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 1r35_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ 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 0.000 176.155 176.000 0.258 0.000 1.003 77 Q CA 0.000 55.859 55.803 0.094 0.000 1.022 77 Q CB 0.000 28.622 28.738 -0.194 0.000 1.108 78 Y N 0.338 120.743 120.300 0.176 0.000 2.379 78 Y HA 0.621 5.171 4.550 0.000 0.000 0.337 78 Y C -0.339 175.588 175.900 0.045 0.000 1.238 78 Y CA -1.116 57.063 58.100 0.131 0.000 1.405 78 Y CB 0.606 39.081 38.460 0.024 0.000 1.310 78 Y HN 0.326 nan 8.280 nan 0.000 0.569 79 V N 5.061 125.120 119.914 0.242 0.000 2.394 79 V HA 0.358 4.478 4.120 0.000 0.000 0.282 79 V C 0.201 176.427 176.094 0.221 0.000 1.031 79 V CA -0.993 61.357 62.300 0.082 0.000 0.881 79 V CB 0.944 32.634 31.823 -0.221 0.000 0.982 79 V HN 0.823 nan 8.190 nan 0.000 0.451 80 R N 3.356 124.009 120.500 0.254 0.000 2.389 80 R HA 0.501 4.841 4.340 0.000 0.000 0.295 80 R C -1.025 175.342 176.300 0.111 0.000 1.075 80 R CA -0.276 55.980 56.100 0.260 0.000 1.005 80 R CB 0.574 31.032 30.300 0.264 0.000 0.987 80 R HN 0.586 nan 8.270 nan 0.000 0.452 81 I N 3.269 123.873 120.570 0.056 0.000 2.545 81 I HA 0.336 4.507 4.170 0.000 0.000 0.292 81 I C -0.768 175.316 176.117 -0.056 0.000 1.040 81 I CA -0.400 60.907 61.300 0.012 0.000 1.068 81 I CB 1.813 39.819 38.000 0.009 0.000 1.251 81 I HN 0.500 nan 8.210 nan 0.000 0.424 82 K N 4.899 125.250 120.400 -0.081 0.000 2.318 82 K HA 0.449 4.769 4.320 0.000 0.000 0.249 82 K C -1.068 175.399 176.600 -0.222 0.000 0.942 82 K CA -0.737 55.406 56.287 -0.241 0.000 0.808 82 K CB 1.388 33.596 32.500 -0.488 0.000 1.189 82 K HN 0.571 nan 8.250 nan 0.000 0.428 83 N N 3.752 122.310 118.700 -0.237 0.000 2.469 83 N HA 0.104 4.844 4.740 0.000 0.000 0.253 83 N C -0.203 175.216 175.510 -0.152 0.000 0.970 83 N CA -0.347 52.645 53.050 -0.096 0.000 0.940 83 N CB 0.450 38.907 38.487 -0.051 0.000 1.128 83 N HN 0.645 nan 8.380 nan 0.000 0.503 84 W N 2.400 123.707 121.300 0.011 0.000 2.699 84 W HA 0.183 4.843 4.660 0.000 0.000 0.249 84 W C 2.073 178.596 176.519 0.007 0.000 1.280 84 W CA 0.301 57.653 57.345 0.013 0.000 1.345 84 W CB 0.168 29.637 29.460 0.016 0.000 1.128 84 W HN 0.669 nan 8.180 nan 0.000 0.642 85 G N -0.573 108.329 108.800 0.169 0.000 2.453 85 G HA2 -0.153 3.807 3.960 0.000 0.000 0.215 85 G HA3 -0.153 3.807 3.960 0.000 0.000 0.215 85 G C 1.470 176.402 174.900 0.054 0.000 1.147 85 G CA 1.218 46.380 45.100 0.103 0.000 0.802 85 G HN 0.274 nan 8.290 nan 0.000 0.535 86 S N -1.681 114.030 115.700 0.020 0.000 2.526 86 S HA 0.395 4.865 4.470 0.000 0.000 0.220 86 S C 1.814 176.392 174.600 -0.038 0.000 1.017 86 S CA 1.039 59.235 58.200 -0.007 0.000 0.930 86 S CB 0.461 63.651 63.200 -0.017 0.000 0.856 86 S HN 1.445 nan 8.310 nan 0.000 0.497 87 G N 1.477 110.232 108.800 -0.075 0.000 2.184 87 G HA2 -0.326 3.634 3.960 0.000 0.000 0.264 87 G HA3 -0.326 3.634 3.960 0.000 0.000 0.264 87 G C -0.138 174.666 174.900 -0.160 0.000 0.975 87 G CA 0.454 45.471 45.100 -0.138 0.000 0.642 87 G HN 0.757 nan 8.290 nan 0.000 0.536 88 E N -0.090 120.031 120.200 -0.132 0.000 2.373 88 E HA 0.470 4.820 4.350 0.000 0.000 0.267 88 E C -0.232 176.266 176.600 -0.170 0.000 1.032 88 E CA -0.529 55.793 56.400 -0.131 0.000 0.889 88 E CB 0.280 29.921 29.700 -0.097 0.000 0.984 88 E HN 0.203 nan 8.360 nan 0.000 0.425 89 I N 4.217 124.679 120.570 -0.181 0.000 2.530 89 I HA 0.343 4.513 4.170 0.000 0.000 0.297 89 I C -0.561 175.390 176.117 -0.277 0.000 1.011 89 I CA -0.379 60.794 61.300 -0.211 0.000 1.107 89 I CB 1.568 39.450 38.000 -0.196 0.000 1.285 89 I HN 0.471 nan 8.210 nan 0.000 0.436 90 L N 4.950 126.021 121.223 -0.254 0.000 2.371 90 L HA 0.526 4.866 4.340 0.000 0.000 0.262 90 L C -1.049 175.681 176.870 -0.232 0.000 1.006 90 L CA -0.824 53.851 54.840 -0.274 0.000 0.818 90 L CB 2.082 44.062 42.059 -0.131 0.000 1.354 90 L HN 0.553 nan 8.230 nan 0.000 0.415 91 H N 0.697 119.668 119.070 -0.165 0.000 2.551 91 H HA 0.184 4.740 4.556 0.000 0.000 0.321 91 H C -1.065 174.234 175.328 -0.047 0.000 1.028 91 H CA -0.706 55.215 56.048 -0.211 0.000 1.215 91 H CB 1.854 31.255 29.762 -0.601 0.000 1.414 91 H HN 0.408 nan 8.280 nan 0.000 0.480 92 D N 2.762 123.256 120.400 0.157 0.000 2.313 92 D HA 0.012 4.653 4.640 0.000 0.000 0.239 92 D C 0.800 177.263 176.300 0.272 0.000 1.142 92 D CA -0.006 54.077 54.000 0.137 0.000 0.847 92 D CB 1.297 42.110 40.800 0.022 0.000 1.082 92 D HN 0.737 nan 8.370 nan 0.000 0.480 93 T N 1.030 115.730 114.554 0.243 0.000 2.999 93 T HA -0.056 4.294 4.350 0.000 0.000 0.247 93 T C 1.924 176.662 174.700 0.064 0.000 1.012 93 T CA -0.236 61.988 62.100 0.206 0.000 1.048 93 T CB -0.038 68.969 68.868 0.233 0.000 1.020 93 T HN 0.242 nan 8.240 nan 0.000 0.478 94 L N 3.101 124.387 121.223 0.106 0.000 2.189 94 L HA -0.101 4.239 4.340 0.000 0.000 0.214 94 L C 2.324 179.205 176.870 0.019 0.000 1.097 94 L CA 2.170 57.047 54.840 0.061 0.000 0.764 94 L CB -0.952 41.148 42.059 0.068 0.000 0.900 94 L HN 0.708 nan 8.230 nan 0.000 0.436 95 H N -3.880 115.136 119.070 -0.090 0.000 2.489 95 H HA -0.169 4.387 4.556 0.000 0.000 0.295 95 H C 1.850 177.137 175.328 -0.069 0.000 1.082 95 H CA 1.750 57.741 56.048 -0.095 0.000 1.295 95 H CB -0.859 28.824 29.762 -0.131 0.000 1.380 95 H HN 0.554 nan 8.280 nan 0.000 0.548 96 H N 0.788 119.550 119.070 -0.514 0.000 2.489 96 H HA -0.006 4.550 4.556 0.000 0.000 0.293 96 H C 1.268 176.514 175.328 -0.137 0.000 1.066 96 H CA 0.869 56.703 56.048 -0.355 0.000 1.305 96 H CB 0.308 29.887 29.762 -0.306 0.000 1.386 96 H HN 0.292 nan 8.280 nan 0.000 0.551 97 K N 0.757 121.169 120.400 0.020 0.000 2.487 97 K HA 0.199 4.519 4.320 0.000 0.000 0.192 97 K C 0.743 177.357 176.600 0.024 0.000 1.027 97 K CA 0.175 56.478 56.287 0.026 0.000 1.054 97 K CB 0.152 32.669 32.500 0.027 0.000 0.824 97 K HN 0.160 nan 8.250 nan 0.000 0.510 98 A N 1.967 124.802 122.820 0.025 0.000 2.561 98 A HA 0.035 4.355 4.320 0.000 0.000 0.234 98 A C 1.623 179.223 177.584 0.028 0.000 1.055 98 A CA 0.593 52.650 52.037 0.034 0.000 0.756 98 A CB 0.095 19.125 19.000 0.050 0.000 0.986 98 A HN 0.431 nan 8.150 nan 0.000 0.505 99 T N 0.099 114.667 114.554 0.024 0.000 2.833 99 T HA 0.011 4.361 4.350 0.000 0.000 0.269 99 T C 0.953 175.665 174.700 0.020 0.000 1.054 99 T CA 1.585 63.697 62.100 0.019 0.000 1.135 99 T CB -0.262 68.615 68.868 0.016 0.000 0.869 99 T HN 0.502 nan 8.240 nan 0.000 0.466 109 C N 2.884 122.192 119.300 0.014 0.000 2.273 109 C HA 0.626 5.087 4.460 0.000 0.000 0.328 109 C C 0.656 175.657 174.990 0.018 0.000 1.275 109 C CA -0.764 58.264 59.018 0.018 0.000 1.704 109 C CB -0.789 26.960 27.740 0.016 0.000 2.326 109 C HN 0.796 nan 8.230 nan 0.000 0.517 110 L N 6.497 127.737 121.223 0.028 0.000 2.737 110 L HA 0.218 4.558 4.340 0.000 0.000 0.236 110 L C 2.013 178.924 176.870 0.068 0.000 1.219 110 L CA 0.762 55.627 54.840 0.043 0.000 1.021 110 L CB -1.272 40.813 42.059 0.042 0.000 1.291 110 L HN 1.090 nan 8.230 nan 0.000 0.470 111 G N 0.900 109.738 108.800 0.063 0.000 2.446 111 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 111 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 111 G C 1.409 176.381 174.900 0.122 0.000 1.168 111 G CA 1.099 46.248 45.100 0.081 0.000 0.771 111 G HN 0.543 nan 8.290 nan 0.000 0.551 112 S N 0.116 115.891 115.700 0.123 0.000 2.710 112 S HA 0.345 4.815 4.470 0.000 0.000 0.224 112 S C 0.600 175.319 174.600 0.197 0.000 0.948 112 S CA -0.599 57.699 58.200 0.164 0.000 0.949 112 S CB -0.172 63.112 63.200 0.140 0.000 0.778 112 S HN 0.062 nan 8.310 nan 0.000 0.498 113 I N 2.384 123.064 120.570 0.183 0.000 2.416 113 I HA 0.197 4.367 4.170 0.000 0.000 0.288 113 I C 1.587 177.853 176.117 0.249 0.000 1.051 113 I CA -0.116 61.312 61.300 0.214 0.000 1.375 113 I CB 0.456 38.553 38.000 0.162 0.000 1.407 113 I HN 0.322 nan 8.210 nan 0.000 0.516 114 M N 5.083 124.866 119.600 0.305 0.000 2.077 114 M HA -0.143 4.337 4.480 0.000 0.000 0.261 114 M C 0.206 176.633 176.300 0.211 0.000 1.070 114 M CA 1.879 57.325 55.300 0.243 0.000 1.125 114 M CB -0.303 32.316 32.600 0.031 0.000 1.339 114 M HN 0.556 nan 8.290 nan 0.000 0.409 115 N N 1.048 119.874 118.700 0.209 0.000 3.012 115 N HA 0.250 4.990 4.740 0.000 0.000 0.270 115 N C -2.492 173.138 175.510 0.201 0.000 1.469 115 N CA -1.048 52.105 53.050 0.172 0.000 0.928 115 N CB 0.396 38.903 38.487 0.033 0.000 1.219 115 N HN 0.192 nan 8.380 nan 0.000 0.492 116 P HA 0.117 nan 4.420 nan 0.000 0.276 116 P C 0.365 177.755 177.300 0.151 0.000 1.244 116 P CA -0.454 62.737 63.100 0.152 0.000 0.801 116 P CB 1.686 33.461 31.700 0.125 0.000 1.006 117 K N 0.779 121.243 120.400 0.107 0.000 2.152 117 K HA -0.087 4.233 4.320 0.000 0.000 0.206 117 K C 1.910 178.566 176.600 0.094 0.000 1.048 117 K CA 1.841 58.181 56.287 0.089 0.000 0.933 117 K CB -0.713 31.819 32.500 0.052 0.000 0.721 117 K HN 0.610 nan 8.250 nan 0.000 0.447 118 S N 0.449 116.202 115.700 0.088 0.000 2.469 118 S HA -0.102 4.368 4.470 0.000 0.000 0.238 118 S C 1.553 176.240 174.600 0.144 0.000 0.998 118 S CA 0.754 59.002 58.200 0.081 0.000 0.957 118 S CB -0.026 63.203 63.200 0.049 0.000 0.764 118 S HN 0.074 nan 8.310 nan 0.000 0.514 119 L N 1.196 122.533 121.223 0.190 0.000 2.693 119 L HA 0.428 4.768 4.340 0.000 0.000 0.235 119 L C 0.160 177.275 176.870 0.408 0.000 1.127 119 L CA 0.493 55.485 54.840 0.253 0.000 0.914 119 L CB 0.061 42.191 42.059 0.118 0.000 1.193 119 L HN 0.216 nan 8.230 nan 0.000 0.502 120 T N 0.386 115.130 114.554 0.316 0.000 2.888 120 T HA 0.516 4.866 4.350 0.000 0.000 0.284 120 T C -0.047 174.672 174.700 0.031 0.000 1.017 120 T CA -0.599 61.648 62.100 0.244 0.000 1.022 120 T CB 2.153 71.127 68.868 0.178 0.000 1.013 120 T HN -0.181 nan 8.240 nan 0.000 0.465 121 R N 1.742 122.229 120.500 -0.021 0.000 2.412 121 R HA 0.463 4.804 4.340 0.000 0.000 0.304 121 R C 0.488 176.750 176.300 -0.063 0.000 1.066 121 R CA -0.466 55.532 56.100 -0.171 0.000 0.923 121 R CB 1.189 31.316 30.300 -0.289 0.000 1.156 121 R HN 0.900 nan 8.270 nan 0.000 0.513 122 G N 3.440 112.203 108.800 -0.062 0.000 2.611 122 G HA2 0.276 4.237 3.960 0.000 0.000 0.273 122 G HA3 0.276 4.237 3.960 0.000 0.000 0.273 122 G C -1.895 172.979 174.900 -0.043 0.000 1.305 122 G CA -0.513 44.560 45.100 -0.045 0.000 1.010 122 G HN 0.300 nan 8.290 nan 0.000 0.509 123 P HA 0.347 nan 4.420 nan 0.000 0.277 123 P C -0.529 176.754 177.300 -0.029 0.000 1.276 123 P CA -0.314 62.768 63.100 -0.028 0.000 0.788 123 P CB 1.195 32.877 31.700 -0.029 0.000 1.114 124 R N -1.408 119.078 120.500 -0.024 0.000 2.831 124 R HA 0.339 4.679 4.340 0.000 0.000 0.266 124 R C -0.257 176.025 176.300 -0.031 0.000 1.051 124 R CA -0.554 55.530 56.100 -0.027 0.000 0.943 124 R CB 1.088 31.374 30.300 -0.025 0.000 1.228 124 R HN 0.316 nan 8.270 nan 0.000 0.467 125 D N -0.264 120.118 120.400 -0.030 0.000 2.502 125 D HA 0.106 4.746 4.640 0.000 0.000 0.232 125 D C -0.902 175.378 176.300 -0.032 0.000 1.137 125 D CA 0.522 54.500 54.000 -0.036 0.000 0.827 125 D CB 0.853 41.637 40.800 -0.027 0.000 1.141 125 D HN 0.406 nan 8.370 nan 0.000 0.517 126 K N -0.296 120.090 120.400 -0.022 0.000 2.575 126 K HA 0.491 4.811 4.320 0.000 0.000 0.279 126 K C -3.049 173.549 176.600 -0.005 0.000 0.969 126 K CA -1.368 54.912 56.287 -0.011 0.000 0.868 126 K CB 2.174 34.670 32.500 -0.006 0.000 1.457 126 K HN -0.326 nan 8.250 nan 0.000 0.426 127 P HA -0.024 nan 4.420 nan 0.000 0.269 127 P C -0.507 176.799 177.300 0.009 0.000 1.217 127 P CA 0.037 63.144 63.100 0.011 0.000 0.783 127 P CB 0.137 31.851 31.700 0.023 0.000 0.898 128 T N 3.535 118.096 114.554 0.012 0.000 2.831 128 T HA 0.112 4.462 4.350 0.000 0.000 0.291 128 T C -2.029 172.682 174.700 0.019 0.000 0.981 128 T CA -0.383 61.727 62.100 0.018 0.000 1.174 128 T CB -1.035 67.853 68.868 0.033 0.000 0.929 128 T HN 0.341 nan 8.240 nan 0.000 0.532 129 P HA 0.052 nan 4.420 nan 0.000 0.262 129 P C 1.039 178.341 177.300 0.003 0.000 1.182 129 P CA -0.085 63.018 63.100 0.004 0.000 0.761 129 P CB 0.427 32.125 31.700 -0.004 0.000 0.795 130 L N 3.672 124.897 121.223 0.004 0.000 2.129 130 L HA -0.246 4.094 4.340 0.000 0.000 0.212 130 L C 2.258 179.117 176.870 -0.019 0.000 1.087 130 L CA 1.570 56.410 54.840 0.001 0.000 0.757 130 L CB -0.317 41.743 42.059 0.002 0.000 0.896 130 L HN 0.481 nan 8.230 nan 0.000 0.434 131 E N 0.369 120.553 120.200 -0.026 0.000 2.106 131 E HA -0.291 4.059 4.350 0.000 0.000 0.192 131 E C 1.623 178.177 176.600 -0.077 0.000 0.984 131 E CA 1.730 58.104 56.400 -0.044 0.000 0.806 131 E CB -0.419 29.259 29.700 -0.038 0.000 0.750 131 E HN 0.821 nan 8.360 nan 0.000 0.458 132 E N 0.899 121.052 120.200 -0.078 0.000 2.190 132 E HA -0.059 4.291 4.350 0.000 0.000 0.191 132 E C 2.351 178.843 176.600 -0.181 0.000 0.978 132 E CA 0.255 56.564 56.400 -0.152 0.000 0.839 132 E CB -0.370 29.278 29.700 -0.087 0.000 0.787 132 E HN 0.173 nan 8.360 nan 0.000 0.473 133 L N 1.194 122.397 121.223 -0.034 0.000 2.027 133 L HA -0.087 4.253 4.340 0.000 0.000 0.206 133 L C 2.252 179.135 176.870 0.022 0.000 1.074 133 L CA 1.313 56.187 54.840 0.056 0.000 0.745 133 L CB -0.648 41.461 42.059 0.083 0.000 0.898 133 L HN 0.246 nan 8.230 nan 0.000 0.433 134 L N 0.959 122.161 121.223 -0.035 0.000 1.978 134 L HA -0.141 4.199 4.340 0.000 0.000 0.218 134 L C -0.498 176.341 176.870 -0.051 0.000 1.075 134 L CA 2.652 57.457 54.840 -0.059 0.000 0.767 134 L CB -2.038 39.986 42.059 -0.059 0.000 0.890 134 L HN 0.270 nan 8.230 nan 0.000 0.434 135 P HA -0.190 nan 4.420 nan 0.000 0.218 135 P C 1.153 178.471 177.300 0.031 0.000 1.148 135 P CA 1.694 64.756 63.100 -0.064 0.000 0.822 135 P CB -0.375 31.247 31.700 -0.129 0.000 0.784 136 H N 0.353 119.455 119.070 0.053 0.000 2.357 136 H HA 0.047 4.603 4.556 0.000 0.000 0.301 136 H C 2.199 177.618 175.328 0.152 0.000 1.082 136 H CA 1.423 57.529 56.048 0.096 0.000 1.342 136 H CB -1.073 28.743 29.762 0.091 0.000 1.389 136 H HN 0.097 nan 8.280 nan 0.000 0.511 137 A N 0.834 123.794 122.820 0.233 0.000 1.877 137 A HA -0.140 4.180 4.320 0.000 0.000 0.216 137 A C 2.497 180.178 177.584 0.162 0.000 1.186 137 A CA 1.607 53.741 52.037 0.161 0.000 0.620 137 A CB -0.706 18.133 19.000 -0.269 0.000 0.822 137 A HN 0.213 nan 8.150 nan 0.000 0.443 138 I N 0.266 120.886 120.570 0.082 0.000 2.208 138 I HA -0.251 3.919 4.170 0.000 0.000 0.245 138 I C 2.369 178.568 176.117 0.137 0.000 1.097 138 I CA 1.805 63.154 61.300 0.082 0.000 1.363 138 I CB -0.627 37.394 38.000 0.034 0.000 1.051 138 I HN 0.429 nan 8.210 nan 0.000 0.413 139 E N -0.461 119.838 120.200 0.165 0.000 2.058 139 E HA -0.280 4.070 4.350 0.000 0.000 0.194 139 E C 2.168 178.894 176.600 0.209 0.000 0.997 139 E CA 1.638 58.142 56.400 0.174 0.000 0.801 139 E CB -0.373 29.446 29.700 0.198 0.000 0.746 139 E HN 0.450 nan 8.360 nan 0.000 0.450 140 F N 1.200 121.246 119.950 0.160 0.000 2.134 140 F HA -0.179 4.349 4.527 0.000 0.000 0.299 140 F C 1.933 177.852 175.800 0.199 0.000 1.097 140 F CA 1.110 59.224 58.000 0.190 0.000 1.264 140 F CB -0.138 38.994 39.000 0.221 0.000 1.001 140 F HN -0.095 nan 8.300 nan 0.000 0.479 141 I N 0.978 121.554 120.570 0.010 0.000 2.361 141 I HA -0.305 3.865 4.170 0.000 0.000 0.251 141 I C 2.109 178.187 176.117 -0.065 0.000 1.133 141 I CA 1.161 62.452 61.300 -0.015 0.000 1.413 141 I CB -0.807 37.315 38.000 0.204 0.000 1.073 141 I HN 0.186 nan 8.210 nan 0.000 0.424 142 N N -0.050 118.649 118.700 -0.002 0.000 2.216 142 N HA -0.203 4.537 4.740 0.000 0.000 0.183 142 N C 1.849 177.251 175.510 -0.181 0.000 1.017 142 N CA 0.923 53.958 53.050 -0.025 0.000 0.861 142 N CB -0.230 38.321 38.487 0.105 0.000 0.986 142 N HN 0.522 nan 8.380 nan 0.000 0.428 143 Q N -0.015 119.699 119.800 -0.145 0.000 2.046 143 Q HA -0.166 4.174 4.340 0.000 0.000 0.200 143 Q C 2.031 177.833 176.000 -0.330 0.000 0.975 143 Q CA 1.166 56.905 55.803 -0.107 0.000 0.836 143 Q CB -0.179 28.605 28.738 0.077 0.000 0.896 143 Q HN 0.473 nan 8.270 nan 0.000 0.428 144 Y N -0.546 119.278 120.300 -0.794 0.000 2.097 144 Y HA -0.317 4.233 4.550 0.000 0.000 0.282 144 Y C 1.597 176.619 175.900 -1.464 0.000 1.152 144 Y CA 1.817 59.090 58.100 -1.378 0.000 1.136 144 Y CB -0.181 37.494 38.460 -1.308 0.000 0.975 144 Y HN 0.194 nan 8.280 nan 0.000 0.498 145 Y N -0.052 119.422 120.300 -1.377 0.000 2.439 145 Y HA -0.027 4.523 4.550 0.000 0.000 0.292 145 Y C 2.485 177.717 175.900 -1.113 0.000 1.130 145 Y CA 1.125 58.253 58.100 -1.620 0.000 1.254 145 Y CB -0.660 36.938 38.460 -1.437 0.000 1.000 145 Y HN 0.244 nan 8.280 nan 0.000 0.554 146 G N -1.721 106.701 108.800 -0.630 0.000 2.511 146 G HA2 -0.145 3.815 3.960 0.000 0.000 0.217 146 G HA3 -0.145 3.815 3.960 0.000 0.000 0.217 146 G C 1.750 176.481 174.900 -0.281 0.000 1.133 146 G CA 0.864 45.769 45.100 -0.325 0.000 0.792 146 G HN 0.308 nan 8.290 nan 0.000 0.539 147 S N 0.734 116.168 115.700 -0.444 0.000 2.383 147 S HA 0.086 4.556 4.470 0.000 0.000 0.227 147 S C 0.573 175.164 174.600 -0.015 0.000 1.026 147 S CA 0.052 58.136 58.200 -0.193 0.000 0.981 147 S CB -0.225 62.822 63.200 -0.256 0.000 0.818 147 S HN 0.196 nan 8.310 nan 0.000 0.472 148 F N 3.039 122.823 119.950 -0.276 0.000 2.608 148 F HA 0.131 4.658 4.527 0.000 0.000 0.380 148 F C 1.493 177.230 175.800 -0.105 0.000 1.083 148 F CA -1.071 56.807 58.000 -0.204 0.000 1.266 148 F CB 0.100 38.958 39.000 -0.237 0.000 1.076 148 F HN -0.040 nan 8.300 nan 0.000 0.574 149 K N 1.680 122.146 120.400 0.111 0.000 2.025 149 K HA -0.109 4.211 4.320 0.000 0.000 0.207 149 K C 0.175 176.804 176.600 0.049 0.000 1.049 149 K CA 1.293 57.613 56.287 0.055 0.000 0.933 149 K CB 0.141 32.657 32.500 0.026 0.000 0.714 149 K HN 0.543 nan 8.250 nan 0.000 0.438 150 E N 1.261 121.485 120.200 0.039 0.000 2.035 150 E HA 0.243 4.593 4.350 0.000 0.000 0.271 150 E C -0.782 175.869 176.600 0.085 0.000 0.953 150 E CA -0.315 56.104 56.400 0.031 0.000 0.777 150 E CB 1.172 30.864 29.700 -0.013 0.000 1.104 150 E HN 0.207 nan 8.360 nan 0.000 0.408 151 A N 3.836 126.718 122.820 0.103 0.000 2.507 151 A HA 0.046 4.366 4.320 0.000 0.000 0.235 151 A C 0.288 177.973 177.584 0.168 0.000 1.070 151 A CA 0.295 52.425 52.037 0.155 0.000 0.768 151 A CB 0.305 19.363 19.000 0.096 0.000 1.011 151 A HN 0.470 nan 8.150 nan 0.000 0.502 152 K N 2.687 123.246 120.400 0.264 0.000 2.753 152 K HA 0.270 4.590 4.320 0.000 0.000 0.185 152 K C -0.145 176.547 176.600 0.153 0.000 1.071 152 K CA -0.302 56.119 56.287 0.223 0.000 0.999 152 K CB 0.587 33.288 32.500 0.335 0.000 1.244 152 K HN 0.587 nan 8.250 nan 0.000 0.594 153 I N 1.061 121.679 120.570 0.080 0.000 2.151 153 I HA -0.339 3.831 4.170 0.000 0.000 0.243 153 I C 2.492 178.580 176.117 -0.048 0.000 1.080 153 I CA 1.654 62.964 61.300 0.016 0.000 1.339 153 I CB -0.205 37.790 38.000 -0.007 0.000 1.039 153 I HN 0.589 nan 8.210 nan 0.000 0.409 154 E N 0.858 121.043 120.200 -0.024 0.000 2.038 154 E HA -0.276 4.074 4.350 0.000 0.000 0.195 154 E C 2.126 178.691 176.600 -0.057 0.000 1.000 154 E CA 1.645 58.021 56.400 -0.039 0.000 0.803 154 E CB -0.052 29.642 29.700 -0.010 0.000 0.750 154 E HN 0.557 nan 8.360 nan 0.000 0.448 155 E N -0.722 119.464 120.200 -0.024 0.000 2.110 155 E HA -0.226 4.124 4.350 0.000 0.000 0.193 155 E C 2.071 178.481 176.600 -0.318 0.000 0.988 155 E CA 1.071 57.459 56.400 -0.019 0.000 0.804 155 E CB -0.270 29.549 29.700 0.198 0.000 0.745 155 E HN 0.493 nan 8.360 nan 0.000 0.458 156 H N 0.897 119.485 119.070 -0.803 0.000 2.293 156 H HA -0.095 4.461 4.556 0.000 0.000 0.300 156 H C 2.251 177.253 175.328 -0.543 0.000 1.082 156 H CA 1.143 56.431 56.048 -1.266 0.000 1.308 156 H CB 0.084 29.326 29.762 -0.868 0.000 1.375 156 H HN 0.060 nan 8.280 nan 0.000 0.495 157 L N 0.303 121.334 121.223 -0.320 0.000 2.046 157 L HA -0.146 4.194 4.340 0.000 0.000 0.208 157 L C 3.073 179.856 176.870 -0.146 0.000 1.077 157 L CA 0.892 55.574 54.840 -0.264 0.000 0.747 157 L CB -0.676 41.260 42.059 -0.206 0.000 0.896 157 L HN 0.388 nan 8.230 nan 0.000 0.432 158 A N 0.361 123.117 122.820 -0.108 0.000 1.902 158 A HA -0.249 4.071 4.320 0.000 0.000 0.217 158 A C 2.393 179.970 177.584 -0.011 0.000 1.181 158 A CA 1.899 53.909 52.037 -0.044 0.000 0.623 158 A CB -0.482 18.510 19.000 -0.014 0.000 0.818 158 A HN 0.279 nan 8.150 nan 0.000 0.443 159 R N -0.081 120.414 120.500 -0.008 0.000 2.092 159 R HA 0.046 4.386 4.340 0.000 0.000 0.231 159 R C 1.886 178.225 176.300 0.065 0.000 1.119 159 R CA 1.402 57.553 56.100 0.086 0.000 0.970 159 R CB -0.876 29.551 30.300 0.211 0.000 0.864 159 R HN 0.513 nan 8.270 nan 0.000 0.440 160 L N 0.514 121.745 121.223 0.014 0.000 2.012 160 L HA -0.189 4.152 4.340 0.000 0.000 0.210 160 L C 2.644 179.501 176.870 -0.022 0.000 1.073 160 L CA 1.952 56.790 54.840 -0.003 0.000 0.748 160 L CB -0.601 41.420 42.059 -0.064 0.000 0.891 160 L HN 0.395 nan 8.230 nan 0.000 0.431 161 E N 0.436 120.618 120.200 -0.030 0.000 2.031 161 E HA -0.266 4.084 4.350 0.000 0.000 0.193 161 E C 2.158 178.755 176.600 -0.004 0.000 0.994 161 E CA 1.513 57.899 56.400 -0.024 0.000 0.800 161 E CB 0.008 29.692 29.700 -0.027 0.000 0.752 161 E HN 0.446 nan 8.360 nan 0.000 0.447 162 A N 0.854 123.684 122.820 0.018 0.000 1.908 162 A HA -0.152 4.168 4.320 0.000 0.000 0.218 162 A C 2.535 180.142 177.584 0.039 0.000 1.181 162 A CA 1.781 53.842 52.037 0.040 0.000 0.627 162 A CB -0.806 18.235 19.000 0.068 0.000 0.818 162 A HN 0.225 nan 8.150 nan 0.000 0.445 163 V N -0.236 119.694 119.914 0.027 0.000 2.295 163 V HA -0.231 3.889 4.120 0.000 0.000 0.246 163 V C 2.747 178.784 176.094 -0.096 0.000 1.049 163 V CA 2.463 64.738 62.300 -0.041 0.000 1.024 163 V CB -1.370 30.381 31.823 -0.120 0.000 0.648 163 V HN 0.623 nan 8.190 nan 0.000 0.447 164 T N -0.442 114.068 114.554 -0.072 0.000 2.684 164 T HA -0.241 4.109 4.350 0.000 0.000 0.267 164 T C 2.034 176.714 174.700 -0.033 0.000 1.036 164 T CA 1.693 63.754 62.100 -0.064 0.000 1.148 164 T CB -0.255 68.585 68.868 -0.047 0.000 0.863 164 T HN 0.262 nan 8.240 nan 0.000 0.436 165 K N 1.067 121.460 120.400 -0.012 0.000 2.057 165 K HA -0.022 4.298 4.320 0.000 0.000 0.207 165 K C 2.267 178.879 176.600 0.019 0.000 1.049 165 K CA 1.190 57.480 56.287 0.004 0.000 0.931 165 K CB -0.333 32.174 32.500 0.011 0.000 0.714 165 K HN 0.495 nan 8.250 nan 0.000 0.440 166 E N 0.331 120.551 120.200 0.034 0.000 2.077 166 E HA -0.173 4.177 4.350 0.000 0.000 0.193 166 E C 1.806 178.446 176.600 0.067 0.000 0.989 166 E CA 1.238 57.678 56.400 0.065 0.000 0.800 166 E CB -0.074 29.694 29.700 0.113 0.000 0.746 166 E HN 0.251 nan 8.360 nan 0.000 0.452 167 I N 0.827 121.421 120.570 0.041 0.000 2.361 167 I HA -0.238 3.932 4.170 0.000 0.000 0.251 167 I C 2.043 178.178 176.117 0.030 0.000 1.133 167 I CA 1.236 62.561 61.300 0.041 0.000 1.413 167 I CB -0.220 37.769 38.000 -0.018 0.000 1.073 167 I HN 0.180 nan 8.210 nan 0.000 0.424 168 E N 0.055 120.265 120.200 0.016 0.000 2.170 168 E HA -0.129 4.221 4.350 0.000 0.000 0.191 168 E C 2.029 178.641 176.600 0.021 0.000 0.981 168 E CA 1.622 58.030 56.400 0.013 0.000 0.830 168 E CB 0.021 29.723 29.700 0.004 0.000 0.775 168 E HN 0.543 nan 8.360 nan 0.000 0.470 169 T N -2.202 112.369 114.554 0.028 0.000 3.065 169 T HA 0.015 4.365 4.350 0.000 0.000 0.252 169 T C 1.788 176.511 174.700 0.038 0.000 1.099 169 T CA 1.097 63.216 62.100 0.031 0.000 1.063 169 T CB 0.203 69.090 68.868 0.032 0.000 0.948 169 T HN 0.183 nan 8.240 nan 0.000 0.506 170 T N -3.720 110.862 114.554 0.048 0.000 3.105 170 T HA 0.572 4.922 4.350 0.000 0.000 0.257 170 T C 1.851 176.584 174.700 0.054 0.000 0.949 170 T CA 0.752 62.883 62.100 0.053 0.000 0.959 170 T CB 0.222 69.129 68.868 0.066 0.000 1.205 170 T HN 0.782 nan 8.240 nan 0.000 0.496 171 G N 1.108 109.944 108.800 0.060 0.000 2.352 171 G HA2 -0.054 3.906 3.960 0.000 0.000 0.204 171 G HA3 -0.054 3.906 3.960 0.000 0.000 0.204 171 G C 0.406 175.356 174.900 0.083 0.000 1.004 171 G CA 0.645 45.780 45.100 0.058 0.000 0.648 171 G HN 1.267 nan 8.290 nan 0.000 0.491 172 T N -1.792 112.830 114.554 0.114 0.000 2.572 172 T HA 0.784 5.135 4.350 0.000 0.000 0.274 172 T C -0.637 174.241 174.700 0.296 0.000 0.949 172 T CA -0.023 62.187 62.100 0.184 0.000 1.126 172 T CB 2.163 71.083 68.868 0.085 0.000 1.478 172 T HN 1.805 nan 8.240 nan 0.000 0.492 173 Y N -1.352 118.961 120.300 0.022 0.000 2.656 173 Y HA 0.817 5.367 4.550 0.000 0.000 0.334 173 Y C -1.609 174.317 175.900 0.043 0.000 1.179 173 Y CA -1.484 56.641 58.100 0.042 0.000 1.050 173 Y CB 0.958 39.456 38.460 0.063 0.000 1.308 173 Y HN 0.668 nan 8.280 nan 0.000 0.456 174 Q N 1.664 121.466 119.800 0.002 0.000 2.282 174 Q HA 0.622 4.962 4.340 0.000 0.000 0.260 174 Q C -1.113 174.864 176.000 -0.038 0.000 0.964 174 Q CA -0.573 55.186 55.803 -0.074 0.000 0.880 174 Q CB 1.848 30.598 28.738 0.021 0.000 1.286 174 Q HN 0.808 nan 8.270 nan 0.000 0.445 175 L N 1.473 122.650 121.223 -0.076 0.000 2.418 175 L HA 0.436 4.776 4.340 0.000 0.000 0.265 175 L C 0.630 177.529 176.870 0.048 0.000 1.143 175 L CA -0.625 54.231 54.840 0.026 0.000 0.809 175 L CB 0.898 42.965 42.059 0.013 0.000 1.124 175 L HN 0.718 nan 8.230 nan 0.000 0.456 176 T N -1.057 113.533 114.554 0.060 0.000 2.882 176 T HA 0.093 4.443 4.350 0.000 0.000 0.287 176 T C 1.196 175.895 174.700 -0.002 0.000 1.014 176 T CA -0.780 61.344 62.100 0.041 0.000 1.049 176 T CB 1.108 70.013 68.868 0.061 0.000 1.001 176 T HN 0.523 nan 8.240 nan 0.000 0.525 177 L N 0.618 121.841 121.223 -0.001 0.000 2.043 177 L HA -0.140 4.200 4.340 0.000 0.000 0.212 177 L C 1.905 178.761 176.870 -0.024 0.000 1.075 177 L CA 2.445 57.271 54.840 -0.023 0.000 0.752 177 L CB -1.276 40.772 42.059 -0.019 0.000 0.891 177 L HN 0.939 nan 8.230 nan 0.000 0.432 178 D N -0.478 119.918 120.400 -0.005 0.000 2.144 178 D HA -0.203 4.437 4.640 0.000 0.000 0.199 178 D C 2.069 178.327 176.300 -0.070 0.000 0.984 178 D CA 1.243 55.256 54.000 0.022 0.000 0.834 178 D CB 0.240 41.105 40.800 0.108 0.000 0.955 178 D HN 0.450 nan 8.370 nan 0.000 0.465 179 E N -0.518 119.522 120.200 -0.267 0.000 2.106 179 E HA -0.141 4.209 4.350 0.000 0.000 0.192 179 E C 1.914 178.566 176.600 0.086 0.000 0.984 179 E CA 0.350 56.529 56.400 -0.369 0.000 0.806 179 E CB -0.005 29.548 29.700 -0.244 0.000 0.750 179 E HN 0.224 nan 8.360 nan 0.000 0.458 180 L N 1.115 122.340 121.223 0.003 0.000 2.017 180 L HA -0.150 4.190 4.340 0.000 0.000 0.208 180 L C 2.009 178.860 176.870 -0.031 0.000 1.073 180 L CA 1.515 56.319 54.840 -0.059 0.000 0.745 180 L CB -0.252 41.721 42.059 -0.143 0.000 0.894 180 L HN 0.128 nan 8.230 nan 0.000 0.432 181 I N -1.204 119.368 120.570 0.003 0.000 2.163 181 I HA -0.350 3.820 4.170 0.000 0.000 0.243 181 I C 2.402 178.594 176.117 0.125 0.000 1.085 181 I CA 1.831 63.147 61.300 0.025 0.000 1.347 181 I CB -0.481 37.537 38.000 0.030 0.000 1.044 181 I HN 0.331 nan 8.210 nan 0.000 0.408 182 F N 1.807 121.800 119.950 0.071 0.000 2.134 182 F HA -0.229 4.298 4.527 0.000 0.000 0.299 182 F C 2.436 178.347 175.800 0.185 0.000 1.097 182 F CA 1.447 59.548 58.000 0.170 0.000 1.264 182 F CB -0.336 38.799 39.000 0.225 0.000 1.001 182 F HN 0.001 nan 8.300 nan 0.000 0.479 183 A N -0.080 122.835 122.820 0.159 0.000 1.902 183 A HA -0.185 4.135 4.320 0.000 0.000 0.217 183 A C 2.268 179.767 177.584 -0.142 0.000 1.181 183 A CA 2.392 54.422 52.037 -0.012 0.000 0.623 183 A CB -1.631 17.320 19.000 -0.081 0.000 0.818 183 A HN 0.539 nan 8.150 nan 0.000 0.443 184 T N -1.732 112.770 114.554 -0.086 0.000 2.821 184 T HA -0.121 4.229 4.350 0.000 0.000 0.267 184 T C 1.796 176.542 174.700 0.075 0.000 1.046 184 T CA 1.598 63.682 62.100 -0.026 0.000 1.139 184 T CB -0.288 68.573 68.868 -0.012 0.000 0.871 184 T HN 0.533 nan 8.240 nan 0.000 0.454 185 K N 0.125 120.577 120.400 0.087 0.000 2.062 185 K HA 0.144 4.464 4.320 0.000 0.000 0.205 185 K C 2.489 179.197 176.600 0.181 0.000 1.051 185 K CA 0.976 57.415 56.287 0.253 0.000 0.941 185 K CB -0.190 32.461 32.500 0.252 0.000 0.719 185 K HN 0.233 nan 8.250 nan 0.000 0.440 186 M N 0.546 120.066 119.600 -0.135 0.000 2.175 186 M HA -0.063 4.417 4.480 0.000 0.000 0.264 186 M C 2.396 178.552 176.300 -0.240 0.000 1.063 186 M CA 1.273 56.389 55.300 -0.307 0.000 1.119 186 M CB -0.919 31.380 32.600 -0.501 0.000 1.377 186 M HN 0.145 nan 8.290 nan 0.000 0.415 187 A N -0.718 121.940 122.820 -0.270 0.000 1.902 187 A HA -0.211 4.109 4.320 0.000 0.000 0.217 187 A C 1.993 179.423 177.584 -0.256 0.000 1.181 187 A CA 1.423 53.169 52.037 -0.485 0.000 0.623 187 A CB -1.109 17.234 19.000 -1.095 0.000 0.818 187 A HN 0.671 nan 8.150 nan 0.000 0.443 188 W N 0.942 122.149 121.300 -0.154 0.000 2.379 188 W HA -0.102 4.558 4.660 0.000 0.000 0.307 188 W C 2.267 178.705 176.519 -0.135 0.000 1.200 188 W CA 1.471 58.782 57.345 -0.057 0.000 1.297 188 W CB -0.675 28.768 29.460 -0.029 0.000 1.140 188 W HN 0.351 nan 8.180 nan 0.000 0.507 189 R N 0.352 120.795 120.500 -0.095 0.000 2.159 189 R HA -0.162 4.178 4.340 0.000 0.000 0.237 189 R C 1.076 177.214 176.300 -0.269 0.000 1.131 189 R CA 1.629 57.491 56.100 -0.397 0.000 0.982 189 R CB -0.421 29.409 30.300 -0.783 0.000 0.868 189 R HN 0.069 nan 8.270 nan 0.000 0.453 190 N N -0.114 118.465 118.700 -0.202 0.000 2.270 190 N HA 0.083 4.823 4.740 0.000 0.000 0.198 190 N C -0.793 174.606 175.510 -0.184 0.000 1.117 190 N CA 0.312 53.275 53.050 -0.145 0.000 0.845 190 N CB 1.179 39.631 38.487 -0.059 0.000 0.980 190 N HN 0.126 nan 8.380 nan 0.000 0.486 191 A N 1.659 124.349 122.820 -0.216 0.000 2.376 191 A HA 0.345 4.665 4.320 0.000 0.000 0.298 191 A C -1.348 176.141 177.584 -0.158 0.000 1.271 191 A CA -1.031 50.824 52.037 -0.304 0.000 0.926 191 A CB 0.543 19.439 19.000 -0.173 0.000 1.141 191 A HN -0.023 nan 8.150 nan 0.000 0.539 192 P HA -0.122 nan 4.420 nan 0.000 0.218 192 P C 0.980 178.218 177.300 -0.103 0.000 1.149 192 P CA 1.098 64.139 63.100 -0.099 0.000 0.817 192 P CB 0.150 31.799 31.700 -0.086 0.000 0.785 193 R N -1.659 118.735 120.500 -0.178 0.000 2.325 193 R HA 0.146 4.486 4.340 0.000 0.000 0.214 193 R C 0.119 176.427 176.300 0.014 0.000 0.961 193 R CA -0.101 55.926 56.100 -0.122 0.000 1.086 193 R CB -0.697 29.299 30.300 -0.507 0.000 1.037 193 R HN 0.207 nan 8.270 nan 0.000 0.493 194 C N 1.237 120.522 119.300 -0.025 0.000 2.298 194 C HA 0.360 4.820 4.460 0.000 0.000 0.323 194 C C 1.815 176.787 174.990 -0.030 0.000 1.284 194 C CA -0.998 58.038 59.018 0.029 0.000 1.577 194 C CB -0.062 27.752 27.740 0.124 0.000 2.249 194 C HN 0.539 nan 8.230 nan 0.000 0.497 195 I N 3.584 124.110 120.570 -0.072 0.000 2.876 195 I HA 0.191 4.361 4.170 0.000 0.000 0.264 195 I C 1.869 178.080 176.117 0.157 0.000 1.204 195 I CA 1.364 62.602 61.300 -0.102 0.000 1.485 195 I CB -0.819 37.133 38.000 -0.080 0.000 1.103 195 I HN 0.781 nan 8.210 nan 0.000 0.446 196 G N 1.212 110.087 108.800 0.125 0.000 2.920 196 G HA2 -0.043 3.917 3.960 0.000 0.000 0.208 196 G HA3 -0.043 3.917 3.960 0.000 0.000 0.208 196 G C 1.546 176.457 174.900 0.017 0.000 1.159 196 G CA -0.283 44.884 45.100 0.112 0.000 0.784 196 G HN 0.286 nan 8.290 nan 0.000 0.535 197 R N -0.242 120.209 120.500 -0.082 0.000 2.388 197 R HA -0.008 4.332 4.340 0.000 0.000 0.233 197 R C 2.048 177.775 176.300 -0.954 0.000 1.156 197 R CA 0.477 56.210 56.100 -0.611 0.000 1.036 197 R CB -0.308 29.726 30.300 -0.444 0.000 0.847 197 R HN 0.457 nan 8.270 nan 0.000 0.483 198 I N 0.362 120.569 120.570 -0.604 0.000 2.830 198 I HA -0.209 3.961 4.170 0.000 0.000 0.263 198 I C 1.178 177.149 176.117 -0.244 0.000 1.230 198 I CA 1.075 62.167 61.300 -0.346 0.000 1.480 198 I CB 0.150 38.119 38.000 -0.052 0.000 1.095 198 I HN 0.224 nan 8.210 nan 0.000 0.455 199 Q N 0.497 120.076 119.800 -0.369 0.000 2.360 199 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 199 Q C 1.604 177.076 176.000 -0.879 0.000 0.915 199 Q CA 0.229 55.810 55.803 -0.370 0.000 0.943 199 Q CB -0.122 28.569 28.738 -0.079 0.000 1.064 199 Q HN 0.756 nan 8.270 nan 0.000 0.511 200 W N 1.170 121.613 121.300 -1.428 0.000 2.292 200 W HA -0.267 4.393 4.660 0.000 0.000 0.304 200 W C 1.376 177.588 176.519 -0.512 0.000 1.228 200 W CA 1.682 58.098 57.345 -1.548 0.000 1.241 200 W CB -1.380 27.429 29.460 -1.086 0.000 1.142 200 W HN 0.189 nan 8.180 nan 0.000 0.520 201 S N 0.765 115.592 115.700 -1.455 0.000 2.489 201 S HA -0.042 4.428 4.470 0.000 0.000 0.228 201 S C 0.665 175.007 174.600 -0.430 0.000 0.995 201 S CA 0.294 57.822 58.200 -1.120 0.000 0.934 201 S CB -0.813 61.644 63.200 -1.238 0.000 0.771 201 S HN 0.221 nan 8.310 nan 0.000 0.522 202 N N 1.842 120.392 118.700 -0.251 0.000 2.801 202 N HA 0.438 5.178 4.740 0.000 0.000 0.235 202 N C -1.463 174.130 175.510 0.139 0.000 1.069 202 N CA -0.166 52.864 53.050 -0.032 0.000 0.946 202 N CB 1.230 39.726 38.487 0.016 0.000 1.212 202 N HN 0.329 nan 8.380 nan 0.000 0.509 203 L N 1.952 123.223 121.223 0.079 0.000 2.464 203 L HA 0.311 4.651 4.340 0.000 0.000 0.266 203 L C -0.800 176.022 176.870 -0.080 0.000 0.965 203 L CA -0.679 54.197 54.840 0.060 0.000 0.833 203 L CB 2.233 44.374 42.059 0.136 0.000 1.296 203 L HN 0.229 nan 8.230 nan 0.000 0.405 204 Q N 3.201 122.897 119.800 -0.173 0.000 2.278 204 Q HA 0.651 4.991 4.340 0.000 0.000 0.257 204 Q C -1.788 173.864 176.000 -0.580 0.000 0.928 204 Q CA -0.332 55.217 55.803 -0.423 0.000 0.932 204 Q CB 1.639 30.013 28.738 -0.607 0.000 1.221 204 Q HN 0.513 nan 8.270 nan 0.000 0.434 205 V N 5.549 125.118 119.914 -0.575 0.000 2.398 205 V HA 0.461 4.581 4.120 0.000 0.000 0.286 205 V C -0.826 174.899 176.094 -0.614 0.000 1.026 205 V CA -0.578 61.433 62.300 -0.482 0.000 0.868 205 V CB 0.694 32.356 31.823 -0.268 0.000 0.982 205 V HN 0.686 nan 8.190 nan 0.000 0.443 206 F N 2.570 122.357 119.950 -0.271 0.000 2.388 206 F HA 0.377 4.904 4.527 0.000 0.000 0.358 206 F C 0.484 176.120 175.800 -0.274 0.000 1.122 206 F CA -0.942 56.906 58.000 -0.253 0.000 1.056 206 F CB 1.124 39.977 39.000 -0.245 0.000 1.155 206 F HN 0.425 nan 8.300 nan 0.000 0.461 207 D N 3.419 123.784 120.400 -0.060 0.000 2.393 207 D HA 0.351 4.991 4.640 0.000 0.000 0.232 207 D C 0.156 176.346 176.300 -0.182 0.000 1.192 207 D CA 0.183 54.100 54.000 -0.140 0.000 0.882 207 D CB 1.071 41.816 40.800 -0.093 0.000 1.038 207 D HN 0.619 nan 8.370 nan 0.000 0.499 208 A N 4.583 127.172 122.820 -0.386 0.000 2.630 208 A HA 0.155 4.475 4.320 0.000 0.000 0.290 208 A C 1.695 179.094 177.584 -0.307 0.000 1.267 208 A CA -0.391 51.302 52.037 -0.573 0.000 0.950 208 A CB 0.042 18.269 19.000 -1.289 0.000 1.144 208 A HN 0.515 nan 8.150 nan 0.000 0.527 209 R N 0.773 121.162 120.500 -0.185 0.000 2.241 209 R HA -0.135 4.206 4.340 0.000 0.000 0.224 209 R C 0.987 177.237 176.300 -0.082 0.000 1.101 209 R CA 1.448 57.486 56.100 -0.103 0.000 0.995 209 R CB -0.070 30.213 30.300 -0.029 0.000 0.870 209 R HN 0.730 nan 8.270 nan 0.000 0.463 210 N N -0.360 118.312 118.700 -0.046 0.000 2.336 210 N HA -0.049 4.691 4.740 0.000 0.000 0.189 210 N C 0.336 175.877 175.510 0.051 0.000 1.113 210 N CA -0.168 52.889 53.050 0.011 0.000 0.858 210 N CB -0.401 38.108 38.487 0.038 0.000 0.970 210 N HN 0.040 nan 8.380 nan 0.000 0.471 211 C N 0.956 120.274 119.300 0.030 0.000 2.703 211 C HA 0.418 4.878 4.460 0.000 0.000 0.411 211 C C 1.636 176.766 174.990 0.233 0.000 1.290 211 C CA 0.495 59.606 59.018 0.155 0.000 2.054 211 C CB -0.028 27.841 27.740 0.215 0.000 2.732 211 C HN 0.664 nan 8.230 nan 0.000 0.650 212 S N 1.084 116.984 115.700 0.333 0.000 2.661 212 S HA 0.214 4.684 4.470 0.000 0.000 0.275 212 S C 0.136 174.885 174.600 0.248 0.000 1.075 212 S CA 0.397 58.817 58.200 0.367 0.000 1.251 212 S CB -0.186 63.139 63.200 0.208 0.000 1.167 212 S HN 1.101 nan 8.310 nan 0.000 0.648 213 T N -1.542 113.137 114.554 0.207 0.000 2.916 213 T HA 0.853 5.203 4.350 0.000 0.000 0.292 213 T C 1.219 175.965 174.700 0.077 0.000 1.064 213 T CA -0.194 61.963 62.100 0.095 0.000 1.011 213 T CB 1.415 70.336 68.868 0.088 0.000 1.152 213 T HN 0.227 nan 8.240 nan 0.000 0.510 214 A N 0.458 123.299 122.820 0.034 0.000 1.883 214 A HA -0.094 4.226 4.320 0.000 0.000 0.217 214 A C 2.313 179.867 177.584 -0.050 0.000 1.186 214 A CA 1.448 53.505 52.037 0.034 0.000 0.624 214 A CB -1.128 17.987 19.000 0.191 0.000 0.822 214 A HN 0.799 nan 8.150 nan 0.000 0.444 215 Q N -0.135 119.705 119.800 0.065 0.000 2.096 215 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 215 Q C 1.862 177.873 176.000 0.018 0.000 0.982 215 Q CA 2.101 57.918 55.803 0.023 0.000 0.850 215 Q CB -0.293 28.532 28.738 0.145 0.000 0.901 215 Q HN 0.833 nan 8.270 nan 0.000 0.422 216 E N -0.687 119.560 120.200 0.078 0.000 2.152 216 E HA -0.106 4.244 4.350 0.000 0.000 0.192 216 E C 2.078 178.823 176.600 0.242 0.000 0.983 216 E CA 0.684 57.168 56.400 0.140 0.000 0.818 216 E CB -0.032 29.794 29.700 0.210 0.000 0.758 216 E HN 0.341 nan 8.360 nan 0.000 0.467 217 M N -0.102 119.588 119.600 0.150 0.000 2.099 217 M HA -0.103 4.377 4.480 0.000 0.000 0.262 217 M C 2.130 178.487 176.300 0.095 0.000 1.067 217 M CA 1.279 56.650 55.300 0.118 0.000 1.124 217 M CB -0.219 32.235 32.600 -0.244 0.000 1.353 217 M HN 0.132 nan 8.290 nan 0.000 0.410 218 F N 1.228 120.997 119.950 -0.301 0.000 2.161 218 F HA -0.305 4.222 4.527 0.000 0.000 0.300 218 F C 2.292 177.977 175.800 -0.192 0.000 1.089 218 F CA 1.701 59.453 58.000 -0.414 0.000 1.282 218 F CB -0.039 38.355 39.000 -1.011 0.000 1.010 218 F HN 0.167 nan 8.300 nan 0.000 0.485 219 Q N -1.003 118.593 119.800 -0.340 0.000 2.083 219 Q HA -0.199 4.141 4.340 0.000 0.000 0.198 219 Q C 1.902 177.707 176.000 -0.325 0.000 0.969 219 Q CA 1.811 57.371 55.803 -0.404 0.000 0.838 219 Q CB -0.440 28.145 28.738 -0.255 0.000 0.900 219 Q HN 0.587 nan 8.270 nan 0.000 0.436 220 H N 0.252 119.246 119.070 -0.127 0.000 2.387 220 H HA -0.076 4.480 4.556 0.000 0.000 0.299 220 H C 1.887 177.130 175.328 -0.142 0.000 1.090 220 H CA 1.412 57.394 56.048 -0.109 0.000 1.332 220 H CB 0.133 29.929 29.762 0.057 0.000 1.386 220 H HN 0.158 nan 8.280 nan 0.000 0.516 221 I N -0.719 119.872 120.570 0.035 0.000 2.233 221 I HA -0.286 3.884 4.170 0.000 0.000 0.243 221 I C 2.098 178.121 176.117 -0.156 0.000 1.093 221 I CA 0.667 61.947 61.300 -0.033 0.000 1.380 221 I CB -0.181 37.817 38.000 -0.004 0.000 1.067 221 I HN 0.382 nan 8.210 nan 0.000 0.413 222 C N 0.468 119.569 119.300 -0.333 0.000 2.411 222 C HA -0.147 4.313 4.460 0.000 0.000 0.279 222 C C 2.948 177.812 174.990 -0.210 0.000 1.288 222 C CA 0.703 59.525 59.018 -0.327 0.000 1.764 222 C CB -1.194 26.229 27.740 -0.529 0.000 1.974 222 C HN 0.446 nan 8.230 nan 0.000 0.498 223 R N 0.267 120.619 120.500 -0.247 0.000 2.075 223 R HA -0.128 4.212 4.340 0.000 0.000 0.232 223 R C 2.076 178.219 176.300 -0.262 0.000 1.126 223 R CA 1.904 57.840 56.100 -0.273 0.000 0.963 223 R CB -0.842 29.220 30.300 -0.396 0.000 0.858 223 R HN 0.779 nan 8.270 nan 0.000 0.435 224 H N -0.036 118.806 119.070 -0.379 0.000 2.293 224 H HA -0.045 4.511 4.556 0.000 0.000 0.300 224 H C 2.273 177.599 175.328 -0.003 0.000 1.082 224 H CA 2.172 58.081 56.048 -0.232 0.000 1.308 224 H CB -0.091 29.589 29.762 -0.137 0.000 1.375 224 H HN 0.138 nan 8.280 nan 0.000 0.495 225 I N 0.704 121.381 120.570 0.178 0.000 2.151 225 I HA -0.300 3.870 4.170 0.000 0.000 0.243 225 I C 2.624 178.804 176.117 0.104 0.000 1.080 225 I CA 0.921 62.289 61.300 0.114 0.000 1.339 225 I CB -0.278 37.720 38.000 -0.004 0.000 1.039 225 I HN 0.439 nan 8.210 nan 0.000 0.409 226 L N 0.121 121.375 121.223 0.053 0.000 2.017 226 L HA -0.274 4.067 4.340 0.000 0.000 0.208 226 L C 2.632 179.547 176.870 0.076 0.000 1.073 226 L CA 2.189 57.052 54.840 0.039 0.000 0.745 226 L CB -0.857 41.201 42.059 -0.002 0.000 0.894 226 L HN 0.297 nan 8.230 nan 0.000 0.432 227 Y N 0.785 121.100 120.300 0.025 0.000 2.145 227 Y HA -0.203 4.347 4.550 0.000 0.000 0.286 227 Y C 2.483 178.445 175.900 0.104 0.000 1.145 227 Y CA 2.126 60.278 58.100 0.086 0.000 1.148 227 Y CB -0.320 38.264 38.460 0.205 0.000 0.981 227 Y HN 0.223 nan 8.280 nan 0.000 0.507 228 A N -0.552 122.398 122.820 0.217 0.000 1.898 228 A HA -0.144 4.176 4.320 0.000 0.000 0.216 228 A C 2.208 179.827 177.584 0.058 0.000 1.181 228 A CA 2.161 54.293 52.037 0.159 0.000 0.620 228 A CB -1.333 17.856 19.000 0.315 0.000 0.819 228 A HN 0.510 nan 8.150 nan 0.000 0.442 229 T N -0.058 114.537 114.554 0.068 0.000 2.708 229 T HA -0.148 4.202 4.350 0.000 0.000 0.266 229 T C 1.143 175.842 174.700 -0.001 0.000 1.037 229 T CA 1.419 63.551 62.100 0.053 0.000 1.146 229 T CB -0.456 68.442 68.868 0.049 0.000 0.865 229 T HN 0.634 nan 8.240 nan 0.000 0.435 230 N N 1.765 120.433 118.700 -0.054 0.000 2.716 230 N HA -0.274 4.466 4.740 0.000 0.000 0.250 230 N C 0.162 175.642 175.510 -0.050 0.000 1.033 230 N CA 0.968 53.964 53.050 -0.090 0.000 0.727 230 N CB -2.130 36.261 38.487 -0.159 0.000 0.950 230 N HN 0.682 nan 8.380 nan 0.000 0.541 231 N N -1.825 116.858 118.700 -0.029 0.000 2.747 231 N HA -0.246 4.494 4.740 0.000 0.000 0.249 231 N C 0.860 176.354 175.510 -0.028 0.000 1.107 231 N CA 1.348 54.382 53.050 -0.026 0.000 0.707 231 N CB -1.257 37.212 38.487 -0.030 0.000 1.054 231 N HN 1.122 nan 8.380 nan 0.000 0.555 232 G N -0.040 108.751 108.800 -0.015 0.000 2.254 232 G HA2 -0.302 3.658 3.960 0.000 0.000 0.225 232 G HA3 -0.302 3.658 3.960 0.000 0.000 0.225 232 G C -0.018 174.878 174.900 -0.007 0.000 1.003 232 G CA 0.268 45.361 45.100 -0.012 0.000 0.622 232 G HN 0.539 nan 8.290 nan 0.000 0.507 233 N N 2.145 120.828 118.700 -0.028 0.000 3.124 233 N HA 0.302 5.043 4.740 0.000 0.000 0.284 233 N C 0.909 176.404 175.510 -0.024 0.000 1.209 233 N CA -0.582 52.439 53.050 -0.048 0.000 1.149 233 N CB -0.512 37.938 38.487 -0.063 0.000 1.434 233 N HN 0.351 nan 8.380 nan 0.000 0.529 234 I N 1.705 122.298 120.570 0.038 0.000 2.989 234 I HA -0.159 4.011 4.170 0.000 0.000 0.311 234 I C 0.843 177.088 176.117 0.212 0.000 1.221 234 I CA 0.896 62.286 61.300 0.149 0.000 1.449 234 I CB -0.341 37.838 38.000 0.298 0.000 1.325 234 I HN 0.272 nan 8.210 nan 0.000 0.557 235 R N 4.002 124.600 120.500 0.163 0.000 2.599 235 R HA 0.402 4.742 4.340 0.000 0.000 0.295 235 R C -0.395 176.048 176.300 0.238 0.000 0.963 235 R CA -0.679 55.533 56.100 0.186 0.000 0.883 235 R CB 1.927 32.187 30.300 -0.067 0.000 1.171 235 R HN 0.539 nan 8.270 nan 0.000 0.450 236 S N 1.462 117.292 115.700 0.217 0.000 2.528 236 S HA 0.519 4.989 4.470 0.000 0.000 0.277 236 S C -0.376 174.254 174.600 0.049 0.000 1.297 236 S CA -0.294 57.933 58.200 0.045 0.000 1.052 236 S CB 1.277 64.412 63.200 -0.108 0.000 0.917 236 S HN 0.692 nan 8.310 nan 0.000 0.492 237 A N 2.968 125.780 122.820 -0.013 0.000 2.602 237 A HA 0.876 5.196 4.320 0.000 0.000 0.290 237 A C -1.307 176.217 177.584 -0.101 0.000 1.114 237 A CA -0.688 51.258 52.037 -0.150 0.000 0.683 237 A CB 1.230 20.102 19.000 -0.214 0.000 1.281 237 A HN 0.802 nan 8.150 nan 0.000 0.416 238 I N 0.089 120.576 120.570 -0.138 0.000 2.692 238 I HA 0.571 4.741 4.170 0.000 0.000 0.293 238 I C -1.307 174.845 176.117 0.058 0.000 1.200 238 I CA -0.075 61.278 61.300 0.088 0.000 1.036 238 I CB 2.396 40.403 38.000 0.011 0.000 1.258 238 I HN 0.576 nan 8.210 nan 0.000 0.421 239 T N 6.458 121.103 114.554 0.151 0.000 2.809 239 T HA 0.389 4.739 4.350 0.000 0.000 0.296 239 T C -0.595 173.894 174.700 -0.352 0.000 1.015 239 T CA -0.332 61.720 62.100 -0.079 0.000 0.954 239 T CB 1.257 70.084 68.868 -0.068 0.000 0.950 239 T HN 0.265 nan 8.240 nan 0.000 0.450 240 V N 5.537 125.213 119.914 -0.396 0.000 2.353 240 V HA 0.384 4.504 4.120 0.000 0.000 0.264 240 V C -0.018 175.804 176.094 -0.452 0.000 1.049 240 V CA -0.596 61.466 62.300 -0.397 0.000 0.896 240 V CB -0.641 30.907 31.823 -0.458 0.000 1.025 240 V HN 0.742 nan 8.190 nan 0.000 0.475 241 F N 5.282 125.166 119.950 -0.110 0.000 2.348 241 F HA 0.421 4.948 4.527 0.000 0.000 0.308 241 F C -1.699 173.995 175.800 -0.177 0.000 1.175 241 F CA -2.319 55.550 58.000 -0.219 0.000 1.080 241 F CB 0.330 39.217 39.000 -0.189 0.000 1.341 241 F HN 0.293 nan 8.300 nan 0.000 0.518 242 P HA -0.021 nan 4.420 nan 0.000 0.264 242 P C -1.201 176.103 177.300 0.005 0.000 1.193 242 P CA -0.087 62.883 63.100 -0.217 0.000 0.763 242 P CB 0.222 31.572 31.700 -0.582 0.000 0.810 243 Q N 3.273 123.053 119.800 -0.033 0.000 2.474 243 Q HA 0.077 4.417 4.340 0.000 0.000 0.256 243 Q C 0.148 176.060 176.000 -0.146 0.000 1.048 243 Q CA -0.486 55.094 55.803 -0.372 0.000 0.922 243 Q CB 0.718 28.944 28.738 -0.853 0.000 1.288 243 Q HN 0.337 nan 8.270 nan 0.000 0.484 244 R N 1.128 121.537 120.500 -0.150 0.000 2.537 244 R HA 0.015 4.355 4.340 0.000 0.000 0.280 244 R C 0.144 176.423 176.300 -0.035 0.000 1.058 244 R CA 0.716 56.801 56.100 -0.025 0.000 1.057 244 R CB 0.585 30.866 30.300 -0.031 0.000 0.973 244 R HN 0.950 nan 8.270 nan 0.000 0.438 245 S N 2.382 118.106 115.700 0.041 0.000 2.650 245 S HA -0.044 4.426 4.470 0.000 0.000 0.182 245 S C 0.824 175.448 174.600 0.041 0.000 0.832 245 S CA 0.271 58.500 58.200 0.048 0.000 0.860 245 S CB -0.077 63.190 63.200 0.111 0.000 0.818 245 S HN 0.826 nan 8.310 nan 0.000 0.600 246 D N 0.265 120.700 120.400 0.057 0.000 2.363 246 D HA 0.281 4.921 4.640 0.000 0.000 0.214 246 D C 1.365 177.648 176.300 -0.029 0.000 1.093 246 D CA 0.652 54.661 54.000 0.015 0.000 0.837 246 D CB -0.111 40.703 40.800 0.023 0.000 0.948 246 D HN 0.834 nan 8.370 nan 0.000 0.507 247 G N 1.359 110.149 108.800 -0.017 0.000 2.212 247 G HA2 -0.373 3.587 3.960 0.000 0.000 0.266 247 G HA3 -0.373 3.587 3.960 0.000 0.000 0.266 247 G C 0.991 175.850 174.900 -0.069 0.000 0.978 247 G CA 0.573 45.658 45.100 -0.026 0.000 0.632 247 G HN 0.482 nan 8.290 nan 0.000 0.537 248 K N -0.108 120.179 120.400 -0.188 0.000 2.358 248 K HA 0.218 4.539 4.320 0.000 0.000 0.197 248 K C 0.332 176.641 176.600 -0.485 0.000 1.025 248 K CA 0.095 56.176 56.287 -0.343 0.000 1.104 248 K CB 0.385 32.615 32.500 -0.450 0.000 0.855 248 K HN 0.498 nan 8.250 nan 0.000 0.531 249 H N 1.364 120.468 119.070 0.056 0.000 2.779 249 H HA 0.117 4.673 4.556 0.000 0.000 0.230 249 H C -1.048 174.340 175.328 0.100 0.000 1.365 249 H CA -1.025 55.056 56.048 0.055 0.000 1.086 249 H CB -0.027 29.777 29.762 0.070 0.000 2.038 249 H HN 0.278 nan 8.280 nan 0.000 0.558 250 D N -0.339 120.163 120.400 0.170 0.000 2.277 250 D HA 0.247 4.888 4.640 0.000 0.000 0.250 250 D C -0.121 176.291 176.300 0.187 0.000 1.032 250 D CA -0.622 53.529 54.000 0.251 0.000 0.947 250 D CB 0.895 41.816 40.800 0.201 0.000 1.159 250 D HN -0.071 nan 8.370 nan 0.000 0.460 251 F N 0.275 120.277 119.950 0.086 0.000 2.404 251 F HA 0.464 4.991 4.527 0.000 0.000 0.345 251 F C 0.963 176.801 175.800 0.063 0.000 1.110 251 F CA -0.592 57.425 58.000 0.030 0.000 1.130 251 F CB 0.978 39.959 39.000 -0.032 0.000 1.129 251 F HN -0.127 nan 8.300 nan 0.000 0.500 252 R N 3.621 124.232 120.500 0.185 0.000 2.564 252 R HA 0.434 4.774 4.340 0.000 0.000 0.284 252 R C -1.715 174.740 176.300 0.258 0.000 1.031 252 R CA -1.120 55.118 56.100 0.230 0.000 0.904 252 R CB 2.208 32.677 30.300 0.282 0.000 1.199 252 R HN 0.522 nan 8.270 nan 0.000 0.443 253 L N 2.262 123.616 121.223 0.219 0.000 2.265 253 L HA 0.321 4.661 4.340 0.000 0.000 0.288 253 L C 0.758 177.837 176.870 0.350 0.000 1.058 253 L CA -0.113 54.856 54.840 0.215 0.000 0.809 253 L CB 0.576 42.697 42.059 0.103 0.000 1.179 253 L HN 0.569 nan 8.230 nan 0.000 0.429 254 W N 0.846 122.204 121.300 0.097 0.000 2.699 254 W HA 0.016 4.676 4.660 0.000 0.000 0.249 254 W C 0.619 177.143 176.519 0.009 0.000 1.280 254 W CA -0.486 56.994 57.345 0.225 0.000 1.345 254 W CB -1.060 28.661 29.460 0.435 0.000 1.128 254 W HN 0.498 nan 8.180 nan 0.000 0.642 255 N N -0.338 118.382 118.700 0.034 0.000 2.503 255 N HA 0.055 4.795 4.740 0.000 0.000 0.267 255 N C 1.367 176.692 175.510 -0.309 0.000 1.214 255 N CA 0.721 53.519 53.050 -0.420 0.000 0.959 255 N CB 0.856 39.242 38.487 -0.168 0.000 1.142 255 N HN -0.149 nan 8.380 nan 0.000 0.455 256 S N 0.422 115.897 115.700 -0.375 0.000 2.406 256 S HA 0.021 4.491 4.470 0.000 0.000 0.224 256 S C 0.282 174.770 174.600 -0.187 0.000 1.030 256 S CA 0.529 58.602 58.200 -0.211 0.000 0.958 256 S CB 0.058 63.163 63.200 -0.157 0.000 0.811 256 S HN 0.636 nan 8.310 nan 0.000 0.489 257 Q N -0.619 119.059 119.800 -0.203 0.000 2.421 257 Q HA 0.487 4.827 4.340 0.000 0.000 0.280 257 Q C -0.208 175.652 176.000 -0.233 0.000 1.085 257 Q CA -0.811 54.868 55.803 -0.205 0.000 0.807 257 Q CB 1.743 30.398 28.738 -0.139 0.000 1.405 257 Q HN 0.001 nan 8.270 nan 0.000 0.419 258 L N 0.968 122.042 121.223 -0.247 0.000 1.990 258 L HA -0.070 4.270 4.340 0.000 0.000 0.213 258 L C 0.517 177.228 176.870 -0.265 0.000 1.072 258 L CA 1.939 56.644 54.840 -0.226 0.000 0.755 258 L CB -0.123 41.788 42.059 -0.246 0.000 0.889 258 L HN 0.555 nan 8.230 nan 0.000 0.432 259 I N -1.141 119.179 120.570 -0.416 0.000 2.389 259 I HA 0.391 4.561 4.170 0.000 0.000 0.288 259 I C -0.121 175.382 176.117 -1.023 0.000 0.999 259 I CA -0.474 60.422 61.300 -0.673 0.000 1.129 259 I CB 1.651 39.188 38.000 -0.772 0.000 1.288 259 I HN -0.000 nan 8.210 nan 0.000 0.444 260 R N 4.431 124.484 120.500 -0.746 0.000 2.710 260 R HA 0.545 4.886 4.340 0.000 0.000 0.270 260 R C -1.894 174.180 176.300 -0.376 0.000 1.021 260 R CA -0.777 55.012 56.100 -0.518 0.000 0.889 260 R CB 1.284 31.466 30.300 -0.197 0.000 1.243 260 R HN 0.277 nan 8.270 nan 0.000 0.464 261 Y N 0.657 120.981 120.300 0.040 0.000 2.376 261 Y HA 0.678 5.228 4.550 0.000 0.000 0.325 261 Y C 0.720 176.639 175.900 0.032 0.000 1.199 261 Y CA -0.508 57.642 58.100 0.085 0.000 1.206 261 Y CB 1.594 40.191 38.460 0.228 0.000 1.229 261 Y HN 0.741 nan 8.280 nan 0.000 0.480 262 A N 0.937 123.848 122.820 0.151 0.000 2.346 262 A HA 0.655 4.975 4.320 0.000 0.000 0.252 262 A C 0.358 177.787 177.584 -0.258 0.000 1.089 262 A CA 0.228 52.160 52.037 -0.174 0.000 0.797 262 A CB -0.202 18.594 19.000 -0.340 0.000 1.047 262 A HN 0.932 nan 8.150 nan 0.000 0.494 263 G N -0.081 108.449 108.800 -0.450 0.000 2.737 263 G HA2 0.571 4.531 3.960 0.000 0.000 0.290 263 G HA3 0.571 4.531 3.960 0.000 0.000 0.290 263 G C -1.306 173.385 174.900 -0.349 0.000 1.482 263 G CA -0.263 44.668 45.100 -0.281 0.000 1.017 263 G HN 0.541 nan 8.290 nan 0.000 0.529 264 Y N 0.498 120.819 120.300 0.036 0.000 2.364 264 Y HA 0.473 5.023 4.550 0.000 0.000 0.340 264 Y C 0.486 176.435 175.900 0.081 0.000 0.975 264 Y CA -1.033 57.106 58.100 0.064 0.000 1.089 264 Y CB 2.481 40.995 38.460 0.091 0.000 1.192 264 Y HN 0.479 nan 8.280 nan 0.000 0.454 265 Q N 4.438 124.373 119.800 0.226 0.000 2.472 265 Q HA 0.248 4.588 4.340 0.000 0.000 0.227 265 Q C -0.554 175.544 176.000 0.163 0.000 1.156 265 Q CA -0.777 55.115 55.803 0.149 0.000 0.924 265 Q CB 0.358 29.154 28.738 0.097 0.000 1.354 265 Q HN 0.592 nan 8.270 nan 0.000 0.525 266 M N 4.524 124.216 119.600 0.152 0.000 2.235 266 M HA -0.037 4.443 4.480 0.000 0.000 0.316 266 M C -1.362 174.964 176.300 0.044 0.000 1.035 266 M CA -1.449 53.909 55.300 0.097 0.000 1.084 266 M CB -0.448 32.186 32.600 0.058 0.000 1.529 266 M HN 0.473 nan 8.290 nan 0.000 0.440 267 P HA -0.167 nan 4.420 nan 0.000 0.219 267 P C 0.115 177.408 177.300 -0.011 0.000 1.146 267 P CA 1.526 64.616 63.100 -0.017 0.000 0.808 267 P CB -0.291 31.373 31.700 -0.060 0.000 0.779 268 D N -1.695 118.698 120.400 -0.012 0.000 2.323 268 D HA 0.222 4.862 4.640 0.000 0.000 0.239 268 D C 1.437 177.739 176.300 0.004 0.000 1.129 268 D CA 0.392 54.387 54.000 -0.008 0.000 0.865 268 D CB -0.746 40.045 40.800 -0.014 0.000 0.913 268 D HN 0.225 nan 8.370 nan 0.000 0.517 269 G N 0.216 109.024 108.800 0.013 0.000 2.304 269 G HA2 -0.345 3.615 3.960 0.000 0.000 0.252 269 G HA3 -0.345 3.615 3.960 0.000 0.000 0.252 269 G C 0.697 175.612 174.900 0.025 0.000 1.014 269 G CA 0.615 45.726 45.100 0.019 0.000 0.619 269 G HN 0.794 nan 8.290 nan 0.000 0.525 270 T N -0.432 114.137 114.554 0.026 0.000 2.882 270 T HA 0.674 5.024 4.350 0.000 0.000 0.287 270 T C 0.533 175.261 174.700 0.047 0.000 1.014 270 T CA -0.474 61.643 62.100 0.029 0.000 1.049 270 T CB 1.827 70.709 68.868 0.023 0.000 1.001 270 T HN 0.497 nan 8.240 nan 0.000 0.525 271 I N 1.550 122.144 120.570 0.040 0.000 2.385 271 I HA 0.512 4.682 4.170 0.000 0.000 0.294 271 I C 0.356 176.501 176.117 0.047 0.000 0.988 271 I CA -0.928 60.401 61.300 0.049 0.000 1.265 271 I CB 1.580 39.592 38.000 0.020 0.000 1.388 271 I HN 0.583 nan 8.210 nan 0.000 0.480 272 R N 3.713 124.272 120.500 0.100 0.000 2.599 272 R HA 0.722 5.062 4.340 0.000 0.000 0.295 272 R C -0.040 176.316 176.300 0.094 0.000 0.963 272 R CA 0.521 56.689 56.100 0.113 0.000 0.883 272 R CB 1.482 31.905 30.300 0.206 0.000 1.171 272 R HN 0.857 nan 8.270 nan 0.000 0.450 273 G N 2.655 111.436 108.800 -0.031 0.000 2.498 273 G HA2 -0.267 3.693 3.960 0.000 0.000 0.245 273 G HA3 -0.267 3.693 3.960 0.000 0.000 0.245 273 G C -1.138 173.536 174.900 -0.376 0.000 1.204 273 G CA 0.085 45.125 45.100 -0.100 0.000 0.933 273 G HN 0.665 nan 8.290 nan 0.000 0.574 274 D N 1.758 122.064 120.400 -0.156 0.000 2.365 274 D HA 0.601 5.241 4.640 0.000 0.000 0.237 274 D C 1.449 177.703 176.300 -0.077 0.000 1.190 274 D CA 0.797 54.710 54.000 -0.145 0.000 0.867 274 D CB 0.773 41.738 40.800 0.276 0.000 1.050 274 D HN 0.898 nan 8.370 nan 0.000 0.491 275 A N 3.781 126.531 122.820 -0.116 0.000 2.019 275 A HA -0.095 4.225 4.320 0.000 0.000 0.219 275 A C 2.031 179.629 177.584 0.024 0.000 1.164 275 A CA 1.667 53.682 52.037 -0.036 0.000 0.644 275 A CB -0.233 18.748 19.000 -0.032 0.000 0.805 275 A HN 0.606 nan 8.150 nan 0.000 0.449 276 A N -0.397 122.458 122.820 0.060 0.000 2.067 276 A HA 0.012 4.332 4.320 0.000 0.000 0.219 276 A C 1.990 179.632 177.584 0.095 0.000 1.158 276 A CA 1.899 53.998 52.037 0.102 0.000 0.661 276 A CB -0.822 18.260 19.000 0.136 0.000 0.801 276 A HN 0.799 nan 8.150 nan 0.000 0.452 277 T N -3.058 111.541 114.554 0.075 0.000 3.243 277 T HA 0.436 4.786 4.350 0.000 0.000 0.264 277 T C 1.242 175.951 174.700 0.015 0.000 1.000 277 T CA -0.134 62.008 62.100 0.069 0.000 0.901 277 T CB -0.262 68.654 68.868 0.079 0.000 1.083 277 T HN 0.218 nan 8.240 nan 0.000 0.559 278 L N 0.534 121.760 121.223 0.004 0.000 1.989 278 L HA -0.066 4.274 4.340 0.000 0.000 0.211 278 L C 2.941 179.788 176.870 -0.038 0.000 1.071 278 L CA 1.940 56.764 54.840 -0.026 0.000 0.749 278 L CB -0.327 41.735 42.059 0.005 0.000 0.890 278 L HN 0.428 nan 8.230 nan 0.000 0.431 279 E N -0.334 119.858 120.200 -0.013 0.000 2.031 279 E HA -0.289 4.061 4.350 0.000 0.000 0.193 279 E C 2.153 178.655 176.600 -0.164 0.000 0.994 279 E CA 1.444 57.806 56.400 -0.063 0.000 0.800 279 E CB -0.174 29.518 29.700 -0.014 0.000 0.752 279 E HN 0.397 nan 8.360 nan 0.000 0.447 280 F N 0.828 120.591 119.950 -0.312 0.000 2.216 280 F HA -0.184 4.344 4.527 0.000 0.000 0.300 280 F C 2.284 177.896 175.800 -0.315 0.000 1.085 280 F CA 1.510 59.260 58.000 -0.416 0.000 1.326 280 F CB -0.039 38.775 39.000 -0.310 0.000 1.027 280 F HN 0.005 nan 8.300 nan 0.000 0.497 281 T N -0.432 113.976 114.554 -0.244 0.000 2.821 281 T HA -0.226 4.124 4.350 0.000 0.000 0.267 281 T C 1.718 176.274 174.700 -0.241 0.000 1.046 281 T CA 1.497 63.405 62.100 -0.321 0.000 1.139 281 T CB -0.214 68.482 68.868 -0.288 0.000 0.871 281 T HN 0.236 nan 8.240 nan 0.000 0.454 282 Q N 0.675 120.366 119.800 -0.182 0.000 2.119 282 Q HA 0.010 4.350 4.340 0.000 0.000 0.201 282 Q C 2.053 177.953 176.000 -0.168 0.000 0.972 282 Q CA 1.035 56.772 55.803 -0.110 0.000 0.847 282 Q CB -0.630 28.062 28.738 -0.076 0.000 0.903 282 Q HN 0.434 nan 8.270 nan 0.000 0.433 283 L N -0.484 120.550 121.223 -0.315 0.000 2.017 283 L HA -0.159 4.181 4.340 0.000 0.000 0.208 283 L C 2.096 178.761 176.870 -0.342 0.000 1.073 283 L CA 1.858 56.488 54.840 -0.349 0.000 0.745 283 L CB -0.963 40.771 42.059 -0.540 0.000 0.894 283 L HN 0.350 nan 8.230 nan 0.000 0.432 284 C N -0.303 118.691 119.300 -0.511 0.000 2.429 284 C HA -0.130 4.330 4.460 0.000 0.000 0.277 284 C C 2.729 177.695 174.990 -0.039 0.000 1.262 284 C CA 0.898 59.674 59.018 -0.404 0.000 1.733 284 C CB -0.975 26.343 27.740 -0.703 0.000 2.010 284 C HN 0.589 nan 8.230 nan 0.000 0.483 285 I N 1.048 121.652 120.570 0.056 0.000 2.286 285 I HA -0.184 3.986 4.170 0.000 0.000 0.248 285 I C 2.032 178.174 176.117 0.041 0.000 1.115 285 I CA 1.464 62.849 61.300 0.141 0.000 1.392 285 I CB -0.560 37.522 38.000 0.136 0.000 1.065 285 I HN 0.339 nan 8.210 nan 0.000 0.418 286 D N 0.901 121.292 120.400 -0.014 0.000 2.144 286 D HA -0.072 4.568 4.640 0.000 0.000 0.200 286 D C 1.980 178.267 176.300 -0.022 0.000 0.978 286 D CA 1.122 55.114 54.000 -0.013 0.000 0.833 286 D CB -0.147 40.639 40.800 -0.023 0.000 0.961 286 D HN 0.293 nan 8.370 nan 0.000 0.470 287 L N -0.352 120.835 121.223 -0.060 0.000 2.693 287 L HA 0.164 4.504 4.340 0.000 0.000 0.242 287 L C 1.481 178.315 176.870 -0.060 0.000 1.157 287 L CA 0.368 55.155 54.840 -0.088 0.000 0.929 287 L CB -0.350 41.608 42.059 -0.169 0.000 1.103 287 L HN 0.150 nan 8.230 nan 0.000 0.430 288 G N -1.246 107.546 108.800 -0.014 0.000 2.195 288 G HA2 -0.317 3.643 3.960 0.000 0.000 0.246 288 G HA3 -0.317 3.643 3.960 0.000 0.000 0.246 288 G C 0.043 174.959 174.900 0.026 0.000 0.984 288 G CA -0.174 44.919 45.100 -0.011 0.000 0.633 288 G HN 0.377 nan 8.290 nan 0.000 0.525 289 W N 2.525 123.745 121.300 -0.133 0.000 2.170 289 W HA 0.560 5.220 4.660 0.000 0.000 0.342 289 W C 0.128 176.599 176.519 -0.079 0.000 1.294 289 W CA 0.175 57.447 57.345 -0.121 0.000 1.246 289 W CB 0.556 29.926 29.460 -0.149 0.000 1.156 289 W HN 0.092 nan 8.180 nan 0.000 0.572 290 K N 7.065 126.882 120.400 -0.972 0.000 2.264 290 K HA 0.295 4.615 4.320 0.000 0.000 0.277 290 K C -2.368 173.357 176.600 -1.459 0.000 1.067 290 K CA -1.835 53.917 56.287 -0.890 0.000 0.900 290 K CB 0.368 32.527 32.500 -0.567 0.000 1.124 290 K HN 0.174 nan 8.250 nan 0.000 0.469 291 P HA 0.137 nan 4.420 nan 0.000 0.276 291 P C -0.503 176.427 177.300 -0.618 0.000 1.253 291 P CA -0.320 62.290 63.100 -0.817 0.000 0.766 291 P CB 1.137 32.485 31.700 -0.587 0.000 0.845 292 R N 2.139 122.368 120.500 -0.452 0.000 2.300 292 R HA 0.087 4.427 4.340 0.000 0.000 0.199 292 R C 0.123 176.300 176.300 -0.205 0.000 0.920 292 R CA -0.058 55.922 56.100 -0.201 0.000 1.046 292 R CB -0.469 29.809 30.300 -0.036 0.000 0.984 292 R HN 0.430 nan 8.270 nan 0.000 0.493 293 Y N -0.808 119.033 120.300 -0.765 0.000 4.079 293 Y HA -0.281 4.269 4.550 0.000 0.000 0.223 293 Y C 0.994 176.663 175.900 -0.385 0.000 1.155 293 Y CA 0.481 57.974 58.100 -1.012 0.000 1.805 293 Y CB -2.065 36.045 38.460 -0.584 0.000 1.571 293 Y HN 0.260 nan 8.280 nan 0.000 0.654 294 G N 0.417 109.206 108.800 -0.018 0.000 2.532 294 G HA2 0.513 4.473 3.960 0.000 0.000 0.291 294 G HA3 0.513 4.473 3.960 0.000 0.000 0.291 294 G C 0.802 175.804 174.900 0.171 0.000 1.349 294 G CA -0.401 44.767 45.100 0.113 0.000 1.038 294 G HN 0.388 nan 8.290 nan 0.000 0.518 295 R N -1.926 118.598 120.500 0.041 0.000 2.334 295 R HA 0.294 4.634 4.340 0.000 0.000 0.212 295 R C -0.504 175.461 176.300 -0.558 0.000 0.897 295 R CA 0.199 56.179 56.100 -0.200 0.000 1.056 295 R CB 0.233 30.341 30.300 -0.320 0.000 1.046 295 R HN 0.277 nan 8.270 nan 0.000 0.513 296 F N 1.683 121.637 119.950 0.008 0.000 2.556 296 F HA 0.348 4.875 4.527 0.000 0.000 0.384 296 F C -0.989 174.784 175.800 -0.046 0.000 1.493 296 F CA -1.336 56.422 58.000 -0.403 0.000 1.119 296 F CB 0.787 39.442 39.000 -0.575 0.000 1.280 296 F HN -0.154 nan 8.300 nan 0.000 0.525 297 D N 1.600 122.215 120.400 0.359 0.000 2.316 297 D HA 0.230 4.870 4.640 0.000 0.000 0.245 297 D C 0.200 176.793 176.300 0.488 0.000 1.171 297 D CA 0.043 54.307 54.000 0.440 0.000 0.856 297 D CB 2.383 43.480 40.800 0.494 0.000 1.090 297 D HN -0.087 nan 8.370 nan 0.000 0.476 298 V N 3.914 124.074 119.914 0.411 0.000 2.485 298 V HA -0.009 4.111 4.120 0.000 0.000 0.287 298 V C 1.009 177.151 176.094 0.081 0.000 1.022 298 V CA -0.229 62.182 62.300 0.186 0.000 1.067 298 V CB 0.005 31.885 31.823 0.095 0.000 0.967 298 V HN 0.333 nan 8.190 nan 0.000 0.479 299 L N 8.477 129.641 121.223 -0.098 0.000 2.464 299 L HA 0.312 4.652 4.340 0.000 0.000 0.264 299 L C -1.658 175.034 176.870 -0.298 0.000 1.199 299 L CA -1.294 53.325 54.840 -0.369 0.000 0.818 299 L CB 0.515 42.398 42.059 -0.293 0.000 1.102 299 L HN 0.472 nan 8.230 nan 0.000 0.473 300 P HA 0.113 nan 4.420 nan 0.000 0.276 300 P C -0.971 176.271 177.300 -0.096 0.000 1.244 300 P CA -0.680 62.268 63.100 -0.252 0.000 0.801 300 P CB 1.050 32.515 31.700 -0.392 0.000 1.006 301 L N 2.028 123.273 121.223 0.037 0.000 2.367 301 L HA 0.147 4.488 4.340 0.000 0.000 0.275 301 L C 0.045 176.991 176.870 0.126 0.000 1.129 301 L CA -0.105 54.809 54.840 0.123 0.000 0.839 301 L CB 0.501 42.688 42.059 0.213 0.000 1.133 301 L HN 0.102 nan 8.230 nan 0.000 0.453 302 V N 6.575 126.580 119.914 0.152 0.000 2.293 302 V HA 0.389 4.509 4.120 0.000 0.000 0.275 302 V C 0.015 176.117 176.094 0.013 0.000 1.021 302 V CA -0.563 61.765 62.300 0.046 0.000 0.815 302 V CB 1.038 32.933 31.823 0.120 0.000 1.025 302 V HN 0.473 nan 8.190 nan 0.000 0.448 303 L N 4.526 125.741 121.223 -0.014 0.000 2.317 303 L HA 0.650 4.990 4.340 0.000 0.000 0.281 303 L C -0.143 176.603 176.870 -0.207 0.000 1.024 303 L CA -0.403 54.403 54.840 -0.057 0.000 0.810 303 L CB 1.773 43.837 42.059 0.009 0.000 1.240 303 L HN 0.582 nan 8.230 nan 0.000 0.427 304 Q N 2.764 122.434 119.800 -0.216 0.000 2.333 304 Q HA 0.732 5.072 4.340 0.000 0.000 0.268 304 Q C -1.500 174.330 176.000 -0.284 0.000 1.007 304 Q CA -0.589 55.064 55.803 -0.251 0.000 0.810 304 Q CB 2.137 30.800 28.738 -0.125 0.000 1.264 304 Q HN 0.798 nan 8.270 nan 0.000 0.452 305 A N 3.619 126.191 122.820 -0.412 0.000 2.355 305 A HA 0.445 4.766 4.320 0.000 0.000 0.317 305 A C -0.331 176.752 177.584 -0.835 0.000 1.094 305 A CA -0.202 51.289 52.037 -0.909 0.000 0.764 305 A CB 1.154 19.802 19.000 -0.587 0.000 1.230 305 A HN 1.026 nan 8.150 nan 0.000 0.448 306 D N 1.299 120.908 120.400 -1.319 0.000 2.686 306 D HA -0.103 4.537 4.640 0.000 0.000 0.235 306 D C 1.239 177.481 176.300 -0.096 0.000 1.160 306 D CA 2.534 56.275 54.000 -0.431 0.000 0.645 306 D CB -1.072 39.591 40.800 -0.228 0.000 1.039 306 D HN 2.148 nan 8.370 nan 0.000 0.423 307 G N -0.912 107.842 108.800 -0.077 0.000 2.205 307 G HA2 -0.396 3.564 3.960 0.000 0.000 0.269 307 G HA3 -0.396 3.564 3.960 0.000 0.000 0.269 307 G C 0.393 175.351 174.900 0.097 0.000 0.977 307 G CA 0.875 46.017 45.100 0.070 0.000 0.652 307 G HN 0.580 nan 8.290 nan 0.000 0.539 308 Q N 0.739 120.531 119.800 -0.013 0.000 2.471 308 Q HA 0.304 4.644 4.340 0.000 0.000 0.223 308 Q C 0.266 176.250 176.000 -0.027 0.000 1.045 308 Q CA -0.343 55.445 55.803 -0.025 0.000 0.956 308 Q CB 0.335 29.014 28.738 -0.099 0.000 1.249 308 Q HN 0.382 nan 8.270 nan 0.000 0.549 309 D N 2.356 122.699 120.400 -0.095 0.000 2.449 309 D HA 0.094 4.734 4.640 0.000 0.000 0.236 309 D C -1.998 174.062 176.300 -0.400 0.000 1.149 309 D CA -0.747 53.122 54.000 -0.217 0.000 0.878 309 D CB 0.024 40.568 40.800 -0.427 0.000 1.198 309 D HN 0.226 nan 8.370 nan 0.000 0.446 310 P HA 0.132 nan 4.420 nan 0.000 0.275 310 P C -0.755 176.240 177.300 -0.507 0.000 1.228 310 P CA -0.195 62.464 63.100 -0.735 0.000 0.786 310 P CB 1.011 31.845 31.700 -1.444 0.000 0.927 311 E N 0.579 120.565 120.200 -0.356 0.000 2.212 311 E HA 0.394 4.744 4.350 0.000 0.000 0.268 311 E C -0.713 175.616 176.600 -0.450 0.000 0.902 311 E CA -1.176 54.995 56.400 -0.382 0.000 0.779 311 E CB 1.962 31.483 29.700 -0.298 0.000 1.172 311 E HN 0.160 nan 8.360 nan 0.000 0.409 312 V N 3.290 122.841 119.914 -0.605 0.000 2.465 312 V HA 0.374 4.494 4.120 0.000 0.000 0.279 312 V C -0.693 174.918 176.094 -0.805 0.000 1.045 312 V CA -0.368 61.635 62.300 -0.494 0.000 0.938 312 V CB 0.068 31.703 31.823 -0.313 0.000 0.986 312 V HN 0.513 nan 8.190 nan 0.000 0.467 313 F N 1.674 121.456 119.950 -0.279 0.000 2.562 313 F HA 0.474 5.002 4.527 0.000 0.000 0.319 313 F C 0.180 175.814 175.800 -0.277 0.000 1.154 313 F CA -0.798 56.924 58.000 -0.464 0.000 0.931 313 F CB 1.694 40.103 39.000 -0.985 0.000 1.198 313 F HN 0.374 nan 8.300 nan 0.000 0.444 314 E N 2.928 123.116 120.200 -0.020 0.000 2.360 314 E HA 0.306 4.656 4.350 0.000 0.000 0.269 314 E C -0.378 176.331 176.600 0.181 0.000 1.022 314 E CA 0.013 56.477 56.400 0.107 0.000 0.887 314 E CB 0.685 30.471 29.700 0.144 0.000 0.990 314 E HN 0.391 nan 8.360 nan 0.000 0.426 315 I N 5.960 126.652 120.570 0.203 0.000 2.496 315 I HA 0.138 4.308 4.170 0.000 0.000 0.285 315 I C -1.893 174.342 176.117 0.197 0.000 1.080 315 I CA -1.999 59.451 61.300 0.250 0.000 1.404 315 I CB 0.658 38.737 38.000 0.132 0.000 1.403 315 I HN 0.321 nan 8.210 nan 0.000 0.539 316 P HA 0.073 nan 4.420 nan 0.000 0.260 316 P C -2.010 175.347 177.300 0.094 0.000 1.207 316 P CA -0.838 62.347 63.100 0.141 0.000 0.780 316 P CB 0.175 31.946 31.700 0.118 0.000 0.789 317 P HA -0.231 nan 4.420 nan 0.000 0.217 317 P C 0.424 177.758 177.300 0.057 0.000 1.148 317 P CA 1.487 64.634 63.100 0.078 0.000 0.834 317 P CB -0.084 31.664 31.700 0.081 0.000 0.783 318 D N -1.882 118.547 120.400 0.049 0.000 2.310 318 D HA -0.105 4.535 4.640 0.000 0.000 0.212 318 D C 1.406 177.721 176.300 0.025 0.000 0.965 318 D CA 0.634 54.654 54.000 0.034 0.000 0.879 318 D CB -0.385 40.432 40.800 0.029 0.000 0.921 318 D HN 0.083 nan 8.370 nan 0.000 0.510 319 L N 0.147 121.386 121.223 0.027 0.000 2.307 319 L HA 0.086 4.426 4.340 0.000 0.000 0.211 319 L C 0.405 177.286 176.870 0.019 0.000 1.099 319 L CA 0.553 55.402 54.840 0.015 0.000 0.816 319 L CB 0.055 42.114 42.059 0.002 0.000 0.952 319 L HN -0.100 nan 8.230 nan 0.000 0.455 320 V N 1.840 121.770 119.914 0.027 0.000 2.370 320 V HA 0.088 4.208 4.120 0.000 0.000 0.257 320 V C 0.418 176.538 176.094 0.044 0.000 1.064 320 V CA -0.309 62.008 62.300 0.027 0.000 0.975 320 V CB 0.507 32.346 31.823 0.027 0.000 1.067 320 V HN 0.074 nan 8.190 nan 0.000 0.485 321 L N 5.561 126.813 121.223 0.047 0.000 2.319 321 L HA 0.467 4.807 4.340 0.000 0.000 0.280 321 L C 0.222 177.121 176.870 0.048 0.000 1.099 321 L CA 0.110 54.971 54.840 0.034 0.000 0.828 321 L CB 0.909 42.983 42.059 0.025 0.000 1.150 321 L HN 0.694 nan 8.230 nan 0.000 0.442 322 E N 3.181 123.390 120.200 0.017 0.000 2.299 322 E HA 0.524 4.875 4.350 0.000 0.000 0.265 322 E C -1.386 175.159 176.600 -0.092 0.000 0.911 322 E CA -0.882 55.524 56.400 0.011 0.000 0.789 322 E CB 2.960 32.692 29.700 0.053 0.000 1.246 322 E HN 0.324 nan 8.360 nan 0.000 0.427 323 V N 1.696 121.531 119.914 -0.132 0.000 2.487 323 V HA 0.265 4.385 4.120 0.000 0.000 0.298 323 V C -0.190 175.860 176.094 -0.074 0.000 1.028 323 V CA -0.794 61.376 62.300 -0.217 0.000 0.860 323 V CB 1.700 33.176 31.823 -0.578 0.000 0.991 323 V HN 0.841 nan 8.190 nan 0.000 0.427 324 T N 3.590 118.109 114.554 -0.059 0.000 2.856 324 T HA 0.529 4.879 4.350 0.000 0.000 0.292 324 T C -0.136 174.595 174.700 0.052 0.000 0.980 324 T CA -0.775 61.319 62.100 -0.010 0.000 1.091 324 T CB 0.825 69.686 68.868 -0.012 0.000 0.936 324 T HN 0.303 nan 8.240 nan 0.000 0.503 325 M N 3.938 123.609 119.600 0.120 0.000 2.162 325 M HA 0.342 4.822 4.480 0.000 0.000 0.356 325 M C 0.333 176.802 176.300 0.282 0.000 1.303 325 M CA -0.157 55.281 55.300 0.229 0.000 1.116 325 M CB -0.036 32.777 32.600 0.354 0.000 1.632 325 M HN 0.962 nan 8.290 nan 0.000 0.469 326 E N 1.725 122.049 120.200 0.207 0.000 2.352 326 E HA 0.363 4.713 4.350 0.000 0.000 0.280 326 E C -1.338 175.289 176.600 0.045 0.000 0.930 326 E CA -0.852 55.670 56.400 0.203 0.000 0.765 326 E CB 1.861 31.664 29.700 0.171 0.000 1.219 326 E HN 0.616 nan 8.360 nan 0.000 0.434 327 H N 3.461 122.410 119.070 -0.201 0.000 2.525 327 H HA 0.179 4.735 4.556 0.000 0.000 0.339 327 H C -1.608 173.501 175.328 -0.365 0.000 1.109 327 H CA -2.030 53.793 56.048 -0.375 0.000 1.352 327 H CB 1.810 31.316 29.762 -0.428 0.000 1.461 327 H HN 0.448 nan 8.280 nan 0.000 0.533 328 P HA -0.105 nan 4.420 nan 0.000 0.221 328 P C -0.263 176.883 177.300 -0.255 0.000 1.145 328 P CA 1.354 63.958 63.100 -0.826 0.000 0.795 328 P CB 0.980 32.112 31.700 -0.947 0.000 0.775 329 K N -2.287 118.128 120.400 0.025 0.000 2.149 329 K HA 0.363 4.683 4.320 0.000 0.000 0.241 329 K C -0.534 176.032 176.600 -0.056 0.000 1.083 329 K CA -1.034 55.206 56.287 -0.079 0.000 0.885 329 K CB 0.342 32.689 32.500 -0.255 0.000 1.374 329 K HN -0.264 nan 8.250 nan 0.000 0.511 330 Y N 1.496 121.664 120.300 -0.220 0.000 2.945 330 Y HA -0.206 4.344 4.550 0.000 0.000 0.161 330 Y C 0.535 176.139 175.900 -0.492 0.000 1.672 330 Y CA -0.198 57.559 58.100 -0.571 0.000 0.920 330 Y CB -1.150 36.608 38.460 -1.170 0.000 1.489 330 Y HN 0.521 nan 8.280 nan 0.000 0.354 331 E N 1.163 121.322 120.200 -0.069 0.000 2.516 331 E HA -0.153 4.197 4.350 0.000 0.000 0.199 331 E C 1.614 178.268 176.600 0.090 0.000 1.069 331 E CA 1.087 57.500 56.400 0.022 0.000 0.876 331 E CB -0.258 29.482 29.700 0.066 0.000 0.843 331 E HN 0.933 nan 8.360 nan 0.000 0.530 332 W N -1.121 120.285 121.300 0.177 0.000 2.905 332 W HA 0.057 4.717 4.660 0.000 0.000 0.251 332 W C 1.400 177.978 176.519 0.099 0.000 1.305 332 W CA -0.412 56.998 57.345 0.109 0.000 1.465 332 W CB -1.076 28.425 29.460 0.069 0.000 1.122 332 W HN -0.092 nan 8.180 nan 0.000 0.659 333 F N 3.764 123.514 119.950 -0.333 0.000 2.126 333 F HA -0.292 4.235 4.527 0.000 0.000 0.299 333 F C 2.892 178.695 175.800 0.005 0.000 1.096 333 F CA 2.945 60.797 58.000 -0.248 0.000 1.255 333 F CB -0.270 38.499 39.000 -0.384 0.000 0.997 333 F HN -0.144 nan 8.300 nan 0.000 0.479 334 Q N 0.159 120.087 119.800 0.213 0.000 2.291 334 Q HA -0.225 4.115 4.340 0.000 0.000 0.206 334 Q C 1.535 177.591 176.000 0.093 0.000 0.976 334 Q CA 1.656 57.552 55.803 0.156 0.000 0.875 334 Q CB -1.008 27.810 28.738 0.135 0.000 0.927 334 Q HN 0.565 nan 8.270 nan 0.000 0.450 335 E N 0.454 120.720 120.200 0.110 0.000 2.409 335 E HA -0.078 4.272 4.350 0.000 0.000 0.198 335 E C 1.459 178.087 176.600 0.048 0.000 1.024 335 E CA 0.208 56.665 56.400 0.095 0.000 0.861 335 E CB 0.030 29.815 29.700 0.141 0.000 0.788 335 E HN 0.169 nan 8.360 nan 0.000 0.521 336 L N -0.302 120.912 121.223 -0.014 0.000 2.291 336 L HA 0.031 4.371 4.340 0.000 0.000 0.214 336 L C 1.504 178.368 176.870 -0.010 0.000 1.120 336 L CA 1.375 56.168 54.840 -0.078 0.000 0.799 336 L CB -0.789 41.092 42.059 -0.297 0.000 0.925 336 L HN 0.222 nan 8.230 nan 0.000 0.446 337 G N -0.003 108.808 108.800 0.017 0.000 2.272 337 G HA2 -0.266 3.694 3.960 0.000 0.000 0.280 337 G HA3 -0.266 3.694 3.960 0.000 0.000 0.280 337 G C 0.069 175.023 174.900 0.091 0.000 1.067 337 G CA 0.193 45.333 45.100 0.067 0.000 0.902 337 G HN 0.266 nan 8.290 nan 0.000 0.500 338 L N -0.728 120.489 121.223 -0.011 0.000 2.344 338 L HA 0.869 5.209 4.340 0.000 0.000 0.272 338 L C 0.552 177.320 176.870 -0.170 0.000 1.035 338 L CA -0.772 54.011 54.840 -0.094 0.000 0.807 338 L CB 1.937 43.864 42.059 -0.220 0.000 1.237 338 L HN 0.548 nan 8.230 nan 0.000 0.442 339 K N 0.442 120.629 120.400 -0.355 0.000 2.615 339 K HA 0.498 4.818 4.320 0.000 0.000 0.291 339 K C -2.055 174.592 176.600 0.077 0.000 1.017 339 K CA -1.090 55.105 56.287 -0.153 0.000 0.882 339 K CB 2.012 34.330 32.500 -0.305 0.000 1.522 339 K HN 0.557 nan 8.250 nan 0.000 0.412 340 W N 1.827 123.112 121.300 -0.025 0.000 3.213 340 W HA 0.336 4.996 4.660 0.000 0.000 0.318 340 W C -1.191 175.378 176.519 0.083 0.000 1.248 340 W CA -0.836 56.535 57.345 0.044 0.000 1.187 340 W CB 1.598 30.949 29.460 -0.182 0.000 1.403 340 W HN 0.707 nan 8.180 nan 0.000 0.556 341 Y N 0.996 121.202 120.300 -0.157 0.000 2.379 341 Y HA 0.485 5.035 4.550 0.000 0.000 0.337 341 Y C 0.759 176.847 175.900 0.313 0.000 1.238 341 Y CA 0.263 58.352 58.100 -0.020 0.000 1.405 341 Y CB 0.201 38.523 38.460 -0.230 0.000 1.310 341 Y HN 0.335 nan 8.280 nan 0.000 0.569 342 A N 2.226 125.291 122.820 0.408 0.000 2.218 342 A HA 0.187 4.507 4.320 0.000 0.000 0.209 342 A C 0.163 178.098 177.584 0.586 0.000 1.168 342 A CA 0.008 52.348 52.037 0.504 0.000 0.804 342 A CB -0.217 18.899 19.000 0.193 0.000 0.834 342 A HN 0.641 nan 8.150 nan 0.000 0.482 343 L N 1.884 123.416 121.223 0.515 0.000 2.277 343 L HA 0.428 4.768 4.340 0.000 0.000 0.284 343 L C -2.596 174.408 176.870 0.222 0.000 1.028 343 L CA -2.154 52.870 54.840 0.305 0.000 0.835 343 L CB 1.690 43.848 42.059 0.166 0.000 1.215 343 L HN -0.069 nan 8.230 nan 0.000 0.425 344 P HA 0.319 nan 4.420 nan 0.000 0.274 344 P C -1.306 175.877 177.300 -0.195 0.000 1.504 344 P CA -0.253 62.639 63.100 -0.346 0.000 1.011 344 P CB 1.122 32.237 31.700 -0.974 0.000 1.366 345 A N 4.544 127.265 122.820 -0.164 0.000 2.409 345 A HA 0.409 4.729 4.320 0.000 0.000 0.300 345 A C -0.110 177.242 177.584 -0.387 0.000 1.273 345 A CA -0.684 51.194 52.037 -0.265 0.000 0.774 345 A CB 0.870 19.728 19.000 -0.236 0.000 1.144 345 A HN 0.278 nan 8.150 nan 0.000 0.472 346 V N 2.120 121.658 119.914 -0.627 0.000 2.529 346 V HA 0.275 4.395 4.120 0.000 0.000 0.292 346 V C 1.275 176.939 176.094 -0.716 0.000 1.028 346 V CA 1.220 63.083 62.300 -0.729 0.000 1.074 346 V CB 0.897 32.042 31.823 -1.130 0.000 0.958 346 V HN 1.069 nan 8.190 nan 0.000 0.481 347 A N 4.073 126.652 122.820 -0.402 0.000 2.419 347 A HA 0.155 4.475 4.320 0.000 0.000 0.233 347 A C 1.235 178.737 177.584 -0.136 0.000 1.217 347 A CA 0.336 52.215 52.037 -0.263 0.000 0.944 347 A CB -0.124 18.762 19.000 -0.190 0.000 1.025 347 A HN 0.929 nan 8.150 nan 0.000 0.524 348 N N -1.174 117.451 118.700 -0.125 0.000 2.204 348 N HA 0.276 5.016 4.740 0.000 0.000 0.219 348 N C 0.096 175.629 175.510 0.038 0.000 1.151 348 N CA -0.285 52.744 53.050 -0.035 0.000 0.867 348 N CB 0.188 38.639 38.487 -0.061 0.000 1.043 348 N HN 0.250 nan 8.380 nan 0.000 0.516 349 M N 1.336 120.968 119.600 0.052 0.000 2.359 349 M HA 0.312 4.792 4.480 0.000 0.000 0.322 349 M C -0.540 175.905 176.300 0.243 0.000 1.166 349 M CA -0.719 54.686 55.300 0.175 0.000 1.067 349 M CB 2.309 35.036 32.600 0.211 0.000 1.523 349 M HN 0.145 nan 8.290 nan 0.000 0.467 350 L N 2.969 124.370 121.223 0.296 0.000 2.307 350 L HA 0.515 4.855 4.340 0.000 0.000 0.284 350 L C -1.247 175.855 176.870 0.386 0.000 1.023 350 L CA -0.928 54.100 54.840 0.312 0.000 0.810 350 L CB 1.258 43.462 42.059 0.242 0.000 1.231 350 L HN 0.586 nan 8.230 nan 0.000 0.423 351 L N 5.037 126.489 121.223 0.381 0.000 2.312 351 L HA 0.485 4.825 4.340 0.000 0.000 0.281 351 L C -0.508 176.524 176.870 0.270 0.000 1.070 351 L CA 0.390 55.394 54.840 0.275 0.000 0.805 351 L CB 1.151 43.351 42.059 0.235 0.000 1.174 351 L HN 0.666 nan 8.230 nan 0.000 0.434 352 E N 4.806 125.107 120.200 0.168 0.000 2.199 352 E HA 0.533 4.883 4.350 0.000 0.000 0.265 352 E C -2.038 174.576 176.600 0.024 0.000 0.882 352 E CA -0.503 55.983 56.400 0.144 0.000 0.759 352 E CB 1.984 31.847 29.700 0.271 0.000 1.148 352 E HN 0.526 nan 8.360 nan 0.000 0.412 353 V N 3.126 123.016 119.914 -0.041 0.000 2.752 353 V HA 0.510 4.630 4.120 0.000 0.000 0.302 353 V C 0.365 176.314 176.094 -0.242 0.000 1.133 353 V CA 0.492 62.655 62.300 -0.227 0.000 0.919 353 V CB 1.411 32.993 31.823 -0.402 0.000 1.026 353 V HN 0.891 nan 8.190 nan 0.000 0.429 354 G N 4.316 113.032 108.800 -0.140 0.000 2.379 354 G HA2 0.063 4.023 3.960 0.000 0.000 0.297 354 G HA3 0.063 4.023 3.960 0.000 0.000 0.297 354 G C 1.609 176.654 174.900 0.242 0.000 1.004 354 G CA 1.527 46.728 45.100 0.168 0.000 0.921 354 G HN 2.724 nan 8.290 nan 0.000 0.511 355 G N -2.061 106.805 108.800 0.111 0.000 2.268 355 G HA2 -0.232 3.728 3.960 0.000 0.000 0.240 355 G HA3 -0.232 3.728 3.960 0.000 0.000 0.240 355 G C 0.536 175.468 174.900 0.053 0.000 1.010 355 G CA 0.460 45.655 45.100 0.158 0.000 0.618 355 G HN 1.293 nan 8.290 nan 0.000 0.516 356 L N 1.437 122.640 121.223 -0.034 0.000 2.399 356 L HA 0.626 4.966 4.340 0.000 0.000 0.266 356 L C 0.444 177.177 176.870 -0.229 0.000 1.114 356 L CA -0.558 54.153 54.840 -0.215 0.000 0.804 356 L CB 1.001 42.804 42.059 -0.425 0.000 1.146 356 L HN 0.465 nan 8.230 nan 0.000 0.451 357 E N 1.723 121.731 120.200 -0.319 0.000 2.246 357 E HA 0.401 4.751 4.350 0.000 0.000 0.266 357 E C -1.594 174.844 176.600 -0.269 0.000 0.880 357 E CA -0.599 55.697 56.400 -0.174 0.000 0.762 357 E CB 1.475 31.134 29.700 -0.069 0.000 1.180 357 E HN 0.249 nan 8.360 nan 0.000 0.416 358 F N 3.140 123.112 119.950 0.037 0.000 2.303 358 F HA 0.310 4.837 4.527 0.000 0.000 0.368 358 F C -1.756 174.117 175.800 0.121 0.000 1.105 358 F CA -2.427 55.612 58.000 0.065 0.000 1.153 358 F CB 1.497 40.525 39.000 0.046 0.000 1.362 358 F HN 0.397 nan 8.300 nan 0.000 0.511 359 P HA -0.081 nan 4.420 nan 0.000 0.225 359 P C -0.141 177.310 177.300 0.252 0.000 1.148 359 P CA 0.758 63.989 63.100 0.217 0.000 0.779 359 P CB 0.418 32.226 31.700 0.180 0.000 0.780 360 A N -0.001 123.014 122.820 0.326 0.000 2.375 360 A HA 0.564 4.884 4.320 0.000 0.000 0.291 360 A C -0.401 177.431 177.584 0.413 0.000 1.160 360 A CA -0.449 51.806 52.037 0.364 0.000 0.747 360 A CB 0.355 19.588 19.000 0.388 0.000 1.170 360 A HN 0.255 nan 8.150 nan 0.000 0.458 361 C N 0.445 119.918 119.300 0.289 0.000 3.319 361 C HA 0.508 4.968 4.460 0.000 0.000 0.258 361 C C -3.224 171.843 174.990 0.127 0.000 1.068 361 C CA -1.662 57.468 59.018 0.187 0.000 1.193 361 C CB -0.509 27.346 27.740 0.191 0.000 1.770 361 C HN 0.503 nan 8.230 nan 0.000 0.604 362 P HA 0.446 nan 4.420 nan 0.000 0.268 362 P C -0.397 176.875 177.300 -0.047 0.000 1.205 362 P CA 0.569 63.579 63.100 -0.149 0.000 0.771 362 P CB 0.215 31.810 31.700 -0.175 0.000 0.858 363 F N 0.114 119.970 119.950 -0.157 0.000 2.664 363 F HA 0.739 5.266 4.527 0.000 0.000 0.317 363 F C -0.775 174.923 175.800 -0.170 0.000 1.108 363 F CA -1.019 56.897 58.000 -0.139 0.000 0.957 363 F CB 1.861 40.627 39.000 -0.391 0.000 1.365 363 F HN 0.306 nan 8.300 nan 0.000 0.475 364 N N -0.215 118.573 118.700 0.147 0.000 2.710 364 N HA 0.648 5.388 4.740 0.000 0.000 0.257 364 N C -1.449 173.989 175.510 -0.120 0.000 1.327 364 N CA -0.446 52.608 53.050 0.007 0.000 0.861 364 N CB 1.867 40.401 38.487 0.079 0.000 1.532 364 N HN 1.108 nan 8.380 nan 0.000 0.499 365 G N -0.729 107.960 108.800 -0.186 0.000 3.247 365 G HA2 0.696 4.656 3.960 0.000 0.000 0.199 365 G HA3 0.696 4.656 3.960 0.000 0.000 0.199 365 G C -1.668 173.173 174.900 -0.098 0.000 1.172 365 G CA -0.753 44.148 45.100 -0.331 0.000 0.844 365 G HN 0.693 nan 8.290 nan 0.000 0.619 366 W N -1.708 119.595 121.300 0.005 0.000 2.762 366 W HA 0.824 5.484 4.660 0.000 0.000 0.355 366 W C -1.288 175.232 176.519 0.001 0.000 1.124 366 W CA -2.084 55.281 57.345 0.032 0.000 1.141 366 W CB 0.291 29.810 29.460 0.098 0.000 1.432 366 W HN 0.394 nan 8.180 nan 0.000 0.586 367 Y N 2.038 122.540 120.300 0.336 0.000 2.314 367 Y HA 0.292 4.842 4.550 0.000 0.000 0.334 367 Y C 0.730 176.688 175.900 0.097 0.000 1.266 367 Y CA -0.753 57.413 58.100 0.109 0.000 1.391 367 Y CB 1.169 39.577 38.460 -0.086 0.000 1.306 367 Y HN 0.401 nan 8.280 nan 0.000 0.558 368 M N 1.864 121.614 119.600 0.250 0.000 2.227 368 M HA 0.394 4.874 4.480 0.000 0.000 0.335 368 M C 0.980 177.266 176.300 -0.022 0.000 1.053 368 M CA -0.227 55.143 55.300 0.118 0.000 0.973 368 M CB 1.494 34.146 32.600 0.087 0.000 1.623 368 M HN 0.825 nan 8.290 nan 0.000 0.434 369 G N 1.816 110.564 108.800 -0.087 0.000 2.547 369 G HA2 -0.323 3.637 3.960 0.000 0.000 0.221 369 G HA3 -0.323 3.637 3.960 0.000 0.000 0.221 369 G C 1.107 175.855 174.900 -0.254 0.000 1.140 369 G CA 1.896 46.872 45.100 -0.207 0.000 0.760 369 G HN 0.891 nan 8.290 nan 0.000 0.583 370 T N -1.066 113.359 114.554 -0.216 0.000 2.962 370 T HA 0.019 4.369 4.350 0.000 0.000 0.270 370 T C 1.911 176.438 174.700 -0.288 0.000 1.088 370 T CA 1.532 63.455 62.100 -0.296 0.000 1.127 370 T CB -0.193 68.443 68.868 -0.387 0.000 0.883 370 T HN 0.540 nan 8.240 nan 0.000 0.493 371 E N 0.917 120.969 120.200 -0.246 0.000 2.077 371 E HA -0.023 4.328 4.350 0.000 0.000 0.193 371 E C 2.029 178.352 176.600 -0.461 0.000 0.989 371 E CA 1.310 57.573 56.400 -0.229 0.000 0.800 371 E CB -0.252 29.454 29.700 0.011 0.000 0.746 371 E HN 0.586 nan 8.360 nan 0.000 0.452 372 I N 0.298 120.448 120.570 -0.701 0.000 2.364 372 I HA -0.049 4.121 4.170 0.000 0.000 0.241 372 I C 2.612 178.187 176.117 -0.903 0.000 1.082 372 I CA 0.899 61.503 61.300 -1.160 0.000 1.401 372 I CB -0.546 36.660 38.000 -1.323 0.000 1.126 372 I HN 0.102 nan 8.210 nan 0.000 0.429 373 G N 0.561 109.058 108.800 -0.504 0.000 2.432 373 G HA2 -0.136 3.825 3.960 0.000 0.000 0.219 373 G HA3 -0.136 3.825 3.960 0.000 0.000 0.219 373 G C 1.569 176.412 174.900 -0.096 0.000 1.135 373 G CA 1.151 46.151 45.100 -0.166 0.000 0.767 373 G HN 0.244 nan 8.290 nan 0.000 0.550 374 V N -0.453 119.341 119.914 -0.199 0.000 2.627 374 V HA 0.129 4.249 4.120 0.000 0.000 0.239 374 V C 2.680 178.691 176.094 -0.137 0.000 1.077 374 V CA 1.035 63.246 62.300 -0.149 0.000 1.103 374 V CB -0.298 31.403 31.823 -0.203 0.000 0.802 374 V HN 0.167 nan 8.190 nan 0.000 0.482 375 R N 0.239 120.617 120.500 -0.204 0.000 2.057 375 R HA -0.059 4.281 4.340 0.000 0.000 0.224 375 R C 2.101 178.314 176.300 -0.146 0.000 1.136 375 R CA 1.578 57.577 56.100 -0.168 0.000 0.968 375 R CB -0.334 29.850 30.300 -0.193 0.000 0.863 375 R HN 0.473 nan 8.270 nan 0.000 0.433 376 D N 0.118 120.327 120.400 -0.318 0.000 2.097 376 D HA -0.142 4.498 4.640 0.000 0.000 0.197 376 D C 1.724 177.991 176.300 -0.055 0.000 0.984 376 D CA 1.305 55.091 54.000 -0.357 0.000 0.826 376 D CB -0.108 39.996 40.800 -1.160 0.000 0.973 376 D HN 0.076 nan 8.370 nan 0.000 0.460 377 F N 0.459 120.305 119.950 -0.173 0.000 2.219 377 F HA 0.006 4.533 4.527 0.000 0.000 0.294 377 F C 2.445 178.287 175.800 0.070 0.000 1.086 377 F CA -0.077 57.921 58.000 -0.003 0.000 1.330 377 F CB -0.771 38.201 39.000 -0.048 0.000 1.047 377 F HN 0.028 nan 8.300 nan 0.000 0.495 378 C N -1.061 118.357 119.300 0.197 0.000 2.634 378 C HA 0.136 4.597 4.460 0.000 0.000 0.268 378 C C 0.470 175.502 174.990 0.070 0.000 1.322 378 C CA -0.742 58.346 59.018 0.117 0.000 1.737 378 C CB -0.861 26.916 27.740 0.062 0.000 1.976 378 C HN 0.111 nan 8.230 nan 0.000 0.547 379 D N 1.041 121.475 120.400 0.056 0.000 2.488 379 D HA 0.007 4.647 4.640 0.000 0.000 0.238 379 D C 1.284 177.624 176.300 0.067 0.000 1.138 379 D CA 0.594 54.618 54.000 0.041 0.000 0.873 379 D CB 0.786 41.607 40.800 0.036 0.000 1.183 379 D HN 0.123 nan 8.370 nan 0.000 0.458 380 T N 1.632 116.217 114.554 0.051 0.000 2.962 380 T HA -0.181 4.169 4.350 0.000 0.000 0.270 380 T C 1.144 175.877 174.700 0.054 0.000 1.088 380 T CA 1.252 63.384 62.100 0.053 0.000 1.127 380 T CB 0.138 69.031 68.868 0.042 0.000 0.883 380 T HN 0.310 nan 8.240 nan 0.000 0.493 381 Q N -0.100 119.737 119.800 0.062 0.000 2.319 381 Q HA 0.332 4.672 4.340 0.000 0.000 0.202 381 Q C 1.606 177.639 176.000 0.055 0.000 0.896 381 Q CA 0.045 55.886 55.803 0.063 0.000 0.942 381 Q CB 0.357 29.151 28.738 0.094 0.000 1.083 381 Q HN 0.238 nan 8.270 nan 0.000 0.510 382 R N -0.803 119.737 120.500 0.066 0.000 2.188 382 R HA 0.265 4.605 4.340 0.000 0.000 0.118 382 R C 1.096 177.387 176.300 -0.015 0.000 1.695 382 R CA -0.056 56.087 56.100 0.073 0.000 1.482 382 R CB -1.070 29.343 30.300 0.189 0.000 1.232 382 R HN 0.106 nan 8.270 nan 0.000 0.459 383 Y N 1.408 121.825 120.300 0.196 0.000 2.475 383 Y HA 0.016 4.567 4.550 0.000 0.000 0.289 383 Y C 0.515 176.496 175.900 0.135 0.000 1.121 383 Y CA 0.473 58.697 58.100 0.206 0.000 1.257 383 Y CB -0.198 38.479 38.460 0.362 0.000 1.026 383 Y HN 0.394 nan 8.280 nan 0.000 0.555 384 N N 0.922 119.753 118.700 0.218 0.000 2.686 384 N HA -0.223 4.517 4.740 0.000 0.000 0.261 384 N C 0.338 175.933 175.510 0.141 0.000 1.001 384 N CA 0.833 53.970 53.050 0.144 0.000 0.764 384 N CB -1.294 37.247 38.487 0.090 0.000 0.898 384 N HN 0.668 nan 8.380 nan 0.000 0.544 385 I N -3.299 117.366 120.570 0.157 0.000 3.883 385 I HA 0.087 4.257 4.170 0.000 0.000 0.326 385 I C 1.684 177.867 176.117 0.110 0.000 1.283 385 I CA -0.410 60.950 61.300 0.100 0.000 1.161 385 I CB -0.100 37.912 38.000 0.020 0.000 1.012 385 I HN 0.163 nan 8.210 nan 0.000 0.421 386 L N 1.455 122.764 121.223 0.144 0.000 1.990 386 L HA -0.230 4.110 4.340 0.000 0.000 0.213 386 L C 2.691 179.756 176.870 0.325 0.000 1.072 386 L CA 2.269 57.227 54.840 0.196 0.000 0.755 386 L CB -0.368 41.768 42.059 0.129 0.000 0.889 386 L HN 0.490 nan 8.230 nan 0.000 0.432 387 E N -0.211 120.167 120.200 0.296 0.000 2.077 387 E HA -0.304 4.046 4.350 0.000 0.000 0.193 387 E C 1.973 178.604 176.600 0.051 0.000 0.989 387 E CA 1.462 57.993 56.400 0.219 0.000 0.800 387 E CB 0.114 29.886 29.700 0.120 0.000 0.746 387 E HN 0.315 nan 8.360 nan 0.000 0.452 388 E N 0.065 120.286 120.200 0.036 0.000 2.077 388 E HA -0.153 4.197 4.350 0.000 0.000 0.193 388 E C 1.964 178.528 176.600 -0.060 0.000 0.989 388 E CA 1.394 57.771 56.400 -0.037 0.000 0.800 388 E CB -0.201 29.479 29.700 -0.034 0.000 0.746 388 E HN 0.160 nan 8.360 nan 0.000 0.452 389 V N 0.124 120.059 119.914 0.035 0.000 2.358 389 V HA -0.158 3.963 4.120 0.000 0.000 0.246 389 V C 2.281 178.419 176.094 0.073 0.000 1.047 389 V CA 1.856 64.218 62.300 0.103 0.000 1.035 389 V CB -1.065 30.886 31.823 0.213 0.000 0.658 389 V HN 0.486 nan 8.190 nan 0.000 0.452 390 G N -0.177 108.707 108.800 0.140 0.000 2.421 390 G HA2 -0.305 3.655 3.960 0.000 0.000 0.216 390 G HA3 -0.305 3.655 3.960 0.000 0.000 0.216 390 G C 1.702 176.538 174.900 -0.107 0.000 1.171 390 G CA 0.973 46.150 45.100 0.128 0.000 0.775 390 G HN 0.450 nan 8.290 nan 0.000 0.543 391 R N 0.284 120.671 120.500 -0.188 0.000 2.091 391 R HA -0.008 4.332 4.340 0.000 0.000 0.238 391 R C 2.618 178.737 176.300 -0.302 0.000 1.136 391 R CA 1.247 57.206 56.100 -0.236 0.000 0.959 391 R CB -0.274 29.904 30.300 -0.203 0.000 0.856 391 R HN 0.255 nan 8.270 nan 0.000 0.437 392 R N -0.405 119.834 120.500 -0.436 0.000 2.189 392 R HA 0.011 4.351 4.340 0.000 0.000 0.218 392 R C 2.009 177.812 176.300 -0.828 0.000 1.074 392 R CA 1.284 56.875 56.100 -0.849 0.000 0.991 392 R CB -0.000 29.436 30.300 -1.439 0.000 0.883 392 R HN 0.321 nan 8.270 nan 0.000 0.457 393 M N -0.905 118.468 119.600 -0.379 0.000 2.556 393 M HA 0.115 4.595 4.480 0.000 0.000 0.245 393 M C 0.755 177.037 176.300 -0.030 0.000 1.128 393 M CA 0.620 55.877 55.300 -0.073 0.000 1.069 393 M CB 0.842 33.470 32.600 0.046 0.000 1.469 393 M HN 0.373 nan 8.290 nan 0.000 0.494 394 G N 1.785 110.512 108.800 -0.121 0.000 2.160 394 G HA2 -0.227 3.733 3.960 0.000 0.000 0.244 394 G HA3 -0.227 3.733 3.960 0.000 0.000 0.244 394 G C -0.075 174.793 174.900 -0.053 0.000 1.022 394 G CA -0.200 44.848 45.100 -0.087 0.000 0.741 394 G HN 0.388 nan 8.290 nan 0.000 0.508 395 L N -0.841 120.347 121.223 -0.058 0.000 2.439 395 L HA 0.498 4.838 4.340 0.000 0.000 0.259 395 L C 0.844 177.633 176.870 -0.135 0.000 1.129 395 L CA -0.868 53.955 54.840 -0.028 0.000 0.803 395 L CB 0.485 42.594 42.059 0.084 0.000 1.161 395 L HN 0.085 nan 8.230 nan 0.000 0.462 396 E N 0.002 120.149 120.200 -0.088 0.000 2.222 396 E HA 0.008 4.358 4.350 0.000 0.000 0.312 396 E C 0.813 177.191 176.600 -0.370 0.000 1.263 396 E CA -0.021 56.302 56.400 -0.129 0.000 1.356 396 E CB -0.135 29.563 29.700 -0.003 0.000 1.180 396 E HN 0.466 nan 8.360 nan 0.000 0.494 397 T N 0.207 114.386 114.554 -0.625 0.000 2.869 397 T HA -0.184 4.166 4.350 0.000 0.000 0.270 397 T C 0.677 174.994 174.700 -0.638 0.000 1.082 397 T CA 1.308 62.684 62.100 -1.206 0.000 1.123 397 T CB -0.210 68.160 68.868 -0.830 0.000 0.856 397 T HN 0.468 nan 8.240 nan 0.000 0.499 398 H N -0.182 118.680 119.070 -0.345 0.000 2.529 398 H HA 0.297 4.853 4.556 0.000 0.000 0.277 398 H C 0.765 176.097 175.328 0.006 0.000 1.004 398 H CA 0.087 56.064 56.048 -0.118 0.000 1.167 398 H CB 0.489 30.193 29.762 -0.096 0.000 1.445 398 H HN 0.185 nan 8.280 nan 0.000 0.554 399 T N -0.222 114.413 114.554 0.135 0.000 2.963 399 T HA 0.209 4.559 4.350 0.000 0.000 0.328 399 T C 1.133 176.016 174.700 0.305 0.000 1.048 399 T CA -0.533 61.673 62.100 0.177 0.000 1.033 399 T CB 0.066 69.004 68.868 0.117 0.000 1.010 399 T HN 0.165 nan 8.240 nan 0.000 0.469 400 L N 3.581 124.976 121.223 0.286 0.000 2.043 400 L HA -0.069 4.271 4.340 0.000 0.000 0.212 400 L C 3.010 179.969 176.870 0.148 0.000 1.075 400 L CA 1.895 56.874 54.840 0.232 0.000 0.752 400 L CB -0.573 41.553 42.059 0.113 0.000 0.891 400 L HN 0.808 nan 8.230 nan 0.000 0.432 401 A N -0.311 122.583 122.820 0.124 0.000 2.178 401 A HA -0.173 4.147 4.320 0.000 0.000 0.218 401 A C 2.396 180.044 177.584 0.106 0.000 1.157 401 A CA 1.525 53.614 52.037 0.088 0.000 0.689 401 A CB -0.561 18.481 19.000 0.070 0.000 0.787 401 A HN 0.564 nan 8.150 nan 0.000 0.465 402 S N -0.528 115.274 115.700 0.171 0.000 2.515 402 S HA 0.073 4.543 4.470 0.000 0.000 0.231 402 S C 0.881 175.582 174.600 0.169 0.000 0.987 402 S CA 0.692 58.999 58.200 0.178 0.000 0.936 402 S CB -0.745 62.592 63.200 0.228 0.000 0.766 402 S HN 0.873 nan 8.310 nan 0.000 0.528 403 L N 0.401 121.699 121.223 0.124 0.000 3.865 403 L HA -0.169 4.171 4.340 0.000 0.000 0.408 403 L C 1.579 178.486 176.870 0.062 0.000 1.209 403 L CA 0.744 55.601 54.840 0.028 0.000 0.940 403 L CB -2.624 39.454 42.059 0.032 0.000 1.971 403 L HN 0.756 nan 8.230 nan 0.000 0.899 404 W N 0.139 121.458 121.300 0.031 0.000 2.388 404 W HA -0.116 4.544 4.660 0.000 0.000 0.294 404 W C 1.718 178.257 176.519 0.034 0.000 1.212 404 W CA 1.247 58.613 57.345 0.034 0.000 1.271 404 W CB -0.684 28.794 29.460 0.030 0.000 1.126 404 W HN 0.242 nan 8.180 nan 0.000 0.535 405 K N 0.925 120.848 120.400 -0.796 0.000 2.057 405 K HA -0.175 4.145 4.320 0.000 0.000 0.207 405 K C 1.525 177.960 176.600 -0.275 0.000 1.049 405 K CA 2.316 58.126 56.287 -0.796 0.000 0.931 405 K CB -0.284 31.625 32.500 -0.985 0.000 0.714 405 K HN 0.006 nan 8.250 nan 0.000 0.440 406 D N 0.263 120.554 120.400 -0.182 0.000 2.084 406 D HA -0.115 4.525 4.640 0.000 0.000 0.194 406 D C 1.931 178.235 176.300 0.006 0.000 0.990 406 D CA 1.186 55.144 54.000 -0.070 0.000 0.826 406 D CB -0.105 40.671 40.800 -0.040 0.000 0.971 406 D HN 0.113 nan 8.370 nan 0.000 0.453 407 R N 0.629 121.163 120.500 0.056 0.000 2.091 407 R HA -0.043 4.297 4.340 0.000 0.000 0.238 407 R C 2.262 178.639 176.300 0.129 0.000 1.136 407 R CA 1.289 57.455 56.100 0.110 0.000 0.959 407 R CB -0.376 30.014 30.300 0.150 0.000 0.856 407 R HN 0.152 nan 8.270 nan 0.000 0.437 408 A N 0.729 123.636 122.820 0.146 0.000 1.845 408 A HA -0.144 4.176 4.320 0.000 0.000 0.215 408 A C 2.304 179.970 177.584 0.135 0.000 1.195 408 A CA 1.545 53.685 52.037 0.173 0.000 0.616 408 A CB -1.007 18.140 19.000 0.245 0.000 0.832 408 A HN 0.197 nan 8.150 nan 0.000 0.443 409 V N 0.013 119.971 119.914 0.074 0.000 2.380 409 V HA -0.247 3.873 4.120 0.000 0.000 0.251 409 V C 2.508 178.638 176.094 0.060 0.000 1.063 409 V CA 3.001 65.332 62.300 0.051 0.000 1.055 409 V CB -0.860 30.952 31.823 -0.018 0.000 0.657 409 V HN 0.654 nan 8.190 nan 0.000 0.455 410 T N -0.710 113.886 114.554 0.070 0.000 2.904 410 T HA -0.114 4.236 4.350 0.000 0.000 0.267 410 T C 1.744 176.513 174.700 0.114 0.000 1.059 410 T CA 1.431 63.582 62.100 0.086 0.000 1.137 410 T CB -0.143 68.782 68.868 0.095 0.000 0.879 410 T HN 0.459 nan 8.240 nan 0.000 0.467 411 E N 0.786 121.076 120.200 0.149 0.000 2.152 411 E HA 0.103 4.453 4.350 0.000 0.000 0.192 411 E C 1.940 178.623 176.600 0.140 0.000 0.983 411 E CA 0.449 56.974 56.400 0.209 0.000 0.818 411 E CB -0.282 29.516 29.700 0.162 0.000 0.758 411 E HN 0.506 nan 8.360 nan 0.000 0.467 412 I N 0.657 121.316 120.570 0.149 0.000 2.353 412 I HA -0.228 3.942 4.170 0.000 0.000 0.248 412 I C 1.778 177.936 176.117 0.068 0.000 1.119 412 I CA 0.655 62.056 61.300 0.169 0.000 1.417 412 I CB -0.241 37.925 38.000 0.277 0.000 1.078 412 I HN 0.087 nan 8.210 nan 0.000 0.421 413 N N 0.657 119.383 118.700 0.044 0.000 2.166 413 N HA -0.117 4.623 4.740 0.000 0.000 0.186 413 N C 1.956 177.454 175.510 -0.021 0.000 1.019 413 N CA 1.062 54.111 53.050 -0.002 0.000 0.856 413 N CB -0.282 38.205 38.487 0.000 0.000 0.993 413 N HN 0.143 nan 8.380 nan 0.000 0.426 414 V N 1.565 121.460 119.914 -0.031 0.000 2.343 414 V HA -0.195 3.925 4.120 0.000 0.000 0.247 414 V C 2.389 178.352 176.094 -0.219 0.000 1.051 414 V CA 1.764 63.997 62.300 -0.112 0.000 1.036 414 V CB -0.849 30.899 31.823 -0.125 0.000 0.654 414 V HN 0.281 nan 8.190 nan 0.000 0.451 415 A N -0.310 122.324 122.820 -0.309 0.000 1.877 415 A HA -0.169 4.151 4.320 0.000 0.000 0.216 415 A C 2.406 179.934 177.584 -0.093 0.000 1.186 415 A CA 2.133 53.932 52.037 -0.397 0.000 0.620 415 A CB -0.755 17.671 19.000 -0.958 0.000 0.822 415 A HN 0.312 nan 8.150 nan 0.000 0.443 416 V N -0.201 119.704 119.914 -0.015 0.000 2.255 416 V HA -0.258 3.862 4.120 0.000 0.000 0.247 416 V C 2.542 178.672 176.094 0.060 0.000 1.051 416 V CA 2.065 64.402 62.300 0.063 0.000 1.018 416 V CB -0.784 31.008 31.823 -0.052 0.000 0.641 416 V HN 0.488 nan 8.190 nan 0.000 0.445 417 L N -0.410 120.807 121.223 -0.010 0.000 2.046 417 L HA -0.187 4.153 4.340 0.000 0.000 0.208 417 L C 2.438 179.346 176.870 0.063 0.000 1.077 417 L CA 2.134 56.978 54.840 0.008 0.000 0.747 417 L CB -1.497 40.562 42.059 0.001 0.000 0.896 417 L HN 0.525 nan 8.230 nan 0.000 0.432 418 H N -0.941 118.096 119.070 -0.056 0.000 2.290 418 H HA -0.136 4.420 4.556 0.000 0.000 0.298 418 H C 2.113 177.433 175.328 -0.013 0.000 1.087 418 H CA 1.834 57.837 56.048 -0.075 0.000 1.291 418 H CB 0.459 30.109 29.762 -0.187 0.000 1.369 418 H HN 0.291 nan 8.280 nan 0.000 0.492 419 S N 0.391 116.023 115.700 -0.113 0.000 2.348 419 S HA -0.140 4.330 4.470 0.000 0.000 0.221 419 S C 2.023 176.586 174.600 -0.061 0.000 1.033 419 S CA 1.365 59.495 58.200 -0.118 0.000 1.010 419 S CB -0.630 62.600 63.200 0.050 0.000 0.891 419 S HN 0.284 nan 8.310 nan 0.000 0.442 420 F N 2.056 121.946 119.950 -0.100 0.000 2.095 420 F HA -0.170 4.357 4.527 0.000 0.000 0.298 420 F C 2.716 178.461 175.800 -0.092 0.000 1.104 420 F CA 1.419 59.380 58.000 -0.066 0.000 1.232 420 F CB -0.739 38.240 39.000 -0.035 0.000 0.987 420 F HN 0.235 nan 8.300 nan 0.000 0.475 421 Q N -0.290 119.554 119.800 0.073 0.000 2.124 421 Q HA -0.229 4.111 4.340 0.000 0.000 0.202 421 Q C 2.274 178.220 176.000 -0.089 0.000 0.977 421 Q CA 1.563 57.357 55.803 -0.015 0.000 0.850 421 Q CB -0.297 28.429 28.738 -0.020 0.000 0.901 421 Q HN 0.349 nan 8.270 nan 0.000 0.429 422 K N 0.955 121.244 120.400 -0.185 0.000 2.097 422 K HA -0.157 4.164 4.320 0.000 0.000 0.205 422 K C 1.370 177.886 176.600 -0.141 0.000 1.050 422 K CA 1.191 57.354 56.287 -0.206 0.000 0.938 422 K CB 0.168 32.444 32.500 -0.374 0.000 0.718 422 K HN 0.237 nan 8.250 nan 0.000 0.442 423 Q N 0.575 120.287 119.800 -0.147 0.000 2.280 423 Q HA 0.090 4.430 4.340 0.000 0.000 0.202 423 Q C -0.619 175.313 176.000 -0.113 0.000 0.903 423 Q CA -0.189 55.534 55.803 -0.133 0.000 0.948 423 Q CB 0.316 28.950 28.738 -0.173 0.000 1.058 423 Q HN 0.299 nan 8.270 nan 0.000 0.493 424 N N -0.077 118.571 118.700 -0.087 0.000 2.735 424 N HA -0.146 4.594 4.740 0.000 0.000 0.248 424 N C -1.169 174.309 175.510 -0.053 0.000 1.083 424 N CA 0.599 53.612 53.050 -0.062 0.000 0.703 424 N CB -1.425 37.027 38.487 -0.058 0.000 1.005 424 N HN 0.041 nan 8.380 nan 0.000 0.550 425 V N 0.914 120.802 119.914 -0.043 0.000 2.417 425 V HA 0.240 4.361 4.120 0.000 0.000 0.291 425 V C 0.932 177.135 176.094 0.182 0.000 1.024 425 V CA -0.610 61.696 62.300 0.011 0.000 0.861 425 V CB 1.975 33.687 31.823 -0.186 0.000 0.985 425 V HN 0.147 nan 8.190 nan 0.000 0.436 426 T N 6.324 120.944 114.554 0.111 0.000 2.933 426 T HA 0.415 4.765 4.350 0.000 0.000 0.306 426 T C -0.228 174.561 174.700 0.148 0.000 1.045 426 T CA 0.881 62.979 62.100 -0.002 0.000 1.143 426 T CB 0.099 68.833 68.868 -0.224 0.000 1.003 426 T HN 0.606 nan 8.240 nan 0.000 0.540 427 I N 2.181 122.743 120.570 -0.012 0.000 2.793 427 I HA 0.490 4.660 4.170 0.000 0.000 0.295 427 I C -1.709 174.400 176.117 -0.013 0.000 1.610 427 I CA -0.853 60.450 61.300 0.005 0.000 0.986 427 I CB 1.832 39.721 38.000 -0.185 0.000 1.402 427 I HN 0.655 nan 8.210 nan 0.000 0.500 428 M N 6.197 125.846 119.600 0.082 0.000 2.464 428 M HA 0.414 4.894 4.480 0.000 0.000 0.308 428 M C -1.508 174.846 176.300 0.089 0.000 1.127 428 M CA -0.628 54.731 55.300 0.099 0.000 0.913 428 M CB 1.778 34.505 32.600 0.211 0.000 1.689 428 M HN 0.615 nan 8.290 nan 0.000 0.445 429 D N 1.746 122.196 120.400 0.083 0.000 2.329 429 D HA 0.055 4.695 4.640 0.000 0.000 0.246 429 D C -0.478 175.891 176.300 0.114 0.000 1.111 429 D CA -0.235 53.835 54.000 0.117 0.000 0.941 429 D CB 0.570 41.434 40.800 0.107 0.000 1.169 429 D HN 0.877 nan 8.370 nan 0.000 0.441 430 H N -1.285 117.777 119.070 -0.013 0.000 2.970 430 H HA 0.240 4.796 4.556 0.000 0.000 0.226 430 H C -0.186 174.974 175.328 -0.280 0.000 1.909 430 H CA -0.115 55.859 56.048 -0.123 0.000 1.388 430 H CB -0.146 29.497 29.762 -0.197 0.000 1.773 430 H HN 0.402 nan 8.280 nan 0.000 0.559 431 H N 0.070 119.032 119.070 -0.181 0.000 1.791 431 H HA -0.023 4.533 4.556 0.000 0.000 0.134 431 H C 1.426 176.727 175.328 -0.044 0.000 1.063 431 H CA 0.813 56.761 56.048 -0.167 0.000 0.847 431 H CB 0.380 30.003 29.762 -0.231 0.000 0.609 431 H HN 0.488 nan 8.280 nan 0.000 0.298 432 T N 1.777 116.401 114.554 0.116 0.000 2.777 432 T HA -0.041 4.309 4.350 0.000 0.000 0.266 432 T C 2.087 176.855 174.700 0.113 0.000 1.040 432 T CA 1.414 63.571 62.100 0.096 0.000 1.141 432 T CB -0.264 68.652 68.868 0.081 0.000 0.868 432 T HN 0.385 nan 8.240 nan 0.000 0.444 433 A N 1.360 124.250 122.820 0.117 0.000 1.898 433 A HA -0.057 4.263 4.320 0.000 0.000 0.216 433 A C 2.622 180.297 177.584 0.152 0.000 1.181 433 A CA 1.800 53.922 52.037 0.143 0.000 0.620 433 A CB -0.876 18.204 19.000 0.133 0.000 0.819 433 A HN 0.422 nan 8.150 nan 0.000 0.442 434 S N -0.101 115.662 115.700 0.105 0.000 2.359 434 S HA -0.182 4.288 4.470 0.000 0.000 0.224 434 S C 1.841 176.547 174.600 0.176 0.000 1.035 434 S CA 1.584 59.857 58.200 0.122 0.000 1.018 434 S CB -0.354 62.872 63.200 0.044 0.000 0.876 434 S HN 0.692 nan 8.310 nan 0.000 0.448 435 E N 1.105 121.386 120.200 0.135 0.000 2.110 435 E HA -0.124 4.226 4.350 0.000 0.000 0.193 435 E C 2.429 179.106 176.600 0.128 0.000 0.988 435 E CA 1.382 57.855 56.400 0.122 0.000 0.804 435 E CB -0.210 29.546 29.700 0.094 0.000 0.745 435 E HN 0.636 nan 8.360 nan 0.000 0.458 436 S N 0.677 116.465 115.700 0.146 0.000 2.387 436 S HA -0.157 4.313 4.470 0.000 0.000 0.226 436 S C 1.926 176.625 174.600 0.165 0.000 1.026 436 S CA 0.477 58.762 58.200 0.142 0.000 0.972 436 S CB -0.473 62.817 63.200 0.149 0.000 0.814 436 S HN 0.301 nan 8.310 nan 0.000 0.477 437 F N 2.348 122.355 119.950 0.094 0.000 2.171 437 F HA 0.045 4.572 4.527 0.000 0.000 0.300 437 F C 2.276 178.162 175.800 0.143 0.000 1.090 437 F CA 1.402 59.474 58.000 0.120 0.000 1.293 437 F CB -0.337 38.713 39.000 0.082 0.000 1.013 437 F HN 0.107 nan 8.300 nan 0.000 0.486 438 M N 0.027 119.678 119.600 0.084 0.000 2.213 438 M HA -0.166 4.314 4.480 0.000 0.000 0.263 438 M C 2.142 178.409 176.300 -0.054 0.000 1.062 438 M CA 1.449 56.753 55.300 0.006 0.000 1.105 438 M CB -1.082 31.578 32.600 0.101 0.000 1.385 438 M HN 0.105 nan 8.290 nan 0.000 0.417 439 K N -0.373 120.023 120.400 -0.006 0.000 2.103 439 K HA -0.167 4.153 4.320 0.000 0.000 0.204 439 K C 1.959 178.545 176.600 -0.023 0.000 1.052 439 K CA 1.488 57.776 56.287 0.002 0.000 0.945 439 K CB -0.473 32.052 32.500 0.040 0.000 0.722 439 K HN 0.345 nan 8.250 nan 0.000 0.443 440 H N -0.222 118.755 119.070 -0.156 0.000 2.353 440 H HA -0.035 4.521 4.556 0.000 0.000 0.300 440 H C 1.954 177.128 175.328 -0.257 0.000 1.090 440 H CA 2.372 58.305 56.048 -0.192 0.000 1.327 440 H CB -0.103 29.514 29.762 -0.241 0.000 1.383 440 H HN 0.231 nan 8.280 nan 0.000 0.508 441 M N 0.239 119.531 119.600 -0.514 0.000 2.086 441 M HA -0.228 4.253 4.480 0.000 0.000 0.261 441 M C 2.506 178.741 176.300 -0.108 0.000 1.067 441 M CA 2.265 57.318 55.300 -0.412 0.000 1.116 441 M CB -0.127 32.259 32.600 -0.357 0.000 1.348 441 M HN 0.660 nan 8.290 nan 0.000 0.407 442 Q N -0.687 119.061 119.800 -0.088 0.000 2.170 442 Q HA -0.183 4.157 4.340 0.000 0.000 0.203 442 Q C 1.368 177.360 176.000 -0.013 0.000 0.976 442 Q CA 1.613 57.407 55.803 -0.014 0.000 0.858 442 Q CB -0.547 28.175 28.738 -0.026 0.000 0.907 442 Q HN 0.475 nan 8.270 nan 0.000 0.433 443 N N 0.918 119.570 118.700 -0.080 0.000 2.106 443 N HA -0.128 4.612 4.740 0.000 0.000 0.188 443 N C 1.671 177.109 175.510 -0.121 0.000 1.029 443 N CA 1.391 54.399 53.050 -0.070 0.000 0.848 443 N CB -0.157 38.305 38.487 -0.043 0.000 1.007 443 N HN 0.333 nan 8.380 nan 0.000 0.423 444 E N 0.128 120.164 120.200 -0.273 0.000 2.077 444 E HA -0.138 4.213 4.350 0.000 0.000 0.193 444 E C 1.880 178.314 176.600 -0.275 0.000 0.989 444 E CA 0.760 56.951 56.400 -0.348 0.000 0.800 444 E CB -0.388 28.973 29.700 -0.564 0.000 0.746 444 E HN 0.493 nan 8.360 nan 0.000 0.452 445 Y N 1.233 121.438 120.300 -0.158 0.000 2.224 445 Y HA -0.201 4.349 4.550 0.000 0.000 0.289 445 Y C 2.587 178.448 175.900 -0.065 0.000 1.146 445 Y CA 2.007 60.053 58.100 -0.090 0.000 1.182 445 Y CB -0.066 38.351 38.460 -0.071 0.000 0.983 445 Y HN 0.096 nan 8.280 nan 0.000 0.524 446 R N -0.494 120.039 120.500 0.056 0.000 2.200 446 R HA 0.179 4.519 4.340 0.000 0.000 0.208 446 R C 1.976 178.271 176.300 -0.009 0.000 1.033 446 R CA 0.990 57.107 56.100 0.027 0.000 1.000 446 R CB -0.485 29.831 30.300 0.027 0.000 0.906 446 R HN 0.113 nan 8.270 nan 0.000 0.462 447 A N 2.075 124.870 122.820 -0.042 0.000 1.903 447 A HA -0.001 4.319 4.320 0.000 0.000 0.213 447 A C 1.739 179.284 177.584 -0.064 0.000 1.185 447 A CA 0.946 52.957 52.037 -0.043 0.000 0.628 447 A CB -0.096 18.879 19.000 -0.043 0.000 0.830 447 A HN 0.494 nan 8.150 nan 0.000 0.446 448 R N -2.367 118.062 120.500 -0.118 0.000 2.582 448 R HA 0.392 4.732 4.340 0.000 0.000 0.453 448 R C 0.641 176.848 176.300 -0.156 0.000 0.969 448 R CA 0.298 56.324 56.100 -0.123 0.000 1.113 448 R CB -0.781 29.437 30.300 -0.137 0.000 1.507 448 R HN 0.762 nan 8.270 nan 0.000 0.587 449 G N 0.037 108.744 108.800 -0.155 0.000 2.356 449 G HA2 -0.041 3.919 3.960 0.000 0.000 0.296 449 G HA3 -0.041 3.919 3.960 0.000 0.000 0.296 449 G C 0.287 174.965 174.900 -0.370 0.000 1.022 449 G CA 0.372 45.380 45.100 -0.155 0.000 0.961 449 G HN 1.022 nan 8.290 nan 0.000 0.510 450 G N -2.604 105.711 108.800 -0.809 0.000 2.340 450 G HA2 0.545 4.505 3.960 0.000 0.000 0.300 450 G HA3 0.545 4.505 3.960 0.000 0.000 0.300 450 G C -0.888 173.560 174.900 -0.752 0.000 1.488 450 G CA 0.202 44.702 45.100 -1.000 0.000 0.878 450 G HN 1.849 nan 8.290 nan 0.000 0.618 451 C N 2.514 121.529 119.300 -0.476 0.000 2.887 451 C HA 0.660 5.120 4.460 0.000 0.000 0.379 451 C C -2.522 172.349 174.990 -0.197 0.000 1.064 451 C CA -1.180 57.679 59.018 -0.265 0.000 1.282 451 C CB 1.205 28.815 27.740 -0.216 0.000 1.749 451 C HN 0.695 nan 8.230 nan 0.000 0.489 452 P HA 0.358 nan 4.420 nan 0.000 0.265 452 P C -0.587 176.585 177.300 -0.214 0.000 1.222 452 P CA 0.648 63.327 63.100 -0.703 0.000 0.767 452 P CB 0.901 32.163 31.700 -0.730 0.000 0.801 453 A N 3.051 125.813 122.820 -0.096 0.000 2.374 453 A HA 0.413 4.733 4.320 0.000 0.000 0.305 453 A C -0.718 176.903 177.584 0.063 0.000 1.053 453 A CA -0.553 51.526 52.037 0.069 0.000 0.726 453 A CB 1.156 20.310 19.000 0.256 0.000 1.229 453 A HN 0.428 nan 8.150 nan 0.000 0.431 454 D N 2.282 122.710 120.400 0.047 0.000 2.485 454 D HA 0.105 4.745 4.640 0.000 0.000 0.221 454 D C 0.861 177.275 176.300 0.190 0.000 1.112 454 D CA -0.613 53.450 54.000 0.106 0.000 0.911 454 D CB 0.069 40.894 40.800 0.042 0.000 1.019 454 D HN 0.605 nan 8.370 nan 0.000 0.516 455 W N 4.099 125.411 121.300 0.020 0.000 2.290 455 W HA -0.287 4.373 4.660 0.000 0.000 0.311 455 W C 1.668 178.199 176.519 0.019 0.000 1.238 455 W CA 1.459 58.804 57.345 0.000 0.000 1.255 455 W CB -0.092 29.352 29.460 -0.026 0.000 1.145 455 W HN 0.465 nan 8.180 nan 0.000 0.506 456 I N -1.373 119.488 120.570 0.485 0.000 2.335 456 I HA -0.300 3.871 4.170 0.000 0.000 0.251 456 I C 1.807 178.032 176.117 0.181 0.000 1.129 456 I CA 1.425 62.954 61.300 0.381 0.000 1.402 456 I CB -0.651 37.571 38.000 0.369 0.000 1.069 456 I HN 0.095 nan 8.210 nan 0.000 0.424 457 W N 0.265 121.542 121.300 -0.039 0.000 2.630 457 W HA 0.126 4.786 4.660 0.000 0.000 0.271 457 W C 2.258 178.661 176.519 -0.193 0.000 1.244 457 W CA 0.289 57.575 57.345 -0.099 0.000 1.353 457 W CB -0.296 29.120 29.460 -0.073 0.000 1.080 457 W HN -0.061 nan 8.180 nan 0.000 0.594 458 L N -0.189 120.990 121.223 -0.073 0.000 2.141 458 L HA -0.050 4.290 4.340 0.000 0.000 0.209 458 L C 0.655 177.311 176.870 -0.357 0.000 1.094 458 L CA 0.422 55.083 54.840 -0.298 0.000 0.763 458 L CB -1.055 40.714 42.059 -0.483 0.000 0.908 458 L HN -0.392 nan 8.230 nan 0.000 0.437 459 V N 1.326 120.963 119.914 -0.461 0.000 2.470 459 V HA 0.121 4.241 4.120 0.000 0.000 0.276 459 V C -1.826 174.095 176.094 -0.289 0.000 1.040 459 V CA -1.286 60.732 62.300 -0.470 0.000 1.008 459 V CB 0.462 31.804 31.823 -0.801 0.000 0.990 459 V HN 0.037 nan 8.190 nan 0.000 0.477 460 P HA 0.105 nan 4.420 nan 0.000 0.267 460 P C -2.035 175.153 177.300 -0.186 0.000 1.201 460 P CA -0.858 62.139 63.100 -0.172 0.000 0.775 460 P CB 0.018 31.672 31.700 -0.077 0.000 0.854 461 P HA -0.042 nan 4.420 nan 0.000 0.239 461 P C -0.302 176.896 177.300 -0.170 0.000 1.184 461 P CA 0.802 63.784 63.100 -0.196 0.000 0.760 461 P CB 0.036 31.604 31.700 -0.221 0.000 0.884 462 V N -7.404 112.397 119.914 -0.187 0.000 3.147 462 V HA 0.544 4.664 4.120 0.000 0.000 0.306 462 V C 0.328 176.388 176.094 -0.056 0.000 1.209 462 V CA -0.955 61.264 62.300 -0.135 0.000 1.023 462 V CB 1.435 33.151 31.823 -0.178 0.000 1.059 462 V HN -0.134 nan 8.190 nan 0.000 0.435 463 S N 0.527 116.225 115.700 -0.003 0.000 3.521 463 S HA -0.213 4.257 4.470 0.000 0.000 0.328 463 S C 1.602 176.170 174.600 -0.052 0.000 1.165 463 S CA 1.487 59.702 58.200 0.025 0.000 0.941 463 S CB -1.649 61.639 63.200 0.147 0.000 0.951 463 S HN 2.131 nan 8.310 nan 0.000 0.539 464 G N 2.430 111.179 108.800 -0.085 0.000 2.802 464 G HA2 -0.383 3.577 3.960 0.000 0.000 0.222 464 G HA3 -0.383 3.577 3.960 0.000 0.000 0.222 464 G C 1.458 176.167 174.900 -0.319 0.000 1.248 464 G CA 1.907 46.942 45.100 -0.109 0.000 0.787 464 G HN 1.391 nan 8.290 nan 0.000 0.643 465 S N 0.125 115.357 115.700 -0.779 0.000 2.547 465 S HA 0.080 4.550 4.470 0.000 0.000 0.235 465 S C 2.086 176.590 174.600 -0.159 0.000 0.980 465 S CA 0.774 58.355 58.200 -1.032 0.000 0.941 465 S CB -0.065 62.434 63.200 -1.168 0.000 0.763 465 S HN 0.240 nan 8.310 nan 0.000 0.532 466 I N 2.794 123.313 120.570 -0.086 0.000 2.617 466 I HA 0.015 4.186 4.170 0.000 0.000 0.256 466 I C 1.534 177.715 176.117 0.106 0.000 1.167 466 I CA 0.781 62.111 61.300 0.050 0.000 1.469 466 I CB -1.990 36.068 38.000 0.096 0.000 1.098 466 I HN 0.487 nan 8.210 nan 0.000 0.436 467 T N -0.056 114.530 114.554 0.055 0.000 2.910 467 T HA 0.241 4.591 4.350 0.000 0.000 0.293 467 T C -1.352 173.465 174.700 0.195 0.000 1.015 467 T CA -1.499 60.643 62.100 0.071 0.000 1.094 467 T CB 1.835 70.684 68.868 -0.032 0.000 0.968 467 T HN 0.005 nan 8.240 nan 0.000 0.521 468 P HA -0.010 nan 4.420 nan 0.000 0.229 468 P C 1.706 179.176 177.300 0.282 0.000 1.160 468 P CA 0.555 63.820 63.100 0.274 0.000 0.777 468 P CB -0.297 31.510 31.700 0.179 0.000 0.814 469 V N -3.913 116.111 119.914 0.182 0.000 2.759 469 V HA -0.170 3.950 4.120 0.000 0.000 0.256 469 V C 2.296 178.420 176.094 0.050 0.000 1.080 469 V CA 1.062 63.432 62.300 0.117 0.000 1.101 469 V CB -2.184 29.630 31.823 -0.014 0.000 0.698 469 V HN -0.110 nan 8.190 nan 0.000 0.477 470 F N 1.909 121.788 119.950 -0.119 0.000 2.171 470 F HA -0.108 4.419 4.527 0.000 0.000 0.300 470 F C 2.366 178.224 175.800 0.095 0.000 1.090 470 F CA 2.004 59.925 58.000 -0.130 0.000 1.293 470 F CB -0.305 38.538 39.000 -0.262 0.000 1.013 470 F HN 0.286 nan 8.300 nan 0.000 0.486 471 H N -0.920 118.449 119.070 0.498 0.000 2.526 471 H HA 0.122 4.679 4.556 0.000 0.000 0.274 471 H C 0.215 175.685 175.328 0.236 0.000 0.999 471 H CA 0.118 56.378 56.048 0.352 0.000 1.157 471 H CB -0.095 29.848 29.762 0.302 0.000 1.407 471 H HN 0.228 nan 8.280 nan 0.000 0.568 472 Q N 2.000 122.003 119.800 0.337 0.000 2.340 472 Q HA 0.153 4.493 4.340 0.000 0.000 0.259 472 Q C -0.620 175.543 176.000 0.272 0.000 0.964 472 Q CA -0.363 55.596 55.803 0.260 0.000 0.900 472 Q CB 0.675 29.560 28.738 0.245 0.000 1.228 472 Q HN 0.238 nan 8.270 nan 0.000 0.449 473 E N 4.193 124.480 120.200 0.145 0.000 2.344 473 E HA 0.307 4.657 4.350 0.000 0.000 0.270 473 E C -0.370 176.313 176.600 0.139 0.000 1.021 473 E CA 0.133 56.585 56.400 0.087 0.000 0.887 473 E CB 0.622 30.334 29.700 0.020 0.000 0.997 473 E HN 0.632 nan 8.360 nan 0.000 0.429 474 M N 1.654 121.354 119.600 0.168 0.000 2.550 474 M HA 0.484 4.964 4.480 0.000 0.000 0.292 474 M C -1.221 175.183 176.300 0.173 0.000 1.221 474 M CA -0.970 54.456 55.300 0.208 0.000 0.873 474 M CB 1.510 34.282 32.600 0.286 0.000 1.727 474 M HN 0.206 nan 8.290 nan 0.000 0.459 475 L N 2.276 123.623 121.223 0.208 0.000 2.287 475 L HA 0.483 4.823 4.340 0.000 0.000 0.287 475 L C -0.640 176.309 176.870 0.132 0.000 1.022 475 L CA -0.632 54.347 54.840 0.232 0.000 0.814 475 L CB 1.471 43.758 42.059 0.380 0.000 1.217 475 L HN 0.730 nan 8.230 nan 0.000 0.420 476 N N 3.770 122.537 118.700 0.112 0.000 2.422 476 N HA 0.447 5.187 4.740 0.000 0.000 0.266 476 N C -1.429 174.131 175.510 0.083 0.000 1.007 476 N CA -0.152 52.894 53.050 -0.006 0.000 0.941 476 N CB 0.572 39.082 38.487 0.039 0.000 1.115 476 N HN 0.392 nan 8.380 nan 0.000 0.492 477 Y N -0.119 120.189 120.300 0.014 0.000 2.581 477 Y HA 0.585 5.135 4.550 0.000 0.000 0.337 477 Y C -1.200 174.652 175.900 -0.080 0.000 1.108 477 Y CA -1.385 56.694 58.100 -0.034 0.000 1.033 477 Y CB 0.613 39.054 38.460 -0.033 0.000 1.318 477 Y HN 0.005 nan 8.280 nan 0.000 0.459 478 V N 4.234 124.138 119.914 -0.018 0.000 2.364 478 V HA 0.389 4.509 4.120 0.000 0.000 0.272 478 V C 0.134 176.086 176.094 -0.236 0.000 1.036 478 V CA -0.364 61.705 62.300 -0.385 0.000 0.880 478 V CB 0.537 31.951 31.823 -0.681 0.000 0.991 478 V HN 0.750 nan 8.190 nan 0.000 0.460 479 L N 2.971 124.095 121.223 -0.165 0.000 2.693 479 L HA 0.762 5.102 4.340 0.000 0.000 0.253 479 L C 0.248 177.090 176.870 -0.047 0.000 1.155 479 L CA -0.521 54.305 54.840 -0.023 0.000 1.026 479 L CB 1.571 43.676 42.059 0.076 0.000 1.817 479 L HN 0.614 nan 8.230 nan 0.000 0.556 480 S N -0.892 114.822 115.700 0.024 0.000 2.543 480 S HA 0.513 4.983 4.470 0.000 0.000 0.271 480 S C -2.723 171.916 174.600 0.065 0.000 1.148 480 S CA -1.006 57.219 58.200 0.041 0.000 0.914 480 S CB 1.853 65.059 63.200 0.010 0.000 1.096 480 S HN 0.137 nan 8.310 nan 0.000 0.471 481 P HA 0.427 nan 4.420 nan 0.000 0.269 481 P C -1.269 175.995 177.300 -0.060 0.000 1.217 481 P CA 0.006 63.072 63.100 -0.056 0.000 0.783 481 P CB 0.214 31.823 31.700 -0.152 0.000 0.898 482 F N 0.467 120.202 119.950 -0.358 0.000 2.665 482 F HA 0.404 4.931 4.527 0.000 0.000 0.308 482 F C -1.623 173.844 175.800 -0.555 0.000 1.112 482 F CA -0.718 56.980 58.000 -0.503 0.000 0.972 482 F CB 1.127 39.804 39.000 -0.539 0.000 1.295 482 F HN 0.158 nan 8.300 nan 0.000 0.440 483 Y N 4.334 124.198 120.300 -0.726 0.000 2.335 483 Y HA 0.483 5.033 4.550 0.000 0.000 0.339 483 Y C -0.883 174.747 175.900 -0.449 0.000 0.987 483 Y CA -0.708 57.150 58.100 -0.403 0.000 1.140 483 Y CB 0.568 38.785 38.460 -0.405 0.000 1.173 483 Y HN 0.395 nan 8.280 nan 0.000 0.486 484 Y N 1.074 121.443 120.300 0.114 0.000 2.602 484 Y HA 0.437 4.987 4.550 0.000 0.000 0.330 484 Y C -0.340 175.594 175.900 0.056 0.000 1.114 484 Y CA -1.170 56.982 58.100 0.086 0.000 1.182 484 Y CB 0.944 39.496 38.460 0.153 0.000 1.305 484 Y HN 0.414 nan 8.280 nan 0.000 0.502 485 Y N 0.445 120.906 120.300 0.267 0.000 2.282 485 Y HA 0.409 4.959 4.550 0.000 0.000 0.335 485 Y C -0.053 175.909 175.900 0.105 0.000 1.335 485 Y CA -1.128 57.047 58.100 0.125 0.000 1.529 485 Y CB 0.567 39.072 38.460 0.075 0.000 1.429 485 Y HN 0.419 nan 8.280 nan 0.000 0.563 486 Q N 0.040 119.964 119.800 0.207 0.000 2.456 486 Q HA 0.427 4.767 4.340 0.000 0.000 0.284 486 Q C -1.599 174.372 176.000 -0.048 0.000 1.061 486 Q CA -1.184 54.655 55.803 0.061 0.000 0.799 486 Q CB 2.696 31.448 28.738 0.023 0.000 1.445 486 Q HN 0.365 nan 8.270 nan 0.000 0.411 487 I N 1.619 122.127 120.570 -0.103 0.000 2.696 487 I HA -0.006 4.164 4.170 0.000 0.000 0.284 487 I C 0.079 175.977 176.117 -0.365 0.000 1.129 487 I CA 0.178 61.364 61.300 -0.190 0.000 1.410 487 I CB 0.483 38.386 38.000 -0.161 0.000 1.399 487 I HN 0.448 nan 8.210 nan 0.000 0.579 488 E N 8.187 128.058 120.200 -0.549 0.000 2.493 488 E HA -0.029 4.321 4.350 0.000 0.000 0.255 488 E C -1.459 174.443 176.600 -1.164 0.000 0.999 488 E CA -0.679 55.069 56.400 -1.087 0.000 0.934 488 E CB 0.058 28.837 29.700 -1.536 0.000 0.940 488 E HN 0.401 nan 8.360 nan 0.000 0.473 489 P HA -0.214 nan 4.420 nan 0.000 0.217 489 P C 0.715 177.442 177.300 -0.956 0.000 1.148 489 P CA 1.481 63.982 63.100 -0.998 0.000 0.828 489 P CB -0.105 30.791 31.700 -1.340 0.000 0.783 490 W N 0.976 121.737 121.300 -0.899 0.000 2.525 490 W HA 0.114 4.774 4.660 0.000 0.000 0.259 490 W C 1.770 178.208 176.519 -0.135 0.000 1.253 490 W CA 0.498 57.561 57.345 -0.470 0.000 1.262 490 W CB -1.373 27.947 29.460 -0.232 0.000 1.122 490 W HN -0.098 nan 8.180 nan 0.000 0.607 491 K N 0.486 120.659 120.400 -0.377 0.000 2.186 491 K HA 0.018 4.338 4.320 0.000 0.000 0.202 491 K C 0.734 177.283 176.600 -0.086 0.000 1.052 491 K CA 1.457 57.641 56.287 -0.171 0.000 0.965 491 K CB -0.214 32.123 32.500 -0.272 0.000 0.746 491 K HN 0.140 nan 8.250 nan 0.000 0.457 492 T N -0.956 113.524 114.554 -0.123 0.000 3.390 492 T HA 0.326 4.676 4.350 0.000 0.000 0.351 492 T C -0.989 173.763 174.700 0.087 0.000 1.759 492 T CA -0.794 61.286 62.100 -0.032 0.000 1.561 492 T CB 0.073 68.898 68.868 -0.072 0.000 1.011 492 T HN 0.165 nan 8.240 nan 0.000 0.689 493 H N 1.815 120.903 119.070 0.031 0.000 3.094 493 H HA 0.618 5.174 4.556 0.000 0.000 0.346 493 H C -1.452 173.960 175.328 0.140 0.000 1.238 493 H CA -1.057 55.058 56.048 0.113 0.000 1.209 493 H CB 1.405 31.307 29.762 0.234 0.000 1.911 493 H HN 0.558 nan 8.280 nan 0.000 0.540 494 I N 0.840 121.148 120.570 -0.437 0.000 2.689 494 I HA 0.203 4.373 4.170 0.000 0.000 0.299 494 I C 0.393 176.438 176.117 -0.121 0.000 1.059 494 I CA -0.961 60.258 61.300 -0.136 0.000 1.055 494 I CB 1.140 39.106 38.000 -0.057 0.000 1.243 494 I HN 0.904 nan 8.210 nan 0.000 0.425 495 W N 3.317 124.601 121.300 -0.026 0.000 2.335 495 W HA -0.129 4.531 4.660 0.000 0.000 0.311 495 W C 1.105 177.616 176.519 -0.014 0.000 1.213 495 W CA 2.131 59.494 57.345 0.030 0.000 1.274 495 W CB 0.421 29.907 29.460 0.043 0.000 1.148 495 W HN 0.768 nan 8.180 nan 0.000 0.498 496 Q N 0.000 120.041 119.800 0.402 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.961 55.803 0.263 0.000 1.022 496 Q CB 0.000 28.918 28.738 0.300 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481