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 1vaf_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.118 176.000 0.197 0.000 1.003 77 Q CA 0.000 55.813 55.803 0.017 0.000 1.022 77 Q CB 0.000 28.636 28.738 -0.171 0.000 1.108 78 Y N -0.292 120.093 120.300 0.142 0.000 2.289 78 Y HA 0.694 5.244 4.550 0.000 0.000 0.332 78 Y C -0.313 175.616 175.900 0.047 0.000 1.324 78 Y CA -0.880 57.281 58.100 0.103 0.000 1.478 78 Y CB 0.415 38.909 38.460 0.057 0.000 1.378 78 Y HN 0.113 nan 8.280 nan 0.000 0.558 79 V N 2.825 122.920 119.914 0.301 0.000 2.378 79 V HA 0.364 4.484 4.120 0.000 0.000 0.288 79 V C 0.013 176.235 176.094 0.213 0.000 1.016 79 V CA -1.053 61.312 62.300 0.108 0.000 0.840 79 V CB 0.964 32.706 31.823 -0.135 0.000 0.994 79 V HN 0.777 nan 8.190 nan 0.000 0.431 80 R N 4.038 124.655 120.500 0.195 0.000 2.489 80 R HA 0.461 4.801 4.340 0.000 0.000 0.287 80 R C -0.873 175.469 176.300 0.069 0.000 1.053 80 R CA 0.192 56.389 56.100 0.162 0.000 1.036 80 R CB 0.397 30.771 30.300 0.123 0.000 0.966 80 R HN 0.663 nan 8.270 nan 0.000 0.432 81 I N 3.701 124.288 120.570 0.029 0.000 2.569 81 I HA 0.287 4.457 4.170 0.000 0.000 0.290 81 I C -0.903 175.156 176.117 -0.096 0.000 1.088 81 I CA -0.651 60.632 61.300 -0.028 0.000 1.047 81 I CB 1.884 39.855 38.000 -0.049 0.000 1.237 81 I HN 0.559 nan 8.210 nan 0.000 0.421 82 K N 5.608 125.943 120.400 -0.109 0.000 2.385 82 K HA 0.388 4.708 4.320 0.000 0.000 0.248 82 K C -1.111 175.372 176.600 -0.195 0.000 0.955 82 K CA -0.749 55.397 56.287 -0.234 0.000 0.816 82 K CB 1.791 34.014 32.500 -0.461 0.000 1.250 82 K HN 0.507 nan 8.250 nan 0.000 0.434 83 N N 3.276 121.869 118.700 -0.178 0.000 2.437 83 N HA 0.093 4.834 4.740 0.000 0.000 0.259 83 N C -0.139 175.326 175.510 -0.075 0.000 0.983 83 N CA -0.276 52.774 53.050 -0.000 0.000 0.937 83 N CB 0.475 38.984 38.487 0.038 0.000 1.122 83 N HN 0.635 nan 8.380 nan 0.000 0.499 84 W N 2.425 123.804 121.300 0.131 0.000 2.678 84 W HA 0.214 4.874 4.660 0.000 0.000 0.256 84 W C 2.097 178.658 176.519 0.069 0.000 1.280 84 W CA 0.322 57.733 57.345 0.111 0.000 1.345 84 W CB 0.084 29.638 29.460 0.156 0.000 1.118 84 W HN 0.700 nan 8.180 nan 0.000 0.629 85 G N -0.677 108.265 108.800 0.237 0.000 2.453 85 G HA2 -0.140 3.820 3.960 0.000 0.000 0.215 85 G HA3 -0.140 3.820 3.960 0.000 0.000 0.215 85 G C 1.454 176.372 174.900 0.031 0.000 1.147 85 G CA 1.187 46.314 45.100 0.045 0.000 0.802 85 G HN 0.263 nan 8.290 nan 0.000 0.535 86 S N -1.607 114.113 115.700 0.033 0.000 2.526 86 S HA 0.387 4.857 4.470 0.000 0.000 0.220 86 S C 1.928 176.504 174.600 -0.041 0.000 1.017 86 S CA 1.020 59.218 58.200 -0.003 0.000 0.930 86 S CB 0.399 63.599 63.200 0.000 0.000 0.856 86 S HN 1.394 nan 8.310 nan 0.000 0.497 87 G N 1.767 110.521 108.800 -0.075 0.000 2.257 87 G HA2 -0.352 3.608 3.960 0.000 0.000 0.267 87 G HA3 -0.352 3.608 3.960 0.000 0.000 0.267 87 G C -0.062 174.738 174.900 -0.166 0.000 0.984 87 G CA 0.531 45.541 45.100 -0.150 0.000 0.626 87 G HN 0.757 nan 8.290 nan 0.000 0.540 88 E N 0.982 121.108 120.200 -0.124 0.000 2.465 88 E HA 0.292 4.642 4.350 0.000 0.000 0.260 88 E C 0.272 176.769 176.600 -0.172 0.000 0.980 88 E CA 0.034 56.355 56.400 -0.132 0.000 0.927 88 E CB 0.045 29.682 29.700 -0.105 0.000 0.934 88 E HN 0.462 nan 8.360 nan 0.000 0.459 89 I N 5.043 125.507 120.570 -0.178 0.000 2.607 89 I HA 0.359 4.529 4.170 0.000 0.000 0.305 89 I C 0.028 176.007 176.117 -0.231 0.000 0.995 89 I CA -0.878 60.313 61.300 -0.181 0.000 1.148 89 I CB 1.243 39.168 38.000 -0.126 0.000 1.323 89 I HN 0.455 nan 8.210 nan 0.000 0.461 90 L N 3.904 124.992 121.223 -0.226 0.000 2.303 90 L HA 0.517 4.857 4.340 0.000 0.000 0.256 90 L C -1.016 175.808 176.870 -0.077 0.000 1.034 90 L CA -0.814 53.825 54.840 -0.334 0.000 0.832 90 L CB 2.325 44.017 42.059 -0.610 0.000 1.403 90 L HN 0.532 nan 8.230 nan 0.000 0.419 91 H N -0.017 118.902 119.070 -0.252 0.000 2.727 91 H HA 0.206 4.762 4.556 0.000 0.000 0.330 91 H C -1.383 174.002 175.328 0.096 0.000 0.986 91 H CA -0.789 55.145 56.048 -0.190 0.000 1.251 91 H CB 2.310 31.644 29.762 -0.713 0.000 1.493 91 H HN 0.412 nan 8.280 nan 0.000 0.515 92 D N 2.801 123.392 120.400 0.319 0.000 2.313 92 D HA 0.027 4.667 4.640 0.000 0.000 0.239 92 D C 0.901 177.349 176.300 0.247 0.000 1.142 92 D CA -0.058 54.154 54.000 0.353 0.000 0.847 92 D CB 1.456 42.440 40.800 0.306 0.000 1.082 92 D HN 0.733 nan 8.370 nan 0.000 0.480 93 T N 1.112 115.729 114.554 0.105 0.000 3.018 93 T HA -0.065 4.285 4.350 0.000 0.000 0.246 93 T C 1.979 176.425 174.700 -0.423 0.000 1.026 93 T CA -0.193 61.791 62.100 -0.193 0.000 1.081 93 T CB -0.101 68.775 68.868 0.014 0.000 0.970 93 T HN 0.250 nan 8.240 nan 0.000 0.475 94 L N 3.323 124.438 121.223 -0.180 0.000 2.137 94 L HA -0.192 4.148 4.340 0.000 0.000 0.213 94 L C 2.622 179.257 176.870 -0.392 0.000 1.085 94 L CA 2.157 56.889 54.840 -0.180 0.000 0.760 94 L CB -0.976 41.061 42.059 -0.036 0.000 0.893 94 L HN 0.609 nan 8.230 nan 0.000 0.434 95 H N -2.094 116.488 119.070 -0.814 0.000 2.457 95 H HA -0.224 4.332 4.556 0.000 0.000 0.297 95 H C 1.851 176.890 175.328 -0.482 0.000 1.092 95 H CA 1.989 57.297 56.048 -1.232 0.000 1.309 95 H CB -1.354 27.719 29.762 -1.149 0.000 1.382 95 H HN 0.623 nan 8.280 nan 0.000 0.535 96 H N 1.418 119.965 119.070 -0.871 0.000 2.492 96 H HA -0.046 4.510 4.556 0.000 0.000 0.296 96 H C 1.218 176.390 175.328 -0.259 0.000 1.095 96 H CA 1.083 56.804 56.048 -0.545 0.000 1.281 96 H CB 0.203 29.699 29.762 -0.445 0.000 1.374 96 H HN 0.437 nan 8.280 nan 0.000 0.545 97 K N 0.787 121.132 120.400 -0.092 0.000 2.469 97 K HA 0.276 4.596 4.320 0.000 0.000 0.201 97 K C 0.246 176.846 176.600 0.001 0.000 1.028 97 K CA -0.261 56.013 56.287 -0.023 0.000 1.170 97 K CB 0.931 33.430 32.500 -0.002 0.000 0.874 97 K HN 0.123 nan 8.250 nan 0.000 0.507 98 A N 1.079 123.889 122.820 -0.017 0.000 2.462 98 A HA 0.121 4.441 4.320 0.000 0.000 0.243 98 A C 1.006 178.611 177.584 0.036 0.000 1.076 98 A CA -0.189 51.871 52.037 0.040 0.000 0.773 98 A CB 0.322 19.355 19.000 0.055 0.000 1.010 98 A HN 0.184 nan 8.150 nan 0.000 0.493 99 T N 1.628 116.201 114.554 0.031 0.000 2.536 99 T HA 0.028 4.378 4.350 0.000 0.000 0.236 99 T C 1.240 175.968 174.700 0.048 0.000 1.227 99 T CA 1.479 63.596 62.100 0.030 0.000 1.505 99 T CB -0.291 68.582 68.868 0.008 0.000 0.969 99 T HN 0.674 nan 8.240 nan 0.000 0.390 100 S N 0.548 116.279 115.700 0.052 0.000 2.647 100 S HA 0.344 4.814 4.470 0.000 0.000 0.284 100 S C -0.463 174.186 174.600 0.082 0.000 1.134 100 S CA -0.774 57.461 58.200 0.058 0.000 1.027 100 S CB 0.357 63.584 63.200 0.045 0.000 1.180 100 S HN 0.381 nan 8.310 nan 0.000 0.521 101 D N 0.663 121.106 120.400 0.071 0.000 2.414 101 D HA 0.283 4.923 4.640 0.000 0.000 0.242 101 D C -0.254 176.115 176.300 0.115 0.000 1.129 101 D CA 0.169 54.225 54.000 0.094 0.000 0.885 101 D CB 0.261 41.096 40.800 0.058 0.000 1.198 101 D HN 0.208 nan 8.370 nan 0.000 0.437 102 F N 0.520 120.482 119.950 0.020 0.000 2.190 102 F HA 0.079 4.606 4.527 0.000 0.000 0.286 102 F C 1.989 177.803 175.800 0.024 0.000 1.025 102 F CA -0.203 57.806 58.000 0.016 0.000 1.135 102 F CB 0.076 39.093 39.000 0.028 0.000 1.748 102 F HN 0.213 nan 8.300 nan 0.000 0.542 103 T N -0.122 114.081 114.554 -0.586 0.000 2.995 103 T HA -0.016 4.334 4.350 0.000 0.000 0.269 103 T C 0.531 175.249 174.700 0.029 0.000 1.091 103 T CA 0.598 62.527 62.100 -0.285 0.000 1.128 103 T CB -0.836 67.835 68.868 -0.329 0.000 0.891 103 T HN 0.280 nan 8.240 nan 0.000 0.492 104 C N 2.744 122.158 119.300 0.189 0.000 2.365 104 C HA 0.451 4.911 4.460 0.000 0.000 0.351 104 C C 0.718 175.767 174.990 0.098 0.000 1.240 104 C CA -1.477 57.627 59.018 0.144 0.000 2.062 104 C CB 0.690 28.535 27.740 0.175 0.000 2.387 104 C HN 0.429 nan 8.230 nan 0.000 0.537 105 K N 1.648 122.087 120.400 0.066 0.000 2.098 105 K HA 0.259 4.579 4.320 0.000 0.000 0.257 105 K C 1.164 177.790 176.600 0.044 0.000 0.999 105 K CA -0.096 56.219 56.287 0.047 0.000 0.924 105 K CB 0.808 33.328 32.500 0.034 0.000 1.028 105 K HN 0.809 nan 8.250 nan 0.000 0.466 106 S N 1.708 117.429 115.700 0.035 0.000 2.374 106 S HA -0.203 4.268 4.470 0.000 0.000 0.227 106 S C 1.157 175.771 174.600 0.023 0.000 1.037 106 S CA 1.129 59.346 58.200 0.028 0.000 1.024 106 S CB -0.191 63.023 63.200 0.022 0.000 0.861 106 S HN 0.586 nan 8.310 nan 0.000 0.456 107 K N 0.351 120.764 120.400 0.021 0.000 2.358 107 K HA 0.372 4.692 4.320 0.000 0.000 0.200 107 K C 0.028 176.638 176.600 0.017 0.000 1.030 107 K CA -0.007 56.289 56.287 0.016 0.000 1.097 107 K CB 0.720 33.227 32.500 0.013 0.000 0.862 107 K HN 0.285 nan 8.250 nan 0.000 0.534 108 S N 0.290 116.004 115.700 0.024 0.000 2.536 108 S HA 0.293 4.763 4.470 0.000 0.000 0.271 108 S C -1.634 172.988 174.600 0.037 0.000 1.134 108 S CA -0.737 57.478 58.200 0.026 0.000 0.897 108 S CB 1.594 64.808 63.200 0.024 0.000 1.094 108 S HN 0.285 nan 8.310 nan 0.000 0.473 109 C N 6.006 125.329 119.300 0.037 0.000 2.281 109 C HA 0.708 5.168 4.460 0.000 0.000 0.323 109 C C -0.248 174.780 174.990 0.063 0.000 1.270 109 C CA -0.559 58.492 59.018 0.054 0.000 1.559 109 C CB -1.258 26.505 27.740 0.039 0.000 2.239 109 C HN 0.807 nan 8.230 nan 0.000 0.488 110 L N 6.127 127.400 121.223 0.084 0.000 3.034 110 L HA 0.355 4.695 4.340 0.000 0.000 0.245 110 L C 1.906 178.851 176.870 0.125 0.000 1.295 110 L CA 0.534 55.423 54.840 0.083 0.000 1.068 110 L CB 0.050 42.144 42.059 0.057 0.000 1.426 110 L HN 0.962 nan 8.230 nan 0.000 0.531 111 G N -0.504 108.383 108.800 0.146 0.000 2.559 111 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 111 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 111 G C 1.407 176.426 174.900 0.199 0.000 1.126 111 G CA 1.012 46.231 45.100 0.198 0.000 0.778 111 G HN 0.522 nan 8.290 nan 0.000 0.543 112 S N -0.159 115.636 115.700 0.157 0.000 2.577 112 S HA 0.331 4.801 4.470 0.000 0.000 0.219 112 S C 0.642 175.341 174.600 0.164 0.000 0.962 112 S CA -0.582 57.719 58.200 0.170 0.000 0.921 112 S CB 0.090 63.365 63.200 0.126 0.000 0.789 112 S HN 0.001 nan 8.310 nan 0.000 0.497 113 I N 2.735 123.390 120.570 0.142 0.000 2.452 113 I HA 0.198 4.368 4.170 0.000 0.000 0.287 113 I C 1.539 177.748 176.117 0.155 0.000 1.079 113 I CA -0.032 61.338 61.300 0.116 0.000 1.387 113 I CB 0.055 38.097 38.000 0.069 0.000 1.404 113 I HN 0.303 nan 8.210 nan 0.000 0.522 114 M N 5.073 124.775 119.600 0.170 0.000 2.062 114 M HA -0.138 4.342 4.480 0.000 0.000 0.259 114 M C 0.420 176.815 176.300 0.158 0.000 1.076 114 M CA 1.909 57.347 55.300 0.230 0.000 1.122 114 M CB -0.279 32.450 32.600 0.215 0.000 1.312 114 M HN 0.544 nan 8.290 nan 0.000 0.412 115 N N 1.269 120.014 118.700 0.075 0.000 3.228 115 N HA 0.222 4.962 4.740 0.000 0.000 0.289 115 N C -2.414 173.134 175.510 0.064 0.000 1.419 115 N CA -1.005 52.069 53.050 0.040 0.000 1.088 115 N CB 0.291 38.732 38.487 -0.077 0.000 1.357 115 N HN 0.238 nan 8.380 nan 0.000 0.504 116 P HA 0.111 nan 4.420 nan 0.000 0.277 116 P C 0.039 177.337 177.300 -0.004 0.000 1.240 116 P CA -0.394 62.697 63.100 -0.015 0.000 0.798 116 P CB 1.787 33.416 31.700 -0.118 0.000 0.979 117 K N 0.560 120.945 120.400 -0.026 0.000 2.283 117 K HA -0.074 4.246 4.320 0.000 0.000 0.202 117 K C 1.936 178.522 176.600 -0.023 0.000 1.048 117 K CA 1.633 57.916 56.287 -0.007 0.000 0.948 117 K CB -0.253 32.237 32.500 -0.017 0.000 0.742 117 K HN 0.553 nan 8.250 nan 0.000 0.458 118 S N 0.431 116.058 115.700 -0.122 0.000 2.474 118 S HA -0.063 4.407 4.470 0.000 0.000 0.235 118 S C 1.499 176.031 174.600 -0.113 0.000 0.997 118 S CA 0.666 58.757 58.200 -0.182 0.000 0.949 118 S CB 0.032 62.949 63.200 -0.472 0.000 0.766 118 S HN 0.091 nan 8.310 nan 0.000 0.517 119 L N 1.438 122.626 121.223 -0.060 0.000 2.728 119 L HA 0.457 4.797 4.340 0.000 0.000 0.238 119 L C 0.046 177.032 176.870 0.194 0.000 1.143 119 L CA 0.458 55.307 54.840 0.015 0.000 0.937 119 L CB 0.156 42.194 42.059 -0.034 0.000 1.225 119 L HN 0.232 nan 8.230 nan 0.000 0.507 120 T N -0.636 114.076 114.554 0.263 0.000 2.885 120 T HA 0.568 4.918 4.350 0.000 0.000 0.285 120 T C -0.497 174.307 174.700 0.173 0.000 1.019 120 T CA -0.524 61.741 62.100 0.276 0.000 1.010 120 T CB 2.452 71.431 68.868 0.186 0.000 1.022 120 T HN -0.139 nan 8.240 nan 0.000 0.466 121 R N 1.375 121.926 120.500 0.086 0.000 2.472 121 R HA 0.571 4.911 4.340 0.000 0.000 0.294 121 R C 0.297 176.564 176.300 -0.055 0.000 1.243 121 R CA -0.360 55.669 56.100 -0.120 0.000 1.023 121 R CB 0.240 30.302 30.300 -0.396 0.000 1.157 121 R HN 0.842 nan 8.270 nan 0.000 0.530 122 G N 2.659 111.427 108.800 -0.053 0.000 2.508 122 G HA2 0.333 4.294 3.960 0.000 0.000 0.278 122 G HA3 0.333 4.294 3.960 0.000 0.000 0.278 122 G C -2.013 172.850 174.900 -0.062 0.000 1.389 122 G CA -1.250 43.818 45.100 -0.053 0.000 1.050 122 G HN 0.463 nan 8.290 nan 0.000 0.522 123 P HA 0.199 nan 4.420 nan 0.000 0.262 123 P C -0.129 177.138 177.300 -0.056 0.000 1.182 123 P CA 0.164 63.227 63.100 -0.062 0.000 0.761 123 P CB 0.610 32.269 31.700 -0.067 0.000 0.795 124 R N 2.367 122.835 120.500 -0.054 0.000 2.674 124 R HA 0.369 4.709 4.340 0.000 0.000 0.266 124 R C 0.403 176.670 176.300 -0.055 0.000 1.016 124 R CA -0.117 55.953 56.100 -0.052 0.000 1.062 124 R CB 0.696 30.966 30.300 -0.050 0.000 1.142 124 R HN 0.366 nan 8.270 nan 0.000 0.517 125 D N -0.603 119.767 120.400 -0.051 0.000 2.415 125 D HA 0.221 4.861 4.640 0.000 0.000 0.269 125 D C -0.690 175.578 176.300 -0.053 0.000 1.099 125 D CA 0.503 54.470 54.000 -0.055 0.000 0.865 125 D CB 0.609 41.383 40.800 -0.044 0.000 1.359 125 D HN 0.409 nan 8.370 nan 0.000 0.506 126 K N -0.275 120.100 120.400 -0.040 0.000 2.399 126 K HA 0.518 4.838 4.320 0.000 0.000 0.260 126 K C -2.761 173.826 176.600 -0.022 0.000 1.049 126 K CA -1.950 54.319 56.287 -0.029 0.000 0.890 126 K CB 1.409 33.897 32.500 -0.020 0.000 1.430 126 K HN -0.239 nan 8.250 nan 0.000 0.459 127 P HA -0.025 nan 4.420 nan 0.000 0.273 127 P C -0.652 176.645 177.300 -0.006 0.000 1.250 127 P CA -0.237 62.862 63.100 -0.003 0.000 0.793 127 P CB 0.340 32.045 31.700 0.010 0.000 1.011 128 T N -1.296 113.257 114.554 -0.001 0.000 2.806 128 T HA 0.408 4.758 4.350 0.000 0.000 0.290 128 T C -2.451 172.250 174.700 0.002 0.000 0.966 128 T CA -2.226 59.873 62.100 -0.001 0.000 1.060 128 T CB -0.148 68.725 68.868 0.008 0.000 0.927 128 T HN 0.111 nan 8.240 nan 0.000 0.485 129 P HA 0.011 nan 4.420 nan 0.000 0.259 129 P C 1.102 178.392 177.300 -0.016 0.000 1.163 129 P CA 0.088 63.179 63.100 -0.014 0.000 0.760 129 P CB 0.249 31.935 31.700 -0.023 0.000 0.762 130 L N 3.170 124.387 121.223 -0.009 0.000 2.127 130 L HA -0.222 4.118 4.340 0.000 0.000 0.211 130 L C 2.397 179.249 176.870 -0.030 0.000 1.089 130 L CA 1.450 56.285 54.840 -0.010 0.000 0.757 130 L CB -0.798 41.258 42.059 -0.005 0.000 0.899 130 L HN 0.524 nan 8.230 nan 0.000 0.434 131 E N 1.636 121.814 120.200 -0.036 0.000 2.085 131 E HA -0.290 4.061 4.350 0.000 0.000 0.194 131 E C 1.535 178.084 176.600 -0.085 0.000 0.994 131 E CA 1.990 58.360 56.400 -0.050 0.000 0.801 131 E CB -0.380 29.294 29.700 -0.043 0.000 0.743 131 E HN 0.806 nan 8.360 nan 0.000 0.453 132 E N 0.637 120.773 120.200 -0.106 0.000 2.400 132 E HA 0.093 4.443 4.350 0.000 0.000 0.195 132 E C 2.460 178.911 176.600 -0.250 0.000 1.012 132 E CA -0.041 56.230 56.400 -0.215 0.000 0.875 132 E CB -0.243 29.338 29.700 -0.198 0.000 0.859 132 E HN 0.227 nan 8.360 nan 0.000 0.498 133 L N 0.616 121.787 121.223 -0.087 0.000 2.044 133 L HA -0.072 4.268 4.340 0.000 0.000 0.205 133 L C 2.372 179.246 176.870 0.007 0.000 1.075 133 L CA 0.646 55.493 54.840 0.012 0.000 0.747 133 L CB -0.085 42.009 42.059 0.058 0.000 0.903 133 L HN 0.219 nan 8.230 nan 0.000 0.435 134 L N 0.638 121.838 121.223 -0.038 0.000 2.042 134 L HA -0.098 4.242 4.340 0.000 0.000 0.210 134 L C -0.657 176.194 176.870 -0.032 0.000 1.076 134 L CA 1.995 56.803 54.840 -0.054 0.000 0.749 134 L CB -1.533 40.495 42.059 -0.052 0.000 0.893 134 L HN 0.120 nan 8.230 nan 0.000 0.432 135 P HA -0.136 nan 4.420 nan 0.000 0.214 135 P C 1.234 178.601 177.300 0.111 0.000 1.162 135 P CA 1.558 64.650 63.100 -0.013 0.000 0.879 135 P CB -0.177 31.463 31.700 -0.100 0.000 0.786 136 H N -0.376 118.732 119.070 0.063 0.000 2.352 136 H HA -0.036 4.520 4.556 0.000 0.000 0.299 136 H C 1.992 177.411 175.328 0.152 0.000 1.097 136 H CA 1.414 57.525 56.048 0.106 0.000 1.311 136 H CB -1.253 28.571 29.762 0.103 0.000 1.377 136 H HN 0.023 nan 8.280 nan 0.000 0.504 137 A N 1.545 124.501 122.820 0.226 0.000 1.873 137 A HA -0.170 4.150 4.320 0.000 0.000 0.218 137 A C 2.429 180.087 177.584 0.124 0.000 1.193 137 A CA 1.826 53.922 52.037 0.098 0.000 0.629 137 A CB -0.659 18.132 19.000 -0.349 0.000 0.826 137 A HN 0.254 nan 8.150 nan 0.000 0.447 138 I N -0.122 120.492 120.570 0.073 0.000 2.264 138 I HA -0.218 3.952 4.170 0.000 0.000 0.248 138 I C 2.386 178.601 176.117 0.163 0.000 1.111 138 I CA 1.968 63.324 61.300 0.093 0.000 1.382 138 I CB -1.567 36.468 38.000 0.058 0.000 1.060 138 I HN 0.429 nan 8.210 nan 0.000 0.418 139 E N 1.322 121.639 120.200 0.195 0.000 2.033 139 E HA -0.276 4.074 4.350 0.000 0.000 0.199 139 E C 2.162 178.918 176.600 0.260 0.000 1.011 139 E CA 1.595 58.123 56.400 0.214 0.000 0.815 139 E CB -0.572 29.267 29.700 0.232 0.000 0.755 139 E HN 0.336 nan 8.360 nan 0.000 0.451 140 F N 0.822 120.874 119.950 0.171 0.000 2.051 140 F HA -0.178 4.349 4.527 0.000 0.000 0.296 140 F C 2.012 177.931 175.800 0.199 0.000 1.122 140 F CA 1.351 59.471 58.000 0.201 0.000 1.201 140 F CB -0.630 38.507 39.000 0.229 0.000 0.978 140 F HN 0.050 nan 8.300 nan 0.000 0.472 141 I N 1.203 121.763 120.570 -0.017 0.000 2.113 141 I HA -0.408 3.762 4.170 0.000 0.000 0.242 141 I C 2.205 178.338 176.117 0.025 0.000 1.057 141 I CA 1.716 62.992 61.300 -0.040 0.000 1.314 141 I CB -1.712 36.394 38.000 0.177 0.000 1.022 141 I HN 0.296 nan 8.210 nan 0.000 0.408 142 N N 0.580 119.366 118.700 0.142 0.000 2.104 142 N HA -0.247 4.494 4.740 0.000 0.000 0.190 142 N C 1.861 177.349 175.510 -0.036 0.000 1.024 142 N CA 1.310 54.447 53.050 0.145 0.000 0.853 142 N CB -0.405 38.217 38.487 0.224 0.000 1.008 142 N HN 0.571 nan 8.380 nan 0.000 0.424 143 Q N -0.171 119.619 119.800 -0.018 0.000 2.084 143 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 143 Q C 2.028 177.891 176.000 -0.229 0.000 0.978 143 Q CA 1.132 56.932 55.803 -0.005 0.000 0.844 143 Q CB -0.177 28.673 28.738 0.187 0.000 0.898 143 Q HN 0.431 nan 8.270 nan 0.000 0.426 144 Y N 0.141 119.996 120.300 -0.741 0.000 2.089 144 Y HA -0.289 4.261 4.550 0.000 0.000 0.282 144 Y C 1.650 176.872 175.900 -1.130 0.000 1.139 144 Y CA 2.014 59.248 58.100 -1.443 0.000 1.123 144 Y CB -0.783 36.790 38.460 -1.479 0.000 0.980 144 Y HN 0.158 nan 8.280 nan 0.000 0.493 145 Y N 0.335 120.233 120.300 -0.671 0.000 2.403 145 Y HA -0.081 4.469 4.550 0.000 0.000 0.291 145 Y C 2.633 178.345 175.900 -0.313 0.000 1.143 145 Y CA 1.364 59.209 58.100 -0.426 0.000 1.257 145 Y CB -0.898 37.222 38.460 -0.568 0.000 0.984 145 Y HN 0.292 nan 8.280 nan 0.000 0.550 146 G N -1.297 107.343 108.800 -0.267 0.000 2.484 146 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 146 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 146 G C 1.840 176.637 174.900 -0.171 0.000 1.130 146 G CA 0.956 45.979 45.100 -0.128 0.000 0.784 146 G HN 0.473 nan 8.290 nan 0.000 0.543 147 S N 0.232 115.690 115.700 -0.403 0.000 2.419 147 S HA 0.075 4.545 4.470 0.000 0.000 0.233 147 S C 0.846 175.253 174.600 -0.322 0.000 1.016 147 S CA -0.107 57.890 58.200 -0.340 0.000 0.974 147 S CB -0.445 62.458 63.200 -0.495 0.000 0.786 147 S HN 0.030 nan 8.310 nan 0.000 0.492 148 F N 2.784 122.568 119.950 -0.278 0.000 2.563 148 F HA 0.399 4.926 4.527 0.000 0.000 0.363 148 F C 0.925 176.665 175.800 -0.101 0.000 1.123 148 F CA -0.434 57.446 58.000 -0.201 0.000 1.307 148 F CB 0.361 39.230 39.000 -0.217 0.000 1.115 148 F HN -0.007 nan 8.300 nan 0.000 0.592 149 K N 4.789 125.289 120.400 0.167 0.000 2.276 149 K HA 0.088 4.408 4.320 0.000 0.000 0.285 149 K C -0.231 176.410 176.600 0.069 0.000 1.062 149 K CA -0.224 56.112 56.287 0.082 0.000 0.918 149 K CB 0.082 32.616 32.500 0.057 0.000 1.055 149 K HN 0.772 nan 8.250 nan 0.000 0.477 150 E N 1.845 122.071 120.200 0.044 0.000 4.395 150 E HA -0.230 4.121 4.350 0.000 0.000 0.190 150 E C -0.971 175.630 176.600 0.002 0.000 1.926 150 E CA 0.634 57.044 56.400 0.017 0.000 1.001 150 E CB -1.577 28.122 29.700 -0.002 0.000 1.026 150 E HN 0.590 nan 8.360 nan 0.000 0.337 151 A N 3.988 126.822 122.820 0.023 0.000 2.387 151 A HA 0.241 4.561 4.320 0.000 0.000 0.251 151 A C 0.372 177.922 177.584 -0.057 0.000 1.113 151 A CA 0.431 52.477 52.037 0.016 0.000 0.794 151 A CB 0.380 19.425 19.000 0.075 0.000 1.069 151 A HN 0.553 nan 8.150 nan 0.000 0.506 152 K N 1.161 121.517 120.400 -0.073 0.000 2.800 152 K HA 0.295 4.615 4.320 0.000 0.000 0.185 152 K C -0.004 176.543 176.600 -0.090 0.000 1.082 152 K CA -0.310 55.911 56.287 -0.110 0.000 0.978 152 K CB 0.326 32.720 32.500 -0.178 0.000 1.364 152 K HN 0.509 nan 8.250 nan 0.000 0.592 153 I N 1.494 122.038 120.570 -0.043 0.000 2.147 153 I HA -0.460 3.710 4.170 0.000 0.000 0.245 153 I C 2.579 178.639 176.117 -0.095 0.000 1.059 153 I CA 1.731 63.007 61.300 -0.040 0.000 1.320 153 I CB -0.618 37.359 38.000 -0.038 0.000 1.021 153 I HN 0.539 nan 8.210 nan 0.000 0.415 154 E N 1.672 121.817 120.200 -0.092 0.000 2.012 154 E HA -0.294 4.056 4.350 0.000 0.000 0.197 154 E C 2.008 178.530 176.600 -0.129 0.000 1.007 154 E CA 1.882 58.225 56.400 -0.095 0.000 0.816 154 E CB -1.037 28.620 29.700 -0.071 0.000 0.762 154 E HN 0.640 nan 8.360 nan 0.000 0.451 155 E N 0.204 120.314 120.200 -0.149 0.000 2.070 155 E HA -0.257 4.094 4.350 0.000 0.000 0.197 155 E C 2.268 178.608 176.600 -0.433 0.000 1.004 155 E CA 1.514 57.797 56.400 -0.196 0.000 0.805 155 E CB -0.372 29.255 29.700 -0.121 0.000 0.744 155 E HN 0.537 nan 8.360 nan 0.000 0.451 156 H N 0.332 118.922 119.070 -0.800 0.000 2.289 156 H HA -0.153 4.403 4.556 0.000 0.000 0.296 156 H C 2.303 177.378 175.328 -0.423 0.000 1.091 156 H CA 1.425 56.887 56.048 -0.976 0.000 1.274 156 H CB 0.015 29.441 29.762 -0.561 0.000 1.364 156 H HN 0.084 nan 8.280 nan 0.000 0.490 157 L N 0.216 121.277 121.223 -0.270 0.000 2.093 157 L HA -0.133 4.207 4.340 0.000 0.000 0.208 157 L C 3.080 179.871 176.870 -0.133 0.000 1.085 157 L CA 0.772 55.471 54.840 -0.235 0.000 0.755 157 L CB -0.513 41.432 42.059 -0.191 0.000 0.904 157 L HN 0.372 nan 8.230 nan 0.000 0.435 158 A N 0.542 123.295 122.820 -0.113 0.000 1.865 158 A HA -0.272 4.048 4.320 0.000 0.000 0.217 158 A C 2.397 179.970 177.584 -0.019 0.000 1.191 158 A CA 2.097 54.099 52.037 -0.058 0.000 0.623 158 A CB -0.532 18.439 19.000 -0.047 0.000 0.826 158 A HN 0.305 nan 8.150 nan 0.000 0.444 159 R N -0.042 120.457 120.500 -0.001 0.000 2.096 159 R HA 0.033 4.373 4.340 0.000 0.000 0.235 159 R C 1.885 178.227 176.300 0.070 0.000 1.127 159 R CA 1.467 57.619 56.100 0.087 0.000 0.968 159 R CB -0.958 29.479 30.300 0.227 0.000 0.861 159 R HN 0.521 nan 8.270 nan 0.000 0.440 160 L N 0.187 121.432 121.223 0.037 0.000 2.042 160 L HA -0.181 4.159 4.340 0.000 0.000 0.210 160 L C 2.578 179.436 176.870 -0.019 0.000 1.076 160 L CA 2.070 56.916 54.840 0.009 0.000 0.749 160 L CB -0.445 41.577 42.059 -0.061 0.000 0.893 160 L HN 0.423 nan 8.230 nan 0.000 0.432 161 E N -0.167 120.016 120.200 -0.028 0.000 2.046 161 E HA -0.208 4.142 4.350 0.000 0.000 0.190 161 E C 2.221 178.817 176.600 -0.007 0.000 0.982 161 E CA 0.964 57.349 56.400 -0.025 0.000 0.800 161 E CB -0.009 29.673 29.700 -0.030 0.000 0.756 161 E HN 0.446 nan 8.360 nan 0.000 0.449 162 A N 0.645 123.471 122.820 0.010 0.000 1.948 162 A HA -0.176 4.144 4.320 0.000 0.000 0.220 162 A C 2.350 179.957 177.584 0.038 0.000 1.177 162 A CA 1.660 53.715 52.037 0.030 0.000 0.636 162 A CB -0.642 18.388 19.000 0.050 0.000 0.815 162 A HN 0.239 nan 8.150 nan 0.000 0.449 163 V N -0.474 119.455 119.914 0.026 0.000 2.488 163 V HA -0.170 3.950 4.120 0.000 0.000 0.246 163 V C 2.690 178.751 176.094 -0.055 0.000 1.046 163 V CA 2.243 64.538 62.300 -0.007 0.000 1.053 163 V CB -1.225 30.537 31.823 -0.101 0.000 0.679 163 V HN 0.623 nan 8.190 nan 0.000 0.458 164 T N -0.246 114.275 114.554 -0.054 0.000 2.746 164 T HA -0.181 4.169 4.350 0.000 0.000 0.267 164 T C 1.995 176.683 174.700 -0.019 0.000 1.039 164 T CA 1.149 63.219 62.100 -0.050 0.000 1.142 164 T CB -0.213 68.631 68.868 -0.041 0.000 0.866 164 T HN 0.301 nan 8.240 nan 0.000 0.444 165 K N 1.276 121.673 120.400 -0.004 0.000 2.001 165 K HA -0.138 4.182 4.320 0.000 0.000 0.214 165 K C 2.309 178.922 176.600 0.023 0.000 1.050 165 K CA 1.513 57.806 56.287 0.009 0.000 0.934 165 K CB -0.690 31.819 32.500 0.014 0.000 0.718 165 K HN 0.507 nan 8.250 nan 0.000 0.443 166 E N 0.617 120.840 120.200 0.039 0.000 2.086 166 E HA -0.207 4.143 4.350 0.000 0.000 0.200 166 E C 2.125 178.767 176.600 0.069 0.000 1.012 166 E CA 1.437 57.877 56.400 0.066 0.000 0.812 166 E CB -0.090 29.675 29.700 0.108 0.000 0.743 166 E HN 0.260 nan 8.360 nan 0.000 0.453 167 I N 0.487 121.090 120.570 0.055 0.000 2.179 167 I HA -0.249 3.921 4.170 0.000 0.000 0.242 167 I C 2.480 178.617 176.117 0.033 0.000 1.088 167 I CA 1.240 62.572 61.300 0.053 0.000 1.357 167 I CB -0.411 37.592 38.000 0.005 0.000 1.051 167 I HN 0.179 nan 8.210 nan 0.000 0.409 168 E N 0.517 120.727 120.200 0.016 0.000 2.049 168 E HA -0.264 4.086 4.350 0.000 0.000 0.198 168 E C 2.249 178.860 176.600 0.019 0.000 1.007 168 E CA 2.450 58.856 56.400 0.012 0.000 0.809 168 E CB -0.130 29.573 29.700 0.004 0.000 0.749 168 E HN 0.619 nan 8.360 nan 0.000 0.450 169 T N -1.784 112.784 114.554 0.024 0.000 2.812 169 T HA -0.112 4.238 4.350 0.000 0.000 0.264 169 T C 2.159 176.877 174.700 0.031 0.000 1.042 169 T CA 1.789 63.904 62.100 0.025 0.000 1.140 169 T CB -0.452 68.431 68.868 0.026 0.000 0.870 169 T HN 0.244 nan 8.240 nan 0.000 0.445 170 T N -2.655 111.924 114.554 0.042 0.000 3.040 170 T HA 0.515 4.865 4.350 0.000 0.000 0.252 170 T C 1.947 176.674 174.700 0.046 0.000 1.064 170 T CA 0.862 62.989 62.100 0.045 0.000 1.110 170 T CB -0.100 68.800 68.868 0.055 0.000 0.921 170 T HN 1.034 nan 8.240 nan 0.000 0.480 171 G N 0.074 108.905 108.800 0.052 0.000 2.201 171 G HA2 -0.038 3.922 3.960 0.000 0.000 0.212 171 G HA3 -0.038 3.922 3.960 0.000 0.000 0.212 171 G C 0.201 175.144 174.900 0.072 0.000 0.994 171 G CA 0.363 45.493 45.100 0.050 0.000 0.644 171 G HN 1.110 nan 8.290 nan 0.000 0.508 172 T N -1.100 113.516 114.554 0.104 0.000 2.700 172 T HA 0.620 4.970 4.350 0.000 0.000 0.307 172 T C -1.222 173.626 174.700 0.246 0.000 1.580 172 T CA 0.357 62.556 62.100 0.165 0.000 0.992 172 T CB 1.211 70.122 68.868 0.072 0.000 1.577 172 T HN 1.557 nan 8.240 nan 0.000 0.496 173 Y N 0.077 120.391 120.300 0.024 0.000 2.693 173 Y HA 0.900 5.450 4.550 0.000 0.000 0.331 173 Y C -0.809 175.114 175.900 0.039 0.000 1.092 173 Y CA -1.286 56.837 58.100 0.040 0.000 1.131 173 Y CB 0.832 39.330 38.460 0.063 0.000 1.318 173 Y HN 0.493 nan 8.280 nan 0.000 0.510 174 Q N 1.314 121.116 119.800 0.002 0.000 2.375 174 Q HA 0.503 4.843 4.340 0.000 0.000 0.271 174 Q C -1.305 174.685 176.000 -0.017 0.000 1.074 174 Q CA -0.764 54.992 55.803 -0.078 0.000 0.808 174 Q CB 3.189 31.935 28.738 0.012 0.000 1.327 174 Q HN 0.825 nan 8.270 nan 0.000 0.441 175 L N 1.593 122.798 121.223 -0.031 0.000 2.326 175 L HA 0.327 4.667 4.340 0.000 0.000 0.278 175 L C 0.940 177.834 176.870 0.041 0.000 1.092 175 L CA -0.619 54.252 54.840 0.052 0.000 0.810 175 L CB 1.094 43.198 42.059 0.075 0.000 1.153 175 L HN 0.667 nan 8.230 nan 0.000 0.439 176 T N 0.039 114.608 114.554 0.025 0.000 2.916 176 T HA 0.037 4.387 4.350 0.000 0.000 0.303 176 T C 1.122 175.818 174.700 -0.006 0.000 1.025 176 T CA -0.629 61.477 62.100 0.010 0.000 1.142 176 T CB 0.848 69.716 68.868 -0.000 0.000 0.947 176 T HN 0.539 nan 8.240 nan 0.000 0.544 177 L N 2.022 123.248 121.223 0.004 0.000 2.151 177 L HA -0.142 4.198 4.340 0.000 0.000 0.215 177 L C 1.959 178.829 176.870 -0.001 0.000 1.084 177 L CA 2.248 57.084 54.840 -0.007 0.000 0.764 177 L CB -0.928 41.128 42.059 -0.005 0.000 0.891 177 L HN 0.920 nan 8.230 nan 0.000 0.435 178 D N -0.972 119.436 120.400 0.013 0.000 2.149 178 D HA -0.151 4.489 4.640 0.000 0.000 0.201 178 D C 2.024 178.349 176.300 0.042 0.000 0.972 178 D CA 1.191 55.225 54.000 0.056 0.000 0.835 178 D CB 0.050 40.923 40.800 0.122 0.000 0.966 178 D HN 0.548 nan 8.370 nan 0.000 0.476 179 E N -0.381 119.724 120.200 -0.159 0.000 2.204 179 E HA -0.135 4.215 4.350 0.000 0.000 0.194 179 E C 1.844 178.546 176.600 0.169 0.000 0.989 179 E CA 0.298 56.536 56.400 -0.270 0.000 0.824 179 E CB 0.052 29.518 29.700 -0.389 0.000 0.756 179 E HN 0.250 nan 8.360 nan 0.000 0.477 180 L N 0.811 122.073 121.223 0.065 0.000 2.179 180 L HA -0.044 4.296 4.340 0.000 0.000 0.208 180 L C 1.943 178.816 176.870 0.005 0.000 1.096 180 L CA 1.230 56.072 54.840 0.002 0.000 0.779 180 L CB -0.003 42.005 42.059 -0.085 0.000 0.922 180 L HN 0.064 nan 8.230 nan 0.000 0.443 181 I N -1.254 119.342 120.570 0.043 0.000 2.252 181 I HA -0.291 3.879 4.170 0.000 0.000 0.245 181 I C 2.308 178.496 176.117 0.119 0.000 1.102 181 I CA 1.472 62.792 61.300 0.034 0.000 1.385 181 I CB -0.423 37.596 38.000 0.031 0.000 1.064 181 I HN 0.304 nan 8.210 nan 0.000 0.414 182 F N 1.941 121.939 119.950 0.079 0.000 2.146 182 F HA -0.177 4.350 4.527 0.000 0.000 0.298 182 F C 2.466 178.368 175.800 0.171 0.000 1.096 182 F CA 1.380 59.470 58.000 0.150 0.000 1.275 182 F CB -0.251 38.902 39.000 0.256 0.000 1.008 182 F HN -0.019 nan 8.300 nan 0.000 0.480 183 A N -0.105 122.861 122.820 0.242 0.000 1.933 183 A HA -0.187 4.133 4.320 0.000 0.000 0.218 183 A C 2.232 179.714 177.584 -0.171 0.000 1.175 183 A CA 2.302 54.336 52.037 -0.005 0.000 0.628 183 A CB -1.608 17.326 19.000 -0.110 0.000 0.814 183 A HN 0.544 nan 8.150 nan 0.000 0.444 184 T N -2.199 112.288 114.554 -0.112 0.000 2.951 184 T HA -0.028 4.322 4.350 0.000 0.000 0.268 184 T C 1.711 176.447 174.700 0.059 0.000 1.073 184 T CA 1.408 63.465 62.100 -0.072 0.000 1.134 184 T CB -0.206 68.628 68.868 -0.057 0.000 0.884 184 T HN 0.542 nan 8.240 nan 0.000 0.479 185 K N 0.075 120.514 120.400 0.066 0.000 2.186 185 K HA 0.214 4.534 4.320 0.000 0.000 0.202 185 K C 2.333 179.037 176.600 0.174 0.000 1.052 185 K CA 0.577 57.005 56.287 0.234 0.000 0.965 185 K CB -0.123 32.487 32.500 0.183 0.000 0.746 185 K HN 0.224 nan 8.250 nan 0.000 0.457 186 M N 0.742 120.270 119.600 -0.119 0.000 2.156 186 M HA -0.024 4.456 4.480 0.000 0.000 0.264 186 M C 2.443 178.631 176.300 -0.188 0.000 1.067 186 M CA 1.295 56.437 55.300 -0.263 0.000 1.131 186 M CB -0.979 31.339 32.600 -0.469 0.000 1.368 186 M HN 0.131 nan 8.290 nan 0.000 0.416 187 A N -0.644 122.038 122.820 -0.229 0.000 1.978 187 A HA -0.219 4.101 4.320 0.000 0.000 0.220 187 A C 2.003 179.517 177.584 -0.116 0.000 1.170 187 A CA 1.526 53.327 52.037 -0.394 0.000 0.636 187 A CB -1.047 17.345 19.000 -1.014 0.000 0.810 187 A HN 0.686 nan 8.150 nan 0.000 0.448 188 W N 0.794 122.051 121.300 -0.072 0.000 2.408 188 W HA -0.077 4.583 4.660 0.000 0.000 0.311 188 W C 2.272 178.718 176.519 -0.122 0.000 1.190 188 W CA 1.378 58.705 57.345 -0.030 0.000 1.321 188 W CB -0.827 28.607 29.460 -0.043 0.000 1.143 188 W HN 0.346 nan 8.180 nan 0.000 0.501 189 R N 0.550 120.993 120.500 -0.094 0.000 2.211 189 R HA -0.183 4.157 4.340 0.000 0.000 0.240 189 R C 1.134 177.277 176.300 -0.262 0.000 1.144 189 R CA 1.796 57.654 56.100 -0.404 0.000 0.992 189 R CB -0.505 29.347 30.300 -0.747 0.000 0.869 189 R HN 0.123 nan 8.270 nan 0.000 0.462 190 N N -0.047 118.557 118.700 -0.159 0.000 2.280 190 N HA 0.064 4.804 4.740 0.000 0.000 0.192 190 N C -0.681 174.795 175.510 -0.057 0.000 1.109 190 N CA 0.439 53.435 53.050 -0.090 0.000 0.855 190 N CB 1.104 39.593 38.487 0.004 0.000 0.974 190 N HN 0.139 nan 8.380 nan 0.000 0.482 191 A N 2.726 125.475 122.820 -0.118 0.000 2.457 191 A HA 0.229 4.549 4.320 0.000 0.000 0.298 191 A C -0.948 176.583 177.584 -0.087 0.000 1.288 191 A CA -1.066 50.848 52.037 -0.204 0.000 0.956 191 A CB 0.449 19.373 19.000 -0.127 0.000 1.135 191 A HN -0.002 nan 8.150 nan 0.000 0.535 192 P HA -0.177 nan 4.420 nan 0.000 0.219 192 P C 0.786 178.051 177.300 -0.059 0.000 1.146 192 P CA 1.133 64.199 63.100 -0.056 0.000 0.808 192 P CB 0.189 31.850 31.700 -0.064 0.000 0.779 193 R N -1.522 118.908 120.500 -0.117 0.000 2.356 193 R HA 0.171 4.511 4.340 0.000 0.000 0.234 193 R C 0.485 176.809 176.300 0.040 0.000 0.929 193 R CA -0.249 55.811 56.100 -0.068 0.000 1.084 193 R CB -0.373 29.695 30.300 -0.386 0.000 1.105 193 R HN 0.156 nan 8.270 nan 0.000 0.515 194 C N 0.579 119.883 119.300 0.007 0.000 2.295 194 C HA 0.341 4.801 4.460 0.000 0.000 0.331 194 C C 1.628 176.622 174.990 0.007 0.000 1.280 194 C CA -0.773 58.277 59.018 0.054 0.000 1.746 194 C CB -0.117 27.708 27.740 0.141 0.000 2.328 194 C HN 0.577 nan 8.230 nan 0.000 0.521 195 I N 3.859 124.414 120.570 -0.025 0.000 3.728 195 I HA 0.230 4.400 4.170 0.000 0.000 0.307 195 I C 1.675 177.879 176.117 0.145 0.000 1.276 195 I CA 0.804 62.058 61.300 -0.076 0.000 1.285 195 I CB 0.130 38.055 38.000 -0.125 0.000 1.038 195 I HN 0.881 nan 8.210 nan 0.000 0.445 196 G N 0.014 108.889 108.800 0.124 0.000 3.502 196 G HA2 0.083 4.043 3.960 0.000 0.000 0.267 196 G HA3 0.083 4.043 3.960 0.000 0.000 0.267 196 G C 1.178 176.093 174.900 0.025 0.000 1.090 196 G CA -0.365 44.795 45.100 0.101 0.000 0.795 196 G HN 0.206 nan 8.290 nan 0.000 0.535 197 R N -0.078 120.365 120.500 -0.094 0.000 2.355 197 R HA 0.039 4.379 4.340 0.000 0.000 0.219 197 R C 1.957 177.774 176.300 -0.806 0.000 1.107 197 R CA 0.327 56.068 56.100 -0.598 0.000 1.021 197 R CB -0.196 29.721 30.300 -0.638 0.000 0.852 197 R HN 0.462 nan 8.270 nan 0.000 0.475 198 I N 0.622 120.908 120.570 -0.473 0.000 2.614 198 I HA -0.233 3.937 4.170 0.000 0.000 0.258 198 I C 1.477 177.513 176.117 -0.135 0.000 1.189 198 I CA 1.221 62.408 61.300 -0.188 0.000 1.462 198 I CB 0.161 38.165 38.000 0.006 0.000 1.092 198 I HN 0.190 nan 8.210 nan 0.000 0.442 199 Q N 0.617 120.268 119.800 -0.249 0.000 2.403 199 Q HA -0.104 4.236 4.340 0.000 0.000 0.203 199 Q C 1.657 177.215 176.000 -0.737 0.000 0.932 199 Q CA 0.426 56.069 55.803 -0.267 0.000 0.945 199 Q CB -0.186 28.548 28.738 -0.008 0.000 1.045 199 Q HN 0.777 nan 8.270 nan 0.000 0.511 200 W N 1.202 121.683 121.300 -1.366 0.000 2.279 200 W HA -0.266 4.394 4.660 0.000 0.000 0.298 200 W C 1.215 177.318 176.519 -0.693 0.000 1.228 200 W CA 1.648 57.906 57.345 -1.812 0.000 1.230 200 W CB -1.416 27.290 29.460 -1.256 0.000 1.138 200 W HN 0.182 nan 8.180 nan 0.000 0.532 201 S N -0.067 114.799 115.700 -1.390 0.000 2.593 201 S HA 0.046 4.516 4.470 0.000 0.000 0.217 201 S C 0.422 174.766 174.600 -0.425 0.000 0.966 201 S CA -0.096 57.470 58.200 -1.056 0.000 0.914 201 S CB -0.956 61.455 63.200 -1.315 0.000 0.776 201 S HN 0.352 nan 8.310 nan 0.000 0.523 202 N N 1.441 119.999 118.700 -0.236 0.000 2.801 202 N HA 0.465 5.205 4.740 0.000 0.000 0.235 202 N C -1.684 173.900 175.510 0.124 0.000 1.069 202 N CA -0.320 52.710 53.050 -0.035 0.000 0.946 202 N CB 0.924 39.425 38.487 0.023 0.000 1.212 202 N HN 0.213 nan 8.380 nan 0.000 0.509 203 L N 2.110 123.367 121.223 0.056 0.000 2.438 203 L HA 0.304 4.644 4.340 0.000 0.000 0.270 203 L C -0.875 175.922 176.870 -0.121 0.000 0.972 203 L CA -0.723 54.133 54.840 0.027 0.000 0.831 203 L CB 1.882 44.005 42.059 0.105 0.000 1.273 203 L HN 0.245 nan 8.230 nan 0.000 0.405 204 Q N 3.368 123.034 119.800 -0.222 0.000 2.294 204 Q HA 0.520 4.861 4.340 0.000 0.000 0.257 204 Q C -1.593 174.009 176.000 -0.663 0.000 0.955 204 Q CA -0.144 55.371 55.803 -0.480 0.000 0.936 204 Q CB 1.244 29.599 28.738 -0.637 0.000 1.188 204 Q HN 0.500 nan 8.270 nan 0.000 0.420 205 V N 5.991 125.540 119.914 -0.607 0.000 2.350 205 V HA 0.395 4.515 4.120 0.000 0.000 0.276 205 V C -0.721 175.025 176.094 -0.579 0.000 1.028 205 V CA -0.551 61.446 62.300 -0.506 0.000 0.860 205 V CB 0.447 32.103 31.823 -0.279 0.000 0.990 205 V HN 0.632 nan 8.190 nan 0.000 0.453 206 F N 2.710 122.460 119.950 -0.334 0.000 2.293 206 F HA 0.340 4.867 4.527 0.000 0.000 0.370 206 F C 0.613 176.200 175.800 -0.355 0.000 1.090 206 F CA -1.394 56.402 58.000 -0.339 0.000 1.133 206 F CB 0.795 39.563 39.000 -0.387 0.000 1.360 206 F HN 0.448 nan 8.300 nan 0.000 0.489 207 D N 3.279 123.621 120.400 -0.097 0.000 2.346 207 D HA 0.232 4.873 4.640 0.000 0.000 0.267 207 D C 0.409 176.562 176.300 -0.246 0.000 1.320 207 D CA 0.371 54.274 54.000 -0.162 0.000 0.951 207 D CB 0.797 41.543 40.800 -0.090 0.000 1.079 207 D HN 0.595 nan 8.370 nan 0.000 0.509 208 A N 4.683 127.244 122.820 -0.433 0.000 2.637 208 A HA 0.145 4.465 4.320 0.000 0.000 0.293 208 A C 1.789 179.189 177.584 -0.307 0.000 1.216 208 A CA -0.401 51.256 52.037 -0.634 0.000 0.956 208 A CB 0.134 18.258 19.000 -1.460 0.000 1.174 208 A HN 0.516 nan 8.150 nan 0.000 0.525 209 R N 0.807 121.203 120.500 -0.173 0.000 2.159 209 R HA -0.180 4.160 4.340 0.000 0.000 0.237 209 R C 1.306 177.565 176.300 -0.068 0.000 1.131 209 R CA 1.720 57.771 56.100 -0.082 0.000 0.982 209 R CB -0.212 30.084 30.300 -0.008 0.000 0.868 209 R HN 0.779 nan 8.270 nan 0.000 0.453 210 N N -0.138 118.545 118.700 -0.029 0.000 2.515 210 N HA -0.076 4.664 4.740 0.000 0.000 0.185 210 N C 0.575 176.121 175.510 0.060 0.000 1.109 210 N CA 0.116 53.178 53.050 0.021 0.000 0.903 210 N CB -0.390 38.123 38.487 0.043 0.000 0.969 210 N HN 0.062 nan 8.380 nan 0.000 0.450 211 C N 0.400 119.736 119.300 0.061 0.000 2.746 211 C HA 0.243 4.703 4.460 0.000 0.000 0.403 211 C C 1.312 176.403 174.990 0.168 0.000 1.270 211 C CA 0.588 59.708 59.018 0.169 0.000 1.978 211 C CB -0.183 27.705 27.740 0.246 0.000 2.724 211 C HN 0.676 nan 8.230 nan 0.000 0.678 212 S N 0.224 116.113 115.700 0.314 0.000 2.700 212 S HA 0.194 4.664 4.470 0.000 0.000 0.272 212 S C -0.089 174.702 174.600 0.317 0.000 1.052 212 S CA 0.272 58.709 58.200 0.394 0.000 1.317 212 S CB 0.003 63.333 63.200 0.217 0.000 1.212 212 S HN 1.077 nan 8.310 nan 0.000 0.675 213 T N -1.210 113.507 114.554 0.270 0.000 2.883 213 T HA 0.839 5.189 4.350 0.000 0.000 0.301 213 T C 1.089 175.864 174.700 0.126 0.000 1.158 213 T CA -0.191 62.001 62.100 0.153 0.000 1.007 213 T CB 1.506 70.447 68.868 0.121 0.000 1.186 213 T HN 0.094 nan 8.240 nan 0.000 0.499 214 A N 0.711 123.575 122.820 0.074 0.000 1.908 214 A HA -0.121 4.200 4.320 0.000 0.000 0.218 214 A C 2.282 179.822 177.584 -0.073 0.000 1.181 214 A CA 2.308 54.347 52.037 0.002 0.000 0.627 214 A CB -1.238 17.901 19.000 0.232 0.000 0.818 214 A HN 0.886 nan 8.150 nan 0.000 0.445 215 Q N 0.131 120.032 119.800 0.168 0.000 2.112 215 Q HA -0.213 4.127 4.340 0.000 0.000 0.206 215 Q C 1.775 177.851 176.000 0.126 0.000 0.987 215 Q CA 2.454 58.389 55.803 0.219 0.000 0.858 215 Q CB -0.402 28.466 28.738 0.216 0.000 0.905 215 Q HN 0.775 nan 8.270 nan 0.000 0.420 216 E N -0.940 119.319 120.200 0.099 0.000 2.107 216 E HA -0.114 4.236 4.350 0.000 0.000 0.191 216 E C 2.042 178.723 176.600 0.135 0.000 0.982 216 E CA 1.142 57.585 56.400 0.071 0.000 0.809 216 E CB -0.097 29.683 29.700 0.134 0.000 0.756 216 E HN 0.440 nan 8.360 nan 0.000 0.459 217 M N 0.025 119.709 119.600 0.140 0.000 2.065 217 M HA -0.165 4.315 4.480 0.000 0.000 0.259 217 M C 2.240 178.606 176.300 0.109 0.000 1.069 217 M CA 1.358 56.725 55.300 0.112 0.000 1.110 217 M CB -0.422 32.006 32.600 -0.287 0.000 1.328 217 M HN 0.134 nan 8.290 nan 0.000 0.405 218 F N 1.419 121.194 119.950 -0.291 0.000 2.154 218 F HA -0.295 4.232 4.527 0.000 0.000 0.301 218 F C 2.304 178.046 175.800 -0.096 0.000 1.087 218 F CA 1.946 59.752 58.000 -0.325 0.000 1.274 218 F CB -0.380 38.249 39.000 -0.619 0.000 1.009 218 F HN 0.167 nan 8.300 nan 0.000 0.485 219 Q N -1.089 118.631 119.800 -0.133 0.000 2.046 219 Q HA -0.185 4.155 4.340 0.000 0.000 0.200 219 Q C 2.083 177.959 176.000 -0.208 0.000 0.975 219 Q CA 2.003 57.668 55.803 -0.231 0.000 0.836 219 Q CB -0.424 28.214 28.738 -0.166 0.000 0.896 219 Q HN 0.596 nan 8.270 nan 0.000 0.428 220 H N -0.068 118.982 119.070 -0.034 0.000 2.352 220 H HA -0.132 4.424 4.556 0.000 0.000 0.299 220 H C 1.939 177.228 175.328 -0.065 0.000 1.097 220 H CA 1.497 57.514 56.048 -0.052 0.000 1.311 220 H CB 0.032 29.832 29.762 0.063 0.000 1.377 220 H HN 0.187 nan 8.280 nan 0.000 0.504 221 I N -0.343 120.303 120.570 0.127 0.000 2.286 221 I HA -0.313 3.857 4.170 0.000 0.000 0.248 221 I C 2.192 178.241 176.117 -0.113 0.000 1.115 221 I CA 0.671 61.986 61.300 0.025 0.000 1.392 221 I CB -0.245 37.751 38.000 -0.006 0.000 1.065 221 I HN 0.432 nan 8.210 nan 0.000 0.418 222 C N 0.334 119.466 119.300 -0.279 0.000 2.425 222 C HA -0.139 4.321 4.460 0.000 0.000 0.277 222 C C 2.989 177.896 174.990 -0.139 0.000 1.280 222 C CA 0.724 59.573 59.018 -0.281 0.000 1.744 222 C CB -1.127 26.345 27.740 -0.446 0.000 1.989 222 C HN 0.455 nan 8.230 nan 0.000 0.491 223 R N -0.030 120.383 120.500 -0.144 0.000 2.081 223 R HA -0.174 4.166 4.340 0.000 0.000 0.235 223 R C 2.148 178.399 176.300 -0.082 0.000 1.131 223 R CA 1.919 57.924 56.100 -0.158 0.000 0.960 223 R CB -0.653 29.475 30.300 -0.288 0.000 0.856 223 R HN 0.771 nan 8.270 nan 0.000 0.436 224 H N -0.189 118.787 119.070 -0.157 0.000 2.299 224 H HA -0.025 4.531 4.556 0.000 0.000 0.302 224 H C 2.204 177.598 175.328 0.110 0.000 1.078 224 H CA 1.717 57.776 56.048 0.017 0.000 1.323 224 H CB 0.011 29.793 29.762 0.034 0.000 1.381 224 H HN 0.166 nan 8.280 nan 0.000 0.498 225 I N 0.414 121.071 120.570 0.144 0.000 2.264 225 I HA -0.257 3.913 4.170 0.000 0.000 0.248 225 I C 2.428 178.611 176.117 0.110 0.000 1.111 225 I CA 0.747 62.085 61.300 0.063 0.000 1.382 225 I CB -0.132 37.844 38.000 -0.041 0.000 1.060 225 I HN 0.322 nan 8.210 nan 0.000 0.418 226 L N -0.033 121.247 121.223 0.095 0.000 2.072 226 L HA -0.231 4.109 4.340 0.000 0.000 0.205 226 L C 2.510 179.455 176.870 0.125 0.000 1.079 226 L CA 1.737 56.624 54.840 0.078 0.000 0.752 226 L CB -0.748 41.335 42.059 0.039 0.000 0.906 226 L HN 0.235 nan 8.230 nan 0.000 0.436 227 Y N 0.100 120.454 120.300 0.090 0.000 2.133 227 Y HA -0.154 4.396 4.550 0.000 0.000 0.287 227 Y C 2.356 178.356 175.900 0.166 0.000 1.134 227 Y CA 1.815 59.999 58.100 0.141 0.000 1.133 227 Y CB -0.672 37.929 38.460 0.234 0.000 0.987 227 Y HN 0.210 nan 8.280 nan 0.000 0.502 228 A N -0.412 122.669 122.820 0.434 0.000 1.877 228 A HA -0.199 4.121 4.320 0.000 0.000 0.216 228 A C 2.223 179.879 177.584 0.120 0.000 1.186 228 A CA 2.398 54.626 52.037 0.318 0.000 0.620 228 A CB -1.446 17.831 19.000 0.462 0.000 0.822 228 A HN 0.525 nan 8.150 nan 0.000 0.443 229 T N 0.165 114.784 114.554 0.108 0.000 2.833 229 T HA -0.129 4.221 4.350 0.000 0.000 0.269 229 T C 1.082 175.792 174.700 0.017 0.000 1.054 229 T CA 1.060 63.203 62.100 0.072 0.000 1.135 229 T CB -0.477 68.428 68.868 0.062 0.000 0.869 229 T HN 0.636 nan 8.240 nan 0.000 0.466 230 N N 2.096 120.772 118.700 -0.040 0.000 2.698 230 N HA -0.290 4.450 4.740 0.000 0.000 0.258 230 N C 0.213 175.699 175.510 -0.040 0.000 0.978 230 N CA 0.956 53.958 53.050 -0.081 0.000 0.777 230 N CB -1.906 36.498 38.487 -0.139 0.000 0.907 230 N HN 0.768 nan 8.380 nan 0.000 0.543 231 N N -1.382 117.306 118.700 -0.020 0.000 2.678 231 N HA -0.290 4.450 4.740 0.000 0.000 0.249 231 N C 0.963 176.462 175.510 -0.018 0.000 1.119 231 N CA 1.519 54.559 53.050 -0.016 0.000 0.718 231 N CB -1.057 37.418 38.487 -0.021 0.000 1.060 231 N HN 0.919 nan 8.380 nan 0.000 0.552 232 G N 0.132 108.928 108.800 -0.007 0.000 2.339 232 G HA2 -0.310 3.650 3.960 0.000 0.000 0.209 232 G HA3 -0.310 3.650 3.960 0.000 0.000 0.209 232 G C -0.064 174.837 174.900 0.002 0.000 1.015 232 G CA 0.208 45.306 45.100 -0.004 0.000 0.635 232 G HN 0.596 nan 8.290 nan 0.000 0.499 233 N N 2.088 120.776 118.700 -0.021 0.000 2.819 233 N HA 0.321 5.061 4.740 0.000 0.000 0.284 233 N C 0.707 176.209 175.510 -0.013 0.000 1.196 233 N CA -0.729 52.300 53.050 -0.036 0.000 1.114 233 N CB -0.187 38.268 38.487 -0.053 0.000 1.437 233 N HN 0.228 nan 8.380 nan 0.000 0.518 234 I N 2.216 122.812 120.570 0.044 0.000 2.996 234 I HA -0.150 4.020 4.170 0.000 0.000 0.311 234 I C 0.811 177.038 176.117 0.184 0.000 1.219 234 I CA 1.192 62.580 61.300 0.147 0.000 1.452 234 I CB -0.103 38.074 38.000 0.294 0.000 1.319 234 I HN 0.522 nan 8.210 nan 0.000 0.564 235 R N 3.652 124.261 120.500 0.181 0.000 2.628 235 R HA 0.383 4.723 4.340 0.000 0.000 0.288 235 R C -0.616 175.844 176.300 0.268 0.000 0.980 235 R CA -0.673 55.544 56.100 0.195 0.000 0.891 235 R CB 2.054 32.324 30.300 -0.050 0.000 1.188 235 R HN 0.543 nan 8.270 nan 0.000 0.450 236 S N 1.394 117.233 115.700 0.232 0.000 2.528 236 S HA 0.594 5.064 4.470 0.000 0.000 0.277 236 S C -0.497 174.135 174.600 0.052 0.000 1.297 236 S CA -0.316 57.929 58.200 0.074 0.000 1.052 236 S CB 1.360 64.527 63.200 -0.056 0.000 0.917 236 S HN 0.680 nan 8.310 nan 0.000 0.492 237 A N 3.033 125.850 122.820 -0.003 0.000 2.609 237 A HA 0.848 5.168 4.320 0.000 0.000 0.291 237 A C -1.371 176.096 177.584 -0.195 0.000 1.096 237 A CA -0.667 51.236 52.037 -0.224 0.000 0.684 237 A CB 1.199 19.985 19.000 -0.357 0.000 1.282 237 A HN 0.804 nan 8.150 nan 0.000 0.412 238 I N 0.372 120.747 120.570 -0.324 0.000 2.692 238 I HA 0.574 4.744 4.170 0.000 0.000 0.293 238 I C -1.196 174.828 176.117 -0.155 0.000 1.200 238 I CA -0.129 61.127 61.300 -0.072 0.000 1.036 238 I CB 2.372 40.338 38.000 -0.056 0.000 1.258 238 I HN 0.586 nan 8.210 nan 0.000 0.421 239 T N 6.548 121.098 114.554 -0.007 0.000 2.756 239 T HA 0.347 4.697 4.350 0.000 0.000 0.290 239 T C -0.409 174.093 174.700 -0.330 0.000 0.985 239 T CA -0.313 61.678 62.100 -0.181 0.000 0.955 239 T CB 1.249 70.003 68.868 -0.190 0.000 0.930 239 T HN 0.282 nan 8.240 nan 0.000 0.451 240 V N 5.704 125.395 119.914 -0.370 0.000 2.299 240 V HA 0.306 4.426 4.120 0.000 0.000 0.255 240 V C -0.067 175.839 176.094 -0.315 0.000 1.100 240 V CA -0.622 61.488 62.300 -0.317 0.000 0.938 240 V CB -1.112 30.498 31.823 -0.356 0.000 1.139 240 V HN 0.697 nan 8.190 nan 0.000 0.490 241 F N 5.355 125.266 119.950 -0.066 0.000 2.403 241 F HA 0.373 4.900 4.527 0.000 0.000 0.320 241 F C -1.470 174.279 175.800 -0.086 0.000 1.176 241 F CA -2.248 55.656 58.000 -0.160 0.000 1.206 241 F CB -0.112 38.806 39.000 -0.136 0.000 1.235 241 F HN 0.302 nan 8.300 nan 0.000 0.565 242 P HA -0.125 nan 4.420 nan 0.000 0.266 242 P C -0.948 176.361 177.300 0.015 0.000 1.162 242 P CA 0.344 63.363 63.100 -0.134 0.000 0.758 242 P CB 0.150 31.565 31.700 -0.475 0.000 0.774 243 Q N 2.919 122.622 119.800 -0.162 0.000 2.471 243 Q HA 0.210 4.550 4.340 0.000 0.000 0.223 243 Q C 0.292 176.156 176.000 -0.226 0.000 1.045 243 Q CA -0.660 54.792 55.803 -0.586 0.000 0.956 243 Q CB 0.836 28.990 28.738 -0.973 0.000 1.249 243 Q HN 0.331 nan 8.270 nan 0.000 0.549 244 R N -0.043 120.321 120.500 -0.227 0.000 2.637 244 R HA 0.123 4.463 4.340 0.000 0.000 0.269 244 R C -0.044 176.216 176.300 -0.066 0.000 1.089 244 R CA 0.670 56.729 56.100 -0.067 0.000 1.177 244 R CB 0.700 30.962 30.300 -0.063 0.000 1.091 244 R HN 1.004 nan 8.270 nan 0.000 0.540 245 S N 0.006 115.706 115.700 0.001 0.000 3.799 245 S HA -0.008 4.462 4.470 0.000 0.000 0.170 245 S C 0.710 175.317 174.600 0.012 0.000 0.840 245 S CA 0.048 58.259 58.200 0.018 0.000 1.025 245 S CB -0.160 63.094 63.200 0.089 0.000 1.455 245 S HN 0.803 nan 8.310 nan 0.000 0.804 246 D N 0.949 121.363 120.400 0.024 0.000 2.349 246 D HA 0.260 4.900 4.640 0.000 0.000 0.214 246 D C 1.460 177.713 176.300 -0.078 0.000 1.063 246 D CA 0.922 54.910 54.000 -0.020 0.000 0.847 246 D CB -0.087 40.708 40.800 -0.009 0.000 0.933 246 D HN 1.027 nan 8.370 nan 0.000 0.513 247 G N 1.210 109.965 108.800 -0.076 0.000 2.184 247 G HA2 -0.313 3.647 3.960 0.000 0.000 0.264 247 G HA3 -0.313 3.647 3.960 0.000 0.000 0.264 247 G C 1.161 175.971 174.900 -0.150 0.000 0.975 247 G CA 0.437 45.486 45.100 -0.084 0.000 0.642 247 G HN 0.347 nan 8.290 nan 0.000 0.536 248 K N 0.171 120.383 120.400 -0.314 0.000 2.361 248 K HA 0.132 4.452 4.320 0.000 0.000 0.194 248 K C 0.551 176.805 176.600 -0.577 0.000 1.032 248 K CA 0.468 56.470 56.287 -0.475 0.000 1.048 248 K CB 0.210 32.337 32.500 -0.621 0.000 0.842 248 K HN 0.654 nan 8.250 nan 0.000 0.526 249 H N 0.674 119.749 119.070 0.007 0.000 2.587 249 H HA 0.256 4.812 4.556 0.000 0.000 0.245 249 H C -0.752 174.583 175.328 0.012 0.000 1.238 249 H CA -0.848 55.198 56.048 -0.004 0.000 0.963 249 H CB 0.025 29.798 29.762 0.019 0.000 1.904 249 H HN -0.054 nan 8.280 nan 0.000 0.584 250 D N 0.548 120.984 120.400 0.060 0.000 2.399 250 D HA 0.087 4.727 4.640 0.000 0.000 0.241 250 D C -0.022 176.314 176.300 0.061 0.000 1.133 250 D CA 0.344 54.406 54.000 0.103 0.000 0.890 250 D CB 0.712 41.551 40.800 0.064 0.000 1.201 250 D HN 0.056 nan 8.370 nan 0.000 0.432 251 F N 2.111 122.095 119.950 0.057 0.000 2.410 251 F HA 0.412 4.939 4.527 0.000 0.000 0.349 251 F C 0.743 176.569 175.800 0.043 0.000 1.117 251 F CA -0.344 57.672 58.000 0.026 0.000 1.104 251 F CB 0.841 39.853 39.000 0.020 0.000 1.122 251 F HN -0.120 nan 8.300 nan 0.000 0.483 252 R N 3.551 124.143 120.500 0.154 0.000 2.698 252 R HA 0.540 4.880 4.340 0.000 0.000 0.275 252 R C -1.840 174.590 176.300 0.217 0.000 1.001 252 R CA -1.160 55.053 56.100 0.190 0.000 0.896 252 R CB 2.115 32.543 30.300 0.213 0.000 1.218 252 R HN 0.460 nan 8.270 nan 0.000 0.462 253 L N 1.922 123.264 121.223 0.198 0.000 2.277 253 L HA 0.350 4.690 4.340 0.000 0.000 0.284 253 L C 0.524 177.574 176.870 0.301 0.000 1.028 253 L CA -0.162 54.789 54.840 0.186 0.000 0.835 253 L CB 0.837 42.942 42.059 0.077 0.000 1.215 253 L HN 0.583 nan 8.230 nan 0.000 0.425 254 W N 0.863 122.209 121.300 0.077 0.000 2.538 254 W HA -0.063 4.597 4.660 0.000 0.000 0.254 254 W C 0.935 177.520 176.519 0.109 0.000 1.249 254 W CA -0.210 57.267 57.345 0.219 0.000 1.253 254 W CB -1.103 28.590 29.460 0.388 0.000 1.130 254 W HN 0.500 nan 8.180 nan 0.000 0.618 255 N N -0.457 118.288 118.700 0.074 0.000 2.294 255 N HA 0.078 4.818 4.740 0.000 0.000 0.248 255 N C 1.290 176.604 175.510 -0.326 0.000 1.300 255 N CA 1.044 53.825 53.050 -0.448 0.000 0.925 255 N CB 0.386 38.715 38.487 -0.263 0.000 1.188 255 N HN -0.123 nan 8.380 nan 0.000 0.512 256 S N -1.998 113.466 115.700 -0.392 0.000 2.604 256 S HA 0.214 4.684 4.470 0.000 0.000 0.235 256 S C 0.087 174.556 174.600 -0.219 0.000 1.043 256 S CA -0.248 57.810 58.200 -0.237 0.000 0.997 256 S CB 0.404 63.489 63.200 -0.192 0.000 0.956 256 S HN 0.598 nan 8.310 nan 0.000 0.535 257 Q N 0.097 119.742 119.800 -0.259 0.000 2.313 257 Q HA 0.400 4.740 4.340 0.000 0.000 0.260 257 Q C -0.395 175.433 176.000 -0.287 0.000 0.972 257 Q CA -0.594 55.058 55.803 -0.252 0.000 0.886 257 Q CB 1.339 29.961 28.738 -0.194 0.000 1.373 257 Q HN 0.075 nan 8.270 nan 0.000 0.416 258 L N 2.469 123.526 121.223 -0.277 0.000 1.991 258 L HA -0.125 4.215 4.340 0.000 0.000 0.221 258 L C 0.730 177.423 176.870 -0.295 0.000 1.079 258 L CA 2.009 56.699 54.840 -0.250 0.000 0.778 258 L CB -0.426 41.477 42.059 -0.260 0.000 0.893 258 L HN 0.591 nan 8.230 nan 0.000 0.437 259 I N -1.257 119.053 120.570 -0.433 0.000 2.412 259 I HA 0.409 4.579 4.170 0.000 0.000 0.296 259 I C 0.238 175.712 176.117 -1.072 0.000 0.987 259 I CA -0.439 60.469 61.300 -0.653 0.000 1.180 259 I CB 1.689 39.266 38.000 -0.705 0.000 1.340 259 I HN 0.137 nan 8.210 nan 0.000 0.455 260 R N 3.555 123.494 120.500 -0.936 0.000 2.728 260 R HA 0.406 4.746 4.340 0.000 0.000 0.274 260 R C -1.823 174.161 176.300 -0.527 0.000 1.032 260 R CA -0.763 54.850 56.100 -0.810 0.000 0.866 260 R CB 1.785 31.864 30.300 -0.368 0.000 1.263 260 R HN 0.338 nan 8.270 nan 0.000 0.475 261 Y N -0.008 120.277 120.300 -0.026 0.000 2.392 261 Y HA 0.634 5.185 4.550 0.000 0.000 0.323 261 Y C 0.648 176.537 175.900 -0.019 0.000 1.291 261 Y CA -0.426 57.698 58.100 0.040 0.000 1.345 261 Y CB 1.228 39.782 38.460 0.156 0.000 1.320 261 Y HN 0.651 nan 8.280 nan 0.000 0.518 262 A N 0.163 123.057 122.820 0.125 0.000 2.303 262 A HA 0.706 5.026 4.320 0.000 0.000 0.317 262 A C 0.127 177.500 177.584 -0.352 0.000 1.149 262 A CA -0.094 51.819 52.037 -0.206 0.000 0.822 262 A CB 0.095 18.871 19.000 -0.374 0.000 1.131 262 A HN 0.885 nan 8.150 nan 0.000 0.493 263 G N 0.762 109.314 108.800 -0.413 0.000 2.533 263 G HA2 0.561 4.521 3.960 0.000 0.000 0.310 263 G HA3 0.561 4.521 3.960 0.000 0.000 0.310 263 G C -1.057 173.652 174.900 -0.317 0.000 1.266 263 G CA -0.176 44.752 45.100 -0.286 0.000 0.967 263 G HN 0.492 nan 8.290 nan 0.000 0.493 264 Y N 0.190 120.540 120.300 0.083 0.000 2.496 264 Y HA 0.545 5.095 4.550 0.000 0.000 0.331 264 Y C 0.614 176.579 175.900 0.108 0.000 1.140 264 Y CA -1.012 57.165 58.100 0.129 0.000 1.166 264 Y CB 2.246 40.850 38.460 0.240 0.000 1.249 264 Y HN 0.442 nan 8.280 nan 0.000 0.479 265 Q N 2.808 122.776 119.800 0.280 0.000 2.700 265 Q HA 0.332 4.672 4.340 0.000 0.000 0.249 265 Q C -1.186 174.894 176.000 0.134 0.000 1.033 265 Q CA -0.907 54.992 55.803 0.160 0.000 0.804 265 Q CB 0.401 29.203 28.738 0.107 0.000 1.164 265 Q HN 0.580 nan 8.270 nan 0.000 0.500 266 M N 3.805 123.474 119.600 0.115 0.000 2.209 266 M HA -0.075 4.405 4.480 0.000 0.000 0.361 266 M C -1.419 174.889 176.300 0.013 0.000 1.211 266 M CA -1.030 54.290 55.300 0.034 0.000 0.899 266 M CB -0.475 32.135 32.600 0.016 0.000 1.817 266 M HN 0.418 nan 8.290 nan 0.000 0.476 267 P HA -0.247 nan 4.420 nan 0.000 0.219 267 P C 0.359 177.656 177.300 -0.006 0.000 1.161 267 P CA 1.909 64.999 63.100 -0.018 0.000 0.909 267 P CB -0.468 31.206 31.700 -0.045 0.000 0.793 268 D N -0.938 119.456 120.400 -0.010 0.000 2.489 268 D HA 0.011 4.652 4.640 0.000 0.000 0.264 268 D C 1.482 177.787 176.300 0.008 0.000 1.294 268 D CA 0.863 54.862 54.000 -0.003 0.000 0.938 268 D CB -1.184 39.612 40.800 -0.007 0.000 0.985 268 D HN 0.393 nan 8.370 nan 0.000 0.492 269 G N 0.336 109.144 108.800 0.014 0.000 2.435 269 G HA2 -0.355 3.605 3.960 0.000 0.000 0.245 269 G HA3 -0.355 3.605 3.960 0.000 0.000 0.245 269 G C 0.740 175.657 174.900 0.028 0.000 1.073 269 G CA 0.557 45.669 45.100 0.021 0.000 0.638 269 G HN 0.505 nan 8.290 nan 0.000 0.521 270 T N 1.367 115.937 114.554 0.027 0.000 2.906 270 T HA 0.379 4.729 4.350 0.000 0.000 0.329 270 T C 0.564 175.294 174.700 0.049 0.000 1.091 270 T CA 0.778 62.898 62.100 0.034 0.000 1.127 270 T CB 0.874 69.761 68.868 0.032 0.000 1.035 270 T HN 0.420 nan 8.240 nan 0.000 0.547 271 I N 2.103 122.700 120.570 0.046 0.000 2.447 271 I HA 0.439 4.610 4.170 0.000 0.000 0.287 271 I C 0.145 176.291 176.117 0.049 0.000 1.023 271 I CA -0.680 60.652 61.300 0.052 0.000 1.083 271 I CB 1.775 39.788 38.000 0.021 0.000 1.245 271 I HN 0.428 nan 8.210 nan 0.000 0.434 272 R N 4.861 125.424 120.500 0.105 0.000 2.513 272 R HA 0.733 5.073 4.340 0.000 0.000 0.301 272 R C 0.067 176.444 176.300 0.129 0.000 0.968 272 R CA 0.227 56.395 56.100 0.113 0.000 0.872 272 R CB 1.781 32.183 30.300 0.170 0.000 1.177 272 R HN 0.899 nan 8.270 nan 0.000 0.444 273 G N 2.894 111.683 108.800 -0.019 0.000 2.637 273 G HA2 -0.212 3.748 3.960 0.000 0.000 0.211 273 G HA3 -0.212 3.748 3.960 0.000 0.000 0.211 273 G C -1.377 173.305 174.900 -0.364 0.000 1.213 273 G CA 0.062 45.115 45.100 -0.079 0.000 1.207 273 G HN 0.591 nan 8.290 nan 0.000 0.559 274 D N 1.401 121.663 120.400 -0.230 0.000 2.446 274 D HA 0.675 5.315 4.640 0.000 0.000 0.251 274 D C 1.379 177.598 176.300 -0.135 0.000 1.137 274 D CA 0.682 54.517 54.000 -0.276 0.000 0.890 274 D CB 0.857 41.752 40.800 0.159 0.000 1.071 274 D HN 0.916 nan 8.370 nan 0.000 0.528 275 A N 3.498 126.220 122.820 -0.164 0.000 2.009 275 A HA -0.208 4.112 4.320 0.000 0.000 0.222 275 A C 2.065 179.645 177.584 -0.008 0.000 1.175 275 A CA 2.161 54.160 52.037 -0.064 0.000 0.651 275 A CB -0.433 18.536 19.000 -0.052 0.000 0.815 275 A HN 0.628 nan 8.150 nan 0.000 0.459 276 A N -0.843 121.990 122.820 0.022 0.000 2.125 276 A HA 0.022 4.342 4.320 0.000 0.000 0.219 276 A C 1.995 179.619 177.584 0.066 0.000 1.156 276 A CA 2.039 54.113 52.037 0.060 0.000 0.671 276 A CB -0.828 18.232 19.000 0.101 0.000 0.794 276 A HN 0.935 nan 8.150 nan 0.000 0.459 277 T N -3.583 111.001 114.554 0.050 0.000 3.174 277 T HA 0.398 4.748 4.350 0.000 0.000 0.269 277 T C 1.315 176.028 174.700 0.022 0.000 1.017 277 T CA 0.003 62.141 62.100 0.064 0.000 0.899 277 T CB -0.324 68.584 68.868 0.066 0.000 1.077 277 T HN 0.192 nan 8.240 nan 0.000 0.552 278 L N 0.921 122.144 121.223 0.001 0.000 2.021 278 L HA -0.152 4.188 4.340 0.000 0.000 0.215 278 L C 2.898 179.755 176.870 -0.022 0.000 1.074 278 L CA 2.315 57.145 54.840 -0.016 0.000 0.760 278 L CB -0.397 41.667 42.059 0.009 0.000 0.889 278 L HN 0.454 nan 8.230 nan 0.000 0.433 279 E N -0.352 119.850 120.200 0.002 0.000 2.028 279 E HA -0.274 4.077 4.350 0.000 0.000 0.191 279 E C 2.180 178.680 176.600 -0.167 0.000 0.988 279 E CA 1.347 57.720 56.400 -0.046 0.000 0.799 279 E CB -0.211 29.508 29.700 0.033 0.000 0.755 279 E HN 0.338 nan 8.360 nan 0.000 0.447 280 F N 1.652 121.442 119.950 -0.268 0.000 2.134 280 F HA -0.194 4.333 4.527 0.000 0.000 0.299 280 F C 2.274 177.910 175.800 -0.273 0.000 1.097 280 F CA 2.029 59.808 58.000 -0.369 0.000 1.264 280 F CB -0.772 38.101 39.000 -0.211 0.000 1.001 280 F HN 0.006 nan 8.300 nan 0.000 0.479 281 T N 0.226 114.650 114.554 -0.216 0.000 2.597 281 T HA -0.355 3.996 4.350 0.000 0.000 0.267 281 T C 1.730 176.274 174.700 -0.259 0.000 1.053 281 T CA 1.924 63.846 62.100 -0.297 0.000 1.165 281 T CB -0.531 68.201 68.868 -0.226 0.000 0.863 281 T HN 0.293 nan 8.240 nan 0.000 0.427 282 Q N 0.825 120.522 119.800 -0.171 0.000 1.998 282 Q HA -0.164 4.176 4.340 0.000 0.000 0.209 282 Q C 2.169 178.058 176.000 -0.185 0.000 1.002 282 Q CA 1.733 57.468 55.803 -0.113 0.000 0.858 282 Q CB -1.093 27.589 28.738 -0.092 0.000 0.932 282 Q HN 0.436 nan 8.270 nan 0.000 0.416 283 L N 0.011 121.041 121.223 -0.322 0.000 2.010 283 L HA -0.280 4.061 4.340 0.000 0.000 0.219 283 L C 2.383 179.078 176.870 -0.292 0.000 1.077 283 L CA 2.363 57.008 54.840 -0.325 0.000 0.773 283 L CB -1.297 40.470 42.059 -0.486 0.000 0.892 283 L HN 0.530 nan 8.230 nan 0.000 0.436 284 C N -0.322 118.690 119.300 -0.479 0.000 2.367 284 C HA -0.249 4.211 4.460 0.000 0.000 0.276 284 C C 2.729 177.706 174.990 -0.022 0.000 1.195 284 C CA 1.361 60.166 59.018 -0.355 0.000 1.756 284 C CB -1.068 26.307 27.740 -0.608 0.000 2.046 284 C HN 0.645 nan 8.230 nan 0.000 0.453 285 I N 0.881 121.499 120.570 0.079 0.000 2.194 285 I HA -0.235 3.935 4.170 0.000 0.000 0.246 285 I C 2.019 178.153 176.117 0.028 0.000 1.093 285 I CA 1.708 63.091 61.300 0.139 0.000 1.355 285 I CB -0.747 37.326 38.000 0.122 0.000 1.046 285 I HN 0.413 nan 8.210 nan 0.000 0.413 286 D N 0.787 121.167 120.400 -0.034 0.000 2.263 286 D HA -0.091 4.550 4.640 0.000 0.000 0.208 286 D C 1.750 178.007 176.300 -0.072 0.000 0.971 286 D CA 1.106 55.067 54.000 -0.064 0.000 0.867 286 D CB -0.034 40.709 40.800 -0.096 0.000 0.929 286 D HN 0.376 nan 8.370 nan 0.000 0.492 287 L N -0.654 120.536 121.223 -0.055 0.000 2.728 287 L HA 0.266 4.606 4.340 0.000 0.000 0.235 287 L C 1.489 178.347 176.870 -0.019 0.000 1.197 287 L CA 0.080 54.891 54.840 -0.049 0.000 0.992 287 L CB 0.230 42.256 42.059 -0.054 0.000 1.263 287 L HN 0.088 nan 8.230 nan 0.000 0.484 288 G N -0.995 107.804 108.800 -0.002 0.000 2.254 288 G HA2 -0.318 3.642 3.960 0.000 0.000 0.225 288 G HA3 -0.318 3.642 3.960 0.000 0.000 0.225 288 G C 0.053 174.978 174.900 0.042 0.000 1.003 288 G CA -0.276 44.823 45.100 -0.001 0.000 0.622 288 G HN 0.319 nan 8.290 nan 0.000 0.507 289 W N 3.687 124.926 121.300 -0.101 0.000 2.293 289 W HA 0.510 5.170 4.660 0.000 0.000 0.342 289 W C 0.286 176.760 176.519 -0.074 0.000 1.274 289 W CA 0.313 57.605 57.345 -0.087 0.000 1.290 289 W CB 0.593 29.997 29.460 -0.095 0.000 1.176 289 W HN -0.042 nan 8.180 nan 0.000 0.570 290 K N 8.168 128.100 120.400 -0.781 0.000 2.268 290 K HA 0.203 4.523 4.320 0.000 0.000 0.276 290 K C -2.319 173.576 176.600 -1.176 0.000 1.080 290 K CA -1.833 54.021 56.287 -0.722 0.000 0.910 290 K CB 0.588 32.791 32.500 -0.496 0.000 1.163 290 K HN 0.289 nan 8.250 nan 0.000 0.465 291 P HA 0.125 nan 4.420 nan 0.000 0.264 291 P C -0.292 176.439 177.300 -0.950 0.000 1.229 291 P CA -0.125 62.435 63.100 -0.899 0.000 0.780 291 P CB 0.438 31.634 31.700 -0.840 0.000 0.808 292 R N 2.273 122.366 120.500 -0.679 0.000 2.335 292 R HA 0.114 4.454 4.340 0.000 0.000 0.223 292 R C 0.002 176.110 176.300 -0.319 0.000 0.940 292 R CA -0.338 55.552 56.100 -0.351 0.000 1.086 292 R CB -0.942 29.282 30.300 -0.128 0.000 1.073 292 R HN 0.391 nan 8.270 nan 0.000 0.504 293 Y N 0.024 119.824 120.300 -0.834 0.000 3.010 293 Y HA -0.250 4.300 4.550 0.000 0.000 0.208 293 Y C 0.841 176.608 175.900 -0.222 0.000 1.265 293 Y CA 0.865 58.380 58.100 -0.975 0.000 0.797 293 Y CB -1.450 36.665 38.460 -0.574 0.000 1.228 293 Y HN 0.292 nan 8.280 nan 0.000 0.393 294 G N 0.409 109.359 108.800 0.251 0.000 2.759 294 G HA2 0.462 4.422 3.960 0.000 0.000 0.297 294 G HA3 0.462 4.422 3.960 0.000 0.000 0.297 294 G C 0.119 175.173 174.900 0.256 0.000 1.434 294 G CA -1.152 44.099 45.100 0.251 0.000 0.980 294 G HN 0.269 nan 8.290 nan 0.000 0.531 295 R N -0.207 120.350 120.500 0.096 0.000 2.244 295 R HA -0.136 4.204 4.340 0.000 0.000 0.252 295 R C 0.284 176.191 176.300 -0.655 0.000 1.177 295 R CA 1.694 57.664 56.100 -0.218 0.000 1.004 295 R CB -0.183 29.920 30.300 -0.328 0.000 0.873 295 R HN 0.416 nan 8.270 nan 0.000 0.469 296 F N -0.242 119.715 119.950 0.012 0.000 2.733 296 F HA 0.193 4.720 4.527 0.000 0.000 0.380 296 F C -0.690 175.164 175.800 0.089 0.000 1.324 296 F CA -1.056 56.732 58.000 -0.353 0.000 1.178 296 F CB 0.601 39.265 39.000 -0.559 0.000 1.093 296 F HN -0.266 nan 8.300 nan 0.000 0.512 297 D N 2.032 122.664 120.400 0.388 0.000 2.344 297 D HA 0.116 4.756 4.640 0.000 0.000 0.253 297 D C 0.371 176.962 176.300 0.486 0.000 1.255 297 D CA 0.315 54.594 54.000 0.465 0.000 0.894 297 D CB 1.613 42.754 40.800 0.568 0.000 1.067 297 D HN -0.083 nan 8.370 nan 0.000 0.492 298 V N 3.987 124.165 119.914 0.439 0.000 2.540 298 V HA -0.069 4.051 4.120 0.000 0.000 0.297 298 V C 1.143 177.312 176.094 0.124 0.000 1.024 298 V CA -0.096 62.342 62.300 0.230 0.000 1.105 298 V CB 0.036 31.945 31.823 0.144 0.000 0.938 298 V HN 0.338 nan 8.190 nan 0.000 0.482 299 L N 8.357 129.530 121.223 -0.083 0.000 2.464 299 L HA 0.318 4.658 4.340 0.000 0.000 0.264 299 L C -1.656 175.058 176.870 -0.261 0.000 1.199 299 L CA -1.268 53.355 54.840 -0.360 0.000 0.818 299 L CB 0.615 42.520 42.059 -0.256 0.000 1.102 299 L HN 0.489 nan 8.230 nan 0.000 0.473 300 P HA 0.217 nan 4.420 nan 0.000 0.281 300 P C -0.870 176.420 177.300 -0.017 0.000 1.264 300 P CA -0.709 62.304 63.100 -0.145 0.000 0.824 300 P CB 1.254 32.824 31.700 -0.216 0.000 1.092 301 L N 0.969 122.263 121.223 0.118 0.000 2.472 301 L HA 0.214 4.554 4.340 0.000 0.000 0.260 301 L C 0.406 177.389 176.870 0.189 0.000 1.209 301 L CA 0.083 55.018 54.840 0.159 0.000 0.817 301 L CB 0.435 42.610 42.059 0.194 0.000 1.106 301 L HN 0.123 nan 8.230 nan 0.000 0.479 302 V N 3.566 123.600 119.914 0.199 0.000 2.454 302 V HA 0.316 4.436 4.120 0.000 0.000 0.267 302 V C -0.295 175.817 176.094 0.030 0.000 0.993 302 V CA -0.511 61.867 62.300 0.130 0.000 0.836 302 V CB 0.973 32.936 31.823 0.234 0.000 1.055 302 V HN 0.444 nan 8.190 nan 0.000 0.452 303 L N 3.422 124.647 121.223 0.004 0.000 2.334 303 L HA 0.636 4.976 4.340 0.000 0.000 0.277 303 L C 0.060 176.814 176.870 -0.193 0.000 1.075 303 L CA -0.201 54.580 54.840 -0.098 0.000 0.804 303 L CB 1.437 43.373 42.059 -0.205 0.000 1.174 303 L HN 0.575 nan 8.230 nan 0.000 0.438 304 Q N 2.667 122.347 119.800 -0.200 0.000 2.303 304 Q HA 0.643 4.983 4.340 0.000 0.000 0.267 304 Q C -1.550 174.243 176.000 -0.344 0.000 1.011 304 Q CA -0.570 55.079 55.803 -0.257 0.000 0.740 304 Q CB 2.050 30.685 28.738 -0.172 0.000 1.250 304 Q HN 0.785 nan 8.270 nan 0.000 0.458 305 A N 3.353 125.899 122.820 -0.456 0.000 2.325 305 A HA 0.430 4.750 4.320 0.000 0.000 0.333 305 A C 0.066 177.074 177.584 -0.959 0.000 1.155 305 A CA -0.022 51.415 52.037 -0.999 0.000 0.814 305 A CB 0.959 19.698 19.000 -0.436 0.000 1.206 305 A HN 1.009 nan 8.150 nan 0.000 0.482 306 D N 0.553 120.006 120.400 -1.579 0.000 2.782 306 D HA -0.153 4.487 4.640 0.000 0.000 0.231 306 D C 1.105 177.302 176.300 -0.171 0.000 1.163 306 D CA 2.815 56.518 54.000 -0.495 0.000 0.680 306 D CB -1.122 39.577 40.800 -0.168 0.000 1.062 306 D HN 2.089 nan 8.370 nan 0.000 0.425 307 G N -1.214 107.454 108.800 -0.220 0.000 2.143 307 G HA2 -0.364 3.596 3.960 0.000 0.000 0.248 307 G HA3 -0.364 3.596 3.960 0.000 0.000 0.248 307 G C 0.283 175.191 174.900 0.012 0.000 0.991 307 G CA 0.673 45.753 45.100 -0.034 0.000 0.689 307 G HN 0.623 nan 8.290 nan 0.000 0.522 308 Q N -0.187 119.573 119.800 -0.066 0.000 2.222 308 Q HA 0.485 4.825 4.340 0.000 0.000 0.211 308 Q C -0.000 175.974 176.000 -0.044 0.000 1.013 308 Q CA -0.892 54.897 55.803 -0.023 0.000 0.993 308 Q CB 0.579 29.283 28.738 -0.056 0.000 1.151 308 Q HN 0.280 nan 8.270 nan 0.000 0.544 309 D N 1.539 121.925 120.400 -0.023 0.000 2.354 309 D HA 0.101 4.741 4.640 0.000 0.000 0.238 309 D C -2.124 173.976 176.300 -0.333 0.000 1.250 309 D CA -0.798 53.103 54.000 -0.165 0.000 0.911 309 D CB 0.021 40.882 40.800 0.103 0.000 1.163 309 D HN 0.239 nan 8.370 nan 0.000 0.456 310 P HA 0.263 nan 4.420 nan 0.000 0.279 310 P C -1.071 176.086 177.300 -0.238 0.000 1.252 310 P CA -0.434 62.318 63.100 -0.579 0.000 0.811 310 P CB 1.176 32.145 31.700 -1.218 0.000 1.035 311 E N 0.010 120.155 120.200 -0.092 0.000 2.272 311 E HA 0.376 4.726 4.350 0.000 0.000 0.269 311 E C -0.918 175.715 176.600 0.056 0.000 0.877 311 E CA -1.151 55.235 56.400 -0.024 0.000 0.755 311 E CB 2.280 32.010 29.700 0.050 0.000 1.192 311 E HN 0.109 nan 8.360 nan 0.000 0.422 312 V N 3.521 123.343 119.914 -0.153 0.000 2.461 312 V HA 0.277 4.397 4.120 0.000 0.000 0.275 312 V C -0.798 175.137 176.094 -0.265 0.000 1.047 312 V CA -0.104 62.152 62.300 -0.073 0.000 0.955 312 V CB -0.261 31.521 31.823 -0.067 0.000 0.988 312 V HN 0.481 nan 8.190 nan 0.000 0.471 313 F N 2.373 122.248 119.950 -0.125 0.000 2.507 313 F HA 0.503 5.030 4.527 0.000 0.000 0.328 313 F C 0.189 175.952 175.800 -0.063 0.000 1.136 313 F CA -1.144 56.697 58.000 -0.266 0.000 0.930 313 F CB 1.571 40.226 39.000 -0.576 0.000 1.166 313 F HN 0.375 nan 8.300 nan 0.000 0.436 314 E N 2.870 123.134 120.200 0.107 0.000 2.360 314 E HA 0.355 4.705 4.350 0.000 0.000 0.269 314 E C -0.447 176.356 176.600 0.338 0.000 1.022 314 E CA 0.040 56.566 56.400 0.210 0.000 0.887 314 E CB 0.612 30.415 29.700 0.171 0.000 0.990 314 E HN 0.442 nan 8.360 nan 0.000 0.426 315 I N 5.932 126.686 120.570 0.305 0.000 2.519 315 I HA 0.200 4.370 4.170 0.000 0.000 0.287 315 I C -1.863 174.385 176.117 0.218 0.000 1.047 315 I CA -2.172 59.304 61.300 0.294 0.000 1.381 315 I CB 1.016 39.102 38.000 0.143 0.000 1.417 315 I HN 0.388 nan 8.210 nan 0.000 0.540 316 P HA 0.093 nan 4.420 nan 0.000 0.264 316 P C -2.049 175.310 177.300 0.097 0.000 1.229 316 P CA -0.901 62.283 63.100 0.140 0.000 0.780 316 P CB 0.150 31.917 31.700 0.111 0.000 0.808 317 P HA -0.216 nan 4.420 nan 0.000 0.219 317 P C 0.325 177.663 177.300 0.064 0.000 1.144 317 P CA 1.413 64.564 63.100 0.086 0.000 0.806 317 P CB -0.009 31.743 31.700 0.087 0.000 0.771 318 D N -1.620 118.814 120.400 0.057 0.000 2.317 318 D HA -0.024 4.616 4.640 0.000 0.000 0.211 318 D C 1.692 178.012 176.300 0.034 0.000 0.966 318 D CA 0.688 54.713 54.000 0.042 0.000 0.876 318 D CB -0.557 40.265 40.800 0.038 0.000 0.927 318 D HN 0.240 nan 8.370 nan 0.000 0.519 319 L N 0.013 121.257 121.223 0.035 0.000 2.416 319 L HA 0.116 4.457 4.340 0.000 0.000 0.216 319 L C 0.305 177.189 176.870 0.024 0.000 1.098 319 L CA 0.143 54.996 54.840 0.022 0.000 0.840 319 L CB 0.331 42.393 42.059 0.005 0.000 0.981 319 L HN -0.143 nan 8.230 nan 0.000 0.462 320 V N 2.341 122.274 119.914 0.032 0.000 2.408 320 V HA 0.115 4.235 4.120 0.000 0.000 0.267 320 V C -0.093 176.031 176.094 0.050 0.000 1.047 320 V CA -0.357 61.964 62.300 0.035 0.000 0.937 320 V CB 1.313 33.160 31.823 0.039 0.000 0.999 320 V HN 0.027 nan 8.190 nan 0.000 0.472 321 L N 6.413 127.670 121.223 0.056 0.000 2.264 321 L HA 0.568 4.908 4.340 0.000 0.000 0.289 321 L C -0.045 176.857 176.870 0.053 0.000 1.044 321 L CA 0.306 55.171 54.840 0.042 0.000 0.807 321 L CB 0.936 43.013 42.059 0.030 0.000 1.192 321 L HN 0.698 nan 8.230 nan 0.000 0.425 322 E N 3.576 123.789 120.200 0.021 0.000 2.256 322 E HA 0.569 4.919 4.350 0.000 0.000 0.267 322 E C -1.358 175.184 176.600 -0.096 0.000 0.892 322 E CA -1.038 55.370 56.400 0.013 0.000 0.775 322 E CB 2.605 32.346 29.700 0.069 0.000 1.207 322 E HN 0.382 nan 8.360 nan 0.000 0.420 323 V N 1.999 121.818 119.914 -0.158 0.000 2.398 323 V HA 0.246 4.367 4.120 0.000 0.000 0.286 323 V C -0.039 175.985 176.094 -0.118 0.000 1.026 323 V CA -0.757 61.381 62.300 -0.270 0.000 0.868 323 V CB 1.424 32.827 31.823 -0.700 0.000 0.982 323 V HN 0.790 nan 8.190 nan 0.000 0.443 324 T N 3.220 117.709 114.554 -0.108 0.000 2.780 324 T HA 0.596 4.946 4.350 0.000 0.000 0.294 324 T C -0.273 174.407 174.700 -0.032 0.000 0.949 324 T CA -0.636 61.422 62.100 -0.069 0.000 1.074 324 T CB 0.857 69.688 68.868 -0.063 0.000 0.910 324 T HN 0.342 nan 8.240 nan 0.000 0.501 325 M N 3.851 123.464 119.600 0.021 0.000 2.185 325 M HA 0.303 4.783 4.480 0.000 0.000 0.357 325 M C 0.099 176.437 176.300 0.064 0.000 1.260 325 M CA -0.191 55.141 55.300 0.053 0.000 1.124 325 M CB -0.005 32.675 32.600 0.134 0.000 1.600 325 M HN 0.845 nan 8.290 nan 0.000 0.467 326 E N 1.910 122.074 120.200 -0.061 0.000 2.343 326 E HA 0.309 4.659 4.350 0.000 0.000 0.278 326 E C -1.312 175.131 176.600 -0.262 0.000 0.910 326 E CA -0.980 55.387 56.400 -0.055 0.000 0.757 326 E CB 1.081 30.808 29.700 0.044 0.000 1.218 326 E HN 0.557 nan 8.360 nan 0.000 0.435 327 H N 4.101 122.859 119.070 -0.520 0.000 2.620 327 H HA 0.164 4.720 4.556 0.000 0.000 0.313 327 H C -1.630 173.459 175.328 -0.399 0.000 1.075 327 H CA -2.223 53.455 56.048 -0.617 0.000 1.397 327 H CB 1.572 30.884 29.762 -0.750 0.000 1.446 327 H HN 0.443 nan 8.280 nan 0.000 0.493 328 P HA -0.113 nan 4.420 nan 0.000 0.240 328 P C 0.307 177.565 177.300 -0.070 0.000 1.186 328 P CA 0.908 63.647 63.100 -0.603 0.000 0.755 328 P CB 0.575 31.671 31.700 -1.007 0.000 0.870 329 K N -1.659 118.916 120.400 0.292 0.000 2.868 329 K HA 0.133 4.453 4.320 0.000 0.000 0.197 329 K C 0.689 177.450 176.600 0.268 0.000 1.543 329 K CA 0.339 56.790 56.287 0.274 0.000 1.212 329 K CB 0.028 32.758 32.500 0.384 0.000 1.840 329 K HN 0.223 nan 8.250 nan 0.000 0.571 330 Y N 3.352 123.425 120.300 -0.378 0.000 2.556 330 Y HA 0.126 4.676 4.550 0.000 0.000 0.352 330 Y C 1.132 176.786 175.900 -0.409 0.000 1.006 330 Y CA -0.659 57.138 58.100 -0.505 0.000 1.277 330 Y CB 0.676 38.503 38.460 -1.055 0.000 1.136 330 Y HN -0.059 nan 8.280 nan 0.000 0.523 331 E N 3.597 123.797 120.200 0.000 0.000 2.418 331 E HA -0.142 4.208 4.350 0.000 0.000 0.197 331 E C 1.557 178.203 176.600 0.078 0.000 1.026 331 E CA 0.387 56.813 56.400 0.043 0.000 0.862 331 E CB -0.068 29.680 29.700 0.080 0.000 0.799 331 E HN 0.857 nan 8.360 nan 0.000 0.518 332 W N -0.640 120.748 121.300 0.147 0.000 2.699 332 W HA -0.004 4.656 4.660 0.000 0.000 0.249 332 W C 1.400 177.978 176.519 0.099 0.000 1.280 332 W CA -0.272 57.125 57.345 0.087 0.000 1.345 332 W CB -1.210 28.272 29.460 0.038 0.000 1.128 332 W HN -0.095 nan 8.180 nan 0.000 0.642 333 F N 2.652 122.303 119.950 -0.497 0.000 2.046 333 F HA -0.304 4.223 4.527 0.000 0.000 0.297 333 F C 2.697 178.425 175.800 -0.121 0.000 1.123 333 F CA 3.020 60.740 58.000 -0.468 0.000 1.199 333 F CB -0.553 38.154 39.000 -0.487 0.000 0.972 333 F HN -0.160 nan 8.300 nan 0.000 0.474 334 Q N 0.383 120.279 119.800 0.161 0.000 2.156 334 Q HA -0.305 4.035 4.340 0.000 0.000 0.211 334 Q C 1.840 177.879 176.000 0.065 0.000 0.995 334 Q CA 2.422 58.295 55.803 0.117 0.000 0.877 334 Q CB -0.628 28.162 28.738 0.087 0.000 0.920 334 Q HN 0.511 nan 8.270 nan 0.000 0.416 335 E N 0.051 120.295 120.200 0.074 0.000 2.333 335 E HA -0.181 4.169 4.350 0.000 0.000 0.200 335 E C 1.561 178.185 176.600 0.041 0.000 1.010 335 E CA 0.748 57.190 56.400 0.071 0.000 0.841 335 E CB -0.243 29.524 29.700 0.111 0.000 0.757 335 E HN 0.370 nan 8.360 nan 0.000 0.508 336 L N -0.299 120.911 121.223 -0.021 0.000 2.362 336 L HA -0.016 4.324 4.340 0.000 0.000 0.219 336 L C 1.248 178.117 176.870 -0.002 0.000 1.134 336 L CA 0.451 55.252 54.840 -0.065 0.000 0.807 336 L CB -0.548 41.343 42.059 -0.280 0.000 0.927 336 L HN 0.258 nan 8.230 nan 0.000 0.447 337 G N 1.411 110.220 108.800 0.014 0.000 2.367 337 G HA2 -0.269 3.691 3.960 0.000 0.000 0.295 337 G HA3 -0.269 3.691 3.960 0.000 0.000 0.295 337 G C -0.337 174.577 174.900 0.024 0.000 1.019 337 G CA -0.105 45.017 45.100 0.038 0.000 1.224 337 G HN 0.233 nan 8.290 nan 0.000 0.510 338 L N 0.580 121.758 121.223 -0.076 0.000 2.349 338 L HA 0.684 5.024 4.340 0.000 0.000 0.278 338 L C 0.508 177.235 176.870 -0.239 0.000 0.996 338 L CA -0.941 53.792 54.840 -0.178 0.000 0.825 338 L CB 1.802 43.682 42.059 -0.299 0.000 1.243 338 L HN 0.561 nan 8.230 nan 0.000 0.412 339 K N 2.033 122.109 120.400 -0.541 0.000 2.409 339 K HA 0.634 4.954 4.320 0.000 0.000 0.252 339 K C -1.728 174.960 176.600 0.147 0.000 1.036 339 K CA -0.957 55.180 56.287 -0.249 0.000 0.871 339 K CB 3.046 35.309 32.500 -0.394 0.000 1.374 339 K HN 0.539 nan 8.250 nan 0.000 0.459 340 W N 2.074 123.398 121.300 0.040 0.000 3.953 340 W HA 0.186 4.846 4.660 0.000 0.000 0.286 340 W C -1.346 175.193 176.519 0.033 0.000 1.256 340 W CA -0.777 56.651 57.345 0.138 0.000 1.244 340 W CB 0.950 30.389 29.460 -0.037 0.000 1.262 340 W HN 0.702 nan 8.180 nan 0.000 0.522 341 Y N 1.880 122.101 120.300 -0.131 0.000 2.757 341 Y HA 0.335 4.885 4.550 0.000 0.000 0.344 341 Y C 0.832 176.871 175.900 0.231 0.000 1.263 341 Y CA 0.795 58.873 58.100 -0.038 0.000 1.493 341 Y CB 0.022 38.352 38.460 -0.218 0.000 1.342 341 Y HN 0.345 nan 8.280 nan 0.000 0.627 342 A N 2.372 125.394 122.820 0.336 0.000 2.308 342 A HA 0.286 4.606 4.320 0.000 0.000 0.217 342 A C -0.070 177.834 177.584 0.534 0.000 1.216 342 A CA -0.128 52.159 52.037 0.416 0.000 0.864 342 A CB -0.206 18.878 19.000 0.140 0.000 0.902 342 A HN 0.636 nan 8.150 nan 0.000 0.499 343 L N 1.657 123.173 121.223 0.488 0.000 2.316 343 L HA 0.497 4.837 4.340 0.000 0.000 0.280 343 L C -2.723 174.298 176.870 0.250 0.000 1.006 343 L CA -2.005 53.023 54.840 0.313 0.000 0.836 343 L CB 2.060 44.216 42.059 0.161 0.000 1.221 343 L HN -0.076 nan 8.230 nan 0.000 0.418 344 P HA 0.438 nan 4.420 nan 0.000 0.294 344 P C -1.546 175.645 177.300 -0.182 0.000 1.389 344 P CA -0.339 62.624 63.100 -0.228 0.000 0.875 344 P CB 1.481 32.672 31.700 -0.849 0.000 1.018 345 A N 4.169 126.878 122.820 -0.185 0.000 2.353 345 A HA 0.530 4.850 4.320 0.000 0.000 0.299 345 A C -0.347 177.003 177.584 -0.390 0.000 1.089 345 A CA -0.665 51.200 52.037 -0.288 0.000 0.736 345 A CB 1.333 20.158 19.000 -0.292 0.000 1.195 345 A HN 0.283 nan 8.150 nan 0.000 0.447 346 V N 1.785 121.315 119.914 -0.639 0.000 2.488 346 V HA 0.486 4.606 4.120 0.000 0.000 0.277 346 V C 1.122 176.818 176.094 -0.662 0.000 1.046 346 V CA 0.510 62.416 62.300 -0.657 0.000 0.986 346 V CB 0.814 32.141 31.823 -0.827 0.000 0.989 346 V HN 1.141 nan 8.190 nan 0.000 0.475 347 A N 3.721 126.318 122.820 -0.373 0.000 2.382 347 A HA 0.166 4.486 4.320 0.000 0.000 0.228 347 A C 1.147 178.652 177.584 -0.132 0.000 1.217 347 A CA 0.271 52.163 52.037 -0.242 0.000 0.923 347 A CB -0.265 18.630 19.000 -0.174 0.000 0.979 347 A HN 0.950 nan 8.150 nan 0.000 0.515 348 N N -1.048 117.575 118.700 -0.130 0.000 2.328 348 N HA 0.340 5.080 4.740 0.000 0.000 0.247 348 N C -0.148 175.376 175.510 0.023 0.000 1.165 348 N CA -0.235 52.787 53.050 -0.046 0.000 0.873 348 N CB 0.248 38.694 38.487 -0.068 0.000 1.125 348 N HN 0.272 nan 8.380 nan 0.000 0.513 349 M N 1.214 120.841 119.600 0.045 0.000 2.598 349 M HA 0.384 4.864 4.480 0.000 0.000 0.317 349 M C -0.867 175.575 176.300 0.236 0.000 1.201 349 M CA -0.921 54.478 55.300 0.165 0.000 0.971 349 M CB 2.802 35.524 32.600 0.203 0.000 1.657 349 M HN 0.117 nan 8.290 nan 0.000 0.470 350 L N 3.021 124.407 121.223 0.273 0.000 2.296 350 L HA 0.534 4.874 4.340 0.000 0.000 0.286 350 L C -1.326 175.743 176.870 0.332 0.000 1.023 350 L CA -0.986 54.022 54.840 0.280 0.000 0.812 350 L CB 1.190 43.370 42.059 0.201 0.000 1.223 350 L HN 0.621 nan 8.230 nan 0.000 0.421 351 L N 5.214 126.617 121.223 0.301 0.000 2.290 351 L HA 0.421 4.762 4.340 0.000 0.000 0.284 351 L C -0.402 176.574 176.870 0.177 0.000 1.078 351 L CA 0.438 55.344 54.840 0.110 0.000 0.815 351 L CB 1.009 43.057 42.059 -0.019 0.000 1.162 351 L HN 0.638 nan 8.230 nan 0.000 0.435 352 E N 5.220 125.480 120.200 0.099 0.000 2.165 352 E HA 0.463 4.813 4.350 0.000 0.000 0.266 352 E C -1.971 174.622 176.600 -0.011 0.000 0.889 352 E CA -0.414 56.049 56.400 0.106 0.000 0.756 352 E CB 1.821 31.636 29.700 0.191 0.000 1.131 352 E HN 0.542 nan 8.360 nan 0.000 0.411 353 V N 3.077 122.958 119.914 -0.054 0.000 2.851 353 V HA 0.548 4.668 4.120 0.000 0.000 0.307 353 V C 0.476 176.432 176.094 -0.229 0.000 1.129 353 V CA 0.448 62.584 62.300 -0.273 0.000 0.932 353 V CB 1.589 33.121 31.823 -0.484 0.000 1.024 353 V HN 0.866 nan 8.190 nan 0.000 0.426 354 G N 4.189 112.877 108.800 -0.187 0.000 2.379 354 G HA2 0.033 3.993 3.960 0.000 0.000 0.297 354 G HA3 0.033 3.993 3.960 0.000 0.000 0.297 354 G C 1.480 176.554 174.900 0.291 0.000 1.004 354 G CA 1.280 46.497 45.100 0.195 0.000 0.921 354 G HN 2.727 nan 8.290 nan 0.000 0.511 355 G N -2.334 106.562 108.800 0.160 0.000 2.159 355 G HA2 -0.230 3.730 3.960 0.000 0.000 0.256 355 G HA3 -0.230 3.730 3.960 0.000 0.000 0.256 355 G C 0.390 175.357 174.900 0.112 0.000 0.977 355 G CA 0.675 45.909 45.100 0.224 0.000 0.652 355 G HN 1.244 nan 8.290 nan 0.000 0.531 356 L N -0.366 120.867 121.223 0.017 0.000 2.358 356 L HA 0.809 5.149 4.340 0.000 0.000 0.268 356 L C 0.248 177.040 176.870 -0.130 0.000 1.032 356 L CA -0.919 53.841 54.840 -0.133 0.000 0.805 356 L CB 1.591 43.475 42.059 -0.292 0.000 1.253 356 L HN 0.162 nan 8.230 nan 0.000 0.452 357 E N 1.108 121.150 120.200 -0.264 0.000 2.275 357 E HA 0.396 4.746 4.350 0.000 0.000 0.270 357 E C -1.732 174.714 176.600 -0.257 0.000 0.882 357 E CA -0.444 55.881 56.400 -0.125 0.000 0.758 357 E CB 2.221 31.873 29.700 -0.080 0.000 1.195 357 E HN 0.235 nan 8.360 nan 0.000 0.419 358 F N 3.273 123.231 119.950 0.014 0.000 2.363 358 F HA 0.273 4.800 4.527 0.000 0.000 0.366 358 F C -1.544 174.315 175.800 0.098 0.000 1.083 358 F CA -2.268 55.763 58.000 0.052 0.000 1.176 358 F CB 1.151 40.176 39.000 0.041 0.000 1.432 358 F HN 0.313 nan 8.300 nan 0.000 0.482 359 P HA -0.066 nan 4.420 nan 0.000 0.236 359 P C 0.038 177.468 177.300 0.216 0.000 1.172 359 P CA 0.676 63.886 63.100 0.182 0.000 0.759 359 P CB 0.402 32.173 31.700 0.118 0.000 0.843 360 A N 0.244 123.239 122.820 0.292 0.000 2.411 360 A HA 0.548 4.868 4.320 0.000 0.000 0.285 360 A C -0.207 177.609 177.584 0.386 0.000 1.129 360 A CA -0.414 51.812 52.037 0.315 0.000 0.736 360 A CB 0.395 19.590 19.000 0.325 0.000 1.186 360 A HN 0.285 nan 8.150 nan 0.000 0.445 361 C N 0.981 120.459 119.300 0.296 0.000 2.993 361 C HA 0.465 4.926 4.460 0.000 0.000 0.298 361 C C -3.009 172.077 174.990 0.159 0.000 0.906 361 C CA -1.386 57.764 59.018 0.220 0.000 1.090 361 C CB -0.300 27.539 27.740 0.166 0.000 1.656 361 C HN 0.585 nan 8.230 nan 0.000 0.648 362 P HA 0.397 nan 4.420 nan 0.000 0.268 362 P C -0.630 176.682 177.300 0.020 0.000 1.205 362 P CA 0.841 63.884 63.100 -0.095 0.000 0.771 362 P CB 0.558 32.212 31.700 -0.077 0.000 0.858 363 F N 0.196 120.090 119.950 -0.095 0.000 2.613 363 F HA 0.634 5.161 4.527 0.000 0.000 0.310 363 F C -0.703 174.990 175.800 -0.179 0.000 1.085 363 F CA -1.205 56.728 58.000 -0.112 0.000 0.945 363 F CB 1.460 40.251 39.000 -0.347 0.000 1.298 363 F HN 0.335 nan 8.300 nan 0.000 0.455 364 N N 0.312 119.102 118.700 0.150 0.000 2.761 364 N HA 0.867 5.607 4.740 0.000 0.000 0.283 364 N C -0.929 174.518 175.510 -0.104 0.000 1.377 364 N CA -0.386 52.672 53.050 0.013 0.000 0.791 364 N CB 1.925 40.450 38.487 0.063 0.000 1.540 364 N HN 1.166 nan 8.380 nan 0.000 0.539 365 G N -1.565 107.152 108.800 -0.138 0.000 2.578 365 G HA2 0.499 4.459 3.960 0.000 0.000 0.302 365 G HA3 0.499 4.459 3.960 0.000 0.000 0.302 365 G C -2.095 172.754 174.900 -0.085 0.000 1.243 365 G CA -0.638 44.294 45.100 -0.279 0.000 0.843 365 G HN 0.720 nan 8.290 nan 0.000 0.486 366 W N -1.396 119.907 121.300 0.006 0.000 2.703 366 W HA 0.862 5.522 4.660 0.000 0.000 0.359 366 W C -1.034 175.483 176.519 -0.004 0.000 1.168 366 W CA -1.921 55.445 57.345 0.036 0.000 1.177 366 W CB 0.311 29.830 29.460 0.099 0.000 1.434 366 W HN 0.462 nan 8.180 nan 0.000 0.618 367 Y N 1.654 122.165 120.300 0.352 0.000 2.298 367 Y HA 0.350 4.900 4.550 0.000 0.000 0.329 367 Y C 0.599 176.574 175.900 0.126 0.000 1.293 367 Y CA -0.824 57.354 58.100 0.131 0.000 1.388 367 Y CB 1.270 39.711 38.460 -0.031 0.000 1.309 367 Y HN 0.360 nan 8.280 nan 0.000 0.544 368 M N 1.570 121.318 119.600 0.246 0.000 2.243 368 M HA 0.380 4.860 4.480 0.000 0.000 0.324 368 M C 0.955 177.250 176.300 -0.009 0.000 1.031 368 M CA -0.228 55.144 55.300 0.120 0.000 0.949 368 M CB 1.406 34.057 32.600 0.085 0.000 1.615 368 M HN 0.835 nan 8.290 nan 0.000 0.430 369 G N 2.110 110.863 108.800 -0.078 0.000 2.808 369 G HA2 -0.416 3.544 3.960 0.000 0.000 0.225 369 G HA3 -0.416 3.544 3.960 0.000 0.000 0.225 369 G C 1.149 175.913 174.900 -0.226 0.000 1.210 369 G CA 2.413 47.403 45.100 -0.184 0.000 0.777 369 G HN 0.934 nan 8.290 nan 0.000 0.640 370 T N -0.754 113.689 114.554 -0.185 0.000 2.751 370 T HA -0.203 4.147 4.350 0.000 0.000 0.268 370 T C 1.949 176.492 174.700 -0.262 0.000 1.045 370 T CA 2.066 64.007 62.100 -0.264 0.000 1.142 370 T CB -0.533 68.126 68.868 -0.347 0.000 0.851 370 T HN 0.618 nan 8.240 nan 0.000 0.474 371 E N 0.777 120.856 120.200 -0.201 0.000 2.097 371 E HA -0.096 4.254 4.350 0.000 0.000 0.196 371 E C 2.171 178.538 176.600 -0.388 0.000 1.000 371 E CA 1.717 58.015 56.400 -0.171 0.000 0.804 371 E CB -0.310 29.443 29.700 0.088 0.000 0.740 371 E HN 0.641 nan 8.360 nan 0.000 0.454 372 I N -0.055 120.139 120.570 -0.626 0.000 2.364 372 I HA -0.041 4.129 4.170 0.000 0.000 0.241 372 I C 2.623 178.186 176.117 -0.924 0.000 1.082 372 I CA 0.803 61.436 61.300 -1.112 0.000 1.401 372 I CB -0.652 36.565 38.000 -1.305 0.000 1.126 372 I HN 0.105 nan 8.210 nan 0.000 0.429 373 G N 0.912 109.414 108.800 -0.497 0.000 2.446 373 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 373 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 373 G C 1.661 176.503 174.900 -0.096 0.000 1.168 373 G CA 1.144 46.155 45.100 -0.148 0.000 0.771 373 G HN 0.211 nan 8.290 nan 0.000 0.551 374 V N 0.216 120.021 119.914 -0.183 0.000 2.331 374 V HA 0.028 4.148 4.120 0.000 0.000 0.242 374 V C 2.898 178.909 176.094 -0.138 0.000 1.034 374 V CA 1.339 63.552 62.300 -0.145 0.000 1.027 374 V CB -0.274 31.429 31.823 -0.199 0.000 0.667 374 V HN 0.156 nan 8.190 nan 0.000 0.457 375 R N 0.124 120.504 120.500 -0.200 0.000 2.075 375 R HA 0.017 4.357 4.340 0.000 0.000 0.220 375 R C 1.971 178.184 176.300 -0.146 0.000 1.118 375 R CA 1.156 57.158 56.100 -0.163 0.000 0.986 375 R CB -0.908 29.285 30.300 -0.177 0.000 0.884 375 R HN 0.474 nan 8.270 nan 0.000 0.439 376 D N 0.316 120.523 120.400 -0.322 0.000 2.097 376 D HA -0.098 4.542 4.640 0.000 0.000 0.197 376 D C 1.793 178.041 176.300 -0.087 0.000 0.984 376 D CA 1.132 54.913 54.000 -0.365 0.000 0.826 376 D CB -0.111 39.986 40.800 -1.171 0.000 0.973 376 D HN 0.078 nan 8.370 nan 0.000 0.460 377 F N 0.312 120.168 119.950 -0.156 0.000 2.335 377 F HA 0.020 4.547 4.527 0.000 0.000 0.296 377 F C 2.425 178.268 175.800 0.071 0.000 1.091 377 F CA -0.121 57.874 58.000 -0.008 0.000 1.399 377 F CB -0.617 38.349 39.000 -0.058 0.000 1.067 377 F HN 0.051 nan 8.300 nan 0.000 0.520 378 C N -1.430 117.983 119.300 0.189 0.000 2.609 378 C HA 0.143 4.603 4.460 0.000 0.000 0.305 378 C C 0.484 175.524 174.990 0.083 0.000 1.319 378 C CA -0.586 58.508 59.018 0.127 0.000 1.793 378 C CB -0.558 27.224 27.740 0.069 0.000 2.260 378 C HN 0.115 nan 8.230 nan 0.000 0.535 379 D N 1.759 122.189 120.400 0.050 0.000 2.648 379 D HA -0.021 4.619 4.640 0.000 0.000 0.229 379 D C 1.505 177.839 176.300 0.056 0.000 1.119 379 D CA 0.738 54.755 54.000 0.029 0.000 0.850 379 D CB 0.730 41.540 40.800 0.017 0.000 1.169 379 D HN 0.504 nan 8.370 nan 0.000 0.489 380 T N -0.206 114.370 114.554 0.036 0.000 2.915 380 T HA -0.229 4.121 4.350 0.000 0.000 0.269 380 T C 1.400 176.122 174.700 0.037 0.000 1.071 380 T CA 0.925 63.051 62.100 0.043 0.000 1.132 380 T CB -0.039 68.847 68.868 0.030 0.000 0.878 380 T HN 0.541 nan 8.240 nan 0.000 0.479 381 Q N 0.325 120.143 119.800 0.029 0.000 2.451 381 Q HA 0.087 4.427 4.340 0.000 0.000 0.206 381 Q C 1.223 177.237 176.000 0.024 0.000 0.947 381 Q CA 0.102 55.919 55.803 0.023 0.000 0.937 381 Q CB 0.096 28.847 28.738 0.021 0.000 1.025 381 Q HN 0.373 nan 8.270 nan 0.000 0.511 382 R N -0.090 120.438 120.500 0.047 0.000 1.996 382 R HA 0.207 4.547 4.340 0.000 0.000 0.120 382 R C 1.541 177.847 176.300 0.009 0.000 1.829 382 R CA -0.023 56.118 56.100 0.067 0.000 1.637 382 R CB -1.180 29.220 30.300 0.166 0.000 1.313 382 R HN 0.123 nan 8.270 nan 0.000 0.487 383 Y N 1.538 121.938 120.300 0.167 0.000 2.519 383 Y HA 0.015 4.565 4.550 0.000 0.000 0.287 383 Y C 0.395 176.382 175.900 0.145 0.000 1.128 383 Y CA 0.349 58.564 58.100 0.192 0.000 1.282 383 Y CB -0.259 38.405 38.460 0.341 0.000 1.027 383 Y HN 0.429 nan 8.280 nan 0.000 0.551 384 N N 1.397 120.235 118.700 0.230 0.000 2.684 384 N HA -0.238 4.502 4.740 0.000 0.000 0.284 384 N C 0.086 175.698 175.510 0.169 0.000 1.067 384 N CA 0.861 54.008 53.050 0.162 0.000 0.791 384 N CB -1.119 37.429 38.487 0.102 0.000 0.934 384 N HN 0.670 nan 8.380 nan 0.000 0.566 385 I N -1.867 118.817 120.570 0.190 0.000 3.927 385 I HA 0.218 4.388 4.170 0.000 0.000 0.332 385 I C 1.137 177.350 176.117 0.159 0.000 1.485 385 I CA -0.618 60.773 61.300 0.151 0.000 1.131 385 I CB 0.027 38.092 38.000 0.108 0.000 1.092 385 I HN 0.196 nan 8.210 nan 0.000 0.410 386 L N 1.569 122.899 121.223 0.179 0.000 2.141 386 L HA -0.080 4.260 4.340 0.000 0.000 0.209 386 L C 2.362 179.447 176.870 0.359 0.000 1.094 386 L CA 2.042 57.018 54.840 0.226 0.000 0.763 386 L CB -0.470 41.679 42.059 0.150 0.000 0.908 386 L HN 0.548 nan 8.230 nan 0.000 0.437 387 E N -0.651 119.729 120.200 0.299 0.000 2.028 387 E HA -0.285 4.065 4.350 0.000 0.000 0.190 387 E C 2.046 178.700 176.600 0.089 0.000 0.984 387 E CA 1.035 57.585 56.400 0.251 0.000 0.800 387 E CB -0.123 29.662 29.700 0.143 0.000 0.758 387 E HN 0.547 nan 8.360 nan 0.000 0.448 388 E N 0.415 120.662 120.200 0.079 0.000 2.114 388 E HA -0.211 4.139 4.350 0.000 0.000 0.199 388 E C 1.955 178.578 176.600 0.038 0.000 1.008 388 E CA 2.100 58.519 56.400 0.031 0.000 0.810 388 E CB -0.344 29.382 29.700 0.043 0.000 0.739 388 E HN 0.219 nan 8.360 nan 0.000 0.456 389 V N 0.425 120.419 119.914 0.133 0.000 2.407 389 V HA -0.150 3.970 4.120 0.000 0.000 0.248 389 V C 2.302 178.523 176.094 0.212 0.000 1.055 389 V CA 1.801 64.251 62.300 0.249 0.000 1.049 389 V CB -1.026 30.972 31.823 0.293 0.000 0.662 389 V HN 0.534 nan 8.190 nan 0.000 0.455 390 G N -0.111 108.793 108.800 0.172 0.000 2.404 390 G HA2 -0.184 3.776 3.960 0.000 0.000 0.215 390 G HA3 -0.184 3.776 3.960 0.000 0.000 0.215 390 G C 1.705 176.526 174.900 -0.132 0.000 1.174 390 G CA 0.544 45.700 45.100 0.093 0.000 0.780 390 G HN 0.406 nan 8.290 nan 0.000 0.537 391 R N 0.245 120.622 120.500 -0.206 0.000 2.115 391 R HA -0.080 4.260 4.340 0.000 0.000 0.239 391 R C 2.515 178.623 176.300 -0.319 0.000 1.133 391 R CA 1.434 57.388 56.100 -0.243 0.000 0.935 391 R CB -0.418 29.768 30.300 -0.190 0.000 0.853 391 R HN 0.212 nan 8.270 nan 0.000 0.433 392 R N 0.173 120.410 120.500 -0.439 0.000 2.395 392 R HA -0.029 4.311 4.340 0.000 0.000 0.203 392 R C 1.443 177.077 176.300 -1.109 0.000 1.076 392 R CA 0.725 56.276 56.100 -0.915 0.000 1.059 392 R CB -0.004 29.506 30.300 -1.317 0.000 0.860 392 R HN 0.325 nan 8.270 nan 0.000 0.476 393 M N -1.279 118.046 119.600 -0.458 0.000 2.306 393 M HA 0.180 4.660 4.480 0.000 0.000 0.292 393 M C 0.492 176.705 176.300 -0.145 0.000 1.018 393 M CA 0.044 55.255 55.300 -0.148 0.000 1.007 393 M CB 1.474 34.188 32.600 0.190 0.000 1.510 393 M HN 0.265 nan 8.290 nan 0.000 0.537 394 G N 2.877 111.545 108.800 -0.219 0.000 2.359 394 G HA2 -0.220 3.740 3.960 0.000 0.000 0.298 394 G HA3 -0.220 3.740 3.960 0.000 0.000 0.298 394 G C -0.516 174.315 174.900 -0.115 0.000 1.030 394 G CA 0.055 45.051 45.100 -0.173 0.000 1.149 394 G HN 0.406 nan 8.290 nan 0.000 0.512 395 L N -0.779 120.362 121.223 -0.137 0.000 2.330 395 L HA 0.427 4.767 4.340 0.000 0.000 0.271 395 L C 1.056 177.789 176.870 -0.228 0.000 1.013 395 L CA -1.057 53.717 54.840 -0.110 0.000 0.816 395 L CB 1.381 43.433 42.059 -0.011 0.000 1.287 395 L HN 0.223 nan 8.230 nan 0.000 0.435 396 E N 0.744 120.859 120.200 -0.141 0.000 3.259 396 E HA -0.063 4.287 4.350 0.000 0.000 0.307 396 E C 0.515 176.894 176.600 -0.367 0.000 1.375 396 E CA -0.110 56.210 56.400 -0.135 0.000 1.472 396 E CB -0.334 29.373 29.700 0.012 0.000 1.174 396 E HN 0.559 nan 8.360 nan 0.000 0.473 397 T N 0.186 114.333 114.554 -0.679 0.000 3.093 397 T HA -0.160 4.190 4.350 0.000 0.000 0.270 397 T C 0.460 174.820 174.700 -0.567 0.000 1.170 397 T CA 1.172 62.538 62.100 -1.223 0.000 1.072 397 T CB -0.228 68.098 68.868 -0.903 0.000 0.863 397 T HN 0.400 nan 8.240 nan 0.000 0.562 398 H N -0.522 118.423 119.070 -0.208 0.000 2.662 398 H HA 0.282 4.838 4.556 0.000 0.000 0.268 398 H C -0.026 175.349 175.328 0.078 0.000 1.152 398 H CA -0.297 55.744 56.048 -0.011 0.000 1.072 398 H CB 0.704 30.441 29.762 -0.042 0.000 1.660 398 H HN 0.059 nan 8.280 nan 0.000 0.584 399 T N 1.362 116.039 114.554 0.205 0.000 3.317 399 T HA 0.048 4.398 4.350 0.000 0.000 0.361 399 T C 1.093 175.977 174.700 0.307 0.000 1.499 399 T CA -0.335 61.891 62.100 0.209 0.000 1.529 399 T CB 0.596 69.555 68.868 0.151 0.000 0.997 399 T HN 0.066 nan 8.240 nan 0.000 0.624 400 L N 2.470 123.852 121.223 0.265 0.000 2.123 400 L HA -0.214 4.126 4.340 0.000 0.000 0.217 400 L C 2.431 179.352 176.870 0.085 0.000 1.081 400 L CA 2.364 57.297 54.840 0.156 0.000 0.772 400 L CB -0.652 41.452 42.059 0.074 0.000 0.890 400 L HN 0.649 nan 8.230 nan 0.000 0.437 401 A N -1.631 121.247 122.820 0.098 0.000 2.121 401 A HA -0.139 4.181 4.320 0.000 0.000 0.218 401 A C 2.350 179.985 177.584 0.086 0.000 1.154 401 A CA 1.414 53.492 52.037 0.068 0.000 0.679 401 A CB -0.824 18.212 19.000 0.061 0.000 0.795 401 A HN 0.667 nan 8.150 nan 0.000 0.458 402 S N -0.632 115.158 115.700 0.150 0.000 2.474 402 S HA 0.050 4.520 4.470 0.000 0.000 0.235 402 S C 0.867 175.555 174.600 0.148 0.000 0.997 402 S CA 0.815 59.114 58.200 0.165 0.000 0.949 402 S CB -0.660 62.679 63.200 0.232 0.000 0.766 402 S HN 0.867 nan 8.310 nan 0.000 0.517 403 L N 0.229 121.507 121.223 0.092 0.000 3.938 403 L HA -0.150 4.190 4.340 0.000 0.000 0.405 403 L C 1.502 178.402 176.870 0.051 0.000 1.202 403 L CA 0.664 55.506 54.840 0.003 0.000 0.920 403 L CB -2.495 39.578 42.059 0.024 0.000 2.054 403 L HN 0.757 nan 8.230 nan 0.000 0.815 404 W N -0.022 121.298 121.300 0.033 0.000 2.402 404 W HA -0.102 4.558 4.660 0.000 0.000 0.286 404 W C 1.645 178.193 176.519 0.048 0.000 1.221 404 W CA 1.158 58.529 57.345 0.043 0.000 1.257 404 W CB -0.643 28.839 29.460 0.037 0.000 1.120 404 W HN 0.269 nan 8.180 nan 0.000 0.551 405 K N 1.015 121.023 120.400 -0.654 0.000 2.057 405 K HA -0.159 4.161 4.320 0.000 0.000 0.207 405 K C 1.461 177.956 176.600 -0.175 0.000 1.049 405 K CA 2.190 58.129 56.287 -0.579 0.000 0.931 405 K CB -0.366 31.654 32.500 -0.799 0.000 0.714 405 K HN -0.024 nan 8.250 nan 0.000 0.440 406 D N 0.156 120.475 120.400 -0.134 0.000 2.178 406 D HA -0.112 4.528 4.640 0.000 0.000 0.201 406 D C 1.955 178.276 176.300 0.036 0.000 0.980 406 D CA 0.899 54.874 54.000 -0.041 0.000 0.842 406 D CB 0.147 40.931 40.800 -0.027 0.000 0.948 406 D HN 0.057 nan 8.370 nan 0.000 0.472 407 R N 0.381 120.935 120.500 0.090 0.000 2.062 407 R HA 0.110 4.451 4.340 0.000 0.000 0.229 407 R C 2.097 178.509 176.300 0.187 0.000 1.128 407 R CA 0.990 57.183 56.100 0.156 0.000 0.960 407 R CB -0.662 29.765 30.300 0.213 0.000 0.855 407 R HN 0.179 nan 8.270 nan 0.000 0.432 408 A N 0.988 123.944 122.820 0.226 0.000 1.821 408 A HA -0.159 4.161 4.320 0.000 0.000 0.215 408 A C 2.206 179.902 177.584 0.186 0.000 1.216 408 A CA 1.758 53.953 52.037 0.263 0.000 0.615 408 A CB -1.325 17.876 19.000 0.335 0.000 0.862 408 A HN 0.141 nan 8.150 nan 0.000 0.450 409 V N 0.079 120.064 119.914 0.119 0.000 2.418 409 V HA -0.321 3.799 4.120 0.000 0.000 0.258 409 V C 2.471 178.604 176.094 0.064 0.000 1.088 409 V CA 3.234 65.578 62.300 0.073 0.000 1.091 409 V CB -1.030 30.794 31.823 0.002 0.000 0.669 409 V HN 0.718 nan 8.190 nan 0.000 0.461 410 T N -0.511 114.086 114.554 0.072 0.000 2.770 410 T HA -0.106 4.244 4.350 0.000 0.000 0.263 410 T C 1.786 176.519 174.700 0.055 0.000 1.039 410 T CA 1.408 63.547 62.100 0.064 0.000 1.142 410 T CB -0.278 68.636 68.868 0.076 0.000 0.868 410 T HN 0.538 nan 8.240 nan 0.000 0.435 411 E N 1.040 121.295 120.200 0.091 0.000 2.118 411 E HA -0.039 4.311 4.350 0.000 0.000 0.195 411 E C 2.194 178.807 176.600 0.020 0.000 0.992 411 E CA 0.727 57.172 56.400 0.074 0.000 0.804 411 E CB -0.403 29.362 29.700 0.109 0.000 0.741 411 E HN 0.532 nan 8.360 nan 0.000 0.458 412 I N 1.502 122.147 120.570 0.124 0.000 2.286 412 I HA -0.254 3.916 4.170 0.000 0.000 0.248 412 I C 1.869 177.991 176.117 0.007 0.000 1.115 412 I CA 0.794 62.181 61.300 0.145 0.000 1.392 412 I CB -0.273 37.865 38.000 0.231 0.000 1.065 412 I HN 0.027 nan 8.210 nan 0.000 0.418 413 N N 0.352 119.043 118.700 -0.014 0.000 2.396 413 N HA -0.074 4.666 4.740 0.000 0.000 0.180 413 N C 1.841 177.291 175.510 -0.099 0.000 1.028 413 N CA 0.924 53.944 53.050 -0.050 0.000 0.893 413 N CB 0.038 38.517 38.487 -0.015 0.000 0.967 413 N HN 0.195 nan 8.380 nan 0.000 0.440 414 V N 1.062 120.879 119.914 -0.162 0.000 2.488 414 V HA -0.065 4.055 4.120 0.000 0.000 0.246 414 V C 2.405 178.264 176.094 -0.392 0.000 1.046 414 V CA 1.480 63.623 62.300 -0.262 0.000 1.053 414 V CB -0.789 30.830 31.823 -0.340 0.000 0.679 414 V HN 0.210 nan 8.190 nan 0.000 0.458 415 A N 0.248 122.738 122.820 -0.550 0.000 1.858 415 A HA -0.155 4.165 4.320 0.000 0.000 0.216 415 A C 2.411 179.842 177.584 -0.254 0.000 1.190 415 A CA 2.113 53.764 52.037 -0.642 0.000 0.617 415 A CB -0.803 17.491 19.000 -1.176 0.000 0.827 415 A HN 0.296 nan 8.150 nan 0.000 0.443 416 V N 0.044 119.872 119.914 -0.145 0.000 2.287 416 V HA -0.288 3.832 4.120 0.000 0.000 0.248 416 V C 2.587 178.663 176.094 -0.029 0.000 1.053 416 V CA 2.133 64.420 62.300 -0.021 0.000 1.027 416 V CB -0.750 31.027 31.823 -0.078 0.000 0.646 416 V HN 0.559 nan 8.190 nan 0.000 0.447 417 L N -0.690 120.481 121.223 -0.086 0.000 2.093 417 L HA -0.173 4.167 4.340 0.000 0.000 0.208 417 L C 2.629 179.506 176.870 0.012 0.000 1.085 417 L CA 1.805 56.606 54.840 -0.065 0.000 0.755 417 L CB -0.713 41.310 42.059 -0.059 0.000 0.904 417 L HN 0.531 nan 8.230 nan 0.000 0.435 418 H N -0.983 118.028 119.070 -0.100 0.000 2.395 418 H HA -0.076 4.480 4.556 0.000 0.000 0.299 418 H C 2.116 177.415 175.328 -0.049 0.000 1.070 418 H CA 1.453 57.442 56.048 -0.099 0.000 1.356 418 H CB 0.405 30.051 29.762 -0.193 0.000 1.401 418 H HN 0.176 nan 8.280 nan 0.000 0.524 419 S N 0.032 115.620 115.700 -0.186 0.000 2.447 419 S HA -0.049 4.421 4.470 0.000 0.000 0.233 419 S C 1.604 176.145 174.600 -0.097 0.000 1.006 419 S CA 0.643 58.731 58.200 -0.186 0.000 0.957 419 S CB -0.241 62.941 63.200 -0.029 0.000 0.773 419 S HN 0.287 nan 8.310 nan 0.000 0.507 420 F N 1.566 121.411 119.950 -0.174 0.000 2.220 420 F HA 0.080 4.607 4.527 0.000 0.000 0.290 420 F C 2.491 178.213 175.800 -0.129 0.000 1.080 420 F CA 0.738 58.669 58.000 -0.114 0.000 1.318 420 F CB -0.583 38.372 39.000 -0.074 0.000 1.063 420 F HN 0.097 nan 8.300 nan 0.000 0.498 421 Q N 0.023 119.850 119.800 0.045 0.000 2.124 421 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 421 Q C 2.053 177.991 176.000 -0.103 0.000 0.977 421 Q CA 1.705 57.489 55.803 -0.031 0.000 0.850 421 Q CB -0.180 28.540 28.738 -0.030 0.000 0.901 421 Q HN 0.133 nan 8.270 nan 0.000 0.429 422 K N 1.142 121.414 120.400 -0.213 0.000 2.009 422 K HA -0.204 4.116 4.320 0.000 0.000 0.210 422 K C 1.606 178.116 176.600 -0.151 0.000 1.049 422 K CA 1.707 57.856 56.287 -0.231 0.000 0.929 422 K CB 0.011 32.262 32.500 -0.415 0.000 0.714 422 K HN 0.159 nan 8.250 nan 0.000 0.440 423 Q N 0.219 119.921 119.800 -0.163 0.000 2.444 423 Q HA 0.100 4.440 4.340 0.000 0.000 0.206 423 Q C -0.472 175.463 176.000 -0.109 0.000 0.948 423 Q CA 0.206 55.927 55.803 -0.137 0.000 0.946 423 Q CB 0.191 28.822 28.738 -0.178 0.000 1.027 423 Q HN 0.377 nan 8.270 nan 0.000 0.513 424 N N -0.536 118.111 118.700 -0.088 0.000 2.741 424 N HA -0.141 4.599 4.740 0.000 0.000 0.250 424 N C -1.004 174.481 175.510 -0.041 0.000 1.115 424 N CA 0.550 53.565 53.050 -0.058 0.000 0.724 424 N CB -1.656 36.799 38.487 -0.055 0.000 1.090 424 N HN 0.034 nan 8.380 nan 0.000 0.558 425 V N 1.240 121.137 119.914 -0.029 0.000 2.509 425 V HA 0.193 4.313 4.120 0.000 0.000 0.284 425 V C 1.141 177.324 176.094 0.148 0.000 1.047 425 V CA -0.362 61.958 62.300 0.033 0.000 0.952 425 V CB 1.742 33.527 31.823 -0.063 0.000 0.988 425 V HN 0.142 nan 8.190 nan 0.000 0.469 426 T N 6.243 120.846 114.554 0.083 0.000 2.871 426 T HA 0.324 4.674 4.350 0.000 0.000 0.296 426 T C -0.266 174.486 174.700 0.087 0.000 0.998 426 T CA 0.773 62.848 62.100 -0.042 0.000 1.162 426 T CB -0.093 68.632 68.868 -0.238 0.000 0.947 426 T HN 0.471 nan 8.240 nan 0.000 0.536 427 I N 2.850 123.402 120.570 -0.030 0.000 2.994 427 I HA 0.694 4.864 4.170 0.000 0.000 0.306 427 I C -1.286 174.795 176.117 -0.061 0.000 1.195 427 I CA -1.193 60.085 61.300 -0.036 0.000 1.001 427 I CB 2.299 40.214 38.000 -0.143 0.000 1.244 427 I HN 0.709 nan 8.210 nan 0.000 0.437 428 M N 6.195 125.812 119.600 0.028 0.000 2.224 428 M HA 0.370 4.850 4.480 0.000 0.000 0.281 428 M C -1.594 174.742 176.300 0.059 0.000 1.025 428 M CA -0.628 54.717 55.300 0.076 0.000 0.954 428 M CB 1.251 34.002 32.600 0.251 0.000 1.639 428 M HN 0.707 nan 8.290 nan 0.000 0.461 429 D N 4.194 124.613 120.400 0.031 0.000 2.378 429 D HA -0.054 4.586 4.640 0.000 0.000 0.238 429 D C 0.608 176.927 176.300 0.032 0.000 1.180 429 D CA 0.035 54.053 54.000 0.030 0.000 0.895 429 D CB 0.554 41.353 40.800 -0.002 0.000 1.192 429 D HN 0.854 nan 8.370 nan 0.000 0.438 430 H N 0.319 119.342 119.070 -0.078 0.000 2.529 430 H HA -0.077 4.479 4.556 0.000 0.000 0.277 430 H C 1.062 176.288 175.328 -0.169 0.000 0.999 430 H CA 0.794 56.757 56.048 -0.143 0.000 1.256 430 H CB -0.397 29.226 29.762 -0.231 0.000 1.402 430 H HN 0.527 nan 8.280 nan 0.000 0.566 431 H N 0.894 119.737 119.070 -0.378 0.000 2.403 431 H HA 0.004 4.560 4.556 0.000 0.000 0.298 431 H C 1.653 176.946 175.328 -0.058 0.000 1.059 431 H CA 1.738 57.658 56.048 -0.214 0.000 1.363 431 H CB 0.152 29.762 29.762 -0.254 0.000 1.410 431 H HN 0.395 nan 8.280 nan 0.000 0.528 432 T N 0.929 115.524 114.554 0.069 0.000 2.812 432 T HA -0.019 4.332 4.350 0.000 0.000 0.264 432 T C 2.355 177.119 174.700 0.106 0.000 1.042 432 T CA 0.939 63.088 62.100 0.082 0.000 1.140 432 T CB -0.281 68.628 68.868 0.068 0.000 0.870 432 T HN 0.380 nan 8.240 nan 0.000 0.445 433 A N 1.811 124.693 122.820 0.105 0.000 1.865 433 A HA -0.127 4.193 4.320 0.000 0.000 0.217 433 A C 2.585 180.257 177.584 0.147 0.000 1.191 433 A CA 2.064 54.182 52.037 0.135 0.000 0.623 433 A CB -1.107 17.963 19.000 0.116 0.000 0.826 433 A HN 0.435 nan 8.150 nan 0.000 0.444 434 S N -0.747 115.015 115.700 0.104 0.000 2.440 434 S HA -0.187 4.283 4.470 0.000 0.000 0.240 434 S C 1.841 176.553 174.600 0.187 0.000 1.014 434 S CA 1.530 59.803 58.200 0.122 0.000 0.980 434 S CB -0.216 63.026 63.200 0.071 0.000 0.775 434 S HN 0.706 nan 8.310 nan 0.000 0.499 435 E N 0.857 121.153 120.200 0.159 0.000 2.060 435 E HA -0.083 4.267 4.350 0.000 0.000 0.189 435 E C 2.265 178.957 176.600 0.152 0.000 0.974 435 E CA 0.999 57.488 56.400 0.147 0.000 0.808 435 E CB -0.041 29.726 29.700 0.112 0.000 0.768 435 E HN 0.605 nan 8.360 nan 0.000 0.453 436 S N 0.152 115.946 115.700 0.158 0.000 2.419 436 S HA -0.176 4.294 4.470 0.000 0.000 0.233 436 S C 1.844 176.545 174.600 0.169 0.000 1.016 436 S CA 0.661 58.949 58.200 0.147 0.000 0.974 436 S CB -0.494 62.797 63.200 0.151 0.000 0.786 436 S HN 0.341 nan 8.310 nan 0.000 0.492 437 F N 1.970 121.981 119.950 0.101 0.000 2.186 437 F HA 0.104 4.631 4.527 0.000 0.000 0.299 437 F C 2.288 178.176 175.800 0.148 0.000 1.090 437 F CA 1.172 59.246 58.000 0.125 0.000 1.307 437 F CB -0.283 38.770 39.000 0.088 0.000 1.019 437 F HN 0.105 nan 8.300 nan 0.000 0.489 438 M N 0.016 119.689 119.600 0.122 0.000 2.132 438 M HA -0.164 4.316 4.480 0.000 0.000 0.263 438 M C 2.196 178.474 176.300 -0.037 0.000 1.065 438 M CA 1.450 56.777 55.300 0.046 0.000 1.122 438 M CB -1.129 31.542 32.600 0.118 0.000 1.365 438 M HN 0.053 nan 8.290 nan 0.000 0.411 439 K N -0.374 120.029 120.400 0.005 0.000 2.057 439 K HA -0.206 4.114 4.320 0.000 0.000 0.207 439 K C 2.001 178.578 176.600 -0.040 0.000 1.049 439 K CA 1.738 58.025 56.287 -0.000 0.000 0.931 439 K CB -0.510 32.012 32.500 0.038 0.000 0.714 439 K HN 0.358 nan 8.250 nan 0.000 0.440 440 H N -0.147 118.818 119.070 -0.175 0.000 2.293 440 H HA -0.078 4.478 4.556 0.000 0.000 0.300 440 H C 1.983 177.126 175.328 -0.308 0.000 1.082 440 H CA 2.511 58.414 56.048 -0.242 0.000 1.308 440 H CB -0.246 29.314 29.762 -0.338 0.000 1.375 440 H HN 0.263 nan 8.280 nan 0.000 0.495 441 M N -0.139 119.137 119.600 -0.540 0.000 2.202 441 M HA -0.231 4.249 4.480 0.000 0.000 0.262 441 M C 2.037 178.292 176.300 -0.075 0.000 1.063 441 M CA 1.844 56.917 55.300 -0.378 0.000 1.097 441 M CB 0.024 32.468 32.600 -0.259 0.000 1.382 441 M HN 0.416 nan 8.290 nan 0.000 0.413 442 Q N -0.070 119.670 119.800 -0.099 0.000 2.083 442 Q HA -0.119 4.221 4.340 0.000 0.000 0.198 442 Q C 1.760 177.728 176.000 -0.053 0.000 0.969 442 Q CA 1.636 57.417 55.803 -0.037 0.000 0.838 442 Q CB -0.033 28.678 28.738 -0.046 0.000 0.900 442 Q HN 0.597 nan 8.270 nan 0.000 0.436 443 N N 0.363 118.983 118.700 -0.134 0.000 2.080 443 N HA -0.142 4.598 4.740 0.000 0.000 0.189 443 N C 1.527 176.909 175.510 -0.214 0.000 1.036 443 N CA 0.953 53.919 53.050 -0.139 0.000 0.846 443 N CB -0.180 38.238 38.487 -0.114 0.000 1.015 443 N HN 0.177 nan 8.380 nan 0.000 0.423 444 E N 0.423 120.377 120.200 -0.410 0.000 2.171 444 E HA -0.162 4.188 4.350 0.000 0.000 0.197 444 E C 1.798 178.137 176.600 -0.435 0.000 0.997 444 E CA 0.877 56.976 56.400 -0.501 0.000 0.810 444 E CB -0.347 28.918 29.700 -0.725 0.000 0.738 444 E HN 0.544 nan 8.360 nan 0.000 0.467 445 Y N 0.346 120.522 120.300 -0.206 0.000 2.243 445 Y HA -0.020 4.530 4.550 0.000 0.000 0.293 445 Y C 2.611 178.439 175.900 -0.121 0.000 1.124 445 Y CA 1.054 59.070 58.100 -0.140 0.000 1.159 445 Y CB 0.036 38.417 38.460 -0.131 0.000 1.008 445 Y HN -0.072 nan 8.280 nan 0.000 0.527 446 R N -0.420 120.084 120.500 0.007 0.000 2.115 446 R HA -0.091 4.249 4.340 0.000 0.000 0.226 446 R C 2.352 178.621 176.300 -0.050 0.000 1.100 446 R CA 0.881 56.966 56.100 -0.024 0.000 0.980 446 R CB -0.364 29.918 30.300 -0.031 0.000 0.875 446 R HN 0.307 nan 8.270 nan 0.000 0.445 447 A N 1.790 124.558 122.820 -0.087 0.000 1.825 447 A HA -0.158 4.162 4.320 0.000 0.000 0.214 447 A C 1.578 179.102 177.584 -0.100 0.000 1.206 447 A CA 1.501 53.482 52.037 -0.093 0.000 0.609 447 A CB -0.164 18.756 19.000 -0.132 0.000 0.851 447 A HN 0.391 nan 8.150 nan 0.000 0.445 448 R N -1.854 118.552 120.500 -0.156 0.000 2.668 448 R HA 0.425 4.765 4.340 0.000 0.000 0.435 448 R C 0.606 176.820 176.300 -0.144 0.000 1.059 448 R CA 0.235 56.255 56.100 -0.135 0.000 1.073 448 R CB -0.695 29.516 30.300 -0.148 0.000 1.401 448 R HN 0.849 nan 8.270 nan 0.000 0.590 449 G N 0.228 108.953 108.800 -0.124 0.000 2.395 449 G HA2 -0.073 3.887 3.960 0.000 0.000 0.300 449 G HA3 -0.073 3.887 3.960 0.000 0.000 0.300 449 G C 0.250 175.049 174.900 -0.169 0.000 0.998 449 G CA 0.401 45.472 45.100 -0.049 0.000 1.046 449 G HN 0.951 nan 8.290 nan 0.000 0.513 450 G N -2.411 105.985 108.800 -0.672 0.000 2.376 450 G HA2 0.553 4.513 3.960 0.000 0.000 0.302 450 G HA3 0.553 4.513 3.960 0.000 0.000 0.302 450 G C -0.832 173.611 174.900 -0.762 0.000 1.586 450 G CA 0.193 44.887 45.100 -0.676 0.000 0.907 450 G HN 1.929 nan 8.290 nan 0.000 0.655 451 C N 3.080 122.094 119.300 -0.475 0.000 2.887 451 C HA 0.658 5.118 4.460 0.000 0.000 0.379 451 C C -2.594 172.261 174.990 -0.225 0.000 1.064 451 C CA -1.273 57.542 59.018 -0.337 0.000 1.282 451 C CB 1.347 28.872 27.740 -0.357 0.000 1.749 451 C HN 0.681 nan 8.230 nan 0.000 0.489 452 P HA 0.331 nan 4.420 nan 0.000 0.264 452 P C -0.471 176.686 177.300 -0.237 0.000 1.229 452 P CA 0.770 63.415 63.100 -0.758 0.000 0.780 452 P CB 0.733 31.885 31.700 -0.914 0.000 0.808 453 A N 3.268 126.030 122.820 -0.097 0.000 2.356 453 A HA 0.399 4.719 4.320 0.000 0.000 0.310 453 A C -0.576 177.035 177.584 0.046 0.000 1.075 453 A CA -0.570 51.509 52.037 0.070 0.000 0.746 453 A CB 1.053 20.216 19.000 0.272 0.000 1.221 453 A HN 0.408 nan 8.150 nan 0.000 0.443 454 D N 2.420 122.844 120.400 0.039 0.000 2.479 454 D HA 0.085 4.725 4.640 0.000 0.000 0.218 454 D C 0.853 177.264 176.300 0.185 0.000 1.131 454 D CA -0.573 53.486 54.000 0.098 0.000 0.916 454 D CB 0.128 40.961 40.800 0.056 0.000 1.022 454 D HN 0.624 nan 8.370 nan 0.000 0.515 455 W N 4.339 125.655 121.300 0.027 0.000 2.290 455 W HA -0.259 4.401 4.660 0.000 0.000 0.311 455 W C 1.683 178.223 176.519 0.035 0.000 1.238 455 W CA 1.330 58.681 57.345 0.011 0.000 1.255 455 W CB -0.061 29.389 29.460 -0.016 0.000 1.145 455 W HN 0.457 nan 8.180 nan 0.000 0.506 456 I N -1.266 119.582 120.570 0.465 0.000 2.286 456 I HA -0.297 3.873 4.170 0.000 0.000 0.248 456 I C 1.834 178.046 176.117 0.159 0.000 1.115 456 I CA 1.429 62.944 61.300 0.358 0.000 1.392 456 I CB -0.672 37.569 38.000 0.402 0.000 1.065 456 I HN 0.092 nan 8.210 nan 0.000 0.418 457 W N 0.463 121.740 121.300 -0.037 0.000 2.539 457 W HA 0.084 4.744 4.660 0.000 0.000 0.281 457 W C 2.293 178.699 176.519 -0.188 0.000 1.220 457 W CA 0.370 57.666 57.345 -0.081 0.000 1.332 457 W CB -0.440 29.003 29.460 -0.028 0.000 1.095 457 W HN -0.052 nan 8.180 nan 0.000 0.571 458 L N -0.057 121.129 121.223 -0.061 0.000 2.201 458 L HA -0.065 4.275 4.340 0.000 0.000 0.212 458 L C 0.562 177.215 176.870 -0.361 0.000 1.105 458 L CA 0.379 55.041 54.840 -0.296 0.000 0.775 458 L CB -0.996 40.779 42.059 -0.473 0.000 0.913 458 L HN -0.372 nan 8.230 nan 0.000 0.440 459 V N 0.755 120.396 119.914 -0.456 0.000 2.461 459 V HA 0.185 4.305 4.120 0.000 0.000 0.275 459 V C -1.893 174.023 176.094 -0.296 0.000 1.047 459 V CA -1.564 60.455 62.300 -0.470 0.000 0.955 459 V CB 0.591 31.920 31.823 -0.824 0.000 0.988 459 V HN 0.016 nan 8.190 nan 0.000 0.471 460 P HA 0.085 nan 4.420 nan 0.000 0.267 460 P C -1.909 175.259 177.300 -0.220 0.000 1.201 460 P CA -0.886 62.086 63.100 -0.214 0.000 0.775 460 P CB 0.050 31.641 31.700 -0.181 0.000 0.854 461 P HA -0.004 nan 4.420 nan 0.000 0.249 461 P C -0.364 176.819 177.300 -0.195 0.000 1.241 461 P CA 0.698 63.673 63.100 -0.208 0.000 0.781 461 P CB 0.143 31.712 31.700 -0.219 0.000 1.088 462 V N -6.380 113.390 119.914 -0.239 0.000 3.000 462 V HA 0.572 4.693 4.120 0.000 0.000 0.300 462 V C 0.270 176.277 176.094 -0.144 0.000 1.251 462 V CA -0.636 61.547 62.300 -0.196 0.000 0.972 462 V CB 1.373 33.050 31.823 -0.244 0.000 1.065 462 V HN -0.121 nan 8.190 nan 0.000 0.431 463 S N 1.285 116.964 115.700 -0.034 0.000 3.091 463 S HA -0.195 4.275 4.470 0.000 0.000 0.275 463 S C 1.667 176.256 174.600 -0.019 0.000 1.306 463 S CA 1.659 59.887 58.200 0.047 0.000 1.083 463 S CB -1.600 61.712 63.200 0.185 0.000 1.313 463 S HN 2.344 nan 8.310 nan 0.000 0.673 464 G N 1.884 110.645 108.800 -0.065 0.000 2.870 464 G HA2 -0.448 3.512 3.960 0.000 0.000 0.237 464 G HA3 -0.448 3.512 3.960 0.000 0.000 0.237 464 G C 1.459 176.174 174.900 -0.309 0.000 1.209 464 G CA 2.160 47.221 45.100 -0.065 0.000 0.769 464 G HN 1.031 nan 8.290 nan 0.000 0.704 465 S N -0.050 115.131 115.700 -0.865 0.000 2.400 465 S HA -0.073 4.397 4.470 0.000 0.000 0.232 465 S C 2.313 176.825 174.600 -0.147 0.000 1.025 465 S CA 1.216 58.785 58.200 -1.051 0.000 0.993 465 S CB -0.272 62.434 63.200 -0.823 0.000 0.808 465 S HN 0.282 nan 8.310 nan 0.000 0.478 466 I N 2.317 122.857 120.570 -0.050 0.000 3.083 466 I HA -0.006 4.164 4.170 0.000 0.000 0.273 466 I C 1.183 177.415 176.117 0.192 0.000 1.297 466 I CA 0.751 62.111 61.300 0.101 0.000 1.452 466 I CB -2.318 35.773 38.000 0.151 0.000 1.078 466 I HN 0.463 nan 8.210 nan 0.000 0.484 467 T N -1.650 113.012 114.554 0.180 0.000 2.888 467 T HA 0.387 4.737 4.350 0.000 0.000 0.284 467 T C -1.433 173.440 174.700 0.288 0.000 1.017 467 T CA -1.804 60.423 62.100 0.213 0.000 1.022 467 T CB 2.535 71.477 68.868 0.124 0.000 1.013 467 T HN -0.132 nan 8.240 nan 0.000 0.465 468 P HA -0.067 nan 4.420 nan 0.000 0.218 468 P C 1.666 179.168 177.300 0.338 0.000 1.149 468 P CA 0.541 63.837 63.100 0.326 0.000 0.817 468 P CB -0.138 31.695 31.700 0.221 0.000 0.785 469 V N -0.057 120.001 119.914 0.240 0.000 2.332 469 V HA -0.245 3.875 4.120 0.000 0.000 0.248 469 V C 2.460 178.655 176.094 0.168 0.000 1.055 469 V CA 1.879 64.285 62.300 0.177 0.000 1.038 469 V CB -1.675 30.157 31.823 0.015 0.000 0.651 469 V HN -0.034 nan 8.190 nan 0.000 0.450 470 F N 1.042 120.970 119.950 -0.036 0.000 2.115 470 F HA -0.259 4.268 4.527 0.000 0.000 0.300 470 F C 2.262 178.156 175.800 0.156 0.000 1.092 470 F CA 2.059 60.042 58.000 -0.028 0.000 1.245 470 F CB -0.297 38.559 39.000 -0.240 0.000 0.995 470 F HN 0.333 nan 8.300 nan 0.000 0.481 471 H N -0.795 118.614 119.070 0.565 0.000 2.538 471 H HA 0.154 4.710 4.556 0.000 0.000 0.286 471 H C 0.048 175.627 175.328 0.417 0.000 1.035 471 H CA 0.094 56.428 56.048 0.478 0.000 1.169 471 H CB -0.287 29.744 29.762 0.448 0.000 1.417 471 H HN 0.262 nan 8.280 nan 0.000 0.567 472 Q N 1.808 121.879 119.800 0.452 0.000 2.333 472 Q HA 0.195 4.535 4.340 0.000 0.000 0.265 472 Q C -0.676 175.536 176.000 0.353 0.000 0.989 472 Q CA -0.521 55.498 55.803 0.359 0.000 0.842 472 Q CB 1.084 30.010 28.738 0.313 0.000 1.262 472 Q HN 0.239 nan 8.270 nan 0.000 0.451 473 E N 3.683 124.027 120.200 0.241 0.000 2.331 473 E HA 0.416 4.766 4.350 0.000 0.000 0.272 473 E C -0.519 176.181 176.600 0.166 0.000 1.036 473 E CA 0.051 56.549 56.400 0.163 0.000 0.864 473 E CB 0.965 30.743 29.700 0.130 0.000 1.035 473 E HN 0.614 nan 8.360 nan 0.000 0.408 474 M N 1.774 121.473 119.600 0.166 0.000 2.664 474 M HA 0.440 4.920 4.480 0.000 0.000 0.279 474 M C -1.424 174.956 176.300 0.133 0.000 1.275 474 M CA -1.007 54.409 55.300 0.193 0.000 0.829 474 M CB 1.396 34.157 32.600 0.269 0.000 1.727 474 M HN 0.196 nan 8.290 nan 0.000 0.459 475 L N 1.619 122.939 121.223 0.162 0.000 2.365 475 L HA 0.537 4.878 4.340 0.000 0.000 0.273 475 L C -0.900 176.014 176.870 0.073 0.000 1.000 475 L CA -0.201 54.725 54.840 0.142 0.000 0.819 475 L CB 1.812 44.012 42.059 0.235 0.000 1.284 475 L HN 0.636 nan 8.230 nan 0.000 0.418 476 N N 2.515 121.179 118.700 -0.061 0.000 2.564 476 N HA 0.464 5.204 4.740 0.000 0.000 0.248 476 N C -1.679 173.517 175.510 -0.522 0.000 0.986 476 N CA -0.340 52.511 53.050 -0.333 0.000 0.921 476 N CB 0.420 38.693 38.487 -0.357 0.000 1.136 476 N HN 0.365 nan 8.380 nan 0.000 0.509 477 Y N 0.205 120.282 120.300 -0.371 0.000 2.576 477 Y HA 0.692 5.242 4.550 0.000 0.000 0.346 477 Y C -0.667 175.114 175.900 -0.198 0.000 1.018 477 Y CA -1.508 56.403 58.100 -0.315 0.000 1.050 477 Y CB 0.676 39.055 38.460 -0.135 0.000 1.280 477 Y HN -0.041 nan 8.280 nan 0.000 0.474 478 V N 4.390 124.271 119.914 -0.055 0.000 2.348 478 V HA 0.322 4.442 4.120 0.000 0.000 0.270 478 V C 0.217 176.148 176.094 -0.271 0.000 1.037 478 V CA -0.391 61.636 62.300 -0.455 0.000 0.872 478 V CB 0.132 31.579 31.823 -0.627 0.000 1.002 478 V HN 0.758 nan 8.190 nan 0.000 0.464 479 L N 2.885 123.991 121.223 -0.195 0.000 2.902 479 L HA 0.706 5.046 4.340 0.000 0.000 0.229 479 L C 0.377 177.233 176.870 -0.023 0.000 1.324 479 L CA -0.478 54.350 54.840 -0.020 0.000 1.230 479 L CB 1.115 43.215 42.059 0.069 0.000 2.134 479 L HN 0.577 nan 8.230 nan 0.000 0.567 480 S N -1.035 114.688 115.700 0.038 0.000 2.546 480 S HA 0.526 4.996 4.470 0.000 0.000 0.272 480 S C -2.638 171.992 174.600 0.050 0.000 1.140 480 S CA -1.021 57.208 58.200 0.049 0.000 0.920 480 S CB 1.870 65.080 63.200 0.017 0.000 1.083 480 S HN 0.121 nan 8.310 nan 0.000 0.476 481 P HA 0.481 nan 4.420 nan 0.000 0.272 481 P C -1.267 176.033 177.300 0.001 0.000 1.254 481 P CA -0.155 62.904 63.100 -0.068 0.000 0.795 481 P CB 0.304 31.875 31.700 -0.215 0.000 1.022 482 F N -0.718 119.069 119.950 -0.271 0.000 2.693 482 F HA 0.408 4.936 4.527 0.000 0.000 0.309 482 F C -1.672 173.892 175.800 -0.394 0.000 1.129 482 F CA -0.686 57.102 58.000 -0.353 0.000 0.948 482 F CB 1.107 39.879 39.000 -0.380 0.000 1.315 482 F HN 0.149 nan 8.300 nan 0.000 0.447 483 Y N 4.208 124.041 120.300 -0.778 0.000 2.491 483 Y HA 0.434 4.984 4.550 0.000 0.000 0.334 483 Y C -0.839 174.777 175.900 -0.473 0.000 0.969 483 Y CA -0.703 57.141 58.100 -0.426 0.000 1.241 483 Y CB 0.301 38.500 38.460 -0.434 0.000 1.105 483 Y HN 0.370 nan 8.280 nan 0.000 0.503 484 Y N 1.169 121.489 120.300 0.034 0.000 2.374 484 Y HA 0.340 4.890 4.550 0.000 0.000 0.322 484 Y C -0.129 175.745 175.900 -0.042 0.000 1.275 484 Y CA -0.844 57.256 58.100 -0.000 0.000 1.307 484 Y CB 0.760 39.278 38.460 0.097 0.000 1.282 484 Y HN 0.385 nan 8.280 nan 0.000 0.509 485 Y N 0.232 120.669 120.300 0.229 0.000 2.340 485 Y HA 0.376 4.926 4.550 0.000 0.000 0.327 485 Y C 0.126 176.079 175.900 0.089 0.000 1.321 485 Y CA -1.169 56.993 58.100 0.104 0.000 1.433 485 Y CB 0.584 39.073 38.460 0.048 0.000 1.373 485 Y HN 0.461 nan 8.280 nan 0.000 0.538 486 Q N -0.033 119.880 119.800 0.189 0.000 2.668 486 Q HA 0.584 4.925 4.340 0.000 0.000 0.298 486 Q C -1.420 174.548 176.000 -0.052 0.000 1.071 486 Q CA -1.075 54.757 55.803 0.048 0.000 0.789 486 Q CB 2.698 31.438 28.738 0.004 0.000 1.497 486 Q HN 0.476 nan 8.270 nan 0.000 0.460 487 I N 1.924 122.417 120.570 -0.128 0.000 2.353 487 I HA 0.100 4.270 4.170 0.000 0.000 0.293 487 I C 0.124 175.996 176.117 -0.409 0.000 0.992 487 I CA -0.614 60.552 61.300 -0.222 0.000 1.268 487 I CB 0.984 38.874 38.000 -0.184 0.000 1.387 487 I HN 0.405 nan 8.210 nan 0.000 0.478 488 E N 8.118 127.960 120.200 -0.598 0.000 3.250 488 E HA -0.133 4.217 4.350 0.000 0.000 0.244 488 E C -1.550 174.367 176.600 -1.137 0.000 0.931 488 E CA -0.511 55.192 56.400 -1.163 0.000 0.954 488 E CB -0.013 28.668 29.700 -1.699 0.000 0.894 488 E HN 0.433 nan 8.360 nan 0.000 0.560 489 P HA -0.213 nan 4.420 nan 0.000 0.216 489 P C 1.310 177.988 177.300 -1.036 0.000 1.154 489 P CA 1.737 64.186 63.100 -1.085 0.000 0.865 489 P CB -0.310 30.366 31.700 -1.706 0.000 0.789 490 W N 0.956 121.640 121.300 -1.026 0.000 2.538 490 W HA 0.068 4.728 4.660 0.000 0.000 0.254 490 W C 1.686 178.196 176.519 -0.015 0.000 1.249 490 W CA 0.562 57.689 57.345 -0.363 0.000 1.253 490 W CB -1.324 28.154 29.460 0.030 0.000 1.130 490 W HN -0.064 nan 8.180 nan 0.000 0.618 491 K N 0.329 120.505 120.400 -0.373 0.000 2.128 491 K HA 0.038 4.358 4.320 0.000 0.000 0.202 491 K C 0.893 177.447 176.600 -0.076 0.000 1.050 491 K CA 1.469 57.657 56.287 -0.166 0.000 0.966 491 K CB -0.234 32.078 32.500 -0.314 0.000 0.759 491 K HN 0.117 nan 8.250 nan 0.000 0.454 492 T N -0.653 113.809 114.554 -0.152 0.000 3.377 492 T HA 0.208 4.558 4.350 0.000 0.000 0.270 492 T C -0.946 173.741 174.700 -0.022 0.000 1.586 492 T CA -0.716 61.337 62.100 -0.079 0.000 1.487 492 T CB -0.145 68.655 68.868 -0.112 0.000 0.994 492 T HN 0.083 nan 8.240 nan 0.000 0.689 493 H N 1.091 120.113 119.070 -0.079 0.000 2.744 493 H HA 0.569 5.125 4.556 0.000 0.000 0.339 493 H C -1.214 174.074 175.328 -0.067 0.000 1.004 493 H CA -1.241 54.739 56.048 -0.113 0.000 1.257 493 H CB 0.793 30.456 29.762 -0.166 0.000 1.552 493 H HN 0.310 nan 8.280 nan 0.000 0.522 494 I N 5.877 126.108 120.570 -0.566 0.000 2.294 494 I HA 0.096 4.266 4.170 0.000 0.000 0.295 494 I C -0.069 175.682 176.117 -0.610 0.000 1.098 494 I CA -0.055 61.026 61.300 -0.364 0.000 1.277 494 I CB -0.427 37.453 38.000 -0.200 0.000 1.434 494 I HN 0.501 nan 8.210 nan 0.000 0.498 495 W N 0.000 121.118 121.300 -0.303 0.000 2.388 495 W HA 0.000 4.660 4.660 0.000 0.000 0.303 495 W CA 0.000 57.278 57.345 -0.112 0.000 1.226 495 W CB 0.000 29.510 29.460 0.084 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535