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 1q57_1_B DATA FIRST_RESID 64 DATA SEQUENCE MTYNVWNFGE SNGRYSALTA RGISKETCQK AGYWIAKVDG VMYQVADYRD DATA SEQUENCE QNGNIVSQKV RDKDKNFKTT GSHKSDALFG KHLWNGGKKI VVTEGEIDML DATA SEQUENCE TVMELQDCKY PVVSLGHGAS AAKKTCAANY EYFDQFEQII LMFDMDEAGR DATA SEQUENCE KAVEEAAQVL PAGKVRVAVL PCKDANECHL NGHDREIMEQ VWNAGPWIPD DATA SEQUENCE GVVSALSLRE RIREHLSSEE SVGLLFSGCT GINDKTLGAR GGEVIMVTSG DATA SEQUENCE SGMVMSTFVR QQALQWGTAM GKKVGLAMLE ESVEETAEDL IGLHNRVRLR DATA SEQUENCE QSDSLKREII ENGKFDQWFD ELFGNDTFHL YDSFXXXETD RLLAKLAYMR DATA SEQUENCE SGLGCDVIIL DHISIVVSAS GESDERKMID NLMTKLKGFA KSTGVVLVVI DATA SEQUENCE CHLKNPDKGK AHEEGRPVSI TDLRGSGALR QLSDTIIALE RNQQGDMPNL DATA SEQUENCE VLVRILKCRF TGDTGIAGYM EYNKETGWLE PSSYSG 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 64 M HA 0.000 nan 4.480 nan 0.000 0.227 64 M C 0.000 176.276 176.300 -0.040 0.000 1.140 64 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 64 M CB 0.000 nan 32.600 nan 0.000 1.302 65 T N -0.773 113.780 114.554 -0.003 0.000 2.904 65 T HA 0.652 5.002 4.350 -0.000 0.000 0.290 65 T C -0.086 174.645 174.700 0.052 0.000 1.018 65 T CA -0.029 62.084 62.100 0.022 0.000 1.075 65 T CB 0.100 69.010 68.868 0.071 0.000 0.986 65 T HN 1.074 nan 8.240 nan 0.000 0.523 66 Y N 3.315 123.641 120.300 0.043 0.000 2.852 66 Y HA 0.002 4.552 4.550 -0.000 0.000 0.343 66 Y C 1.388 177.340 175.900 0.086 0.000 1.280 66 Y CA 0.027 58.164 58.100 0.061 0.000 1.604 66 Y CB -0.109 38.376 38.460 0.041 0.000 1.216 66 Y HN 0.646 nan 8.280 nan 0.000 0.541 67 N N 2.238 121.096 118.700 0.263 0.000 2.407 67 N HA 0.000 4.740 4.740 -0.000 0.000 0.250 67 N C -0.715 174.968 175.510 0.288 0.000 1.236 67 N CA -0.131 53.052 53.050 0.222 0.000 0.879 67 N CB 0.553 39.147 38.487 0.178 0.000 1.088 67 N HN 0.330 nan 8.380 nan 0.000 0.450 68 V N 0.756 120.807 119.914 0.229 0.000 2.599 68 V HA -0.023 4.097 4.120 -0.000 0.000 0.300 68 V C 0.319 176.638 176.094 0.374 0.000 1.034 68 V CA -0.620 61.836 62.300 0.259 0.000 1.115 68 V CB -0.225 31.714 31.823 0.193 0.000 0.934 68 V HN 0.463 nan 8.190 nan 0.000 0.485 69 W N 3.756 125.147 121.300 0.151 0.000 2.446 69 W HA 0.289 4.948 4.660 -0.000 0.000 0.316 69 W C 0.702 177.340 176.519 0.198 0.000 1.376 69 W CA -0.869 56.586 57.345 0.183 0.000 1.300 69 W CB -0.640 28.961 29.460 0.234 0.000 1.351 69 W HN 0.623 nan 8.180 nan 0.000 0.530 70 N N 3.285 122.110 118.700 0.207 0.000 2.470 70 N HA 0.045 4.784 4.740 -0.000 0.000 0.268 70 N C -0.569 174.943 175.510 0.004 0.000 1.136 70 N CA -0.675 52.424 53.050 0.082 0.000 0.961 70 N CB 0.428 38.930 38.487 0.026 0.000 1.067 70 N HN 0.152 nan 8.380 nan 0.000 0.468 71 F N 2.530 122.273 119.950 -0.344 0.000 2.541 71 F HA 0.272 4.799 4.527 -0.000 0.000 0.378 71 F C 1.395 177.022 175.800 -0.289 0.000 1.068 71 F CA 0.845 58.486 58.000 -0.599 0.000 1.199 71 F CB -0.180 38.323 39.000 -0.828 0.000 1.091 71 F HN 0.716 nan 8.300 nan 0.000 0.555 72 G N 4.544 113.355 108.800 0.017 0.000 2.850 72 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.207 72 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.207 72 G C 1.327 176.211 174.900 -0.028 0.000 1.302 72 G CA 0.164 45.306 45.100 0.071 0.000 0.832 72 G HN 0.522 nan 8.290 nan 0.000 0.543 73 E N 1.251 121.425 120.200 -0.043 0.000 2.048 73 E HA -0.106 4.244 4.350 -0.000 0.000 0.202 73 E C 1.458 177.968 176.600 -0.149 0.000 1.021 73 E CA 1.633 57.980 56.400 -0.089 0.000 0.825 73 E CB -0.290 29.354 29.700 -0.094 0.000 0.756 73 E HN 0.727 nan 8.360 nan 0.000 0.454 74 S N 0.806 116.401 115.700 -0.175 0.000 2.499 74 S HA 0.241 4.711 4.470 -0.000 0.000 0.279 74 S C -0.204 174.333 174.600 -0.104 0.000 1.219 74 S CA -0.707 57.364 58.200 -0.215 0.000 1.062 74 S CB 0.712 63.700 63.200 -0.353 0.000 0.978 74 S HN 0.095 nan 8.310 nan 0.000 0.489 75 N N 2.118 120.755 118.700 -0.104 0.000 2.814 75 N HA 0.213 4.953 4.740 -0.000 0.000 0.304 75 N C 0.512 175.958 175.510 -0.107 0.000 1.211 75 N CA -0.329 52.672 53.050 -0.082 0.000 1.158 75 N CB -0.022 38.433 38.487 -0.054 0.000 1.458 75 N HN 0.803 nan 8.380 nan 0.000 0.519 76 G N 1.291 109.920 108.800 -0.285 0.000 2.415 76 G HA2 0.413 4.373 3.960 -0.000 0.000 0.269 76 G HA3 0.413 4.373 3.960 -0.000 0.000 0.269 76 G C -0.132 174.544 174.900 -0.373 0.000 1.209 76 G CA -0.566 44.168 45.100 -0.610 0.000 0.835 76 G HN 0.440 nan 8.290 nan 0.000 0.534 77 R N 0.493 120.919 120.500 -0.123 0.000 2.651 77 R HA 0.225 4.565 4.340 -0.000 0.000 0.278 77 R C -1.732 174.678 176.300 0.184 0.000 1.010 77 R CA -0.877 55.291 56.100 0.113 0.000 0.896 77 R CB 1.867 32.225 30.300 0.096 0.000 1.211 77 R HN 0.483 nan 8.270 nan 0.000 0.456 78 Y N 1.706 122.214 120.300 0.347 0.000 2.714 78 Y HA 0.187 4.737 4.550 -0.000 0.000 0.333 78 Y C 0.511 176.528 175.900 0.194 0.000 1.220 78 Y CA -0.610 57.666 58.100 0.293 0.000 1.513 78 Y CB 0.444 39.064 38.460 0.266 0.000 1.435 78 Y HN 0.518 nan 8.280 nan 0.000 0.489 79 S N 1.106 116.987 115.700 0.302 0.000 2.608 79 S HA 0.862 5.332 4.470 -0.000 0.000 0.291 79 S C -0.000 174.714 174.600 0.190 0.000 1.146 79 S CA -0.930 57.389 58.200 0.199 0.000 1.043 79 S CB 1.685 64.963 63.200 0.130 0.000 1.037 79 S HN 0.605 nan 8.310 nan 0.000 0.520 80 A N 2.478 125.388 122.820 0.149 0.000 2.450 80 A HA 0.473 4.793 4.320 -0.000 0.000 0.255 80 A C 0.247 177.907 177.584 0.127 0.000 1.096 80 A CA -0.669 51.452 52.037 0.139 0.000 0.778 80 A CB -0.493 18.572 19.000 0.109 0.000 1.031 80 A HN 0.908 nan 8.150 nan 0.000 0.494 81 L N 3.741 125.052 121.223 0.146 0.000 2.462 81 L HA 0.121 4.461 4.340 -0.000 0.000 0.283 81 L C 1.723 178.645 176.870 0.087 0.000 1.166 81 L CA 0.088 55.005 54.840 0.127 0.000 0.964 81 L CB -0.401 41.760 42.059 0.169 0.000 1.294 81 L HN 0.990 nan 8.230 nan 0.000 0.449 82 T N -1.832 112.760 114.554 0.063 0.000 2.962 82 T HA -0.134 4.216 4.350 -0.000 0.000 0.270 82 T C 1.766 176.480 174.700 0.023 0.000 1.088 82 T CA 0.859 62.984 62.100 0.041 0.000 1.127 82 T CB 0.088 68.974 68.868 0.030 0.000 0.883 82 T HN 0.582 nan 8.240 nan 0.000 0.493 83 A N 1.451 124.286 122.820 0.025 0.000 2.119 83 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 83 A C 2.319 179.907 177.584 0.006 0.000 1.153 83 A CA 0.446 52.488 52.037 0.009 0.000 0.692 83 A CB -0.137 18.869 19.000 0.009 0.000 0.799 83 A HN 0.351 nan 8.150 nan 0.000 0.458 84 R N -1.858 118.658 120.500 0.028 0.000 2.509 84 R HA 0.202 4.542 4.340 -0.000 0.000 0.297 84 R C 0.970 177.311 176.300 0.069 0.000 0.951 84 R CA 0.598 56.721 56.100 0.039 0.000 1.103 84 R CB -0.250 30.085 30.300 0.057 0.000 1.283 84 R HN 0.714 nan 8.270 nan 0.000 0.534 85 G N 2.319 111.147 108.800 0.047 0.000 2.273 85 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.280 85 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.280 85 G C 0.004 175.061 174.900 0.261 0.000 1.047 85 G CA 0.069 45.224 45.100 0.092 0.000 0.869 85 G HN 0.147 nan 8.290 nan 0.000 0.502 86 I N 1.636 122.304 120.570 0.163 0.000 2.339 86 I HA 0.327 4.497 4.170 -0.000 0.000 0.290 86 I C 1.216 177.409 176.117 0.125 0.000 0.994 86 I CA -0.712 60.669 61.300 0.135 0.000 1.191 86 I CB 1.066 39.132 38.000 0.110 0.000 1.343 86 I HN 0.363 nan 8.210 nan 0.000 0.458 87 S N 5.500 121.267 115.700 0.111 0.000 2.589 87 S HA 0.135 4.605 4.470 -0.000 0.000 0.265 87 S C 1.160 175.826 174.600 0.111 0.000 1.342 87 S CA -0.483 57.778 58.200 0.100 0.000 1.005 87 S CB 1.503 64.752 63.200 0.082 0.000 0.909 87 S HN 0.733 nan 8.310 nan 0.000 0.555 88 K N 0.709 121.173 120.400 0.108 0.000 2.026 88 K HA -0.156 4.163 4.320 -0.000 0.000 0.208 88 K C 2.049 178.712 176.600 0.106 0.000 1.048 88 K CA 1.560 57.924 56.287 0.128 0.000 0.929 88 K CB -0.317 32.258 32.500 0.124 0.000 0.713 88 K HN 0.774 nan 8.250 nan 0.000 0.439 89 E N -0.210 120.033 120.200 0.072 0.000 2.160 89 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 89 E C 1.581 178.194 176.600 0.022 0.000 0.991 89 E CA 1.555 57.977 56.400 0.037 0.000 0.810 89 E CB 0.040 29.761 29.700 0.034 0.000 0.742 89 E HN 0.411 nan 8.360 nan 0.000 0.466 90 T N 0.056 114.642 114.554 0.053 0.000 2.639 90 T HA -0.172 4.178 4.350 -0.000 0.000 0.261 90 T C 1.995 176.742 174.700 0.078 0.000 1.053 90 T CA 1.360 63.496 62.100 0.060 0.000 1.158 90 T CB -0.496 68.415 68.868 0.072 0.000 0.863 90 T HN 0.331 nan 8.240 nan 0.000 0.413 91 C N 1.626 121.012 119.300 0.143 0.000 2.392 91 C HA -0.132 4.328 4.460 -0.000 0.000 0.276 91 C C 2.898 177.944 174.990 0.094 0.000 1.212 91 C CA 0.707 59.875 59.018 0.249 0.000 1.791 91 C CB -1.168 26.792 27.740 0.365 0.000 2.063 91 C HN 0.563 nan 8.230 nan 0.000 0.481 92 Q N 0.645 120.365 119.800 -0.133 0.000 2.135 92 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 92 Q C 2.305 178.071 176.000 -0.391 0.000 0.981 92 Q CA 1.557 57.002 55.803 -0.597 0.000 0.856 92 Q CB -0.105 28.405 28.738 -0.380 0.000 0.902 92 Q HN 0.718 nan 8.270 nan 0.000 0.425 93 K N -0.694 119.614 120.400 -0.153 0.000 2.076 93 K HA 0.020 4.340 4.320 -0.000 0.000 0.204 93 K C 1.944 178.497 176.600 -0.079 0.000 1.051 93 K CA 1.006 57.226 56.287 -0.111 0.000 0.949 93 K CB -0.073 32.380 32.500 -0.078 0.000 0.726 93 K HN 0.061 nan 8.250 nan 0.000 0.443 94 A N 1.047 123.863 122.820 -0.006 0.000 2.119 94 A HA 0.162 4.481 4.320 -0.000 0.000 0.216 94 A C 1.232 178.946 177.584 0.216 0.000 1.152 94 A CA 0.967 52.992 52.037 -0.020 0.000 0.708 94 A CB -0.324 18.683 19.000 0.011 0.000 0.805 94 A HN 0.450 nan 8.150 nan 0.000 0.460 95 G N -2.094 106.897 108.800 0.318 0.000 2.414 95 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.256 95 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.256 95 G C -0.362 175.004 174.900 0.777 0.000 1.128 95 G CA 0.102 45.522 45.100 0.533 0.000 0.944 95 G HN 0.657 nan 8.290 nan 0.000 0.500 96 Y N 2.548 123.165 120.300 0.528 0.000 2.721 96 Y HA 0.572 5.122 4.550 -0.000 0.000 0.328 96 Y C 0.511 176.731 175.900 0.533 0.000 1.003 96 Y CA -1.985 56.357 58.100 0.403 0.000 1.275 96 Y CB 0.101 38.711 38.460 0.251 0.000 1.097 96 Y HN 0.431 nan 8.280 nan 0.000 0.514 97 W N 5.551 126.951 121.300 0.166 0.000 2.576 97 W HA 0.704 5.364 4.660 -0.001 0.000 0.360 97 W C -1.802 174.616 176.519 -0.169 0.000 1.109 97 W CA -1.822 55.584 57.345 0.102 0.000 1.237 97 W CB 0.624 30.090 29.460 0.011 0.000 1.369 97 W HN 0.233 nan 8.180 nan 0.000 0.609 98 I N 2.557 123.092 120.570 -0.057 0.000 2.388 98 I HA 0.420 4.590 4.170 -0.000 0.000 0.281 98 I C 0.646 176.671 176.117 -0.154 0.000 1.046 98 I CA -0.430 60.748 61.300 -0.202 0.000 1.187 98 I CB 0.621 38.576 38.000 -0.074 0.000 1.351 98 I HN 0.534 nan 8.210 nan 0.000 0.472 99 A N 6.485 129.122 122.820 -0.304 0.000 2.257 99 A HA 0.914 5.234 4.320 -0.000 0.000 0.290 99 A C -0.094 177.480 177.584 -0.017 0.000 1.201 99 A CA -0.497 51.472 52.037 -0.114 0.000 0.863 99 A CB 0.699 19.619 19.000 -0.134 0.000 1.256 99 A HN 0.611 nan 8.150 nan 0.000 0.506 100 K N 0.124 120.515 120.400 -0.015 0.000 2.729 100 K HA 0.465 4.785 4.320 -0.000 0.000 0.269 100 K C -1.883 174.684 176.600 -0.055 0.000 1.065 100 K CA -0.394 55.916 56.287 0.039 0.000 1.000 100 K CB 0.724 33.240 32.500 0.027 0.000 1.283 100 K HN 0.260 nan 8.250 nan 0.000 0.491 101 V N 1.643 121.491 119.914 -0.109 0.000 2.483 101 V HA 0.171 4.291 4.120 -0.000 0.000 0.295 101 V C 0.366 176.411 176.094 -0.082 0.000 1.035 101 V CA -0.199 61.957 62.300 -0.241 0.000 0.896 101 V CB 1.029 32.496 31.823 -0.592 0.000 0.986 101 V HN 0.918 nan 8.190 nan 0.000 0.447 102 D N 3.120 123.472 120.400 -0.080 0.000 3.070 102 D HA -0.196 4.444 4.640 -0.000 0.000 0.220 102 D C 1.123 177.434 176.300 0.018 0.000 1.176 102 D CA 2.061 56.044 54.000 -0.027 0.000 0.924 102 D CB -0.954 39.834 40.800 -0.020 0.000 1.124 102 D HN 1.278 nan 8.370 nan 0.000 0.411 103 G N -2.713 106.105 108.800 0.030 0.000 3.180 103 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.197 103 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.197 103 G C 0.150 175.084 174.900 0.056 0.000 1.149 103 G CA -0.198 44.923 45.100 0.035 0.000 0.847 103 G HN 0.470 nan 8.290 nan 0.000 0.469 104 V N 3.035 123.025 119.914 0.126 0.000 2.785 104 V HA 0.670 4.790 4.120 -0.000 0.000 0.300 104 V C 0.658 176.844 176.094 0.153 0.000 1.062 104 V CA 0.038 62.386 62.300 0.079 0.000 1.029 104 V CB 1.680 33.495 31.823 -0.014 0.000 1.024 104 V HN 0.570 nan 8.190 nan 0.000 0.477 105 M N 5.327 124.912 119.600 -0.026 0.000 2.061 105 M HA 0.456 4.936 4.480 -0.000 0.000 0.346 105 M C -1.902 174.348 176.300 -0.083 0.000 1.112 105 M CA -0.262 55.048 55.300 0.017 0.000 1.021 105 M CB 0.421 32.999 32.600 -0.037 0.000 1.530 105 M HN 0.585 nan 8.290 nan 0.000 0.437 106 Y N 2.371 122.603 120.300 -0.112 0.000 2.387 106 Y HA 0.384 4.934 4.550 -0.000 0.000 0.330 106 Y C -0.022 175.671 175.900 -0.345 0.000 1.133 106 Y CA -0.545 57.439 58.100 -0.194 0.000 1.152 106 Y CB 1.247 39.637 38.460 -0.116 0.000 1.215 106 Y HN 0.581 nan 8.280 nan 0.000 0.466 107 Q N 1.855 121.479 119.800 -0.294 0.000 2.331 107 Q HA 0.526 4.866 4.340 -0.000 0.000 0.257 107 Q C -1.467 174.139 176.000 -0.656 0.000 0.957 107 Q CA -0.543 54.952 55.803 -0.514 0.000 0.923 107 Q CB 0.794 29.275 28.738 -0.428 0.000 1.212 107 Q HN 0.536 nan 8.270 nan 0.000 0.443 108 V N 2.177 121.534 119.914 -0.929 0.000 2.370 108 V HA 0.675 4.795 4.120 -0.000 0.000 0.283 108 V C -0.194 175.567 176.094 -0.555 0.000 1.023 108 V CA -0.988 60.781 62.300 -0.885 0.000 0.857 108 V CB 1.230 32.187 31.823 -1.443 0.000 0.985 108 V HN 0.788 nan 8.190 nan 0.000 0.443 109 A N 3.035 125.748 122.820 -0.178 0.000 2.260 109 A HA 0.630 4.949 4.320 -0.000 0.000 0.308 109 A C -0.412 177.327 177.584 0.259 0.000 1.254 109 A CA -0.454 51.619 52.037 0.060 0.000 0.874 109 A CB 0.311 19.236 19.000 -0.125 0.000 1.153 109 A HN 0.764 nan 8.150 nan 0.000 0.527 110 D N 2.025 122.697 120.400 0.452 0.000 2.428 110 D HA 0.330 4.970 4.640 -0.000 0.000 0.221 110 D C -1.123 175.440 176.300 0.437 0.000 1.123 110 D CA 0.561 54.852 54.000 0.486 0.000 0.869 110 D CB 0.277 41.377 40.800 0.499 0.000 1.032 110 D HN 0.414 nan 8.370 nan 0.000 0.506 111 Y N 2.744 123.250 120.300 0.344 0.000 2.404 111 Y HA 0.248 4.798 4.550 -0.000 0.000 0.344 111 Y C 1.041 177.041 175.900 0.167 0.000 0.995 111 Y CA -0.407 57.885 58.100 0.320 0.000 1.201 111 Y CB 0.626 39.281 38.460 0.325 0.000 1.151 111 Y HN 0.047 nan 8.280 nan 0.000 0.517 112 R N 1.438 122.043 120.500 0.175 0.000 2.778 112 R HA 0.450 4.790 4.340 -0.000 0.000 0.277 112 R C -0.911 175.427 176.300 0.064 0.000 0.977 112 R CA -1.210 54.905 56.100 0.025 0.000 0.950 112 R CB 1.221 31.356 30.300 -0.275 0.000 1.165 112 R HN 0.517 nan 8.270 nan 0.000 0.474 113 D N 0.905 121.330 120.400 0.042 0.000 2.384 113 D HA -0.056 4.584 4.640 -0.000 0.000 0.244 113 D C 0.591 176.915 176.300 0.041 0.000 1.251 113 D CA -0.421 53.598 54.000 0.032 0.000 0.961 113 D CB 0.495 41.311 40.800 0.027 0.000 1.116 113 D HN 0.539 nan 8.370 nan 0.000 0.484 114 Q N -0.894 118.924 119.800 0.030 0.000 2.368 114 Q HA -0.142 4.197 4.340 -0.000 0.000 0.210 114 Q C 1.249 177.286 176.000 0.062 0.000 0.982 114 Q CA 0.639 56.480 55.803 0.065 0.000 0.884 114 Q CB -0.227 28.560 28.738 0.082 0.000 0.933 114 Q HN 0.503 nan 8.270 nan 0.000 0.460 115 N N -0.998 117.726 118.700 0.040 0.000 2.463 115 N HA -0.061 4.679 4.740 -0.000 0.000 0.181 115 N C 1.019 176.536 175.510 0.012 0.000 1.078 115 N CA 0.868 53.933 53.050 0.026 0.000 0.902 115 N CB 0.619 39.118 38.487 0.020 0.000 0.970 115 N HN 0.398 nan 8.380 nan 0.000 0.451 116 G N 0.583 109.383 108.800 -0.000 0.000 2.284 116 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 116 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 116 G C -0.170 174.669 174.900 -0.102 0.000 1.009 116 G CA -0.367 44.700 45.100 -0.055 0.000 0.625 116 G HN 0.388 nan 8.290 nan 0.000 0.501 117 N N 1.782 120.455 118.700 -0.046 0.000 2.513 117 N HA 0.304 5.044 4.740 -0.000 0.000 0.268 117 N C 0.464 175.964 175.510 -0.017 0.000 1.180 117 N CA 0.092 53.126 53.050 -0.027 0.000 0.948 117 N CB 1.175 39.663 38.487 0.001 0.000 1.083 117 N HN 0.351 nan 8.380 nan 0.000 0.455 118 I N 2.098 122.670 120.570 0.004 0.000 2.494 118 I HA -0.074 4.096 4.170 -0.000 0.000 0.289 118 I C 1.317 177.492 176.117 0.095 0.000 1.106 118 I CA -0.208 61.127 61.300 0.060 0.000 1.369 118 I CB 0.432 38.487 38.000 0.091 0.000 1.410 118 I HN 0.356 nan 8.210 nan 0.000 0.523 119 V N 3.781 123.769 119.914 0.123 0.000 3.307 119 V HA 0.055 4.175 4.120 -0.000 0.000 0.253 119 V C 0.715 176.899 176.094 0.151 0.000 1.149 119 V CA 0.487 62.860 62.300 0.122 0.000 1.112 119 V CB -0.467 31.421 31.823 0.108 0.000 0.777 119 V HN 0.896 nan 8.190 nan 0.000 0.464 120 S N -1.067 114.754 115.700 0.202 0.000 2.595 120 S HA 0.685 5.155 4.470 -0.000 0.000 0.270 120 S C -1.349 173.374 174.600 0.205 0.000 1.145 120 S CA -0.806 57.503 58.200 0.181 0.000 0.825 120 S CB 2.549 65.879 63.200 0.216 0.000 1.107 120 S HN 0.152 nan 8.310 nan 0.000 0.461 121 Q N 0.108 119.940 119.800 0.054 0.000 2.375 121 Q HA 0.560 4.899 4.340 -0.000 0.000 0.271 121 Q C -1.558 174.333 176.000 -0.183 0.000 1.074 121 Q CA -0.508 55.312 55.803 0.029 0.000 0.808 121 Q CB 2.247 30.963 28.738 -0.037 0.000 1.327 121 Q HN 0.594 nan 8.270 nan 0.000 0.441 122 K N 2.157 122.503 120.400 -0.090 0.000 2.367 122 K HA 0.458 4.777 4.320 -0.000 0.000 0.263 122 K C -1.302 175.197 176.600 -0.169 0.000 1.000 122 K CA -0.406 55.794 56.287 -0.146 0.000 0.891 122 K CB 1.281 33.764 32.500 -0.029 0.000 1.117 122 K HN 0.374 nan 8.250 nan 0.000 0.443 123 V N 3.402 123.131 119.914 -0.308 0.000 2.547 123 V HA 0.487 4.607 4.120 -0.000 0.000 0.299 123 V C -0.168 175.695 176.094 -0.385 0.000 1.040 123 V CA -0.964 61.061 62.300 -0.457 0.000 0.913 123 V CB 1.489 32.811 31.823 -0.835 0.000 0.992 123 V HN 0.738 nan 8.190 nan 0.000 0.449 124 R N 1.955 122.206 120.500 -0.415 0.000 2.740 124 R HA 0.758 5.098 4.340 -0.000 0.000 0.282 124 R C -1.167 174.888 176.300 -0.409 0.000 0.969 124 R CA -0.616 55.151 56.100 -0.555 0.000 0.918 124 R CB 1.587 31.534 30.300 -0.589 0.000 1.175 124 R HN 0.784 nan 8.270 nan 0.000 0.464 125 D N 1.653 121.768 120.400 -0.475 0.000 2.350 125 D HA 0.218 4.858 4.640 -0.000 0.000 0.238 125 D C 0.405 176.478 176.300 -0.377 0.000 0.989 125 D CA -0.885 52.782 54.000 -0.556 0.000 0.921 125 D CB 1.302 41.643 40.800 -0.764 0.000 1.297 125 D HN 0.733 nan 8.370 nan 0.000 0.490 126 K N 2.016 122.221 120.400 -0.325 0.000 2.044 126 K HA -0.346 3.973 4.320 -0.000 0.000 0.224 126 K C 0.589 177.085 176.600 -0.173 0.000 1.056 126 K CA 2.413 58.572 56.287 -0.214 0.000 0.962 126 K CB -1.419 30.974 32.500 -0.177 0.000 0.730 126 K HN 0.509 nan 8.250 nan 0.000 0.453 127 D N 1.043 121.348 120.400 -0.159 0.000 2.389 127 D HA -0.041 4.599 4.640 -0.000 0.000 0.221 127 D C 0.149 176.393 176.300 -0.093 0.000 0.974 127 D CA 0.977 54.912 54.000 -0.108 0.000 0.923 127 D CB -0.008 40.739 40.800 -0.088 0.000 0.892 127 D HN 0.444 nan 8.370 nan 0.000 0.518 128 K N -1.884 118.434 120.400 -0.137 0.000 3.262 128 K HA -0.094 4.226 4.320 -0.000 0.000 0.262 128 K C -0.457 176.100 176.600 -0.071 0.000 1.374 128 K CA -0.098 56.127 56.287 -0.104 0.000 0.822 128 K CB -1.121 31.363 32.500 -0.026 0.000 1.811 128 K HN 0.082 nan 8.250 nan 0.000 0.517 129 N N -0.238 118.376 118.700 -0.142 0.000 2.405 129 N HA 0.621 5.361 4.740 -0.000 0.000 0.269 129 N C -0.274 175.104 175.510 -0.219 0.000 1.249 129 N CA 0.223 53.240 53.050 -0.056 0.000 0.974 129 N CB 0.420 38.871 38.487 -0.059 0.000 1.204 129 N HN -0.016 nan 8.380 nan 0.000 0.565 130 F N -0.372 119.524 119.950 -0.089 0.000 2.790 130 F HA 0.532 5.058 4.527 -0.000 0.000 0.337 130 F C -0.525 175.179 175.800 -0.160 0.000 1.163 130 F CA -0.576 57.346 58.000 -0.130 0.000 0.997 130 F CB 1.404 40.318 39.000 -0.144 0.000 1.437 130 F HN 0.120 nan 8.300 nan 0.000 0.512 131 K N 0.295 120.683 120.400 -0.020 0.000 2.575 131 K HA 0.292 4.612 4.320 -0.000 0.000 0.271 131 K C -1.429 174.949 176.600 -0.371 0.000 1.013 131 K CA -0.362 55.766 56.287 -0.264 0.000 0.939 131 K CB 1.801 34.092 32.500 -0.349 0.000 1.328 131 K HN 0.569 nan 8.250 nan 0.000 0.450 132 T N 1.530 115.858 114.554 -0.377 0.000 2.770 132 T HA 0.364 4.714 4.350 -0.000 0.000 0.297 132 T C -0.023 174.486 174.700 -0.318 0.000 0.997 132 T CA -0.281 61.603 62.100 -0.360 0.000 0.949 132 T CB 0.514 69.179 68.868 -0.338 0.000 0.941 132 T HN 0.544 nan 8.240 nan 0.000 0.457 133 T N 2.781 117.160 114.554 -0.291 0.000 2.902 133 T HA 0.690 5.040 4.350 -0.000 0.000 0.280 133 T C 1.062 175.769 174.700 0.012 0.000 0.992 133 T CA 0.625 62.658 62.100 -0.111 0.000 1.015 133 T CB 0.640 69.432 68.868 -0.127 0.000 1.044 133 T HN 1.622 nan 8.240 nan 0.000 0.520 134 G N 1.662 110.526 108.800 0.106 0.000 2.562 134 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.250 134 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.250 134 G C -0.163 174.803 174.900 0.110 0.000 1.269 134 G CA -0.123 45.047 45.100 0.115 0.000 0.919 134 G HN 1.426 nan 8.290 nan 0.000 0.574 135 S N -0.025 115.742 115.700 0.112 0.000 2.622 135 S HA 0.447 4.917 4.470 -0.000 0.000 0.283 135 S C -0.415 174.271 174.600 0.143 0.000 1.197 135 S CA -0.354 57.914 58.200 0.113 0.000 1.146 135 S CB 1.168 64.419 63.200 0.086 0.000 1.007 135 S HN 0.777 nan 8.310 nan 0.000 0.478 136 H N 3.665 122.742 119.070 0.011 0.000 3.216 136 H HA 0.205 4.761 4.556 -0.000 0.000 0.263 136 H C 0.579 175.961 175.328 0.090 0.000 1.601 136 H CA 0.101 56.139 56.048 -0.017 0.000 1.509 136 H CB -0.259 29.447 29.762 -0.093 0.000 1.759 136 H HN 0.372 nan 8.280 nan 0.000 0.533 137 K N 1.215 121.618 120.400 0.004 0.000 2.286 137 K HA -0.008 4.312 4.320 -0.000 0.000 0.256 137 K C 1.143 177.732 176.600 -0.019 0.000 0.999 137 K CA 0.208 56.495 56.287 0.000 0.000 0.908 137 K CB 0.739 33.242 32.500 0.004 0.000 0.981 137 K HN 0.502 nan 8.250 nan 0.000 0.500 138 S N 1.163 116.830 115.700 -0.055 0.000 2.584 138 S HA -0.113 4.356 4.470 -0.000 0.000 0.240 138 S C 0.815 175.387 174.600 -0.047 0.000 0.975 138 S CA 1.135 59.258 58.200 -0.129 0.000 0.949 138 S CB -0.250 62.883 63.200 -0.112 0.000 0.761 138 S HN 0.657 nan 8.310 nan 0.000 0.536 139 D N 0.692 121.088 120.400 -0.008 0.000 2.501 139 D HA 0.257 4.897 4.640 -0.000 0.000 0.224 139 D C 0.196 176.498 176.300 0.003 0.000 1.202 139 D CA -0.357 53.650 54.000 0.012 0.000 0.829 139 D CB -0.139 40.663 40.800 0.003 0.000 1.023 139 D HN 0.170 nan 8.370 nan 0.000 0.499 140 A N 1.044 123.853 122.820 -0.020 0.000 2.524 140 A HA 0.417 4.737 4.320 -0.000 0.000 0.250 140 A C -0.122 177.541 177.584 0.132 0.000 1.078 140 A CA 0.043 52.053 52.037 -0.045 0.000 0.761 140 A CB 0.205 18.873 19.000 -0.552 0.000 1.012 140 A HN 0.443 nan 8.150 nan 0.000 0.500 141 L N 3.167 124.519 121.223 0.215 0.000 2.406 141 L HA 0.326 4.666 4.340 -0.000 0.000 0.272 141 L C -0.900 176.137 176.870 0.278 0.000 0.980 141 L CA -0.528 54.456 54.840 0.240 0.000 0.831 141 L CB 1.701 43.772 42.059 0.019 0.000 1.253 141 L HN 0.845 nan 8.230 nan 0.000 0.406 142 F N 3.572 123.578 119.950 0.094 0.000 2.471 142 F HA 0.536 5.063 4.527 -0.000 0.000 0.365 142 F C 0.991 176.758 175.800 -0.056 0.000 1.095 142 F CA 0.660 58.453 58.000 -0.344 0.000 1.174 142 F CB 0.749 39.310 39.000 -0.731 0.000 1.105 142 F HN 0.721 nan 8.300 nan 0.000 0.535 143 G N 5.111 113.512 108.800 -0.665 0.000 2.218 143 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.216 143 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.216 143 G C 1.381 176.107 174.900 -0.290 0.000 0.994 143 G CA 0.241 45.003 45.100 -0.562 0.000 0.637 143 G HN 0.797 nan 8.290 nan 0.000 0.505 144 K N 0.987 121.327 120.400 -0.099 0.000 2.089 144 K HA -0.263 4.057 4.320 -0.000 0.000 0.210 144 K C 2.137 178.686 176.600 -0.085 0.000 1.048 144 K CA 2.378 58.614 56.287 -0.084 0.000 0.926 144 K CB -0.459 31.854 32.500 -0.313 0.000 0.714 144 K HN 0.821 nan 8.250 nan 0.000 0.448 145 H N -0.535 118.428 119.070 -0.178 0.000 2.521 145 H HA 0.013 4.569 4.556 -0.000 0.000 0.286 145 H C 1.806 176.974 175.328 -0.267 0.000 1.034 145 H CA 1.068 57.023 56.048 -0.155 0.000 1.278 145 H CB -0.227 29.459 29.762 -0.127 0.000 1.386 145 H HN 0.183 nan 8.280 nan 0.000 0.567 146 L N -0.922 119.637 121.223 -1.106 0.000 2.109 146 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 146 L C 0.104 176.406 176.870 -0.946 0.000 1.086 146 L CA 0.393 54.412 54.840 -1.369 0.000 0.760 146 L CB -0.205 40.527 42.059 -2.212 0.000 0.910 146 L HN 0.337 nan 8.230 nan 0.000 0.437 147 W N -0.511 120.833 121.300 0.073 0.000 2.538 147 W HA 0.421 5.081 4.660 -0.000 0.000 0.322 147 W C -0.519 176.142 176.519 0.236 0.000 1.028 147 W CA -0.645 56.821 57.345 0.202 0.000 1.228 147 W CB 0.367 30.043 29.460 0.361 0.000 1.356 147 W HN -0.238 nan 8.180 nan 0.000 0.452 148 N N 2.653 121.498 118.700 0.242 0.000 2.776 148 N HA 0.592 5.331 4.740 -0.000 0.000 0.245 148 N C -0.084 175.338 175.510 -0.146 0.000 1.121 148 N CA 0.278 53.352 53.050 0.039 0.000 0.852 148 N CB 1.027 39.542 38.487 0.047 0.000 1.142 148 N HN 0.842 nan 8.380 nan 0.000 0.514 149 G N 0.188 108.666 108.800 -0.536 0.000 2.541 149 G HA2 0.424 4.384 3.960 -0.000 0.000 0.686 149 G HA3 0.424 4.384 3.960 -0.000 0.000 0.686 149 G C -0.301 174.389 174.900 -0.349 0.000 1.286 149 G CA -0.506 44.210 45.100 -0.640 0.000 0.894 149 G HN 0.848 nan 8.290 nan 0.000 0.575 150 G N -1.144 107.575 108.800 -0.135 0.000 2.361 150 G HA2 0.514 4.473 3.960 -0.000 0.000 0.305 150 G HA3 0.514 4.473 3.960 -0.000 0.000 0.305 150 G C 0.216 175.251 174.900 0.225 0.000 1.367 150 G CA 0.444 45.679 45.100 0.226 0.000 0.951 150 G HN 0.889 nan 8.290 nan 0.000 0.615 151 K N -0.469 120.037 120.400 0.176 0.000 2.361 151 K HA 0.150 4.470 4.320 -0.000 0.000 0.196 151 K C 0.505 177.152 176.600 0.078 0.000 1.039 151 K CA 0.790 57.136 56.287 0.099 0.000 1.001 151 K CB 0.080 32.609 32.500 0.049 0.000 0.795 151 K HN 0.407 nan 8.250 nan 0.000 0.495 152 K N 0.776 121.222 120.400 0.077 0.000 2.584 152 K HA 0.195 4.514 4.320 -0.000 0.000 0.260 152 K C -2.107 174.331 176.600 -0.270 0.000 0.949 152 K CA -0.332 55.909 56.287 -0.077 0.000 0.888 152 K CB 1.329 33.770 32.500 -0.098 0.000 1.330 152 K HN -0.029 nan 8.250 nan 0.000 0.432 153 I N 5.123 125.416 120.570 -0.462 0.000 2.439 153 I HA 0.296 4.466 4.170 -0.000 0.000 0.285 153 I C -0.723 175.142 176.117 -0.420 0.000 1.021 153 I CA -0.887 60.004 61.300 -0.682 0.000 1.091 153 I CB 1.545 38.723 38.000 -1.369 0.000 1.242 153 I HN 0.323 nan 8.210 nan 0.000 0.439 154 V N 7.728 127.444 119.914 -0.330 0.000 2.715 154 V HA 0.187 4.307 4.120 -0.000 0.000 0.299 154 V C 0.066 176.084 176.094 -0.127 0.000 1.054 154 V CA -0.199 61.975 62.300 -0.209 0.000 1.077 154 V CB 1.437 33.161 31.823 -0.165 0.000 0.972 154 V HN 0.481 nan 8.190 nan 0.000 0.484 155 V N 4.485 124.368 119.914 -0.051 0.000 2.409 155 V HA 0.428 4.548 4.120 -0.000 0.000 0.290 155 V C 0.232 176.473 176.094 0.244 0.000 1.017 155 V CA -0.367 61.995 62.300 0.103 0.000 0.841 155 V CB 2.094 33.960 31.823 0.072 0.000 1.003 155 V HN 1.081 nan 8.190 nan 0.000 0.426 156 T N 0.262 114.931 114.554 0.192 0.000 2.943 156 T HA 0.425 4.775 4.350 -0.000 0.000 0.284 156 T C 0.956 175.682 174.700 0.044 0.000 1.015 156 T CA -0.215 61.986 62.100 0.168 0.000 1.042 156 T CB 2.086 71.016 68.868 0.103 0.000 1.055 156 T HN 0.660 nan 8.240 nan 0.000 0.500 157 E N 1.822 121.980 120.200 -0.069 0.000 2.038 157 E HA 0.065 4.415 4.350 -0.000 0.000 0.195 157 E C 0.977 177.531 176.600 -0.076 0.000 1.000 157 E CA 1.410 57.672 56.400 -0.230 0.000 0.803 157 E CB -0.622 28.970 29.700 -0.180 0.000 0.750 157 E HN 0.879 nan 8.360 nan 0.000 0.448 158 G N -1.334 107.463 108.800 -0.005 0.000 2.685 158 G HA2 0.243 4.203 3.960 -0.000 0.000 0.298 158 G HA3 0.243 4.203 3.960 -0.000 0.000 0.298 158 G C -0.338 174.587 174.900 0.042 0.000 1.277 158 G CA -0.271 44.844 45.100 0.026 0.000 0.986 158 G HN 0.122 nan 8.290 nan 0.000 0.487 159 E N -0.463 119.724 120.200 -0.022 0.000 2.077 159 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 159 E C 2.389 178.891 176.600 -0.164 0.000 0.989 159 E CA 0.809 57.111 56.400 -0.163 0.000 0.800 159 E CB 0.021 29.384 29.700 -0.560 0.000 0.746 159 E HN 0.389 nan 8.360 nan 0.000 0.452 160 I N 1.572 122.029 120.570 -0.189 0.000 2.226 160 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 160 I C 1.611 177.691 176.117 -0.062 0.000 1.100 160 I CA 1.418 62.608 61.300 -0.184 0.000 1.374 160 I CB -0.693 37.240 38.000 -0.112 0.000 1.057 160 I HN 0.178 nan 8.210 nan 0.000 0.413 161 D N 0.333 120.726 120.400 -0.012 0.000 2.178 161 D HA -0.180 4.460 4.640 -0.000 0.000 0.202 161 D C 2.168 178.489 176.300 0.034 0.000 0.974 161 D CA 0.861 54.871 54.000 0.018 0.000 0.841 161 D CB -0.012 40.807 40.800 0.031 0.000 0.953 161 D HN 0.218 nan 8.370 nan 0.000 0.478 162 M N 0.987 120.633 119.600 0.077 0.000 2.065 162 M HA -0.158 4.322 4.480 -0.000 0.000 0.259 162 M C 2.110 178.463 176.300 0.089 0.000 1.069 162 M CA 1.079 56.449 55.300 0.117 0.000 1.110 162 M CB -0.629 32.119 32.600 0.248 0.000 1.328 162 M HN -0.002 nan 8.290 nan 0.000 0.405 163 L N -0.245 121.028 121.223 0.082 0.000 2.137 163 L HA -0.263 4.077 4.340 -0.000 0.000 0.213 163 L C 2.231 179.107 176.870 0.010 0.000 1.085 163 L CA 1.989 56.855 54.840 0.045 0.000 0.760 163 L CB -1.659 40.379 42.059 -0.035 0.000 0.893 163 L HN 0.397 nan 8.230 nan 0.000 0.434 164 T N -0.442 114.104 114.554 -0.012 0.000 2.668 164 T HA -0.132 4.218 4.350 -0.000 0.000 0.262 164 T C 2.055 176.691 174.700 -0.105 0.000 1.045 164 T CA 1.191 63.248 62.100 -0.071 0.000 1.152 164 T CB -0.298 68.546 68.868 -0.040 0.000 0.864 164 T HN 0.063 nan 8.240 nan 0.000 0.419 165 V N 1.834 121.712 119.914 -0.061 0.000 2.490 165 V HA -0.113 4.007 4.120 -0.000 0.000 0.250 165 V C 2.392 178.464 176.094 -0.037 0.000 1.061 165 V CA 1.299 63.558 62.300 -0.068 0.000 1.064 165 V CB -0.598 31.188 31.823 -0.062 0.000 0.670 165 V HN 0.508 nan 8.190 nan 0.000 0.461 166 M N -1.077 118.524 119.600 0.001 0.000 2.700 166 M HA -0.075 4.404 4.480 -0.000 0.000 0.249 166 M C 1.762 178.079 176.300 0.029 0.000 1.082 166 M CA 1.177 56.505 55.300 0.047 0.000 1.077 166 M CB -0.236 32.417 32.600 0.088 0.000 1.477 166 M HN 0.457 nan 8.290 nan 0.000 0.529 167 E N 0.123 120.308 120.200 -0.025 0.000 2.175 167 E HA 0.109 4.458 4.350 -0.000 0.000 0.193 167 E C 1.882 178.455 176.600 -0.044 0.000 0.962 167 E CA 0.197 56.572 56.400 -0.042 0.000 0.981 167 E CB -0.168 29.461 29.700 -0.118 0.000 1.093 167 E HN 0.364 nan 8.360 nan 0.000 0.483 168 L N 1.322 122.468 121.223 -0.128 0.000 2.302 168 L HA -0.246 4.094 4.340 -0.000 0.000 0.218 168 L C 1.949 178.820 176.870 0.001 0.000 1.100 168 L CA 1.351 56.135 54.840 -0.093 0.000 0.774 168 L CB -0.468 41.505 42.059 -0.144 0.000 0.896 168 L HN 0.151 nan 8.230 nan 0.000 0.439 169 Q N -1.068 118.752 119.800 0.034 0.000 2.247 169 Q HA 0.015 4.355 4.340 -0.000 0.000 0.211 169 Q C -0.168 175.909 176.000 0.128 0.000 0.861 169 Q CA -0.071 55.807 55.803 0.125 0.000 0.949 169 Q CB 0.546 29.389 28.738 0.176 0.000 1.115 169 Q HN 0.240 nan 8.270 nan 0.000 0.507 170 D N -0.532 119.913 120.400 0.074 0.000 2.800 170 D HA -0.190 4.450 4.640 -0.000 0.000 0.232 170 D C -0.499 175.834 176.300 0.054 0.000 1.137 170 D CA 0.555 54.591 54.000 0.060 0.000 0.718 170 D CB -1.670 39.169 40.800 0.064 0.000 1.084 170 D HN 0.497 nan 8.370 nan 0.000 0.432 171 C N -1.329 118.014 119.300 0.071 0.000 4.092 171 C HA -0.259 4.201 4.460 -0.000 0.000 0.297 171 C C 1.709 176.753 174.990 0.090 0.000 1.475 171 C CA 1.192 60.273 59.018 0.105 0.000 2.043 171 C CB -2.109 25.682 27.740 0.086 0.000 1.289 171 C HN 0.590 nan 8.230 nan 0.000 0.755 172 K N -1.709 118.678 120.400 -0.021 0.000 2.374 172 K HA 0.245 4.565 4.320 -0.000 0.000 0.196 172 K C 0.148 176.304 176.600 -0.740 0.000 1.023 172 K CA 0.655 56.749 56.287 -0.323 0.000 1.103 172 K CB 0.415 32.645 32.500 -0.450 0.000 0.848 172 K HN 0.682 nan 8.250 nan 0.000 0.528 173 Y N -0.368 119.890 120.300 -0.070 0.000 2.705 173 Y HA 0.358 4.908 4.550 -0.000 0.000 0.332 173 Y C -2.593 172.754 175.900 -0.923 0.000 1.157 173 Y CA -2.897 55.022 58.100 -0.302 0.000 1.091 173 Y CB 1.227 39.574 38.460 -0.189 0.000 1.301 173 Y HN -0.229 nan 8.280 nan 0.000 0.488 174 P HA 0.461 nan 4.420 nan 0.000 0.298 174 P C -1.664 174.948 177.300 -1.147 0.000 1.314 174 P CA -0.522 61.317 63.100 -2.101 0.000 0.854 174 P CB 1.513 32.214 31.700 -1.666 0.000 1.019 175 V N 2.130 121.545 119.914 -0.831 0.000 2.733 175 V HA 0.753 4.872 4.120 -0.000 0.000 0.306 175 V C 0.017 176.208 176.094 0.163 0.000 1.084 175 V CA -1.031 61.155 62.300 -0.191 0.000 0.905 175 V CB 1.769 33.559 31.823 -0.056 0.000 1.010 175 V HN 0.469 nan 8.190 nan 0.000 0.424 176 V N 0.386 120.399 119.914 0.164 0.000 3.102 176 V HA 1.024 5.144 4.120 -0.000 0.000 0.312 176 V C -0.184 176.047 176.094 0.230 0.000 1.135 176 V CA -0.300 62.139 62.300 0.232 0.000 1.022 176 V CB 2.000 34.024 31.823 0.335 0.000 1.056 176 V HN 1.344 nan 8.190 nan 0.000 0.436 177 S N 2.493 118.356 115.700 0.272 0.000 2.566 177 S HA 0.704 5.174 4.470 -0.000 0.000 0.298 177 S C -0.437 174.340 174.600 0.293 0.000 1.083 177 S CA -0.867 57.500 58.200 0.277 0.000 0.978 177 S CB 1.484 64.870 63.200 0.311 0.000 1.073 177 S HN 0.962 nan 8.310 nan 0.000 0.491 178 L N 3.337 124.677 121.223 0.196 0.000 2.490 178 L HA 0.210 4.549 4.340 -0.000 0.000 0.274 178 L C 1.905 178.906 176.870 0.218 0.000 1.201 178 L CA 0.215 55.161 54.840 0.177 0.000 0.869 178 L CB 0.171 42.239 42.059 0.015 0.000 1.123 178 L HN 1.110 nan 8.230 nan 0.000 0.484 179 G N 1.847 110.773 108.800 0.209 0.000 2.408 179 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 179 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 179 G C 1.052 175.761 174.900 -0.318 0.000 1.150 179 G CA 0.348 45.451 45.100 0.004 0.000 0.776 179 G HN 0.848 nan 8.290 nan 0.000 0.542 180 H N -0.294 118.790 119.070 0.024 0.000 2.916 180 H HA 0.244 4.800 4.556 -0.000 0.000 0.262 180 H C 2.035 177.343 175.328 -0.034 0.000 1.178 180 H CA -0.216 55.827 56.048 -0.008 0.000 1.090 180 H CB 0.498 30.247 29.762 -0.023 0.000 1.657 180 H HN 0.369 nan 8.280 nan 0.000 0.601 181 G N 2.489 111.325 108.800 0.060 0.000 2.679 181 G HA2 -0.522 3.438 3.960 -0.000 0.000 0.373 181 G HA3 -0.522 3.438 3.960 -0.000 0.000 0.373 181 G C 1.556 176.404 174.900 -0.086 0.000 1.114 181 G CA 2.337 47.407 45.100 -0.050 0.000 0.898 181 G HN 0.597 nan 8.290 nan 0.000 0.648 182 A N -1.211 121.550 122.820 -0.098 0.000 2.459 182 A HA -0.326 3.994 4.320 -0.000 0.000 0.260 182 A C 2.762 180.325 177.584 -0.034 0.000 2.445 182 A CA 4.540 56.535 52.037 -0.070 0.000 1.030 182 A CB -1.545 17.427 19.000 -0.045 0.000 0.575 182 A HN 2.012 nan 8.150 nan 0.000 0.466 183 S N -0.675 115.020 115.700 -0.008 0.000 2.425 183 S HA 0.388 4.858 4.470 -0.000 0.000 0.225 183 S C 1.592 176.205 174.600 0.021 0.000 1.024 183 S CA 0.896 59.102 58.200 0.009 0.000 0.951 183 S CB -0.319 62.883 63.200 0.003 0.000 0.796 183 S HN 1.532 nan 8.310 nan 0.000 0.498 184 A N 1.183 124.018 122.820 0.025 0.000 2.648 184 A HA 0.772 5.091 4.320 -0.000 0.000 0.269 184 A C 1.743 179.363 177.584 0.060 0.000 1.392 184 A CA 0.339 52.392 52.037 0.027 0.000 1.019 184 A CB -0.954 18.047 19.000 0.002 0.000 1.009 184 A HN 0.496 nan 8.150 nan 0.000 0.565 185 A N 0.671 123.532 122.820 0.068 0.000 1.877 185 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 185 A C 2.062 179.740 177.584 0.156 0.000 1.186 185 A CA 1.964 54.074 52.037 0.121 0.000 0.620 185 A CB -0.331 18.770 19.000 0.169 0.000 0.822 185 A HN 0.533 nan 8.150 nan 0.000 0.443 186 K N -0.203 120.270 120.400 0.122 0.000 1.985 186 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 186 K C 2.255 178.919 176.600 0.108 0.000 1.047 186 K CA 1.864 58.219 56.287 0.114 0.000 0.932 186 K CB -0.182 32.368 32.500 0.083 0.000 0.716 186 K HN 0.358 nan 8.250 nan 0.000 0.439 187 K N -0.321 120.121 120.400 0.070 0.000 1.985 187 K HA -0.136 4.184 4.320 -0.000 0.000 0.210 187 K C 2.185 178.830 176.600 0.075 0.000 1.047 187 K CA 1.980 58.296 56.287 0.048 0.000 0.932 187 K CB -0.417 32.077 32.500 -0.010 0.000 0.716 187 K HN 0.187 nan 8.250 nan 0.000 0.439 188 T N 0.672 115.277 114.554 0.085 0.000 2.737 188 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 188 T C 1.952 176.779 174.700 0.211 0.000 1.040 188 T CA 1.395 63.576 62.100 0.134 0.000 1.142 188 T CB -0.263 68.713 68.868 0.181 0.000 0.861 188 T HN 0.346 nan 8.240 nan 0.000 0.456 189 C N 0.821 120.275 119.300 0.255 0.000 2.508 189 C HA 0.214 4.674 4.460 -0.000 0.000 0.280 189 C C 3.141 178.339 174.990 0.346 0.000 1.262 189 C CA 0.510 59.751 59.018 0.372 0.000 1.706 189 C CB -1.272 26.661 27.740 0.322 0.000 2.078 189 C HN 0.656 nan 8.230 nan 0.000 0.480 190 A N 0.100 123.070 122.820 0.250 0.000 2.070 190 A HA 0.086 4.406 4.320 -0.000 0.000 0.220 190 A C 2.215 179.918 177.584 0.198 0.000 1.159 190 A CA 1.798 53.974 52.037 0.231 0.000 0.656 190 A CB -0.708 18.378 19.000 0.144 0.000 0.800 190 A HN 0.654 nan 8.150 nan 0.000 0.453 191 A N -0.490 122.423 122.820 0.156 0.000 2.125 191 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 191 A C 1.520 179.180 177.584 0.127 0.000 1.156 191 A CA 1.511 53.615 52.037 0.111 0.000 0.671 191 A CB -0.277 18.767 19.000 0.072 0.000 0.794 191 A HN 0.476 nan 8.150 nan 0.000 0.459 192 N N -2.295 116.515 118.700 0.183 0.000 2.197 192 N HA 0.100 4.840 4.740 -0.000 0.000 0.228 192 N C 0.652 176.312 175.510 0.250 0.000 1.212 192 N CA -0.220 52.907 53.050 0.129 0.000 0.883 192 N CB 0.000 38.438 38.487 -0.081 0.000 1.107 192 N HN 0.506 nan 8.380 nan 0.000 0.519 193 Y N 2.789 123.207 120.300 0.197 0.000 2.030 193 Y HA -0.366 4.184 4.550 -0.000 0.000 0.272 193 Y C 1.743 177.758 175.900 0.191 0.000 1.185 193 Y CA 2.444 60.674 58.100 0.218 0.000 1.120 193 Y CB 0.095 38.642 38.460 0.145 0.000 0.955 193 Y HN 0.074 nan 8.280 nan 0.000 0.495 194 E N -0.673 119.703 120.200 0.293 0.000 2.049 194 E HA -0.313 4.037 4.350 -0.000 0.000 0.198 194 E C 2.001 178.652 176.600 0.084 0.000 1.007 194 E CA 1.919 58.417 56.400 0.164 0.000 0.809 194 E CB -1.491 28.308 29.700 0.165 0.000 0.749 194 E HN 0.721 nan 8.360 nan 0.000 0.450 195 Y N 0.602 120.897 120.300 -0.010 0.000 2.081 195 Y HA -0.272 4.278 4.550 -0.000 0.000 0.280 195 Y C 2.031 177.956 175.900 0.042 0.000 1.163 195 Y CA 1.800 59.864 58.100 -0.061 0.000 1.135 195 Y CB -0.568 37.785 38.460 -0.178 0.000 0.970 195 Y HN 0.060 nan 8.280 nan 0.000 0.498 196 F N -0.076 119.949 119.950 0.125 0.000 2.234 196 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 196 F C 2.188 177.995 175.800 0.011 0.000 1.087 196 F CA 1.088 59.157 58.000 0.114 0.000 1.340 196 F CB -0.295 38.785 39.000 0.134 0.000 1.031 196 F HN 0.106 nan 8.300 nan 0.000 0.500 197 D N 0.145 120.559 120.400 0.023 0.000 2.350 197 D HA -0.144 4.496 4.640 -0.000 0.000 0.216 197 D C 1.902 178.132 176.300 -0.117 0.000 0.968 197 D CA 0.776 54.716 54.000 -0.099 0.000 0.894 197 D CB -0.169 40.508 40.800 -0.204 0.000 0.909 197 D HN 0.293 nan 8.370 nan 0.000 0.520 198 Q N -1.146 118.512 119.800 -0.238 0.000 2.364 198 Q HA -0.074 4.266 4.340 -0.000 0.000 0.209 198 Q C -0.194 175.433 176.000 -0.620 0.000 0.977 198 Q CA 0.588 56.098 55.803 -0.490 0.000 0.885 198 Q CB 0.137 28.408 28.738 -0.779 0.000 0.941 198 Q HN 0.312 nan 8.270 nan 0.000 0.464 199 F N -1.403 118.486 119.950 -0.101 0.000 2.507 199 F HA 0.202 4.728 4.527 -0.000 0.000 0.327 199 F C 1.236 176.993 175.800 -0.071 0.000 1.068 199 F CA -0.916 57.038 58.000 -0.078 0.000 0.965 199 F CB 1.172 40.127 39.000 -0.076 0.000 1.192 199 F HN -0.244 nan 8.300 nan 0.000 0.476 200 E N 0.061 120.337 120.200 0.125 0.000 2.047 200 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 200 E C 0.030 176.639 176.600 0.015 0.000 0.987 200 E CA 0.960 57.384 56.400 0.040 0.000 0.799 200 E CB 0.221 29.934 29.700 0.023 0.000 0.752 200 E HN 0.626 nan 8.360 nan 0.000 0.449 201 Q N 0.033 119.838 119.800 0.007 0.000 2.331 201 Q HA 0.400 4.740 4.340 -0.000 0.000 0.272 201 Q C -1.258 174.679 176.000 -0.105 0.000 1.062 201 Q CA -0.535 55.236 55.803 -0.054 0.000 0.806 201 Q CB 1.490 30.184 28.738 -0.073 0.000 1.312 201 Q HN 0.009 nan 8.270 nan 0.000 0.431 202 I N 4.047 124.526 120.570 -0.152 0.000 2.307 202 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 202 I C -0.276 175.681 176.117 -0.266 0.000 1.021 202 I CA -0.729 60.421 61.300 -0.250 0.000 1.224 202 I CB 1.063 38.873 38.000 -0.316 0.000 1.376 202 I HN 0.580 nan 8.210 nan 0.000 0.470 203 I N 7.350 127.760 120.570 -0.268 0.000 2.287 203 I HA 0.210 4.379 4.170 -0.000 0.000 0.290 203 I C 0.000 175.960 176.117 -0.262 0.000 1.069 203 I CA -0.433 60.714 61.300 -0.254 0.000 1.237 203 I CB 0.466 38.334 38.000 -0.222 0.000 1.418 203 I HN 0.365 nan 8.210 nan 0.000 0.481 204 L N 7.199 128.219 121.223 -0.338 0.000 2.433 204 L HA 0.246 4.585 4.340 -0.000 0.000 0.284 204 L C 0.342 177.004 176.870 -0.347 0.000 1.120 204 L CA 0.344 54.898 54.840 -0.475 0.000 0.879 204 L CB 0.440 41.998 42.059 -0.835 0.000 1.232 204 L HN 0.663 nan 8.230 nan 0.000 0.454 205 M N 5.164 124.722 119.600 -0.069 0.000 3.145 205 M HA 0.369 4.849 4.480 -0.000 0.000 0.254 205 M C -0.623 175.866 176.300 0.315 0.000 1.264 205 M CA -0.148 55.177 55.300 0.043 0.000 1.293 205 M CB 0.073 32.678 32.600 0.008 0.000 1.170 205 M HN 0.352 nan 8.290 nan 0.000 0.572 206 F N -0.294 119.650 119.950 -0.010 0.000 2.364 206 F HA 0.307 4.834 4.527 -0.000 0.000 0.316 206 F C 0.906 176.718 175.800 0.020 0.000 1.133 206 F CA -1.528 56.480 58.000 0.014 0.000 1.051 206 F CB 0.665 39.679 39.000 0.025 0.000 1.342 206 F HN 0.301 nan 8.300 nan 0.000 0.507 207 D N 0.783 121.313 120.400 0.217 0.000 2.478 207 D HA -0.004 4.636 4.640 -0.000 0.000 0.234 207 D C 0.330 176.706 176.300 0.126 0.000 1.154 207 D CA 0.567 54.642 54.000 0.124 0.000 0.874 207 D CB 0.497 41.343 40.800 0.076 0.000 1.198 207 D HN 0.125 nan 8.370 nan 0.000 0.455 208 M N 2.485 122.139 119.600 0.089 0.000 3.242 208 M HA 0.165 4.645 4.480 -0.000 0.000 0.250 208 M C -0.687 175.651 176.300 0.064 0.000 1.239 208 M CA -0.377 54.971 55.300 0.079 0.000 1.205 208 M CB -1.574 31.065 32.600 0.065 0.000 1.189 208 M HN 0.293 nan 8.290 nan 0.000 0.531 209 D N -2.990 117.450 120.400 0.066 0.000 2.636 209 D HA 0.318 4.957 4.640 -0.000 0.000 0.275 209 D C 0.621 176.951 176.300 0.050 0.000 1.130 209 D CA -0.742 53.288 54.000 0.050 0.000 1.031 209 D CB 1.062 41.886 40.800 0.042 0.000 1.451 209 D HN 0.023 nan 8.370 nan 0.000 0.505 210 E N -0.225 119.997 120.200 0.037 0.000 2.144 210 E HA -0.379 3.970 4.350 -0.000 0.000 0.243 210 E C 1.933 178.560 176.600 0.044 0.000 1.043 210 E CA 2.616 59.036 56.400 0.033 0.000 0.952 210 E CB -0.448 29.267 29.700 0.024 0.000 0.849 210 E HN 0.546 nan 8.360 nan 0.000 0.522 211 A N -0.038 122.808 122.820 0.043 0.000 2.121 211 A HA -0.022 4.297 4.320 -0.000 0.000 0.218 211 A C 2.122 179.752 177.584 0.077 0.000 1.154 211 A CA 1.526 53.593 52.037 0.050 0.000 0.679 211 A CB -0.527 18.493 19.000 0.034 0.000 0.795 211 A HN 0.447 nan 8.150 nan 0.000 0.458 212 G N -0.784 108.070 108.800 0.089 0.000 2.408 212 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.215 212 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.215 212 G C 1.671 176.686 174.900 0.192 0.000 1.156 212 G CA 0.644 45.830 45.100 0.142 0.000 0.793 212 G HN 0.433 nan 8.290 nan 0.000 0.535 213 R N 0.482 121.059 120.500 0.129 0.000 2.075 213 R HA 0.131 4.471 4.340 -0.000 0.000 0.232 213 R C 2.496 178.862 176.300 0.110 0.000 1.126 213 R CA 0.869 57.037 56.100 0.113 0.000 0.963 213 R CB -0.279 30.064 30.300 0.072 0.000 0.858 213 R HN 0.147 nan 8.270 nan 0.000 0.435 214 K N -0.055 120.403 120.400 0.097 0.000 2.032 214 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 214 K C 1.872 178.551 176.600 0.132 0.000 1.048 214 K CA 1.592 57.933 56.287 0.089 0.000 0.927 214 K CB -0.255 32.285 32.500 0.068 0.000 0.712 214 K HN 0.211 nan 8.250 nan 0.000 0.441 215 A N 0.909 123.842 122.820 0.188 0.000 1.873 215 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 215 A C 2.389 180.201 177.584 0.380 0.000 1.193 215 A CA 2.106 54.317 52.037 0.290 0.000 0.629 215 A CB -0.915 18.273 19.000 0.313 0.000 0.826 215 A HN 0.142 nan 8.150 nan 0.000 0.447 216 V N 0.233 120.331 119.914 0.307 0.000 2.250 216 V HA -0.306 3.813 4.120 -0.000 0.000 0.250 216 V C 2.657 178.761 176.094 0.017 0.000 1.060 216 V CA 2.388 64.660 62.300 -0.047 0.000 1.030 216 V CB -0.837 30.928 31.823 -0.096 0.000 0.643 216 V HN 0.548 nan 8.190 nan 0.000 0.445 217 E N -0.118 120.123 120.200 0.067 0.000 2.033 217 E HA -0.267 4.082 4.350 -0.000 0.000 0.199 217 E C 2.260 178.902 176.600 0.069 0.000 1.011 217 E CA 1.709 58.145 56.400 0.059 0.000 0.815 217 E CB -0.313 29.418 29.700 0.053 0.000 0.755 217 E HN 0.645 nan 8.360 nan 0.000 0.451 218 E N 0.282 120.537 120.200 0.091 0.000 2.153 218 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 218 E C 1.740 178.407 176.600 0.112 0.000 0.988 218 E CA 1.085 57.542 56.400 0.094 0.000 0.811 218 E CB -0.150 29.610 29.700 0.100 0.000 0.746 218 E HN 0.280 nan 8.360 nan 0.000 0.466 219 A N 0.685 123.588 122.820 0.139 0.000 1.832 219 A HA -0.059 4.260 4.320 -0.000 0.000 0.214 219 A C 2.407 180.043 177.584 0.086 0.000 1.200 219 A CA 1.832 53.959 52.037 0.151 0.000 0.610 219 A CB -1.126 17.995 19.000 0.203 0.000 0.842 219 A HN 0.326 nan 8.150 nan 0.000 0.444 220 A N -1.231 121.605 122.820 0.027 0.000 1.940 220 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 220 A C 2.108 179.728 177.584 0.060 0.000 1.176 220 A CA 2.208 54.254 52.037 0.015 0.000 0.631 220 A CB -0.609 18.387 19.000 -0.006 0.000 0.814 220 A HN 0.583 nan 8.150 nan 0.000 0.446 221 Q N -0.832 119.009 119.800 0.068 0.000 2.077 221 Q HA -0.161 4.178 4.340 -0.000 0.000 0.206 221 Q C 1.926 177.983 176.000 0.095 0.000 0.989 221 Q CA 2.454 58.300 55.803 0.073 0.000 0.853 221 Q CB -0.490 28.286 28.738 0.064 0.000 0.907 221 Q HN 0.655 nan 8.270 nan 0.000 0.418 222 V N -0.895 119.089 119.914 0.117 0.000 3.541 222 V HA 0.187 4.306 4.120 -0.000 0.000 0.267 222 V C 0.796 177.044 176.094 0.256 0.000 1.213 222 V CA 0.461 62.852 62.300 0.152 0.000 1.149 222 V CB -0.149 31.760 31.823 0.143 0.000 0.822 222 V HN 0.074 nan 8.190 nan 0.000 0.462 223 L N 1.320 122.674 121.223 0.218 0.000 2.399 223 L HA 0.416 4.756 4.340 -0.000 0.000 0.266 223 L C -1.851 175.158 176.870 0.231 0.000 1.114 223 L CA -1.786 53.187 54.840 0.221 0.000 0.804 223 L CB 1.375 43.468 42.059 0.056 0.000 1.146 223 L HN 0.107 nan 8.230 nan 0.000 0.451 224 P HA 0.068 nan 4.420 nan 0.000 0.266 224 P C 0.122 177.456 177.300 0.058 0.000 1.215 224 P CA 0.378 63.484 63.100 0.011 0.000 0.763 224 P CB 0.800 32.187 31.700 -0.521 0.000 0.806 225 A N 4.468 127.368 122.820 0.133 0.000 5.668 225 A HA -0.201 4.119 4.320 -0.000 0.000 0.317 225 A C 1.352 178.957 177.584 0.036 0.000 1.826 225 A CA 1.390 53.474 52.037 0.078 0.000 0.735 225 A CB -2.147 16.893 19.000 0.067 0.000 1.336 225 A HN 0.666 nan 8.150 nan 0.000 0.396 226 G N -1.222 107.589 108.800 0.019 0.000 3.562 226 G HA2 0.440 4.400 3.960 -0.000 0.000 0.279 226 G HA3 0.440 4.400 3.960 -0.000 0.000 0.279 226 G C 0.685 175.574 174.900 -0.019 0.000 1.314 226 G CA 0.779 45.881 45.100 0.003 0.000 1.189 226 G HN 0.706 nan 8.290 nan 0.000 0.562 227 K N -0.373 120.008 120.400 -0.031 0.000 2.335 227 K HA 0.111 4.430 4.320 -0.000 0.000 0.195 227 K C 0.723 177.269 176.600 -0.090 0.000 1.058 227 K CA 0.025 56.279 56.287 -0.055 0.000 0.988 227 K CB 0.722 33.189 32.500 -0.055 0.000 0.880 227 K HN 0.260 nan 8.250 nan 0.000 0.513 228 V N 3.725 123.584 119.914 -0.093 0.000 2.572 228 V HA 0.134 4.254 4.120 -0.000 0.000 0.291 228 V C 0.027 176.027 176.094 -0.156 0.000 1.039 228 V CA -0.498 61.720 62.300 -0.137 0.000 1.055 228 V CB 0.104 31.859 31.823 -0.114 0.000 0.969 228 V HN 0.237 nan 8.190 nan 0.000 0.482 229 R N 3.180 123.548 120.500 -0.219 0.000 2.628 229 R HA 0.691 5.031 4.340 -0.000 0.000 0.288 229 R C -1.458 174.621 176.300 -0.370 0.000 0.980 229 R CA -0.840 55.085 56.100 -0.293 0.000 0.891 229 R CB 1.479 31.617 30.300 -0.270 0.000 1.188 229 R HN 0.426 nan 8.270 nan 0.000 0.450 230 V N 2.143 121.741 119.914 -0.526 0.000 2.530 230 V HA 0.345 4.465 4.120 -0.000 0.000 0.282 230 V C 0.547 176.369 176.094 -0.453 0.000 1.048 230 V CA -0.287 61.733 62.300 -0.467 0.000 0.997 230 V CB 1.300 32.921 31.823 -0.336 0.000 0.987 230 V HN 0.929 nan 8.190 nan 0.000 0.477 231 A N 5.394 128.043 122.820 -0.285 0.000 2.354 231 A HA 0.643 4.963 4.320 -0.000 0.000 0.269 231 A C -0.473 177.038 177.584 -0.122 0.000 1.109 231 A CA -0.279 51.634 52.037 -0.207 0.000 0.800 231 A CB 0.862 19.775 19.000 -0.146 0.000 1.045 231 A HN 0.703 nan 8.150 nan 0.000 0.489 232 V N 4.368 124.220 119.914 -0.104 0.000 2.445 232 V HA 0.278 4.398 4.120 -0.000 0.000 0.283 232 V C -0.468 175.614 176.094 -0.020 0.000 1.014 232 V CA -0.019 62.273 62.300 -0.014 0.000 0.852 232 V CB 0.754 32.602 31.823 0.041 0.000 1.021 232 V HN 0.792 nan 8.190 nan 0.000 0.435 233 L N 6.182 127.406 121.223 0.002 0.000 2.375 233 L HA 0.518 4.858 4.340 -0.000 0.000 0.268 233 L C -1.241 175.641 176.870 0.020 0.000 1.058 233 L CA -1.570 53.273 54.840 0.005 0.000 0.803 233 L CB 1.353 43.426 42.059 0.023 0.000 1.212 233 L HN 0.332 nan 8.230 nan 0.000 0.451 234 P HA -0.018 nan 4.420 nan 0.000 0.226 234 P C -0.511 176.829 177.300 0.068 0.000 1.153 234 P CA 0.616 63.723 63.100 0.012 0.000 0.777 234 P CB 0.129 31.783 31.700 -0.075 0.000 0.794 235 C N -2.514 116.838 119.300 0.087 0.000 3.235 235 C HA 0.367 4.827 4.460 -0.000 0.000 0.351 235 C C 1.925 176.950 174.990 0.059 0.000 1.520 235 C CA -1.056 58.008 59.018 0.076 0.000 1.474 235 C CB 1.277 29.068 27.740 0.086 0.000 2.019 235 C HN 0.009 nan 8.230 nan 0.000 0.446 236 K N 0.893 121.323 120.400 0.050 0.000 2.015 236 K HA -0.201 4.119 4.320 -0.000 0.000 0.216 236 K C 0.123 176.755 176.600 0.053 0.000 1.052 236 K CA 2.727 59.042 56.287 0.047 0.000 0.937 236 K CB -0.247 32.275 32.500 0.037 0.000 0.719 236 K HN 0.949 nan 8.250 nan 0.000 0.446 237 D N -3.931 116.498 120.400 0.049 0.000 2.592 237 D HA 0.348 4.988 4.640 -0.000 0.000 0.263 237 D C 0.113 176.441 176.300 0.047 0.000 1.132 237 D CA -0.193 53.837 54.000 0.051 0.000 0.996 237 D CB 0.959 41.785 40.800 0.044 0.000 1.442 237 D HN -0.027 nan 8.370 nan 0.000 0.486 238 A N -0.126 122.719 122.820 0.041 0.000 2.076 238 A HA -0.229 4.090 4.320 -0.000 0.000 0.220 238 A C 1.770 179.380 177.584 0.043 0.000 1.160 238 A CA 1.574 53.628 52.037 0.028 0.000 0.653 238 A CB -0.928 18.077 19.000 0.008 0.000 0.801 238 A HN 0.658 nan 8.150 nan 0.000 0.455 239 N N -0.334 118.395 118.700 0.049 0.000 2.290 239 N HA -0.143 4.597 4.740 -0.000 0.000 0.179 239 N C 1.763 177.308 175.510 0.059 0.000 1.016 239 N CA 1.246 54.339 53.050 0.072 0.000 0.871 239 N CB -0.117 38.401 38.487 0.051 0.000 0.987 239 N HN 0.680 nan 8.380 nan 0.000 0.431 240 E N 0.340 120.562 120.200 0.037 0.000 2.171 240 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 240 E C 1.941 178.542 176.600 0.002 0.000 0.997 240 E CA 1.363 57.773 56.400 0.017 0.000 0.810 240 E CB 0.002 29.717 29.700 0.025 0.000 0.738 240 E HN 0.408 nan 8.360 nan 0.000 0.467 241 C N 0.030 119.348 119.300 0.031 0.000 2.473 241 C HA -0.102 4.358 4.460 -0.000 0.000 0.279 241 C C 2.561 177.546 174.990 -0.008 0.000 1.250 241 C CA 0.996 60.024 59.018 0.016 0.000 1.713 241 C CB -1.414 26.374 27.740 0.079 0.000 2.066 241 C HN 0.623 nan 8.230 nan 0.000 0.474 242 H N 0.943 119.980 119.070 -0.055 0.000 2.265 242 H HA -0.041 4.515 4.556 -0.000 0.000 0.295 242 H C 0.836 176.127 175.328 -0.061 0.000 1.084 242 H CA 1.072 57.089 56.048 -0.052 0.000 1.261 242 H CB -0.818 28.927 29.762 -0.028 0.000 1.360 242 H HN 0.286 nan 8.280 nan 0.000 0.487 243 L N 3.322 124.459 121.223 -0.143 0.000 2.891 243 L HA -0.133 4.207 4.340 -0.000 0.000 0.290 243 L C 0.332 177.097 176.870 -0.175 0.000 1.093 243 L CA 0.922 55.651 54.840 -0.185 0.000 1.108 243 L CB -1.369 40.638 42.059 -0.088 0.000 1.488 243 L HN 0.720 nan 8.230 nan 0.000 0.447 244 N N 3.031 121.604 118.700 -0.212 0.000 2.240 244 N HA -0.190 4.550 4.740 -0.000 0.000 0.360 244 N C 0.346 175.724 175.510 -0.220 0.000 1.163 244 N CA 0.528 53.470 53.050 -0.180 0.000 0.713 244 N CB 0.185 38.594 38.487 -0.129 0.000 0.996 244 N HN 0.805 nan 8.380 nan 0.000 0.554 245 G N 2.083 110.709 108.800 -0.291 0.000 2.680 245 G HA2 0.086 4.045 3.960 -0.000 0.000 0.092 245 G HA3 0.086 4.045 3.960 -0.000 0.000 0.092 245 G C -1.383 173.190 174.900 -0.546 0.000 1.097 245 G CA -0.480 44.226 45.100 -0.657 0.000 1.368 245 G HN 0.742 nan 8.290 nan 0.000 0.619 246 H N 1.634 120.710 119.070 0.011 0.000 2.423 246 H HA 0.406 4.962 4.556 -0.000 0.000 0.237 246 H C -0.113 175.215 175.328 0.001 0.000 1.391 246 H CA -0.613 55.435 56.048 0.001 0.000 1.453 246 H CB 1.228 30.982 29.762 -0.013 0.000 1.484 246 H HN 0.337 nan 8.280 nan 0.000 0.505 247 D N 1.386 121.833 120.400 0.079 0.000 2.104 247 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 247 D C 2.173 178.462 176.300 -0.019 0.000 0.994 247 D CA 0.918 54.948 54.000 0.050 0.000 0.830 247 D CB 0.400 41.245 40.800 0.076 0.000 0.959 247 D HN 0.391 nan 8.370 nan 0.000 0.452 248 R N 1.299 121.797 120.500 -0.004 0.000 2.193 248 R HA -0.153 4.187 4.340 -0.000 0.000 0.229 248 R C 1.477 177.707 176.300 -0.118 0.000 1.110 248 R CA 1.045 57.105 56.100 -0.066 0.000 0.988 248 R CB 0.052 30.349 30.300 -0.006 0.000 0.871 248 R HN 0.041 nan 8.270 nan 0.000 0.458 249 E N 0.629 120.802 120.200 -0.044 0.000 2.046 249 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 249 E C 1.954 178.472 176.600 -0.137 0.000 0.982 249 E CA 1.357 57.713 56.400 -0.074 0.000 0.800 249 E CB -0.166 29.531 29.700 -0.005 0.000 0.756 249 E HN 0.365 nan 8.360 nan 0.000 0.449 250 I N -0.120 120.378 120.570 -0.120 0.000 2.208 250 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 250 I C 2.205 178.129 176.117 -0.323 0.000 1.097 250 I CA 0.922 62.120 61.300 -0.170 0.000 1.363 250 I CB -0.231 37.696 38.000 -0.123 0.000 1.051 250 I HN 0.171 nan 8.210 nan 0.000 0.413 251 M N 0.699 120.039 119.600 -0.433 0.000 2.067 251 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 251 M C 2.043 177.643 176.300 -1.168 0.000 1.069 251 M CA 1.869 56.657 55.300 -0.852 0.000 1.117 251 M CB -0.420 31.676 32.600 -0.841 0.000 1.334 251 M HN 0.083 nan 8.290 nan 0.000 0.407 252 E N -0.753 119.003 120.200 -0.741 0.000 2.396 252 E HA -0.212 4.138 4.350 -0.000 0.000 0.200 252 E C 1.811 178.223 176.600 -0.313 0.000 1.023 252 E CA 0.661 56.783 56.400 -0.462 0.000 0.857 252 E CB -0.003 29.567 29.700 -0.217 0.000 0.775 252 E HN 0.588 nan 8.360 nan 0.000 0.525 253 Q N -0.491 119.098 119.800 -0.352 0.000 2.387 253 Q HA 0.017 4.357 4.340 -0.000 0.000 0.208 253 Q C 2.474 178.320 176.000 -0.256 0.000 0.935 253 Q CA 0.375 56.024 55.803 -0.256 0.000 0.891 253 Q CB -0.250 28.358 28.738 -0.218 0.000 1.007 253 Q HN 0.156 nan 8.270 nan 0.000 0.548 254 V N 1.243 120.959 119.914 -0.330 0.000 2.250 254 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 254 V C 0.908 176.918 176.094 -0.139 0.000 1.060 254 V CA 1.430 63.569 62.300 -0.269 0.000 1.030 254 V CB -0.469 31.167 31.823 -0.311 0.000 0.643 254 V HN 0.297 nan 8.190 nan 0.000 0.445 255 W N 1.844 123.048 121.300 -0.161 0.000 2.238 255 W HA 0.274 4.934 4.660 -0.000 0.000 0.321 255 W C 1.177 177.612 176.519 -0.140 0.000 1.293 255 W CA -0.366 56.885 57.345 -0.157 0.000 1.204 255 W CB -1.125 28.252 29.460 -0.139 0.000 1.167 255 W HN 0.681 nan 8.180 nan 0.000 0.553 256 N N -0.370 118.378 118.700 0.079 0.000 2.661 256 N HA -0.275 4.465 4.740 -0.000 0.000 0.249 256 N C -0.048 175.425 175.510 -0.061 0.000 1.142 256 N CA 1.356 54.410 53.050 0.008 0.000 0.727 256 N CB -1.578 36.934 38.487 0.041 0.000 1.099 256 N HN 0.438 nan 8.380 nan 0.000 0.558 257 A N 0.207 122.954 122.820 -0.122 0.000 2.275 257 A HA 0.595 4.915 4.320 -0.000 0.000 0.276 257 A C 1.243 178.663 177.584 -0.274 0.000 1.232 257 A CA 0.326 52.243 52.037 -0.200 0.000 0.814 257 A CB -0.563 18.293 19.000 -0.240 0.000 1.145 257 A HN 0.774 nan 8.150 nan 0.000 0.508 258 G N -1.275 107.262 108.800 -0.438 0.000 2.432 258 G HA2 0.429 4.389 3.960 -0.000 0.000 0.239 258 G HA3 0.429 4.389 3.960 -0.000 0.000 0.239 258 G C -1.978 172.549 174.900 -0.621 0.000 1.291 258 G CA -0.397 44.308 45.100 -0.658 0.000 0.863 258 G HN 0.475 nan 8.290 nan 0.000 0.560 259 P HA 0.125 nan 4.420 nan 0.000 0.280 259 P C -0.312 176.903 177.300 -0.141 0.000 1.431 259 P CA -0.588 62.361 63.100 -0.252 0.000 1.058 259 P CB 0.038 31.666 31.700 -0.120 0.000 1.521 260 W N 1.782 123.049 121.300 -0.056 0.000 2.210 260 W HA 0.409 5.069 4.660 -0.000 0.000 0.330 260 W C 0.267 176.756 176.519 -0.050 0.000 1.334 260 W CA -0.806 56.511 57.345 -0.047 0.000 1.227 260 W CB -0.504 28.931 29.460 -0.041 0.000 1.178 260 W HN -0.162 nan 8.180 nan 0.000 0.560 261 I N 2.210 122.919 120.570 0.233 0.000 4.461 261 I HA 0.053 4.222 4.170 -0.000 0.000 0.364 261 I C -1.954 174.213 176.117 0.083 0.000 1.246 261 I CA -0.679 60.711 61.300 0.150 0.000 1.230 261 I CB -0.247 37.808 38.000 0.092 0.000 1.929 261 I HN 0.195 nan 8.210 nan 0.000 0.660 262 P HA 0.245 nan 4.420 nan 0.000 0.241 262 P C -0.391 176.913 177.300 0.006 0.000 1.780 262 P CA 0.377 63.498 63.100 0.035 0.000 1.111 262 P CB 0.449 32.169 31.700 0.033 0.000 1.852 263 D N 2.038 122.436 120.400 -0.003 0.000 3.110 263 D HA 0.300 4.940 4.640 -0.000 0.000 0.254 263 D C 1.074 177.366 176.300 -0.013 0.000 1.283 263 D CA -0.073 53.912 54.000 -0.025 0.000 0.944 263 D CB -0.330 40.446 40.800 -0.040 0.000 1.066 263 D HN 0.548 nan 8.370 nan 0.000 0.496 264 G N -0.267 108.529 108.800 -0.007 0.000 3.987 264 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.220 264 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.220 264 G C -0.040 174.861 174.900 0.001 0.000 0.871 264 G CA -0.226 44.872 45.100 -0.003 0.000 0.881 264 G HN 0.275 nan 8.290 nan 0.000 0.674 265 V N 1.536 121.452 119.914 0.004 0.000 2.567 265 V HA 0.699 4.819 4.120 -0.000 0.000 0.289 265 V C -0.295 175.800 176.094 0.003 0.000 1.049 265 V CA -0.254 62.049 62.300 0.006 0.000 0.969 265 V CB 1.776 33.607 31.823 0.013 0.000 0.995 265 V HN 0.320 nan 8.190 nan 0.000 0.471 266 V N 5.290 125.205 119.914 0.001 0.000 2.637 266 V HA 0.249 4.368 4.120 -0.000 0.000 0.274 266 V C -0.030 176.063 176.094 -0.002 0.000 1.004 266 V CA -0.591 61.708 62.300 -0.002 0.000 0.894 266 V CB 1.736 33.555 31.823 -0.007 0.000 1.046 266 V HN 0.984 nan 8.190 nan 0.000 0.467 267 S N 3.277 118.977 115.700 0.000 0.000 2.558 267 S HA 0.412 4.882 4.470 -0.000 0.000 0.288 267 S C 1.545 176.143 174.600 -0.003 0.000 1.318 267 S CA 0.305 58.505 58.200 0.000 0.000 1.056 267 S CB 1.663 64.865 63.200 0.003 0.000 0.853 267 S HN 1.345 nan 8.310 nan 0.000 0.505 268 A N 3.310 126.128 122.820 -0.004 0.000 1.883 268 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 268 A C 2.180 179.760 177.584 -0.006 0.000 1.186 268 A CA 1.331 53.364 52.037 -0.007 0.000 0.624 268 A CB -0.903 18.093 19.000 -0.007 0.000 0.822 268 A HN 0.773 nan 8.150 nan 0.000 0.444 269 L N 0.891 122.111 121.223 -0.004 0.000 2.089 269 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 269 L C 2.515 179.382 176.870 -0.004 0.000 1.079 269 L CA 2.524 57.362 54.840 -0.003 0.000 0.758 269 L CB -1.348 40.711 42.059 -0.001 0.000 0.891 269 L HN 0.625 nan 8.230 nan 0.000 0.433 270 S N -2.188 113.510 115.700 -0.004 0.000 2.710 270 S HA 0.120 4.589 4.470 -0.000 0.000 0.224 270 S C 1.213 175.809 174.600 -0.007 0.000 0.948 270 S CA -0.076 58.122 58.200 -0.004 0.000 0.949 270 S CB -0.256 62.942 63.200 -0.004 0.000 0.778 270 S HN 0.323 nan 8.310 nan 0.000 0.498 271 L N 0.371 121.590 121.223 -0.008 0.000 2.858 271 L HA 0.434 4.774 4.340 -0.000 0.000 0.251 271 L C 2.108 178.974 176.870 -0.007 0.000 1.149 271 L CA -0.144 54.690 54.840 -0.010 0.000 0.955 271 L CB -0.089 41.960 42.059 -0.016 0.000 1.289 271 L HN 0.263 nan 8.230 nan 0.000 0.542 272 R N 0.939 121.436 120.500 -0.005 0.000 2.143 272 R HA -0.245 4.095 4.340 -0.000 0.000 0.239 272 R C 1.891 178.192 176.300 0.001 0.000 1.126 272 R CA 2.191 58.290 56.100 -0.002 0.000 0.927 272 R CB -0.175 30.124 30.300 -0.002 0.000 0.860 272 R HN 0.180 nan 8.270 nan 0.000 0.433 273 E N 0.321 120.521 120.200 0.000 0.000 2.038 273 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 273 E C 2.107 178.712 176.600 0.007 0.000 1.000 273 E CA 1.558 57.959 56.400 0.002 0.000 0.803 273 E CB -0.438 29.261 29.700 -0.002 0.000 0.750 273 E HN 0.445 nan 8.360 nan 0.000 0.448 274 R N 0.449 120.952 120.500 0.005 0.000 2.127 274 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 274 R C 2.409 178.729 176.300 0.032 0.000 1.134 274 R CA 1.085 57.193 56.100 0.013 0.000 0.975 274 R CB -0.214 30.088 30.300 0.004 0.000 0.865 274 R HN 0.154 nan 8.270 nan 0.000 0.447 275 I N -0.240 120.342 120.570 0.019 0.000 2.193 275 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 275 I C 2.614 178.765 176.117 0.057 0.000 1.084 275 I CA 1.190 62.505 61.300 0.025 0.000 1.365 275 I CB -0.340 37.657 38.000 -0.004 0.000 1.064 275 I HN 0.181 nan 8.210 nan 0.000 0.410 276 R N 1.809 122.329 120.500 0.033 0.000 2.115 276 R HA -0.298 4.041 4.340 -0.000 0.000 0.239 276 R C 2.180 178.499 176.300 0.032 0.000 1.133 276 R CA 2.500 58.617 56.100 0.028 0.000 0.935 276 R CB -0.436 29.872 30.300 0.013 0.000 0.853 276 R HN 0.415 nan 8.270 nan 0.000 0.433 277 E N -0.601 119.615 120.200 0.026 0.000 2.153 277 E HA -0.248 4.101 4.350 -0.000 0.000 0.194 277 E C 1.817 178.423 176.600 0.009 0.000 0.988 277 E CA 1.987 58.392 56.400 0.008 0.000 0.811 277 E CB -0.473 29.226 29.700 -0.002 0.000 0.746 277 E HN 0.734 nan 8.360 nan 0.000 0.466 278 H N -0.054 118.995 119.070 -0.036 0.000 2.293 278 H HA -0.036 4.520 4.556 -0.000 0.000 0.300 278 H C 1.932 177.235 175.328 -0.042 0.000 1.082 278 H CA 2.318 58.341 56.048 -0.043 0.000 1.308 278 H CB -0.247 29.492 29.762 -0.038 0.000 1.375 278 H HN 0.221 nan 8.280 nan 0.000 0.495 279 L N -0.198 121.108 121.223 0.139 0.000 2.042 279 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 279 L C 2.615 179.479 176.870 -0.009 0.000 1.076 279 L CA 1.559 56.459 54.840 0.100 0.000 0.749 279 L CB -0.331 41.779 42.059 0.085 0.000 0.893 279 L HN 0.372 nan 8.230 nan 0.000 0.432 280 S N -1.214 114.469 115.700 -0.029 0.000 2.338 280 S HA -0.174 4.296 4.470 -0.000 0.000 0.218 280 S C 2.118 176.656 174.600 -0.102 0.000 1.032 280 S CA 1.303 59.470 58.200 -0.055 0.000 0.999 280 S CB -0.402 62.774 63.200 -0.041 0.000 0.905 280 S HN 0.288 nan 8.310 nan 0.000 0.439 281 S N 0.950 116.567 115.700 -0.137 0.000 2.389 281 S HA -0.109 4.360 4.470 -0.000 0.000 0.229 281 S C 0.789 175.246 174.600 -0.239 0.000 1.048 281 S CA 1.429 59.517 58.200 -0.185 0.000 1.117 281 S CB -0.297 62.778 63.200 -0.208 0.000 1.020 281 S HN 0.381 nan 8.310 nan 0.000 0.430 282 E N 1.445 121.422 120.200 -0.372 0.000 2.151 282 E HA 0.255 4.604 4.350 -0.000 0.000 0.275 282 E C -0.561 175.891 176.600 -0.246 0.000 0.936 282 E CA -0.495 55.681 56.400 -0.374 0.000 0.777 282 E CB 1.050 30.432 29.700 -0.531 0.000 1.108 282 E HN 0.503 nan 8.360 nan 0.000 0.401 283 E N 2.096 122.178 120.200 -0.197 0.000 2.109 283 E HA 0.220 4.570 4.350 -0.000 0.000 0.278 283 E C 0.449 176.977 176.600 -0.121 0.000 0.954 283 E CA -0.264 56.057 56.400 -0.132 0.000 0.779 283 E CB 1.170 30.791 29.700 -0.131 0.000 1.093 283 E HN 0.425 nan 8.360 nan 0.000 0.401 284 S N 3.065 118.740 115.700 -0.041 0.000 2.426 284 S HA -0.261 4.209 4.470 -0.000 0.000 0.253 284 S C 1.370 175.988 174.600 0.031 0.000 1.104 284 S CA 1.706 59.933 58.200 0.046 0.000 1.158 284 S CB -0.811 62.466 63.200 0.128 0.000 1.043 284 S HN 0.449 nan 8.310 nan 0.000 0.443 285 V N 2.511 122.434 119.914 0.014 0.000 3.095 285 V HA 0.411 4.531 4.120 -0.000 0.000 0.388 285 V C 1.205 177.258 176.094 -0.069 0.000 1.286 285 V CA -0.162 62.144 62.300 0.010 0.000 1.406 285 V CB -0.798 31.043 31.823 0.030 0.000 1.363 285 V HN 0.600 nan 8.190 nan 0.000 0.532 286 G N 1.246 109.963 108.800 -0.139 0.000 2.369 286 G HA2 0.286 4.246 3.960 -0.000 0.000 0.287 286 G HA3 0.286 4.246 3.960 -0.000 0.000 0.287 286 G C -0.154 174.580 174.900 -0.277 0.000 1.009 286 G CA 0.060 45.031 45.100 -0.216 0.000 1.393 286 G HN 0.550 nan 8.290 nan 0.000 0.432 287 L N 0.753 121.820 121.223 -0.261 0.000 2.629 287 L HA -0.166 4.174 4.340 -0.000 0.000 0.595 287 L C -0.235 176.515 176.870 -0.201 0.000 1.000 287 L CA 0.075 54.701 54.840 -0.357 0.000 1.304 287 L CB -0.463 41.130 42.059 -0.777 0.000 1.841 287 L HN 0.529 nan 8.230 nan 0.000 0.901 288 L N 5.243 126.478 121.223 0.019 0.000 2.292 288 L HA 0.538 4.878 4.340 -0.000 0.000 0.284 288 L C 0.314 177.312 176.870 0.214 0.000 1.065 288 L CA 0.028 54.926 54.840 0.097 0.000 0.806 288 L CB 0.582 42.716 42.059 0.125 0.000 1.175 288 L HN 0.209 nan 8.230 nan 0.000 0.431 289 F N 1.026 121.160 119.950 0.305 0.000 2.553 289 F HA 0.129 4.656 4.527 -0.000 0.000 0.356 289 F C 1.075 176.954 175.800 0.132 0.000 1.142 289 F CA 0.647 58.795 58.000 0.247 0.000 1.322 289 F CB 0.564 39.725 39.000 0.268 0.000 1.126 289 F HN 0.393 nan 8.300 nan 0.000 0.599 290 S N 0.641 116.448 115.700 0.179 0.000 2.473 290 S HA 0.580 5.050 4.470 -0.000 0.000 0.307 290 S C 0.424 175.101 174.600 0.128 0.000 1.094 290 S CA 0.020 58.287 58.200 0.111 0.000 1.070 290 S CB 1.303 64.515 63.200 0.020 0.000 1.019 290 S HN 1.041 nan 8.310 nan 0.000 0.480 291 G N 1.514 110.418 108.800 0.174 0.000 2.175 291 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.182 291 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.182 291 G C 0.049 175.075 174.900 0.210 0.000 1.003 291 G CA -0.115 45.104 45.100 0.199 0.000 0.666 291 G HN 1.255 nan 8.290 nan 0.000 0.506 292 C N 2.235 121.659 119.300 0.206 0.000 2.931 292 C HA 0.510 4.970 4.460 -0.000 0.000 0.380 292 C C 0.714 175.808 174.990 0.173 0.000 0.876 292 C CA 0.344 59.470 59.018 0.181 0.000 1.188 292 C CB -1.098 26.747 27.740 0.174 0.000 1.500 292 C HN 1.353 nan 8.230 nan 0.000 0.597 293 T N 1.404 116.049 114.554 0.151 0.000 2.871 293 T HA 0.486 4.836 4.350 -0.000 0.000 0.296 293 T C 1.219 175.995 174.700 0.127 0.000 0.998 293 T CA 1.246 63.430 62.100 0.140 0.000 1.162 293 T CB 1.211 70.147 68.868 0.113 0.000 0.947 293 T HN 2.248 nan 8.240 nan 0.000 0.536 294 G N 3.424 112.300 108.800 0.127 0.000 1.801 294 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.203 294 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.203 294 G C 0.806 175.770 174.900 0.106 0.000 2.274 294 G CA -0.050 45.114 45.100 0.106 0.000 1.481 294 G HN 0.660 nan 8.290 nan 0.000 0.471 295 I N 2.139 122.768 120.570 0.098 0.000 2.191 295 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 295 I C 2.111 178.351 176.117 0.204 0.000 1.061 295 I CA 2.672 64.022 61.300 0.084 0.000 1.329 295 I CB -1.813 36.229 38.000 0.069 0.000 1.024 295 I HN 0.517 nan 8.210 nan 0.000 0.423 296 N N 0.468 119.319 118.700 0.251 0.000 2.132 296 N HA -0.141 4.599 4.740 -0.000 0.000 0.187 296 N C 1.473 177.094 175.510 0.184 0.000 1.038 296 N CA 1.041 54.247 53.050 0.260 0.000 0.846 296 N CB -0.136 38.487 38.487 0.226 0.000 1.012 296 N HN 0.279 nan 8.380 nan 0.000 0.429 297 D N 0.844 121.329 120.400 0.141 0.000 2.200 297 D HA -0.190 4.450 4.640 -0.000 0.000 0.192 297 D C 1.592 177.952 176.300 0.100 0.000 1.008 297 D CA 1.345 55.410 54.000 0.108 0.000 0.872 297 D CB 0.008 40.862 40.800 0.090 0.000 0.923 297 D HN 0.257 nan 8.370 nan 0.000 0.447 298 K N -0.975 119.487 120.400 0.104 0.000 2.166 298 K HA 0.025 4.345 4.320 -0.000 0.000 0.201 298 K C 1.980 178.650 176.600 0.117 0.000 1.052 298 K CA 1.306 57.645 56.287 0.087 0.000 0.969 298 K CB 0.254 32.791 32.500 0.062 0.000 0.761 298 K HN 0.257 nan 8.250 nan 0.000 0.459 299 T N -1.404 113.250 114.554 0.168 0.000 3.001 299 T HA 0.098 4.448 4.350 -0.000 0.000 0.251 299 T C 0.999 175.871 174.700 0.286 0.000 1.040 299 T CA -0.291 61.942 62.100 0.222 0.000 0.985 299 T CB 0.327 69.348 68.868 0.255 0.000 1.011 299 T HN 0.074 nan 8.240 nan 0.000 0.509 300 L N 0.660 122.035 121.223 0.253 0.000 4.884 300 L HA -0.154 4.186 4.340 -0.000 0.000 0.430 300 L C 0.763 177.754 176.870 0.200 0.000 1.087 300 L CA 1.438 56.428 54.840 0.250 0.000 1.033 300 L CB -1.842 40.429 42.059 0.353 0.000 2.030 300 L HN 1.094 nan 8.230 nan 0.000 0.762 301 G N -1.751 107.190 108.800 0.234 0.000 2.409 301 G HA2 0.337 4.297 3.960 -0.000 0.000 0.421 301 G HA3 0.337 4.297 3.960 -0.000 0.000 0.421 301 G C -0.351 174.565 174.900 0.027 0.000 1.259 301 G CA -0.252 44.905 45.100 0.095 0.000 1.011 301 G HN 1.547 nan 8.290 nan 0.000 0.497 302 A N 0.343 123.002 122.820 -0.268 0.000 2.394 302 A HA 0.771 5.091 4.320 -0.000 0.000 0.333 302 A C 0.554 177.958 177.584 -0.299 0.000 1.397 302 A CA -0.120 51.769 52.037 -0.248 0.000 0.884 302 A CB 0.281 19.028 19.000 -0.421 0.000 1.147 302 A HN 0.710 nan 8.150 nan 0.000 0.505 303 R N 1.106 121.462 120.500 -0.239 0.000 2.539 303 R HA 0.406 4.746 4.340 -0.000 0.000 0.275 303 R C 1.010 177.165 176.300 -0.242 0.000 1.077 303 R CA 0.407 56.336 56.100 -0.284 0.000 1.097 303 R CB 0.992 31.061 30.300 -0.386 0.000 1.018 303 R HN 0.757 nan 8.270 nan 0.000 0.483 304 G N -0.159 108.495 108.800 -0.244 0.000 2.544 304 G HA2 0.339 4.299 3.960 -0.000 0.000 0.242 304 G HA3 0.339 4.299 3.960 -0.000 0.000 0.242 304 G C 0.879 175.683 174.900 -0.160 0.000 1.247 304 G CA 0.199 45.168 45.100 -0.218 0.000 0.840 304 G HN 0.738 nan 8.290 nan 0.000 0.578 305 G N 0.180 108.884 108.800 -0.159 0.000 2.304 305 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 305 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 305 G C 0.507 175.352 174.900 -0.091 0.000 1.014 305 G CA 0.686 45.713 45.100 -0.122 0.000 0.619 305 G HN 0.806 nan 8.290 nan 0.000 0.525 306 E N -0.433 119.714 120.200 -0.088 0.000 2.435 306 E HA 0.402 4.752 4.350 -0.000 0.000 0.256 306 E C -0.345 176.241 176.600 -0.023 0.000 1.245 306 E CA 0.243 56.617 56.400 -0.044 0.000 0.989 306 E CB 1.355 31.034 29.700 -0.036 0.000 0.983 306 E HN 0.182 nan 8.360 nan 0.000 0.480 307 V N 3.064 122.991 119.914 0.021 0.000 2.385 307 V HA 0.131 4.251 4.120 -0.000 0.000 0.277 307 V C -0.430 175.716 176.094 0.087 0.000 1.012 307 V CA -0.543 61.785 62.300 0.047 0.000 0.832 307 V CB 0.805 32.655 31.823 0.046 0.000 1.028 307 V HN 0.431 nan 8.190 nan 0.000 0.436 308 I N 5.219 125.866 120.570 0.130 0.000 2.529 308 I HA 0.306 4.476 4.170 -0.000 0.000 0.284 308 I C 0.096 176.307 176.117 0.157 0.000 1.082 308 I CA 0.189 61.602 61.300 0.189 0.000 1.406 308 I CB 1.113 39.315 38.000 0.338 0.000 1.405 308 I HN 0.647 nan 8.210 nan 0.000 0.548 309 M N 7.453 127.126 119.600 0.122 0.000 2.085 309 M HA 0.435 4.915 4.480 -0.000 0.000 0.309 309 M C -1.554 174.791 176.300 0.074 0.000 0.947 309 M CA -0.423 54.935 55.300 0.097 0.000 0.918 309 M CB 1.319 33.962 32.600 0.071 0.000 1.504 309 M HN 0.250 nan 8.290 nan 0.000 0.420 310 V N 3.860 123.830 119.914 0.093 0.000 2.432 310 V HA 0.634 4.754 4.120 -0.000 0.000 0.275 310 V C 0.160 176.276 176.094 0.038 0.000 1.043 310 V CA -0.269 62.065 62.300 0.057 0.000 0.925 310 V CB 1.190 33.090 31.823 0.127 0.000 0.985 310 V HN 0.911 nan 8.190 nan 0.000 0.466 311 T N 3.040 117.586 114.554 -0.013 0.000 2.883 311 T HA 0.814 5.164 4.350 -0.000 0.000 0.301 311 T C -0.763 173.900 174.700 -0.062 0.000 1.158 311 T CA 0.286 62.382 62.100 -0.006 0.000 1.007 311 T CB 1.741 70.611 68.868 0.004 0.000 1.186 311 T HN 1.219 nan 8.240 nan 0.000 0.499 312 S N 0.703 116.356 115.700 -0.078 0.000 2.690 312 S HA 0.561 5.031 4.470 -0.000 0.000 0.264 312 S C 0.590 175.071 174.600 -0.198 0.000 1.040 312 S CA -0.535 57.602 58.200 -0.106 0.000 0.869 312 S CB -0.019 63.103 63.200 -0.130 0.000 1.132 312 S HN 1.210 nan 8.310 nan 0.000 0.474 313 G N 1.035 109.755 108.800 -0.133 0.000 2.224 313 G HA2 0.210 4.170 3.960 -0.000 0.000 0.357 313 G HA3 0.210 4.170 3.960 -0.000 0.000 0.357 313 G C 1.153 175.824 174.900 -0.381 0.000 1.436 313 G CA 0.494 45.405 45.100 -0.314 0.000 1.070 313 G HN 1.410 nan 8.290 nan 0.000 0.556 314 S N -0.228 115.295 115.700 -0.295 0.000 2.462 314 S HA -0.030 4.439 4.470 -0.000 0.000 0.243 314 S C 1.775 176.188 174.600 -0.312 0.000 1.003 314 S CA 1.188 59.215 58.200 -0.289 0.000 0.970 314 S CB -1.186 61.912 63.200 -0.171 0.000 0.762 314 S HN 1.361 nan 8.310 nan 0.000 0.510 315 G N 2.701 111.338 108.800 -0.270 0.000 2.930 315 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.322 315 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.322 315 G C 0.621 175.380 174.900 -0.234 0.000 0.250 315 G CA 0.736 45.692 45.100 -0.240 0.000 1.215 315 G HN 0.550 nan 8.290 nan 0.000 0.231 316 M N 3.587 123.070 119.600 -0.195 0.000 2.394 316 M HA -0.063 4.417 4.480 -0.000 0.000 0.266 316 M C 2.215 178.430 176.300 -0.142 0.000 1.098 316 M CA 1.660 56.872 55.300 -0.147 0.000 1.149 316 M CB -0.688 31.824 32.600 -0.148 0.000 1.369 316 M HN 0.378 nan 8.290 nan 0.000 0.450 317 V N 1.606 121.397 119.914 -0.205 0.000 2.285 317 V HA -0.399 3.721 4.120 -0.000 0.000 0.260 317 V C 2.784 178.847 176.094 -0.053 0.000 1.089 317 V CA 2.833 65.041 62.300 -0.154 0.000 1.082 317 V CB -1.535 30.185 31.823 -0.172 0.000 0.681 317 V HN 0.645 nan 8.190 nan 0.000 0.452 318 M N -0.178 119.376 119.600 -0.077 0.000 2.077 318 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 318 M C 2.390 178.723 176.300 0.055 0.000 1.070 318 M CA 2.305 57.597 55.300 -0.014 0.000 1.125 318 M CB -0.214 32.348 32.600 -0.063 0.000 1.339 318 M HN 0.441 nan 8.290 nan 0.000 0.409 319 S N -0.384 115.324 115.700 0.013 0.000 2.500 319 S HA -0.097 4.372 4.470 -0.000 0.000 0.239 319 S C 1.491 176.087 174.600 -0.005 0.000 0.989 319 S CA 1.540 59.753 58.200 0.020 0.000 0.951 319 S CB -0.222 62.986 63.200 0.013 0.000 0.759 319 S HN 0.580 nan 8.310 nan 0.000 0.523 320 T N 0.370 114.921 114.554 -0.004 0.000 2.866 320 T HA 0.102 4.452 4.350 -0.000 0.000 0.250 320 T C 1.280 175.948 174.700 -0.053 0.000 1.033 320 T CA 0.679 62.753 62.100 -0.045 0.000 1.145 320 T CB -0.448 68.427 68.868 0.011 0.000 0.866 320 T HN 0.506 nan 8.240 nan 0.000 0.434 321 F N 2.303 122.193 119.950 -0.101 0.000 2.065 321 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 321 F C 2.209 177.941 175.800 -0.114 0.000 1.112 321 F CA 1.217 59.159 58.000 -0.097 0.000 1.212 321 F CB -0.539 38.418 39.000 -0.072 0.000 0.975 321 F HN -0.115 nan 8.300 nan 0.000 0.476 322 V N 0.556 120.469 119.914 -0.002 0.000 2.287 322 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 322 V C 2.504 178.463 176.094 -0.225 0.000 1.053 322 V CA 2.392 64.633 62.300 -0.099 0.000 1.027 322 V CB -0.795 31.059 31.823 0.050 0.000 0.646 322 V HN 0.289 nan 8.190 nan 0.000 0.447 323 R N -0.532 119.860 120.500 -0.180 0.000 2.083 323 R HA -0.233 4.106 4.340 -0.000 0.000 0.237 323 R C 2.475 178.575 176.300 -0.332 0.000 1.137 323 R CA 2.085 58.062 56.100 -0.204 0.000 0.951 323 R CB -0.343 29.848 30.300 -0.181 0.000 0.851 323 R HN 0.585 nan 8.270 nan 0.000 0.434 324 Q N -0.268 119.263 119.800 -0.449 0.000 2.014 324 Q HA -0.285 4.055 4.340 -0.000 0.000 0.207 324 Q C 2.153 177.836 176.000 -0.528 0.000 0.993 324 Q CA 2.149 57.610 55.803 -0.571 0.000 0.850 324 Q CB -0.019 28.372 28.738 -0.580 0.000 0.916 324 Q HN 0.250 nan 8.270 nan 0.000 0.417 325 Q N -0.234 119.145 119.800 -0.701 0.000 2.077 325 Q HA -0.218 4.122 4.340 -0.000 0.000 0.206 325 Q C 1.872 177.285 176.000 -0.977 0.000 0.989 325 Q CA 1.964 57.141 55.803 -1.043 0.000 0.853 325 Q CB -0.567 27.430 28.738 -1.235 0.000 0.907 325 Q HN 0.509 nan 8.270 nan 0.000 0.418 326 A N 0.469 123.001 122.820 -0.480 0.000 1.884 326 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 326 A C 2.024 179.672 177.584 0.106 0.000 1.197 326 A CA 1.725 53.741 52.037 -0.034 0.000 0.637 326 A CB -1.126 17.907 19.000 0.055 0.000 0.827 326 A HN 0.459 nan 8.150 nan 0.000 0.450 327 L N -0.668 120.528 121.223 -0.045 0.000 1.941 327 L HA -0.336 4.003 4.340 -0.000 0.000 0.224 327 L C 3.070 179.995 176.870 0.092 0.000 1.081 327 L CA 2.789 57.641 54.840 0.019 0.000 0.784 327 L CB -0.741 41.246 42.059 -0.120 0.000 0.894 327 L HN 0.794 nan 8.230 nan 0.000 0.436 328 Q N -1.038 118.732 119.800 -0.049 0.000 2.170 328 Q HA -0.241 4.099 4.340 -0.000 0.000 0.203 328 Q C 1.836 177.909 176.000 0.122 0.000 0.976 328 Q CA 1.892 57.707 55.803 0.020 0.000 0.858 328 Q CB -0.433 28.292 28.738 -0.021 0.000 0.907 328 Q HN 0.475 nan 8.270 nan 0.000 0.433 329 W N 0.083 121.388 121.300 0.007 0.000 2.467 329 W HA 0.283 4.942 4.660 -0.000 0.000 0.275 329 W C 1.897 178.361 176.519 -0.092 0.000 1.239 329 W CA 0.937 58.252 57.345 -0.050 0.000 1.266 329 W CB -0.773 28.644 29.460 -0.071 0.000 1.112 329 W HN 0.391 nan 8.180 nan 0.000 0.576 330 G N -0.988 107.891 108.800 0.133 0.000 3.284 330 G HA2 0.118 4.078 3.960 -0.000 0.000 0.236 330 G HA3 0.118 4.078 3.960 -0.000 0.000 0.236 330 G C 0.990 175.828 174.900 -0.104 0.000 1.158 330 G CA 1.272 46.228 45.100 -0.240 0.000 0.774 330 G HN 0.251 nan 8.290 nan 0.000 0.545 331 T N -4.418 110.169 114.554 0.055 0.000 3.602 331 T HA 0.366 4.716 4.350 -0.000 0.000 0.287 331 T C 2.350 177.086 174.700 0.060 0.000 0.967 331 T CA 1.215 63.350 62.100 0.059 0.000 1.111 331 T CB -0.234 68.679 68.868 0.075 0.000 1.156 331 T HN 0.150 nan 8.240 nan 0.000 0.470 332 A N 2.917 125.789 122.820 0.087 0.000 1.841 332 A HA 0.342 4.662 4.320 -0.000 0.000 0.214 332 A C 1.398 179.017 177.584 0.059 0.000 1.195 332 A CA 0.897 52.980 52.037 0.077 0.000 0.611 332 A CB -0.700 18.355 19.000 0.092 0.000 0.835 332 A HN 0.528 nan 8.150 nan 0.000 0.443 333 M N -0.884 118.764 119.600 0.079 0.000 2.228 333 M HA 0.295 4.774 4.480 -0.000 0.000 0.326 333 M C 1.485 177.789 176.300 0.007 0.000 1.122 333 M CA 0.302 55.630 55.300 0.046 0.000 1.161 333 M CB -0.398 32.244 32.600 0.071 0.000 1.437 333 M HN 0.228 nan 8.290 nan 0.000 0.465 334 G N 1.094 109.879 108.800 -0.027 0.000 2.572 334 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.216 334 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.216 334 G C 0.639 175.495 174.900 -0.073 0.000 1.133 334 G CA 0.000 45.073 45.100 -0.045 0.000 0.791 334 G HN 0.537 nan 8.290 nan 0.000 0.538 335 K N 1.212 121.564 120.400 -0.081 0.000 2.489 335 K HA 0.069 4.389 4.320 -0.000 0.000 0.278 335 K C -0.034 176.485 176.600 -0.134 0.000 1.000 335 K CA 0.178 56.397 56.287 -0.113 0.000 1.012 335 K CB 0.956 33.366 32.500 -0.150 0.000 0.903 335 K HN 0.103 nan 8.250 nan 0.000 0.485 336 K N 2.182 122.508 120.400 -0.124 0.000 2.349 336 K HA 0.127 4.447 4.320 -0.000 0.000 0.289 336 K C -0.435 176.119 176.600 -0.077 0.000 1.064 336 K CA -0.279 55.942 56.287 -0.110 0.000 0.947 336 K CB 0.708 33.170 32.500 -0.062 0.000 1.007 336 K HN 0.232 nan 8.250 nan 0.000 0.478 337 V N 2.643 122.491 119.914 -0.110 0.000 2.481 337 V HA 0.392 4.512 4.120 -0.000 0.000 0.286 337 V C 0.637 176.827 176.094 0.159 0.000 1.042 337 V CA -0.698 61.633 62.300 0.051 0.000 0.928 337 V CB 1.641 33.543 31.823 0.131 0.000 0.986 337 V HN 0.894 nan 8.190 nan 0.000 0.462 338 G N 4.410 113.311 108.800 0.169 0.000 2.415 338 G HA2 0.720 4.680 3.960 -0.000 0.000 0.327 338 G HA3 0.720 4.680 3.960 -0.000 0.000 0.327 338 G C -1.229 173.797 174.900 0.210 0.000 1.182 338 G CA -0.579 44.645 45.100 0.207 0.000 0.924 338 G HN 0.584 nan 8.290 nan 0.000 0.470 339 L N 1.341 122.696 121.223 0.221 0.000 2.362 339 L HA 0.691 5.031 4.340 -0.000 0.000 0.275 339 L C 0.170 177.145 176.870 0.175 0.000 0.998 339 L CA -1.054 53.898 54.840 0.187 0.000 0.820 339 L CB 2.492 44.661 42.059 0.183 0.000 1.270 339 L HN 0.602 nan 8.230 nan 0.000 0.415 340 A N 3.939 126.828 122.820 0.115 0.000 2.508 340 A HA 0.641 4.961 4.320 -0.000 0.000 0.336 340 A C -0.444 177.149 177.584 0.015 0.000 1.360 340 A CA -0.421 51.639 52.037 0.040 0.000 0.841 340 A CB 0.415 19.338 19.000 -0.129 0.000 1.136 340 A HN 0.615 nan 8.150 nan 0.000 0.489 341 M N 3.501 123.141 119.600 0.066 0.000 2.923 341 M HA 0.283 4.763 4.480 -0.000 0.000 0.311 341 M C 0.783 177.107 176.300 0.041 0.000 1.376 341 M CA -0.687 54.646 55.300 0.056 0.000 1.468 341 M CB -0.217 32.428 32.600 0.074 0.000 1.151 341 M HN 0.677 nan 8.290 nan 0.000 0.517 342 L N 0.351 121.567 121.223 -0.011 0.000 2.275 342 L HA -0.132 4.208 4.340 -0.000 0.000 0.215 342 L C 1.830 178.703 176.870 0.005 0.000 1.119 342 L CA 0.656 55.476 54.840 -0.033 0.000 0.790 342 L CB -0.383 41.608 42.059 -0.114 0.000 0.919 342 L HN 0.562 nan 8.230 nan 0.000 0.443 343 E N 0.749 120.965 120.200 0.027 0.000 2.046 343 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 343 E C 0.840 177.464 176.600 0.040 0.000 0.982 343 E CA 0.692 57.116 56.400 0.041 0.000 0.800 343 E CB 0.175 29.927 29.700 0.088 0.000 0.756 343 E HN 0.652 nan 8.360 nan 0.000 0.449 344 E N 0.041 120.271 120.200 0.051 0.000 2.264 344 E HA 0.376 4.726 4.350 -0.000 0.000 0.260 344 E C -0.049 176.589 176.600 0.064 0.000 0.961 344 E CA -0.657 55.774 56.400 0.051 0.000 0.834 344 E CB 1.289 31.020 29.700 0.051 0.000 1.230 344 E HN -0.073 nan 8.360 nan 0.000 0.412 345 S N -0.028 115.709 115.700 0.060 0.000 2.606 345 S HA -0.009 4.461 4.470 -0.000 0.000 0.257 345 S C 0.953 175.601 174.600 0.080 0.000 1.327 345 S CA -0.176 58.066 58.200 0.070 0.000 0.984 345 S CB 1.309 64.544 63.200 0.059 0.000 0.941 345 S HN 0.520 nan 8.310 nan 0.000 0.576 346 V N 1.255 121.218 119.914 0.082 0.000 2.535 346 V HA -0.045 4.075 4.120 -0.000 0.000 0.246 346 V C 2.559 178.695 176.094 0.070 0.000 1.045 346 V CA 1.793 64.140 62.300 0.079 0.000 1.058 346 V CB -1.026 30.840 31.823 0.073 0.000 0.689 346 V HN 0.947 nan 8.190 nan 0.000 0.461 347 E N -0.033 120.211 120.200 0.074 0.000 2.058 347 E HA -0.311 4.039 4.350 -0.000 0.000 0.194 347 E C 1.938 178.598 176.600 0.100 0.000 0.997 347 E CA 1.845 58.300 56.400 0.092 0.000 0.801 347 E CB -0.568 29.182 29.700 0.083 0.000 0.746 347 E HN 0.736 nan 8.360 nan 0.000 0.450 348 E N 0.553 120.802 120.200 0.081 0.000 2.049 348 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 348 E C 2.364 179.011 176.600 0.079 0.000 1.007 348 E CA 2.281 58.727 56.400 0.077 0.000 0.809 348 E CB -0.312 29.424 29.700 0.061 0.000 0.749 348 E HN 0.494 nan 8.360 nan 0.000 0.450 349 T N -0.251 114.346 114.554 0.072 0.000 2.708 349 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 349 T C 2.068 176.811 174.700 0.072 0.000 1.037 349 T CA 1.605 63.741 62.100 0.060 0.000 1.146 349 T CB -0.321 68.583 68.868 0.059 0.000 0.865 349 T HN 0.185 nan 8.240 nan 0.000 0.435 350 A N 1.971 124.849 122.820 0.098 0.000 1.915 350 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 350 A C 2.257 179.975 177.584 0.224 0.000 1.198 350 A CA 2.324 54.468 52.037 0.178 0.000 0.647 350 A CB -1.024 18.055 19.000 0.132 0.000 0.825 350 A HN 0.813 nan 8.150 nan 0.000 0.456 351 E N -0.464 119.853 120.200 0.195 0.000 2.058 351 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 351 E C 1.617 178.286 176.600 0.116 0.000 0.997 351 E CA 1.128 57.646 56.400 0.195 0.000 0.801 351 E CB -0.337 29.466 29.700 0.173 0.000 0.746 351 E HN 0.557 nan 8.360 nan 0.000 0.450 352 D N 0.844 121.286 120.400 0.071 0.000 2.182 352 D HA -0.138 4.501 4.640 -0.000 0.000 0.201 352 D C 2.064 178.338 176.300 -0.043 0.000 0.986 352 D CA 0.741 54.752 54.000 0.017 0.000 0.847 352 D CB -0.055 40.748 40.800 0.004 0.000 0.942 352 D HN 0.143 nan 8.370 nan 0.000 0.467 353 L N 0.462 121.650 121.223 -0.059 0.000 1.948 353 L HA -0.161 4.178 4.340 -0.000 0.000 0.212 353 L C 2.627 179.381 176.870 -0.195 0.000 1.074 353 L CA 0.768 55.498 54.840 -0.183 0.000 0.753 353 L CB -0.492 41.418 42.059 -0.249 0.000 0.888 353 L HN -0.004 nan 8.230 nan 0.000 0.432 354 I N 0.032 120.487 120.570 -0.192 0.000 2.141 354 I HA -0.397 3.772 4.170 -0.000 0.000 0.243 354 I C 2.517 178.590 176.117 -0.073 0.000 1.035 354 I CA 1.903 63.127 61.300 -0.126 0.000 1.302 354 I CB -0.991 37.062 38.000 0.089 0.000 1.006 354 I HN 0.437 nan 8.210 nan 0.000 0.413 355 G N 0.368 109.174 108.800 0.010 0.000 2.446 355 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 355 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 355 G C 1.551 176.431 174.900 -0.034 0.000 1.168 355 G CA 0.664 45.770 45.100 0.010 0.000 0.771 355 G HN 0.253 nan 8.290 nan 0.000 0.551 356 L N 0.186 121.385 121.223 -0.039 0.000 2.093 356 L HA 0.011 4.350 4.340 -0.000 0.000 0.208 356 L C 2.335 179.310 176.870 0.175 0.000 1.085 356 L CA 2.018 56.838 54.840 -0.033 0.000 0.755 356 L CB -0.940 40.961 42.059 -0.263 0.000 0.904 356 L HN 0.498 nan 8.230 nan 0.000 0.435 357 H N -1.128 117.890 119.070 -0.087 0.000 2.462 357 H HA -0.032 4.524 4.556 -0.000 0.000 0.292 357 H C 0.772 176.001 175.328 -0.164 0.000 1.049 357 H CA 1.241 57.243 56.048 -0.077 0.000 1.334 357 H CB 0.415 30.024 29.762 -0.256 0.000 1.404 357 H HN 0.386 nan 8.280 nan 0.000 0.544 358 N N 0.651 119.128 118.700 -0.372 0.000 2.268 358 N HA 0.015 4.754 4.740 -0.000 0.000 0.204 358 N C -0.291 175.023 175.510 -0.327 0.000 1.124 358 N CA -0.169 52.508 53.050 -0.621 0.000 0.838 358 N CB 0.338 38.044 38.487 -1.302 0.000 0.994 358 N HN 0.125 nan 8.380 nan 0.000 0.489 359 R N -0.787 119.666 120.500 -0.078 0.000 3.405 359 R HA -0.131 4.209 4.340 -0.000 0.000 0.258 359 R C -0.765 175.532 176.300 -0.006 0.000 1.030 359 R CA 0.556 56.662 56.100 0.009 0.000 0.691 359 R CB -3.115 27.076 30.300 -0.183 0.000 1.093 359 R HN 0.224 nan 8.270 nan 0.000 0.448 360 V N -3.265 116.655 119.914 0.009 0.000 2.888 360 V HA 0.612 4.732 4.120 -0.000 0.000 0.309 360 V C 0.498 176.633 176.094 0.069 0.000 1.114 360 V CA -1.359 60.967 62.300 0.043 0.000 0.940 360 V CB 2.812 34.679 31.823 0.074 0.000 1.021 360 V HN 0.108 nan 8.190 nan 0.000 0.426 361 R N 3.246 123.790 120.500 0.074 0.000 3.268 361 R HA 0.217 4.557 4.340 -0.000 0.000 0.217 361 R C 0.645 177.002 176.300 0.096 0.000 1.568 361 R CA -0.347 55.798 56.100 0.076 0.000 1.322 361 R CB 0.193 30.533 30.300 0.066 0.000 1.280 361 R HN 0.847 nan 8.270 nan 0.000 0.667 362 L N 3.370 124.662 121.223 0.115 0.000 1.961 362 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 362 L C 2.194 179.139 176.870 0.124 0.000 1.072 362 L CA 1.881 56.814 54.840 0.156 0.000 0.749 362 L CB -0.241 41.945 42.059 0.212 0.000 0.889 362 L HN 0.386 nan 8.230 nan 0.000 0.432 363 R N -0.777 119.785 120.500 0.104 0.000 2.115 363 R HA -0.138 4.202 4.340 -0.000 0.000 0.230 363 R C 1.580 177.921 176.300 0.068 0.000 1.111 363 R CA 1.112 57.262 56.100 0.084 0.000 0.976 363 R CB -0.817 29.527 30.300 0.073 0.000 0.870 363 R HN 0.439 nan 8.270 nan 0.000 0.445 364 Q N 1.395 121.236 119.800 0.068 0.000 2.408 364 Q HA 0.082 4.422 4.340 -0.000 0.000 0.214 364 Q C -0.237 175.796 176.000 0.056 0.000 0.957 364 Q CA 0.265 56.104 55.803 0.059 0.000 0.965 364 Q CB 0.486 29.262 28.738 0.063 0.000 0.991 364 Q HN 0.153 nan 8.270 nan 0.000 0.505 365 S N -0.514 115.221 115.700 0.059 0.000 2.446 365 S HA 0.100 4.570 4.470 -0.000 0.000 0.230 365 S C -0.043 174.586 174.600 0.048 0.000 1.051 365 S CA -0.686 57.547 58.200 0.054 0.000 1.113 365 S CB 0.661 63.900 63.200 0.065 0.000 1.184 365 S HN 0.215 nan 8.310 nan 0.000 0.435 366 D N 3.915 124.336 120.400 0.035 0.000 2.127 366 D HA -0.194 4.446 4.640 -0.000 0.000 0.190 366 D C 2.028 178.341 176.300 0.022 0.000 1.000 366 D CA 2.847 56.861 54.000 0.024 0.000 0.839 366 D CB -0.268 40.543 40.800 0.018 0.000 0.955 366 D HN 0.643 nan 8.370 nan 0.000 0.446 367 S N 0.171 115.886 115.700 0.024 0.000 2.353 367 S HA -0.187 4.283 4.470 -0.000 0.000 0.222 367 S C 2.399 177.012 174.600 0.022 0.000 1.035 367 S CA 1.216 59.428 58.200 0.020 0.000 1.025 367 S CB -0.994 62.220 63.200 0.022 0.000 0.902 367 S HN 0.428 nan 8.310 nan 0.000 0.440 368 L N 0.945 122.193 121.223 0.041 0.000 2.083 368 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 368 L C 2.593 179.489 176.870 0.044 0.000 1.083 368 L CA 1.785 56.657 54.840 0.055 0.000 0.752 368 L CB -0.525 41.594 42.059 0.101 0.000 0.899 368 L HN 0.337 nan 8.230 nan 0.000 0.433 369 K N -0.216 120.214 120.400 0.049 0.000 1.987 369 K HA -0.266 4.054 4.320 -0.000 0.000 0.216 369 K C 2.240 178.831 176.600 -0.014 0.000 1.051 369 K CA 2.135 58.440 56.287 0.031 0.000 0.942 369 K CB -0.403 32.112 32.500 0.025 0.000 0.722 369 K HN 0.224 nan 8.250 nan 0.000 0.444 370 R N 1.481 121.971 120.500 -0.017 0.000 2.094 370 R HA -0.235 4.105 4.340 -0.000 0.000 0.239 370 R C 1.790 178.066 176.300 -0.041 0.000 1.137 370 R CA 1.951 58.031 56.100 -0.033 0.000 0.943 370 R CB -0.594 29.694 30.300 -0.021 0.000 0.850 370 R HN 0.303 nan 8.270 nan 0.000 0.433 371 E N 0.879 121.060 120.200 -0.031 0.000 2.048 371 E HA -0.226 4.124 4.350 -0.000 0.000 0.202 371 E C 2.081 178.633 176.600 -0.079 0.000 1.021 371 E CA 2.245 58.619 56.400 -0.043 0.000 0.825 371 E CB -0.349 29.335 29.700 -0.027 0.000 0.756 371 E HN 0.682 nan 8.360 nan 0.000 0.454 372 I N -1.370 119.134 120.570 -0.110 0.000 2.928 372 I HA -0.138 4.032 4.170 -0.000 0.000 0.266 372 I C 1.979 178.043 176.117 -0.088 0.000 1.234 372 I CA 0.522 61.709 61.300 -0.189 0.000 1.483 372 I CB -0.144 37.630 38.000 -0.377 0.000 1.097 372 I HN -0.021 nan 8.210 nan 0.000 0.455 373 I N 2.133 122.658 120.570 -0.076 0.000 2.202 373 I HA -0.194 3.975 4.170 -0.000 0.000 0.242 373 I C 2.494 178.573 176.117 -0.062 0.000 1.091 373 I CA 1.676 62.919 61.300 -0.095 0.000 1.368 373 I CB -1.034 36.880 38.000 -0.144 0.000 1.058 373 I HN 0.409 nan 8.210 nan 0.000 0.410 374 E N 1.193 121.357 120.200 -0.061 0.000 2.051 374 E HA -0.161 4.189 4.350 -0.000 0.000 0.189 374 E C 1.328 177.902 176.600 -0.044 0.000 0.979 374 E CA 1.014 57.386 56.400 -0.047 0.000 0.803 374 E CB -0.285 29.390 29.700 -0.042 0.000 0.761 374 E HN 0.520 nan 8.360 nan 0.000 0.451 375 N N 0.371 119.036 118.700 -0.059 0.000 2.485 375 N HA -0.009 4.731 4.740 -0.000 0.000 0.199 375 N C 1.093 176.561 175.510 -0.070 0.000 1.236 375 N CA 0.929 53.942 53.050 -0.062 0.000 0.852 375 N CB 0.254 38.698 38.487 -0.071 0.000 1.018 375 N HN 0.254 nan 8.380 nan 0.000 0.457 376 G N 0.653 109.422 108.800 -0.053 0.000 2.257 376 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.267 376 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.267 376 G C 1.076 175.926 174.900 -0.082 0.000 0.984 376 G CA 0.725 45.804 45.100 -0.035 0.000 0.626 376 G HN 0.492 nan 8.290 nan 0.000 0.540 377 K N -0.680 119.601 120.400 -0.198 0.000 2.209 377 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 377 K C 2.077 178.364 176.600 -0.523 0.000 1.048 377 K CA 1.423 57.439 56.287 -0.452 0.000 0.940 377 K CB -0.207 31.866 32.500 -0.713 0.000 0.729 377 K HN 0.526 nan 8.250 nan 0.000 0.451 378 F N 2.875 122.602 119.950 -0.373 0.000 2.051 378 F HA -0.225 4.302 4.527 -0.000 0.000 0.296 378 F C 1.803 177.629 175.800 0.044 0.000 1.122 378 F CA 1.654 59.563 58.000 -0.152 0.000 1.201 378 F CB -0.260 38.698 39.000 -0.071 0.000 0.978 378 F HN -0.006 nan 8.300 nan 0.000 0.472 379 D N -0.077 120.321 120.400 -0.003 0.000 2.221 379 D HA -0.233 4.406 4.640 -0.000 0.000 0.204 379 D C 2.101 178.381 176.300 -0.033 0.000 0.982 379 D CA 1.397 55.345 54.000 -0.085 0.000 0.857 379 D CB -0.315 40.523 40.800 0.064 0.000 0.934 379 D HN 0.557 nan 8.370 nan 0.000 0.475 380 Q N -0.494 119.299 119.800 -0.013 0.000 2.020 380 Q HA -0.134 4.206 4.340 -0.000 0.000 0.198 380 Q C 2.043 178.160 176.000 0.195 0.000 0.974 380 Q CA 0.876 56.721 55.803 0.070 0.000 0.829 380 Q CB 0.012 28.772 28.738 0.036 0.000 0.894 380 Q HN 0.213 nan 8.270 nan 0.000 0.433 381 W N 0.115 121.399 121.300 -0.027 0.000 2.363 381 W HA -0.164 4.496 4.660 -0.000 0.000 0.296 381 W C 2.059 178.529 176.519 -0.083 0.000 1.212 381 W CA 0.612 57.935 57.345 -0.036 0.000 1.260 381 W CB -1.105 28.338 29.460 -0.028 0.000 1.131 381 W HN 0.266 nan 8.180 nan 0.000 0.530 382 F N 1.592 121.501 119.950 -0.069 0.000 2.084 382 F HA -0.246 4.281 4.527 -0.000 0.000 0.296 382 F C 2.118 177.912 175.800 -0.010 0.000 1.111 382 F CA 2.259 60.168 58.000 -0.153 0.000 1.224 382 F CB -0.435 38.279 39.000 -0.476 0.000 0.991 382 F HN -0.313 nan 8.300 nan 0.000 0.471 383 D N 0.546 121.164 120.400 0.363 0.000 2.103 383 D HA -0.213 4.427 4.640 -0.000 0.000 0.190 383 D C 2.211 178.570 176.300 0.098 0.000 0.997 383 D CA 1.511 55.663 54.000 0.252 0.000 0.833 383 D CB -0.639 40.275 40.800 0.190 0.000 0.961 383 D HN 0.307 nan 8.370 nan 0.000 0.447 384 E N 0.113 120.368 120.200 0.091 0.000 2.108 384 E HA -0.210 4.140 4.350 -0.000 0.000 0.203 384 E C 2.199 178.776 176.600 -0.037 0.000 1.022 384 E CA 0.823 57.261 56.400 0.063 0.000 0.823 384 E CB -0.376 29.398 29.700 0.124 0.000 0.744 384 E HN 0.266 nan 8.360 nan 0.000 0.456 385 L N -1.054 120.042 121.223 -0.212 0.000 2.145 385 L HA 0.012 4.352 4.340 -0.000 0.000 0.201 385 L C 2.039 178.677 176.870 -0.387 0.000 1.075 385 L CA 1.472 55.993 54.840 -0.532 0.000 0.773 385 L CB -0.394 41.084 42.059 -0.968 0.000 0.936 385 L HN -0.068 nan 8.230 nan 0.000 0.451 386 F N 0.241 120.032 119.950 -0.265 0.000 2.619 386 F HA 0.352 4.879 4.527 -0.000 0.000 0.293 386 F C 2.186 177.924 175.800 -0.103 0.000 1.119 386 F CA 0.255 58.105 58.000 -0.249 0.000 1.445 386 F CB -0.924 37.666 39.000 -0.682 0.000 1.119 386 F HN 0.170 nan 8.300 nan 0.000 0.573 387 G N -0.140 108.729 108.800 0.115 0.000 3.414 387 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.258 387 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.258 387 G C 0.645 175.598 174.900 0.088 0.000 1.348 387 G CA -0.058 45.116 45.100 0.123 0.000 1.319 387 G HN 0.305 nan 8.290 nan 0.000 0.555 388 N N 0.587 119.335 118.700 0.079 0.000 2.451 388 N HA 0.038 4.778 4.740 -0.000 0.000 0.271 388 N C -0.313 175.222 175.510 0.042 0.000 1.410 388 N CA -0.331 52.749 53.050 0.050 0.000 0.884 388 N CB 0.480 38.986 38.487 0.031 0.000 1.332 388 N HN 0.090 nan 8.380 nan 0.000 0.498 389 D N 0.731 121.162 120.400 0.051 0.000 2.764 389 D HA -0.200 4.440 4.640 -0.000 0.000 0.223 389 D C 0.945 177.291 176.300 0.077 0.000 1.207 389 D CA 1.061 55.088 54.000 0.045 0.000 0.614 389 D CB -0.566 40.304 40.800 0.117 0.000 1.007 389 D HN 0.351 nan 8.370 nan 0.000 0.407 390 T N -1.780 112.740 114.554 -0.056 0.000 2.999 390 T HA 0.197 4.547 4.350 -0.000 0.000 0.247 390 T C 0.487 174.963 174.700 -0.374 0.000 1.012 390 T CA -0.145 61.859 62.100 -0.161 0.000 1.048 390 T CB 0.011 68.721 68.868 -0.262 0.000 1.020 390 T HN 0.090 nan 8.240 nan 0.000 0.478 391 F N 2.939 122.829 119.950 -0.100 0.000 2.394 391 F HA 0.563 5.089 4.527 -0.000 0.000 0.340 391 F C 0.610 176.103 175.800 -0.511 0.000 1.105 391 F CA -0.736 57.207 58.000 -0.095 0.000 1.124 391 F CB 0.884 39.924 39.000 0.066 0.000 1.145 391 F HN 0.185 nan 8.300 nan 0.000 0.505 392 H N 3.869 123.039 119.070 0.167 0.000 2.954 392 H HA 0.510 5.066 4.556 -0.000 0.000 0.361 392 H C -1.415 173.990 175.328 0.128 0.000 1.122 392 H CA -0.851 55.260 56.048 0.104 0.000 1.217 392 H CB 2.194 32.001 29.762 0.076 0.000 1.776 392 H HN 0.413 nan 8.280 nan 0.000 0.533 393 L N 2.462 123.807 121.223 0.203 0.000 2.362 393 L HA 0.209 4.549 4.340 -0.000 0.000 0.275 393 L C -0.373 176.626 176.870 0.215 0.000 0.998 393 L CA -0.954 54.002 54.840 0.193 0.000 0.820 393 L CB 1.253 43.388 42.059 0.127 0.000 1.270 393 L HN 0.483 nan 8.230 nan 0.000 0.415 394 Y N 2.536 122.898 120.300 0.104 0.000 2.544 394 Y HA 0.282 4.832 4.550 -0.000 0.000 0.330 394 Y C -0.169 175.772 175.900 0.068 0.000 1.136 394 Y CA -0.522 57.627 58.100 0.082 0.000 1.417 394 Y CB 0.492 38.996 38.460 0.073 0.000 1.229 394 Y HN 0.707 nan 8.280 nan 0.000 0.532 395 D N 3.984 124.324 120.400 -0.100 0.000 2.391 395 D HA 0.330 4.970 4.640 -0.000 0.000 0.245 395 D C -0.502 175.725 176.300 -0.121 0.000 1.069 395 D CA -0.492 53.519 54.000 0.017 0.000 0.831 395 D CB 2.007 42.811 40.800 0.007 0.000 1.204 395 D HN 0.499 nan 8.370 nan 0.000 0.503 396 S N 3.236 119.039 115.700 0.172 0.000 3.757 396 S HA 0.625 5.095 4.470 -0.000 0.000 0.190 396 S C -0.229 174.521 174.600 0.250 0.000 0.948 396 S CA -0.209 58.145 58.200 0.257 0.000 1.592 396 S CB -0.405 63.088 63.200 0.487 0.000 0.656 396 S HN 0.601 nan 8.310 nan 0.000 0.640 402 T N -0.490 114.061 114.554 -0.004 0.000 2.735 402 T HA -0.084 4.266 4.350 -0.000 0.000 0.256 402 T C 1.031 175.720 174.700 -0.018 0.000 1.042 402 T CA 2.160 64.250 62.100 -0.017 0.000 1.147 402 T CB -0.423 68.435 68.868 -0.015 0.000 0.865 402 T HN 0.424 nan 8.240 nan 0.000 0.421 403 D N 0.851 121.244 120.400 -0.013 0.000 2.104 403 D HA -0.121 4.518 4.640 -0.000 0.000 0.194 403 D C 2.324 178.615 176.300 -0.015 0.000 0.994 403 D CA 1.085 55.075 54.000 -0.017 0.000 0.830 403 D CB -0.448 40.345 40.800 -0.011 0.000 0.959 403 D HN 0.442 nan 8.370 nan 0.000 0.452 404 R N 0.571 121.072 120.500 0.002 0.000 2.091 404 R HA -0.176 4.163 4.340 -0.000 0.000 0.238 404 R C 2.392 178.723 176.300 0.052 0.000 1.136 404 R CA 1.089 57.201 56.100 0.020 0.000 0.959 404 R CB -0.569 29.749 30.300 0.031 0.000 0.856 404 R HN 0.198 nan 8.270 nan 0.000 0.437 405 L N 0.825 122.076 121.223 0.048 0.000 1.988 405 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 405 L C 2.274 179.136 176.870 -0.013 0.000 1.071 405 L CA 1.439 56.311 54.840 0.054 0.000 0.744 405 L CB -0.730 41.293 42.059 -0.060 0.000 0.893 405 L HN 0.211 nan 8.230 nan 0.000 0.433 406 L N 0.177 121.355 121.223 -0.076 0.000 2.064 406 L HA -0.303 4.037 4.340 -0.000 0.000 0.216 406 L C 2.688 179.430 176.870 -0.214 0.000 1.077 406 L CA 2.314 57.051 54.840 -0.170 0.000 0.766 406 L CB -1.830 40.150 42.059 -0.131 0.000 0.890 406 L HN 0.531 nan 8.230 nan 0.000 0.435 407 A N -0.955 121.805 122.820 -0.101 0.000 1.877 407 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 407 A C 2.189 179.760 177.584 -0.022 0.000 1.186 407 A CA 1.429 53.425 52.037 -0.068 0.000 0.620 407 A CB -0.303 18.679 19.000 -0.030 0.000 0.822 407 A HN 0.320 nan 8.150 nan 0.000 0.443 408 K N -0.213 120.209 120.400 0.036 0.000 2.057 408 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 408 K C 1.827 178.505 176.600 0.131 0.000 1.049 408 K CA 1.166 57.523 56.287 0.117 0.000 0.931 408 K CB -0.855 31.790 32.500 0.241 0.000 0.714 408 K HN 0.472 nan 8.250 nan 0.000 0.440 409 L N 0.811 122.047 121.223 0.022 0.000 2.141 409 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 409 L C 2.428 179.243 176.870 -0.093 0.000 1.094 409 L CA 1.178 56.008 54.840 -0.018 0.000 0.763 409 L CB -0.438 41.531 42.059 -0.150 0.000 0.908 409 L HN 0.132 nan 8.230 nan 0.000 0.437 410 A N -0.872 121.777 122.820 -0.284 0.000 1.873 410 A HA -0.289 4.031 4.320 -0.000 0.000 0.215 410 A C 2.207 179.843 177.584 0.088 0.000 1.186 410 A CA 1.609 53.540 52.037 -0.177 0.000 0.616 410 A CB -0.991 17.890 19.000 -0.197 0.000 0.823 410 A HN 0.498 nan 8.150 nan 0.000 0.442 411 Y N 0.674 120.967 120.300 -0.012 0.000 2.274 411 Y HA -0.223 4.327 4.550 -0.000 0.000 0.290 411 Y C 2.219 178.130 175.900 0.018 0.000 1.145 411 Y CA 1.940 60.044 58.100 0.007 0.000 1.203 411 Y CB -0.342 38.113 38.460 -0.010 0.000 0.984 411 Y HN 0.291 nan 8.280 nan 0.000 0.533 412 M N -0.388 119.235 119.600 0.039 0.000 2.065 412 M HA -0.222 4.258 4.480 -0.000 0.000 0.259 412 M C 2.294 178.529 176.300 -0.108 0.000 1.069 412 M CA 1.980 57.247 55.300 -0.056 0.000 1.110 412 M CB -0.584 32.075 32.600 0.098 0.000 1.328 412 M HN 0.131 nan 8.290 nan 0.000 0.405 413 R N 0.663 121.195 120.500 0.053 0.000 2.083 413 R HA -0.058 4.282 4.340 -0.000 0.000 0.237 413 R C 2.072 178.335 176.300 -0.060 0.000 1.137 413 R CA 2.320 58.446 56.100 0.044 0.000 0.951 413 R CB -0.947 29.501 30.300 0.246 0.000 0.851 413 R HN 0.244 nan 8.270 nan 0.000 0.434 414 S N -1.257 114.401 115.700 -0.071 0.000 2.421 414 S HA 0.185 4.655 4.470 -0.000 0.000 0.224 414 S C 1.493 175.974 174.600 -0.198 0.000 1.035 414 S CA 0.693 58.840 58.200 -0.089 0.000 0.953 414 S CB 0.109 63.303 63.200 -0.010 0.000 0.810 414 S HN 0.630 nan 8.310 nan 0.000 0.497 415 G N 1.737 110.271 108.800 -0.444 0.000 2.557 415 G HA2 0.043 4.003 3.960 -0.000 0.000 0.213 415 G HA3 0.043 4.003 3.960 -0.000 0.000 0.213 415 G C 1.033 175.638 174.900 -0.492 0.000 1.221 415 G CA 0.266 44.999 45.100 -0.611 0.000 0.832 415 G HN 0.426 nan 8.290 nan 0.000 0.556 416 L N 1.186 122.042 121.223 -0.612 0.000 2.552 416 L HA 0.361 4.701 4.340 -0.000 0.000 0.227 416 L C 1.722 178.404 176.870 -0.314 0.000 1.146 416 L CA 0.534 55.128 54.840 -0.410 0.000 0.858 416 L CB -0.873 40.885 42.059 -0.501 0.000 0.969 416 L HN 0.295 nan 8.230 nan 0.000 0.451 417 G N 0.487 109.129 108.800 -0.263 0.000 2.372 417 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.297 417 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.297 417 G C 0.212 175.015 174.900 -0.162 0.000 1.005 417 G CA 0.141 45.133 45.100 -0.180 0.000 1.173 417 G HN 0.499 nan 8.290 nan 0.000 0.511 418 C N -0.524 118.685 119.300 -0.152 0.000 2.443 418 C HA 0.704 5.164 4.460 -0.000 0.000 0.369 418 C C 1.135 176.063 174.990 -0.105 0.000 1.241 418 C CA -0.168 58.785 59.018 -0.109 0.000 2.413 418 C CB 1.522 29.228 27.740 -0.056 0.000 2.451 418 C HN 0.583 nan 8.230 nan 0.000 0.595 419 D N -0.405 119.923 120.400 -0.120 0.000 2.417 419 D HA 0.213 4.853 4.640 -0.000 0.000 0.207 419 D C 0.082 176.272 176.300 -0.183 0.000 1.075 419 D CA 0.096 53.998 54.000 -0.164 0.000 0.851 419 D CB -0.043 40.642 40.800 -0.193 0.000 0.976 419 D HN 0.361 nan 8.370 nan 0.000 0.505 420 V N 1.347 121.188 119.914 -0.121 0.000 2.680 420 V HA 0.394 4.514 4.120 -0.000 0.000 0.309 420 V C -0.814 175.303 176.094 0.038 0.000 1.052 420 V CA -0.850 61.406 62.300 -0.073 0.000 0.908 420 V CB 2.671 34.466 31.823 -0.047 0.000 1.001 420 V HN 0.046 nan 8.190 nan 0.000 0.431 421 I N 4.950 125.563 120.570 0.073 0.000 2.447 421 I HA 0.493 4.663 4.170 -0.000 0.000 0.287 421 I C -0.504 175.708 176.117 0.159 0.000 1.023 421 I CA -0.294 61.090 61.300 0.140 0.000 1.083 421 I CB 1.921 40.032 38.000 0.186 0.000 1.245 421 I HN 0.454 nan 8.210 nan 0.000 0.434 422 I N 6.712 127.385 120.570 0.172 0.000 2.339 422 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 422 I C -0.566 175.625 176.117 0.123 0.000 0.994 422 I CA -0.777 60.622 61.300 0.166 0.000 1.191 422 I CB 2.006 40.111 38.000 0.176 0.000 1.343 422 I HN 0.275 nan 8.210 nan 0.000 0.458 423 L N 7.022 128.308 121.223 0.104 0.000 2.335 423 L HA 0.370 4.710 4.340 -0.000 0.000 0.268 423 L C -0.289 176.614 176.870 0.056 0.000 1.037 423 L CA -0.096 54.778 54.840 0.057 0.000 0.895 423 L CB 0.659 42.745 42.059 0.045 0.000 1.266 423 L HN 0.425 nan 8.230 nan 0.000 0.439 424 D N 4.292 124.723 120.400 0.052 0.000 2.435 424 D HA 0.173 4.813 4.640 -0.000 0.000 0.230 424 D C -0.679 175.680 176.300 0.098 0.000 1.215 424 D CA 0.253 54.299 54.000 0.076 0.000 0.947 424 D CB -0.111 40.733 40.800 0.073 0.000 1.048 424 D HN 0.642 nan 8.370 nan 0.000 0.512 425 H N 3.857 122.865 119.070 -0.103 0.000 3.768 425 H HA -0.148 4.408 4.556 -0.000 0.000 0.398 425 H C 0.535 175.771 175.328 -0.154 0.000 1.237 425 H CA -0.357 55.575 56.048 -0.193 0.000 1.411 425 H CB -1.419 28.164 29.762 -0.298 0.000 1.400 425 H HN 0.432 nan 8.280 nan 0.000 0.436 426 I N 1.979 122.535 120.570 -0.024 0.000 2.315 426 I HA -0.284 3.885 4.170 -0.000 0.000 0.251 426 I C 1.724 177.754 176.117 -0.145 0.000 1.125 426 I CA 2.120 63.382 61.300 -0.064 0.000 1.392 426 I CB -0.572 37.430 38.000 0.003 0.000 1.065 426 I HN 0.641 nan 8.210 nan 0.000 0.424 427 S N 1.091 116.662 115.700 -0.215 0.000 2.392 427 S HA -0.174 4.296 4.470 -0.000 0.000 0.232 427 S C 1.019 175.466 174.600 -0.255 0.000 1.041 427 S CA 0.777 58.846 58.200 -0.219 0.000 1.026 427 S CB -0.604 62.482 63.200 -0.191 0.000 0.845 427 S HN 0.367 nan 8.310 nan 0.000 0.465 428 I N 3.349 123.689 120.570 -0.384 0.000 2.471 428 I HA 0.009 4.179 4.170 -0.000 0.000 0.294 428 I C 1.269 177.293 176.117 -0.155 0.000 1.123 428 I CA -0.277 60.875 61.300 -0.245 0.000 1.336 428 I CB -0.111 37.735 38.000 -0.256 0.000 1.430 428 I HN 0.013 nan 8.210 nan 0.000 0.533 429 V N 4.697 124.549 119.914 -0.103 0.000 2.265 429 V HA 0.042 4.162 4.120 -0.000 0.000 0.224 429 V C 0.981 177.041 176.094 -0.057 0.000 1.023 429 V CA 0.066 62.325 62.300 -0.067 0.000 1.011 429 V CB -0.725 31.070 31.823 -0.045 0.000 0.651 429 V HN 0.469 nan 8.190 nan 0.000 0.466 430 V N 0.326 120.220 119.914 -0.034 0.000 3.478 430 V HA 0.006 4.125 4.120 -0.000 0.000 0.490 430 V C -0.021 176.081 176.094 0.013 0.000 0.682 430 V CA 0.898 63.193 62.300 -0.010 0.000 2.029 430 V CB -1.507 30.311 31.823 -0.009 0.000 2.466 430 V HN 1.726 nan 8.190 nan 0.000 0.504 431 S N 2.540 118.250 115.700 0.017 0.000 2.972 431 S HA 0.397 4.867 4.470 -0.000 0.000 0.824 431 S C 0.020 174.629 174.600 0.015 0.000 0.724 431 S CA 0.245 58.459 58.200 0.024 0.000 1.535 431 S CB -0.787 62.439 63.200 0.043 0.000 1.078 431 S HN 2.706 nan 8.310 nan 0.000 0.653 432 A N 3.094 125.921 122.820 0.011 0.000 2.029 432 A HA 0.398 4.718 4.320 -0.000 0.000 0.230 432 A C -0.095 177.493 177.584 0.006 0.000 2.841 432 A CA 0.136 52.177 52.037 0.007 0.000 2.008 432 A CB -0.630 18.373 19.000 0.004 0.000 0.283 432 A HN 1.289 nan 8.150 nan 0.000 0.875 433 S N 0.794 116.499 115.700 0.008 0.000 2.503 433 S HA 0.487 4.957 4.470 -0.000 0.000 0.317 433 S C 1.065 175.668 174.600 0.005 0.000 1.162 433 S CA 0.560 58.764 58.200 0.006 0.000 1.124 433 S CB 0.550 63.755 63.200 0.008 0.000 1.207 433 S HN 1.643 nan 8.310 nan 0.000 0.538 434 G N 2.302 111.105 108.800 0.004 0.000 4.417 434 G HA2 0.247 4.206 3.960 -0.000 0.000 0.221 434 G HA3 0.247 4.206 3.960 -0.000 0.000 0.221 434 G C -0.608 174.293 174.900 0.003 0.000 1.003 434 G CA -0.702 44.400 45.100 0.003 0.000 0.832 434 G HN 0.578 nan 8.290 nan 0.000 0.356 435 E N 0.701 120.902 120.200 0.002 0.000 2.199 435 E HA 0.772 5.122 4.350 -0.000 0.000 0.269 435 E C 0.193 176.794 176.600 0.001 0.000 0.899 435 E CA -0.708 55.693 56.400 0.001 0.000 0.772 435 E CB 1.689 31.390 29.700 0.001 0.000 1.155 435 E HN -0.061 nan 8.360 nan 0.000 0.408 436 S N 1.280 116.980 115.700 0.001 0.000 2.502 436 S HA 0.034 4.504 4.470 -0.000 0.000 0.251 436 S C 0.065 174.666 174.600 0.001 0.000 1.254 436 S CA -0.594 57.606 58.200 0.001 0.000 0.989 436 S CB -0.041 63.160 63.200 0.002 0.000 1.015 436 S HN 0.692 nan 8.310 nan 0.000 0.529 437 D N 1.767 122.168 120.400 0.001 0.000 3.139 437 D HA -0.104 4.536 4.640 -0.000 0.000 0.212 437 D C 1.084 177.384 176.300 0.000 0.000 1.084 437 D CA 0.505 54.506 54.000 0.001 0.000 0.777 437 D CB 0.320 41.122 40.800 0.003 0.000 1.156 437 D HN 0.416 nan 8.370 nan 0.000 0.537 438 E N 3.319 123.518 120.200 -0.002 0.000 2.209 438 E HA -0.226 4.123 4.350 -0.000 0.000 0.196 438 E C 1.873 178.473 176.600 -0.000 0.000 0.993 438 E CA 0.586 56.983 56.400 -0.005 0.000 0.819 438 E CB 0.153 29.847 29.700 -0.009 0.000 0.745 438 E HN 0.465 nan 8.360 nan 0.000 0.477 439 R N 0.840 121.342 120.500 0.003 0.000 2.136 439 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 439 R C 2.499 178.803 176.300 0.006 0.000 1.131 439 R CA 1.916 58.020 56.100 0.006 0.000 0.937 439 R CB -0.158 30.146 30.300 0.007 0.000 0.863 439 R HN -0.032 nan 8.270 nan 0.000 0.435 440 K N 0.358 120.761 120.400 0.005 0.000 2.007 440 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 440 K C 2.032 178.635 176.600 0.005 0.000 1.047 440 K CA 1.316 57.607 56.287 0.006 0.000 0.937 440 K CB -0.287 32.216 32.500 0.005 0.000 0.718 440 K HN 0.139 nan 8.250 nan 0.000 0.438 441 M N 1.843 121.444 119.600 0.002 0.000 2.108 441 M HA -0.168 4.311 4.480 -0.000 0.000 0.261 441 M C 2.209 178.508 176.300 -0.001 0.000 1.066 441 M CA 1.080 56.380 55.300 -0.001 0.000 1.107 441 M CB -0.705 31.892 32.600 -0.004 0.000 1.356 441 M HN 0.275 nan 8.290 nan 0.000 0.406 442 I N 0.536 121.105 120.570 -0.002 0.000 2.181 442 I HA -0.386 3.784 4.170 -0.000 0.000 0.247 442 I C 1.354 177.475 176.117 0.007 0.000 1.081 442 I CA 2.180 63.480 61.300 -0.001 0.000 1.340 442 I CB -0.579 37.423 38.000 0.003 0.000 1.036 442 I HN 0.256 nan 8.210 nan 0.000 0.417 443 D N 0.882 121.288 120.400 0.009 0.000 2.077 443 D HA -0.221 4.419 4.640 -0.000 0.000 0.193 443 D C 2.020 178.328 176.300 0.014 0.000 0.989 443 D CA 1.348 55.356 54.000 0.014 0.000 0.831 443 D CB -0.717 40.091 40.800 0.013 0.000 0.979 443 D HN 0.363 nan 8.370 nan 0.000 0.449 444 N N 0.637 119.344 118.700 0.011 0.000 2.073 444 N HA -0.202 4.537 4.740 -0.000 0.000 0.199 444 N C 1.896 177.412 175.510 0.011 0.000 1.023 444 N CA 1.204 54.260 53.050 0.010 0.000 0.880 444 N CB -0.469 38.022 38.487 0.007 0.000 1.052 444 N HN 0.184 nan 8.380 nan 0.000 0.449 445 L N 0.666 121.893 121.223 0.007 0.000 2.012 445 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 445 L C 2.397 179.279 176.870 0.021 0.000 1.073 445 L CA 1.704 56.549 54.840 0.007 0.000 0.748 445 L CB -1.190 40.866 42.059 -0.004 0.000 0.891 445 L HN 0.141 nan 8.230 nan 0.000 0.431 446 M N 0.130 119.744 119.600 0.022 0.000 2.147 446 M HA -0.263 4.217 4.480 -0.000 0.000 0.253 446 M C 2.432 178.757 176.300 0.041 0.000 1.075 446 M CA 2.690 58.010 55.300 0.033 0.000 1.085 446 M CB -1.495 31.122 32.600 0.028 0.000 1.305 446 M HN 0.717 nan 8.290 nan 0.000 0.409 447 T N -2.095 112.480 114.554 0.035 0.000 2.737 447 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 447 T C 1.831 176.561 174.700 0.050 0.000 1.038 447 T CA 1.482 63.605 62.100 0.038 0.000 1.144 447 T CB -0.464 68.421 68.868 0.030 0.000 0.866 447 T HN 0.428 nan 8.240 nan 0.000 0.434 448 K N 1.224 121.650 120.400 0.044 0.000 2.074 448 K HA -0.049 4.271 4.320 -0.000 0.000 0.209 448 K C 2.407 179.066 176.600 0.098 0.000 1.048 448 K CA 1.384 57.703 56.287 0.053 0.000 0.926 448 K CB -0.676 31.839 32.500 0.025 0.000 0.713 448 K HN 0.397 nan 8.250 nan 0.000 0.444 449 L N 0.982 122.264 121.223 0.099 0.000 1.976 449 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 449 L C 2.620 179.586 176.870 0.160 0.000 1.071 449 L CA 1.257 56.193 54.840 0.161 0.000 0.746 449 L CB -0.551 41.577 42.059 0.116 0.000 0.890 449 L HN 0.114 nan 8.230 nan 0.000 0.432 450 K N 0.739 121.195 120.400 0.094 0.000 2.103 450 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 450 K C 1.804 178.439 176.600 0.058 0.000 1.048 450 K CA 1.542 57.866 56.287 0.061 0.000 0.930 450 K CB -0.935 31.593 32.500 0.046 0.000 0.716 450 K HN 0.304 nan 8.250 nan 0.000 0.444 451 G N 0.303 109.153 108.800 0.083 0.000 2.524 451 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.215 451 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.215 451 G C 1.383 176.358 174.900 0.125 0.000 1.239 451 G CA 0.787 45.938 45.100 0.085 0.000 0.798 451 G HN 0.342 nan 8.290 nan 0.000 0.557 452 F N 2.745 122.698 119.950 0.005 0.000 2.060 452 F HA -0.326 4.201 4.527 -0.000 0.000 0.293 452 F C 2.762 178.560 175.800 -0.003 0.000 1.096 452 F CA 1.751 59.752 58.000 0.003 0.000 1.241 452 F CB -0.989 38.016 39.000 0.007 0.000 0.959 452 F HN 0.275 nan 8.300 nan 0.000 0.499 453 A N -0.282 122.433 122.820 -0.175 0.000 1.842 453 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 453 A C 2.266 179.736 177.584 -0.190 0.000 1.206 453 A CA 2.402 54.275 52.037 -0.274 0.000 0.630 453 A CB -1.076 17.857 19.000 -0.112 0.000 0.839 453 A HN 0.395 nan 8.150 nan 0.000 0.447 454 K N 0.018 120.367 120.400 -0.083 0.000 2.097 454 K HA -0.097 4.222 4.320 -0.000 0.000 0.206 454 K C 2.393 178.965 176.600 -0.046 0.000 1.049 454 K CA 1.507 57.762 56.287 -0.053 0.000 0.933 454 K CB -0.275 32.214 32.500 -0.019 0.000 0.717 454 K HN 0.611 nan 8.250 nan 0.000 0.442 455 S N -0.904 114.777 115.700 -0.031 0.000 2.447 455 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 455 S C 1.679 176.260 174.600 -0.031 0.000 1.006 455 S CA 1.665 59.861 58.200 -0.008 0.000 0.957 455 S CB -0.271 62.952 63.200 0.039 0.000 0.773 455 S HN 0.434 nan 8.310 nan 0.000 0.507 456 T N -4.684 109.809 114.554 -0.101 0.000 3.058 456 T HA 0.505 4.854 4.350 -0.000 0.000 0.278 456 T C 1.448 176.048 174.700 -0.168 0.000 0.974 456 T CA 0.802 62.828 62.100 -0.123 0.000 0.893 456 T CB 0.032 68.823 68.868 -0.129 0.000 1.138 456 T HN 1.184 nan 8.240 nan 0.000 0.529 457 G N 1.226 109.920 108.800 -0.177 0.000 2.189 457 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.267 457 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.267 457 G C 0.317 175.084 174.900 -0.223 0.000 0.975 457 G CA 0.262 45.262 45.100 -0.168 0.000 0.644 457 G HN 1.100 nan 8.290 nan 0.000 0.537 458 V N 0.478 120.211 119.914 -0.301 0.000 2.843 458 V HA 0.442 4.562 4.120 -0.000 0.000 0.305 458 V C 1.018 176.948 176.094 -0.272 0.000 1.065 458 V CA 0.054 62.169 62.300 -0.308 0.000 1.116 458 V CB 1.489 33.048 31.823 -0.439 0.000 0.968 458 V HN 0.499 nan 8.190 nan 0.000 0.487 459 V N 7.560 127.334 119.914 -0.233 0.000 2.432 459 V HA 0.290 4.409 4.120 -0.000 0.000 0.271 459 V C 0.031 176.056 176.094 -0.116 0.000 1.046 459 V CA -0.226 61.955 62.300 -0.199 0.000 0.945 459 V CB 1.053 32.701 31.823 -0.292 0.000 0.992 459 V HN 0.684 nan 8.190 nan 0.000 0.471 460 L N 7.297 128.482 121.223 -0.062 0.000 2.301 460 L HA 0.505 4.845 4.340 -0.000 0.000 0.278 460 L C -0.218 176.706 176.870 0.090 0.000 1.022 460 L CA 0.042 54.897 54.840 0.025 0.000 0.854 460 L CB 1.413 43.487 42.059 0.026 0.000 1.226 460 L HN 0.484 nan 8.230 nan 0.000 0.429 461 V N 4.794 124.799 119.914 0.151 0.000 2.583 461 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 461 V C -0.001 176.189 176.094 0.161 0.000 1.051 461 V CA -0.545 61.880 62.300 0.208 0.000 1.010 461 V CB 1.348 33.350 31.823 0.299 0.000 0.988 461 V HN 0.423 nan 8.190 nan 0.000 0.478 462 V N 5.624 125.624 119.914 0.145 0.000 2.567 462 V HA 0.388 4.508 4.120 -0.000 0.000 0.298 462 V C -0.198 175.961 176.094 0.109 0.000 1.047 462 V CA -0.391 61.976 62.300 0.112 0.000 0.880 462 V CB 1.818 33.696 31.823 0.092 0.000 1.009 462 V HN 0.664 nan 8.190 nan 0.000 0.429 463 I N 3.827 124.459 120.570 0.103 0.000 2.581 463 I HA 0.442 4.612 4.170 -0.000 0.000 0.288 463 I C 0.114 176.288 176.117 0.096 0.000 1.047 463 I CA 0.271 61.629 61.300 0.097 0.000 1.374 463 I CB 1.446 39.493 38.000 0.079 0.000 1.423 463 I HN 0.832 nan 8.210 nan 0.000 0.549 464 C N 6.463 125.829 119.300 0.111 0.000 3.006 464 C HA 0.441 4.901 4.460 -0.000 0.000 0.359 464 C C -0.642 174.476 174.990 0.213 0.000 1.103 464 C CA -0.567 58.534 59.018 0.138 0.000 1.286 464 C CB 0.938 28.738 27.740 0.100 0.000 1.694 464 C HN 0.894 nan 8.230 nan 0.000 0.511 465 H N 2.977 122.063 119.070 0.026 0.000 2.496 465 H HA 0.531 5.087 4.556 -0.000 0.000 0.342 465 H C -0.371 174.928 175.328 -0.049 0.000 1.170 465 H CA -0.686 55.323 56.048 -0.065 0.000 1.274 465 H CB 1.364 31.087 29.762 -0.065 0.000 1.538 465 H HN 0.554 nan 8.280 nan 0.000 0.542 466 L N 2.971 124.167 121.223 -0.045 0.000 2.289 466 L HA 0.190 4.529 4.340 -0.000 0.000 0.285 466 L C 0.055 176.876 176.870 -0.080 0.000 1.049 466 L CA -0.939 53.853 54.840 -0.081 0.000 0.804 466 L CB 1.226 43.173 42.059 -0.187 0.000 1.195 466 L HN 0.585 nan 8.230 nan 0.000 0.428 467 K N 2.388 122.788 120.400 -0.000 0.000 2.402 467 K HA 0.056 4.375 4.320 -0.000 0.000 0.265 467 K C -0.317 176.305 176.600 0.036 0.000 0.978 467 K CA -0.015 56.281 56.287 0.015 0.000 0.913 467 K CB 0.282 32.802 32.500 0.034 0.000 0.954 467 K HN 0.430 nan 8.250 nan 0.000 0.511 468 N N 1.501 120.231 118.700 0.049 0.000 2.407 468 N HA 0.133 4.873 4.740 -0.000 0.000 0.277 468 N C -1.852 173.713 175.510 0.091 0.000 0.995 468 N CA -1.515 51.599 53.050 0.106 0.000 0.903 468 N CB 1.421 39.947 38.487 0.065 0.000 1.218 468 N HN 0.471 nan 8.380 nan 0.000 0.487 469 P HA -0.239 nan 4.420 nan 0.000 0.221 469 P C -0.047 177.268 177.300 0.024 0.000 1.107 469 P CA 1.661 64.786 63.100 0.042 0.000 0.986 469 P CB 0.265 31.964 31.700 -0.001 0.000 0.774 470 D N -5.238 115.173 120.400 0.019 0.000 2.384 470 D HA -0.130 4.510 4.640 -0.000 0.000 0.170 470 D C 0.073 176.373 176.300 0.001 0.000 1.010 470 D CA 1.485 55.491 54.000 0.010 0.000 1.035 470 D CB -1.095 39.711 40.800 0.010 0.000 1.093 470 D HN 0.151 nan 8.370 nan 0.000 0.476 471 K N 0.511 120.907 120.400 -0.006 0.000 2.334 471 K HA 0.570 4.890 4.320 -0.000 0.000 0.265 471 K C 1.232 177.818 176.600 -0.025 0.000 1.039 471 K CA 0.377 56.654 56.287 -0.016 0.000 0.920 471 K CB 0.452 32.940 32.500 -0.020 0.000 1.160 471 K HN 0.159 nan 8.250 nan 0.000 0.451 472 G N 4.959 113.748 108.800 -0.018 0.000 3.089 472 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.369 472 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.369 472 G C -0.166 174.718 174.900 -0.027 0.000 1.391 472 G CA 1.524 46.612 45.100 -0.020 0.000 1.324 472 G HN 0.684 nan 8.290 nan 0.000 0.748 473 K N 1.197 121.572 120.400 -0.042 0.000 2.201 473 K HA 0.777 5.097 4.320 -0.000 0.000 0.278 473 K C 0.496 177.049 176.600 -0.079 0.000 1.027 473 K CA -0.039 56.216 56.287 -0.052 0.000 0.909 473 K CB 1.743 34.209 32.500 -0.056 0.000 1.062 473 K HN 0.767 nan 8.250 nan 0.000 0.465 474 A N 2.798 125.583 122.820 -0.059 0.000 2.599 474 A HA 0.174 4.493 4.320 -0.000 0.000 0.257 474 A C 0.504 178.017 177.584 -0.119 0.000 1.641 474 A CA -0.069 51.941 52.037 -0.044 0.000 0.842 474 A CB -0.353 18.657 19.000 0.017 0.000 1.599 474 A HN 0.977 nan 8.150 nan 0.000 0.585 475 H N -0.794 118.247 119.070 -0.049 0.000 2.486 475 H HA 0.057 4.612 4.556 -0.000 0.000 0.287 475 H C 1.558 176.845 175.328 -0.069 0.000 1.010 475 H CA 1.119 57.129 56.048 -0.064 0.000 1.324 475 H CB 0.366 30.081 29.762 -0.078 0.000 1.446 475 H HN 0.660 nan 8.280 nan 0.000 0.537 476 E N 0.516 120.744 120.200 0.046 0.000 2.481 476 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 476 E C 0.842 177.432 176.600 -0.017 0.000 1.047 476 E CA 0.433 56.833 56.400 0.000 0.000 0.867 476 E CB 0.106 29.802 29.700 -0.006 0.000 0.858 476 E HN 0.509 nan 8.360 nan 0.000 0.513 477 E N 0.242 120.426 120.200 -0.027 0.000 2.403 477 E HA 0.148 4.498 4.350 -0.000 0.000 0.188 477 E C 0.803 177.370 176.600 -0.054 0.000 1.056 477 E CA 0.396 56.774 56.400 -0.037 0.000 0.892 477 E CB -0.262 29.415 29.700 -0.039 0.000 1.049 477 E HN 0.388 nan 8.360 nan 0.000 0.465 478 G N 1.923 110.687 108.800 -0.060 0.000 2.458 478 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.237 478 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.237 478 G C 0.504 175.337 174.900 -0.111 0.000 1.113 478 G CA 0.193 45.249 45.100 -0.074 0.000 0.655 478 G HN 0.430 nan 8.290 nan 0.000 0.513 479 R N 2.016 122.434 120.500 -0.136 0.000 3.568 479 R HA -0.048 4.292 4.340 -0.000 0.000 0.179 479 R C -2.070 174.124 176.300 -0.176 0.000 0.664 479 R CA 0.713 56.712 56.100 -0.169 0.000 0.918 479 R CB -0.244 29.907 30.300 -0.248 0.000 1.034 479 R HN 0.318 nan 8.270 nan 0.000 0.320 480 P HA 0.000 nan 4.420 nan 0.000 0.271 480 P C -0.745 176.495 177.300 -0.100 0.000 1.233 480 P CA -0.369 62.669 63.100 -0.103 0.000 0.789 480 P CB 0.741 32.395 31.700 -0.077 0.000 0.951 481 V N -0.589 119.282 119.914 -0.072 0.000 2.680 481 V HA 0.784 4.904 4.120 -0.000 0.000 0.309 481 V C -0.461 175.613 176.094 -0.033 0.000 1.052 481 V CA -0.401 61.874 62.300 -0.043 0.000 0.908 481 V CB 1.805 33.623 31.823 -0.008 0.000 1.001 481 V HN 0.718 nan 8.190 nan 0.000 0.431 482 S N 4.562 120.250 115.700 -0.020 0.000 2.759 482 S HA 0.657 5.127 4.470 -0.000 0.000 0.310 482 S C 0.536 175.134 174.600 -0.003 0.000 1.123 482 S CA -0.533 57.659 58.200 -0.014 0.000 0.959 482 S CB 1.409 64.601 63.200 -0.013 0.000 1.172 482 S HN 0.733 nan 8.310 nan 0.000 0.539 483 I N 1.132 121.702 120.570 -0.001 0.000 2.617 483 I HA -0.020 4.149 4.170 -0.000 0.000 0.256 483 I C 2.865 178.988 176.117 0.010 0.000 1.167 483 I CA 1.435 62.739 61.300 0.006 0.000 1.469 483 I CB -1.647 36.357 38.000 0.007 0.000 1.098 483 I HN 0.976 nan 8.210 nan 0.000 0.436 484 T N 0.168 114.726 114.554 0.007 0.000 2.635 484 T HA -0.307 4.043 4.350 -0.000 0.000 0.267 484 T C 1.767 176.475 174.700 0.013 0.000 1.040 484 T CA 2.139 64.244 62.100 0.008 0.000 1.156 484 T CB -0.626 68.244 68.868 0.004 0.000 0.863 484 T HN 0.266 nan 8.240 nan 0.000 0.430 485 D N 0.578 120.985 120.400 0.011 0.000 2.362 485 D HA -0.015 4.625 4.640 -0.000 0.000 0.215 485 D C 0.659 176.980 176.300 0.035 0.000 0.978 485 D CA 0.198 54.211 54.000 0.022 0.000 0.921 485 D CB -0.509 40.300 40.800 0.016 0.000 0.895 485 D HN 0.385 nan 8.370 nan 0.000 0.494 486 L N 1.033 122.272 121.223 0.026 0.000 2.490 486 L HA 0.051 4.391 4.340 -0.000 0.000 0.274 486 L C 1.234 178.123 176.870 0.031 0.000 1.201 486 L CA 0.214 55.071 54.840 0.029 0.000 0.869 486 L CB 0.621 42.693 42.059 0.023 0.000 1.123 486 L HN 0.045 nan 8.230 nan 0.000 0.484 487 R N 1.640 122.162 120.500 0.036 0.000 3.160 487 R HA 0.216 4.556 4.340 -0.000 0.000 0.266 487 R C 0.658 176.975 176.300 0.029 0.000 1.167 487 R CA 0.731 56.852 56.100 0.034 0.000 1.124 487 R CB -0.031 30.295 30.300 0.043 0.000 1.034 487 R HN 0.949 nan 8.270 nan 0.000 0.536 488 G N -0.493 108.322 108.800 0.026 0.000 2.601 488 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.261 488 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.261 488 G C -0.065 174.845 174.900 0.018 0.000 1.289 488 G CA 0.120 45.232 45.100 0.021 0.000 0.920 488 G HN 0.503 nan 8.290 nan 0.000 0.571 489 S N -0.196 115.514 115.700 0.016 0.000 3.082 489 S HA 0.528 4.998 4.470 -0.000 0.000 0.253 489 S C 1.140 175.749 174.600 0.015 0.000 0.961 489 S CA 1.183 59.392 58.200 0.015 0.000 1.129 489 S CB 0.274 63.482 63.200 0.012 0.000 1.083 489 S HN 2.421 nan 8.310 nan 0.000 0.605 490 G N 0.856 109.666 108.800 0.017 0.000 2.901 490 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.194 490 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.194 490 G C 1.062 175.974 174.900 0.020 0.000 1.020 490 G CA 0.253 45.363 45.100 0.017 0.000 0.787 490 G HN 0.473 nan 8.290 nan 0.000 0.477 491 A N 0.650 123.482 122.820 0.020 0.000 1.898 491 A HA 0.321 4.641 4.320 -0.000 0.000 0.216 491 A C 2.349 179.949 177.584 0.027 0.000 1.181 491 A CA 2.292 54.342 52.037 0.023 0.000 0.620 491 A CB -0.392 18.622 19.000 0.022 0.000 0.819 491 A HN 0.861 nan 8.150 nan 0.000 0.442 492 L N 0.141 121.381 121.223 0.028 0.000 2.023 492 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 492 L C 2.334 179.223 176.870 0.032 0.000 1.073 492 L CA 1.644 56.504 54.840 0.033 0.000 0.745 492 L CB -1.125 40.955 42.059 0.035 0.000 0.900 492 L HN 0.306 nan 8.230 nan 0.000 0.435 493 R N 0.134 120.651 120.500 0.027 0.000 2.276 493 R HA -0.230 4.110 4.340 -0.000 0.000 0.243 493 R C 1.872 178.187 176.300 0.025 0.000 1.161 493 R CA 1.557 57.672 56.100 0.024 0.000 1.007 493 R CB -0.539 29.774 30.300 0.021 0.000 0.867 493 R HN 0.604 nan 8.270 nan 0.000 0.472 494 Q N -0.169 119.646 119.800 0.026 0.000 2.596 494 Q HA 0.083 4.423 4.340 -0.000 0.000 0.190 494 Q C 1.670 177.689 176.000 0.031 0.000 0.905 494 Q CA -0.369 55.450 55.803 0.027 0.000 0.846 494 Q CB 0.244 28.996 28.738 0.023 0.000 1.117 494 Q HN 0.020 nan 8.270 nan 0.000 0.630 495 L N 1.423 122.665 121.223 0.031 0.000 2.211 495 L HA -0.135 4.205 4.340 -0.000 0.000 0.216 495 L C 0.706 177.600 176.870 0.040 0.000 1.092 495 L CA 1.300 56.160 54.840 0.034 0.000 0.767 495 L CB -0.897 41.183 42.059 0.035 0.000 0.894 495 L HN 0.038 nan 8.230 nan 0.000 0.437 496 S N -0.013 115.713 115.700 0.043 0.000 2.548 496 S HA 0.076 4.546 4.470 -0.000 0.000 0.277 496 S C 0.858 175.491 174.600 0.054 0.000 1.315 496 S CA -0.667 57.563 58.200 0.051 0.000 1.050 496 S CB 1.146 64.378 63.200 0.053 0.000 0.918 496 S HN 0.203 nan 8.310 nan 0.000 0.497 497 D N 1.662 122.100 120.400 0.062 0.000 2.197 497 D HA 0.047 4.687 4.640 -0.000 0.000 0.212 497 D C 0.306 176.659 176.300 0.089 0.000 0.963 497 D CA 1.108 55.151 54.000 0.072 0.000 0.864 497 D CB 0.022 40.862 40.800 0.066 0.000 1.009 497 D HN 0.443 nan 8.370 nan 0.000 0.479 498 T N 1.292 115.906 114.554 0.101 0.000 2.829 498 T HA 0.454 4.803 4.350 -0.000 0.000 0.280 498 T C -0.330 174.412 174.700 0.071 0.000 0.999 498 T CA -0.536 61.624 62.100 0.100 0.000 0.983 498 T CB 2.041 70.999 68.868 0.150 0.000 0.968 498 T HN -0.210 nan 8.240 nan 0.000 0.446 499 I N 3.691 124.283 120.570 0.037 0.000 2.354 499 I HA 0.440 4.610 4.170 -0.000 0.000 0.286 499 I C -0.295 175.802 176.117 -0.034 0.000 1.007 499 I CA -1.591 59.716 61.300 0.012 0.000 1.167 499 I CB 0.801 38.807 38.000 0.010 0.000 1.320 499 I HN 0.599 nan 8.210 nan 0.000 0.458 500 I N 5.720 126.249 120.570 -0.068 0.000 2.339 500 I HA 0.641 4.811 4.170 -0.000 0.000 0.290 500 I C 0.286 176.305 176.117 -0.164 0.000 0.994 500 I CA -0.429 60.777 61.300 -0.157 0.000 1.191 500 I CB 1.546 39.388 38.000 -0.264 0.000 1.343 500 I HN 0.612 nan 8.210 nan 0.000 0.458 501 A N 7.278 129.993 122.820 -0.174 0.000 2.355 501 A HA 0.943 5.262 4.320 -0.000 0.000 0.324 501 A C -1.070 176.376 177.584 -0.229 0.000 1.117 501 A CA -0.508 51.432 52.037 -0.162 0.000 0.785 501 A CB 1.069 20.004 19.000 -0.109 0.000 1.254 501 A HN 0.562 nan 8.150 nan 0.000 0.453 502 L N 1.325 122.413 121.223 -0.225 0.000 2.381 502 L HA 0.557 4.897 4.340 -0.000 0.000 0.274 502 L C -0.139 176.622 176.870 -0.182 0.000 0.988 502 L CA -0.227 54.459 54.840 -0.256 0.000 0.824 502 L CB 1.669 43.535 42.059 -0.320 0.000 1.263 502 L HN 0.725 nan 8.230 nan 0.000 0.410 503 E N 2.887 122.976 120.200 -0.185 0.000 2.207 503 E HA 0.723 5.073 4.350 -0.000 0.000 0.270 503 E C -0.901 175.615 176.600 -0.140 0.000 0.927 503 E CA -1.030 55.286 56.400 -0.139 0.000 0.799 503 E CB 3.043 32.655 29.700 -0.146 0.000 1.172 503 E HN 0.477 nan 8.360 nan 0.000 0.404 504 R N 2.453 122.893 120.500 -0.100 0.000 2.549 504 R HA 0.096 4.436 4.340 -0.000 0.000 0.291 504 R C -1.328 174.935 176.300 -0.062 0.000 1.164 504 R CA -0.279 55.768 56.100 -0.088 0.000 0.973 504 R CB 0.975 31.217 30.300 -0.095 0.000 1.210 504 R HN 0.705 nan 8.270 nan 0.000 0.422 505 N N 4.659 123.327 118.700 -0.053 0.000 2.968 505 N HA 0.003 4.743 4.740 -0.000 0.000 0.271 505 N C -0.122 175.373 175.510 -0.024 0.000 1.174 505 N CA -0.190 52.838 53.050 -0.037 0.000 1.096 505 N CB 0.796 39.264 38.487 -0.032 0.000 1.403 505 N HN 0.678 nan 8.380 nan 0.000 0.522 506 Q N 0.879 120.663 119.800 -0.027 0.000 2.561 506 Q HA -0.165 4.175 4.340 -0.000 0.000 0.217 506 Q C -0.198 175.797 176.000 -0.009 0.000 0.980 506 Q CA 0.750 56.540 55.803 -0.021 0.000 0.927 506 Q CB -0.173 28.544 28.738 -0.034 0.000 0.980 506 Q HN 0.664 nan 8.270 nan 0.000 0.525 507 Q N -0.406 119.390 119.800 -0.007 0.000 2.700 507 Q HA 0.637 4.977 4.340 -0.000 0.000 0.249 507 Q C -0.167 175.835 176.000 0.002 0.000 1.033 507 Q CA -0.360 55.442 55.803 -0.001 0.000 0.804 507 Q CB 1.377 30.114 28.738 -0.002 0.000 1.164 507 Q HN 0.111 nan 8.270 nan 0.000 0.500 508 G N 0.570 109.375 108.800 0.009 0.000 2.696 508 G HA2 0.093 4.053 3.960 -0.000 0.000 0.151 508 G HA3 0.093 4.053 3.960 -0.000 0.000 0.151 508 G C -0.607 174.307 174.900 0.023 0.000 1.197 508 G CA -0.283 44.825 45.100 0.013 0.000 1.053 508 G HN 0.210 nan 8.290 nan 0.000 0.546 509 D N 0.089 120.508 120.400 0.031 0.000 2.110 509 D HA 0.093 4.733 4.640 -0.000 0.000 0.202 509 D C 0.743 177.073 176.300 0.051 0.000 0.975 509 D CA 1.254 55.281 54.000 0.044 0.000 0.839 509 D CB 0.048 40.884 40.800 0.059 0.000 0.996 509 D HN 0.111 nan 8.370 nan 0.000 0.464 510 M N 0.348 119.978 119.600 0.050 0.000 2.065 510 M HA 0.273 4.753 4.480 -0.000 0.000 0.308 510 M C -2.203 174.117 176.300 0.034 0.000 0.939 510 M CA -1.585 53.746 55.300 0.051 0.000 0.890 510 M CB 2.340 34.978 32.600 0.063 0.000 1.383 510 M HN -0.276 nan 8.290 nan 0.000 0.381 511 P HA -0.004 nan 4.420 nan 0.000 0.230 511 P C 0.481 177.803 177.300 0.036 0.000 1.158 511 P CA 1.036 64.150 63.100 0.024 0.000 0.769 511 P CB 0.282 31.999 31.700 0.028 0.000 0.807 512 N N -1.236 117.501 118.700 0.063 0.000 2.236 512 N HA 0.065 4.805 4.740 -0.000 0.000 0.196 512 N C 0.193 175.755 175.510 0.088 0.000 1.114 512 N CA -0.086 53.026 53.050 0.103 0.000 0.859 512 N CB 0.010 38.584 38.487 0.145 0.000 0.982 512 N HN 0.149 nan 8.380 nan 0.000 0.493 513 L N 1.618 122.870 121.223 0.048 0.000 2.319 513 L HA 0.318 4.658 4.340 -0.000 0.000 0.280 513 L C -0.298 176.562 176.870 -0.017 0.000 1.099 513 L CA -0.410 54.447 54.840 0.029 0.000 0.828 513 L CB 1.028 43.084 42.059 -0.005 0.000 1.150 513 L HN -0.164 nan 8.230 nan 0.000 0.442 514 V N 6.802 126.700 119.914 -0.027 0.000 2.656 514 V HA 0.552 4.672 4.120 -0.000 0.000 0.307 514 V C -0.910 175.036 176.094 -0.246 0.000 1.051 514 V CA -0.782 61.449 62.300 -0.115 0.000 0.893 514 V CB 1.857 33.626 31.823 -0.089 0.000 0.999 514 V HN 0.860 nan 8.190 nan 0.000 0.426 515 L N 6.323 127.323 121.223 -0.372 0.000 2.379 515 L HA 0.804 5.144 4.340 -0.000 0.000 0.269 515 L C -0.791 175.811 176.870 -0.447 0.000 1.084 515 L CA -0.253 54.204 54.840 -0.639 0.000 0.802 515 L CB 1.910 43.626 42.059 -0.572 0.000 1.175 515 L HN 0.661 nan 8.230 nan 0.000 0.448 516 V N 3.583 123.227 119.914 -0.450 0.000 2.409 516 V HA 0.517 4.636 4.120 -0.000 0.000 0.290 516 V C -0.175 175.771 176.094 -0.248 0.000 1.017 516 V CA -0.678 61.428 62.300 -0.323 0.000 0.841 516 V CB 1.159 32.806 31.823 -0.292 0.000 1.003 516 V HN 0.694 nan 8.190 nan 0.000 0.426 517 R N 3.847 124.223 120.500 -0.207 0.000 2.349 517 R HA 0.552 4.892 4.340 -0.000 0.000 0.299 517 R C -0.651 175.575 176.300 -0.124 0.000 1.027 517 R CA -0.679 55.337 56.100 -0.140 0.000 0.958 517 R CB 1.174 31.405 30.300 -0.115 0.000 1.047 517 R HN 0.527 nan 8.270 nan 0.000 0.468 518 I N 5.211 125.730 120.570 -0.084 0.000 2.322 518 I HA -0.003 4.167 4.170 -0.000 0.000 0.292 518 I C 0.767 176.861 176.117 -0.039 0.000 1.060 518 I CA -0.042 61.221 61.300 -0.061 0.000 1.309 518 I CB 1.306 39.289 38.000 -0.029 0.000 1.415 518 I HN 0.647 nan 8.210 nan 0.000 0.492 519 L N 6.357 127.558 121.223 -0.037 0.000 2.558 519 L HA 0.120 4.460 4.340 -0.000 0.000 0.225 519 L C 0.581 177.449 176.870 -0.003 0.000 1.128 519 L CA 0.609 55.436 54.840 -0.022 0.000 0.868 519 L CB -0.499 41.546 42.059 -0.023 0.000 1.006 519 L HN 0.718 nan 8.230 nan 0.000 0.454 520 K N -1.663 118.741 120.400 0.007 0.000 2.880 520 K HA 0.274 4.594 4.320 -0.000 0.000 0.302 520 K C -1.779 174.848 176.600 0.044 0.000 1.135 520 K CA -0.579 55.722 56.287 0.024 0.000 0.917 520 K CB 0.204 32.719 32.500 0.026 0.000 1.387 520 K HN -0.243 nan 8.250 nan 0.000 0.380 521 C N 5.263 124.598 119.300 0.059 0.000 3.199 521 C HA 0.402 4.862 4.460 -0.000 0.000 0.376 521 C C 1.227 176.279 174.990 0.103 0.000 1.023 521 C CA -0.579 58.496 59.018 0.095 0.000 1.304 521 C CB 0.414 28.213 27.740 0.099 0.000 1.676 521 C HN 1.000 nan 8.230 nan 0.000 0.553 522 R N 1.449 122.018 120.500 0.115 0.000 2.103 522 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 522 R C 1.804 178.191 176.300 0.146 0.000 1.132 522 R CA 2.424 58.591 56.100 0.111 0.000 0.925 522 R CB -0.581 29.787 30.300 0.113 0.000 0.842 522 R HN 0.829 nan 8.270 nan 0.000 0.430 523 F N 0.631 120.601 119.950 0.034 0.000 2.225 523 F HA -0.321 4.206 4.527 -0.000 0.000 0.302 523 F C 2.321 178.140 175.800 0.032 0.000 1.068 523 F CA 2.095 60.115 58.000 0.033 0.000 1.327 523 F CB 0.114 39.138 39.000 0.041 0.000 1.043 523 F HN 0.263 nan 8.300 nan 0.000 0.506 524 T N -4.519 110.018 114.554 -0.028 0.000 3.057 524 T HA 0.309 4.658 4.350 -0.000 0.000 0.254 524 T C 1.637 176.309 174.700 -0.046 0.000 0.965 524 T CA 0.778 62.806 62.100 -0.120 0.000 0.978 524 T CB 0.178 69.018 68.868 -0.047 0.000 1.169 524 T HN 0.488 nan 8.240 nan 0.000 0.489 525 G N 1.803 110.607 108.800 0.008 0.000 2.168 525 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.263 525 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.263 525 G C -0.181 174.722 174.900 0.006 0.000 0.977 525 G CA 0.463 45.568 45.100 0.008 0.000 0.659 525 G HN 0.867 nan 8.290 nan 0.000 0.533 526 D N 1.394 121.799 120.400 0.008 0.000 2.336 526 D HA 0.537 5.177 4.640 -0.000 0.000 0.249 526 D C 0.916 177.229 176.300 0.022 0.000 1.213 526 D CA 0.837 54.845 54.000 0.014 0.000 0.870 526 D CB 0.380 41.190 40.800 0.016 0.000 1.076 526 D HN 0.502 nan 8.370 nan 0.000 0.483 527 T N 0.340 114.903 114.554 0.015 0.000 2.831 527 T HA 0.884 5.234 4.350 -0.000 0.000 0.287 527 T C 0.420 175.123 174.700 0.005 0.000 1.070 527 T CA -0.210 61.896 62.100 0.010 0.000 1.010 527 T CB 1.478 70.350 68.868 0.007 0.000 1.264 527 T HN 0.744 nan 8.240 nan 0.000 0.532 528 G N 0.146 108.942 108.800 -0.007 0.000 2.422 528 G HA2 0.181 4.141 3.960 -0.000 0.000 0.607 528 G HA3 0.181 4.141 3.960 -0.000 0.000 0.607 528 G C -0.954 173.933 174.900 -0.022 0.000 1.270 528 G CA -0.661 44.433 45.100 -0.010 0.000 0.992 528 G HN 0.901 nan 8.290 nan 0.000 0.499 529 I N 1.232 121.792 120.570 -0.017 0.000 2.826 529 I HA 0.304 4.474 4.170 -0.000 0.000 0.295 529 I C 1.577 177.695 176.117 0.003 0.000 1.213 529 I CA 1.432 62.716 61.300 -0.027 0.000 1.436 529 I CB 0.682 38.698 38.000 0.025 0.000 1.348 529 I HN 1.453 nan 8.210 nan 0.000 0.570 530 A N 4.362 127.168 122.820 -0.022 0.000 2.628 530 A HA 0.637 4.957 4.320 -0.000 0.000 0.267 530 A C 0.600 178.220 177.584 0.059 0.000 1.159 530 A CA 0.452 52.500 52.037 0.018 0.000 0.972 530 A CB 0.214 19.207 19.000 -0.012 0.000 1.211 530 A HN 1.107 nan 8.150 nan 0.000 0.576 531 G N -1.369 107.481 108.800 0.083 0.000 2.361 531 G HA2 0.355 4.315 3.960 -0.000 0.000 0.331 531 G HA3 0.355 4.315 3.960 -0.000 0.000 0.331 531 G C -1.602 173.385 174.900 0.146 0.000 1.324 531 G CA -0.755 44.485 45.100 0.234 0.000 0.984 531 G HN 0.387 nan 8.290 nan 0.000 0.586 532 Y N -0.578 119.730 120.300 0.013 0.000 2.576 532 Y HA 0.858 5.408 4.550 -0.000 0.000 0.346 532 Y C 0.773 176.683 175.900 0.017 0.000 1.018 532 Y CA -0.994 57.090 58.100 -0.028 0.000 1.050 532 Y CB 2.188 40.605 38.460 -0.072 0.000 1.280 532 Y HN 0.723 nan 8.280 nan 0.000 0.474 533 M N 0.786 120.469 119.600 0.139 0.000 2.691 533 M HA 0.601 5.081 4.480 -0.000 0.000 0.293 533 M C -1.473 174.907 176.300 0.133 0.000 1.259 533 M CA -1.010 54.376 55.300 0.143 0.000 0.827 533 M CB 3.023 35.710 32.600 0.144 0.000 1.753 533 M HN 0.640 nan 8.290 nan 0.000 0.465 534 E N 0.493 120.781 120.200 0.146 0.000 2.256 534 E HA 0.345 4.695 4.350 -0.000 0.000 0.268 534 E C -2.097 174.617 176.600 0.190 0.000 0.877 534 E CA -0.608 55.878 56.400 0.144 0.000 0.757 534 E CB 1.965 31.734 29.700 0.115 0.000 1.183 534 E HN 0.591 nan 8.360 nan 0.000 0.418 535 Y N 4.081 124.416 120.300 0.058 0.000 2.465 535 Y HA 0.113 4.663 4.550 -0.000 0.000 0.331 535 Y C -0.092 175.849 175.900 0.069 0.000 1.102 535 Y CA 0.135 58.273 58.100 0.063 0.000 1.358 535 Y CB 0.591 39.074 38.460 0.038 0.000 1.213 535 Y HN 0.642 nan 8.280 nan 0.000 0.525 536 N N 6.073 124.532 118.700 -0.401 0.000 2.602 536 N HA 0.064 4.804 4.740 -0.000 0.000 0.238 536 N C 0.555 175.682 175.510 -0.639 0.000 1.084 536 N CA -0.363 52.481 53.050 -0.343 0.000 0.952 536 N CB 0.411 38.801 38.487 -0.163 0.000 1.244 536 N HN 0.694 nan 8.380 nan 0.000 0.512 537 K N 0.929 121.058 120.400 -0.451 0.000 2.228 537 K HA -0.234 4.085 4.320 -0.000 0.000 0.205 537 K C 1.177 177.695 176.600 -0.137 0.000 1.045 537 K CA 1.075 57.234 56.287 -0.213 0.000 0.931 537 K CB 0.178 32.712 32.500 0.058 0.000 0.727 537 K HN 0.647 nan 8.250 nan 0.000 0.458 538 E N 0.076 120.199 120.200 -0.129 0.000 2.075 538 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 538 E C 2.031 178.605 176.600 -0.043 0.000 0.969 538 E CA 1.562 57.928 56.400 -0.057 0.000 0.815 538 E CB 0.264 29.936 29.700 -0.045 0.000 0.776 538 E HN 0.414 nan 8.360 nan 0.000 0.457 539 T N -3.675 110.845 114.554 -0.055 0.000 3.031 539 T HA 0.214 4.564 4.350 -0.000 0.000 0.254 539 T C 1.463 176.231 174.700 0.114 0.000 1.060 539 T CA 1.233 63.351 62.100 0.030 0.000 1.135 539 T CB 0.650 69.529 68.868 0.017 0.000 0.896 539 T HN 0.259 nan 8.240 nan 0.000 0.472 540 G N -0.195 108.589 108.800 -0.026 0.000 2.211 540 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.201 540 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.201 540 G C -0.248 174.620 174.900 -0.054 0.000 0.997 540 G CA -0.438 44.626 45.100 -0.060 0.000 0.652 540 G HN 0.466 nan 8.290 nan 0.000 0.500 541 W N 0.266 121.454 121.300 -0.186 0.000 2.303 541 W HA 0.743 5.403 4.660 -0.000 0.000 0.334 541 W C 0.249 176.770 176.519 0.003 0.000 1.197 541 W CA -0.936 56.370 57.345 -0.066 0.000 1.262 541 W CB 0.713 30.128 29.460 -0.075 0.000 1.153 541 W HN -0.033 nan 8.180 nan 0.000 0.596 542 L N 3.434 124.844 121.223 0.310 0.000 2.375 542 L HA 0.170 4.510 4.340 -0.000 0.000 0.276 542 L C 0.214 177.272 176.870 0.313 0.000 1.162 542 L CA -0.703 54.322 54.840 0.308 0.000 0.991 542 L CB -1.191 41.037 42.059 0.282 0.000 1.315 542 L HN 0.380 nan 8.230 nan 0.000 0.431 543 E N 5.437 125.782 120.200 0.242 0.000 2.398 543 E HA 0.126 4.476 4.350 -0.000 0.000 0.263 543 E C -2.038 174.652 176.600 0.150 0.000 1.046 543 E CA -1.251 55.245 56.400 0.162 0.000 0.908 543 E CB 0.494 30.242 29.700 0.080 0.000 0.963 543 E HN 0.364 nan 8.360 nan 0.000 0.431 544 P HA -0.001 nan 4.420 nan 0.000 0.271 544 P C -0.932 176.437 177.300 0.114 0.000 1.218 544 P CA -0.149 63.028 63.100 0.128 0.000 0.780 544 P CB 1.262 33.026 31.700 0.107 0.000 0.901 545 S N 0.829 116.612 115.700 0.137 0.000 2.536 545 S HA 0.410 4.880 4.470 -0.000 0.000 0.287 545 S C -0.409 174.268 174.600 0.128 0.000 1.101 545 S CA -0.578 57.701 58.200 0.131 0.000 0.950 545 S CB 0.655 63.947 63.200 0.154 0.000 1.056 545 S HN 0.477 nan 8.310 nan 0.000 0.481 546 S N 3.517 119.270 115.700 0.088 0.000 2.544 546 S HA 0.435 4.905 4.470 -0.000 0.000 0.290 546 S C -0.692 173.951 174.600 0.072 0.000 1.276 546 S CA 0.009 58.240 58.200 0.051 0.000 1.075 546 S CB -0.268 62.939 63.200 0.012 0.000 0.849 546 S HN 0.766 nan 8.310 nan 0.000 0.494 547 Y N 0.775 120.964 120.300 -0.185 0.000 2.458 547 Y HA 0.401 4.951 4.550 -0.000 0.000 0.330 547 Y C -0.209 175.438 175.900 -0.422 0.000 1.292 547 Y CA -0.354 57.511 58.100 -0.391 0.000 1.262 547 Y CB 0.863 38.869 38.460 -0.756 0.000 1.324 547 Y HN 0.888 nan 8.280 nan 0.000 0.468 548 S N 1.025 116.480 115.700 -0.408 0.000 4.006 548 S HA 0.591 5.061 4.470 -0.000 0.000 0.292 548 S C -0.023 174.486 174.600 -0.152 0.000 1.069 548 S CA -0.213 57.902 58.200 -0.140 0.000 1.237 548 S CB 0.192 63.349 63.200 -0.072 0.000 1.706 548 S HN 1.100 nan 8.310 nan 0.000 0.569 549 G N 0.000 108.758 108.800 -0.071 0.000 5.446 549 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 549 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 549 G CA 0.000 45.077 45.100 -0.038 0.000 0.502 549 G HN 0.000 nan 8.290 nan 0.000 0.925