000 1.263 495 W CB 0.499 30.009 29.460 0.085 0.000 1.165 495 W HN 0.568 nan 8.180 nan 0.000 0.590 496 Q N 1.036 121.041 119.800 0.342 0.000 2.322 496 Q HA 0.197 4.537 4.340 0.000 0.000 0.250 496 Q C 0.583 176.690 176.000 0.178 0.000 0.853 496 Q CA 0.582 56.497 55.803 0.188 0.000 0.951 496 Q CB 0.501 29.316 28.738 0.127 0.000 1.114 496 Q HN 0.632 nan 8.270 nan 0.000 0.523 497 N N 0.000 118.848 118.700 0.247 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.114 53.050 0.107 0.000 0.885 497 N CB 0.000 38.532 38.487 0.075 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667