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 2uxt_1_B DATA FIRST_RESID 31 DATA SEQUENCE QQPLPVPPLL ESRXXQPLFM TVQRAHWSFT XGTRASVWGI NGRYLGPTIR DATA SEQUENCE VWKGDDVKLI YSNRLTENVS MTVAGLQVPG PLMGGPARMM SPNADWAPVL DATA SEQUENCE PIRQNAATLW YHANTPNRTA QQVYNGLAGM WLVEDEVSKS LPIPNHYGVD DATA SEQUENCE DFPVIIQDKR LDNFGTPEYN EPGSGGFVGD TLLVNGVQSP YVEVSRGWVR DATA SEQUENCE LRLLNASNSR RYQLQMNDGR PLHVISGDQG FLPAPVSVKQ LSLAPGERRE DATA SEQUENCE ILVDMSNGDE VSITCXXXXX XXXXXXXXXX XXSILVSTLV LTLRPTGLLP DATA SEQUENCE LVTDSLPMRL LPTEIMAGSP IRSRDISLGD DPGINGQLWD VNRIDVTAQQ DATA SEQUENCE GTWERWTVRA DEPQAFHIEG VMFQIRNVNG AMPFPEDRGW KDTVWVDGQV DATA SEQUENCE ELLVYFGQPS WAHFPFYFNS QTLEMADRGS IGQLLVNPVP 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 31 Q HA 0.000 nan 4.340 nan 0.000 0.214 31 Q C 0.000 176.153 176.000 0.256 0.000 1.003 31 Q CA 0.000 55.886 55.803 0.138 0.000 1.022 31 Q CB 0.000 28.825 28.738 0.145 0.000 1.108 32 Q N 3.118 123.004 119.800 0.142 0.000 2.306 32 Q HA 0.437 4.778 4.340 0.001 0.000 0.241 32 Q C -2.264 173.611 176.000 -0.208 0.000 0.948 32 Q CA -1.652 54.174 55.803 0.038 0.000 0.886 32 Q CB 0.717 29.437 28.738 -0.031 0.000 1.227 32 Q HN 0.430 nan 8.270 nan 0.000 0.457 33 P HA 0.102 nan 4.420 nan 0.000 0.277 33 P C -0.512 176.528 177.300 -0.432 0.000 1.240 33 P CA -0.653 61.924 63.100 -0.873 0.000 0.798 33 P CB 0.463 31.839 31.700 -0.541 0.000 0.979 34 L N 4.623 125.596 121.223 -0.417 0.000 2.418 34 L HA 0.326 4.667 4.340 0.001 0.000 0.274 34 L C -2.315 174.500 176.870 -0.092 0.000 1.135 34 L CA -1.607 53.110 54.840 -0.205 0.000 0.870 34 L CB -0.572 41.342 42.059 -0.241 0.000 1.154 34 L HN 0.243 nan 8.230 nan 0.000 0.462 35 P HA 0.140 nan 4.420 nan 0.000 0.271 35 P C -1.234 176.143 177.300 0.129 0.000 1.216 35 P CA -0.154 63.008 63.100 0.104 0.000 0.771 35 P CB 0.941 32.802 31.700 0.268 0.000 0.864 36 V N 6.084 126.080 119.914 0.138 0.000 2.334 36 V HA 0.280 4.401 4.120 0.001 0.000 0.281 36 V C -2.078 174.137 176.094 0.202 0.000 1.016 36 V CA -1.821 60.569 62.300 0.149 0.000 0.832 36 V CB 1.162 33.051 31.823 0.109 0.000 0.999 36 V HN 0.528 nan 8.190 nan 0.000 0.439 37 P HA 0.178 nan 4.420 nan 0.000 0.268 37 P C -2.495 174.978 177.300 0.288 0.000 1.204 37 P CA -0.936 62.311 63.100 0.245 0.000 0.768 37 P CB -0.082 31.756 31.700 0.230 0.000 0.842 38 P HA 0.006 nan 4.420 nan 0.000 0.266 38 P C -0.651 176.694 177.300 0.075 0.000 1.195 38 P CA -0.059 63.135 63.100 0.157 0.000 0.768 38 P CB 0.473 32.234 31.700 0.102 0.000 0.838 39 L N 5.126 126.334 121.223 -0.025 0.000 2.265 39 L HA 0.308 4.648 4.340 0.001 0.000 0.288 39 L C -0.209 176.559 176.870 -0.170 0.000 1.058 39 L CA -0.353 54.321 54.840 -0.276 0.000 0.809 39 L CB -0.066 41.650 42.059 -0.572 0.000 1.179 39 L HN 0.234 nan 8.230 nan 0.000 0.429 40 L N 2.807 123.922 121.223 -0.179 0.000 2.294 40 L HA 0.703 5.044 4.340 0.001 0.000 0.283 40 L C -0.596 176.152 176.870 -0.203 0.000 1.015 40 L CA -0.540 54.210 54.840 -0.150 0.000 0.831 40 L CB 1.365 43.355 42.059 -0.115 0.000 1.217 40 L HN 0.696 nan 8.230 nan 0.000 0.420 41 E N 2.653 122.761 120.200 -0.152 0.000 2.207 41 E HA 0.505 4.855 4.350 0.001 0.000 0.270 41 E C -0.821 175.730 176.600 -0.083 0.000 0.927 41 E CA -0.836 55.485 56.400 -0.131 0.000 0.799 41 E CB 1.921 31.581 29.700 -0.066 0.000 1.172 41 E HN 0.777 nan 8.360 nan 0.000 0.404 42 S N 4.155 119.819 115.700 -0.061 0.000 2.665 42 S HA 0.373 4.843 4.470 0.001 0.000 0.230 42 S C 0.296 174.915 174.600 0.033 0.000 1.326 42 S CA -1.006 57.175 58.200 -0.033 0.000 1.055 42 S CB 0.406 63.571 63.200 -0.059 0.000 1.178 42 S HN 0.400 nan 8.310 nan 0.000 0.489 47 P HA 0.307 nan 4.420 nan 0.000 0.274 47 P C -0.977 176.282 177.300 -0.068 0.000 1.237 47 P CA -0.139 62.892 63.100 -0.116 0.000 0.793 47 P CB 0.672 32.256 31.700 -0.194 0.000 0.977 48 L N 1.737 122.825 121.223 -0.226 0.000 2.341 48 L HA 0.465 4.806 4.340 0.001 0.000 0.278 48 L C -0.524 176.177 176.870 -0.282 0.000 1.005 48 L CA -0.669 54.086 54.840 -0.141 0.000 0.818 48 L CB 0.833 42.754 42.059 -0.230 0.000 1.259 48 L HN 0.221 nan 8.230 nan 0.000 0.418 49 F N 3.196 123.039 119.950 -0.178 0.000 2.415 49 F HA 0.518 5.046 4.527 0.001 0.000 0.348 49 F C 0.163 175.863 175.800 -0.167 0.000 1.119 49 F CA -0.552 57.350 58.000 -0.163 0.000 1.069 49 F CB 1.721 40.660 39.000 -0.102 0.000 1.124 49 F HN 0.334 nan 8.300 nan 0.000 0.472 50 M N 3.141 122.686 119.600 -0.092 0.000 2.022 50 M HA 0.352 4.833 4.480 0.001 0.000 0.298 50 M C -0.884 175.451 176.300 0.058 0.000 0.909 50 M CA -0.088 55.168 55.300 -0.075 0.000 0.914 50 M CB 1.193 33.621 32.600 -0.288 0.000 1.486 50 M HN 0.454 nan 8.290 nan 0.000 0.415 51 T N 3.633 118.236 114.554 0.082 0.000 2.756 51 T HA 0.510 4.861 4.350 0.001 0.000 0.290 51 T C -0.358 174.379 174.700 0.063 0.000 0.985 51 T CA -0.705 61.444 62.100 0.082 0.000 0.955 51 T CB 0.544 69.451 68.868 0.064 0.000 0.930 51 T HN 0.540 nan 8.240 nan 0.000 0.451 52 V N 3.829 123.771 119.914 0.047 0.000 2.408 52 V HA 0.656 4.776 4.120 0.001 0.000 0.267 52 V C -0.331 175.682 176.094 -0.134 0.000 1.047 52 V CA -0.471 61.816 62.300 -0.022 0.000 0.937 52 V CB 0.304 32.108 31.823 -0.032 0.000 0.999 52 V HN 0.986 nan 8.190 nan 0.000 0.472 53 Q N 4.235 123.948 119.800 -0.144 0.000 2.648 53 Q HA 0.608 4.949 4.340 0.001 0.000 0.300 53 Q C -1.082 174.815 176.000 -0.171 0.000 0.954 53 Q CA -1.328 54.365 55.803 -0.183 0.000 0.757 53 Q CB 1.932 30.627 28.738 -0.072 0.000 1.482 53 Q HN 0.718 nan 8.270 nan 0.000 0.437 54 R N -0.171 120.250 120.500 -0.131 0.000 2.615 54 R HA 0.786 5.127 4.340 0.001 0.000 0.270 54 R C -0.595 175.702 176.300 -0.005 0.000 1.081 54 R CA 0.246 56.356 56.100 0.016 0.000 1.154 54 R CB 1.177 31.506 30.300 0.048 0.000 1.063 54 R HN 0.729 nan 8.270 nan 0.000 0.519 55 A N 0.760 123.576 122.820 -0.007 0.000 2.564 55 A HA 0.451 4.771 4.320 0.001 0.000 0.291 55 A C -1.615 175.870 177.584 -0.166 0.000 1.102 55 A CA -0.896 51.091 52.037 -0.084 0.000 0.660 55 A CB 1.332 20.392 19.000 0.099 0.000 1.283 55 A HN 0.706 nan 8.150 nan 0.000 0.430 56 H N -0.350 118.848 119.070 0.213 0.000 2.492 56 H HA 0.591 5.147 4.556 0.001 0.000 0.345 56 H C -1.215 174.268 175.328 0.259 0.000 1.136 56 H CA -0.203 55.964 56.048 0.198 0.000 1.202 56 H CB 1.798 31.635 29.762 0.126 0.000 1.524 56 H HN 0.727 nan 8.280 nan 0.000 0.506 57 W N 1.446 122.766 121.300 0.034 0.000 3.213 57 W HA 0.231 4.891 4.660 0.001 0.000 0.318 57 W C -1.125 175.215 176.519 -0.299 0.000 1.248 57 W CA -0.707 56.524 57.345 -0.190 0.000 1.187 57 W CB 2.391 31.613 29.460 -0.396 0.000 1.403 57 W HN 0.487 nan 8.180 nan 0.000 0.556 58 S N 3.060 118.302 115.700 -0.764 0.000 2.520 58 S HA 0.353 4.823 4.470 0.001 0.000 0.324 58 S C -0.277 174.043 174.600 -0.467 0.000 1.069 58 S CA -0.595 57.324 58.200 -0.469 0.000 1.121 58 S CB 0.383 63.363 63.200 -0.367 0.000 0.971 58 S HN 0.350 nan 8.310 nan 0.000 0.463 59 F N 2.254 122.228 119.950 0.039 0.000 2.773 59 F HA 0.078 4.605 4.527 0.001 0.000 0.304 59 F C 1.922 177.734 175.800 0.020 0.000 1.129 59 F CA 0.228 58.269 58.000 0.069 0.000 1.378 59 F CB -0.756 38.285 39.000 0.068 0.000 1.095 59 F HN 0.762 nan 8.300 nan 0.000 0.565 63 T N -0.568 113.983 114.554 -0.005 0.000 2.865 63 T HA 0.801 5.151 4.350 0.001 0.000 0.294 63 T C -1.077 173.649 174.700 0.044 0.000 1.119 63 T CA -0.682 61.436 62.100 0.030 0.000 1.007 63 T CB 2.240 71.144 68.868 0.061 0.000 1.225 63 T HN 0.435 nan 8.240 nan 0.000 0.515 64 R N 1.060 121.610 120.500 0.084 0.000 2.604 64 R HA 0.773 5.114 4.340 0.001 0.000 0.281 64 R C -1.528 174.878 176.300 0.177 0.000 1.020 64 R CA -0.598 55.555 56.100 0.087 0.000 0.899 64 R CB 1.749 32.070 30.300 0.036 0.000 1.205 64 R HN 0.847 nan 8.270 nan 0.000 0.450 65 A N 1.664 124.625 122.820 0.236 0.000 2.386 65 A HA 0.565 4.886 4.320 0.001 0.000 0.308 65 A C -1.025 176.761 177.584 0.337 0.000 1.128 65 A CA -0.631 51.587 52.037 0.302 0.000 0.789 65 A CB 1.878 21.113 19.000 0.390 0.000 1.325 65 A HN 0.617 nan 8.150 nan 0.000 0.437 66 S N 0.310 116.190 115.700 0.300 0.000 2.475 66 S HA 0.609 5.080 4.470 0.001 0.000 0.281 66 S C -0.017 174.719 174.600 0.228 0.000 1.198 66 S CA 0.120 58.471 58.200 0.253 0.000 1.063 66 S CB -0.059 63.271 63.200 0.217 0.000 0.972 66 S HN 2.018 nan 8.310 nan 0.000 0.486 67 V N 2.450 122.510 119.914 0.243 0.000 3.119 67 V HA 0.826 4.947 4.120 0.001 0.000 0.311 67 V C -1.346 175.013 176.094 0.442 0.000 1.259 67 V CA -1.147 61.331 62.300 0.297 0.000 1.067 67 V CB 0.848 32.891 31.823 0.366 0.000 1.123 67 V HN 0.844 nan 8.190 nan 0.000 0.463 68 W N -0.771 120.603 121.300 0.123 0.000 2.736 68 W HA 0.952 5.613 4.660 0.001 0.000 0.355 68 W C 0.437 176.972 176.519 0.026 0.000 1.102 68 W CA -0.011 57.370 57.345 0.059 0.000 1.164 68 W CB 1.802 31.286 29.460 0.040 0.000 1.422 68 W HN 1.247 nan 8.180 nan 0.000 0.572 69 G N 0.140 109.054 108.800 0.190 0.000 2.348 69 G HA2 0.497 4.457 3.960 0.001 0.000 0.296 69 G HA3 0.497 4.457 3.960 0.001 0.000 0.296 69 G C -2.386 172.557 174.900 0.072 0.000 1.258 69 G CA -0.852 44.291 45.100 0.073 0.000 0.868 69 G HN 0.171 nan 8.290 nan 0.000 0.488 70 I N 0.678 121.301 120.570 0.089 0.000 2.499 70 I HA 0.478 4.649 4.170 0.001 0.000 0.288 70 I C -0.122 176.054 176.117 0.098 0.000 1.048 70 I CA -0.529 60.840 61.300 0.116 0.000 1.062 70 I CB 1.905 40.030 38.000 0.209 0.000 1.238 70 I HN 0.466 nan 8.210 nan 0.000 0.426 71 N N 3.349 122.094 118.700 0.077 0.000 2.741 71 N HA -0.150 4.591 4.740 0.001 0.000 0.250 71 N C -0.054 175.501 175.510 0.076 0.000 1.115 71 N CA 1.264 54.355 53.050 0.069 0.000 0.724 71 N CB -1.036 37.489 38.487 0.063 0.000 1.090 71 N HN 0.940 nan 8.380 nan 0.000 0.558 72 G N -0.316 108.537 108.800 0.089 0.000 3.003 72 G HA2 0.627 4.588 3.960 0.001 0.000 0.293 72 G HA3 0.627 4.588 3.960 0.001 0.000 0.293 72 G C 0.020 174.998 174.900 0.130 0.000 1.553 72 G CA -0.656 44.496 45.100 0.088 0.000 1.078 72 G HN 0.142 nan 8.290 nan 0.000 0.550 73 R N 0.387 120.964 120.500 0.129 0.000 3.055 73 R HA 0.540 4.881 4.340 0.001 0.000 0.231 73 R C -1.052 175.272 176.300 0.041 0.000 1.443 73 R CA -1.041 55.166 56.100 0.178 0.000 1.063 73 R CB 1.075 31.485 30.300 0.182 0.000 1.514 73 R HN 0.449 nan 8.270 nan 0.000 0.510 74 Y N 1.672 121.725 120.300 -0.411 0.000 2.319 74 Y HA 0.334 4.885 4.550 0.001 0.000 0.328 74 Y C 0.343 175.972 175.900 -0.452 0.000 1.133 74 Y CA -0.073 57.657 58.100 -0.616 0.000 1.265 74 Y CB 0.031 37.556 38.460 -1.558 0.000 1.218 74 Y HN 0.561 nan 8.280 nan 0.000 0.508 75 L N 2.774 123.518 121.223 -0.799 0.000 7.855 75 L HA -0.232 4.109 4.340 0.001 0.000 0.097 75 L C 0.431 177.199 176.870 -0.170 0.000 1.202 75 L CA 0.966 55.495 54.840 -0.518 0.000 1.379 75 L CB -1.636 40.107 42.059 -0.526 0.000 2.900 75 L HN 0.964 nan 8.230 nan 0.000 1.196 76 G N -1.463 107.314 108.800 -0.037 0.000 2.827 76 G HA2 0.756 4.716 3.960 0.001 0.000 0.296 76 G HA3 0.756 4.716 3.960 0.001 0.000 0.296 76 G C -3.062 171.954 174.900 0.193 0.000 1.362 76 G CA -0.368 44.823 45.100 0.152 0.000 0.809 76 G HN 0.461 nan 8.290 nan 0.000 0.522 77 P HA 0.277 nan 4.420 nan 0.000 0.274 77 P C -0.379 177.049 177.300 0.213 0.000 1.246 77 P CA 0.042 63.242 63.100 0.167 0.000 0.795 77 P CB 0.906 32.657 31.700 0.085 0.000 1.006 78 T N 2.436 117.061 114.554 0.119 0.000 2.729 78 T HA 0.320 4.671 4.350 0.001 0.000 0.296 78 T C 0.619 175.253 174.700 -0.110 0.000 0.928 78 T CA 0.057 62.201 62.100 0.074 0.000 1.045 78 T CB -0.453 68.439 68.868 0.040 0.000 0.902 78 T HN 0.163 nan 8.240 nan 0.000 0.500 79 I N 3.346 123.835 120.570 -0.134 0.000 2.581 79 I HA 0.419 4.590 4.170 0.001 0.000 0.288 79 I C 0.618 176.399 176.117 -0.560 0.000 1.047 79 I CA -0.138 60.884 61.300 -0.464 0.000 1.374 79 I CB 0.782 38.267 38.000 -0.859 0.000 1.423 79 I HN 0.437 nan 8.210 nan 0.000 0.549 80 R N 5.446 125.609 120.500 -0.561 0.000 2.538 80 R HA 0.773 5.114 4.340 0.001 0.000 0.292 80 R C -1.784 174.252 176.300 -0.441 0.000 1.008 80 R CA -0.597 55.209 56.100 -0.490 0.000 0.896 80 R CB 1.595 31.679 30.300 -0.360 0.000 1.187 80 R HN 0.526 nan 8.270 nan 0.000 0.440 81 V N 0.421 120.059 119.914 -0.460 0.000 3.130 81 V HA 0.765 4.886 4.120 0.001 0.000 0.310 81 V C -1.587 174.333 176.094 -0.292 0.000 1.158 81 V CA -1.134 61.025 62.300 -0.235 0.000 1.029 81 V CB 1.812 33.530 31.823 -0.176 0.000 1.057 81 V HN 0.750 nan 8.190 nan 0.000 0.436 82 W N 1.072 122.334 121.300 -0.063 0.000 2.573 82 W HA 0.639 5.300 4.660 0.001 0.000 0.326 82 W C 0.330 176.845 176.519 -0.006 0.000 1.049 82 W CA -0.573 56.754 57.345 -0.031 0.000 1.220 82 W CB 1.563 31.000 29.460 -0.038 0.000 1.373 82 W HN 0.820 nan 8.180 nan 0.000 0.507 83 K N 1.640 122.147 120.400 0.179 0.000 2.484 83 K HA 0.291 4.612 4.320 0.001 0.000 0.280 83 K C 1.129 177.813 176.600 0.139 0.000 1.013 83 K CA 1.622 57.982 56.287 0.122 0.000 1.029 83 K CB 0.070 32.624 32.500 0.090 0.000 0.902 83 K HN 0.865 nan 8.250 nan 0.000 0.481 84 G N 2.946 111.800 108.800 0.090 0.000 2.213 84 G HA2 -0.200 3.761 3.960 0.001 0.000 0.236 84 G HA3 -0.200 3.761 3.960 0.001 0.000 0.236 84 G C -0.324 174.612 174.900 0.060 0.000 0.991 84 G CA 0.174 45.314 45.100 0.067 0.000 0.629 84 G HN 0.705 nan 8.290 nan 0.000 0.517 85 D N 1.167 121.617 120.400 0.084 0.000 2.329 85 D HA 0.536 5.177 4.640 0.001 0.000 0.246 85 D C -0.424 175.900 176.300 0.040 0.000 1.111 85 D CA -0.081 53.957 54.000 0.063 0.000 0.941 85 D CB 0.827 41.684 40.800 0.096 0.000 1.169 85 D HN 0.105 nan 8.370 nan 0.000 0.441 86 D N 0.925 121.334 120.400 0.016 0.000 2.446 86 D HA 0.181 4.821 4.640 0.001 0.000 0.251 86 D C -0.492 175.797 176.300 -0.018 0.000 1.137 86 D CA -0.403 53.596 54.000 -0.002 0.000 0.890 86 D CB 1.313 42.104 40.800 -0.014 0.000 1.071 86 D HN 0.082 nan 8.370 nan 0.000 0.528 87 V N 0.449 120.356 119.914 -0.012 0.000 2.383 87 V HA 0.458 4.579 4.120 0.001 0.000 0.275 87 V C 0.049 176.087 176.094 -0.093 0.000 1.036 87 V CA -0.738 61.537 62.300 -0.042 0.000 0.889 87 V CB 1.463 33.274 31.823 -0.021 0.000 0.985 87 V HN 0.190 nan 8.190 nan 0.000 0.459 88 K N 5.235 125.551 120.400 -0.140 0.000 2.285 88 K HA 0.577 4.898 4.320 0.001 0.000 0.286 88 K C -1.063 175.354 176.600 -0.305 0.000 1.072 88 K CA -0.352 55.807 56.287 -0.213 0.000 0.913 88 K CB 1.126 33.507 32.500 -0.199 0.000 1.067 88 K HN 0.850 nan 8.250 nan 0.000 0.479 89 L N 6.756 127.756 121.223 -0.373 0.000 2.287 89 L HA 0.497 4.838 4.340 0.001 0.000 0.287 89 L C -1.149 175.349 176.870 -0.621 0.000 1.022 89 L CA -0.390 54.146 54.840 -0.506 0.000 0.814 89 L CB 1.012 42.779 42.059 -0.486 0.000 1.217 89 L HN 0.709 nan 8.230 nan 0.000 0.420 90 I N 5.919 126.071 120.570 -0.697 0.000 2.307 90 I HA 0.237 4.407 4.170 0.001 0.000 0.287 90 I C -0.881 175.007 176.117 -0.382 0.000 1.054 90 I CA -0.483 60.472 61.300 -0.574 0.000 1.218 90 I CB 0.208 37.720 38.000 -0.814 0.000 1.398 90 I HN 0.491 nan 8.210 nan 0.000 0.475 91 Y N 3.882 124.097 120.300 -0.142 0.000 2.308 91 Y HA 0.361 4.912 4.550 0.001 0.000 0.329 91 Y C 0.706 176.623 175.900 0.029 0.000 1.111 91 Y CA -0.053 58.035 58.100 -0.019 0.000 1.179 91 Y CB 1.498 40.005 38.460 0.079 0.000 1.201 91 Y HN 0.427 nan 8.280 nan 0.000 0.483 92 S N 2.683 118.502 115.700 0.199 0.000 2.594 92 S HA 0.199 4.670 4.470 0.001 0.000 0.296 92 S C -1.156 173.494 174.600 0.082 0.000 1.124 92 S CA -0.962 57.313 58.200 0.125 0.000 1.011 92 S CB 0.833 64.093 63.200 0.100 0.000 1.016 92 S HN 0.585 nan 8.310 nan 0.000 0.485 93 N N 2.154 120.881 118.700 0.045 0.000 2.426 93 N HA 0.298 5.039 4.740 0.001 0.000 0.257 93 N C 0.049 175.530 175.510 -0.049 0.000 1.002 93 N CA -0.449 52.587 53.050 -0.023 0.000 0.942 93 N CB 0.475 38.943 38.487 -0.031 0.000 1.112 93 N HN 0.329 nan 8.380 nan 0.000 0.499 94 R N 3.169 123.612 120.500 -0.095 0.000 2.613 94 R HA 0.326 4.666 4.340 0.001 0.000 0.361 94 R C -0.092 176.113 176.300 -0.159 0.000 1.072 94 R CA -0.242 55.804 56.100 -0.091 0.000 1.089 94 R CB -0.282 29.980 30.300 -0.063 0.000 1.343 94 R HN 0.498 nan 8.270 nan 0.000 0.571 95 L N 0.140 121.217 121.223 -0.242 0.000 2.416 95 L HA 0.315 4.656 4.340 0.001 0.000 0.263 95 L C 1.606 178.388 176.870 -0.146 0.000 1.065 95 L CA -0.300 54.334 54.840 -0.343 0.000 0.798 95 L CB 1.099 42.699 42.059 -0.764 0.000 1.267 95 L HN 0.038 nan 8.230 nan 0.000 0.467 96 T N -3.367 111.157 114.554 -0.050 0.000 3.144 96 T HA 0.128 4.479 4.350 0.001 0.000 0.249 96 T C 0.138 174.872 174.700 0.057 0.000 1.089 96 T CA -0.226 61.895 62.100 0.036 0.000 0.989 96 T CB -0.352 68.569 68.868 0.089 0.000 0.992 96 T HN 0.700 nan 8.240 nan 0.000 0.540 97 E N 0.063 120.289 120.200 0.043 0.000 2.446 97 E HA 0.426 4.777 4.350 0.001 0.000 0.276 97 E C -1.319 175.291 176.600 0.017 0.000 0.969 97 E CA -1.269 55.169 56.400 0.064 0.000 0.800 97 E CB 0.689 30.477 29.700 0.147 0.000 1.341 97 E HN -0.102 nan 8.360 nan 0.000 0.460 98 N N -0.082 118.630 118.700 0.019 0.000 2.479 98 N HA 0.259 5.000 4.740 0.001 0.000 0.257 98 N C -0.880 174.624 175.510 -0.010 0.000 1.232 98 N CA 0.048 53.093 53.050 -0.008 0.000 0.920 98 N CB 1.220 39.700 38.487 -0.010 0.000 1.105 98 N HN 0.318 nan 8.380 nan 0.000 0.444 99 V N 0.587 120.474 119.914 -0.045 0.000 2.711 99 V HA 0.314 4.435 4.120 0.001 0.000 0.304 99 V C -0.550 175.480 176.094 -0.108 0.000 1.097 99 V CA -0.892 61.375 62.300 -0.055 0.000 0.906 99 V CB 1.826 33.608 31.823 -0.068 0.000 1.015 99 V HN 0.792 nan 8.190 nan 0.000 0.427 100 S N 5.660 121.285 115.700 -0.126 0.000 2.472 100 S HA 0.871 5.342 4.470 0.001 0.000 0.303 100 S C -0.714 173.757 174.600 -0.215 0.000 1.099 100 S CA -0.854 57.225 58.200 -0.202 0.000 1.077 100 S CB 1.857 64.940 63.200 -0.196 0.000 1.031 100 S HN 0.478 nan 8.310 nan 0.000 0.487 101 M N 2.370 121.794 119.600 -0.292 0.000 2.528 101 M HA 0.596 5.077 4.480 0.001 0.000 0.321 101 M C -0.207 175.951 176.300 -0.236 0.000 1.153 101 M CA -0.273 54.834 55.300 -0.321 0.000 0.951 101 M CB 1.798 34.036 32.600 -0.603 0.000 1.705 101 M HN 0.920 nan 8.290 nan 0.000 0.451 102 T N 1.160 115.541 114.554 -0.289 0.000 2.900 102 T HA 0.651 5.002 4.350 0.001 0.000 0.303 102 T C -1.472 173.019 174.700 -0.349 0.000 1.142 102 T CA -0.436 61.502 62.100 -0.270 0.000 1.007 102 T CB 1.605 70.280 68.868 -0.321 0.000 1.156 102 T HN 0.373 nan 8.240 nan 0.000 0.490 103 V N 3.822 123.540 119.914 -0.327 0.000 2.304 103 V HA 0.615 4.735 4.120 0.001 0.000 0.269 103 V C 0.824 176.691 176.094 -0.378 0.000 1.036 103 V CA -0.883 61.148 62.300 -0.450 0.000 0.840 103 V CB 0.392 31.697 31.823 -0.863 0.000 1.036 103 V HN 1.097 nan 8.190 nan 0.000 0.466 104 A N 3.952 126.525 122.820 -0.412 0.000 2.524 104 A HA 0.521 4.841 4.320 0.001 0.000 0.250 104 A C 1.541 179.106 177.584 -0.032 0.000 1.078 104 A CA 0.779 52.665 52.037 -0.252 0.000 0.761 104 A CB -0.293 18.416 19.000 -0.485 0.000 1.012 104 A HN 2.010 nan 8.150 nan 0.000 0.500 105 G N 0.931 109.774 108.800 0.071 0.000 2.199 105 G HA2 -0.162 3.798 3.960 0.001 0.000 0.254 105 G HA3 -0.162 3.798 3.960 0.001 0.000 0.254 105 G C 0.133 174.975 174.900 -0.096 0.000 0.982 105 G CA 0.295 45.410 45.100 0.026 0.000 0.632 105 G HN 1.402 nan 8.290 nan 0.000 0.529 106 L N 1.873 122.999 121.223 -0.161 0.000 2.360 106 L HA 0.452 4.793 4.340 0.001 0.000 0.276 106 L C 0.617 177.397 176.870 -0.151 0.000 1.121 106 L CA -0.202 54.517 54.840 -0.200 0.000 0.845 106 L CB 0.718 42.571 42.059 -0.343 0.000 1.143 106 L HN 0.259 nan 8.230 nan 0.000 0.452 107 Q N 6.336 126.057 119.800 -0.131 0.000 2.472 107 Q HA 0.371 4.712 4.340 0.001 0.000 0.227 107 Q C -0.691 175.276 176.000 -0.056 0.000 1.156 107 Q CA -0.162 55.566 55.803 -0.125 0.000 0.924 107 Q CB 0.605 29.262 28.738 -0.135 0.000 1.354 107 Q HN 0.543 nan 8.270 nan 0.000 0.525 108 V N -0.797 119.115 119.914 -0.003 0.000 3.159 108 V HA 0.688 4.808 4.120 0.001 0.000 0.308 108 V C -2.898 173.321 176.094 0.208 0.000 1.190 108 V CA -3.096 59.244 62.300 0.067 0.000 1.037 108 V CB 1.893 33.737 31.823 0.036 0.000 1.060 108 V HN 0.242 nan 8.190 nan 0.000 0.437 109 P HA 0.225 nan 4.420 nan 0.000 0.269 109 P C 1.157 178.558 177.300 0.168 0.000 1.215 109 P CA 0.844 64.088 63.100 0.241 0.000 0.780 109 P CB 0.809 32.644 31.700 0.225 0.000 0.898 110 G N 3.016 111.732 108.800 -0.140 0.000 2.556 110 G HA2 -0.234 3.726 3.960 0.001 0.000 0.220 110 G HA3 -0.234 3.726 3.960 0.001 0.000 0.220 110 G C -1.031 173.846 174.900 -0.039 0.000 1.156 110 G CA 1.040 45.934 45.100 -0.344 0.000 0.766 110 G HN 0.479 nan 8.290 nan 0.000 0.583 111 P HA 0.031 nan 4.420 nan 0.000 0.225 111 P C 1.452 178.689 177.300 -0.105 0.000 1.148 111 P CA 0.735 63.553 63.100 -0.470 0.000 0.779 111 P CB -0.043 31.175 31.700 -0.803 0.000 0.780 112 L N -2.742 118.509 121.223 0.046 0.000 2.667 112 L HA 0.156 4.497 4.340 0.001 0.000 0.232 112 L C 2.022 179.045 176.870 0.255 0.000 1.138 112 L CA -0.100 54.844 54.840 0.173 0.000 0.921 112 L CB -0.482 41.614 42.059 0.061 0.000 1.180 112 L HN -0.054 nan 8.230 nan 0.000 0.487 113 M N 0.082 119.815 119.600 0.221 0.000 2.077 113 M HA -0.046 4.435 4.480 0.001 0.000 0.261 113 M C 1.940 178.358 176.300 0.198 0.000 1.070 113 M CA 2.111 57.525 55.300 0.191 0.000 1.125 113 M CB -0.933 31.784 32.600 0.194 0.000 1.339 113 M HN 0.335 nan 8.290 nan 0.000 0.409 114 G N -2.383 106.510 108.800 0.155 0.000 2.868 114 G HA2 0.463 4.424 3.960 0.001 0.000 0.201 114 G HA3 0.463 4.424 3.960 0.001 0.000 0.201 114 G C 0.610 175.536 174.900 0.044 0.000 1.130 114 G CA 0.700 45.844 45.100 0.074 0.000 0.777 114 G HN 0.716 nan 8.290 nan 0.000 0.680 115 G N 0.356 109.094 108.800 -0.102 0.000 2.416 115 G HA2 -0.034 3.927 3.960 0.001 0.000 0.203 115 G HA3 -0.034 3.927 3.960 0.001 0.000 0.203 115 G C -1.564 173.286 174.900 -0.084 0.000 1.227 115 G CA 0.225 45.306 45.100 -0.032 0.000 1.041 115 G HN 0.307 nan 8.290 nan 0.000 0.546 116 P HA -0.146 nan 4.420 nan 0.000 0.218 116 P C 1.734 179.008 177.300 -0.044 0.000 1.152 116 P CA 3.287 66.388 63.100 0.002 0.000 0.857 116 P CB -0.306 31.475 31.700 0.136 0.000 0.787 117 A N -0.653 122.137 122.820 -0.049 0.000 2.123 117 A HA -0.005 4.316 4.320 0.001 0.000 0.214 117 A C 1.914 179.429 177.584 -0.115 0.000 1.152 117 A CA 0.589 52.564 52.037 -0.103 0.000 0.728 117 A CB -0.353 18.489 19.000 -0.262 0.000 0.814 117 A HN 0.063 nan 8.150 nan 0.000 0.464 118 R N -1.153 119.192 120.500 -0.257 0.000 2.613 118 R HA 0.296 4.637 4.340 0.001 0.000 0.361 118 R C -0.155 175.785 176.300 -0.600 0.000 1.072 118 R CA -0.259 55.469 56.100 -0.620 0.000 1.089 118 R CB -0.309 29.267 30.300 -1.206 0.000 1.343 118 R HN 0.505 nan 8.270 nan 0.000 0.571 119 M N 1.310 120.721 119.600 -0.316 0.000 2.249 119 M HA 0.116 4.596 4.480 0.001 0.000 0.340 119 M C -0.129 176.066 176.300 -0.176 0.000 1.166 119 M CA 0.911 56.079 55.300 -0.219 0.000 1.115 119 M CB 0.558 33.084 32.600 -0.124 0.000 1.606 119 M HN -0.043 nan 8.290 nan 0.000 0.448 120 M N 2.820 122.344 119.600 -0.127 0.000 2.129 120 M HA 0.263 4.744 4.480 0.001 0.000 0.348 120 M C -0.183 176.092 176.300 -0.042 0.000 1.116 120 M CA -0.302 54.961 55.300 -0.060 0.000 1.022 120 M CB 1.713 34.302 32.600 -0.018 0.000 1.599 120 M HN 0.632 nan 8.290 nan 0.000 0.449 121 S N 3.415 119.099 115.700 -0.026 0.000 2.614 121 S HA 0.396 4.867 4.470 0.001 0.000 0.265 121 S C -2.303 172.288 174.600 -0.015 0.000 1.303 121 S CA -1.066 57.123 58.200 -0.018 0.000 1.000 121 S CB 0.544 63.737 63.200 -0.010 0.000 0.935 121 S HN 0.366 nan 8.310 nan 0.000 0.551 122 P HA 0.116 nan 4.420 nan 0.000 0.264 122 P C -0.120 177.175 177.300 -0.008 0.000 1.183 122 P CA 0.703 63.791 63.100 -0.021 0.000 0.763 122 P CB -0.015 31.677 31.700 -0.013 0.000 0.807 123 N N -1.199 117.495 118.700 -0.010 0.000 2.909 123 N HA -0.212 4.529 4.740 0.001 0.000 0.242 123 N C -0.033 175.489 175.510 0.020 0.000 0.975 123 N CA 0.722 53.775 53.050 0.005 0.000 0.921 123 N CB -1.360 37.131 38.487 0.007 0.000 1.112 123 N HN 0.523 nan 8.380 nan 0.000 0.581 124 A N 0.290 123.125 122.820 0.024 0.000 2.269 124 A HA 0.689 5.010 4.320 0.001 0.000 0.327 124 A C -0.153 177.475 177.584 0.073 0.000 1.112 124 A CA -0.092 51.971 52.037 0.043 0.000 0.865 124 A CB 0.855 19.875 19.000 0.033 0.000 1.227 124 A HN 0.283 nan 8.150 nan 0.000 0.498 125 D N -2.281 118.182 120.400 0.104 0.000 2.566 125 D HA 0.599 5.240 4.640 0.001 0.000 0.254 125 D C -1.194 175.262 176.300 0.260 0.000 1.090 125 D CA -0.306 53.789 54.000 0.159 0.000 1.034 125 D CB 0.952 41.822 40.800 0.116 0.000 1.434 125 D HN 0.631 nan 8.370 nan 0.000 0.509 126 W N 0.290 121.628 121.300 0.062 0.000 3.132 126 W HA 0.643 5.303 4.660 0.001 0.000 0.337 126 W C -1.848 174.715 176.519 0.073 0.000 1.082 126 W CA -1.237 56.146 57.345 0.063 0.000 1.242 126 W CB 1.759 31.256 29.460 0.061 0.000 1.354 126 W HN 0.678 nan 8.180 nan 0.000 0.461 127 A N 8.159 130.833 122.820 -0.243 0.000 3.064 127 A HA 0.552 4.872 4.320 0.001 0.000 0.339 127 A C -2.589 174.705 177.584 -0.484 0.000 1.078 127 A CA -1.185 50.622 52.037 -0.383 0.000 0.869 127 A CB -0.005 18.859 19.000 -0.226 0.000 1.067 127 A HN 0.277 nan 8.150 nan 0.000 0.480 128 P HA 0.321 nan 4.420 nan 0.000 0.278 128 P C -0.389 176.694 177.300 -0.362 0.000 1.238 128 P CA -0.106 62.650 63.100 -0.573 0.000 0.794 128 P CB 1.758 32.943 31.700 -0.858 0.000 0.955 129 V N 4.486 124.267 119.914 -0.222 0.000 2.364 129 V HA 0.201 4.321 4.120 0.001 0.000 0.272 129 V C 0.557 176.583 176.094 -0.113 0.000 1.036 129 V CA -0.462 61.746 62.300 -0.154 0.000 0.880 129 V CB 0.575 32.331 31.823 -0.112 0.000 0.991 129 V HN 0.362 nan 8.190 nan 0.000 0.460 130 L N 8.393 129.564 121.223 -0.088 0.000 2.257 130 L HA 0.425 4.765 4.340 0.001 0.000 0.290 130 L C -2.185 174.684 176.870 -0.002 0.000 1.044 130 L CA -1.626 53.190 54.840 -0.039 0.000 0.810 130 L CB 1.718 43.771 42.059 -0.010 0.000 1.193 130 L HN 0.407 nan 8.230 nan 0.000 0.425 131 P HA 0.147 nan 4.420 nan 0.000 0.280 131 P C -0.460 176.856 177.300 0.027 0.000 1.386 131 P CA -0.407 62.700 63.100 0.012 0.000 0.899 131 P CB 0.517 32.222 31.700 0.008 0.000 1.098 132 I N 5.417 126.016 120.570 0.048 0.000 2.471 132 I HA 0.094 4.264 4.170 0.001 0.000 0.294 132 I C 1.177 177.319 176.117 0.042 0.000 1.123 132 I CA 0.402 61.740 61.300 0.064 0.000 1.336 132 I CB -0.801 37.260 38.000 0.101 0.000 1.430 132 I HN 0.189 nan 8.210 nan 0.000 0.533 133 R N 7.220 127.731 120.500 0.018 0.000 2.653 133 R HA 0.307 4.647 4.340 0.001 0.000 0.269 133 R C -0.344 175.941 176.300 -0.025 0.000 1.603 133 R CA -0.335 55.767 56.100 0.003 0.000 1.671 133 R CB 1.268 31.569 30.300 0.001 0.000 1.300 133 R HN 0.788 nan 8.270 nan 0.000 0.668 134 Q N -0.265 119.519 119.800 -0.026 0.000 2.578 134 Q HA 0.362 4.703 4.340 0.001 0.000 0.284 134 Q C -1.260 174.713 176.000 -0.046 0.000 0.960 134 Q CA -0.984 54.781 55.803 -0.064 0.000 0.809 134 Q CB 1.137 29.821 28.738 -0.090 0.000 1.462 134 Q HN -0.057 nan 8.270 nan 0.000 0.392 135 N N 0.357 119.017 118.700 -0.067 0.000 2.371 135 N HA 0.312 5.053 4.740 0.001 0.000 0.243 135 N C -0.246 175.230 175.510 -0.057 0.000 1.287 135 N CA 0.554 53.585 53.050 -0.031 0.000 0.911 135 N CB 0.511 38.993 38.487 -0.008 0.000 1.142 135 N HN 0.739 nan 8.380 nan 0.000 0.451 136 A N -0.010 122.779 122.820 -0.052 0.000 2.561 136 A HA 0.447 4.768 4.320 0.001 0.000 0.234 136 A C 0.224 177.651 177.584 -0.261 0.000 1.055 136 A CA 0.523 52.473 52.037 -0.145 0.000 0.756 136 A CB -0.380 18.567 19.000 -0.088 0.000 0.986 136 A HN 0.828 nan 8.150 nan 0.000 0.505 137 A N 1.366 124.048 122.820 -0.230 0.000 2.583 137 A HA 0.634 4.954 4.320 0.001 0.000 0.292 137 A C -0.351 177.175 177.584 -0.097 0.000 1.045 137 A CA -0.309 51.606 52.037 -0.204 0.000 0.672 137 A CB 0.421 19.355 19.000 -0.111 0.000 1.283 137 A HN 0.997 nan 8.150 nan 0.000 0.419 138 T N 2.400 116.916 114.554 -0.063 0.000 2.811 138 T HA 0.538 4.889 4.350 0.001 0.000 0.309 138 T C 0.220 174.986 174.700 0.110 0.000 1.005 138 T CA 0.124 62.242 62.100 0.030 0.000 0.955 138 T CB -0.638 68.237 68.868 0.012 0.000 0.970 138 T HN 0.438 nan 8.240 nan 0.000 0.496 139 L N 2.374 123.727 121.223 0.217 0.000 2.687 139 L HA 0.804 5.145 4.340 0.001 0.000 0.252 139 L C -0.275 176.869 176.870 0.457 0.000 1.115 139 L CA -1.263 53.751 54.840 0.290 0.000 0.893 139 L CB 0.913 43.089 42.059 0.194 0.000 1.670 139 L HN 0.625 nan 8.230 nan 0.000 0.531 140 W N 0.120 121.497 121.300 0.128 0.000 3.213 140 W HA 0.486 5.147 4.660 0.002 0.000 0.318 140 W C -2.152 174.470 176.519 0.172 0.000 1.248 140 W CA -1.537 55.895 57.345 0.145 0.000 1.187 140 W CB 0.210 29.692 29.460 0.038 0.000 1.403 140 W HN 0.457 nan 8.180 nan 0.000 0.556 141 Y N 0.834 121.213 120.300 0.132 0.000 2.468 141 Y HA 0.800 5.351 4.550 0.001 0.000 0.342 141 Y C -0.525 175.302 175.900 -0.122 0.000 1.021 141 Y CA -1.072 56.953 58.100 -0.125 0.000 1.079 141 Y CB 1.557 40.076 38.460 0.099 0.000 1.226 141 Y HN 0.722 nan 8.280 nan 0.000 0.460 142 H N 0.374 119.274 119.070 -0.283 0.000 2.967 142 H HA 0.789 5.346 4.556 0.001 0.000 0.318 142 H C -1.628 173.593 175.328 -0.178 0.000 1.375 142 H CA -1.146 54.725 56.048 -0.295 0.000 1.132 142 H CB 0.806 30.204 29.762 -0.607 0.000 1.848 142 H HN 0.999 nan 8.280 nan 0.000 0.524 143 A N 1.221 124.058 122.820 0.028 0.000 2.401 143 A HA 0.280 4.600 4.320 0.001 0.000 0.259 143 A C 0.238 177.819 177.584 -0.004 0.000 1.103 143 A CA -0.053 51.976 52.037 -0.014 0.000 0.789 143 A CB -0.287 18.756 19.000 0.072 0.000 1.035 143 A HN 0.881 nan 8.150 nan 0.000 0.491 144 N N 1.157 119.784 118.700 -0.121 0.000 2.451 144 N HA 0.050 4.791 4.740 0.001 0.000 0.271 144 N C -0.689 174.740 175.510 -0.135 0.000 1.410 144 N CA -0.203 52.774 53.050 -0.120 0.000 0.884 144 N CB -0.359 38.007 38.487 -0.201 0.000 1.332 144 N HN 0.290 nan 8.380 nan 0.000 0.498 145 T N 2.923 117.425 114.554 -0.086 0.000 2.871 145 T HA 0.127 4.478 4.350 0.001 0.000 0.296 145 T C -2.524 172.131 174.700 -0.073 0.000 0.998 145 T CA -0.279 61.779 62.100 -0.070 0.000 1.162 145 T CB 0.572 69.428 68.868 -0.019 0.000 0.947 145 T HN 0.180 nan 8.240 nan 0.000 0.536 146 P HA 0.060 nan 4.420 nan 0.000 0.261 146 P C 0.637 177.950 177.300 0.021 0.000 1.183 146 P CA 0.357 63.435 63.100 -0.036 0.000 0.761 146 P CB 0.229 31.997 31.700 0.114 0.000 0.785 147 N N 1.753 120.465 118.700 0.019 0.000 2.961 147 N HA -0.205 4.535 4.740 0.001 0.000 0.223 147 N C 0.437 175.953 175.510 0.010 0.000 0.866 147 N CA 1.370 54.441 53.050 0.035 0.000 1.030 147 N CB -1.066 37.455 38.487 0.057 0.000 1.037 147 N HN 0.536 nan 8.380 nan 0.000 0.608 148 R N -0.808 119.689 120.500 -0.005 0.000 2.572 148 R HA 0.271 4.612 4.340 0.001 0.000 0.370 148 R C 0.904 177.187 176.300 -0.028 0.000 1.005 148 R CA 0.452 56.543 56.100 -0.015 0.000 1.146 148 R CB 0.352 30.659 30.300 0.012 0.000 1.390 148 R HN 0.087 nan 8.270 nan 0.000 0.553 149 T N 1.056 115.593 114.554 -0.029 0.000 2.720 149 T HA -0.192 4.159 4.350 0.001 0.000 0.268 149 T C 2.022 176.704 174.700 -0.029 0.000 1.037 149 T CA 1.747 63.838 62.100 -0.015 0.000 1.144 149 T CB -0.080 68.776 68.868 -0.020 0.000 0.864 149 T HN 0.362 nan 8.240 nan 0.000 0.444 150 A N 1.406 124.193 122.820 -0.056 0.000 1.873 150 A HA -0.203 4.117 4.320 0.001 0.000 0.218 150 A C 2.383 179.796 177.584 -0.285 0.000 1.193 150 A CA 1.518 53.493 52.037 -0.105 0.000 0.629 150 A CB -0.666 18.299 19.000 -0.058 0.000 0.826 150 A HN 0.371 nan 8.150 nan 0.000 0.447 151 Q N -0.787 118.788 119.800 -0.376 0.000 2.079 151 Q HA -0.180 4.160 4.340 0.001 0.000 0.200 151 Q C 2.312 178.148 176.000 -0.274 0.000 0.974 151 Q CA 1.704 57.210 55.803 -0.494 0.000 0.840 151 Q CB -0.273 28.216 28.738 -0.416 0.000 0.898 151 Q HN 0.814 nan 8.270 nan 0.000 0.430 152 Q N -0.447 119.284 119.800 -0.116 0.000 2.124 152 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 152 Q C 2.159 178.211 176.000 0.086 0.000 0.977 152 Q CA 1.255 57.090 55.803 0.053 0.000 0.850 152 Q CB 0.150 28.998 28.738 0.184 0.000 0.901 152 Q HN 0.176 nan 8.270 nan 0.000 0.429 153 V N -0.318 119.624 119.914 0.047 0.000 2.407 153 V HA -0.225 3.896 4.120 0.001 0.000 0.245 153 V C 1.818 177.946 176.094 0.057 0.000 1.041 153 V CA 1.474 63.818 62.300 0.073 0.000 1.040 153 V CB -0.594 31.280 31.823 0.084 0.000 0.671 153 V HN 0.349 nan 8.190 nan 0.000 0.455 154 Y N 1.850 122.080 120.300 -0.116 0.000 2.333 154 Y HA -0.210 4.341 4.550 0.001 0.000 0.290 154 Y C 2.323 178.176 175.900 -0.078 0.000 1.144 154 Y CA 1.687 59.709 58.100 -0.129 0.000 1.228 154 Y CB -0.208 38.047 38.460 -0.342 0.000 0.985 154 Y HN 0.295 nan 8.280 nan 0.000 0.542 155 N N -0.185 118.471 118.700 -0.074 0.000 2.396 155 N HA 0.021 4.762 4.740 0.001 0.000 0.180 155 N C 1.372 176.946 175.510 0.105 0.000 1.028 155 N CA 1.477 54.454 53.050 -0.121 0.000 0.893 155 N CB -0.022 38.195 38.487 -0.449 0.000 0.967 155 N HN 0.509 nan 8.380 nan 0.000 0.440 156 G N -1.002 107.822 108.800 0.041 0.000 2.200 156 G HA2 -0.140 3.821 3.960 0.001 0.000 0.145 156 G HA3 -0.140 3.821 3.960 0.001 0.000 0.145 156 G C -0.244 174.589 174.900 -0.112 0.000 1.021 156 G CA -0.526 44.454 45.100 -0.199 0.000 0.720 156 G HN 0.175 nan 8.290 nan 0.000 0.494 157 L N 1.322 122.584 121.223 0.064 0.000 2.423 157 L HA 0.618 4.959 4.340 0.001 0.000 0.249 157 L C 0.666 177.564 176.870 0.047 0.000 1.276 157 L CA 0.531 55.432 54.840 0.102 0.000 1.199 157 L CB -0.115 42.060 42.059 0.193 0.000 1.407 157 L HN 0.488 nan 8.230 nan 0.000 0.410 158 A N 0.907 123.687 122.820 -0.066 0.000 2.612 158 A HA 0.921 5.241 4.320 0.001 0.000 0.293 158 A C -0.495 176.850 177.584 -0.398 0.000 1.075 158 A CA -0.099 51.854 52.037 -0.140 0.000 0.680 158 A CB 1.903 20.953 19.000 0.082 0.000 1.279 158 A HN 0.454 nan 8.150 nan 0.000 0.411 159 G N -0.427 107.920 108.800 -0.754 0.000 2.559 159 G HA2 0.587 4.548 3.960 0.001 0.000 0.291 159 G HA3 0.587 4.548 3.960 0.001 0.000 0.291 159 G C -1.104 173.603 174.900 -0.323 0.000 1.424 159 G CA -0.379 44.301 45.100 -0.699 0.000 0.786 159 G HN 1.036 nan 8.290 nan 0.000 0.485 160 M N 1.038 120.692 119.600 0.089 0.000 2.249 160 M HA 0.619 5.100 4.480 0.001 0.000 0.351 160 M C -1.151 175.434 176.300 0.475 0.000 1.180 160 M CA -0.782 54.678 55.300 0.268 0.000 1.127 160 M CB 1.283 34.001 32.600 0.196 0.000 1.546 160 M HN 0.599 nan 8.290 nan 0.000 0.461 161 W N 7.861 129.311 121.300 0.251 0.000 2.587 161 W HA 0.449 5.110 4.660 0.001 0.000 0.324 161 W C -2.563 173.992 176.519 0.061 0.000 1.008 161 W CA -0.846 56.613 57.345 0.190 0.000 1.265 161 W CB 0.907 30.514 29.460 0.244 0.000 1.328 161 W HN 0.534 nan 8.180 nan 0.000 0.432 162 L N 6.508 127.691 121.223 -0.065 0.000 2.295 162 L HA 0.538 4.879 4.340 0.001 0.000 0.285 162 L C -0.030 176.737 176.870 -0.172 0.000 1.035 162 L CA -1.141 53.649 54.840 -0.083 0.000 0.806 162 L CB 1.530 43.484 42.059 -0.175 0.000 1.214 162 L HN -0.021 nan 8.230 nan 0.000 0.426 163 V N 2.688 122.556 119.914 -0.078 0.000 2.459 163 V HA 0.406 4.527 4.120 0.001 0.000 0.295 163 V C -0.087 175.825 176.094 -0.302 0.000 1.029 163 V CA -0.710 61.510 62.300 -0.134 0.000 0.874 163 V CB 1.797 33.627 31.823 0.011 0.000 0.985 163 V HN 0.662 nan 8.190 nan 0.000 0.438 164 E N 3.336 123.207 120.200 -0.548 0.000 2.263 164 E HA 0.655 5.005 4.350 0.001 0.000 0.264 164 E C -1.195 175.170 176.600 -0.391 0.000 0.923 164 E CA -0.578 55.389 56.400 -0.722 0.000 0.802 164 E CB 2.659 31.330 29.700 -1.716 0.000 1.228 164 E HN 0.926 nan 8.360 nan 0.000 0.417 165 D N -1.565 118.763 120.400 -0.119 0.000 2.812 165 D HA 0.142 4.783 4.640 0.001 0.000 0.318 165 D C 0.341 176.810 176.300 0.282 0.000 1.234 165 D CA -0.575 53.526 54.000 0.168 0.000 0.989 165 D CB 0.187 41.055 40.800 0.114 0.000 1.442 165 D HN 0.246 nan 8.370 nan 0.000 0.537 166 E N -0.738 119.602 120.200 0.234 0.000 2.268 166 E HA -0.027 4.324 4.350 0.001 0.000 0.195 166 E C 1.751 178.433 176.600 0.137 0.000 0.995 166 E CA 0.579 57.091 56.400 0.188 0.000 0.836 166 E CB 0.143 29.915 29.700 0.120 0.000 0.763 166 E HN 0.233 nan 8.360 nan 0.000 0.491 167 V N 1.163 121.155 119.914 0.130 0.000 2.302 167 V HA -0.242 3.878 4.120 0.001 0.000 0.243 167 V C 2.529 178.670 176.094 0.078 0.000 1.036 167 V CA 1.944 64.296 62.300 0.087 0.000 1.020 167 V CB -0.475 31.413 31.823 0.107 0.000 0.657 167 V HN 0.368 nan 8.190 nan 0.000 0.453 168 S N 0.176 115.995 115.700 0.199 0.000 2.383 168 S HA -0.322 4.149 4.470 0.001 0.000 0.229 168 S C 2.005 176.680 174.600 0.124 0.000 1.030 168 S CA 2.056 60.396 58.200 0.234 0.000 1.002 168 S CB -0.466 62.896 63.200 0.270 0.000 0.829 168 S HN 0.586 nan 8.310 nan 0.000 0.467 169 K N 1.296 121.789 120.400 0.154 0.000 2.097 169 K HA -0.032 4.288 4.320 0.001 0.000 0.205 169 K C 2.317 178.972 176.600 0.093 0.000 1.050 169 K CA 1.375 57.766 56.287 0.173 0.000 0.938 169 K CB -0.281 32.393 32.500 0.290 0.000 0.718 169 K HN 0.585 nan 8.250 nan 0.000 0.442 170 S N -0.057 115.680 115.700 0.061 0.000 2.558 170 S HA 0.094 4.564 4.470 0.001 0.000 0.217 170 S C 0.646 175.233 174.600 -0.023 0.000 0.975 170 S CA -0.359 57.853 58.200 0.020 0.000 0.912 170 S CB -0.148 63.062 63.200 0.017 0.000 0.776 170 S HN 0.133 nan 8.310 nan 0.000 0.526 171 L N 3.091 124.280 121.223 -0.058 0.000 2.380 171 L HA 0.315 4.655 4.340 0.001 0.000 0.273 171 L C -1.969 174.854 176.870 -0.079 0.000 1.138 171 L CA -1.881 52.885 54.840 -0.122 0.000 0.832 171 L CB 0.715 42.618 42.059 -0.261 0.000 1.124 171 L HN 0.108 nan 8.230 nan 0.000 0.454 172 P HA 0.148 nan 4.420 nan 0.000 0.230 172 P C -0.797 176.450 177.300 -0.088 0.000 1.791 172 P CA 0.216 63.279 63.100 -0.061 0.000 1.020 172 P CB -0.571 31.090 31.700 -0.065 0.000 1.977 173 I N -2.477 118.059 120.570 -0.057 0.000 2.969 173 I HA 0.673 4.843 4.170 0.001 0.000 0.307 173 I C -2.994 173.147 176.117 0.041 0.000 1.149 173 I CA -3.781 57.487 61.300 -0.054 0.000 1.008 173 I CB 2.208 40.163 38.000 -0.074 0.000 1.232 173 I HN -0.287 nan 8.210 nan 0.000 0.435 174 P HA 0.089 nan 4.420 nan 0.000 0.262 174 P C -0.878 176.496 177.300 0.123 0.000 1.182 174 P CA 0.322 63.505 63.100 0.138 0.000 0.761 174 P CB 0.075 31.876 31.700 0.168 0.000 0.795 175 N N -0.601 118.189 118.700 0.150 0.000 2.286 175 N HA 0.050 4.790 4.740 0.001 0.000 0.245 175 N C -0.869 174.658 175.510 0.029 0.000 1.363 175 N CA -0.324 52.777 53.050 0.086 0.000 0.822 175 N CB -0.648 37.873 38.487 0.056 0.000 1.345 175 N HN 0.252 nan 8.380 nan 0.000 0.494 176 H N 0.654 119.732 119.070 0.013 0.000 2.818 176 H HA 0.228 4.785 4.556 0.001 0.000 0.269 176 H C -1.012 174.273 175.328 -0.070 0.000 1.277 176 H CA -0.690 55.359 56.048 0.001 0.000 1.290 176 H CB -0.146 29.613 29.762 -0.005 0.000 1.479 176 H HN 0.233 nan 8.280 nan 0.000 0.507 177 Y N 2.266 122.507 120.300 -0.099 0.000 2.881 177 Y HA 0.081 4.631 4.550 0.001 0.000 0.335 177 Y C 1.520 177.278 175.900 -0.236 0.000 1.263 177 Y CA 1.720 59.714 58.100 -0.177 0.000 1.572 177 Y CB 0.069 38.463 38.460 -0.110 0.000 1.237 177 Y HN 0.927 nan 8.280 nan 0.000 0.568 178 G N 2.901 111.076 108.800 -1.041 0.000 2.179 178 G HA2 -0.284 3.677 3.960 0.001 0.000 0.260 178 G HA3 -0.284 3.677 3.960 0.001 0.000 0.260 178 G C 0.376 174.934 174.900 -0.571 0.000 0.977 178 G CA 0.474 45.084 45.100 -0.816 0.000 0.641 178 G HN 0.740 nan 8.290 nan 0.000 0.533 179 V N 0.239 119.810 119.914 -0.571 0.000 3.029 179 V HA 0.253 4.374 4.120 0.001 0.000 0.230 179 V C 1.441 177.501 176.094 -0.056 0.000 1.254 179 V CA 1.800 64.015 62.300 -0.141 0.000 1.276 179 V CB 0.580 32.394 31.823 -0.015 0.000 1.080 179 V HN 0.503 nan 8.190 nan 0.000 0.495 180 D N -1.546 118.764 120.400 -0.150 0.000 2.594 180 D HA 0.184 4.825 4.640 0.001 0.000 0.256 180 D C -0.393 175.902 176.300 -0.008 0.000 1.393 180 D CA 0.066 54.102 54.000 0.060 0.000 0.797 180 D CB 0.498 41.367 40.800 0.115 0.000 1.110 180 D HN 0.363 nan 8.370 nan 0.000 0.495 181 D N 0.155 120.331 120.400 -0.374 0.000 2.478 181 D HA 0.315 4.956 4.640 0.001 0.000 0.240 181 D C -1.656 174.316 176.300 -0.546 0.000 1.364 181 D CA -0.293 53.577 54.000 -0.216 0.000 0.987 181 D CB 0.453 41.216 40.800 -0.062 0.000 1.328 181 D HN -0.110 nan 8.370 nan 0.000 0.584 182 F N 3.268 123.182 119.950 -0.059 0.000 2.546 182 F HA 0.582 5.109 4.527 0.001 0.000 0.320 182 F C -1.925 173.851 175.800 -0.040 0.000 1.076 182 F CA -1.867 56.053 58.000 -0.134 0.000 0.928 182 F CB 2.374 41.313 39.000 -0.101 0.000 1.189 182 F HN 0.035 nan 8.300 nan 0.000 0.465 183 P HA 0.291 nan 4.420 nan 0.000 0.290 183 P C -0.971 176.395 177.300 0.110 0.000 1.276 183 P CA -0.349 62.839 63.100 0.148 0.000 0.808 183 P CB 1.882 33.694 31.700 0.187 0.000 0.966 184 V N 5.512 125.460 119.914 0.057 0.000 2.327 184 V HA 0.275 4.395 4.120 0.001 0.000 0.272 184 V C 0.338 176.412 176.094 -0.034 0.000 1.019 184 V CA -0.328 61.978 62.300 0.009 0.000 0.814 184 V CB 0.614 32.432 31.823 -0.009 0.000 1.040 184 V HN 0.417 nan 8.190 nan 0.000 0.440 185 I N 5.599 126.155 120.570 -0.023 0.000 2.281 185 I HA 0.374 4.545 4.170 0.001 0.000 0.293 185 I C -0.082 175.992 176.117 -0.071 0.000 1.085 185 I CA -0.034 61.231 61.300 -0.059 0.000 1.257 185 I CB 0.708 38.687 38.000 -0.035 0.000 1.430 185 I HN 0.395 nan 8.210 nan 0.000 0.489 186 I N 7.024 127.508 120.570 -0.144 0.000 2.342 186 I HA 0.309 4.480 4.170 0.001 0.000 0.291 186 I C -0.021 176.029 176.117 -0.112 0.000 1.010 186 I CA -0.238 60.935 61.300 -0.211 0.000 1.308 186 I CB 0.742 38.460 38.000 -0.470 0.000 1.400 186 I HN 0.585 nan 8.210 nan 0.000 0.488 187 Q N 4.853 124.648 119.800 -0.009 0.000 2.416 187 Q HA 0.376 4.717 4.340 0.001 0.000 0.281 187 Q C -1.703 174.421 176.000 0.206 0.000 1.067 187 Q CA -1.081 54.805 55.803 0.138 0.000 0.809 187 Q CB 3.001 31.820 28.738 0.135 0.000 1.418 187 Q HN 0.627 nan 8.270 nan 0.000 0.411 188 D N 0.739 121.319 120.400 0.300 0.000 2.350 188 D HA 0.576 5.216 4.640 0.001 0.000 0.245 188 D C -0.789 175.713 176.300 0.337 0.000 1.036 188 D CA -0.531 53.636 54.000 0.279 0.000 0.848 188 D CB 2.170 43.124 40.800 0.257 0.000 1.307 188 D HN 0.307 nan 8.370 nan 0.000 0.469 189 K N 0.686 121.250 120.400 0.274 0.000 2.499 189 K HA 0.511 4.831 4.320 0.001 0.000 0.277 189 K C -0.728 176.056 176.600 0.307 0.000 1.025 189 K CA -0.921 55.587 56.287 0.368 0.000 0.900 189 K CB 2.701 35.205 32.500 0.007 0.000 1.494 189 K HN 0.250 nan 8.250 nan 0.000 0.442 190 R N 1.283 122.018 120.500 0.393 0.000 2.437 190 R HA 0.493 4.834 4.340 0.001 0.000 0.310 190 R C -1.027 175.358 176.300 0.142 0.000 0.955 190 R CA -0.562 55.690 56.100 0.253 0.000 0.851 190 R CB 1.060 31.563 30.300 0.340 0.000 1.161 190 R HN 0.349 nan 8.270 nan 0.000 0.446 191 L N 3.272 124.543 121.223 0.081 0.000 2.341 191 L HA 0.368 4.708 4.340 0.001 0.000 0.278 191 L C -0.227 176.696 176.870 0.088 0.000 1.005 191 L CA -1.031 53.842 54.840 0.054 0.000 0.818 191 L CB 1.806 43.888 42.059 0.038 0.000 1.259 191 L HN 0.672 nan 8.230 nan 0.000 0.418 192 D N 0.908 121.374 120.400 0.110 0.000 2.423 192 D HA 0.070 4.711 4.640 0.001 0.000 0.255 192 D C 0.627 177.044 176.300 0.195 0.000 1.174 192 D CA -0.552 53.533 54.000 0.141 0.000 1.008 192 D CB 0.454 41.334 40.800 0.133 0.000 1.101 192 D HN 0.334 nan 8.370 nan 0.000 0.516 193 N N -0.801 118.045 118.700 0.243 0.000 2.247 193 N HA -0.157 4.584 4.740 0.001 0.000 0.189 193 N C 0.407 176.013 175.510 0.159 0.000 1.009 193 N CA 1.001 54.173 53.050 0.204 0.000 0.872 193 N CB -0.417 38.202 38.487 0.220 0.000 0.980 193 N HN 0.348 nan 8.380 nan 0.000 0.436 194 F N -0.273 119.707 119.950 0.049 0.000 2.660 194 F HA 0.365 4.893 4.527 0.001 0.000 0.297 194 F C 1.617 177.466 175.800 0.081 0.000 1.132 194 F CA -0.671 57.364 58.000 0.058 0.000 1.372 194 F CB -0.483 38.552 39.000 0.058 0.000 1.003 194 F HN 0.015 nan 8.300 nan 0.000 0.524 195 G N 1.073 110.002 108.800 0.215 0.000 2.283 195 G HA2 -0.290 3.670 3.960 0.001 0.000 0.280 195 G HA3 -0.290 3.670 3.960 0.001 0.000 0.280 195 G C 0.327 175.376 174.900 0.247 0.000 1.029 195 G CA 0.615 45.837 45.100 0.203 0.000 0.840 195 G HN 0.316 nan 8.290 nan 0.000 0.505 196 T N 1.409 116.086 114.554 0.203 0.000 2.779 196 T HA 0.544 4.895 4.350 0.001 0.000 0.280 196 T C -2.349 172.382 174.700 0.051 0.000 0.987 196 T CA -1.100 61.096 62.100 0.160 0.000 0.966 196 T CB 2.094 71.055 68.868 0.154 0.000 0.933 196 T HN 0.018 nan 8.240 nan 0.000 0.442 197 P HA 0.147 nan 4.420 nan 0.000 0.267 197 P C -0.614 176.730 177.300 0.073 0.000 1.205 197 P CA -0.173 62.867 63.100 -0.100 0.000 0.765 197 P CB 0.302 31.819 31.700 -0.304 0.000 0.828 198 E N 2.785 123.075 120.200 0.150 0.000 2.210 198 E HA 0.379 4.730 4.350 0.001 0.000 0.266 198 E C -1.627 175.042 176.600 0.115 0.000 0.883 198 E CA -0.933 55.545 56.400 0.130 0.000 0.761 198 E CB 1.491 31.247 29.700 0.092 0.000 1.156 198 E HN 0.329 nan 8.360 nan 0.000 0.412 199 Y N 2.929 123.121 120.300 -0.181 0.000 2.341 199 Y HA 0.369 4.920 4.550 0.001 0.000 0.338 199 Y C -1.225 174.511 175.900 -0.274 0.000 0.965 199 Y CA -0.858 56.899 58.100 -0.573 0.000 1.108 199 Y CB 1.773 39.741 38.460 -0.821 0.000 1.180 199 Y HN 0.668 nan 8.280 nan 0.000 0.458 200 N N 5.595 123.835 118.700 -0.767 0.000 2.483 200 N HA 0.091 4.832 4.740 0.001 0.000 0.267 200 N C -1.391 173.737 175.510 -0.636 0.000 0.998 200 N CA -0.433 52.340 53.050 -0.463 0.000 0.918 200 N CB 1.080 39.487 38.487 -0.134 0.000 1.215 200 N HN 0.850 nan 8.380 nan 0.000 0.500 201 E N 4.851 124.740 120.200 -0.517 0.000 2.292 201 E HA 0.109 4.460 4.350 0.001 0.000 0.265 201 E C -1.793 174.732 176.600 -0.125 0.000 1.093 201 E CA -1.201 55.036 56.400 -0.272 0.000 0.922 201 E CB 0.520 30.200 29.700 -0.032 0.000 1.001 201 E HN 0.359 nan 8.360 nan 0.000 0.444 202 P HA 0.013 nan 4.420 nan 0.000 0.271 202 P C 0.462 177.749 177.300 -0.022 0.000 1.233 202 P CA -0.126 62.945 63.100 -0.047 0.000 0.789 202 P CB 1.006 32.687 31.700 -0.031 0.000 0.951 203 G N -0.182 108.606 108.800 -0.020 0.000 2.426 203 G HA2 -0.030 3.930 3.960 0.001 0.000 0.214 203 G HA3 -0.030 3.930 3.960 0.001 0.000 0.214 203 G C 0.462 175.362 174.900 -0.000 0.000 1.156 203 G CA 0.373 45.468 45.100 -0.009 0.000 0.802 203 G HN 0.638 nan 8.290 nan 0.000 0.534 204 S N -0.525 115.174 115.700 -0.003 0.000 2.756 204 S HA 0.608 5.079 4.470 0.001 0.000 0.303 204 S C 0.184 174.788 174.600 0.007 0.000 1.135 204 S CA 0.558 58.760 58.200 0.004 0.000 1.066 204 S CB 0.472 63.672 63.200 -0.000 0.000 1.008 204 S HN 1.493 nan 8.310 nan 0.000 0.482 205 G N 3.257 112.070 108.800 0.022 0.000 2.416 205 G HA2 0.226 4.187 3.960 0.001 0.000 0.203 205 G HA3 0.226 4.187 3.960 0.001 0.000 0.203 205 G C 0.005 174.938 174.900 0.055 0.000 1.227 205 G CA -0.316 44.803 45.100 0.032 0.000 1.041 205 G HN 1.280 nan 8.290 nan 0.000 0.546 206 G N -1.140 107.697 108.800 0.063 0.000 2.537 206 G HA2 0.724 4.685 3.960 0.001 0.000 0.323 206 G HA3 0.724 4.685 3.960 0.001 0.000 0.323 206 G C -0.671 174.287 174.900 0.097 0.000 1.207 206 G CA -0.169 44.996 45.100 0.109 0.000 0.976 206 G HN 1.288 nan 8.290 nan 0.000 0.487 207 F N 1.007 120.966 119.950 0.014 0.000 2.484 207 F HA 0.512 5.040 4.527 0.002 0.000 0.360 207 F C -0.189 175.610 175.800 -0.002 0.000 1.101 207 F CA 0.018 57.991 58.000 -0.044 0.000 1.251 207 F CB 1.032 40.011 39.000 -0.035 0.000 1.132 207 F HN 0.192 nan 8.300 nan 0.000 0.570 208 V N 5.940 125.276 119.914 -0.964 0.000 2.577 208 V HA 0.616 4.737 4.120 0.001 0.000 0.303 208 V C 0.244 175.819 176.094 -0.866 0.000 1.042 208 V CA -0.442 61.482 62.300 -0.626 0.000 0.872 208 V CB 1.283 32.916 31.823 -0.317 0.000 0.998 208 V HN 1.036 nan 8.190 nan 0.000 0.423 209 G N 1.840 110.391 108.800 -0.415 0.000 2.552 209 G HA2 0.550 4.511 3.960 0.001 0.000 0.318 209 G HA3 0.550 4.511 3.960 0.001 0.000 0.318 209 G C 0.104 174.969 174.900 -0.059 0.000 1.240 209 G CA 0.050 45.056 45.100 -0.156 0.000 1.002 209 G HN 0.728 nan 8.290 nan 0.000 0.493 210 D N -1.767 118.637 120.400 0.005 0.000 2.433 210 D HA 0.074 4.715 4.640 0.001 0.000 0.211 210 D C 0.145 176.473 176.300 0.047 0.000 1.114 210 D CA 0.130 54.137 54.000 0.011 0.000 0.837 210 D CB 0.455 41.255 40.800 -0.001 0.000 0.984 210 D HN 0.146 nan 8.370 nan 0.000 0.505 211 T N 1.324 115.923 114.554 0.075 0.000 2.786 211 T HA 0.425 4.776 4.350 0.001 0.000 0.283 211 T C -0.268 174.493 174.700 0.101 0.000 0.992 211 T CA -0.568 61.580 62.100 0.079 0.000 0.954 211 T CB 2.117 71.027 68.868 0.070 0.000 0.934 211 T HN 0.013 nan 8.240 nan 0.000 0.440 212 L N 4.223 125.502 121.223 0.094 0.000 2.290 212 L HA 0.490 4.830 4.340 0.001 0.000 0.284 212 L C -1.097 175.821 176.870 0.081 0.000 1.078 212 L CA -0.553 54.344 54.840 0.094 0.000 0.815 212 L CB 0.531 42.632 42.059 0.071 0.000 1.162 212 L HN 0.384 nan 8.230 nan 0.000 0.435 213 L N 5.121 126.396 121.223 0.087 0.000 2.354 213 L HA 0.613 4.953 4.340 0.001 0.000 0.269 213 L C -0.676 176.241 176.870 0.078 0.000 1.005 213 L CA -0.564 54.349 54.840 0.120 0.000 0.819 213 L CB 2.175 44.347 42.059 0.189 0.000 1.311 213 L HN 0.161 nan 8.230 nan 0.000 0.423 214 V N 3.324 123.293 119.914 0.091 0.000 2.409 214 V HA 0.406 4.527 4.120 0.001 0.000 0.290 214 V C -0.164 175.999 176.094 0.116 0.000 1.017 214 V CA -0.742 61.589 62.300 0.052 0.000 0.841 214 V CB 1.357 33.178 31.823 -0.003 0.000 1.003 214 V HN 0.821 nan 8.190 nan 0.000 0.426 215 N N 3.850 122.624 118.700 0.123 0.000 2.741 215 N HA -0.212 4.529 4.740 0.001 0.000 0.251 215 N C 1.135 176.833 175.510 0.314 0.000 1.112 215 N CA 1.995 55.145 53.050 0.166 0.000 0.750 215 N CB -1.229 37.349 38.487 0.151 0.000 1.119 215 N HN 1.540 nan 8.380 nan 0.000 0.561 216 G N -2.758 106.268 108.800 0.377 0.000 2.195 216 G HA2 -0.185 3.776 3.960 0.001 0.000 0.224 216 G HA3 -0.185 3.776 3.960 0.001 0.000 0.224 216 G C -0.044 175.195 174.900 0.566 0.000 0.990 216 G CA 0.455 45.853 45.100 0.496 0.000 0.639 216 G HN 1.068 nan 8.290 nan 0.000 0.514 217 V N 0.730 120.866 119.914 0.370 0.000 2.815 217 V HA 0.759 4.879 4.120 0.001 0.000 0.314 217 V C 0.052 176.248 176.094 0.171 0.000 1.064 217 V CA -0.654 61.787 62.300 0.234 0.000 0.952 217 V CB 1.700 33.589 31.823 0.110 0.000 1.020 217 V HN 0.373 nan 8.190 nan 0.000 0.439 218 Q N 2.777 122.660 119.800 0.139 0.000 2.314 218 Q HA 0.346 4.687 4.340 0.001 0.000 0.258 218 Q C 0.471 176.510 176.000 0.066 0.000 0.954 218 Q CA 0.140 56.005 55.803 0.103 0.000 0.890 218 Q CB 1.078 29.874 28.738 0.098 0.000 1.210 218 Q HN 0.926 nan 8.270 nan 0.000 0.410 219 S N 2.274 118.004 115.700 0.049 0.000 3.244 219 S HA -0.142 4.329 4.470 0.001 0.000 0.291 219 S C -1.995 172.627 174.600 0.037 0.000 0.833 219 S CA 0.155 58.374 58.200 0.032 0.000 1.348 219 S CB -1.401 61.819 63.200 0.033 0.000 0.910 219 S HN 0.541 nan 8.310 nan 0.000 0.461 220 P HA 0.393 nan 4.420 nan 0.000 0.279 220 P C -0.326 176.982 177.300 0.014 0.000 1.282 220 P CA -0.546 62.545 63.100 -0.014 0.000 0.788 220 P CB 0.504 32.150 31.700 -0.089 0.000 1.139 221 Y N -2.296 117.967 120.300 -0.060 0.000 2.562 221 Y HA 0.754 5.305 4.550 0.001 0.000 0.343 221 Y C -1.333 174.492 175.900 -0.125 0.000 1.025 221 Y CA -1.538 56.512 58.100 -0.084 0.000 1.082 221 Y CB 1.297 39.718 38.460 -0.065 0.000 1.264 221 Y HN 0.228 nan 8.280 nan 0.000 0.478 222 V N 2.663 122.547 119.914 -0.050 0.000 2.577 222 V HA 0.378 4.499 4.120 0.001 0.000 0.303 222 V C -1.101 174.969 176.094 -0.040 0.000 1.042 222 V CA -0.619 61.541 62.300 -0.233 0.000 0.872 222 V CB 1.777 33.270 31.823 -0.551 0.000 0.998 222 V HN 0.969 nan 8.190 nan 0.000 0.423 223 E N 5.137 125.350 120.200 0.022 0.000 2.229 223 E HA 0.549 4.900 4.350 0.001 0.000 0.283 223 E C -0.559 176.066 176.600 0.043 0.000 1.030 223 E CA -0.275 56.170 56.400 0.075 0.000 0.836 223 E CB 1.912 31.687 29.700 0.124 0.000 1.068 223 E HN 0.720 nan 8.360 nan 0.000 0.401 224 V N -0.497 119.444 119.914 0.045 0.000 3.160 224 V HA 0.606 4.727 4.120 0.001 0.000 0.310 224 V C -0.038 176.090 176.094 0.057 0.000 1.181 224 V CA -1.083 61.267 62.300 0.083 0.000 1.047 224 V CB 1.762 33.638 31.823 0.088 0.000 1.068 224 V HN 0.678 nan 8.190 nan 0.000 0.441 225 S N 0.854 116.591 115.700 0.062 0.000 2.669 225 S HA 0.560 5.031 4.470 0.001 0.000 0.270 225 S C 0.105 174.710 174.600 0.009 0.000 1.225 225 S CA -0.889 57.329 58.200 0.030 0.000 0.991 225 S CB 0.580 63.796 63.200 0.027 0.000 0.987 225 S HN 0.766 nan 8.310 nan 0.000 0.552 226 R N 0.986 121.478 120.500 -0.013 0.000 3.268 226 R HA 0.471 4.812 4.340 0.001 0.000 0.217 226 R C 0.564 176.825 176.300 -0.065 0.000 1.568 226 R CA -0.061 56.012 56.100 -0.045 0.000 1.322 226 R CB -0.474 29.798 30.300 -0.046 0.000 1.280 226 R HN 0.793 nan 8.270 nan 0.000 0.667 227 G N 0.284 109.041 108.800 -0.072 0.000 2.634 227 G HA2 0.223 4.184 3.960 0.001 0.000 0.309 227 G HA3 0.223 4.184 3.960 0.001 0.000 0.309 227 G C -1.641 173.195 174.900 -0.106 0.000 1.299 227 G CA -0.981 44.065 45.100 -0.089 0.000 0.798 227 G HN 0.294 nan 8.290 nan 0.000 0.490 228 W N 0.085 121.408 121.300 0.039 0.000 2.253 228 W HA 0.493 5.154 4.660 0.001 0.000 0.322 228 W C 0.029 176.594 176.519 0.077 0.000 1.342 228 W CA -0.082 57.294 57.345 0.052 0.000 1.218 228 W CB 1.364 30.847 29.460 0.038 0.000 1.205 228 W HN 0.158 nan 8.180 nan 0.000 0.551 229 V N 4.715 124.841 119.914 0.354 0.000 2.540 229 V HA 0.421 4.542 4.120 0.001 0.000 0.302 229 V C -0.161 176.108 176.094 0.292 0.000 1.035 229 V CA -1.429 61.043 62.300 0.286 0.000 0.873 229 V CB 1.596 33.557 31.823 0.230 0.000 0.992 229 V HN 0.459 nan 8.190 nan 0.000 0.428 230 R N 4.477 125.128 120.500 0.253 0.000 2.346 230 R HA 0.713 5.054 4.340 0.001 0.000 0.311 230 R C -1.517 174.911 176.300 0.214 0.000 0.983 230 R CA -0.529 55.696 56.100 0.207 0.000 0.880 230 R CB 0.896 31.291 30.300 0.157 0.000 1.100 230 R HN 0.692 nan 8.270 nan 0.000 0.453 231 L N 5.556 126.884 121.223 0.175 0.000 2.349 231 L HA 0.513 4.853 4.340 0.001 0.000 0.278 231 L C -0.090 176.843 176.870 0.104 0.000 0.996 231 L CA -0.808 54.123 54.840 0.151 0.000 0.825 231 L CB 1.952 44.077 42.059 0.110 0.000 1.243 231 L HN 0.550 nan 8.230 nan 0.000 0.412 232 R N 4.848 125.407 120.500 0.099 0.000 2.296 232 R HA 0.431 4.772 4.340 0.001 0.000 0.327 232 R C -0.864 175.453 176.300 0.029 0.000 1.137 232 R CA -0.532 55.607 56.100 0.065 0.000 1.020 232 R CB 0.429 30.777 30.300 0.080 0.000 1.110 232 R HN 0.516 nan 8.270 nan 0.000 0.499 233 L N 4.417 125.640 121.223 0.000 0.000 2.331 233 L HA 0.344 4.685 4.340 0.001 0.000 0.278 233 L C -0.222 176.595 176.870 -0.088 0.000 1.106 233 L CA -0.578 54.235 54.840 -0.045 0.000 0.824 233 L CB 0.462 42.492 42.059 -0.049 0.000 1.142 233 L HN 0.341 nan 8.230 nan 0.000 0.443 234 L N 4.041 125.182 121.223 -0.137 0.000 2.436 234 L HA 0.487 4.827 4.340 0.001 0.000 0.268 234 L C -0.748 175.956 176.870 -0.277 0.000 0.974 234 L CA -0.308 54.386 54.840 -0.244 0.000 0.826 234 L CB 1.848 43.751 42.059 -0.260 0.000 1.291 234 L HN 0.466 nan 8.230 nan 0.000 0.406 235 N N 3.972 122.477 118.700 -0.325 0.000 2.527 235 N HA 0.494 5.235 4.740 0.001 0.000 0.236 235 N C -0.304 174.984 175.510 -0.371 0.000 0.999 235 N CA 0.234 53.156 53.050 -0.213 0.000 0.935 235 N CB 1.619 40.081 38.487 -0.041 0.000 1.132 235 N HN 0.769 nan 8.380 nan 0.000 0.511 236 A N 2.378 125.033 122.820 -0.274 0.000 2.610 236 A HA 0.290 4.610 4.320 0.001 0.000 0.286 236 A C 0.248 177.838 177.584 0.009 0.000 1.306 236 A CA -0.430 51.453 52.037 -0.257 0.000 0.942 236 A CB -0.172 18.733 19.000 -0.159 0.000 1.112 236 A HN 0.495 nan 8.150 nan 0.000 0.527 237 S N 0.073 115.822 115.700 0.083 0.000 2.617 237 S HA 0.153 4.623 4.470 0.001 0.000 0.269 237 S C 0.986 175.704 174.600 0.197 0.000 1.292 237 S CA -0.529 57.792 58.200 0.203 0.000 1.010 237 S CB 0.787 64.144 63.200 0.262 0.000 0.944 237 S HN 0.516 nan 8.310 nan 0.000 0.536 238 N N 1.210 120.078 118.700 0.280 0.000 2.244 238 N HA -0.058 4.683 4.740 0.001 0.000 0.183 238 N C 1.414 177.048 175.510 0.208 0.000 1.016 238 N CA 1.337 54.542 53.050 0.259 0.000 0.866 238 N CB 0.051 38.754 38.487 0.360 0.000 0.980 238 N HN 0.676 nan 8.380 nan 0.000 0.430 239 S N -2.213 113.595 115.700 0.181 0.000 2.348 239 S HA 0.105 4.576 4.470 0.001 0.000 0.276 239 S C 0.364 175.003 174.600 0.065 0.000 1.027 239 S CA -0.592 57.693 58.200 0.142 0.000 1.386 239 S CB 0.207 63.489 63.200 0.138 0.000 1.122 239 S HN 0.095 nan 8.310 nan 0.000 0.573 240 R N 2.427 122.908 120.500 -0.033 0.000 2.570 240 R HA 0.230 4.571 4.340 0.001 0.000 0.277 240 R C -0.060 175.983 176.300 -0.430 0.000 1.039 240 R CA -0.083 55.861 56.100 -0.259 0.000 1.065 240 R CB 0.427 30.487 30.300 -0.401 0.000 0.964 240 R HN 0.445 nan 8.270 nan 0.000 0.428 241 R N 4.060 124.255 120.500 -0.509 0.000 2.393 241 R HA 0.204 4.544 4.340 0.001 0.000 0.310 241 R C -1.428 174.483 176.300 -0.648 0.000 0.968 241 R CA -0.493 55.254 56.100 -0.588 0.000 0.867 241 R CB 0.797 30.559 30.300 -0.898 0.000 1.124 241 R HN 0.547 nan 8.270 nan 0.000 0.450 242 Y N 1.682 121.845 120.300 -0.228 0.000 2.420 242 Y HA 0.269 4.819 4.550 0.001 0.000 0.334 242 Y C 0.128 175.914 175.900 -0.190 0.000 1.094 242 Y CA -0.679 57.319 58.100 -0.170 0.000 1.126 242 Y CB 1.910 40.298 38.460 -0.120 0.000 1.217 242 Y HN 0.287 nan 8.280 nan 0.000 0.462 243 Q N 4.148 123.945 119.800 -0.004 0.000 2.381 243 Q HA 0.424 4.764 4.340 0.001 0.000 0.263 243 Q C -1.268 174.720 176.000 -0.020 0.000 1.030 243 Q CA -0.392 55.375 55.803 -0.059 0.000 0.772 243 Q CB 1.960 30.645 28.738 -0.089 0.000 1.232 243 Q HN 0.674 nan 8.270 nan 0.000 0.476 244 L N 2.173 123.376 121.223 -0.033 0.000 2.334 244 L HA 0.515 4.856 4.340 0.001 0.000 0.275 244 L C 0.241 177.083 176.870 -0.046 0.000 1.036 244 L CA -0.507 54.312 54.840 -0.034 0.000 0.807 244 L CB 1.052 43.086 42.059 -0.043 0.000 1.231 244 L HN 0.432 nan 8.230 nan 0.000 0.438 245 Q N 1.951 121.728 119.800 -0.039 0.000 2.590 245 Q HA 0.562 4.903 4.340 0.001 0.000 0.295 245 Q C -1.541 174.438 176.000 -0.034 0.000 0.973 245 Q CA -1.117 54.662 55.803 -0.040 0.000 0.768 245 Q CB 2.549 31.265 28.738 -0.037 0.000 1.479 245 Q HN 0.371 nan 8.270 nan 0.000 0.419 246 M N 2.651 122.231 119.600 -0.034 0.000 2.233 246 M HA 0.149 4.630 4.480 0.001 0.000 0.355 246 M C 0.880 177.166 176.300 -0.023 0.000 1.191 246 M CA -0.388 54.895 55.300 -0.028 0.000 1.101 246 M CB 0.464 33.047 32.600 -0.030 0.000 1.592 246 M HN 0.754 nan 8.290 nan 0.000 0.461 247 N N 2.136 120.824 118.700 -0.020 0.000 2.453 247 N HA -0.184 4.556 4.740 0.001 0.000 0.183 247 N C 0.405 175.906 175.510 -0.016 0.000 1.041 247 N CA 1.261 54.301 53.050 -0.017 0.000 0.900 247 N CB -0.344 38.134 38.487 -0.015 0.000 0.961 247 N HN 0.611 nan 8.380 nan 0.000 0.443 248 D N -1.935 118.455 120.400 -0.017 0.000 2.349 248 D HA 0.169 4.810 4.640 0.001 0.000 0.214 248 D C 1.211 177.502 176.300 -0.014 0.000 1.063 248 D CA 0.381 54.372 54.000 -0.015 0.000 0.847 248 D CB -0.426 40.364 40.800 -0.016 0.000 0.933 248 D HN 0.315 nan 8.370 nan 0.000 0.513 249 G N 1.442 110.233 108.800 -0.016 0.000 2.179 249 G HA2 -0.361 3.599 3.960 0.001 0.000 0.260 249 G HA3 -0.361 3.599 3.960 0.001 0.000 0.260 249 G C 0.428 175.317 174.900 -0.018 0.000 0.977 249 G CA 0.288 45.378 45.100 -0.016 0.000 0.641 249 G HN 0.779 nan 8.290 nan 0.000 0.533 250 R N 0.854 121.342 120.500 -0.020 0.000 2.738 250 R HA 0.549 4.889 4.340 0.001 0.000 0.268 250 R C -2.218 174.047 176.300 -0.058 0.000 1.062 250 R CA -0.762 55.325 56.100 -0.022 0.000 1.158 250 R CB 0.314 30.609 30.300 -0.009 0.000 1.046 250 R HN 0.214 nan 8.270 nan 0.000 0.493 251 P HA 0.166 nan 4.420 nan 0.000 0.281 251 P C -0.956 176.137 177.300 -0.346 0.000 1.249 251 P CA -0.497 62.490 63.100 -0.188 0.000 0.810 251 P CB 0.815 32.407 31.700 -0.179 0.000 1.008 252 L N 3.168 124.235 121.223 -0.261 0.000 2.275 252 L HA 0.312 4.652 4.340 0.001 0.000 0.288 252 L C 0.855 177.581 176.870 -0.240 0.000 1.046 252 L CA -0.482 54.236 54.840 -0.205 0.000 0.805 252 L CB 0.156 42.169 42.059 -0.077 0.000 1.193 252 L HN 0.330 nan 8.230 nan 0.000 0.426 253 H N 3.657 122.795 119.070 0.113 0.000 2.741 253 H HA 0.248 4.804 4.556 0.001 0.000 0.282 253 H C -0.426 174.943 175.328 0.069 0.000 1.122 253 H CA -0.489 55.616 56.048 0.096 0.000 1.293 253 H CB 0.822 30.659 29.762 0.125 0.000 1.415 253 H HN 0.254 nan 8.280 nan 0.000 0.472 254 V N 5.789 125.783 119.914 0.133 0.000 2.530 254 V HA 0.026 4.146 4.120 0.001 0.000 0.282 254 V C 1.751 177.910 176.094 0.107 0.000 1.048 254 V CA -0.008 62.353 62.300 0.102 0.000 0.997 254 V CB 0.818 32.685 31.823 0.073 0.000 0.987 254 V HN 0.763 nan 8.190 nan 0.000 0.477 255 I N 0.455 121.097 120.570 0.119 0.000 4.403 255 I HA 0.484 4.655 4.170 0.001 0.000 0.331 255 I C 0.567 176.817 176.117 0.222 0.000 1.327 255 I CA 0.235 61.629 61.300 0.157 0.000 1.175 255 I CB 0.811 38.904 38.000 0.156 0.000 1.165 255 I HN 0.490 nan 8.210 nan 0.000 0.413 256 S N 0.074 115.854 115.700 0.134 0.000 2.615 256 S HA 0.785 5.255 4.470 0.001 0.000 0.269 256 S C -0.553 174.071 174.600 0.041 0.000 1.161 256 S CA -0.151 58.090 58.200 0.068 0.000 0.817 256 S CB 1.975 65.156 63.200 -0.032 0.000 1.131 256 S HN 0.686 nan 8.310 nan 0.000 0.467 257 G N 1.819 110.632 108.800 0.022 0.000 2.421 257 G HA2 0.033 3.994 3.960 0.001 0.000 0.360 257 G HA3 0.033 3.994 3.960 0.001 0.000 0.360 257 G C -0.228 174.663 174.900 -0.016 0.000 1.219 257 G CA -0.461 44.643 45.100 0.006 0.000 1.257 257 G HN 0.544 nan 8.290 nan 0.000 0.609 258 D N 0.502 120.902 120.400 0.000 0.000 2.126 258 D HA -0.117 4.524 4.640 0.001 0.000 0.190 258 D C 2.071 178.363 176.300 -0.012 0.000 1.001 258 D CA 1.385 55.386 54.000 0.002 0.000 0.841 258 D CB 0.325 41.119 40.800 -0.010 0.000 0.949 258 D HN 0.528 nan 8.370 nan 0.000 0.446 259 Q N -0.297 119.494 119.800 -0.015 0.000 2.204 259 Q HA 0.395 4.736 4.340 0.001 0.000 0.209 259 Q C 0.645 176.633 176.000 -0.021 0.000 0.861 259 Q CA 0.011 55.801 55.803 -0.022 0.000 0.971 259 Q CB 1.388 30.114 28.738 -0.019 0.000 1.095 259 Q HN 0.263 nan 8.270 nan 0.000 0.486 260 G N 0.189 108.950 108.800 -0.065 0.000 2.347 260 G HA2 -0.065 3.896 3.960 0.001 0.000 0.341 260 G HA3 -0.065 3.896 3.960 0.001 0.000 0.341 260 G C -1.106 173.727 174.900 -0.112 0.000 1.287 260 G CA -1.195 43.802 45.100 -0.173 0.000 0.984 260 G HN 0.090 nan 8.290 nan 0.000 0.526 261 F N 0.517 120.507 119.950 0.066 0.000 2.595 261 F HA 0.397 4.925 4.527 0.001 0.000 0.359 261 F C 1.636 177.469 175.800 0.055 0.000 1.147 261 F CA -0.179 57.851 58.000 0.050 0.000 1.341 261 F CB 0.382 39.403 39.000 0.035 0.000 1.104 261 F HN 0.278 nan 8.300 nan 0.000 0.603 262 L N 4.346 125.720 121.223 0.251 0.000 2.466 262 L HA 0.131 4.471 4.340 0.001 0.000 0.257 262 L C -1.398 175.544 176.870 0.119 0.000 1.189 262 L CA -1.667 53.254 54.840 0.135 0.000 0.813 262 L CB 0.461 42.580 42.059 0.101 0.000 1.118 262 L HN 0.396 nan 8.230 nan 0.000 0.471 263 P HA -0.087 nan 4.420 nan 0.000 0.216 263 P C -0.402 176.908 177.300 0.017 0.000 1.150 263 P CA 1.032 64.157 63.100 0.041 0.000 0.837 263 P CB 0.313 32.025 31.700 0.019 0.000 0.786 264 A N -2.632 120.200 122.820 0.019 0.000 2.587 264 A HA 0.622 4.942 4.320 0.001 0.000 0.293 264 A C -2.956 174.638 177.584 0.016 0.000 1.087 264 A CA -1.722 50.314 52.037 -0.001 0.000 0.692 264 A CB 0.379 19.375 19.000 -0.006 0.000 1.291 264 A HN -0.243 nan 8.150 nan 0.000 0.407 265 P HA 0.342 nan 4.420 nan 0.000 0.268 265 P C -0.848 176.487 177.300 0.058 0.000 1.205 265 P CA 0.048 63.162 63.100 0.023 0.000 0.771 265 P CB 0.715 32.395 31.700 -0.033 0.000 0.858 266 V N 3.107 123.075 119.914 0.089 0.000 2.444 266 V HA 0.239 4.360 4.120 0.001 0.000 0.294 266 V C -0.103 176.063 176.094 0.122 0.000 1.022 266 V CA -0.387 61.971 62.300 0.096 0.000 0.850 266 V CB 1.826 33.699 31.823 0.083 0.000 0.992 266 V HN 0.437 nan 8.190 nan 0.000 0.426 267 S N 4.301 120.084 115.700 0.137 0.000 2.475 267 S HA 0.675 5.146 4.470 0.001 0.000 0.281 267 S C -0.157 174.464 174.600 0.035 0.000 1.198 267 S CA -0.532 57.729 58.200 0.102 0.000 1.063 267 S CB 1.428 64.738 63.200 0.183 0.000 0.972 267 S HN 0.889 nan 8.310 nan 0.000 0.486 268 V N 1.857 121.758 119.914 -0.022 0.000 3.040 268 V HA 0.631 4.752 4.120 0.001 0.000 0.312 268 V C 0.571 176.633 176.094 -0.053 0.000 1.115 268 V CA -0.941 61.348 62.300 -0.018 0.000 0.998 268 V CB 2.049 33.863 31.823 -0.014 0.000 1.042 268 V HN 0.782 nan 8.190 nan 0.000 0.433 269 K N 1.174 121.547 120.400 -0.044 0.000 2.128 269 K HA 0.276 4.596 4.320 0.001 0.000 0.202 269 K C 0.813 177.374 176.600 -0.064 0.000 1.050 269 K CA 0.731 56.989 56.287 -0.049 0.000 0.966 269 K CB 0.233 32.715 32.500 -0.030 0.000 0.759 269 K HN 0.832 nan 8.250 nan 0.000 0.454 270 Q N 0.678 120.426 119.800 -0.087 0.000 2.359 270 Q HA 0.357 4.698 4.340 0.001 0.000 0.274 270 Q C -2.089 173.832 176.000 -0.132 0.000 1.074 270 Q CA -0.906 54.836 55.803 -0.102 0.000 0.810 270 Q CB 1.711 30.382 28.738 -0.111 0.000 1.342 270 Q HN 0.121 nan 8.270 nan 0.000 0.427 271 L N 2.003 123.161 121.223 -0.109 0.000 2.356 271 L HA 0.478 4.818 4.340 0.001 0.000 0.277 271 L C -0.735 176.068 176.870 -0.112 0.000 0.996 271 L CA 0.051 54.828 54.840 -0.106 0.000 0.822 271 L CB 1.916 43.937 42.059 -0.064 0.000 1.256 271 L HN 0.604 nan 8.230 nan 0.000 0.413 272 S N 4.519 120.134 115.700 -0.141 0.000 2.537 272 S HA 0.665 5.135 4.470 0.001 0.000 0.275 272 S C -0.781 173.752 174.600 -0.111 0.000 1.272 272 S CA -0.394 57.708 58.200 -0.164 0.000 1.050 272 S CB 0.493 63.562 63.200 -0.220 0.000 0.961 272 S HN 0.548 nan 8.310 nan 0.000 0.496 273 L N 5.125 126.286 121.223 -0.104 0.000 2.485 273 L HA 0.706 5.046 4.340 0.001 0.000 0.260 273 L C -0.094 176.746 176.870 -0.051 0.000 0.998 273 L CA 0.003 54.818 54.840 -0.042 0.000 0.883 273 L CB 0.946 43.004 42.059 -0.001 0.000 1.196 273 L HN 0.839 nan 8.230 nan 0.000 0.443 274 A N 5.338 128.118 122.820 -0.066 0.000 2.271 274 A HA 0.842 5.163 4.320 0.001 0.000 0.288 274 A C -2.517 175.098 177.584 0.051 0.000 1.094 274 A CA -1.562 50.455 52.037 -0.035 0.000 0.828 274 A CB -0.119 18.980 19.000 0.165 0.000 1.091 274 A HN 0.550 nan 8.150 nan 0.000 0.493 275 P HA 0.193 nan 4.420 nan 0.000 0.261 275 P C 0.944 178.267 177.300 0.038 0.000 1.183 275 P CA 2.227 65.362 63.100 0.058 0.000 0.761 275 P CB 0.444 32.225 31.700 0.135 0.000 0.785 276 G N 1.969 110.657 108.800 -0.185 0.000 2.199 276 G HA2 -0.243 3.718 3.960 0.001 0.000 0.254 276 G HA3 -0.243 3.718 3.960 0.001 0.000 0.254 276 G C 0.097 174.911 174.900 -0.144 0.000 0.982 276 G CA -0.268 44.727 45.100 -0.174 0.000 0.632 276 G HN 0.542 nan 8.290 nan 0.000 0.529 277 E N 0.115 120.254 120.200 -0.102 0.000 2.343 277 E HA 0.621 4.972 4.350 0.001 0.000 0.269 277 E C 0.229 176.749 176.600 -0.132 0.000 1.047 277 E CA -0.298 56.078 56.400 -0.039 0.000 0.874 277 E CB 0.644 30.360 29.700 0.026 0.000 1.033 277 E HN 0.276 nan 8.360 nan 0.000 0.409 278 R N 1.405 121.863 120.500 -0.070 0.000 2.686 278 R HA 0.499 4.839 4.340 0.001 0.000 0.283 278 R C -0.715 175.568 176.300 -0.028 0.000 0.978 278 R CA -0.570 55.485 56.100 -0.074 0.000 0.897 278 R CB 1.839 32.108 30.300 -0.052 0.000 1.192 278 R HN 0.373 nan 8.270 nan 0.000 0.457 279 R N 1.382 121.868 120.500 -0.024 0.000 2.584 279 R HA 0.310 4.651 4.340 0.001 0.000 0.276 279 R C -1.039 175.269 176.300 0.014 0.000 1.046 279 R CA -0.867 55.234 56.100 0.001 0.000 0.906 279 R CB 2.752 33.054 30.300 0.004 0.000 1.215 279 R HN 0.575 nan 8.270 nan 0.000 0.449 280 E N 3.602 123.822 120.200 0.034 0.000 2.175 280 E HA 0.457 4.808 4.350 0.001 0.000 0.278 280 E C -0.252 176.400 176.600 0.086 0.000 0.969 280 E CA -0.626 55.812 56.400 0.062 0.000 0.796 280 E CB 1.984 31.727 29.700 0.072 0.000 1.104 280 E HN 0.429 nan 8.360 nan 0.000 0.395 281 I N -0.690 119.940 120.570 0.100 0.000 3.002 281 I HA 0.564 4.735 4.170 0.001 0.000 0.310 281 I C -1.254 174.966 176.117 0.172 0.000 1.087 281 I CA -1.269 60.106 61.300 0.125 0.000 1.017 281 I CB 1.493 39.551 38.000 0.097 0.000 1.226 281 I HN 0.342 nan 8.210 nan 0.000 0.443 282 L N 4.240 125.606 121.223 0.238 0.000 2.362 282 L HA 0.671 5.012 4.340 0.001 0.000 0.275 282 L C -0.877 176.319 176.870 0.543 0.000 0.998 282 L CA -1.033 54.015 54.840 0.346 0.000 0.820 282 L CB 2.039 44.216 42.059 0.197 0.000 1.270 282 L HN 0.399 nan 8.230 nan 0.000 0.415 283 V N 1.033 121.233 119.914 0.478 0.000 2.448 283 V HA 0.261 4.382 4.120 0.001 0.000 0.295 283 V C -0.576 175.597 176.094 0.131 0.000 1.025 283 V CA -0.587 61.906 62.300 0.321 0.000 0.859 283 V CB 2.030 33.946 31.823 0.155 0.000 0.988 283 V HN 0.617 nan 8.190 nan 0.000 0.431 284 D N 4.923 125.191 120.400 -0.219 0.000 2.339 284 D HA 0.288 4.928 4.640 0.001 0.000 0.241 284 D C 0.516 176.600 176.300 -0.361 0.000 1.183 284 D CA -0.302 53.231 54.000 -0.778 0.000 0.859 284 D CB 1.214 41.319 40.800 -1.159 0.000 1.067 284 D HN 0.308 nan 8.370 nan 0.000 0.484 285 M N 2.214 121.646 119.600 -0.280 0.000 2.383 285 M HA -0.015 4.466 4.480 0.001 0.000 0.247 285 M C 1.811 178.018 176.300 -0.154 0.000 1.117 285 M CA 0.079 55.288 55.300 -0.153 0.000 0.995 285 M CB -0.606 31.949 32.600 -0.074 0.000 1.480 285 M HN 0.406 nan 8.290 nan 0.000 0.485 286 S N 2.005 117.567 115.700 -0.229 0.000 2.440 286 S HA -0.174 4.297 4.470 0.001 0.000 0.238 286 S C 1.312 175.843 174.600 -0.114 0.000 1.010 286 S CA 1.731 59.827 58.200 -0.173 0.000 0.972 286 S CB -0.872 62.197 63.200 -0.219 0.000 0.774 286 S HN 0.633 nan 8.310 nan 0.000 0.501 287 N N 1.251 119.885 118.700 -0.110 0.000 2.449 287 N HA 0.214 4.955 4.740 0.001 0.000 0.191 287 N C 1.254 176.730 175.510 -0.057 0.000 1.161 287 N CA 0.631 53.637 53.050 -0.074 0.000 0.863 287 N CB -0.860 37.587 38.487 -0.066 0.000 0.980 287 N HN 0.583 nan 8.380 nan 0.000 0.458 288 G N -0.744 108.021 108.800 -0.059 0.000 2.186 288 G HA2 -0.290 3.671 3.960 0.001 0.000 0.266 288 G HA3 -0.290 3.671 3.960 0.001 0.000 0.266 288 G C -0.605 174.271 174.900 -0.041 0.000 0.982 288 G CA 0.526 45.598 45.100 -0.045 0.000 0.670 288 G HN 0.500 nan 8.290 nan 0.000 0.533 289 D N 0.376 120.749 120.400 -0.044 0.000 2.210 289 D HA 0.403 5.043 4.640 0.001 0.000 0.249 289 D C 0.525 176.803 176.300 -0.037 0.000 1.062 289 D CA -0.320 53.657 54.000 -0.038 0.000 0.891 289 D CB 1.059 41.837 40.800 -0.036 0.000 1.186 289 D HN 0.454 nan 8.370 nan 0.000 0.432 290 E N 1.264 121.443 120.200 -0.035 0.000 2.360 290 E HA 0.320 4.671 4.350 0.001 0.000 0.269 290 E C -1.216 175.366 176.600 -0.029 0.000 1.022 290 E CA -0.349 56.031 56.400 -0.033 0.000 0.887 290 E CB 1.106 30.782 29.700 -0.039 0.000 0.990 290 E HN 0.111 nan 8.360 nan 0.000 0.426 291 V N 2.898 122.797 119.914 -0.024 0.000 3.049 291 V HA 0.517 4.638 4.120 0.001 0.000 0.309 291 V C -1.308 174.776 176.094 -0.017 0.000 1.148 291 V CA -0.404 61.883 62.300 -0.021 0.000 0.990 291 V CB 2.703 34.514 31.823 -0.021 0.000 1.039 291 V HN 0.742 nan 8.190 nan 0.000 0.430 292 S N 4.874 120.565 115.700 -0.016 0.000 2.548 292 S HA 0.684 5.155 4.470 0.001 0.000 0.286 292 S C -0.778 173.811 174.600 -0.019 0.000 1.098 292 S CA -0.470 57.721 58.200 -0.015 0.000 0.930 292 S CB 1.702 64.895 63.200 -0.012 0.000 1.070 292 S HN 0.630 nan 8.310 nan 0.000 0.480 293 I N 2.809 123.365 120.570 -0.023 0.000 2.365 293 I HA 0.394 4.564 4.170 0.001 0.000 0.291 293 I C 0.643 176.742 176.117 -0.029 0.000 1.004 293 I CA -0.136 61.147 61.300 -0.029 0.000 1.311 293 I CB 1.409 39.386 38.000 -0.038 0.000 1.401 293 I HN 0.676 nan 8.210 nan 0.000 0.491 294 T N 2.813 117.351 114.554 -0.025 0.000 2.916 294 T HA 0.705 5.056 4.350 0.001 0.000 0.292 294 T C -0.295 174.398 174.700 -0.011 0.000 1.064 294 T CA -0.811 61.279 62.100 -0.017 0.000 1.011 294 T CB 1.740 70.602 68.868 -0.010 0.000 1.152 294 T HN 0.802 nan 8.240 nan 0.000 0.510 314 I N 0.760 121.301 120.570 -0.047 0.000 2.416 314 I HA 0.416 4.587 4.170 0.001 0.000 0.288 314 I C 0.437 176.543 176.117 -0.017 0.000 1.051 314 I CA -0.670 60.609 61.300 -0.035 0.000 1.375 314 I CB 0.250 38.234 38.000 -0.027 0.000 1.407 314 I HN 0.190 nan 8.210 nan 0.000 0.516 315 L N 5.393 126.613 121.223 -0.004 0.000 2.558 315 L HA -0.109 4.232 4.340 0.001 0.000 0.301 315 L C 1.573 178.454 176.870 0.018 0.000 1.267 315 L CA 0.315 55.167 54.840 0.020 0.000 0.854 315 L CB 0.097 42.187 42.059 0.053 0.000 1.103 315 L HN 0.668 nan 8.230 nan 0.000 0.522 316 V N 0.918 120.847 119.914 0.024 0.000 2.302 316 V HA -0.066 4.055 4.120 0.001 0.000 0.243 316 V C 1.156 177.263 176.094 0.021 0.000 1.036 316 V CA 1.682 63.994 62.300 0.020 0.000 1.020 316 V CB 0.835 32.671 31.823 0.023 0.000 0.657 316 V HN 0.772 nan 8.190 nan 0.000 0.453 317 S N -0.356 115.361 115.700 0.029 0.000 2.456 317 S HA 0.379 4.850 4.470 0.001 0.000 0.316 317 S C 0.929 175.547 174.600 0.030 0.000 1.089 317 S CA 0.087 58.303 58.200 0.026 0.000 1.101 317 S CB 1.334 64.551 63.200 0.028 0.000 0.995 317 S HN 0.760 nan 8.310 nan 0.000 0.468 318 T N 2.893 117.460 114.554 0.023 0.000 3.148 318 T HA 0.133 4.484 4.350 0.001 0.000 0.253 318 T C 0.593 175.301 174.700 0.014 0.000 1.134 318 T CA -0.112 62.003 62.100 0.025 0.000 1.051 318 T CB -0.332 68.547 68.868 0.017 0.000 0.959 318 T HN 0.402 nan 8.240 nan 0.000 0.525 319 L N 2.359 123.588 121.223 0.010 0.000 2.418 319 L HA 0.338 4.679 4.340 0.001 0.000 0.274 319 L C 0.942 177.808 176.870 -0.007 0.000 1.135 319 L CA 0.056 54.898 54.840 0.002 0.000 0.870 319 L CB 0.744 42.808 42.059 0.008 0.000 1.154 319 L HN -0.002 nan 8.230 nan 0.000 0.462 320 V N 5.186 125.085 119.914 -0.026 0.000 2.521 320 V HA 0.250 4.370 4.120 0.001 0.000 0.239 320 V C 0.104 176.172 176.094 -0.042 0.000 1.053 320 V CA 0.539 62.808 62.300 -0.053 0.000 1.073 320 V CB 0.076 31.844 31.823 -0.092 0.000 0.746 320 V HN 0.694 nan 8.190 nan 0.000 0.476 321 L N -0.607 120.595 121.223 -0.036 0.000 2.549 321 L HA 0.582 4.923 4.340 0.001 0.000 0.259 321 L C -0.934 175.924 176.870 -0.020 0.000 0.934 321 L CA 0.149 54.969 54.840 -0.035 0.000 0.865 321 L CB 2.209 44.231 42.059 -0.061 0.000 1.352 321 L HN 0.012 nan 8.230 nan 0.000 0.410 322 T N 5.402 119.959 114.554 0.005 0.000 2.771 322 T HA 0.650 5.001 4.350 0.001 0.000 0.281 322 T C -0.587 174.121 174.700 0.013 0.000 0.982 322 T CA -0.171 61.939 62.100 0.017 0.000 0.978 322 T CB 0.823 69.718 68.868 0.044 0.000 0.930 322 T HN 0.388 nan 8.240 nan 0.000 0.447 323 L N 4.255 125.472 121.223 -0.010 0.000 2.257 323 L HA 0.451 4.792 4.340 0.001 0.000 0.290 323 L C 0.669 177.534 176.870 -0.007 0.000 1.044 323 L CA -0.164 54.663 54.840 -0.021 0.000 0.810 323 L CB 0.674 42.717 42.059 -0.027 0.000 1.193 323 L HN 0.361 nan 8.230 nan 0.000 0.425 324 R N 5.047 125.553 120.500 0.011 0.000 2.239 324 R HA 0.327 4.668 4.340 0.001 0.000 0.332 324 R C -2.285 174.014 176.300 -0.001 0.000 0.988 324 R CA -1.609 54.488 56.100 -0.004 0.000 0.859 324 R CB 1.193 31.485 30.300 -0.013 0.000 1.148 324 R HN 0.294 nan 8.270 nan 0.000 0.482 325 P HA 0.045 nan 4.420 nan 0.000 0.238 325 P C 0.495 177.789 177.300 -0.010 0.000 1.794 325 P CA -0.082 63.012 63.100 -0.010 0.000 1.088 325 P CB 0.577 32.262 31.700 -0.025 0.000 1.923 326 T N -1.686 112.869 114.554 0.001 0.000 3.037 326 T HA 0.150 4.500 4.350 0.001 0.000 0.251 326 T C 1.119 175.824 174.700 0.007 0.000 1.079 326 T CA 0.090 62.190 62.100 -0.001 0.000 1.067 326 T CB -0.352 68.517 68.868 0.000 0.000 0.948 326 T HN 0.208 nan 8.240 nan 0.000 0.496 327 G N 2.034 110.845 108.800 0.018 0.000 2.398 327 G HA2 0.445 4.406 3.960 0.001 0.000 0.246 327 G HA3 0.445 4.406 3.960 0.001 0.000 0.246 327 G C 0.463 175.367 174.900 0.008 0.000 1.289 327 G CA -0.593 44.520 45.100 0.020 0.000 0.869 327 G HN 0.263 nan 8.290 nan 0.000 0.543 328 L N 2.172 123.398 121.223 0.005 0.000 2.585 328 L HA 0.298 4.639 4.340 0.001 0.000 0.226 328 L C 1.036 177.905 176.870 -0.002 0.000 1.113 328 L CA 0.584 55.424 54.840 -0.001 0.000 0.876 328 L CB -1.040 41.018 42.059 -0.002 0.000 1.072 328 L HN 0.398 nan 8.230 nan 0.000 0.468 329 L N 3.481 124.704 121.223 -0.000 0.000 2.387 329 L HA 0.360 4.701 4.340 0.001 0.000 0.259 329 L C -2.136 174.731 176.870 -0.007 0.000 1.050 329 L CA -1.285 53.552 54.840 -0.005 0.000 0.922 329 L CB 1.148 43.202 42.059 -0.010 0.000 1.280 329 L HN -0.084 nan 8.230 nan 0.000 0.449 330 P HA 0.179 nan 4.420 nan 0.000 0.275 330 P C 0.530 177.834 177.300 0.008 0.000 1.227 330 P CA -0.354 62.752 63.100 0.009 0.000 0.781 330 P CB 2.117 33.823 31.700 0.009 0.000 0.906 331 L N 2.116 123.345 121.223 0.010 0.000 2.130 331 L HA 0.059 4.400 4.340 0.001 0.000 0.200 331 L C 0.809 177.717 176.870 0.062 0.000 1.075 331 L CA 0.905 55.743 54.840 -0.003 0.000 0.768 331 L CB -0.089 41.931 42.059 -0.064 0.000 0.933 331 L HN 0.117 nan 8.230 nan 0.000 0.451 332 V N -0.597 119.391 119.914 0.122 0.000 2.347 332 V HA 0.181 4.301 4.120 0.001 0.000 0.280 332 V C 0.580 176.844 176.094 0.284 0.000 1.021 332 V CA 0.025 62.441 62.300 0.194 0.000 0.847 332 V CB 1.184 33.135 31.823 0.214 0.000 0.990 332 V HN 0.148 nan 8.190 nan 0.000 0.444 333 T N 1.650 116.344 114.554 0.234 0.000 2.954 333 T HA 0.121 4.472 4.350 0.001 0.000 0.252 333 T C 0.610 175.467 174.700 0.261 0.000 0.983 333 T CA -0.034 62.185 62.100 0.198 0.000 0.941 333 T CB 0.137 69.056 68.868 0.085 0.000 1.141 333 T HN 0.682 nan 8.240 nan 0.000 0.500 334 D N 1.839 122.382 120.400 0.239 0.000 2.384 334 D HA 0.292 4.932 4.640 0.001 0.000 0.244 334 D C 0.475 176.944 176.300 0.282 0.000 1.251 334 D CA 0.126 54.238 54.000 0.186 0.000 0.961 334 D CB 0.674 41.523 40.800 0.082 0.000 1.116 334 D HN 0.150 nan 8.370 nan 0.000 0.484 335 S N -0.415 115.384 115.700 0.165 0.000 2.580 335 S HA 0.103 4.574 4.470 0.001 0.000 0.266 335 S C 0.542 175.078 174.600 -0.107 0.000 1.354 335 S CA -0.642 57.637 58.200 0.132 0.000 1.008 335 S CB 0.312 63.550 63.200 0.062 0.000 0.898 335 S HN 0.223 nan 8.310 nan 0.000 0.555 336 L N 2.978 124.042 121.223 -0.265 0.000 2.456 336 L HA 0.191 4.532 4.340 0.001 0.000 0.272 336 L C -1.595 175.123 176.870 -0.253 0.000 1.189 336 L CA -1.469 53.090 54.840 -0.468 0.000 0.846 336 L CB -0.168 41.573 42.059 -0.531 0.000 1.111 336 L HN 0.468 nan 8.230 nan 0.000 0.475 337 P HA 0.021 nan 4.420 nan 0.000 0.269 337 P C 0.388 177.611 177.300 -0.128 0.000 1.209 337 P CA -0.184 62.818 63.100 -0.163 0.000 0.776 337 P CB 0.850 32.444 31.700 -0.178 0.000 0.876 338 M N 0.327 119.873 119.600 -0.089 0.000 2.200 338 M HA -0.060 4.421 4.480 0.001 0.000 0.265 338 M C 1.194 177.458 176.300 -0.061 0.000 1.066 338 M CA 1.616 56.878 55.300 -0.063 0.000 1.127 338 M CB -0.039 32.535 32.600 -0.043 0.000 1.379 338 M HN 0.331 nan 8.290 nan 0.000 0.420 339 R N -0.652 119.804 120.500 -0.072 0.000 2.750 339 R HA 0.519 4.859 4.340 0.001 0.000 0.281 339 R C -0.281 175.951 176.300 -0.113 0.000 0.972 339 R CA -0.206 55.853 56.100 -0.069 0.000 0.912 339 R CB 1.707 31.979 30.300 -0.048 0.000 1.187 339 R HN 0.059 nan 8.270 nan 0.000 0.464 340 L N 1.600 122.752 121.223 -0.118 0.000 2.924 340 L HA 0.396 4.737 4.340 0.001 0.000 0.172 340 L C 0.356 177.121 176.870 -0.176 0.000 1.292 340 L CA -0.414 54.285 54.840 -0.235 0.000 0.870 340 L CB -0.150 41.771 42.059 -0.230 0.000 1.305 340 L HN 0.356 nan 8.230 nan 0.000 0.535 341 L N 3.134 124.344 121.223 -0.022 0.000 2.499 341 L HA 0.040 4.380 4.340 0.001 0.000 0.273 341 L C -1.295 175.597 176.870 0.036 0.000 1.195 341 L CA -1.074 53.814 54.840 0.080 0.000 0.882 341 L CB 1.071 43.226 42.059 0.160 0.000 1.133 341 L HN 0.007 nan 8.230 nan 0.000 0.483 342 P HA -0.052 nan 4.420 nan 0.000 0.218 342 P C 0.668 177.992 177.300 0.040 0.000 1.152 342 P CA 0.663 63.778 63.100 0.025 0.000 0.826 342 P CB 0.092 31.809 31.700 0.028 0.000 0.790 343 T N -0.250 114.344 114.554 0.067 0.000 2.849 343 T HA 0.217 4.568 4.350 0.001 0.000 0.276 343 T C 0.019 174.763 174.700 0.072 0.000 0.971 343 T CA -0.611 61.532 62.100 0.071 0.000 0.949 343 T CB 0.762 69.686 68.868 0.093 0.000 1.093 343 T HN -0.206 nan 8.240 nan 0.000 0.545 344 E N 1.122 121.359 120.200 0.063 0.000 2.250 344 E HA 0.320 4.671 4.350 0.001 0.000 0.269 344 E C -0.255 176.377 176.600 0.053 0.000 1.018 344 E CA -0.631 55.794 56.400 0.040 0.000 0.873 344 E CB 1.135 30.846 29.700 0.018 0.000 1.134 344 E HN 0.506 nan 8.360 nan 0.000 0.403 345 I N 3.472 124.035 120.570 -0.013 0.000 2.256 345 I HA 0.146 4.317 4.170 0.001 0.000 0.294 345 I C 0.114 176.163 176.117 -0.113 0.000 1.127 345 I CA -0.023 61.214 61.300 -0.105 0.000 1.247 345 I CB -0.482 37.342 38.000 -0.294 0.000 1.460 345 I HN 0.195 nan 8.210 nan 0.000 0.511 346 M N 4.531 124.118 119.600 -0.022 0.000 2.238 346 M HA 0.506 4.987 4.480 0.001 0.000 0.350 346 M C 0.190 176.428 176.300 -0.104 0.000 1.138 346 M CA -0.531 54.735 55.300 -0.057 0.000 1.040 346 M CB 1.856 34.442 32.600 -0.024 0.000 1.639 346 M HN 0.475 nan 8.290 nan 0.000 0.451 347 A N 2.525 125.222 122.820 -0.204 0.000 2.362 347 A HA 0.661 4.982 4.320 0.001 0.000 0.276 347 A C 0.721 177.912 177.584 -0.656 0.000 1.153 347 A CA -0.249 51.575 52.037 -0.355 0.000 0.813 347 A CB 0.063 18.937 19.000 -0.210 0.000 1.081 347 A HN 0.988 nan 8.150 nan 0.000 0.507 348 G N 1.028 108.881 108.800 -1.578 0.000 2.621 348 G HA2 0.448 4.409 3.960 0.001 0.000 0.271 348 G HA3 0.448 4.409 3.960 0.001 0.000 0.271 348 G C -0.004 174.350 174.900 -0.910 0.000 1.236 348 G CA -0.269 43.834 45.100 -1.661 0.000 0.958 348 G HN 0.800 nan 8.290 nan 0.000 0.512 349 S N 1.880 117.250 115.700 -0.551 0.000 2.438 349 S HA 0.454 4.925 4.470 0.001 0.000 0.293 349 S C -2.304 172.293 174.600 -0.005 0.000 1.141 349 S CA -0.821 57.265 58.200 -0.191 0.000 1.080 349 S CB 1.693 64.838 63.200 -0.092 0.000 0.978 349 S HN 0.533 nan 8.310 nan 0.000 0.479 350 P HA 0.293 nan 4.420 nan 0.000 0.280 350 P C 0.541 177.953 177.300 0.188 0.000 1.244 350 P CA -0.542 62.706 63.100 0.247 0.000 0.784 350 P CB 1.029 32.872 31.700 0.238 0.000 0.913 351 I N 2.195 122.896 120.570 0.218 0.000 2.761 351 I HA -0.063 4.108 4.170 0.001 0.000 0.261 351 I C 1.085 177.265 176.117 0.105 0.000 1.198 351 I CA 0.703 62.087 61.300 0.141 0.000 1.482 351 I CB 0.044 38.123 38.000 0.131 0.000 1.100 351 I HN 0.494 nan 8.210 nan 0.000 0.445 352 R N -0.724 119.854 120.500 0.130 0.000 2.752 352 R HA 0.377 4.717 4.340 0.001 0.000 0.277 352 R C -1.249 175.124 176.300 0.121 0.000 1.024 352 R CA -0.466 55.688 56.100 0.090 0.000 0.866 352 R CB 0.745 31.072 30.300 0.045 0.000 1.278 352 R HN -0.024 nan 8.270 nan 0.000 0.473 353 S N 0.418 116.155 115.700 0.062 0.000 2.664 353 S HA 0.780 5.250 4.470 0.001 0.000 0.304 353 S C -0.576 173.982 174.600 -0.069 0.000 1.099 353 S CA -1.075 57.156 58.200 0.051 0.000 1.003 353 S CB 1.921 65.138 63.200 0.028 0.000 1.092 353 S HN 0.595 nan 8.310 nan 0.000 0.525 354 R N 0.654 121.053 120.500 -0.169 0.000 2.795 354 R HA 0.544 4.885 4.340 0.001 0.000 0.275 354 R C -1.745 174.371 176.300 -0.307 0.000 0.981 354 R CA -0.575 55.274 56.100 -0.418 0.000 0.917 354 R CB 1.525 31.163 30.300 -1.104 0.000 1.202 354 R HN 0.842 nan 8.270 nan 0.000 0.469 355 D N 2.435 122.659 120.400 -0.293 0.000 2.440 355 D HA 0.279 4.920 4.640 0.001 0.000 0.252 355 D C -0.743 175.425 176.300 -0.221 0.000 1.180 355 D CA -0.358 53.523 54.000 -0.199 0.000 0.894 355 D CB 1.035 41.759 40.800 -0.128 0.000 1.111 355 D HN 0.232 nan 8.370 nan 0.000 0.544 356 I N 2.533 122.961 120.570 -0.237 0.000 2.354 356 I HA 0.159 4.330 4.170 0.001 0.000 0.286 356 I C 0.427 176.440 176.117 -0.174 0.000 1.007 356 I CA -0.556 60.617 61.300 -0.213 0.000 1.167 356 I CB 0.920 38.745 38.000 -0.292 0.000 1.320 356 I HN 0.174 nan 8.210 nan 0.000 0.458 357 S N 6.635 122.278 115.700 -0.095 0.000 2.438 357 S HA 0.524 4.995 4.470 0.001 0.000 0.316 357 S C 0.909 175.483 174.600 -0.044 0.000 1.084 357 S CA -0.591 57.559 58.200 -0.082 0.000 1.107 357 S CB 0.787 63.953 63.200 -0.057 0.000 0.981 357 S HN 0.534 nan 8.310 nan 0.000 0.466 358 L N 4.753 125.934 121.223 -0.069 0.000 2.446 358 L HA 0.284 4.624 4.340 0.001 0.000 0.219 358 L C 1.914 178.777 176.870 -0.013 0.000 1.116 358 L CA 0.379 55.209 54.840 -0.017 0.000 0.844 358 L CB -1.236 40.802 42.059 -0.034 0.000 0.970 358 L HN 0.985 nan 8.230 nan 0.000 0.457 359 G N 2.254 111.033 108.800 -0.035 0.000 2.614 359 G HA2 -0.438 3.523 3.960 0.001 0.000 0.303 359 G HA3 -0.438 3.523 3.960 0.001 0.000 0.303 359 G C 0.240 175.126 174.900 -0.024 0.000 1.270 359 G CA 0.794 45.878 45.100 -0.026 0.000 0.988 359 G HN 0.571 nan 8.290 nan 0.000 0.551 360 D N -1.002 119.391 120.400 -0.011 0.000 2.514 360 D HA 0.285 4.926 4.640 0.001 0.000 0.225 360 D C 0.163 176.466 176.300 0.005 0.000 1.159 360 D CA 0.481 54.477 54.000 -0.008 0.000 0.823 360 D CB 0.455 41.249 40.800 -0.010 0.000 1.097 360 D HN 0.391 nan 8.370 nan 0.000 0.519 361 D N 0.436 120.843 120.400 0.012 0.000 2.392 361 D HA 0.375 5.015 4.640 0.001 0.000 0.246 361 D C -2.462 173.857 176.300 0.033 0.000 1.013 361 D CA -1.618 52.394 54.000 0.020 0.000 0.993 361 D CB 1.416 42.226 40.800 0.018 0.000 1.219 361 D HN -0.134 nan 8.370 nan 0.000 0.538 362 P HA 0.333 nan 4.420 nan 0.000 0.266 362 P C -0.068 177.268 177.300 0.059 0.000 1.195 362 P CA 0.434 63.566 63.100 0.053 0.000 0.768 362 P CB 0.429 32.160 31.700 0.052 0.000 0.838 363 G N 1.612 110.458 108.800 0.077 0.000 2.539 363 G HA2 -0.003 3.958 3.960 0.001 0.000 0.686 363 G HA3 -0.003 3.958 3.960 0.001 0.000 0.686 363 G C -1.392 173.566 174.900 0.097 0.000 1.258 363 G CA -0.917 44.236 45.100 0.087 0.000 0.846 363 G HN 0.443 nan 8.290 nan 0.000 0.647 364 I N 1.134 121.775 120.570 0.118 0.000 2.433 364 I HA 0.382 4.552 4.170 0.001 0.000 0.292 364 I C 0.365 176.548 176.117 0.111 0.000 1.001 364 I CA -0.893 60.493 61.300 0.143 0.000 1.119 364 I CB 1.832 39.984 38.000 0.254 0.000 1.289 364 I HN 0.589 nan 8.210 nan 0.000 0.438 365 N N 4.640 123.383 118.700 0.072 0.000 2.727 365 N HA -0.193 4.547 4.740 0.001 0.000 0.249 365 N C 0.883 176.415 175.510 0.037 0.000 1.048 365 N CA 1.353 54.427 53.050 0.040 0.000 0.714 365 N CB -0.941 37.573 38.487 0.045 0.000 0.959 365 N HN 1.178 nan 8.380 nan 0.000 0.544 366 G N -1.242 107.579 108.800 0.035 0.000 2.155 366 G HA2 -0.331 3.629 3.960 0.001 0.000 0.257 366 G HA3 -0.331 3.629 3.960 0.001 0.000 0.257 366 G C -0.162 174.760 174.900 0.036 0.000 0.983 366 G CA 0.802 45.919 45.100 0.029 0.000 0.676 366 G HN 0.578 nan 8.290 nan 0.000 0.528 367 Q N -0.803 119.029 119.800 0.053 0.000 2.375 367 Q HA 0.690 5.031 4.340 0.001 0.000 0.271 367 Q C 0.056 176.101 176.000 0.075 0.000 1.074 367 Q CA -0.905 54.930 55.803 0.054 0.000 0.808 367 Q CB 2.128 30.899 28.738 0.055 0.000 1.327 367 Q HN 0.287 nan 8.270 nan 0.000 0.441 368 L N 0.826 122.089 121.223 0.066 0.000 2.399 368 L HA 0.339 4.680 4.340 0.001 0.000 0.266 368 L C -0.116 176.834 176.870 0.134 0.000 1.114 368 L CA -0.721 54.177 54.840 0.097 0.000 0.804 368 L CB 0.367 42.467 42.059 0.069 0.000 1.146 368 L HN 0.666 nan 8.230 nan 0.000 0.451 369 W N 3.590 124.875 121.300 -0.025 0.000 2.343 369 W HA -0.001 4.659 4.660 0.001 0.000 0.337 369 W C -0.204 176.297 176.519 -0.029 0.000 1.320 369 W CA 0.087 57.407 57.345 -0.042 0.000 1.290 369 W CB 0.109 29.523 29.460 -0.075 0.000 1.206 369 W HN 0.349 nan 8.180 nan 0.000 0.565 370 D N 5.309 125.440 120.400 -0.448 0.000 2.575 370 D HA 0.080 4.721 4.640 0.001 0.000 0.250 370 D C 0.938 176.869 176.300 -0.614 0.000 1.279 370 D CA -0.322 53.352 54.000 -0.544 0.000 0.925 370 D CB 1.419 42.087 40.800 -0.221 0.000 1.261 370 D HN 0.291 nan 8.370 nan 0.000 0.567 371 V N 2.474 121.884 119.914 -0.840 0.000 2.453 371 V HA -0.232 3.888 4.120 0.001 0.000 0.252 371 V C 1.309 177.308 176.094 -0.157 0.000 1.068 371 V CA 1.810 63.855 62.300 -0.427 0.000 1.070 371 V CB -0.910 30.685 31.823 -0.380 0.000 0.664 371 V HN 0.423 nan 8.190 nan 0.000 0.461 372 N N 0.129 118.724 118.700 -0.175 0.000 2.457 372 N HA 0.026 4.767 4.740 0.001 0.000 0.180 372 N C 1.042 176.527 175.510 -0.043 0.000 1.050 372 N CA 0.367 53.364 53.050 -0.089 0.000 0.906 372 N CB -0.051 38.379 38.487 -0.096 0.000 0.968 372 N HN 0.537 nan 8.380 nan 0.000 0.445 373 R N 1.325 121.800 120.500 -0.041 0.000 2.338 373 R HA 0.260 4.601 4.340 0.001 0.000 0.317 373 R C -1.101 175.239 176.300 0.067 0.000 0.968 373 R CA -0.563 55.542 56.100 0.009 0.000 0.849 373 R CB 0.552 30.851 30.300 -0.001 0.000 1.128 373 R HN -0.053 nan 8.270 nan 0.000 0.448 374 I N 4.771 125.385 120.570 0.074 0.000 2.325 374 I HA 0.051 4.221 4.170 0.001 0.000 0.291 374 I C 0.731 176.919 176.117 0.120 0.000 1.019 374 I CA -0.033 61.331 61.300 0.107 0.000 1.302 374 I CB 1.422 39.471 38.000 0.082 0.000 1.401 374 I HN 0.736 nan 8.210 nan 0.000 0.485 375 D N 4.898 125.408 120.400 0.183 0.000 2.216 375 D HA 0.054 4.695 4.640 0.001 0.000 0.208 375 D C 0.268 176.684 176.300 0.193 0.000 0.960 375 D CA 1.153 55.279 54.000 0.210 0.000 0.861 375 D CB 0.994 41.983 40.800 0.313 0.000 0.985 375 D HN 0.195 nan 8.370 nan 0.000 0.493 376 V N 0.745 120.806 119.914 0.245 0.000 2.638 376 V HA 0.299 4.420 4.120 0.001 0.000 0.306 376 V C -0.425 175.734 176.094 0.109 0.000 1.052 376 V CA -0.574 61.808 62.300 0.137 0.000 0.885 376 V CB 2.338 34.240 31.823 0.132 0.000 0.999 376 V HN -0.145 nan 8.190 nan 0.000 0.424 377 T N 4.221 118.785 114.554 0.017 0.000 2.833 377 T HA 0.750 5.101 4.350 0.001 0.000 0.297 377 T C 0.003 174.638 174.700 -0.109 0.000 1.015 377 T CA -0.147 61.936 62.100 -0.027 0.000 0.963 377 T CB 1.379 70.231 68.868 -0.027 0.000 0.955 377 T HN 0.951 nan 8.240 nan 0.000 0.449 378 A N 2.951 125.654 122.820 -0.195 0.000 2.309 378 A HA 0.873 5.194 4.320 0.001 0.000 0.317 378 A C -0.556 176.838 177.584 -0.316 0.000 1.134 378 A CA -0.802 50.990 52.037 -0.409 0.000 0.866 378 A CB 1.350 19.725 19.000 -1.043 0.000 1.329 378 A HN 0.546 nan 8.150 nan 0.000 0.477 379 Q N 0.552 120.163 119.800 -0.316 0.000 2.322 379 Q HA 0.356 4.696 4.340 0.001 0.000 0.265 379 Q C -0.376 175.528 176.000 -0.161 0.000 0.985 379 Q CA -0.293 55.401 55.803 -0.181 0.000 0.849 379 Q CB 1.257 29.934 28.738 -0.102 0.000 1.274 379 Q HN 0.718 nan 8.270 nan 0.000 0.449 380 Q N 2.474 122.199 119.800 -0.126 0.000 2.315 380 Q HA 0.253 4.594 4.340 0.001 0.000 0.289 380 Q C 0.331 176.273 176.000 -0.097 0.000 1.044 380 Q CA 1.518 57.255 55.803 -0.109 0.000 0.920 380 Q CB 0.064 28.743 28.738 -0.099 0.000 1.214 380 Q HN 1.034 nan 8.270 nan 0.000 0.392 381 G N 2.325 111.015 108.800 -0.182 0.000 2.176 381 G HA2 -0.274 3.686 3.960 0.001 0.000 0.253 381 G HA3 -0.274 3.686 3.960 0.001 0.000 0.253 381 G C 0.109 175.043 174.900 0.058 0.000 0.979 381 G CA 0.420 45.484 45.100 -0.059 0.000 0.641 381 G HN 0.893 nan 8.290 nan 0.000 0.530 382 T N -2.880 111.672 114.554 -0.003 0.000 2.938 382 T HA 0.713 5.064 4.350 0.001 0.000 0.285 382 T C -0.353 174.497 174.700 0.249 0.000 1.028 382 T CA -0.756 61.461 62.100 0.195 0.000 1.005 382 T CB 2.053 71.010 68.868 0.149 0.000 1.157 382 T HN 0.451 nan 8.240 nan 0.000 0.550 383 W N -0.053 121.442 121.300 0.324 0.000 2.706 383 W HA 0.688 5.349 4.660 0.001 0.000 0.346 383 W C 0.010 176.747 176.519 0.363 0.000 1.071 383 W CA -0.613 56.958 57.345 0.377 0.000 1.206 383 W CB 1.503 31.143 29.460 0.300 0.000 1.413 383 W HN 0.753 nan 8.180 nan 0.000 0.542 384 E N 1.000 121.608 120.200 0.680 0.000 2.356 384 E HA 0.344 4.695 4.350 0.001 0.000 0.275 384 E C -1.204 175.716 176.600 0.534 0.000 0.904 384 E CA -1.429 55.328 56.400 0.595 0.000 0.757 384 E CB 2.747 32.928 29.700 0.802 0.000 1.232 384 E HN 0.271 nan 8.360 nan 0.000 0.442 385 R N 2.477 123.237 120.500 0.434 0.000 2.215 385 R HA 0.243 4.584 4.340 0.001 0.000 0.337 385 R C -1.407 175.139 176.300 0.409 0.000 1.010 385 R CA -0.495 55.805 56.100 0.333 0.000 0.871 385 R CB 0.493 30.908 30.300 0.192 0.000 1.134 385 R HN 0.354 nan 8.270 nan 0.000 0.477 386 W N 2.792 124.104 121.300 0.020 0.000 2.391 386 W HA 0.231 4.892 4.660 0.001 0.000 0.311 386 W C 0.215 176.682 176.519 -0.087 0.000 1.087 386 W CA -0.652 56.667 57.345 -0.044 0.000 1.209 386 W CB 1.950 31.362 29.460 -0.079 0.000 1.273 386 W HN 0.331 nan 8.180 nan 0.000 0.482 387 T N 3.388 117.980 114.554 0.063 0.000 2.749 387 T HA 0.627 4.978 4.350 0.001 0.000 0.287 387 T C -1.035 173.615 174.700 -0.083 0.000 0.970 387 T CA -0.366 61.727 62.100 -0.011 0.000 0.980 387 T CB 0.270 69.121 68.868 -0.029 0.000 0.924 387 T HN 0.132 nan 8.240 nan 0.000 0.456 388 V N 7.119 126.961 119.914 -0.122 0.000 2.495 388 V HA 0.633 4.753 4.120 0.001 0.000 0.298 388 V C 0.170 176.140 176.094 -0.207 0.000 1.031 388 V CA -0.942 61.207 62.300 -0.252 0.000 0.871 388 V CB 1.651 33.206 31.823 -0.446 0.000 0.988 388 V HN 0.835 nan 8.190 nan 0.000 0.432 389 R N 2.553 122.930 120.500 -0.205 0.000 2.807 389 R HA 0.922 5.263 4.340 0.001 0.000 0.276 389 R C -0.935 175.271 176.300 -0.157 0.000 0.979 389 R CA -0.826 55.184 56.100 -0.151 0.000 0.928 389 R CB 2.535 32.771 30.300 -0.107 0.000 1.191 389 R HN 0.810 nan 8.270 nan 0.000 0.471 390 A N 1.230 123.967 122.820 -0.140 0.000 2.491 390 A HA 0.280 4.601 4.320 0.001 0.000 0.293 390 A C -0.858 176.659 177.584 -0.112 0.000 1.047 390 A CA -0.648 51.308 52.037 -0.135 0.000 0.735 390 A CB 1.444 20.330 19.000 -0.190 0.000 1.281 390 A HN 0.687 nan 8.150 nan 0.000 0.398 391 D N 0.454 120.807 120.400 -0.078 0.000 2.213 391 D HA 0.069 4.710 4.640 0.001 0.000 0.205 391 D C 0.325 176.590 176.300 -0.058 0.000 0.961 391 D CA 1.309 55.275 54.000 -0.057 0.000 0.853 391 D CB 0.495 41.272 40.800 -0.037 0.000 0.967 391 D HN 0.598 nan 8.370 nan 0.000 0.496 392 E N 0.907 121.066 120.200 -0.068 0.000 2.073 392 E HA 0.273 4.623 4.350 0.001 0.000 0.269 392 E C -2.616 173.904 176.600 -0.133 0.000 0.917 392 E CA -2.839 53.523 56.400 -0.062 0.000 0.757 392 E CB 1.173 30.853 29.700 -0.032 0.000 1.111 392 E HN -0.147 nan 8.360 nan 0.000 0.410 393 P HA -0.050 nan 4.420 nan 0.000 0.261 393 P C -1.114 175.848 177.300 -0.564 0.000 1.173 393 P CA 0.530 63.374 63.100 -0.425 0.000 0.760 393 P CB 0.243 31.852 31.700 -0.152 0.000 0.783 394 Q N 1.587 120.827 119.800 -0.933 0.000 2.647 394 Q HA 0.698 5.038 4.340 0.001 0.000 0.283 394 Q C -1.780 174.024 176.000 -0.326 0.000 0.943 394 Q CA -1.285 54.236 55.803 -0.470 0.000 0.813 394 Q CB 1.060 29.741 28.738 -0.094 0.000 1.477 394 Q HN 0.323 nan 8.270 nan 0.000 0.393 395 A N 1.235 124.177 122.820 0.203 0.000 2.304 395 A HA 0.761 5.082 4.320 0.001 0.000 0.271 395 A C -1.288 176.520 177.584 0.373 0.000 1.091 395 A CA -0.351 51.912 52.037 0.377 0.000 0.812 395 A CB 0.493 19.764 19.000 0.453 0.000 1.056 395 A HN 0.621 nan 8.150 nan 0.000 0.489 396 F N 0.513 120.603 119.950 0.233 0.000 2.569 396 F HA 0.581 5.108 4.527 0.001 0.000 0.312 396 F C -0.674 175.337 175.800 0.352 0.000 1.109 396 F CA -0.474 57.673 58.000 0.246 0.000 0.919 396 F CB 1.781 40.881 39.000 0.167 0.000 1.211 396 F HN 0.827 nan 8.300 nan 0.000 0.446 397 H N 5.469 124.308 119.070 -0.384 0.000 2.637 397 H HA 0.723 5.280 4.556 0.001 0.000 0.363 397 H C -1.523 173.576 175.328 -0.383 0.000 1.131 397 H CA -0.654 55.272 56.048 -0.204 0.000 1.183 397 H CB 1.739 31.503 29.762 0.003 0.000 1.637 397 H HN 0.596 nan 8.280 nan 0.000 0.531 398 I N 3.619 123.727 120.570 -0.770 0.000 2.466 398 I HA 0.235 4.405 4.170 0.001 0.000 0.289 398 I C -0.257 175.471 176.117 -0.648 0.000 1.026 398 I CA -0.709 60.291 61.300 -0.500 0.000 1.078 398 I CB 1.978 39.762 38.000 -0.360 0.000 1.249 398 I HN 0.534 nan 8.210 nan 0.000 0.429 399 E N 3.553 123.560 120.200 -0.321 0.000 2.349 399 E HA 0.391 4.742 4.350 0.001 0.000 0.265 399 E C 0.903 177.084 176.600 -0.699 0.000 1.064 399 E CA 0.188 56.413 56.400 -0.291 0.000 0.886 399 E CB 1.061 30.777 29.700 0.027 0.000 1.036 399 E HN 0.933 nan 8.360 nan 0.000 0.413 400 G N 0.443 108.723 108.800 -0.866 0.000 2.162 400 G HA2 -0.276 3.685 3.960 0.001 0.000 0.260 400 G HA3 -0.276 3.685 3.960 0.001 0.000 0.260 400 G C 0.182 174.570 174.900 -0.854 0.000 0.976 400 G CA 0.566 44.830 45.100 -1.393 0.000 0.655 400 G HN 0.599 nan 8.290 nan 0.000 0.533 401 V N -2.830 116.697 119.914 -0.645 0.000 3.156 401 V HA 0.972 5.092 4.120 0.001 0.000 0.310 401 V C -0.189 175.638 176.094 -0.445 0.000 1.234 401 V CA -0.552 61.397 62.300 -0.584 0.000 1.065 401 V CB 2.157 33.530 31.823 -0.750 0.000 1.088 401 V HN 1.209 nan 8.190 nan 0.000 0.451 402 M N 1.942 121.300 119.600 -0.403 0.000 2.378 402 M HA 0.865 5.346 4.480 0.001 0.000 0.289 402 M C -1.518 174.769 176.300 -0.022 0.000 1.136 402 M CA -0.452 54.667 55.300 -0.301 0.000 0.917 402 M CB 2.209 34.579 32.600 -0.383 0.000 1.669 402 M HN 0.991 nan 8.290 nan 0.000 0.461 403 F N -0.184 119.866 119.950 0.168 0.000 2.629 403 F HA 0.741 5.269 4.527 0.001 0.000 0.316 403 F C -1.235 174.715 175.800 0.250 0.000 1.081 403 F CA -0.837 57.294 58.000 0.219 0.000 0.954 403 F CB 1.747 40.717 39.000 -0.050 0.000 1.337 403 F HN 0.882 nan 8.300 nan 0.000 0.474 404 Q N 2.322 122.386 119.800 0.440 0.000 2.333 404 Q HA 0.521 4.862 4.340 0.001 0.000 0.267 404 Q C -1.487 174.657 176.000 0.239 0.000 1.012 404 Q CA -0.764 55.107 55.803 0.113 0.000 0.824 404 Q CB 2.001 30.599 28.738 -0.233 0.000 1.290 404 Q HN 0.870 nan 8.270 nan 0.000 0.449 405 I N 4.854 125.557 120.570 0.223 0.000 2.436 405 I HA 0.067 4.237 4.170 0.001 0.000 0.289 405 I C 1.140 177.302 176.117 0.075 0.000 1.083 405 I CA -0.297 61.106 61.300 0.172 0.000 1.372 405 I CB 0.556 38.673 38.000 0.196 0.000 1.408 405 I HN 0.622 nan 8.210 nan 0.000 0.516 406 R N 4.136 124.668 120.500 0.054 0.000 2.156 406 R HA 0.212 4.553 4.340 0.001 0.000 0.207 406 R C -0.090 176.217 176.300 0.011 0.000 1.040 406 R CA 0.410 56.522 56.100 0.020 0.000 1.013 406 R CB -0.342 29.971 30.300 0.021 0.000 0.931 406 R HN 0.582 nan 8.270 nan 0.000 0.465 407 N N -0.977 117.735 118.700 0.021 0.000 2.331 407 N HA 0.282 5.023 4.740 0.001 0.000 0.280 407 N C -1.843 173.682 175.510 0.025 0.000 1.155 407 N CA -0.442 52.614 53.050 0.010 0.000 0.822 407 N CB 3.378 41.867 38.487 0.002 0.000 1.619 407 N HN -0.286 nan 8.380 nan 0.000 0.476 408 V N 2.678 122.606 119.914 0.023 0.000 2.380 408 V HA 0.421 4.541 4.120 0.001 0.000 0.286 408 V C -0.280 175.832 176.094 0.031 0.000 1.015 408 V CA -0.737 61.592 62.300 0.047 0.000 0.834 408 V CB 0.889 32.769 31.823 0.095 0.000 1.009 408 V HN 0.815 nan 8.190 nan 0.000 0.428 409 N N 4.123 122.836 118.700 0.021 0.000 2.740 409 N HA -0.205 4.536 4.740 0.001 0.000 0.248 409 N C 1.216 176.728 175.510 0.003 0.000 1.062 409 N CA 1.502 54.559 53.050 0.012 0.000 0.704 409 N CB -0.985 37.518 38.487 0.026 0.000 0.968 409 N HN 1.483 nan 8.380 nan 0.000 0.547 410 G N -2.529 106.270 108.800 -0.002 0.000 2.184 410 G HA2 -0.118 3.842 3.960 0.001 0.000 0.264 410 G HA3 -0.118 3.842 3.960 0.001 0.000 0.264 410 G C 0.223 175.113 174.900 -0.016 0.000 0.975 410 G CA 1.012 46.106 45.100 -0.008 0.000 0.642 410 G HN 1.200 nan 8.290 nan 0.000 0.536 411 A N -0.355 122.452 122.820 -0.022 0.000 2.346 411 A HA 0.897 5.217 4.320 0.001 0.000 0.313 411 A C 0.412 177.960 177.584 -0.060 0.000 1.140 411 A CA -0.464 51.546 52.037 -0.045 0.000 0.826 411 A CB 0.824 19.789 19.000 -0.059 0.000 1.332 411 A HN 0.462 nan 8.150 nan 0.000 0.457 412 M N 1.741 121.286 119.600 -0.093 0.000 2.245 412 M HA 0.197 4.678 4.480 0.001 0.000 0.344 412 M C -1.966 174.244 176.300 -0.150 0.000 1.170 412 M CA -1.010 54.227 55.300 -0.104 0.000 1.135 412 M CB 0.209 32.740 32.600 -0.115 0.000 1.574 412 M HN 0.438 nan 8.290 nan 0.000 0.452 413 P HA 0.226 nan 4.420 nan 0.000 0.276 413 P C -0.916 176.331 177.300 -0.089 0.000 1.252 413 P CA -0.289 62.795 63.100 -0.026 0.000 0.802 413 P CB 0.350 32.088 31.700 0.064 0.000 1.035 414 F N 0.883 120.860 119.950 0.045 0.000 2.496 414 F HA 0.120 4.647 4.527 0.001 0.000 0.344 414 F C -0.885 174.933 175.800 0.030 0.000 1.155 414 F CA -1.068 56.953 58.000 0.036 0.000 1.302 414 F CB -0.676 38.346 39.000 0.038 0.000 1.159 414 F HN 0.352 nan 8.300 nan 0.000 0.595 415 P HA -0.251 nan 4.420 nan 0.000 0.216 415 P C 1.291 178.656 177.300 0.109 0.000 1.154 415 P CA 1.850 65.018 63.100 0.114 0.000 0.865 415 P CB -0.108 31.656 31.700 0.107 0.000 0.789 416 E N -0.647 119.633 120.200 0.133 0.000 2.338 416 E HA -0.171 4.179 4.350 0.001 0.000 0.197 416 E C 0.399 177.056 176.600 0.095 0.000 1.007 416 E CA 1.156 57.615 56.400 0.098 0.000 0.849 416 E CB -0.840 28.907 29.700 0.078 0.000 0.774 416 E HN 0.270 nan 8.360 nan 0.000 0.506 417 D N 0.739 121.213 120.400 0.123 0.000 2.388 417 D HA 0.135 4.775 4.640 0.001 0.000 0.221 417 D C 0.854 177.200 176.300 0.078 0.000 1.133 417 D CA -0.052 54.020 54.000 0.120 0.000 0.831 417 D CB 0.205 41.112 40.800 0.178 0.000 0.962 417 D HN 0.177 nan 8.370 nan 0.000 0.502 418 R N -0.088 120.435 120.500 0.038 0.000 2.334 418 R HA 0.258 4.599 4.340 0.001 0.000 0.216 418 R C 1.240 177.480 176.300 -0.101 0.000 0.905 418 R CA -0.169 55.918 56.100 -0.023 0.000 1.064 418 R CB 1.029 31.317 30.300 -0.021 0.000 1.046 418 R HN -0.030 nan 8.270 nan 0.000 0.508 419 G N -0.078 108.677 108.800 -0.075 0.000 2.531 419 G HA2 0.159 4.120 3.960 0.001 0.000 0.281 419 G HA3 0.159 4.120 3.960 0.001 0.000 0.281 419 G C -1.064 173.719 174.900 -0.195 0.000 1.382 419 G CA -0.783 44.237 45.100 -0.134 0.000 1.045 419 G HN 0.126 nan 8.290 nan 0.000 0.533 420 W N 0.281 121.568 121.300 -0.021 0.000 2.238 420 W HA 0.541 5.202 4.660 0.002 0.000 0.321 420 W C 0.673 177.081 176.519 -0.185 0.000 1.293 420 W CA -0.091 57.199 57.345 -0.091 0.000 1.204 420 W CB 0.855 30.259 29.460 -0.094 0.000 1.167 420 W HN 0.146 nan 8.180 nan 0.000 0.553 421 K N 0.895 121.228 120.400 -0.112 0.000 2.466 421 K HA 0.184 4.505 4.320 0.001 0.000 0.260 421 K C -0.403 175.602 176.600 -0.992 0.000 1.011 421 K CA -0.675 55.365 56.287 -0.412 0.000 0.871 421 K CB 2.130 34.463 32.500 -0.277 0.000 1.404 421 K HN 0.479 nan 8.250 nan 0.000 0.450 422 D N -1.707 118.293 120.400 -0.667 0.000 2.490 422 D HA 0.073 4.714 4.640 0.001 0.000 0.246 422 D C -0.500 175.801 176.300 0.001 0.000 1.196 422 D CA 0.019 53.695 54.000 -0.541 0.000 0.812 422 D CB 0.853 41.527 40.800 -0.210 0.000 1.191 422 D HN 0.226 nan 8.370 nan 0.000 0.531 423 T N 0.275 114.937 114.554 0.180 0.000 2.886 423 T HA 0.631 4.981 4.350 0.001 0.000 0.292 423 T C -1.543 173.443 174.700 0.476 0.000 1.012 423 T CA -0.780 61.575 62.100 0.425 0.000 0.982 423 T CB 2.558 71.653 68.868 0.377 0.000 1.018 423 T HN -0.005 nan 8.240 nan 0.000 0.451 424 V N 3.413 123.643 119.914 0.527 0.000 2.888 424 V HA 0.615 4.736 4.120 0.001 0.000 0.309 424 V C -1.576 174.788 176.094 0.450 0.000 1.114 424 V CA -0.980 61.606 62.300 0.477 0.000 0.940 424 V CB 2.147 34.251 31.823 0.469 0.000 1.021 424 V HN 0.975 nan 8.190 nan 0.000 0.426 425 W N 6.856 128.277 121.300 0.202 0.000 2.311 425 W HA 0.613 5.273 4.660 0.001 0.000 0.310 425 W C -1.510 175.089 176.519 0.134 0.000 1.274 425 W CA -0.402 57.035 57.345 0.154 0.000 1.215 425 W CB 1.588 31.116 29.460 0.113 0.000 1.227 425 W HN 0.501 nan 8.180 nan 0.000 0.523 426 V N 6.647 126.280 119.914 -0.469 0.000 2.350 426 V HA 0.110 4.231 4.120 0.001 0.000 0.285 426 V C -0.611 175.110 176.094 -0.621 0.000 1.014 426 V CA -0.365 61.700 62.300 -0.392 0.000 0.831 426 V CB 1.317 32.999 31.823 -0.235 0.000 1.000 426 V HN 0.477 nan 8.190 nan 0.000 0.433 427 D N 3.542 123.704 120.400 -0.397 0.000 2.363 427 D HA 0.578 5.219 4.640 0.001 0.000 0.258 427 D C 0.533 176.775 176.300 -0.097 0.000 1.259 427 D CA 0.939 54.783 54.000 -0.259 0.000 0.921 427 D CB 1.068 41.800 40.800 -0.113 0.000 1.201 427 D HN 0.760 nan 8.370 nan 0.000 0.524 428 G N 3.155 111.893 108.800 -0.103 0.000 2.938 428 G HA2 -0.094 3.867 3.960 0.001 0.000 0.234 428 G HA3 -0.094 3.867 3.960 0.001 0.000 0.234 428 G C -0.584 174.271 174.900 -0.075 0.000 1.707 428 G CA 0.147 45.211 45.100 -0.060 0.000 1.299 428 G HN 0.765 nan 8.290 nan 0.000 0.515 429 Q N -0.761 119.005 119.800 -0.055 0.000 2.435 429 Q HA 0.686 5.027 4.340 0.001 0.000 0.282 429 Q C -0.870 175.108 176.000 -0.037 0.000 1.020 429 Q CA -0.517 55.248 55.803 -0.062 0.000 0.820 429 Q CB 2.794 31.500 28.738 -0.054 0.000 1.436 429 Q HN 1.912 nan 8.270 nan 0.000 0.395 430 V N -2.061 117.826 119.914 -0.046 0.000 3.040 430 V HA 0.747 4.868 4.120 0.001 0.000 0.312 430 V C -1.181 174.901 176.094 -0.020 0.000 1.115 430 V CA -0.772 61.520 62.300 -0.014 0.000 0.998 430 V CB 1.934 33.760 31.823 0.005 0.000 1.042 430 V HN 1.010 nan 8.190 nan 0.000 0.433 431 E N 2.207 122.408 120.200 0.002 0.000 2.191 431 E HA 0.693 5.044 4.350 0.001 0.000 0.263 431 E C -1.732 174.879 176.600 0.017 0.000 0.881 431 E CA -0.771 55.638 56.400 0.015 0.000 0.757 431 E CB 1.871 31.584 29.700 0.023 0.000 1.147 431 E HN 0.820 nan 8.360 nan 0.000 0.414 432 L N 3.782 125.011 121.223 0.011 0.000 2.362 432 L HA 0.469 4.809 4.340 0.001 0.000 0.271 432 L C -0.851 176.069 176.870 0.084 0.000 1.002 432 L CA -1.315 53.508 54.840 -0.029 0.000 0.818 432 L CB 1.498 43.338 42.059 -0.365 0.000 1.298 432 L HN 0.452 nan 8.230 nan 0.000 0.420 433 L N 3.773 125.100 121.223 0.174 0.000 2.272 433 L HA 0.418 4.758 4.340 0.001 0.000 0.284 433 L C -0.207 176.904 176.870 0.401 0.000 1.045 433 L CA -0.187 54.846 54.840 0.322 0.000 0.842 433 L CB 1.293 43.550 42.059 0.331 0.000 1.224 433 L HN 0.258 nan 8.230 nan 0.000 0.430 434 V N 5.069 125.097 119.914 0.190 0.000 2.481 434 V HA 0.267 4.388 4.120 0.001 0.000 0.286 434 V C -0.638 175.288 176.094 -0.279 0.000 1.042 434 V CA -0.806 61.392 62.300 -0.170 0.000 0.928 434 V CB 1.363 32.696 31.823 -0.816 0.000 0.986 434 V HN 0.538 nan 8.190 nan 0.000 0.462 435 Y N 4.719 124.597 120.300 -0.704 0.000 2.335 435 Y HA 0.591 5.142 4.550 0.001 0.000 0.338 435 Y C -0.692 174.675 175.900 -0.889 0.000 0.977 435 Y CA -1.566 55.950 58.100 -0.974 0.000 1.114 435 Y CB 1.372 39.044 38.460 -1.314 0.000 1.182 435 Y HN 0.546 nan 8.280 nan 0.000 0.463 436 F N 5.334 124.619 119.950 -1.108 0.000 2.359 436 F HA 0.349 4.877 4.527 0.001 0.000 0.355 436 F C 1.143 176.380 175.800 -0.939 0.000 1.132 436 F CA -0.243 57.292 58.000 -0.776 0.000 1.246 436 F CB 0.870 39.615 39.000 -0.424 0.000 1.569 436 F HN 0.833 nan 8.300 nan 0.000 0.561 437 G N 0.760 109.108 108.800 -0.754 0.000 2.777 437 G HA2 0.035 3.996 3.960 0.001 0.000 0.211 437 G HA3 0.035 3.996 3.960 0.001 0.000 0.211 437 G C 0.538 175.343 174.900 -0.160 0.000 1.149 437 G CA 0.148 45.003 45.100 -0.408 0.000 0.785 437 G HN 0.274 nan 8.290 nan 0.000 0.536 438 Q N 0.409 120.142 119.800 -0.112 0.000 2.365 438 Q HA 0.392 4.733 4.340 0.001 0.000 0.269 438 Q C -2.770 173.333 176.000 0.171 0.000 1.061 438 Q CA -2.127 53.709 55.803 0.055 0.000 0.816 438 Q CB 2.943 31.750 28.738 0.115 0.000 1.325 438 Q HN 0.082 nan 8.270 nan 0.000 0.446 439 P HA 0.297 nan 4.420 nan 0.000 0.282 439 P C -0.814 176.179 177.300 -0.511 0.000 1.259 439 P CA -0.293 62.649 63.100 -0.262 0.000 0.826 439 P CB 1.447 32.896 31.700 -0.418 0.000 1.064 440 S N -0.092 115.067 115.700 -0.901 0.000 2.638 440 S HA 0.699 5.169 4.470 0.001 0.000 0.274 440 S C -1.581 172.515 174.600 -0.841 0.000 1.157 440 S CA -0.744 56.944 58.200 -0.853 0.000 0.826 440 S CB 1.440 63.945 63.200 -1.159 0.000 1.139 440 S HN 0.493 nan 8.310 nan 0.000 0.474 441 W N -0.566 120.609 121.300 -0.208 0.000 2.902 441 W HA 0.603 5.264 4.660 0.001 0.000 0.346 441 W C 1.162 177.648 176.519 -0.055 0.000 1.139 441 W CA -0.665 56.629 57.345 -0.085 0.000 1.139 441 W CB 2.103 31.522 29.460 -0.068 0.000 1.439 441 W HN 0.985 nan 8.180 nan 0.000 0.558 442 A N 0.688 123.662 122.820 0.256 0.000 1.986 442 A HA -0.270 4.051 4.320 0.001 0.000 0.220 442 A C 1.512 179.207 177.584 0.185 0.000 1.171 442 A CA 2.260 54.409 52.037 0.187 0.000 0.640 442 A CB -0.989 18.117 19.000 0.177 0.000 0.811 442 A HN 0.630 nan 8.150 nan 0.000 0.451 443 H N -4.550 114.551 119.070 0.052 0.000 2.551 443 H HA 0.325 4.882 4.556 0.001 0.000 0.271 443 H C -0.453 174.656 175.328 -0.365 0.000 0.984 443 H CA -0.618 55.346 56.048 -0.139 0.000 1.164 443 H CB -0.318 29.326 29.762 -0.196 0.000 1.437 443 H HN 0.438 nan 8.280 nan 0.000 0.550 444 F N 2.957 122.773 119.950 -0.224 0.000 2.593 444 F HA 0.346 4.874 4.527 0.001 0.000 0.336 444 F C -2.564 173.090 175.800 -0.242 0.000 1.491 444 F CA -2.000 55.871 58.000 -0.215 0.000 1.114 444 F CB 1.807 40.650 39.000 -0.261 0.000 1.468 444 F HN 0.004 nan 8.300 nan 0.000 0.579 445 P HA 0.219 nan 4.420 nan 0.000 0.278 445 P C -0.540 176.434 177.300 -0.544 0.000 1.266 445 P CA -0.204 62.720 63.100 -0.293 0.000 0.807 445 P CB 1.322 32.936 31.700 -0.144 0.000 1.094 446 F N -0.599 119.188 119.950 -0.271 0.000 2.378 446 F HA 0.402 4.930 4.527 0.001 0.000 0.325 446 F C 0.527 176.104 175.800 -0.372 0.000 1.097 446 F CA 0.150 57.979 58.000 -0.285 0.000 1.079 446 F CB 0.312 39.290 39.000 -0.037 0.000 1.240 446 F HN 0.193 nan 8.300 nan 0.000 0.519 447 Y N 0.923 121.387 120.300 0.274 0.000 2.509 447 Y HA 0.576 5.127 4.550 0.001 0.000 0.341 447 Y C -0.557 175.432 175.900 0.148 0.000 1.038 447 Y CA -1.705 56.439 58.100 0.074 0.000 1.089 447 Y CB 1.390 39.789 38.460 -0.102 0.000 1.241 447 Y HN 0.357 nan 8.280 nan 0.000 0.468 448 F N 0.490 120.585 119.950 0.242 0.000 2.540 448 F HA 0.822 5.350 4.527 0.001 0.000 0.317 448 F C -1.059 174.788 175.800 0.078 0.000 1.104 448 F CA -1.113 56.924 58.000 0.061 0.000 0.913 448 F CB 1.576 40.698 39.000 0.203 0.000 1.170 448 F HN 0.569 nan 8.300 nan 0.000 0.450 449 N N -0.118 118.622 118.700 0.066 0.000 2.823 449 N HA 0.422 5.162 4.740 0.001 0.000 0.251 449 N C -1.685 173.964 175.510 0.231 0.000 1.392 449 N CA -1.134 51.996 53.050 0.134 0.000 0.864 449 N CB 1.746 40.244 38.487 0.019 0.000 1.481 449 N HN 0.677 nan 8.380 nan 0.000 0.508 450 S N -0.275 115.591 115.700 0.276 0.000 2.549 450 S HA 0.041 4.512 4.470 0.001 0.000 0.279 450 S C 0.371 175.092 174.600 0.202 0.000 1.321 450 S CA -0.230 58.140 58.200 0.284 0.000 1.054 450 S CB 0.469 63.788 63.200 0.199 0.000 0.899 450 S HN 0.554 nan 8.310 nan 0.000 0.497 451 Q N 2.694 122.631 119.800 0.229 0.000 2.403 451 Q HA 0.085 4.426 4.340 0.001 0.000 0.203 451 Q C 0.103 176.209 176.000 0.177 0.000 0.932 451 Q CA 0.383 56.305 55.803 0.198 0.000 0.945 451 Q CB -0.020 28.863 28.738 0.242 0.000 1.045 451 Q HN 0.669 nan 8.270 nan 0.000 0.511 452 T N 2.112 116.768 114.554 0.171 0.000 2.776 452 T HA 0.177 4.528 4.350 0.001 0.000 0.292 452 T C 1.729 176.505 174.700 0.127 0.000 0.921 452 T CA -0.119 62.074 62.100 0.155 0.000 1.038 452 T CB 0.188 69.140 68.868 0.141 0.000 0.910 452 T HN 0.189 nan 8.240 nan 0.000 0.536 453 L N 2.430 123.728 121.223 0.124 0.000 2.064 453 L HA -0.232 4.109 4.340 0.001 0.000 0.216 453 L C 2.399 179.319 176.870 0.085 0.000 1.077 453 L CA 1.629 56.525 54.840 0.092 0.000 0.766 453 L CB -0.426 41.686 42.059 0.089 0.000 0.890 453 L HN 0.536 nan 8.230 nan 0.000 0.435 454 E N -0.865 119.406 120.200 0.118 0.000 2.204 454 E HA -0.162 4.188 4.350 0.001 0.000 0.194 454 E C 2.176 178.826 176.600 0.083 0.000 0.989 454 E CA 0.919 57.386 56.400 0.112 0.000 0.824 454 E CB -0.075 29.710 29.700 0.142 0.000 0.756 454 E HN 0.310 nan 8.360 nan 0.000 0.477 455 M N -0.119 119.531 119.600 0.084 0.000 2.123 455 M HA 0.037 4.517 4.480 0.001 0.000 0.263 455 M C 2.284 178.621 176.300 0.063 0.000 1.069 455 M CA 1.399 56.744 55.300 0.075 0.000 1.133 455 M CB -1.194 31.457 32.600 0.085 0.000 1.356 455 M HN 0.171 nan 8.290 nan 0.000 0.415 456 A N 0.425 123.276 122.820 0.051 0.000 1.883 456 A HA -0.198 4.123 4.320 0.001 0.000 0.217 456 A C 1.948 179.522 177.584 -0.016 0.000 1.186 456 A CA 2.056 54.094 52.037 0.000 0.000 0.624 456 A CB -0.850 18.135 19.000 -0.025 0.000 0.822 456 A HN 0.403 nan 8.150 nan 0.000 0.444 457 D N -0.657 119.747 120.400 0.008 0.000 2.178 457 D HA -0.103 4.538 4.640 0.001 0.000 0.201 457 D C 1.955 178.287 176.300 0.053 0.000 0.980 457 D CA 0.977 54.988 54.000 0.018 0.000 0.842 457 D CB -0.245 40.572 40.800 0.027 0.000 0.948 457 D HN 0.434 nan 8.370 nan 0.000 0.472 458 R N -0.924 119.612 120.500 0.059 0.000 2.313 458 R HA 0.183 4.524 4.340 0.001 0.000 0.199 458 R C 1.185 177.537 176.300 0.088 0.000 0.958 458 R CA 0.623 56.764 56.100 0.069 0.000 1.047 458 R CB 0.479 30.815 30.300 0.060 0.000 0.955 458 R HN 0.182 nan 8.270 nan 0.000 0.481 459 G N -0.652 108.211 108.800 0.105 0.000 2.183 459 G HA2 -0.191 3.770 3.960 0.001 0.000 0.168 459 G HA3 -0.191 3.770 3.960 0.001 0.000 0.168 459 G C 0.167 175.144 174.900 0.130 0.000 1.008 459 G CA -0.338 44.857 45.100 0.159 0.000 0.677 459 G HN 0.199 nan 8.290 nan 0.000 0.498 460 S N 1.011 116.761 115.700 0.082 0.000 4.069 460 S HA 0.570 5.041 4.470 0.001 0.000 0.192 460 S C 0.354 174.987 174.600 0.054 0.000 1.441 460 S CA 0.249 58.504 58.200 0.092 0.000 0.994 460 S CB -0.448 62.815 63.200 0.105 0.000 1.456 460 S HN 0.444 nan 8.310 nan 0.000 0.458 461 I N 0.423 120.994 120.570 0.001 0.000 2.722 461 I HA 0.597 4.768 4.170 0.001 0.000 0.295 461 I C 0.336 176.348 176.117 -0.175 0.000 1.161 461 I CA -0.909 60.279 61.300 -0.185 0.000 1.032 461 I CB 2.449 40.122 38.000 -0.545 0.000 1.244 461 I HN 0.351 nan 8.210 nan 0.000 0.421 462 G N 3.107 111.574 108.800 -0.556 0.000 2.569 462 G HA2 0.659 4.620 3.960 0.001 0.000 0.300 462 G HA3 0.659 4.620 3.960 0.001 0.000 0.300 462 G C -1.552 173.013 174.900 -0.559 0.000 1.269 462 G CA -0.482 44.179 45.100 -0.731 0.000 0.959 462 G HN 0.520 nan 8.290 nan 0.000 0.478 463 Q N -0.132 119.634 119.800 -0.057 0.000 2.322 463 Q HA 0.447 4.788 4.340 0.001 0.000 0.265 463 Q C -1.321 174.878 176.000 0.331 0.000 0.985 463 Q CA -0.799 55.123 55.803 0.197 0.000 0.849 463 Q CB 2.825 31.739 28.738 0.293 0.000 1.274 463 Q HN 0.371 nan 8.270 nan 0.000 0.449 464 L N 3.789 125.245 121.223 0.387 0.000 2.287 464 L HA 0.473 4.813 4.340 0.001 0.000 0.287 464 L C -1.527 175.491 176.870 0.247 0.000 1.022 464 L CA -0.415 54.705 54.840 0.465 0.000 0.814 464 L CB 1.163 43.632 42.059 0.684 0.000 1.217 464 L HN 0.636 nan 8.230 nan 0.000 0.420 465 L N 6.365 127.678 121.223 0.150 0.000 2.287 465 L HA 0.607 4.948 4.340 0.001 0.000 0.287 465 L C -1.209 175.644 176.870 -0.029 0.000 1.022 465 L CA -0.643 54.199 54.840 0.004 0.000 0.814 465 L CB 1.492 43.545 42.059 -0.009 0.000 1.217 465 L HN 0.498 nan 8.230 nan 0.000 0.420 466 V N 4.878 124.736 119.914 -0.094 0.000 2.293 466 V HA 0.285 4.405 4.120 0.001 0.000 0.275 466 V C -0.008 175.926 176.094 -0.265 0.000 1.021 466 V CA -0.883 61.354 62.300 -0.105 0.000 0.815 466 V CB 1.068 32.955 31.823 0.108 0.000 1.025 466 V HN 0.688 nan 8.190 nan 0.000 0.448 467 N N 7.202 125.764 118.700 -0.230 0.000 2.452 467 N HA 0.161 4.902 4.740 0.001 0.000 0.266 467 N C -2.328 173.047 175.510 -0.224 0.000 1.209 467 N CA -1.112 51.791 53.050 -0.245 0.000 0.929 467 N CB 1.011 39.409 38.487 -0.149 0.000 1.063 467 N HN 0.371 nan 8.380 nan 0.000 0.472 468 P HA -0.088 nan 4.420 nan 0.000 0.266 468 P C -0.145 177.107 177.300 -0.080 0.000 1.193 468 P CA -0.122 62.871 63.100 -0.178 0.000 0.770 468 P CB 0.342 31.970 31.700 -0.120 0.000 0.836 469 V N 1.368 121.254 119.914 -0.046 0.000 2.446 469 V HA 0.158 4.279 4.120 0.001 0.000 0.276 469 V C -1.677 174.420 176.094 0.005 0.000 1.030 469 V CA -1.500 60.791 62.300 -0.015 0.000 1.033 469 V CB -1.278 30.545 31.823 0.001 0.000 0.993 469 V HN 0.490 nan 8.190 nan 0.000 0.477 470 P HA 0.000 nan 4.420 nan 0.000 0.216 470 P CA 0.000 63.112 63.100 0.020 0.000 0.800 470 P CB 0.000 31.711 31.700 0.018 0.000 0.726