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 2wb2_1_A DATA FIRST_RESID 2 DATA SEQUENCE DSQRSTLVHW FRKGLRLHDN PALSHIFTAA NAAPGRYFVR PIFILDPGIL DATA SEQUENCE DWMQVGANRW RFLQQTLEDL DNQLRKLNSR LFVVRGKPAE VFPRIFKSWR DATA SEQUENCE VEMLTFETDI EPYSVTRDAA VQKLAKAEGV RVETHCSHTI YNPELVIAKN DATA SEQUENCE LGKAPITYQK FLGIVEQLKV PKVLGVPEKL KNMPTPPKDE VEQKDSAAYD DATA SEQUENCE CPTMKQLVKR PEELGPNKFP GGETEALRRM EESLKDEIWV ARFEKPNTAP DATA SEQUENCE NSLEPSTTVL SPYLKFGCLS ARLFNQKLKE IIKRQPKHSQ PPVSLIGQLM DATA SEQUENCE WREFYYTVAA AEPNFDRMLG NVYCMQIPWQ EHPDHLEAWT HGRTGYPFID DATA SEQUENCE AIMRQLRQEG WIHHLARHAV ACFLTRGDLW ISWEEGQRVF EQLLLDQDWA DATA SEQUENCE LNAGNWMWLS ASAFFHQYFR VYSPVAFGKK TDPQGHYIRK YVPELSKYPA DATA SEQUENCE GCIYEPWKAS LVDQRAYGCV LGTDYPHRIV KHEVVHKENI KRMGAAYKVN DATA SEQUENCE REVRTGKE 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.410 176.300 0.183 0.000 2.045 2 D CA 0.000 54.077 54.000 0.128 0.000 0.868 2 D CB 0.000 40.983 40.800 0.305 0.000 0.688 3 S N 0.411 116.176 115.700 0.108 0.000 2.423 3 S HA -0.125 4.312 4.470 -0.055 0.000 0.231 3 S C 1.595 176.245 174.600 0.084 0.000 1.014 3 S CA 0.850 59.107 58.200 0.095 0.000 0.965 3 S CB 0.076 63.311 63.200 0.058 0.000 0.785 3 S HN 0.163 nan 8.310 nan 0.000 0.495 4 Q N 0.535 120.363 119.800 0.048 0.000 2.360 4 Q HA 0.256 4.563 4.340 -0.055 0.000 0.202 4 Q C 0.262 176.259 176.000 -0.005 0.000 0.915 4 Q CA 0.067 55.880 55.803 0.016 0.000 0.943 4 Q CB 0.088 28.819 28.738 -0.013 0.000 1.064 4 Q HN 0.500 nan 8.270 nan 0.000 0.511 5 R N 0.460 120.970 120.500 0.017 0.000 2.539 5 R HA 0.286 4.593 4.340 -0.055 0.000 0.275 5 R C 0.203 176.552 176.300 0.081 0.000 1.077 5 R CA 0.069 56.137 56.100 -0.053 0.000 1.097 5 R CB 0.910 31.059 30.300 -0.252 0.000 1.018 5 R HN -0.049 nan 8.270 nan 0.000 0.483 6 S N 0.021 115.739 115.700 0.030 0.000 2.713 6 S HA 0.384 4.821 4.470 -0.055 0.000 0.283 6 S C -0.462 174.319 174.600 0.301 0.000 1.161 6 S CA -0.379 57.925 58.200 0.174 0.000 0.999 6 S CB 1.589 64.892 63.200 0.173 0.000 1.039 6 S HN 0.486 nan 8.310 nan 0.000 0.548 7 T N 2.179 116.923 114.554 0.318 0.000 2.863 7 T HA 0.581 4.898 4.350 -0.055 0.000 0.285 7 T C -1.115 173.736 174.700 0.252 0.000 1.009 7 T CA -0.425 61.857 62.100 0.303 0.000 0.989 7 T CB 0.704 69.732 68.868 0.267 0.000 1.004 7 T HN 0.465 nan 8.240 nan 0.000 0.455 8 L N 3.055 124.380 121.223 0.171 0.000 2.313 8 L HA 0.740 5.047 4.340 -0.055 0.000 0.283 8 L C -0.786 176.164 176.870 0.132 0.000 1.013 8 L CA -0.996 53.895 54.840 0.084 0.000 0.816 8 L CB 1.817 43.829 42.059 -0.077 0.000 1.236 8 L HN 0.291 nan 8.230 nan 0.000 0.419 9 V N 2.059 122.092 119.914 0.198 0.000 2.540 9 V HA 0.376 4.463 4.120 -0.055 0.000 0.302 9 V C -0.552 175.721 176.094 0.298 0.000 1.035 9 V CA -0.637 61.824 62.300 0.270 0.000 0.873 9 V CB 1.873 33.920 31.823 0.373 0.000 0.992 9 V HN 0.653 nan 8.190 nan 0.000 0.428 10 H N 3.869 123.068 119.070 0.215 0.000 2.466 10 H HA 0.284 4.806 4.556 -0.056 0.000 0.338 10 H C -1.737 173.751 175.328 0.268 0.000 1.091 10 H CA -0.533 55.616 56.048 0.169 0.000 1.207 10 H CB 1.517 31.290 29.762 0.019 0.000 1.466 10 H HN 0.726 nan 8.280 nan 0.000 0.493 11 W N 7.496 128.544 121.300 -0.420 0.000 2.329 11 W HA 0.313 4.947 4.660 -0.044 0.000 0.312 11 W C -1.829 174.537 176.519 -0.256 0.000 1.054 11 W CA -1.629 55.643 57.345 -0.122 0.000 1.245 11 W CB -0.095 29.407 29.460 0.071 0.000 1.255 11 W HN 0.428 nan 8.180 nan 0.000 0.436 12 F N 7.010 127.202 119.950 0.403 0.000 2.404 12 F HA 0.320 4.811 4.527 -0.059 0.000 0.358 12 F C 1.050 176.983 175.800 0.223 0.000 1.120 12 F CA -0.344 57.859 58.000 0.338 0.000 1.144 12 F CB 1.091 40.424 39.000 0.555 0.000 1.133 12 F HN 0.308 nan 8.300 nan 0.000 0.495 13 R N 1.166 121.718 120.500 0.088 0.000 2.215 13 R HA 0.303 4.610 4.340 -0.055 0.000 0.190 13 R C -0.171 176.273 176.300 0.239 0.000 0.968 13 R CA 0.057 56.159 56.100 0.003 0.000 1.122 13 R CB 0.339 30.342 30.300 -0.496 0.000 1.151 13 R HN 0.333 nan 8.270 nan 0.000 0.582 14 K N -0.781 119.711 120.400 0.153 0.000 2.444 14 K HA 0.507 4.794 4.320 -0.055 0.000 0.252 14 K C -0.697 176.068 176.600 0.276 0.000 0.993 14 K CA -0.373 56.023 56.287 0.182 0.000 0.847 14 K CB 2.255 34.725 32.500 -0.050 0.000 1.340 14 K HN 0.273 nan 8.250 nan 0.000 0.446 15 G N 1.530 110.527 108.800 0.328 0.000 2.303 15 G HA2 -0.196 3.731 3.960 -0.055 0.000 0.260 15 G HA3 -0.196 3.731 3.960 -0.055 0.000 0.260 15 G C -0.268 174.902 174.900 0.451 0.000 1.106 15 G CA -0.316 44.989 45.100 0.342 0.000 0.900 15 G HN 0.405 nan 8.290 nan 0.000 0.495 16 L N 0.943 122.370 121.223 0.339 0.000 2.391 16 L HA 0.428 4.736 4.340 -0.055 0.000 0.249 16 L C 1.247 178.148 176.870 0.050 0.000 1.308 16 L CA -0.136 54.800 54.840 0.160 0.000 1.209 16 L CB -0.447 41.640 42.059 0.047 0.000 1.401 16 L HN 0.629 nan 8.230 nan 0.000 0.416 17 R N 0.222 120.790 120.500 0.113 0.000 2.734 17 R HA 0.501 4.808 4.340 -0.055 0.000 0.271 17 R C -0.378 175.945 176.300 0.038 0.000 1.021 17 R CA -1.030 55.060 56.100 -0.017 0.000 0.893 17 R CB 1.248 31.407 30.300 -0.235 0.000 1.244 17 R HN 0.041 nan 8.270 nan 0.000 0.464 18 L N 0.181 121.388 121.223 -0.028 0.000 2.316 18 L HA 0.146 4.453 4.340 -0.055 0.000 0.207 18 L C 0.983 177.832 176.870 -0.035 0.000 1.070 18 L CA -0.023 54.804 54.840 -0.021 0.000 0.820 18 L CB -0.348 41.688 42.059 -0.037 0.000 0.992 18 L HN 0.704 nan 8.230 nan 0.000 0.466 19 H N 0.299 119.369 119.070 -0.001 0.000 2.732 19 H HA -0.020 4.503 4.556 -0.055 0.000 0.351 19 H C -0.419 174.920 175.328 0.017 0.000 1.090 19 H CA -0.009 56.036 56.048 -0.005 0.000 1.431 19 H CB 0.693 30.452 29.762 -0.005 0.000 1.447 19 H HN 0.094 nan 8.280 nan 0.000 0.582 20 D N 1.436 121.900 120.400 0.107 0.000 2.803 20 D HA -0.231 4.376 4.640 -0.055 0.000 0.233 20 D C -0.918 175.380 176.300 -0.003 0.000 1.182 20 D CA 0.655 54.695 54.000 0.066 0.000 0.726 20 D CB -1.195 39.695 40.800 0.149 0.000 0.987 20 D HN 0.719 nan 8.370 nan 0.000 0.412 21 N N 1.047 119.732 118.700 -0.024 0.000 2.762 21 N HA 0.237 4.944 4.740 -0.055 0.000 0.252 21 N C -1.929 173.532 175.510 -0.081 0.000 1.269 21 N CA -1.691 51.338 53.050 -0.035 0.000 0.799 21 N CB 1.321 39.785 38.487 -0.039 0.000 1.173 21 N HN 0.048 nan 8.380 nan 0.000 0.516 22 P HA -0.140 nan 4.420 nan 0.000 0.216 22 P C 1.086 178.111 177.300 -0.458 0.000 1.150 22 P CA 1.001 63.962 63.100 -0.231 0.000 0.837 22 P CB 0.389 31.973 31.700 -0.192 0.000 0.786 23 A N -0.096 122.460 122.820 -0.440 0.000 1.883 23 A HA -0.178 4.109 4.320 -0.055 0.000 0.217 23 A C 2.278 179.870 177.584 0.014 0.000 1.186 23 A CA 1.776 53.684 52.037 -0.215 0.000 0.624 23 A CB -1.633 17.450 19.000 0.139 0.000 0.822 23 A HN 0.206 nan 8.150 nan 0.000 0.444 24 L N -0.467 120.635 121.223 -0.201 0.000 2.044 24 L HA -0.036 4.272 4.340 -0.055 0.000 0.205 24 L C 2.535 179.452 176.870 0.078 0.000 1.075 24 L CA 2.438 57.057 54.840 -0.368 0.000 0.747 24 L CB -0.650 41.112 42.059 -0.496 0.000 0.903 24 L HN 0.267 nan 8.230 nan 0.000 0.435 25 S N -1.299 114.417 115.700 0.026 0.000 2.370 25 S HA -0.294 4.143 4.470 -0.055 0.000 0.226 25 S C 1.898 176.584 174.600 0.144 0.000 1.033 25 S CA 1.510 59.761 58.200 0.083 0.000 1.011 25 S CB -0.608 62.589 63.200 -0.005 0.000 0.852 25 S HN 0.712 nan 8.310 nan 0.000 0.457 26 H N 0.963 120.034 119.070 0.001 0.000 2.321 26 H HA -0.129 4.395 4.556 -0.055 0.000 0.295 26 H C 1.904 177.249 175.328 0.027 0.000 1.102 26 H CA 2.116 58.172 56.048 0.013 0.000 1.266 26 H CB -0.085 29.681 29.762 0.007 0.000 1.363 26 H HN 0.219 nan 8.280 nan 0.000 0.492 27 I N -0.081 120.623 120.570 0.223 0.000 2.076 27 I HA -0.288 3.849 4.170 -0.055 0.000 0.237 27 I C 2.147 178.260 176.117 -0.007 0.000 1.059 27 I CA 1.444 62.782 61.300 0.064 0.000 1.317 27 I CB -1.469 36.522 38.000 -0.015 0.000 1.037 27 I HN 0.278 nan 8.210 nan 0.000 0.398 28 F N 1.459 121.422 119.950 0.021 0.000 2.154 28 F HA -0.272 4.222 4.527 -0.056 0.000 0.301 28 F C 2.795 178.597 175.800 0.003 0.000 1.087 28 F CA 2.178 60.190 58.000 0.019 0.000 1.274 28 F CB -1.014 37.995 39.000 0.016 0.000 1.009 28 F HN 0.222 nan 8.300 nan 0.000 0.485 29 T N -2.381 112.263 114.554 0.151 0.000 2.857 29 T HA -0.013 4.304 4.350 -0.055 0.000 0.266 29 T C 2.168 176.874 174.700 0.009 0.000 1.048 29 T CA 0.738 62.873 62.100 0.058 0.000 1.139 29 T CB -0.858 68.013 68.868 0.005 0.000 0.874 29 T HN 0.205 nan 8.240 nan 0.000 0.455 30 A N 1.936 124.740 122.820 -0.026 0.000 1.940 30 A HA 0.253 4.540 4.320 -0.055 0.000 0.219 30 A C 2.748 180.299 177.584 -0.055 0.000 1.176 30 A CA 1.870 53.867 52.037 -0.066 0.000 0.631 30 A CB -1.308 17.627 19.000 -0.108 0.000 0.814 30 A HN 0.704 nan 8.150 nan 0.000 0.446 31 A N 0.492 123.284 122.820 -0.046 0.000 1.873 31 A HA -0.147 4.140 4.320 -0.055 0.000 0.215 31 A C 1.750 179.384 177.584 0.083 0.000 1.186 31 A CA 1.786 53.832 52.037 0.015 0.000 0.616 31 A CB -0.563 18.412 19.000 -0.043 0.000 0.823 31 A HN 0.589 nan 8.150 nan 0.000 0.442 32 N N 0.341 119.080 118.700 0.065 0.000 2.424 32 N HA 0.185 4.892 4.740 -0.055 0.000 0.178 32 N C 1.509 177.053 175.510 0.056 0.000 1.060 32 N CA 0.972 54.061 53.050 0.065 0.000 0.901 32 N CB -0.324 38.206 38.487 0.071 0.000 0.979 32 N HN 0.433 nan 8.380 nan 0.000 0.451 33 A N 0.448 123.301 122.820 0.055 0.000 1.902 33 A HA 0.258 4.545 4.320 -0.055 0.000 0.217 33 A C 1.170 178.794 177.584 0.066 0.000 1.181 33 A CA 1.297 53.363 52.037 0.048 0.000 0.623 33 A CB -0.426 18.595 19.000 0.036 0.000 0.818 33 A HN 0.280 nan 8.150 nan 0.000 0.443 34 A N -0.563 122.325 122.820 0.113 0.000 2.394 34 A HA 0.623 4.910 4.320 -0.055 0.000 0.333 34 A C -1.819 175.822 177.584 0.095 0.000 1.397 34 A CA -1.391 50.717 52.037 0.119 0.000 0.884 34 A CB 0.700 19.846 19.000 0.244 0.000 1.147 34 A HN 0.122 nan 8.150 nan 0.000 0.505 35 P HA -0.070 nan 4.420 nan 0.000 0.216 35 P C 1.418 178.701 177.300 -0.029 0.000 1.153 35 P CA 1.969 65.079 63.100 0.016 0.000 0.848 35 P CB 0.403 32.106 31.700 0.006 0.000 0.787 36 G N -1.498 107.258 108.800 -0.073 0.000 3.277 36 G HA2 -0.021 3.906 3.960 -0.055 0.000 0.243 36 G HA3 -0.021 3.906 3.960 -0.055 0.000 0.243 36 G C 1.441 176.195 174.900 -0.242 0.000 1.107 36 G CA -0.046 44.969 45.100 -0.141 0.000 0.771 36 G HN 0.065 nan 8.290 nan 0.000 0.544 37 R N -0.234 120.092 120.500 -0.290 0.000 2.297 37 R HA 0.276 4.583 4.340 -0.055 0.000 0.197 37 R C -0.662 175.150 176.300 -0.813 0.000 0.943 37 R CA -0.109 55.655 56.100 -0.561 0.000 1.038 37 R CB -0.250 29.624 30.300 -0.711 0.000 0.957 37 R HN 0.324 nan 8.270 nan 0.000 0.484 38 Y N -2.068 118.103 120.300 -0.215 0.000 2.609 38 Y HA 0.489 5.007 4.550 -0.054 0.000 0.342 38 Y C -0.907 174.801 175.900 -0.319 0.000 1.058 38 Y CA -1.386 56.598 58.100 -0.193 0.000 1.055 38 Y CB 1.294 39.709 38.460 -0.074 0.000 1.292 38 Y HN -0.306 nan 8.280 nan 0.000 0.476 39 F N 0.863 120.905 119.950 0.154 0.000 2.507 39 F HA 0.656 5.150 4.527 -0.055 0.000 0.325 39 F C -0.624 175.175 175.800 -0.001 0.000 1.116 39 F CA -1.379 56.641 58.000 0.034 0.000 0.930 39 F CB 1.754 40.736 39.000 -0.029 0.000 1.146 39 F HN 0.052 nan 8.300 nan 0.000 0.447 40 V N 5.070 125.093 119.914 0.181 0.000 2.417 40 V HA 0.559 4.646 4.120 -0.055 0.000 0.291 40 V C -0.273 175.850 176.094 0.048 0.000 1.024 40 V CA -0.837 61.484 62.300 0.036 0.000 0.861 40 V CB 1.557 33.303 31.823 -0.129 0.000 0.985 40 V HN 0.537 nan 8.190 nan 0.000 0.436 41 R N 5.293 125.806 120.500 0.022 0.000 2.409 41 R HA 0.455 4.762 4.340 -0.055 0.000 0.313 41 R C -2.983 173.485 176.300 0.279 0.000 0.953 41 R CA -1.823 54.284 56.100 0.011 0.000 0.849 41 R CB 2.613 32.647 30.300 -0.444 0.000 1.171 41 R HN 0.380 nan 8.270 nan 0.000 0.458 42 P HA 0.393 nan 4.420 nan 0.000 0.303 42 P C -0.627 177.084 177.300 0.684 0.000 1.370 42 P CA -0.549 62.919 63.100 0.615 0.000 0.854 42 P CB 0.986 33.081 31.700 0.658 0.000 0.946 43 I N 0.207 121.167 120.570 0.651 0.000 2.740 43 I HA 0.764 4.901 4.170 -0.055 0.000 0.303 43 I C -1.312 175.246 176.117 0.734 0.000 1.044 43 I CA -1.137 60.501 61.300 0.563 0.000 1.064 43 I CB 2.245 40.425 38.000 0.301 0.000 1.249 43 I HN 0.083 nan 8.210 nan 0.000 0.433 44 F N 5.757 125.949 119.950 0.403 0.000 2.518 44 F HA 0.652 5.142 4.527 -0.062 0.000 0.323 44 F C -1.134 174.818 175.800 0.252 0.000 1.129 44 F CA -0.826 57.418 58.000 0.406 0.000 0.920 44 F CB 1.609 40.792 39.000 0.306 0.000 1.160 44 F HN 0.367 nan 8.300 nan 0.000 0.440 45 I N 7.494 127.879 120.570 -0.308 0.000 2.287 45 I HA 0.190 4.327 4.170 -0.055 0.000 0.290 45 I C -0.904 175.027 176.117 -0.309 0.000 1.069 45 I CA -0.782 60.358 61.300 -0.265 0.000 1.237 45 I CB 0.985 38.826 38.000 -0.265 0.000 1.418 45 I HN 0.379 nan 8.210 nan 0.000 0.481 46 L N 7.119 128.295 121.223 -0.078 0.000 2.315 46 L HA 0.243 4.550 4.340 -0.055 0.000 0.283 46 L C 0.124 177.012 176.870 0.031 0.000 1.089 46 L CA 0.207 55.081 54.840 0.056 0.000 0.833 46 L CB 0.519 42.704 42.059 0.210 0.000 1.170 46 L HN 0.403 nan 8.230 nan 0.000 0.442 47 D N 7.723 128.148 120.400 0.042 0.000 2.453 47 D HA 0.188 4.795 4.640 -0.055 0.000 0.223 47 D C -1.710 174.624 176.300 0.057 0.000 1.183 47 D CA -1.979 52.037 54.000 0.027 0.000 0.933 47 D CB 1.246 42.052 40.800 0.010 0.000 1.038 47 D HN 0.406 nan 8.370 nan 0.000 0.513 48 P HA -0.079 nan 4.420 nan 0.000 0.220 48 P C 1.419 178.732 177.300 0.023 0.000 1.148 48 P CA 0.648 63.763 63.100 0.024 0.000 0.803 48 P CB 0.206 31.914 31.700 0.014 0.000 0.782 49 G N 1.663 110.482 108.800 0.031 0.000 2.442 49 G HA2 -0.238 3.690 3.960 -0.055 0.000 0.219 49 G HA3 -0.238 3.690 3.960 -0.055 0.000 0.219 49 G C 1.560 176.518 174.900 0.096 0.000 1.141 49 G CA 0.795 45.924 45.100 0.049 0.000 0.763 49 G HN 0.433 nan 8.290 nan 0.000 0.554 50 I N -1.262 119.366 120.570 0.097 0.000 2.916 50 I HA 0.035 4.172 4.170 -0.055 0.000 0.267 50 I C 2.276 178.611 176.117 0.365 0.000 1.263 50 I CA 0.438 61.848 61.300 0.182 0.000 1.471 50 I CB -0.344 37.668 38.000 0.021 0.000 1.089 50 I HN 0.061 nan 8.210 nan 0.000 0.468 51 L N 2.320 123.640 121.223 0.161 0.000 2.079 51 L HA -0.221 4.086 4.340 -0.055 0.000 0.210 51 L C 2.443 179.383 176.870 0.116 0.000 1.081 51 L CA 1.868 56.680 54.840 -0.047 0.000 0.752 51 L CB -0.910 40.973 42.059 -0.294 0.000 0.896 51 L HN 0.491 nan 8.230 nan 0.000 0.433 52 D N -1.328 119.161 120.400 0.148 0.000 2.348 52 D HA -0.200 4.407 4.640 -0.055 0.000 0.216 52 D C 0.757 177.203 176.300 0.244 0.000 0.970 52 D CA -0.110 53.980 54.000 0.151 0.000 0.889 52 D CB -0.308 40.555 40.800 0.106 0.000 0.912 52 D HN 0.177 nan 8.370 nan 0.000 0.524 53 W N 1.569 122.957 121.300 0.147 0.000 2.170 53 W HA 0.083 4.702 4.660 -0.068 0.000 0.342 53 W C 1.952 178.576 176.519 0.174 0.000 1.294 53 W CA 0.069 57.504 57.345 0.150 0.000 1.246 53 W CB 0.732 30.290 29.460 0.165 0.000 1.156 53 W HN -0.029 nan 8.180 nan 0.000 0.572 54 M N 1.876 121.312 119.600 -0.274 0.000 2.514 54 M HA 0.031 4.478 4.480 -0.055 0.000 0.258 54 M C 0.877 177.088 176.300 -0.148 0.000 1.119 54 M CA 1.169 56.347 55.300 -0.203 0.000 1.111 54 M CB 0.103 32.526 32.600 -0.294 0.000 1.390 54 M HN 0.273 nan 8.290 nan 0.000 0.475 55 Q N 1.482 121.140 119.800 -0.235 0.000 2.265 55 Q HA 0.287 4.594 4.340 -0.055 0.000 0.217 55 Q C -0.744 175.451 176.000 0.325 0.000 0.916 55 Q CA 0.155 56.065 55.803 0.178 0.000 0.948 55 Q CB -0.210 28.871 28.738 0.570 0.000 1.020 55 Q HN 0.391 nan 8.270 nan 0.000 0.462 56 V N -0.049 120.021 119.914 0.259 0.000 2.525 56 V HA 0.592 4.679 4.120 -0.055 0.000 0.299 56 V C 0.441 176.580 176.094 0.074 0.000 1.034 56 V CA -1.021 61.295 62.300 0.028 0.000 0.863 56 V CB 1.850 33.565 31.823 -0.181 0.000 0.999 56 V HN 0.302 nan 8.190 nan 0.000 0.423 57 G N 2.573 111.376 108.800 0.006 0.000 2.539 57 G HA2 0.482 4.409 3.960 -0.055 0.000 0.258 57 G HA3 0.482 4.409 3.960 -0.055 0.000 0.258 57 G C 1.036 176.051 174.900 0.192 0.000 1.202 57 G CA 0.230 45.386 45.100 0.093 0.000 0.851 57 G HN 1.014 nan 8.290 nan 0.000 0.556 58 A N 1.252 124.216 122.820 0.239 0.000 1.933 58 A HA -0.115 4.172 4.320 -0.055 0.000 0.218 58 A C 2.305 180.046 177.584 0.262 0.000 1.175 58 A CA 1.702 53.920 52.037 0.302 0.000 0.628 58 A CB -0.417 18.704 19.000 0.202 0.000 0.814 58 A HN 0.586 nan 8.150 nan 0.000 0.444 59 N N -0.428 118.381 118.700 0.182 0.000 2.120 59 N HA -0.166 4.542 4.740 -0.055 0.000 0.188 59 N C 1.836 177.466 175.510 0.200 0.000 1.024 59 N CA 1.566 54.721 53.050 0.175 0.000 0.852 59 N CB -0.403 38.168 38.487 0.140 0.000 1.003 59 N HN 0.631 nan 8.380 nan 0.000 0.424 60 R N -0.514 120.069 120.500 0.138 0.000 2.115 60 R HA -0.042 4.265 4.340 -0.055 0.000 0.226 60 R C 2.000 178.391 176.300 0.151 0.000 1.100 60 R CA 0.899 57.071 56.100 0.120 0.000 0.980 60 R CB -0.199 30.094 30.300 -0.013 0.000 0.875 60 R HN 0.270 nan 8.270 nan 0.000 0.445 61 W N 0.430 121.845 121.300 0.192 0.000 2.358 61 W HA -0.118 4.521 4.660 -0.035 0.000 0.303 61 W C 2.499 179.082 176.519 0.107 0.000 1.208 61 W CA 1.098 58.535 57.345 0.154 0.000 1.274 61 W CB -0.065 29.472 29.460 0.129 0.000 1.138 61 W HN 0.112 nan 8.180 nan 0.000 0.515 62 R N -0.219 120.487 120.500 0.343 0.000 2.096 62 R HA -0.211 4.096 4.340 -0.055 0.000 0.235 62 R C 2.138 178.511 176.300 0.122 0.000 1.127 62 R CA 1.764 57.983 56.100 0.198 0.000 0.968 62 R CB -0.876 29.523 30.300 0.166 0.000 0.861 62 R HN 0.193 nan 8.270 nan 0.000 0.440 63 F N 0.772 120.729 119.950 0.012 0.000 2.102 63 F HA -0.203 4.299 4.527 -0.042 0.000 0.298 63 F C 1.932 177.552 175.800 -0.299 0.000 1.105 63 F CA 1.355 59.283 58.000 -0.119 0.000 1.239 63 F CB -0.273 38.666 39.000 -0.102 0.000 0.991 63 F HN 0.104 nan 8.300 nan 0.000 0.474 64 L N 0.480 121.654 121.223 -0.083 0.000 2.046 64 L HA -0.224 4.083 4.340 -0.055 0.000 0.208 64 L C 2.467 179.242 176.870 -0.159 0.000 1.077 64 L CA 1.842 56.539 54.840 -0.239 0.000 0.747 64 L CB -1.152 40.938 42.059 0.052 0.000 0.896 64 L HN 0.262 nan 8.230 nan 0.000 0.432 65 Q N -0.325 119.463 119.800 -0.020 0.000 2.050 65 Q HA -0.259 4.048 4.340 -0.055 0.000 0.202 65 Q C 2.199 178.126 176.000 -0.121 0.000 0.980 65 Q CA 2.236 58.023 55.803 -0.026 0.000 0.840 65 Q CB -0.218 28.541 28.738 0.035 0.000 0.898 65 Q HN 0.703 nan 8.270 nan 0.000 0.424 66 Q N -0.755 118.941 119.800 -0.173 0.000 2.124 66 Q HA -0.101 4.206 4.340 -0.055 0.000 0.202 66 Q C 2.075 177.902 176.000 -0.288 0.000 0.977 66 Q CA 1.865 57.535 55.803 -0.223 0.000 0.850 66 Q CB -0.012 28.565 28.738 -0.269 0.000 0.901 66 Q HN 0.384 nan 8.270 nan 0.000 0.429 67 T N 1.303 115.617 114.554 -0.399 0.000 2.708 67 T HA -0.116 4.201 4.350 -0.055 0.000 0.266 67 T C 1.822 176.338 174.700 -0.307 0.000 1.037 67 T CA 0.951 62.817 62.100 -0.391 0.000 1.146 67 T CB -0.186 68.388 68.868 -0.491 0.000 0.865 67 T HN 0.183 nan 8.240 nan 0.000 0.435 68 L N 0.540 121.579 121.223 -0.307 0.000 2.093 68 L HA -0.053 4.254 4.340 -0.055 0.000 0.208 68 L C 2.781 179.530 176.870 -0.203 0.000 1.085 68 L CA 1.294 55.959 54.840 -0.293 0.000 0.755 68 L CB -0.528 41.371 42.059 -0.266 0.000 0.904 68 L HN 0.308 nan 8.230 nan 0.000 0.435 69 E N -0.074 120.027 120.200 -0.164 0.000 2.077 69 E HA -0.263 4.054 4.350 -0.055 0.000 0.193 69 E C 1.688 178.214 176.600 -0.124 0.000 0.989 69 E CA 1.411 57.737 56.400 -0.123 0.000 0.800 69 E CB -0.014 29.624 29.700 -0.102 0.000 0.746 69 E HN 0.388 nan 8.360 nan 0.000 0.452 70 D N 0.551 120.865 120.400 -0.143 0.000 2.117 70 D HA -0.146 4.461 4.640 -0.055 0.000 0.198 70 D C 1.922 178.146 176.300 -0.126 0.000 0.982 70 D CA 0.498 54.424 54.000 -0.123 0.000 0.828 70 D CB -0.042 40.681 40.800 -0.127 0.000 0.967 70 D HN 0.047 nan 8.370 nan 0.000 0.464 71 L N 0.592 121.712 121.223 -0.172 0.000 2.083 71 L HA -0.099 4.208 4.340 -0.055 0.000 0.209 71 L C 1.709 178.485 176.870 -0.157 0.000 1.083 71 L CA 1.761 56.480 54.840 -0.201 0.000 0.752 71 L CB -0.753 41.100 42.059 -0.342 0.000 0.899 71 L HN -0.023 nan 8.230 nan 0.000 0.433 72 D N -0.994 119.320 120.400 -0.142 0.000 2.097 72 D HA -0.183 4.424 4.640 -0.055 0.000 0.197 72 D C 1.827 178.080 176.300 -0.079 0.000 0.984 72 D CA 1.106 55.042 54.000 -0.108 0.000 0.826 72 D CB -0.020 40.716 40.800 -0.107 0.000 0.973 72 D HN 0.295 nan 8.370 nan 0.000 0.460 73 N N 0.098 118.752 118.700 -0.077 0.000 2.166 73 N HA -0.124 4.583 4.740 -0.055 0.000 0.186 73 N C 1.753 177.235 175.510 -0.046 0.000 1.019 73 N CA 0.785 53.800 53.050 -0.057 0.000 0.856 73 N CB -0.229 38.223 38.487 -0.058 0.000 0.993 73 N HN 0.315 nan 8.380 nan 0.000 0.426 74 Q N 0.555 120.323 119.800 -0.053 0.000 2.123 74 Q HA 0.071 4.378 4.340 -0.055 0.000 0.199 74 Q C 2.344 178.326 176.000 -0.028 0.000 0.966 74 Q CA 0.561 56.339 55.803 -0.042 0.000 0.845 74 Q CB -0.445 28.265 28.738 -0.047 0.000 0.907 74 Q HN 0.416 nan 8.270 nan 0.000 0.439 75 L N 0.204 121.417 121.223 -0.016 0.000 2.201 75 L HA -0.103 4.204 4.340 -0.055 0.000 0.212 75 L C 2.626 179.525 176.870 0.049 0.000 1.105 75 L CA 0.785 55.650 54.840 0.043 0.000 0.775 75 L CB -0.266 41.838 42.059 0.075 0.000 0.913 75 L HN 0.159 nan 8.230 nan 0.000 0.440 76 R N 0.604 121.108 120.500 0.007 0.000 2.120 76 R HA -0.163 4.144 4.340 -0.055 0.000 0.234 76 R C 1.994 178.305 176.300 0.019 0.000 1.123 76 R CA 1.263 57.367 56.100 0.006 0.000 0.975 76 R CB 0.076 30.365 30.300 -0.019 0.000 0.866 76 R HN 0.279 nan 8.270 nan 0.000 0.446 77 K N -0.001 120.404 120.400 0.008 0.000 2.432 77 K HA 0.021 4.308 4.320 -0.055 0.000 0.196 77 K C 0.855 177.466 176.600 0.018 0.000 1.038 77 K CA 0.491 56.781 56.287 0.006 0.000 0.986 77 K CB 0.305 32.798 32.500 -0.011 0.000 0.782 77 K HN 0.233 nan 8.250 nan 0.000 0.485 78 L N 1.275 122.521 121.223 0.037 0.000 2.912 78 L HA 0.159 4.467 4.340 -0.055 0.000 0.240 78 L C -0.402 176.565 176.870 0.160 0.000 1.262 78 L CA -0.335 54.550 54.840 0.076 0.000 1.058 78 L CB -0.339 41.727 42.059 0.012 0.000 1.383 78 L HN 0.192 nan 8.230 nan 0.000 0.512 79 N N -0.627 118.140 118.700 0.112 0.000 2.708 79 N HA -0.205 4.502 4.740 -0.055 0.000 0.251 79 N C 0.356 175.950 175.510 0.141 0.000 1.123 79 N CA 1.246 54.364 53.050 0.114 0.000 0.739 79 N CB -0.899 37.656 38.487 0.114 0.000 1.113 79 N HN 0.504 nan 8.380 nan 0.000 0.561 80 S N -0.586 115.210 115.700 0.159 0.000 2.993 80 S HA 0.859 5.296 4.470 -0.055 0.000 0.281 80 S C -0.366 174.272 174.600 0.063 0.000 1.033 80 S CA 0.027 58.328 58.200 0.167 0.000 0.950 80 S CB 1.552 64.931 63.200 0.298 0.000 1.349 80 S HN 0.501 nan 8.310 nan 0.000 0.652 81 R N -0.500 120.008 120.500 0.014 0.000 2.828 81 R HA 0.518 4.825 4.340 -0.055 0.000 0.280 81 R C -2.199 173.953 176.300 -0.246 0.000 1.020 81 R CA -0.863 55.136 56.100 -0.169 0.000 0.855 81 R CB -0.052 30.044 30.300 -0.341 0.000 1.278 81 R HN 0.468 nan 8.270 nan 0.000 0.495 82 L N 0.997 122.071 121.223 -0.248 0.000 2.375 82 L HA 0.572 4.879 4.340 -0.055 0.000 0.271 82 L C -1.376 175.280 176.870 -0.357 0.000 1.107 82 L CA -0.035 54.724 54.840 -0.135 0.000 0.806 82 L CB 0.853 42.872 42.059 -0.066 0.000 1.146 82 L HN 0.588 nan 8.230 nan 0.000 0.447 83 F N 4.475 124.515 119.950 0.151 0.000 2.445 83 F HA 0.413 4.906 4.527 -0.056 0.000 0.348 83 F C -0.257 175.622 175.800 0.133 0.000 1.125 83 F CA -0.760 57.308 58.000 0.113 0.000 0.983 83 F CB 1.526 40.519 39.000 -0.011 0.000 1.198 83 F HN 0.032 nan 8.300 nan 0.000 0.436 84 V N 5.032 125.131 119.914 0.308 0.000 2.320 84 V HA 0.256 4.343 4.120 -0.055 0.000 0.265 84 V C -0.097 176.154 176.094 0.263 0.000 1.048 84 V CA -0.686 61.799 62.300 0.309 0.000 0.865 84 V CB 0.857 32.860 31.823 0.300 0.000 1.043 84 V HN 0.445 nan 8.190 nan 0.000 0.474 85 V N 6.206 126.180 119.914 0.100 0.000 2.406 85 V HA 0.392 4.479 4.120 -0.055 0.000 0.272 85 V C 0.448 176.567 176.094 0.041 0.000 1.043 85 V CA -0.709 61.588 62.300 -0.005 0.000 0.915 85 V CB 1.209 32.857 31.823 -0.291 0.000 0.988 85 V HN 0.757 nan 8.190 nan 0.000 0.466 86 R N 3.271 123.841 120.500 0.118 0.000 2.265 86 R HA 0.717 5.024 4.340 -0.055 0.000 0.314 86 R C 0.527 176.825 176.300 -0.004 0.000 1.053 86 R CA 0.697 56.834 56.100 0.061 0.000 0.931 86 R CB 1.097 31.446 30.300 0.081 0.000 1.024 86 R HN 1.109 nan 8.270 nan 0.000 0.457 87 G N 1.285 110.063 108.800 -0.037 0.000 2.369 87 G HA2 0.026 3.953 3.960 -0.055 0.000 0.293 87 G HA3 0.026 3.953 3.960 -0.055 0.000 0.293 87 G C -1.513 173.337 174.900 -0.083 0.000 1.301 87 G CA -1.055 44.004 45.100 -0.067 0.000 0.913 87 G HN 0.362 nan 8.290 nan 0.000 0.540 88 K N 1.065 121.415 120.400 -0.082 0.000 2.183 88 K HA 0.391 4.678 4.320 -0.055 0.000 0.274 88 K C -1.638 174.894 176.600 -0.112 0.000 1.009 88 K CA -1.821 54.432 56.287 -0.058 0.000 0.888 88 K CB 2.385 34.872 32.500 -0.022 0.000 1.078 88 K HN 0.052 nan 8.250 nan 0.000 0.459 89 P HA -0.281 nan 4.420 nan 0.000 0.218 89 P C 0.864 178.138 177.300 -0.043 0.000 1.152 89 P CA 1.426 64.442 63.100 -0.140 0.000 0.857 89 P CB 0.218 31.941 31.700 0.038 0.000 0.787 90 A N -0.244 122.564 122.820 -0.021 0.000 2.019 90 A HA -0.195 4.092 4.320 -0.055 0.000 0.219 90 A C 1.795 179.346 177.584 -0.055 0.000 1.164 90 A CA 1.507 53.533 52.037 -0.019 0.000 0.644 90 A CB -0.748 18.245 19.000 -0.011 0.000 0.805 90 A HN 0.298 nan 8.150 nan 0.000 0.449 91 E N -1.026 119.117 120.200 -0.094 0.000 2.526 91 E HA 0.180 4.497 4.350 -0.055 0.000 0.208 91 E C 1.022 177.514 176.600 -0.181 0.000 0.997 91 E CA 0.249 56.583 56.400 -0.109 0.000 0.961 91 E CB 0.480 30.131 29.700 -0.081 0.000 1.030 91 E HN 0.400 nan 8.360 nan 0.000 0.483 92 V N 0.105 119.856 119.914 -0.273 0.000 2.627 92 V HA -0.057 4.030 4.120 -0.055 0.000 0.239 92 V C 1.711 177.456 176.094 -0.582 0.000 1.077 92 V CA 0.693 62.730 62.300 -0.440 0.000 1.103 92 V CB -0.368 31.095 31.823 -0.600 0.000 0.802 92 V HN 0.080 nan 8.190 nan 0.000 0.482 93 F N 0.959 120.559 119.950 -0.584 0.000 2.091 93 F HA -0.110 4.382 4.527 -0.058 0.000 0.299 93 F C -0.030 175.268 175.800 -0.837 0.000 1.103 93 F CA 2.186 59.663 58.000 -0.872 0.000 1.228 93 F CB -2.076 36.448 39.000 -0.792 0.000 0.984 93 F HN 0.266 nan 8.300 nan 0.000 0.477 94 P HA -0.198 nan 4.420 nan 0.000 0.216 94 P C 1.641 178.835 177.300 -0.176 0.000 1.150 94 P CA 1.733 64.755 63.100 -0.130 0.000 0.837 94 P CB -0.156 31.502 31.700 -0.071 0.000 0.786 95 R N 0.463 120.802 120.500 -0.267 0.000 2.066 95 R HA -0.095 4.212 4.340 -0.055 0.000 0.232 95 R C 2.347 178.402 176.300 -0.410 0.000 1.131 95 R CA 1.623 57.556 56.100 -0.278 0.000 0.955 95 R CB -0.798 29.333 30.300 -0.280 0.000 0.851 95 R HN 0.200 nan 8.270 nan 0.000 0.432 96 I N -1.819 118.348 120.570 -0.673 0.000 2.315 96 I HA -0.166 3.971 4.170 -0.055 0.000 0.248 96 I C 1.475 177.316 176.117 -0.461 0.000 1.117 96 I CA 1.198 61.889 61.300 -1.015 0.000 1.404 96 I CB -0.622 36.455 38.000 -1.539 0.000 1.071 96 I HN -0.053 nan 8.210 nan 0.000 0.419 97 F N 2.026 121.858 119.950 -0.197 0.000 2.102 97 F HA -0.078 4.416 4.527 -0.056 0.000 0.298 97 F C 2.616 178.405 175.800 -0.020 0.000 1.105 97 F CA 1.201 59.179 58.000 -0.037 0.000 1.239 97 F CB -0.965 38.032 39.000 -0.005 0.000 0.991 97 F HN 0.004 nan 8.300 nan 0.000 0.474 98 K N 0.076 120.556 120.400 0.133 0.000 2.057 98 K HA -0.115 4.172 4.320 -0.055 0.000 0.206 98 K C 2.230 178.865 176.600 0.059 0.000 1.050 98 K CA 1.714 58.046 56.287 0.076 0.000 0.935 98 K CB -0.255 32.263 32.500 0.029 0.000 0.715 98 K HN 0.327 nan 8.250 nan 0.000 0.439 99 S N -0.539 115.154 115.700 -0.011 0.000 2.406 99 S HA -0.069 4.368 4.470 -0.055 0.000 0.224 99 S C 1.511 176.256 174.600 0.242 0.000 1.030 99 S CA 0.162 58.389 58.200 0.045 0.000 0.958 99 S CB -0.301 62.867 63.200 -0.053 0.000 0.811 99 S HN 0.320 nan 8.310 nan 0.000 0.489 100 W N 1.725 123.044 121.300 0.033 0.000 2.942 100 W HA 0.471 5.097 4.660 -0.056 0.000 0.263 100 W C 0.416 176.989 176.519 0.089 0.000 1.296 100 W CA -0.971 56.394 57.345 0.033 0.000 1.504 100 W CB -0.811 28.653 29.460 0.006 0.000 1.096 100 W HN 0.259 nan 8.180 nan 0.000 0.639 101 R N -0.292 120.397 120.500 0.314 0.000 3.144 101 R HA -0.150 4.157 4.340 -0.055 0.000 0.255 101 R C -0.588 175.866 176.300 0.258 0.000 0.949 101 R CA 0.052 56.291 56.100 0.232 0.000 0.649 101 R CB -2.145 28.264 30.300 0.181 0.000 1.229 101 R HN -0.235 nan 8.270 nan 0.000 0.440 102 V N 1.260 121.358 119.914 0.306 0.000 2.521 102 V HA -0.021 4.066 4.120 -0.055 0.000 0.286 102 V C 1.703 177.873 176.094 0.125 0.000 1.034 102 V CA 0.646 63.126 62.300 0.300 0.000 1.045 102 V CB 1.485 33.615 31.823 0.512 0.000 0.974 102 V HN 0.483 nan 8.190 nan 0.000 0.480 103 E N 4.040 124.319 120.200 0.133 0.000 2.251 103 E HA 0.196 4.513 4.350 -0.055 0.000 0.194 103 E C 0.537 177.144 176.600 0.012 0.000 0.964 103 E CA 0.180 56.623 56.400 0.072 0.000 0.868 103 E CB 0.528 30.326 29.700 0.163 0.000 0.828 103 E HN 0.675 nan 8.360 nan 0.000 0.481 104 M N 1.473 121.097 119.600 0.040 0.000 2.433 104 M HA 0.371 4.818 4.480 -0.055 0.000 0.290 104 M C -2.161 174.195 176.300 0.092 0.000 1.173 104 M CA -0.719 54.591 55.300 0.016 0.000 0.905 104 M CB 2.213 34.804 32.600 -0.015 0.000 1.692 104 M HN 0.008 nan 8.290 nan 0.000 0.462 105 L N 3.951 125.228 121.223 0.091 0.000 2.385 105 L HA 0.788 5.095 4.340 -0.055 0.000 0.273 105 L C -1.200 175.765 176.870 0.157 0.000 0.990 105 L CA -0.146 54.822 54.840 0.214 0.000 0.821 105 L CB 2.125 44.362 42.059 0.295 0.000 1.279 105 L HN 0.919 nan 8.230 nan 0.000 0.412 106 T N 1.382 116.051 114.554 0.191 0.000 2.893 106 T HA 0.747 5.064 4.350 -0.055 0.000 0.293 106 T C -0.756 173.993 174.700 0.083 0.000 1.027 106 T CA -0.537 61.605 62.100 0.070 0.000 0.988 106 T CB 1.729 70.638 68.868 0.067 0.000 1.043 106 T HN 0.505 nan 8.240 nan 0.000 0.461 107 F N -0.937 118.981 119.950 -0.053 0.000 2.711 107 F HA 0.766 5.258 4.527 -0.058 0.000 0.313 107 F C -0.692 175.073 175.800 -0.058 0.000 1.141 107 F CA -1.401 56.485 58.000 -0.191 0.000 0.941 107 F CB 1.294 40.171 39.000 -0.204 0.000 1.349 107 F HN 0.719 nan 8.300 nan 0.000 0.464 108 E N 1.576 121.871 120.200 0.158 0.000 2.229 108 E HA 0.317 4.635 4.350 -0.055 0.000 0.283 108 E C -0.567 176.138 176.600 0.175 0.000 1.030 108 E CA -0.633 55.847 56.400 0.133 0.000 0.836 108 E CB 1.196 30.977 29.700 0.136 0.000 1.068 108 E HN 0.787 nan 8.360 nan 0.000 0.401 109 T N 1.704 116.320 114.554 0.102 0.000 2.916 109 T HA 0.115 4.432 4.350 -0.055 0.000 0.303 109 T C -0.174 174.569 174.700 0.071 0.000 1.025 109 T CA -0.724 61.443 62.100 0.112 0.000 1.142 109 T CB 1.087 69.986 68.868 0.051 0.000 0.947 109 T HN 0.347 nan 8.240 nan 0.000 0.544 110 D N 1.624 122.053 120.400 0.048 0.000 2.629 110 D HA 0.275 4.882 4.640 -0.055 0.000 0.250 110 D C 1.151 177.471 176.300 0.034 0.000 1.126 110 D CA -1.111 52.893 54.000 0.008 0.000 0.852 110 D CB 1.103 41.857 40.800 -0.076 0.000 1.335 110 D HN 0.656 nan 8.370 nan 0.000 0.518 111 I N -0.060 120.577 120.570 0.112 0.000 3.001 111 I HA 0.158 4.295 4.170 -0.055 0.000 0.268 111 I C 0.254 176.380 176.117 0.014 0.000 1.267 111 I CA 0.186 61.558 61.300 0.120 0.000 1.472 111 I CB -0.099 38.045 38.000 0.241 0.000 1.089 111 I HN 0.196 nan 8.210 nan 0.000 0.468 112 E N 2.450 122.594 120.200 -0.095 0.000 2.415 112 E HA 0.022 4.339 4.350 -0.055 0.000 0.262 112 E C -1.608 174.749 176.600 -0.406 0.000 1.038 112 E CA -1.171 54.933 56.400 -0.494 0.000 0.921 112 E CB 0.326 29.759 29.700 -0.445 0.000 0.950 112 E HN 0.144 nan 8.360 nan 0.000 0.438 113 P HA -0.202 nan 4.420 nan 0.000 0.216 113 P C 1.022 178.224 177.300 -0.164 0.000 1.153 113 P CA 1.137 64.085 63.100 -0.254 0.000 0.848 113 P CB -0.017 31.554 31.700 -0.216 0.000 0.787 114 Y N 1.445 121.581 120.300 -0.274 0.000 2.128 114 Y HA -0.254 4.257 4.550 -0.065 0.000 0.284 114 Y C 2.353 178.164 175.900 -0.150 0.000 1.154 114 Y CA 2.317 60.307 58.100 -0.184 0.000 1.149 114 Y CB -1.048 37.296 38.460 -0.194 0.000 0.976 114 Y HN 0.002 nan 8.280 nan 0.000 0.505 115 S N -1.187 114.364 115.700 -0.248 0.000 2.402 115 S HA -0.155 4.282 4.470 -0.055 0.000 0.229 115 S C 2.053 176.504 174.600 -0.250 0.000 1.021 115 S CA 1.205 59.229 58.200 -0.293 0.000 0.974 115 S CB -1.133 61.964 63.200 -0.171 0.000 0.800 115 S HN 0.263 nan 8.310 nan 0.000 0.484 116 V N 3.163 122.969 119.914 -0.180 0.000 2.261 116 V HA -0.184 3.903 4.120 -0.055 0.000 0.246 116 V C 3.232 179.252 176.094 -0.123 0.000 1.047 116 V CA 2.287 64.522 62.300 -0.108 0.000 1.015 116 V CB -1.490 30.291 31.823 -0.070 0.000 0.642 116 V HN 0.865 nan 8.190 nan 0.000 0.446 117 T N -1.155 113.302 114.554 -0.163 0.000 2.867 117 T HA -0.251 4.066 4.350 -0.055 0.000 0.268 117 T C 1.937 176.522 174.700 -0.192 0.000 1.057 117 T CA 1.577 63.590 62.100 -0.146 0.000 1.136 117 T CB -0.347 68.448 68.868 -0.122 0.000 0.874 117 T HN 0.449 nan 8.240 nan 0.000 0.466 118 R N 1.352 121.651 120.500 -0.335 0.000 2.062 118 R HA -0.114 4.193 4.340 -0.055 0.000 0.231 118 R C 1.856 178.057 176.300 -0.166 0.000 1.136 118 R CA 1.959 57.861 56.100 -0.331 0.000 0.948 118 R CB -0.452 29.499 30.300 -0.583 0.000 0.845 118 R HN 0.283 nan 8.270 nan 0.000 0.430 119 D N 0.556 120.858 120.400 -0.162 0.000 2.144 119 D HA -0.116 4.491 4.640 -0.055 0.000 0.199 119 D C 1.742 178.043 176.300 0.000 0.000 0.984 119 D CA 1.480 55.434 54.000 -0.076 0.000 0.834 119 D CB -0.283 40.508 40.800 -0.015 0.000 0.955 119 D HN 0.418 nan 8.370 nan 0.000 0.465 120 A N 0.976 123.780 122.820 -0.026 0.000 1.902 120 A HA -0.058 4.229 4.320 -0.055 0.000 0.217 120 A C 2.311 179.880 177.584 -0.024 0.000 1.181 120 A CA 2.233 54.263 52.037 -0.013 0.000 0.623 120 A CB -0.778 18.207 19.000 -0.025 0.000 0.818 120 A HN 0.239 nan 8.150 nan 0.000 0.443 121 A N -0.787 122.003 122.820 -0.049 0.000 1.902 121 A HA 0.006 4.293 4.320 -0.055 0.000 0.217 121 A C 2.193 179.743 177.584 -0.056 0.000 1.181 121 A CA 1.788 53.796 52.037 -0.048 0.000 0.623 121 A CB -0.819 18.145 19.000 -0.059 0.000 0.818 121 A HN 0.401 nan 8.150 nan 0.000 0.443 122 V N -0.090 119.772 119.914 -0.087 0.000 2.667 122 V HA -0.178 3.909 4.120 -0.055 0.000 0.252 122 V C 2.624 178.670 176.094 -0.080 0.000 1.065 122 V CA 1.645 63.841 62.300 -0.172 0.000 1.083 122 V CB -0.534 31.074 31.823 -0.358 0.000 0.692 122 V HN 0.525 nan 8.190 nan 0.000 0.468 123 Q N 0.085 119.882 119.800 -0.006 0.000 2.119 123 Q HA -0.214 4.093 4.340 -0.055 0.000 0.201 123 Q C 2.293 178.287 176.000 -0.010 0.000 0.972 123 Q CA 1.568 57.383 55.803 0.020 0.000 0.847 123 Q CB -0.207 28.556 28.738 0.041 0.000 0.903 123 Q HN 0.618 nan 8.270 nan 0.000 0.433 124 K N 0.602 120.993 120.400 -0.014 0.000 2.057 124 K HA -0.085 4.202 4.320 -0.055 0.000 0.206 124 K C 2.159 178.753 176.600 -0.011 0.000 1.050 124 K CA 0.571 56.849 56.287 -0.014 0.000 0.935 124 K CB -0.108 32.384 32.500 -0.013 0.000 0.715 124 K HN 0.107 nan 8.250 nan 0.000 0.439 125 L N 0.458 121.679 121.223 -0.003 0.000 2.093 125 L HA -0.086 4.221 4.340 -0.055 0.000 0.208 125 L C 2.260 179.160 176.870 0.050 0.000 1.085 125 L CA 1.394 56.255 54.840 0.035 0.000 0.755 125 L CB -0.235 41.853 42.059 0.049 0.000 0.904 125 L HN 0.254 nan 8.230 nan 0.000 0.435 126 A N -0.462 122.361 122.820 0.004 0.000 1.968 126 A HA -0.219 4.068 4.320 -0.055 0.000 0.217 126 A C 2.227 179.725 177.584 -0.144 0.000 1.169 126 A CA 1.680 53.625 52.037 -0.153 0.000 0.638 126 A CB -0.375 18.520 19.000 -0.175 0.000 0.812 126 A HN 0.355 nan 8.150 nan 0.000 0.446 127 K N 0.370 120.725 120.400 -0.075 0.000 2.057 127 K HA 0.044 4.331 4.320 -0.055 0.000 0.206 127 K C 1.947 178.516 176.600 -0.052 0.000 1.050 127 K CA 1.584 57.834 56.287 -0.061 0.000 0.935 127 K CB -0.491 31.986 32.500 -0.038 0.000 0.715 127 K HN 0.295 nan 8.250 nan 0.000 0.439 128 A N 0.327 123.126 122.820 -0.036 0.000 1.898 128 A HA -0.111 4.176 4.320 -0.055 0.000 0.216 128 A C 2.002 179.568 177.584 -0.031 0.000 1.181 128 A CA 1.828 53.851 52.037 -0.023 0.000 0.620 128 A CB -0.545 18.452 19.000 -0.005 0.000 0.819 128 A HN 0.428 nan 8.150 nan 0.000 0.442 129 E N -0.718 119.453 120.200 -0.048 0.000 2.481 129 E HA 0.235 4.552 4.350 -0.055 0.000 0.195 129 E C 0.896 177.432 176.600 -0.108 0.000 1.047 129 E CA 0.656 57.022 56.400 -0.058 0.000 0.867 129 E CB -0.413 29.260 29.700 -0.045 0.000 0.858 129 E HN 0.784 nan 8.360 nan 0.000 0.513 130 G N 0.267 108.998 108.800 -0.115 0.000 2.326 130 G HA2 -0.205 3.722 3.960 -0.055 0.000 0.286 130 G HA3 -0.205 3.722 3.960 -0.055 0.000 0.286 130 G C -0.331 174.474 174.900 -0.158 0.000 1.096 130 G CA 0.338 45.375 45.100 -0.104 0.000 1.003 130 G HN 0.176 nan 8.290 nan 0.000 0.503 131 V N 0.452 120.219 119.914 -0.245 0.000 2.448 131 V HA 0.523 4.610 4.120 -0.055 0.000 0.295 131 V C 0.817 176.787 176.094 -0.207 0.000 1.025 131 V CA -1.022 61.083 62.300 -0.325 0.000 0.859 131 V CB 1.772 33.142 31.823 -0.755 0.000 0.988 131 V HN 0.572 nan 8.190 nan 0.000 0.431 132 R N 3.438 123.858 120.500 -0.134 0.000 2.347 132 R HA 0.549 4.856 4.340 -0.055 0.000 0.304 132 R C -1.267 174.982 176.300 -0.086 0.000 1.072 132 R CA -0.137 55.909 56.100 -0.090 0.000 0.980 132 R CB 0.974 31.241 30.300 -0.056 0.000 0.986 132 R HN 0.550 nan 8.270 nan 0.000 0.448 133 V N 5.088 124.950 119.914 -0.086 0.000 2.444 133 V HA 0.288 4.375 4.120 -0.055 0.000 0.294 133 V C -0.673 175.328 176.094 -0.155 0.000 1.022 133 V CA -0.666 61.581 62.300 -0.088 0.000 0.850 133 V CB 1.715 33.512 31.823 -0.043 0.000 0.992 133 V HN 0.773 nan 8.190 nan 0.000 0.426 134 E N 3.160 123.236 120.200 -0.208 0.000 2.182 134 E HA 0.430 4.747 4.350 -0.055 0.000 0.258 134 E C -0.216 176.194 176.600 -0.317 0.000 0.879 134 E CA -0.312 55.925 56.400 -0.271 0.000 0.754 134 E CB 2.201 31.706 29.700 -0.325 0.000 1.162 134 E HN 0.810 nan 8.360 nan 0.000 0.419 135 T N 0.254 114.556 114.554 -0.419 0.000 2.925 135 T HA 0.563 4.880 4.350 -0.055 0.000 0.285 135 T C 0.005 174.491 174.700 -0.357 0.000 1.021 135 T CA -0.673 61.139 62.100 -0.480 0.000 1.042 135 T CB 1.692 70.153 68.868 -0.679 0.000 1.037 135 T HN 0.335 nan 8.240 nan 0.000 0.481 136 H N -0.321 118.632 119.070 -0.195 0.000 2.821 136 H HA 0.502 5.024 4.556 -0.057 0.000 0.373 136 H C -0.919 174.391 175.328 -0.031 0.000 1.165 136 H CA -0.841 55.163 56.048 -0.073 0.000 1.154 136 H CB 2.033 31.784 29.762 -0.018 0.000 1.765 136 H HN 0.836 nan 8.280 nan 0.000 0.549 137 C N 3.099 122.467 119.300 0.113 0.000 2.301 137 C HA 0.328 4.755 4.460 -0.055 0.000 0.313 137 C C 0.895 175.942 174.990 0.095 0.000 1.121 137 C CA -0.183 58.887 59.018 0.086 0.000 1.507 137 C CB -1.697 26.076 27.740 0.055 0.000 1.975 137 C HN 0.802 nan 8.230 nan 0.000 0.425 138 S N 1.674 117.440 115.700 0.110 0.000 2.893 138 S HA 0.073 4.510 4.470 -0.055 0.000 0.258 138 S C 0.830 175.484 174.600 0.090 0.000 1.034 138 S CA 0.098 58.350 58.200 0.086 0.000 1.167 138 S CB -0.555 62.699 63.200 0.089 0.000 1.137 138 S HN 0.877 nan 8.310 nan 0.000 0.650 139 H N 3.382 122.446 119.070 -0.010 0.000 2.403 139 H HA 0.178 4.688 4.556 -0.077 0.000 0.298 139 H C 0.851 176.101 175.328 -0.130 0.000 1.059 139 H CA 2.023 58.038 56.048 -0.054 0.000 1.363 139 H CB 0.033 29.748 29.762 -0.078 0.000 1.410 139 H HN 0.565 nan 8.280 nan 0.000 0.528 140 T N -2.552 111.925 114.554 -0.129 0.000 2.932 140 T HA 0.307 4.624 4.350 -0.055 0.000 0.289 140 T C 1.543 176.190 174.700 -0.087 0.000 1.039 140 T CA -0.578 61.422 62.100 -0.167 0.000 1.024 140 T CB 1.499 70.287 68.868 -0.134 0.000 1.090 140 T HN 0.143 nan 8.240 nan 0.000 0.496 141 I N -0.555 119.943 120.570 -0.121 0.000 2.142 141 I HA -0.042 4.095 4.170 -0.055 0.000 0.240 141 I C 0.111 176.025 176.117 -0.339 0.000 1.078 141 I CA 1.166 62.299 61.300 -0.278 0.000 1.343 141 I CB -0.123 37.605 38.000 -0.453 0.000 1.046 141 I HN 0.553 nan 8.210 nan 0.000 0.405 142 Y N 0.968 121.296 120.300 0.047 0.000 2.331 142 Y HA 0.278 4.792 4.550 -0.060 0.000 0.338 142 Y C 0.367 176.308 175.900 0.068 0.000 0.992 142 Y CA -1.528 56.601 58.100 0.048 0.000 1.121 142 Y CB 0.237 38.726 38.460 0.048 0.000 1.184 142 Y HN -0.021 nan 8.280 nan 0.000 0.469 143 N N 5.283 124.108 118.700 0.207 0.000 2.434 143 N HA 0.014 4.721 4.740 -0.055 0.000 0.268 143 N C -1.936 173.673 175.510 0.165 0.000 1.256 143 N CA -1.247 51.892 53.050 0.148 0.000 0.914 143 N CB 1.150 39.699 38.487 0.103 0.000 1.088 143 N HN 0.346 nan 8.380 nan 0.000 0.478 144 P HA -0.121 nan 4.420 nan 0.000 0.218 144 P C 0.971 178.348 177.300 0.128 0.000 1.148 144 P CA 0.993 64.197 63.100 0.174 0.000 0.822 144 P CB 0.366 32.173 31.700 0.178 0.000 0.784 145 E N -0.146 120.117 120.200 0.106 0.000 2.051 145 E HA -0.148 4.169 4.350 -0.055 0.000 0.192 145 E C 1.828 178.468 176.600 0.066 0.000 0.991 145 E CA 0.961 57.409 56.400 0.080 0.000 0.799 145 E CB -0.471 29.266 29.700 0.063 0.000 0.748 145 E HN 0.166 nan 8.360 nan 0.000 0.449 146 L N 0.131 121.393 121.223 0.065 0.000 2.156 146 L HA -0.108 4.199 4.340 -0.055 0.000 0.208 146 L C 2.439 179.327 176.870 0.030 0.000 1.095 146 L CA 0.275 55.142 54.840 0.044 0.000 0.770 146 L CB -0.175 41.912 42.059 0.047 0.000 0.914 146 L HN 0.094 nan 8.230 nan 0.000 0.439 147 V N 0.348 120.290 119.914 0.048 0.000 2.307 147 V HA -0.273 3.814 4.120 -0.055 0.000 0.245 147 V C 2.349 178.470 176.094 0.045 0.000 1.045 147 V CA 1.740 64.052 62.300 0.020 0.000 1.024 147 V CB -0.179 31.697 31.823 0.089 0.000 0.651 147 V HN 0.293 nan 8.190 nan 0.000 0.449 148 I N 0.276 120.893 120.570 0.078 0.000 2.226 148 I HA -0.266 3.871 4.170 -0.055 0.000 0.245 148 I C 2.667 178.816 176.117 0.053 0.000 1.100 148 I CA 1.477 62.825 61.300 0.080 0.000 1.374 148 I CB -0.584 37.470 38.000 0.090 0.000 1.057 148 I HN 0.304 nan 8.210 nan 0.000 0.413 149 A N 0.765 123.609 122.820 0.041 0.000 1.865 149 A HA -0.304 3.983 4.320 -0.055 0.000 0.217 149 A C 2.331 179.924 177.584 0.015 0.000 1.191 149 A CA 2.286 54.339 52.037 0.027 0.000 0.623 149 A CB -0.572 18.441 19.000 0.022 0.000 0.826 149 A HN 0.354 nan 8.150 nan 0.000 0.444 150 K N -0.631 119.770 120.400 0.002 0.000 2.288 150 K HA -0.062 4.225 4.320 -0.055 0.000 0.201 150 K C 1.012 177.605 176.600 -0.011 0.000 1.048 150 K CA 1.103 57.381 56.287 -0.016 0.000 0.956 150 K CB -0.154 32.319 32.500 -0.044 0.000 0.746 150 K HN 0.421 nan 8.250 nan 0.000 0.461 151 N N 0.858 119.562 118.700 0.007 0.000 2.410 151 N HA 0.106 4.813 4.740 -0.055 0.000 0.231 151 N C -0.852 174.677 175.510 0.032 0.000 1.172 151 N CA 0.100 53.164 53.050 0.023 0.000 0.849 151 N CB -0.201 38.317 38.487 0.051 0.000 1.116 151 N HN 0.213 nan 8.380 nan 0.000 0.485 152 L N -1.261 119.975 121.223 0.022 0.000 3.717 152 L HA -0.286 4.021 4.340 -0.055 0.000 0.411 152 L C 0.953 177.841 176.870 0.031 0.000 1.233 152 L CA 0.339 55.192 54.840 0.022 0.000 0.917 152 L CB -2.191 39.880 42.059 0.019 0.000 1.902 152 L HN 0.424 nan 8.230 nan 0.000 0.894 153 G N -0.988 107.834 108.800 0.037 0.000 2.157 153 G HA2 -0.274 3.653 3.960 -0.055 0.000 0.248 153 G HA3 -0.274 3.653 3.960 -0.055 0.000 0.248 153 G C 0.187 175.121 174.900 0.057 0.000 0.979 153 G CA 0.640 45.766 45.100 0.044 0.000 0.650 153 G HN 0.426 nan 8.290 nan 0.000 0.529 154 K N 0.285 120.725 120.400 0.067 0.000 2.207 154 K HA 0.716 5.003 4.320 -0.055 0.000 0.255 154 K C 0.224 176.899 176.600 0.125 0.000 0.941 154 K CA -0.126 56.216 56.287 0.091 0.000 0.825 154 K CB 1.806 34.358 32.500 0.085 0.000 1.119 154 K HN 0.435 nan 8.250 nan 0.000 0.430 155 A N 4.185 127.107 122.820 0.169 0.000 2.309 155 A HA 0.353 4.640 4.320 -0.055 0.000 0.290 155 A C -2.328 175.406 177.584 0.250 0.000 1.206 155 A CA -1.431 50.728 52.037 0.203 0.000 0.850 155 A CB -0.200 18.943 19.000 0.238 0.000 1.118 155 A HN 0.362 nan 8.150 nan 0.000 0.523 156 P HA 0.085 nan 4.420 nan 0.000 0.264 156 P C 0.480 178.029 177.300 0.415 0.000 1.193 156 P CA 0.243 63.529 63.100 0.311 0.000 0.763 156 P CB 0.324 32.236 31.700 0.353 0.000 0.810 157 I N 0.203 121.055 120.570 0.470 0.000 3.941 157 I HA 0.240 4.377 4.170 -0.055 0.000 0.335 157 I C -0.149 176.397 176.117 0.716 0.000 1.402 157 I CA -0.226 61.467 61.300 0.655 0.000 1.112 157 I CB -0.022 38.312 38.000 0.557 0.000 1.043 157 I HN 0.163 nan 8.210 nan 0.000 0.395 158 T N -3.809 111.074 114.554 0.549 0.000 2.893 158 T HA 0.306 4.623 4.350 -0.055 0.000 0.293 158 T C 0.189 175.011 174.700 0.203 0.000 1.027 158 T CA -0.598 61.716 62.100 0.357 0.000 0.988 158 T CB 1.907 70.924 68.868 0.249 0.000 1.043 158 T HN 0.186 nan 8.240 nan 0.000 0.461 159 Y N 1.959 122.120 120.300 -0.231 0.000 2.145 159 Y HA -0.124 4.389 4.550 -0.060 0.000 0.286 159 Y C 2.569 178.366 175.900 -0.172 0.000 1.145 159 Y CA 1.680 59.457 58.100 -0.537 0.000 1.148 159 Y CB -0.136 37.841 38.460 -0.805 0.000 0.981 159 Y HN 0.611 nan 8.280 nan 0.000 0.507 160 Q N 0.290 120.092 119.800 0.003 0.000 2.124 160 Q HA -0.206 4.101 4.340 -0.055 0.000 0.202 160 Q C 2.223 178.185 176.000 -0.063 0.000 0.977 160 Q CA 1.726 57.502 55.803 -0.045 0.000 0.850 160 Q CB -0.352 28.420 28.738 0.057 0.000 0.901 160 Q HN 0.357 nan 8.270 nan 0.000 0.429 161 K N 0.412 120.825 120.400 0.022 0.000 2.057 161 K HA -0.123 4.164 4.320 -0.055 0.000 0.206 161 K C 1.780 178.391 176.600 0.019 0.000 1.050 161 K CA 0.821 57.132 56.287 0.041 0.000 0.935 161 K CB -0.466 32.103 32.500 0.115 0.000 0.715 161 K HN 0.113 nan 8.250 nan 0.000 0.439 162 F N 0.778 120.671 119.950 -0.095 0.000 2.134 162 F HA -0.084 4.419 4.527 -0.040 0.000 0.299 162 F C 1.447 177.100 175.800 -0.246 0.000 1.097 162 F CA 1.356 59.289 58.000 -0.111 0.000 1.264 162 F CB -0.164 38.831 39.000 -0.008 0.000 1.001 162 F HN -0.028 nan 8.300 nan 0.000 0.479 163 L N 0.011 121.003 121.223 -0.385 0.000 2.046 163 L HA -0.162 4.146 4.340 -0.055 0.000 0.208 163 L C 2.795 179.436 176.870 -0.381 0.000 1.077 163 L CA 1.397 55.958 54.840 -0.466 0.000 0.747 163 L CB -1.574 40.250 42.059 -0.392 0.000 0.896 163 L HN 0.366 nan 8.230 nan 0.000 0.432 164 G N 0.124 108.766 108.800 -0.262 0.000 2.422 164 G HA2 -0.202 3.725 3.960 -0.055 0.000 0.218 164 G HA3 -0.202 3.725 3.960 -0.055 0.000 0.218 164 G C 1.490 176.253 174.900 -0.228 0.000 1.146 164 G CA 0.387 45.372 45.100 -0.192 0.000 0.769 164 G HN 0.148 nan 8.290 nan 0.000 0.547 165 I N 1.588 121.990 120.570 -0.281 0.000 2.202 165 I HA -0.108 4.029 4.170 -0.055 0.000 0.242 165 I C 3.189 179.052 176.117 -0.424 0.000 1.091 165 I CA 1.230 62.355 61.300 -0.292 0.000 1.368 165 I CB -1.291 36.556 38.000 -0.255 0.000 1.058 165 I HN 0.218 nan 8.210 nan 0.000 0.410 166 V N 1.080 120.579 119.914 -0.691 0.000 2.427 166 V HA -0.199 3.888 4.120 -0.055 0.000 0.248 166 V C 2.252 177.941 176.094 -0.676 0.000 1.051 166 V CA 1.770 63.498 62.300 -0.952 0.000 1.048 166 V CB -1.309 29.634 31.823 -1.468 0.000 0.666 166 V HN 0.601 nan 8.190 nan 0.000 0.456 167 E N 2.217 122.162 120.200 -0.426 0.000 2.265 167 E HA -0.313 4.004 4.350 -0.055 0.000 0.196 167 E C 1.976 178.484 176.600 -0.154 0.000 0.996 167 E CA 1.454 57.720 56.400 -0.222 0.000 0.832 167 E CB -0.480 29.123 29.700 -0.163 0.000 0.756 167 E HN 0.906 nan 8.360 nan 0.000 0.491 168 Q N 1.015 120.707 119.800 -0.180 0.000 2.247 168 Q HA 0.226 4.533 4.340 -0.055 0.000 0.205 168 Q C 0.140 176.081 176.000 -0.097 0.000 0.896 168 Q CA -0.097 55.638 55.803 -0.113 0.000 0.950 168 Q CB 0.126 28.802 28.738 -0.102 0.000 1.054 168 Q HN 0.258 nan 8.270 nan 0.000 0.482 169 L N 1.315 122.467 121.223 -0.117 0.000 2.334 169 L HA 0.477 4.784 4.340 -0.055 0.000 0.273 169 L C -0.280 176.639 176.870 0.082 0.000 1.013 169 L CA -1.170 53.647 54.840 -0.038 0.000 0.816 169 L CB 1.919 43.925 42.059 -0.090 0.000 1.278 169 L HN 0.010 nan 8.230 nan 0.000 0.431 170 K N 1.492 121.943 120.400 0.085 0.000 2.322 170 K HA 0.298 4.585 4.320 -0.055 0.000 0.283 170 K C -0.832 175.841 176.600 0.121 0.000 1.042 170 K CA -0.481 55.856 56.287 0.084 0.000 0.958 170 K CB 1.217 33.745 32.500 0.047 0.000 0.984 170 K HN 0.227 nan 8.250 nan 0.000 0.473 171 V N 5.458 125.420 119.914 0.080 0.000 2.432 171 V HA 0.126 4.213 4.120 -0.055 0.000 0.271 171 V C -1.749 174.330 176.094 -0.025 0.000 1.046 171 V CA -1.680 60.610 62.300 -0.017 0.000 0.945 171 V CB 0.240 32.027 31.823 -0.061 0.000 0.992 171 V HN 0.720 nan 8.190 nan 0.000 0.471 172 P HA 0.219 nan 4.420 nan 0.000 0.270 172 P C -0.290 177.004 177.300 -0.010 0.000 1.223 172 P CA -0.497 62.598 63.100 -0.008 0.000 0.785 172 P CB 0.501 32.203 31.700 0.002 0.000 0.923 173 K N 0.642 121.047 120.400 0.007 0.000 2.379 173 K HA 0.215 4.502 4.320 -0.055 0.000 0.284 173 K C -0.566 176.042 176.600 0.013 0.000 1.044 173 K CA -0.441 55.851 56.287 0.008 0.000 0.974 173 K CB 0.425 32.932 32.500 0.013 0.000 0.962 173 K HN 0.176 nan 8.250 nan 0.000 0.474 174 V N 6.072 125.992 119.914 0.010 0.000 2.408 174 V HA 0.135 4.222 4.120 -0.055 0.000 0.267 174 V C 0.442 176.552 176.094 0.027 0.000 1.047 174 V CA -0.402 61.912 62.300 0.024 0.000 0.937 174 V CB 0.298 32.136 31.823 0.025 0.000 0.999 174 V HN 0.573 nan 8.190 nan 0.000 0.472 175 L N 3.965 125.209 121.223 0.035 0.000 2.416 175 L HA 0.649 4.956 4.340 -0.055 0.000 0.262 175 L C 1.238 178.132 176.870 0.041 0.000 1.093 175 L CA -0.136 54.720 54.840 0.027 0.000 0.801 175 L CB 0.824 42.892 42.059 0.014 0.000 1.191 175 L HN 0.724 nan 8.230 nan 0.000 0.459 176 G N 0.345 109.157 108.800 0.021 0.000 2.531 176 G HA2 0.438 4.365 3.960 -0.055 0.000 0.253 176 G HA3 0.438 4.365 3.960 -0.055 0.000 0.253 176 G C -0.290 174.619 174.900 0.016 0.000 1.439 176 G CA -0.511 44.602 45.100 0.021 0.000 1.056 176 G HN 0.288 nan 8.290 nan 0.000 0.555 177 V N 1.396 121.307 119.914 -0.006 0.000 2.953 177 V HA 0.252 4.339 4.120 -0.055 0.000 0.304 177 V C -1.644 174.385 176.094 -0.108 0.000 1.073 177 V CA -0.823 61.447 62.300 -0.050 0.000 1.064 177 V CB 1.189 32.982 31.823 -0.050 0.000 1.047 177 V HN 0.468 nan 8.190 nan 0.000 0.478 178 P HA 0.276 nan 4.420 nan 0.000 0.274 178 P C -0.531 176.619 177.300 -0.249 0.000 1.237 178 P CA -0.437 62.478 63.100 -0.309 0.000 0.793 178 P CB 0.538 31.773 31.700 -0.775 0.000 0.977 179 E N 0.939 121.074 120.200 -0.108 0.000 2.373 179 E HA 0.098 4.415 4.350 -0.055 0.000 0.263 179 E C 0.020 176.647 176.600 0.045 0.000 1.073 179 E CA -0.159 56.233 56.400 -0.013 0.000 0.894 179 E CB 0.307 30.034 29.700 0.045 0.000 1.008 179 E HN 0.114 nan 8.360 nan 0.000 0.420 180 K N 3.018 123.451 120.400 0.053 0.000 2.402 180 K HA 0.075 4.362 4.320 -0.055 0.000 0.285 180 K C -0.356 176.333 176.600 0.148 0.000 1.054 180 K CA -0.134 56.207 56.287 0.091 0.000 1.001 180 K CB 0.072 32.604 32.500 0.053 0.000 0.946 180 K HN 0.508 nan 8.250 nan 0.000 0.473 181 L N 5.527 126.886 121.223 0.226 0.000 2.628 181 L HA -0.060 4.247 4.340 -0.055 0.000 0.274 181 L C 0.501 177.441 176.870 0.117 0.000 1.209 181 L CA 0.678 55.635 54.840 0.195 0.000 0.930 181 L CB -0.046 42.129 42.059 0.194 0.000 1.183 181 L HN 0.428 nan 8.230 nan 0.000 0.492 182 K N 4.608 125.063 120.400 0.091 0.000 2.276 182 K HA 0.170 4.457 4.320 -0.055 0.000 0.285 182 K C -0.185 176.445 176.600 0.050 0.000 1.062 182 K CA -0.653 55.671 56.287 0.062 0.000 0.918 182 K CB 0.576 33.107 32.500 0.051 0.000 1.055 182 K HN 0.550 nan 8.250 nan 0.000 0.477 183 N N 2.089 120.816 118.700 0.046 0.000 2.648 183 N HA -0.201 4.506 4.740 -0.055 0.000 0.265 183 N C -1.097 174.435 175.510 0.037 0.000 1.100 183 N CA 0.678 53.749 53.050 0.035 0.000 0.715 183 N CB -0.900 37.596 38.487 0.015 0.000 0.881 183 N HN 0.572 nan 8.380 nan 0.000 0.548 184 M N 0.973 120.615 119.600 0.071 0.000 1.956 184 M HA 0.390 4.837 4.480 -0.055 0.000 0.256 184 M C -2.502 173.894 176.300 0.159 0.000 0.869 184 M CA -1.406 53.960 55.300 0.110 0.000 0.886 184 M CB 1.270 33.941 32.600 0.117 0.000 1.739 184 M HN 0.042 nan 8.290 nan 0.000 0.381 185 P HA 0.287 nan 4.420 nan 0.000 0.274 185 P C -0.568 176.869 177.300 0.228 0.000 1.246 185 P CA -0.214 63.003 63.100 0.194 0.000 0.795 185 P CB 0.265 32.079 31.700 0.190 0.000 1.006 186 T N -0.935 113.688 114.554 0.115 0.000 2.902 186 T HA 0.191 4.508 4.350 -0.055 0.000 0.301 186 T C -2.215 172.400 174.700 -0.142 0.000 1.012 186 T CA -1.087 61.039 62.100 0.044 0.000 1.151 186 T CB -0.818 68.071 68.868 0.036 0.000 0.946 186 T HN 0.185 nan 8.240 nan 0.000 0.542 187 P HA 0.205 nan 4.420 nan 0.000 0.267 187 P C -2.181 174.815 177.300 -0.506 0.000 1.200 187 P CA -1.116 61.425 63.100 -0.932 0.000 0.772 187 P CB -0.384 30.796 31.700 -0.866 0.000 0.855 188 P HA 0.061 nan 4.420 nan 0.000 0.268 188 P C -0.474 176.729 177.300 -0.162 0.000 1.205 188 P CA 0.099 63.070 63.100 -0.215 0.000 0.771 188 P CB 0.544 32.157 31.700 -0.146 0.000 0.858 189 K N 2.102 122.456 120.400 -0.077 0.000 2.451 189 K HA 0.048 4.335 4.320 -0.055 0.000 0.280 189 K C 0.708 177.318 176.600 0.017 0.000 1.020 189 K CA 0.009 56.279 56.287 -0.030 0.000 1.008 189 K CB 0.080 32.569 32.500 -0.019 0.000 0.917 189 K HN 0.542 nan 8.250 nan 0.000 0.478 190 D N 1.931 122.387 120.400 0.094 0.000 2.354 190 D HA -0.018 4.589 4.640 -0.055 0.000 0.247 190 D C 0.441 176.795 176.300 0.091 0.000 1.138 190 D CA -0.426 53.684 54.000 0.182 0.000 0.958 190 D CB 0.743 41.823 40.800 0.467 0.000 1.144 190 D HN 0.478 nan 8.370 nan 0.000 0.458 191 E N 0.381 120.625 120.200 0.074 0.000 2.172 191 E HA -0.272 4.045 4.350 -0.055 0.000 0.213 191 E C 1.918 178.518 176.600 -0.001 0.000 1.051 191 E CA 2.259 58.674 56.400 0.026 0.000 0.860 191 E CB -0.673 29.035 29.700 0.014 0.000 0.755 191 E HN 0.386 nan 8.360 nan 0.000 0.462 192 V N 0.773 120.686 119.914 -0.001 0.000 2.453 192 V HA -0.198 3.889 4.120 -0.055 0.000 0.247 192 V C 2.026 178.026 176.094 -0.157 0.000 1.048 192 V CA 1.980 64.236 62.300 -0.073 0.000 1.049 192 V CB -0.526 31.252 31.823 -0.074 0.000 0.672 192 V HN 0.211 nan 8.190 nan 0.000 0.457 193 E N -0.158 119.950 120.200 -0.153 0.000 2.208 193 E HA -0.194 4.123 4.350 -0.055 0.000 0.193 193 E C 2.335 178.889 176.600 -0.077 0.000 0.988 193 E CA 0.798 57.105 56.400 -0.156 0.000 0.828 193 E CB -0.076 29.573 29.700 -0.086 0.000 0.763 193 E HN 0.658 nan 8.360 nan 0.000 0.478 194 Q N 0.468 120.241 119.800 -0.045 0.000 2.119 194 Q HA -0.100 4.207 4.340 -0.055 0.000 0.201 194 Q C 1.878 177.858 176.000 -0.034 0.000 0.972 194 Q CA 1.037 56.823 55.803 -0.029 0.000 0.847 194 Q CB 0.122 28.852 28.738 -0.013 0.000 0.903 194 Q HN 0.091 nan 8.270 nan 0.000 0.433 195 K N -0.028 120.346 120.400 -0.042 0.000 2.155 195 K HA -0.065 4.222 4.320 -0.055 0.000 0.203 195 K C -0.007 176.566 176.600 -0.046 0.000 1.052 195 K CA 0.823 57.087 56.287 -0.039 0.000 0.948 195 K CB 0.306 32.783 32.500 -0.038 0.000 0.728 195 K HN 0.022 nan 8.250 nan 0.000 0.448 196 D N -0.904 119.456 120.400 -0.067 0.000 2.616 196 D HA 0.042 4.649 4.640 -0.055 0.000 0.238 196 D C 0.510 176.757 176.300 -0.089 0.000 1.354 196 D CA -0.310 53.650 54.000 -0.068 0.000 0.970 196 D CB 1.495 42.254 40.800 -0.067 0.000 1.369 196 D HN -0.040 nan 8.370 nan 0.000 0.585 197 S N 2.479 118.143 115.700 -0.059 0.000 2.399 197 S HA -0.130 4.307 4.470 -0.055 0.000 0.231 197 S C 1.728 176.301 174.600 -0.044 0.000 1.022 197 S CA 0.867 59.038 58.200 -0.048 0.000 0.983 197 S CB -0.141 63.045 63.200 -0.024 0.000 0.803 197 S HN 0.469 nan 8.310 nan 0.000 0.480 198 A N 0.666 123.462 122.820 -0.039 0.000 2.302 198 A HA 0.769 5.056 4.320 -0.055 0.000 0.219 198 A C 2.038 179.610 177.584 -0.019 0.000 1.243 198 A CA 0.543 52.570 52.037 -0.017 0.000 0.856 198 A CB -0.869 18.125 19.000 -0.010 0.000 0.893 198 A HN 0.697 nan 8.150 nan 0.000 0.491 199 A N -0.668 122.097 122.820 -0.092 0.000 1.933 199 A HA -0.085 4.202 4.320 -0.055 0.000 0.218 199 A C 1.393 178.987 177.584 0.018 0.000 1.175 199 A CA 1.286 53.243 52.037 -0.134 0.000 0.628 199 A CB -0.529 18.261 19.000 -0.349 0.000 0.814 199 A HN 0.538 nan 8.150 nan 0.000 0.444 200 Y N 0.858 121.237 120.300 0.132 0.000 2.625 200 Y HA 0.244 4.761 4.550 -0.054 0.000 0.285 200 Y C -0.218 175.754 175.900 0.120 0.000 1.168 200 Y CA -1.799 56.412 58.100 0.185 0.000 1.250 200 Y CB -0.690 37.983 38.460 0.355 0.000 1.130 200 Y HN 0.195 nan 8.280 nan 0.000 0.526 201 D N -0.779 119.733 120.400 0.187 0.000 2.360 201 D HA 0.037 4.644 4.640 -0.055 0.000 0.242 201 D C 0.133 176.485 176.300 0.086 0.000 1.184 201 D CA -0.136 53.916 54.000 0.088 0.000 0.930 201 D CB 0.839 41.664 40.800 0.042 0.000 1.161 201 D HN 0.019 nan 8.370 nan 0.000 0.447 202 C N 2.462 121.784 119.300 0.035 0.000 2.642 202 C HA 0.151 4.578 4.460 -0.055 0.000 0.420 202 C C -1.750 173.259 174.990 0.031 0.000 1.349 202 C CA -0.969 58.064 59.018 0.025 0.000 1.821 202 C CB -0.537 27.192 27.740 -0.019 0.000 2.637 202 C HN 0.430 nan 8.230 nan 0.000 0.605 203 P HA 0.176 nan 4.420 nan 0.000 0.271 203 P C 0.012 177.317 177.300 0.009 0.000 1.216 203 P CA 0.185 63.304 63.100 0.033 0.000 0.776 203 P CB 0.333 32.063 31.700 0.049 0.000 0.881 204 T N -0.488 114.066 114.554 0.000 0.000 2.788 204 T HA 0.169 4.487 4.350 -0.055 0.000 0.287 204 T C 1.648 176.343 174.700 -0.008 0.000 1.007 204 T CA -0.717 61.379 62.100 -0.007 0.000 1.005 204 T CB 0.293 69.155 68.868 -0.009 0.000 1.012 204 T HN 0.136 nan 8.240 nan 0.000 0.530 205 M N 0.512 120.108 119.600 -0.006 0.000 2.108 205 M HA -0.078 4.369 4.480 -0.055 0.000 0.261 205 M C 2.213 178.506 176.300 -0.012 0.000 1.066 205 M CA 1.826 57.127 55.300 0.002 0.000 1.107 205 M CB -1.139 31.465 32.600 0.007 0.000 1.356 205 M HN 0.737 nan 8.290 nan 0.000 0.406 206 K N -0.295 120.095 120.400 -0.017 0.000 2.097 206 K HA -0.187 4.100 4.320 -0.055 0.000 0.206 206 K C 2.002 178.573 176.600 -0.049 0.000 1.049 206 K CA 1.215 57.487 56.287 -0.026 0.000 0.933 206 K CB -0.126 32.362 32.500 -0.020 0.000 0.717 206 K HN 0.501 nan 8.250 nan 0.000 0.442 207 Q N 0.108 119.878 119.800 -0.050 0.000 2.172 207 Q HA -0.016 4.291 4.340 -0.055 0.000 0.200 207 Q C 1.944 177.862 176.000 -0.138 0.000 0.964 207 Q CA 0.810 56.572 55.803 -0.069 0.000 0.855 207 Q CB 0.250 28.965 28.738 -0.037 0.000 0.918 207 Q HN 0.297 nan 8.270 nan 0.000 0.444 208 L N -0.640 120.494 121.223 -0.148 0.000 2.425 208 L HA 0.105 4.412 4.340 -0.055 0.000 0.215 208 L C 0.194 176.819 176.870 -0.409 0.000 1.065 208 L CA 0.087 54.742 54.840 -0.308 0.000 0.842 208 L CB 1.039 43.039 42.059 -0.099 0.000 1.033 208 L HN -0.091 nan 8.230 nan 0.000 0.474 209 V N 1.007 120.828 119.914 -0.154 0.000 2.247 209 V HA 0.146 4.233 4.120 -0.055 0.000 0.262 209 V C 0.896 176.956 176.094 -0.057 0.000 1.096 209 V CA -0.364 61.902 62.300 -0.057 0.000 0.895 209 V CB 0.619 32.475 31.823 0.055 0.000 1.141 209 V HN 0.170 nan 8.190 nan 0.000 0.478 210 K N 2.544 122.887 120.400 -0.095 0.000 2.228 210 K HA 0.118 4.405 4.320 -0.055 0.000 0.202 210 K C 0.906 177.507 176.600 0.001 0.000 1.051 210 K CA 0.712 56.967 56.287 -0.054 0.000 0.960 210 K CB 0.192 32.650 32.500 -0.069 0.000 0.743 210 K HN 0.419 nan 8.250 nan 0.000 0.458 211 R N 1.061 121.583 120.500 0.037 0.000 2.651 211 R HA 0.136 4.443 4.340 -0.055 0.000 0.282 211 R C -1.967 174.374 176.300 0.068 0.000 1.565 211 R CA -1.160 54.973 56.100 0.055 0.000 1.661 211 R CB 1.035 31.379 30.300 0.073 0.000 1.189 211 R HN -0.079 nan 8.270 nan 0.000 0.621 212 P HA -0.164 nan 4.420 nan 0.000 0.233 212 P C 0.718 178.050 177.300 0.054 0.000 1.167 212 P CA 0.897 64.030 63.100 0.056 0.000 0.770 212 P CB 0.408 32.130 31.700 0.037 0.000 0.837 213 E N 1.260 121.489 120.200 0.048 0.000 2.338 213 E HA -0.172 4.145 4.350 -0.055 0.000 0.197 213 E C 1.053 177.685 176.600 0.053 0.000 1.007 213 E CA 0.974 57.400 56.400 0.044 0.000 0.849 213 E CB -0.677 29.044 29.700 0.036 0.000 0.774 213 E HN 0.365 nan 8.360 nan 0.000 0.506 214 E N 0.679 120.920 120.200 0.068 0.000 2.489 214 E HA 0.160 4.477 4.350 -0.055 0.000 0.193 214 E C 0.219 176.869 176.600 0.084 0.000 1.057 214 E CA -0.218 56.229 56.400 0.078 0.000 0.866 214 E CB 0.174 29.931 29.700 0.095 0.000 0.916 214 E HN 0.240 nan 8.360 nan 0.000 0.500 215 L N 1.188 122.460 121.223 0.081 0.000 2.367 215 L HA 0.220 4.527 4.340 -0.055 0.000 0.275 215 L C 0.852 177.762 176.870 0.066 0.000 1.129 215 L CA -0.474 54.416 54.840 0.082 0.000 0.839 215 L CB 0.885 42.991 42.059 0.078 0.000 1.133 215 L HN 0.038 nan 8.230 nan 0.000 0.453 216 G N 3.107 111.949 108.800 0.070 0.000 2.795 216 G HA2 0.584 4.511 3.960 -0.055 0.000 0.267 216 G HA3 0.584 4.511 3.960 -0.055 0.000 0.267 216 G C -2.618 172.310 174.900 0.047 0.000 1.362 216 G CA -1.000 44.136 45.100 0.059 0.000 1.048 216 G HN 0.418 nan 8.290 nan 0.000 0.547 217 P HA 0.032 nan 4.420 nan 0.000 0.268 217 P C -0.416 176.875 177.300 -0.015 0.000 1.204 217 P CA -0.120 62.981 63.100 0.001 0.000 0.768 217 P CB 0.712 32.404 31.700 -0.012 0.000 0.842 218 N N 2.697 121.382 118.700 -0.024 0.000 3.193 218 N HA -0.016 4.691 4.740 -0.055 0.000 0.312 218 N C 0.902 176.348 175.510 -0.107 0.000 1.261 218 N CA -0.193 52.842 53.050 -0.025 0.000 1.208 218 N CB 0.009 38.491 38.487 -0.007 0.000 1.471 218 N HN 0.294 nan 8.380 nan 0.000 0.548 219 K N 0.200 120.451 120.400 -0.249 0.000 2.211 219 K HA -0.059 4.228 4.320 -0.055 0.000 0.203 219 K C -0.393 175.744 176.600 -0.772 0.000 1.050 219 K CA 0.926 56.837 56.287 -0.627 0.000 0.945 219 K CB 0.228 32.108 32.500 -1.033 0.000 0.732 219 K HN 0.260 nan 8.250 nan 0.000 0.451 220 F N 0.837 120.863 119.950 0.127 0.000 2.824 220 F HA 0.306 4.804 4.527 -0.048 0.000 0.375 220 F C -2.572 173.379 175.800 0.252 0.000 1.190 220 F CA -3.255 54.871 58.000 0.211 0.000 1.180 220 F CB 0.861 39.986 39.000 0.209 0.000 1.477 220 F HN -0.245 nan 8.300 nan 0.000 0.542 221 P HA 0.212 nan 4.420 nan 0.000 0.269 221 P C 0.578 177.824 177.300 -0.090 0.000 1.209 221 P CA -0.017 63.114 63.100 0.053 0.000 0.776 221 P CB 0.921 32.632 31.700 0.017 0.000 0.876 222 G N 0.375 108.794 108.800 -0.636 0.000 2.580 222 G HA2 0.557 4.484 3.960 -0.055 0.000 0.278 222 G HA3 0.557 4.484 3.960 -0.055 0.000 0.278 222 G C -0.030 174.607 174.900 -0.439 0.000 1.212 222 G CA -0.080 44.271 45.100 -1.249 0.000 0.939 222 G HN 0.823 nan 8.290 nan 0.000 0.513 223 G N -1.206 107.397 108.800 -0.329 0.000 2.619 223 G HA2 -0.124 3.803 3.960 -0.055 0.000 0.686 223 G HA3 -0.124 3.803 3.960 -0.055 0.000 0.686 223 G C 0.515 175.455 174.900 0.068 0.000 1.256 223 G CA 0.455 45.488 45.100 -0.111 0.000 0.826 223 G HN 0.830 nan 8.290 nan 0.000 0.619 224 E N -0.618 119.607 120.200 0.040 0.000 2.072 224 E HA -0.123 4.194 4.350 -0.055 0.000 0.191 224 E C 2.427 179.050 176.600 0.038 0.000 0.985 224 E CA 1.966 58.421 56.400 0.091 0.000 0.801 224 E CB -0.178 29.570 29.700 0.080 0.000 0.750 224 E HN 0.588 nan 8.360 nan 0.000 0.452 225 T N 0.811 115.360 114.554 -0.008 0.000 2.652 225 T HA -0.218 4.099 4.350 -0.055 0.000 0.267 225 T C 1.734 176.389 174.700 -0.074 0.000 1.039 225 T CA 1.772 63.848 62.100 -0.039 0.000 1.153 225 T CB -0.320 68.520 68.868 -0.046 0.000 0.863 225 T HN 0.233 nan 8.240 nan 0.000 0.428 226 E N 1.345 121.499 120.200 -0.076 0.000 2.150 226 E HA 0.025 4.342 4.350 -0.055 0.000 0.193 226 E C 2.132 178.541 176.600 -0.318 0.000 0.985 226 E CA 1.188 57.512 56.400 -0.127 0.000 0.814 226 E CB -0.542 29.141 29.700 -0.028 0.000 0.752 226 E HN 0.428 nan 8.360 nan 0.000 0.466 227 A N 0.703 123.304 122.820 -0.366 0.000 1.858 227 A HA -0.151 4.136 4.320 -0.055 0.000 0.216 227 A C 2.331 179.704 177.584 -0.352 0.000 1.190 227 A CA 1.593 53.275 52.037 -0.592 0.000 0.617 227 A CB -0.924 17.984 19.000 -0.153 0.000 0.827 227 A HN 0.353 nan 8.150 nan 0.000 0.443 228 L N -1.077 120.030 121.223 -0.193 0.000 2.046 228 L HA -0.197 4.110 4.340 -0.055 0.000 0.208 228 L C 2.863 179.632 176.870 -0.167 0.000 1.077 228 L CA 1.702 56.436 54.840 -0.177 0.000 0.747 228 L CB -0.460 41.508 42.059 -0.152 0.000 0.896 228 L HN 0.463 nan 8.230 nan 0.000 0.432 229 R N 0.369 120.775 120.500 -0.158 0.000 2.081 229 R HA -0.218 4.089 4.340 -0.055 0.000 0.235 229 R C 2.451 178.663 176.300 -0.146 0.000 1.131 229 R CA 1.818 57.840 56.100 -0.131 0.000 0.960 229 R CB -0.167 30.066 30.300 -0.113 0.000 0.856 229 R HN 0.267 nan 8.270 nan 0.000 0.436 230 R N 0.177 120.551 120.500 -0.210 0.000 2.066 230 R HA -0.097 4.210 4.340 -0.055 0.000 0.232 230 R C 2.448 178.642 176.300 -0.177 0.000 1.131 230 R CA 1.608 57.586 56.100 -0.203 0.000 0.955 230 R CB -0.292 29.826 30.300 -0.304 0.000 0.851 230 R HN 0.249 nan 8.270 nan 0.000 0.432 231 M N 0.736 120.205 119.600 -0.218 0.000 2.080 231 M HA -0.193 4.254 4.480 -0.055 0.000 0.260 231 M C 1.561 177.826 176.300 -0.059 0.000 1.068 231 M CA 1.807 57.004 55.300 -0.172 0.000 1.109 231 M CB -0.114 32.347 32.600 -0.230 0.000 1.342 231 M HN 0.137 nan 8.290 nan 0.000 0.405 232 E N 0.277 120.434 120.200 -0.072 0.000 2.118 232 E HA -0.272 4.045 4.350 -0.055 0.000 0.195 232 E C 1.772 178.355 176.600 -0.029 0.000 0.992 232 E CA 1.623 58.000 56.400 -0.039 0.000 0.804 232 E CB -0.474 29.193 29.700 -0.055 0.000 0.741 232 E HN 0.685 nan 8.360 nan 0.000 0.458 233 E N 0.335 120.503 120.200 -0.053 0.000 2.152 233 E HA -0.086 4.231 4.350 -0.055 0.000 0.192 233 E C 1.922 178.490 176.600 -0.055 0.000 0.983 233 E CA 0.858 57.224 56.400 -0.057 0.000 0.818 233 E CB 0.190 29.845 29.700 -0.075 0.000 0.758 233 E HN 0.020 nan 8.360 nan 0.000 0.467 234 S N 0.467 116.144 115.700 -0.038 0.000 2.402 234 S HA -0.046 4.391 4.470 -0.055 0.000 0.229 234 S C 1.728 176.393 174.600 0.108 0.000 1.021 234 S CA 0.614 58.812 58.200 -0.003 0.000 0.974 234 S CB 0.006 63.240 63.200 0.058 0.000 0.800 234 S HN 0.291 nan 8.310 nan 0.000 0.484 235 L N 0.892 122.179 121.223 0.105 0.000 2.558 235 L HA 0.163 4.471 4.340 -0.055 0.000 0.225 235 L C 2.231 179.156 176.870 0.091 0.000 1.128 235 L CA 0.283 55.202 54.840 0.132 0.000 0.868 235 L CB -0.204 41.922 42.059 0.113 0.000 1.006 235 L HN 0.228 nan 8.230 nan 0.000 0.454 236 K N 0.692 121.123 120.400 0.051 0.000 1.991 236 K HA -0.198 4.089 4.320 -0.055 0.000 0.212 236 K C 0.753 177.385 176.600 0.054 0.000 1.049 236 K CA 1.358 57.663 56.287 0.030 0.000 0.932 236 K CB 0.032 32.530 32.500 -0.004 0.000 0.717 236 K HN 0.054 nan 8.250 nan 0.000 0.441 237 D N 1.463 121.904 120.400 0.068 0.000 2.383 237 D HA -0.019 4.588 4.640 -0.055 0.000 0.245 237 D C 0.256 176.673 176.300 0.195 0.000 1.263 237 D CA 0.380 54.449 54.000 0.116 0.000 0.936 237 D CB 0.748 41.614 40.800 0.110 0.000 1.053 237 D HN 0.195 nan 8.370 nan 0.000 0.507 238 E N 3.019 123.302 120.200 0.138 0.000 2.208 238 E HA -0.117 4.200 4.350 -0.055 0.000 0.193 238 E C 1.723 178.409 176.600 0.143 0.000 0.988 238 E CA 0.365 56.841 56.400 0.128 0.000 0.828 238 E CB 0.391 30.135 29.700 0.074 0.000 0.763 238 E HN 0.571 nan 8.360 nan 0.000 0.478 239 I N 0.052 120.716 120.570 0.156 0.000 2.202 239 I HA -0.235 3.902 4.170 -0.055 0.000 0.242 239 I C 2.236 178.471 176.117 0.197 0.000 1.091 239 I CA 1.090 62.479 61.300 0.149 0.000 1.368 239 I CB -1.304 36.777 38.000 0.135 0.000 1.058 239 I HN 0.312 nan 8.210 nan 0.000 0.410 240 W N 1.924 123.276 121.300 0.085 0.000 2.335 240 W HA -0.223 4.402 4.660 -0.058 0.000 0.311 240 W C 2.541 179.166 176.519 0.177 0.000 1.213 240 W CA 2.039 59.458 57.345 0.123 0.000 1.274 240 W CB -0.547 28.983 29.460 0.117 0.000 1.148 240 W HN -0.137 nan 8.180 nan 0.000 0.498 241 V N 1.275 121.351 119.914 0.270 0.000 2.287 241 V HA -0.329 3.758 4.120 -0.055 0.000 0.248 241 V C 2.477 178.552 176.094 -0.031 0.000 1.053 241 V CA 2.402 64.735 62.300 0.055 0.000 1.027 241 V CB -1.790 30.119 31.823 0.144 0.000 0.646 241 V HN 0.361 nan 8.190 nan 0.000 0.447 242 A N -0.330 122.512 122.820 0.037 0.000 1.930 242 A HA -0.145 4.142 4.320 -0.055 0.000 0.217 242 A C 2.264 179.894 177.584 0.076 0.000 1.175 242 A CA 1.428 53.497 52.037 0.053 0.000 0.627 242 A CB -0.360 18.687 19.000 0.079 0.000 0.815 242 A HN 0.523 nan 8.150 nan 0.000 0.443 243 R N -1.936 118.586 120.500 0.036 0.000 2.359 243 R HA 0.212 4.520 4.340 -0.055 0.000 0.231 243 R C -0.314 175.955 176.300 -0.051 0.000 0.913 243 R CA -0.508 55.599 56.100 0.012 0.000 1.075 243 R CB -0.165 30.143 30.300 0.013 0.000 1.087 243 R HN 0.493 nan 8.270 nan 0.000 0.515 244 F N 2.672 122.452 119.950 -0.283 0.000 2.602 244 F HA -0.074 4.418 4.527 -0.057 0.000 0.385 244 F C -0.081 175.599 175.800 -0.200 0.000 1.063 244 F CA 0.668 58.428 58.000 -0.400 0.000 1.233 244 F CB 0.399 39.067 39.000 -0.554 0.000 1.067 244 F HN -0.033 nan 8.300 nan 0.000 0.564 245 E N 5.510 125.361 120.200 -0.583 0.000 2.255 245 E HA 0.094 4.411 4.350 -0.055 0.000 0.256 245 E C 0.259 176.504 176.600 -0.592 0.000 0.887 245 E CA -0.807 55.365 56.400 -0.380 0.000 0.782 245 E CB 1.923 31.516 29.700 -0.179 0.000 1.214 245 E HN 0.511 nan 8.360 nan 0.000 0.417 246 K N 3.355 123.493 120.400 -0.436 0.000 2.059 246 K HA -0.151 4.136 4.320 -0.055 0.000 0.212 246 K C -1.030 175.471 176.600 -0.165 0.000 1.050 246 K CA 1.981 58.089 56.287 -0.298 0.000 0.927 246 K CB -0.831 31.625 32.500 -0.073 0.000 0.714 246 K HN 0.280 nan 8.250 nan 0.000 0.447 247 P HA -0.040 nan 4.420 nan 0.000 0.222 247 P C 0.064 177.340 177.300 -0.041 0.000 1.147 247 P CA 1.025 64.104 63.100 -0.034 0.000 0.790 247 P CB 0.027 31.721 31.700 -0.009 0.000 0.780 248 N N -1.088 117.547 118.700 -0.108 0.000 2.398 248 N HA -0.001 4.706 4.740 -0.055 0.000 0.188 248 N C 0.312 175.758 175.510 -0.107 0.000 1.122 248 N CA 0.574 53.562 53.050 -0.104 0.000 0.866 248 N CB -0.393 38.021 38.487 -0.123 0.000 0.970 248 N HN 0.258 nan 8.380 nan 0.000 0.462 249 T N -1.753 112.742 114.554 -0.098 0.000 2.837 249 T HA 0.667 4.984 4.350 -0.055 0.000 0.285 249 T C 0.127 174.734 174.700 -0.154 0.000 0.984 249 T CA -0.991 61.077 62.100 -0.053 0.000 1.049 249 T CB 2.197 71.119 68.868 0.089 0.000 0.947 249 T HN 0.084 nan 8.240 nan 0.000 0.472 250 A N 5.276 127.952 122.820 -0.240 0.000 2.362 250 A HA 0.564 4.851 4.320 -0.055 0.000 0.276 250 A C -0.929 176.254 177.584 -0.669 0.000 1.153 250 A CA -1.810 50.017 52.037 -0.349 0.000 0.813 250 A CB 0.316 19.196 19.000 -0.200 0.000 1.081 250 A HN 0.742 nan 8.150 nan 0.000 0.507 251 P HA -0.134 nan 4.420 nan 0.000 0.217 251 P C 0.401 177.463 177.300 -0.396 0.000 1.151 251 P CA 1.370 64.223 63.100 -0.411 0.000 0.828 251 P CB -0.007 31.669 31.700 -0.041 0.000 0.788 252 N N -0.517 117.939 118.700 -0.407 0.000 2.268 252 N HA -0.002 4.705 4.740 -0.055 0.000 0.204 252 N C 0.150 175.512 175.510 -0.246 0.000 1.124 252 N CA -0.225 52.430 53.050 -0.657 0.000 0.838 252 N CB -0.946 37.328 38.487 -0.355 0.000 0.994 252 N HN 0.075 nan 8.380 nan 0.000 0.489 253 S N -0.340 115.297 115.700 -0.105 0.000 2.576 253 S HA 0.215 4.652 4.470 -0.055 0.000 0.276 253 S C 1.232 175.935 174.600 0.171 0.000 1.339 253 S CA -0.764 57.465 58.200 0.048 0.000 1.039 253 S CB 0.958 64.176 63.200 0.030 0.000 0.902 253 S HN 0.176 nan 8.310 nan 0.000 0.516 254 L N 0.063 121.409 121.223 0.206 0.000 2.156 254 L HA 0.068 4.375 4.340 -0.055 0.000 0.208 254 L C 1.007 178.015 176.870 0.231 0.000 1.095 254 L CA 1.038 56.037 54.840 0.265 0.000 0.770 254 L CB -0.258 41.898 42.059 0.161 0.000 0.914 254 L HN 0.655 nan 8.230 nan 0.000 0.439 255 E N -0.187 120.109 120.200 0.160 0.000 2.214 255 E HA 0.306 4.623 4.350 -0.055 0.000 0.274 255 E C -2.219 174.486 176.600 0.176 0.000 0.977 255 E CA -2.568 53.917 56.400 0.143 0.000 0.827 255 E CB 0.862 30.604 29.700 0.069 0.000 1.130 255 E HN -0.126 nan 8.360 nan 0.000 0.394 256 P HA 0.004 nan 4.420 nan 0.000 0.267 256 P C 0.594 178.022 177.300 0.213 0.000 1.209 256 P CA 0.237 63.485 63.100 0.247 0.000 0.763 256 P CB 0.566 32.284 31.700 0.030 0.000 0.816 257 S N 1.233 117.105 115.700 0.288 0.000 2.368 257 S HA -0.075 4.362 4.470 -0.055 0.000 0.224 257 S C 1.015 175.922 174.600 0.512 0.000 1.029 257 S CA 1.051 59.430 58.200 0.299 0.000 0.988 257 S CB -1.273 62.028 63.200 0.168 0.000 0.838 257 S HN 0.619 nan 8.310 nan 0.000 0.462 258 T N 0.178 115.086 114.554 0.591 0.000 2.810 258 T HA 0.411 4.728 4.350 -0.055 0.000 0.277 258 T C 1.588 176.514 174.700 0.377 0.000 0.973 258 T CA 0.039 62.534 62.100 0.659 0.000 0.949 258 T CB 0.744 69.998 68.868 0.644 0.000 1.075 258 T HN 0.347 nan 8.240 nan 0.000 0.537 259 T N -1.678 113.093 114.554 0.362 0.000 2.788 259 T HA -0.088 4.230 4.350 -0.055 0.000 0.268 259 T C 1.267 175.921 174.700 -0.077 0.000 1.044 259 T CA 0.868 63.051 62.100 0.139 0.000 1.139 259 T CB -1.142 67.829 68.868 0.171 0.000 0.867 259 T HN 1.328 nan 8.240 nan 0.000 0.454 260 V N 0.694 120.509 119.914 -0.164 0.000 5.961 260 V HA -0.161 3.926 4.120 -0.055 0.000 0.311 260 V C 1.003 176.958 176.094 -0.231 0.000 0.552 260 V CA 0.891 62.879 62.300 -0.520 0.000 0.641 260 V CB -2.733 28.418 31.823 -1.120 0.000 0.286 260 V HN 0.631 nan 8.190 nan 0.000 0.939 261 L N 0.262 121.448 121.223 -0.062 0.000 2.640 261 L HA 0.052 4.359 4.340 -0.055 0.000 0.230 261 L C 2.277 179.219 176.870 0.121 0.000 1.123 261 L CA 0.911 55.772 54.840 0.035 0.000 0.900 261 L CB 0.434 42.371 42.059 -0.204 0.000 1.146 261 L HN 0.750 nan 8.230 nan 0.000 0.484 262 S N 0.478 116.220 115.700 0.070 0.000 2.370 262 S HA -0.091 4.346 4.470 -0.055 0.000 0.226 262 S C -0.657 173.953 174.600 0.017 0.000 1.033 262 S CA 0.917 59.168 58.200 0.086 0.000 1.011 262 S CB -1.673 61.617 63.200 0.150 0.000 0.852 262 S HN 0.242 nan 8.310 nan 0.000 0.457 263 P HA 0.019 nan 4.420 nan 0.000 0.219 263 P C 0.768 177.943 177.300 -0.208 0.000 1.150 263 P CA 0.952 63.840 63.100 -0.354 0.000 0.814 263 P CB -0.242 30.975 31.700 -0.806 0.000 0.787 264 Y N -0.931 119.440 120.300 0.119 0.000 2.314 264 Y HA -0.010 4.509 4.550 -0.051 0.000 0.293 264 Y C 2.279 178.282 175.900 0.171 0.000 1.129 264 Y CA 0.694 58.933 58.100 0.232 0.000 1.201 264 Y CB -1.163 37.385 38.460 0.147 0.000 0.999 264 Y HN -0.161 nan 8.280 nan 0.000 0.541 265 L N 0.103 121.459 121.223 0.222 0.000 2.217 265 L HA -0.141 4.166 4.340 -0.055 0.000 0.211 265 L C 2.622 179.580 176.870 0.146 0.000 1.107 265 L CA 1.002 55.926 54.840 0.140 0.000 0.783 265 L CB -0.340 41.776 42.059 0.096 0.000 0.919 265 L HN 0.139 nan 8.230 nan 0.000 0.442 266 K N 0.831 121.313 120.400 0.136 0.000 2.007 266 K HA -0.158 4.129 4.320 -0.055 0.000 0.206 266 K C 1.979 178.656 176.600 0.129 0.000 1.047 266 K CA 1.727 58.079 56.287 0.109 0.000 0.937 266 K CB -0.276 32.176 32.500 -0.079 0.000 0.718 266 K HN 0.179 nan 8.250 nan 0.000 0.438 267 F N 0.331 120.380 119.950 0.164 0.000 2.661 267 F HA 0.089 4.606 4.527 -0.017 0.000 0.298 267 F C 1.426 177.365 175.800 0.231 0.000 1.137 267 F CA 0.952 59.067 58.000 0.192 0.000 1.454 267 F CB 0.256 39.385 39.000 0.216 0.000 1.103 267 F HN 0.454 nan 8.300 nan 0.000 0.577 268 G N -0.861 108.178 108.800 0.398 0.000 2.137 268 G HA2 -0.303 3.624 3.960 -0.055 0.000 0.237 268 G HA3 -0.303 3.624 3.960 -0.055 0.000 0.237 268 G C 0.892 175.939 174.900 0.246 0.000 1.002 268 G CA 0.209 45.498 45.100 0.314 0.000 0.702 268 G HN 0.407 nan 8.290 nan 0.000 0.515 269 C N -1.029 118.453 119.300 0.303 0.000 2.432 269 C HA 0.356 4.783 4.460 -0.055 0.000 0.280 269 C C 1.183 176.320 174.990 0.244 0.000 1.353 269 C CA 1.097 60.272 59.018 0.262 0.000 1.766 269 C CB -0.858 27.126 27.740 0.407 0.000 1.924 269 C HN 0.656 nan 8.230 nan 0.000 0.509 270 L N 0.237 121.613 121.223 0.254 0.000 2.365 270 L HA 0.484 4.791 4.340 -0.055 0.000 0.273 270 L C -0.006 176.986 176.870 0.203 0.000 1.000 270 L CA 0.013 55.002 54.840 0.248 0.000 0.819 270 L CB 1.412 43.535 42.059 0.107 0.000 1.284 270 L HN -0.050 nan 8.230 nan 0.000 0.418 271 S N 3.595 119.498 115.700 0.338 0.000 2.474 271 S HA 0.473 4.910 4.470 -0.055 0.000 0.276 271 S C 1.254 175.956 174.600 0.171 0.000 1.227 271 S CA 0.010 58.331 58.200 0.201 0.000 1.050 271 S CB 0.967 64.317 63.200 0.251 0.000 0.939 271 S HN 0.915 nan 8.310 nan 0.000 0.490 272 A N 5.802 128.680 122.820 0.096 0.000 2.172 272 A HA 0.004 4.291 4.320 -0.055 0.000 0.216 272 A C 2.161 179.807 177.584 0.103 0.000 1.154 272 A CA 0.767 52.877 52.037 0.121 0.000 0.701 272 A CB -0.206 18.803 19.000 0.016 0.000 0.789 272 A HN 0.934 nan 8.150 nan 0.000 0.465 273 R N -1.491 119.048 120.500 0.066 0.000 2.112 273 R HA 0.109 4.416 4.340 -0.055 0.000 0.216 273 R C 1.864 178.194 176.300 0.050 0.000 1.080 273 R CA 0.741 56.852 56.100 0.018 0.000 0.996 273 R CB -0.459 29.838 30.300 -0.005 0.000 0.902 273 R HN 0.421 nan 8.270 nan 0.000 0.449 274 L N 0.670 121.956 121.223 0.106 0.000 2.131 274 L HA -0.096 4.211 4.340 -0.055 0.000 0.210 274 L C 1.858 178.818 176.870 0.149 0.000 1.092 274 L CA 1.568 56.468 54.840 0.101 0.000 0.759 274 L CB -0.555 41.564 42.059 0.101 0.000 0.903 274 L HN 0.023 nan 8.230 nan 0.000 0.435 275 F N 0.288 120.234 119.950 -0.007 0.000 2.149 275 F HA -0.125 4.367 4.527 -0.059 0.000 0.294 275 F C 2.445 178.229 175.800 -0.026 0.000 1.095 275 F CA 1.636 59.626 58.000 -0.016 0.000 1.276 275 F CB -0.823 38.177 39.000 0.000 0.000 1.023 275 F HN 0.358 nan 8.300 nan 0.000 0.480 276 N N 0.039 118.706 118.700 -0.054 0.000 2.069 276 N HA -0.283 4.424 4.740 -0.055 0.000 0.191 276 N C 2.043 177.476 175.510 -0.129 0.000 1.031 276 N CA 1.436 54.390 53.050 -0.160 0.000 0.852 276 N CB -0.305 38.123 38.487 -0.098 0.000 1.018 276 N HN 0.493 nan 8.380 nan 0.000 0.423 277 Q N 0.475 120.237 119.800 -0.063 0.000 2.096 277 Q HA -0.135 4.172 4.340 -0.055 0.000 0.204 277 Q C 1.831 177.801 176.000 -0.051 0.000 0.982 277 Q CA 1.259 57.033 55.803 -0.048 0.000 0.850 277 Q CB 0.141 28.867 28.738 -0.019 0.000 0.901 277 Q HN 0.235 nan 8.270 nan 0.000 0.422 278 K N 0.241 120.622 120.400 -0.032 0.000 2.097 278 K HA -0.107 4.180 4.320 -0.055 0.000 0.206 278 K C 2.116 178.673 176.600 -0.072 0.000 1.049 278 K CA 0.807 57.081 56.287 -0.021 0.000 0.933 278 K CB -0.163 32.369 32.500 0.053 0.000 0.717 278 K HN 0.317 nan 8.250 nan 0.000 0.442 279 L N 0.873 121.999 121.223 -0.161 0.000 2.072 279 L HA -0.165 4.142 4.340 -0.055 0.000 0.205 279 L C 2.363 179.139 176.870 -0.157 0.000 1.079 279 L CA 1.276 55.989 54.840 -0.212 0.000 0.752 279 L CB -0.283 41.554 42.059 -0.371 0.000 0.906 279 L HN 0.123 nan 8.230 nan 0.000 0.436 280 K N -0.140 120.178 120.400 -0.137 0.000 2.063 280 K HA -0.219 4.068 4.320 -0.055 0.000 0.208 280 K C 2.028 178.568 176.600 -0.099 0.000 1.048 280 K CA 1.393 57.612 56.287 -0.114 0.000 0.928 280 K CB -0.121 32.327 32.500 -0.086 0.000 0.713 280 K HN 0.082 nan 8.250 nan 0.000 0.442 281 E N 0.871 121.026 120.200 -0.075 0.000 2.160 281 E HA -0.129 4.188 4.350 -0.055 0.000 0.195 281 E C 1.741 178.306 176.600 -0.057 0.000 0.991 281 E CA 0.983 57.350 56.400 -0.055 0.000 0.810 281 E CB -0.066 29.611 29.700 -0.038 0.000 0.742 281 E HN 0.299 nan 8.360 nan 0.000 0.466 282 I N -0.202 120.327 120.570 -0.068 0.000 2.400 282 I HA -0.168 3.969 4.170 -0.055 0.000 0.248 282 I C 1.709 177.772 176.117 -0.090 0.000 1.109 282 I CA 0.268 61.535 61.300 -0.055 0.000 1.425 282 I CB -0.048 37.930 38.000 -0.038 0.000 1.094 282 I HN 0.109 nan 8.210 nan 0.000 0.425 283 I N 1.164 121.639 120.570 -0.158 0.000 2.264 283 I HA -0.307 3.831 4.170 -0.055 0.000 0.248 283 I C 2.460 178.418 176.117 -0.265 0.000 1.111 283 I CA 1.608 62.725 61.300 -0.305 0.000 1.382 283 I CB -1.054 36.688 38.000 -0.430 0.000 1.060 283 I HN 0.292 nan 8.210 nan 0.000 0.418 284 K N 0.895 121.202 120.400 -0.155 0.000 2.211 284 K HA -0.116 4.171 4.320 -0.055 0.000 0.203 284 K C 2.037 178.612 176.600 -0.043 0.000 1.050 284 K CA 1.008 57.243 56.287 -0.088 0.000 0.945 284 K CB 0.097 32.559 32.500 -0.062 0.000 0.732 284 K HN 0.212 nan 8.250 nan 0.000 0.451 285 R N -0.197 120.280 120.500 -0.037 0.000 2.297 285 R HA 0.087 4.395 4.340 -0.055 0.000 0.197 285 R C 0.009 176.315 176.300 0.010 0.000 0.943 285 R CA 0.239 56.334 56.100 -0.008 0.000 1.038 285 R CB 0.514 30.811 30.300 -0.006 0.000 0.957 285 R HN 0.085 nan 8.270 nan 0.000 0.484 286 Q N 0.030 119.835 119.800 0.008 0.000 2.357 286 Q HA 0.200 4.507 4.340 -0.055 0.000 0.266 286 Q C -2.139 173.942 176.000 0.135 0.000 1.021 286 Q CA -1.991 53.845 55.803 0.055 0.000 0.784 286 Q CB 1.962 30.731 28.738 0.052 0.000 1.243 286 Q HN -0.044 nan 8.270 nan 0.000 0.465 287 P HA -0.128 nan 4.420 nan 0.000 0.213 287 P C -0.309 177.081 177.300 0.149 0.000 1.170 287 P CA 1.071 64.254 63.100 0.138 0.000 0.893 287 P CB 0.366 32.106 31.700 0.068 0.000 0.784 288 K N 0.469 120.923 120.400 0.089 0.000 2.363 288 K HA 0.175 4.462 4.320 -0.055 0.000 0.289 288 K C -0.039 176.633 176.600 0.119 0.000 1.063 288 K CA 0.138 56.449 56.287 0.041 0.000 0.967 288 K CB -0.442 32.077 32.500 0.031 0.000 0.987 288 K HN 0.471 nan 8.250 nan 0.000 0.473 289 H N -1.024 118.052 119.070 0.010 0.000 3.064 289 H HA 0.346 4.869 4.556 -0.055 0.000 0.352 289 H C -0.799 174.536 175.328 0.011 0.000 1.260 289 H CA -1.148 54.905 56.048 0.009 0.000 1.160 289 H CB 0.725 30.491 29.762 0.006 0.000 1.879 289 H HN 0.385 nan 8.280 nan 0.000 0.544 290 S N 1.861 117.641 115.700 0.133 0.000 2.624 290 S HA 0.457 4.894 4.470 -0.055 0.000 0.263 290 S C -0.354 174.351 174.600 0.175 0.000 1.287 290 S CA -0.820 57.433 58.200 0.089 0.000 0.990 290 S CB 1.137 64.385 63.200 0.082 0.000 0.950 290 S HN 0.781 nan 8.310 nan 0.000 0.561 291 Q N -0.608 119.262 119.800 0.117 0.000 2.605 291 Q HA 0.510 4.817 4.340 -0.055 0.000 0.296 291 Q C -3.006 173.074 176.000 0.134 0.000 1.056 291 Q CA -2.390 53.492 55.803 0.132 0.000 0.778 291 Q CB 0.884 29.677 28.738 0.092 0.000 1.497 291 Q HN 0.378 nan 8.270 nan 0.000 0.443 292 P HA 0.062 nan 4.420 nan 0.000 0.272 292 P C -1.883 175.551 177.300 0.222 0.000 1.223 292 P CA -0.729 62.496 63.100 0.209 0.000 0.784 292 P CB 0.277 32.103 31.700 0.210 0.000 0.923 293 P HA 0.001 nan 4.420 nan 0.000 0.261 293 P C 0.995 178.460 177.300 0.275 0.000 1.268 293 P CA 0.380 63.627 63.100 0.246 0.000 0.833 293 P CB 0.059 31.789 31.700 0.050 0.000 1.231 294 V N -1.666 118.361 119.914 0.187 0.000 2.809 294 V HA -0.035 4.052 4.120 -0.055 0.000 0.256 294 V C 1.324 177.545 176.094 0.211 0.000 1.080 294 V CA 0.884 63.268 62.300 0.141 0.000 1.102 294 V CB -1.748 30.115 31.823 0.067 0.000 0.705 294 V HN 0.177 nan 8.190 nan 0.000 0.475 295 S N -0.340 115.491 115.700 0.219 0.000 2.617 295 S HA 0.327 4.764 4.470 -0.055 0.000 0.259 295 S C 0.959 175.690 174.600 0.218 0.000 1.301 295 S CA -0.043 58.303 58.200 0.243 0.000 0.984 295 S CB 1.304 64.595 63.200 0.151 0.000 0.954 295 S HN 0.320 nan 8.310 nan 0.000 0.572 296 L N 0.131 121.356 121.223 0.003 0.000 2.109 296 L HA 0.041 4.348 4.340 -0.055 0.000 0.207 296 L C 2.230 178.977 176.870 -0.205 0.000 1.086 296 L CA 0.995 55.604 54.840 -0.384 0.000 0.760 296 L CB -0.384 41.264 42.059 -0.685 0.000 0.910 296 L HN 0.740 nan 8.230 nan 0.000 0.437 297 I N -0.761 119.730 120.570 -0.133 0.000 2.252 297 I HA -0.207 3.930 4.170 -0.055 0.000 0.245 297 I C 2.568 178.707 176.117 0.037 0.000 1.102 297 I CA 1.174 62.419 61.300 -0.091 0.000 1.385 297 I CB -0.950 37.004 38.000 -0.076 0.000 1.064 297 I HN 0.299 nan 8.210 nan 0.000 0.414 298 G N 0.686 109.550 108.800 0.107 0.000 2.513 298 G HA2 -0.279 3.648 3.960 -0.055 0.000 0.219 298 G HA3 -0.279 3.648 3.960 -0.055 0.000 0.219 298 G C 1.534 176.623 174.900 0.314 0.000 1.160 298 G CA 0.618 45.848 45.100 0.217 0.000 0.767 298 G HN 0.313 nan 8.290 nan 0.000 0.571 299 Q N -0.276 119.700 119.800 0.293 0.000 2.124 299 Q HA -0.009 4.298 4.340 -0.055 0.000 0.202 299 Q C 2.595 178.767 176.000 0.288 0.000 0.977 299 Q CA 0.651 56.646 55.803 0.320 0.000 0.850 299 Q CB -0.671 28.160 28.738 0.154 0.000 0.901 299 Q HN 0.445 nan 8.270 nan 0.000 0.429 300 L N -0.054 121.279 121.223 0.184 0.000 2.156 300 L HA -0.048 4.259 4.340 -0.055 0.000 0.208 300 L C 2.016 179.018 176.870 0.220 0.000 1.095 300 L CA 1.282 56.227 54.840 0.176 0.000 0.770 300 L CB -0.372 41.727 42.059 0.068 0.000 0.914 300 L HN 0.152 nan 8.230 nan 0.000 0.439 301 M N -2.911 116.819 119.600 0.216 0.000 2.319 301 M HA -0.170 4.277 4.480 -0.055 0.000 0.265 301 M C 2.097 178.530 176.300 0.220 0.000 1.068 301 M CA 1.078 56.519 55.300 0.235 0.000 1.118 301 M CB -1.279 31.404 32.600 0.139 0.000 1.395 301 M HN 0.309 nan 8.290 nan 0.000 0.435 302 W N 0.743 122.203 121.300 0.266 0.000 2.388 302 W HA -0.137 4.482 4.660 -0.069 0.000 0.294 302 W C 2.732 179.345 176.519 0.156 0.000 1.212 302 W CA 1.021 58.433 57.345 0.112 0.000 1.271 302 W CB -0.343 29.093 29.460 -0.040 0.000 1.126 302 W HN 0.227 nan 8.180 nan 0.000 0.535 303 R N 0.826 121.600 120.500 0.456 0.000 2.081 303 R HA -0.165 4.143 4.340 -0.055 0.000 0.235 303 R C 1.947 178.495 176.300 0.413 0.000 1.131 303 R CA 1.681 58.045 56.100 0.440 0.000 0.960 303 R CB -0.259 30.245 30.300 0.341 0.000 0.856 303 R HN 0.056 nan 8.270 nan 0.000 0.436 304 E N 0.060 120.438 120.200 0.297 0.000 2.106 304 E HA -0.202 4.116 4.350 -0.055 0.000 0.192 304 E C 1.717 178.298 176.600 -0.032 0.000 0.984 304 E CA 0.951 57.514 56.400 0.273 0.000 0.806 304 E CB -0.363 29.618 29.700 0.468 0.000 0.750 304 E HN 0.343 nan 8.360 nan 0.000 0.458 305 F N 1.176 120.765 119.950 -0.602 0.000 2.069 305 F HA -0.286 4.209 4.527 -0.053 0.000 0.298 305 F C 2.113 177.586 175.800 -0.545 0.000 1.113 305 F CA 1.488 58.786 58.000 -1.169 0.000 1.214 305 F CB -0.499 37.907 39.000 -0.991 0.000 0.978 305 F HN -0.063 nan 8.300 nan 0.000 0.474 306 Y N -1.134 119.015 120.300 -0.251 0.000 2.242 306 Y HA -0.191 4.352 4.550 -0.012 0.000 0.291 306 Y C 2.376 178.010 175.900 -0.444 0.000 1.137 306 Y CA 1.558 59.433 58.100 -0.375 0.000 1.181 306 Y CB -1.337 37.067 38.460 -0.094 0.000 0.989 306 Y HN 0.153 nan 8.280 nan 0.000 0.527 307 Y N -0.236 120.018 120.300 -0.076 0.000 2.293 307 Y HA -0.236 4.380 4.550 0.110 0.000 0.291 307 Y C 2.483 178.314 175.900 -0.115 0.000 1.137 307 Y CA 1.920 59.993 58.100 -0.045 0.000 1.202 307 Y CB -0.454 38.061 38.460 0.092 0.000 0.990 307 Y HN 0.037 nan 8.280 nan 0.000 0.537 308 T N -0.578 113.953 114.554 -0.038 0.000 2.732 308 T HA -0.174 4.143 4.350 -0.055 0.000 0.261 308 T C 2.117 176.718 174.700 -0.164 0.000 1.040 308 T CA 1.837 63.915 62.100 -0.036 0.000 1.145 308 T CB -0.871 68.008 68.868 0.018 0.000 0.866 308 T HN 0.305 nan 8.240 nan 0.000 0.427 309 V N 1.119 120.780 119.914 -0.423 0.000 2.490 309 V HA -0.018 4.069 4.120 -0.055 0.000 0.250 309 V C 2.658 178.436 176.094 -0.527 0.000 1.061 309 V CA 1.438 63.483 62.300 -0.425 0.000 1.064 309 V CB -1.621 29.786 31.823 -0.694 0.000 0.670 309 V HN 0.443 nan 8.190 nan 0.000 0.461 310 A N 0.607 122.852 122.820 -0.960 0.000 1.968 310 A HA 0.234 4.521 4.320 -0.055 0.000 0.217 310 A C 2.429 179.895 177.584 -0.197 0.000 1.169 310 A CA 1.735 53.016 52.037 -1.260 0.000 0.638 310 A CB -0.825 17.310 19.000 -1.442 0.000 0.812 310 A HN 0.881 nan 8.150 nan 0.000 0.446 311 A N -0.299 122.493 122.820 -0.046 0.000 2.015 311 A HA 0.257 4.544 4.320 -0.055 0.000 0.219 311 A C 2.226 179.895 177.584 0.143 0.000 1.163 311 A CA 1.632 53.740 52.037 0.119 0.000 0.646 311 A CB -0.600 18.474 19.000 0.124 0.000 0.806 311 A HN 0.995 nan 8.150 nan 0.000 0.448 312 A N -1.296 121.615 122.820 0.151 0.000 2.218 312 A HA 0.317 4.604 4.320 -0.055 0.000 0.209 312 A C 0.669 178.398 177.584 0.241 0.000 1.168 312 A CA 0.967 53.120 52.037 0.193 0.000 0.804 312 A CB -0.011 19.125 19.000 0.227 0.000 0.834 312 A HN 0.361 nan 8.150 nan 0.000 0.482 313 E N -0.363 120.026 120.200 0.315 0.000 2.409 313 E HA 0.313 4.630 4.350 -0.055 0.000 0.259 313 E C -2.347 174.528 176.600 0.458 0.000 0.932 313 E CA -1.927 54.711 56.400 0.397 0.000 0.809 313 E CB 1.517 31.609 29.700 0.653 0.000 1.341 313 E HN 0.004 nan 8.360 nan 0.000 0.405 314 P HA -0.081 nan 4.420 nan 0.000 0.220 314 P C 0.033 177.603 177.300 0.450 0.000 1.148 314 P CA 0.684 64.002 63.100 0.365 0.000 0.803 314 P CB 0.331 32.154 31.700 0.204 0.000 0.782 315 N N -0.676 118.253 118.700 0.382 0.000 2.410 315 N HA 0.042 4.749 4.740 -0.055 0.000 0.231 315 N C 0.728 176.483 175.510 0.408 0.000 1.172 315 N CA -0.200 53.056 53.050 0.344 0.000 0.849 315 N CB -0.998 37.626 38.487 0.228 0.000 1.116 315 N HN 0.082 nan 8.380 nan 0.000 0.485 316 F N 1.837 121.993 119.950 0.343 0.000 2.365 316 F HA -0.109 4.331 4.527 -0.145 0.000 0.300 316 F C 1.129 177.013 175.800 0.139 0.000 1.090 316 F CA 0.879 58.985 58.000 0.177 0.000 1.408 316 F CB 0.347 39.285 39.000 -0.103 0.000 1.060 316 F HN 0.076 nan 8.300 nan 0.000 0.534 317 D N -0.594 119.977 120.400 0.286 0.000 2.525 317 D HA 0.166 4.773 4.640 -0.055 0.000 0.229 317 D C 0.043 176.457 176.300 0.190 0.000 1.202 317 D CA -0.068 54.086 54.000 0.256 0.000 0.828 317 D CB -0.178 40.832 40.800 0.350 0.000 1.008 317 D HN 0.202 nan 8.370 nan 0.000 0.493 318 R N -0.559 120.079 120.500 0.230 0.000 2.680 318 R HA 0.335 4.642 4.340 -0.055 0.000 0.269 318 R C 0.566 176.958 176.300 0.154 0.000 1.026 318 R CA -0.649 55.429 56.100 -0.037 0.000 0.889 318 R CB 1.821 32.134 30.300 0.022 0.000 1.241 318 R HN -0.061 nan 8.270 nan 0.000 0.463 319 M N 1.155 120.752 119.600 -0.005 0.000 2.160 319 M HA 0.085 4.532 4.480 -0.055 0.000 0.264 319 M C 0.044 176.423 176.300 0.130 0.000 1.073 319 M CA 1.426 56.854 55.300 0.214 0.000 1.142 319 M CB 0.294 32.983 32.600 0.148 0.000 1.358 319 M HN 0.350 nan 8.290 nan 0.000 0.422 320 L N 1.367 122.622 121.223 0.053 0.000 2.361 320 L HA 0.286 4.593 4.340 -0.055 0.000 0.278 320 L C 0.947 177.857 176.870 0.066 0.000 1.113 320 L CA 1.174 56.041 54.840 0.045 0.000 0.849 320 L CB 0.425 42.492 42.059 0.013 0.000 1.155 320 L HN 0.653 nan 8.230 nan 0.000 0.452 321 G N 2.649 111.487 108.800 0.064 0.000 2.159 321 G HA2 -0.293 3.634 3.960 -0.055 0.000 0.256 321 G HA3 -0.293 3.634 3.960 -0.055 0.000 0.256 321 G C 0.417 175.375 174.900 0.096 0.000 0.977 321 G CA 0.129 45.272 45.100 0.070 0.000 0.652 321 G HN 0.663 nan 8.290 nan 0.000 0.531 322 N N 0.416 119.183 118.700 0.113 0.000 2.414 322 N HA 0.385 5.092 4.740 -0.055 0.000 0.256 322 N C 1.530 177.084 175.510 0.074 0.000 1.029 322 N CA 0.446 53.585 53.050 0.148 0.000 0.948 322 N CB 1.679 40.283 38.487 0.195 0.000 1.102 322 N HN 0.413 nan 8.380 nan 0.000 0.496 323 V N 6.096 126.009 119.914 -0.000 0.000 2.343 323 V HA -0.216 3.871 4.120 -0.055 0.000 0.247 323 V C 1.065 177.059 176.094 -0.167 0.000 1.051 323 V CA 1.645 63.857 62.300 -0.146 0.000 1.036 323 V CB -0.723 30.913 31.823 -0.313 0.000 0.654 323 V HN 0.666 nan 8.190 nan 0.000 0.451 324 Y N 0.338 120.658 120.300 0.034 0.000 2.200 324 Y HA 0.048 4.573 4.550 -0.042 0.000 0.290 324 Y C 2.103 177.912 175.900 -0.151 0.000 1.137 324 Y CA 1.049 59.106 58.100 -0.072 0.000 1.163 324 Y CB -1.158 37.249 38.460 -0.089 0.000 0.988 324 Y HN 0.363 nan 8.280 nan 0.000 0.518 325 C N 1.794 121.133 119.300 0.065 0.000 2.662 325 C HA 0.272 4.699 4.460 -0.055 0.000 0.420 325 C C 0.701 175.699 174.990 0.014 0.000 1.314 325 C CA -1.145 57.884 59.018 0.019 0.000 1.963 325 C CB -0.970 26.840 27.740 0.118 0.000 2.686 325 C HN 0.355 nan 8.230 nan 0.000 0.609 326 M N 4.810 124.408 119.600 -0.003 0.000 2.233 326 M HA 0.231 4.678 4.480 -0.055 0.000 0.350 326 M C -0.005 176.311 176.300 0.027 0.000 1.176 326 M CA 0.798 56.077 55.300 -0.035 0.000 1.150 326 M CB 0.701 33.254 32.600 -0.079 0.000 1.530 326 M HN 0.610 nan 8.290 nan 0.000 0.459 327 Q N 5.817 125.604 119.800 -0.020 0.000 2.377 327 Q HA 0.441 4.748 4.340 -0.055 0.000 0.249 327 Q C -1.132 174.811 176.000 -0.095 0.000 1.005 327 Q CA 0.249 56.039 55.803 -0.021 0.000 0.912 327 Q CB 0.198 28.921 28.738 -0.024 0.000 1.223 327 Q HN 0.683 nan 8.270 nan 0.000 0.459 328 I N 4.691 125.138 120.570 -0.204 0.000 2.465 328 I HA 0.255 4.392 4.170 -0.055 0.000 0.291 328 I C -1.988 173.776 176.117 -0.588 0.000 1.014 328 I CA -2.311 58.690 61.300 -0.500 0.000 1.093 328 I CB 2.558 39.966 38.000 -0.988 0.000 1.267 328 I HN 0.232 nan 8.210 nan 0.000 0.431 329 P HA -0.003 nan 4.420 nan 0.000 0.241 329 P C -0.850 176.445 177.300 -0.007 0.000 1.760 329 P CA -0.077 62.958 63.100 -0.109 0.000 1.081 329 P CB -0.606 31.099 31.700 0.010 0.000 1.975 330 W N 1.514 122.779 121.300 -0.059 0.000 2.158 330 W HA 0.179 4.809 4.660 -0.050 0.000 0.339 330 W C 0.894 177.370 176.519 -0.072 0.000 1.294 330 W CA -0.493 56.707 57.345 -0.241 0.000 1.231 330 W CB 0.381 29.624 29.460 -0.362 0.000 1.143 330 W HN 0.240 nan 8.180 nan 0.000 0.571 331 Q N 1.512 121.448 119.800 0.227 0.000 2.345 331 Q HA 0.202 4.509 4.340 -0.055 0.000 0.268 331 Q C -0.431 175.425 176.000 -0.239 0.000 1.054 331 Q CA -1.095 54.705 55.803 -0.006 0.000 0.835 331 Q CB 1.956 30.684 28.738 -0.017 0.000 1.339 331 Q HN 0.311 nan 8.270 nan 0.000 0.447 332 E N 2.230 122.277 120.200 -0.255 0.000 2.290 332 E HA 0.081 4.399 4.350 -0.055 0.000 0.277 332 E C -0.637 175.776 176.600 -0.310 0.000 1.035 332 E CA 0.231 56.504 56.400 -0.211 0.000 0.873 332 E CB 0.517 30.156 29.700 -0.102 0.000 1.029 332 E HN 0.455 nan 8.360 nan 0.000 0.419 333 H N 3.154 122.258 119.070 0.056 0.000 2.490 333 H HA 0.175 4.698 4.556 -0.055 0.000 0.230 333 H C -1.892 173.461 175.328 0.040 0.000 1.417 333 H CA -2.101 53.986 56.048 0.065 0.000 1.449 333 H CB 0.794 30.678 29.762 0.204 0.000 1.649 333 H HN 0.253 nan 8.280 nan 0.000 0.519 334 P HA -0.202 nan 4.420 nan 0.000 0.216 334 P C 1.260 178.611 177.300 0.086 0.000 1.167 334 P CA 1.450 64.592 63.100 0.070 0.000 0.914 334 P CB 0.590 32.312 31.700 0.037 0.000 0.793 335 D N -2.221 118.200 120.400 0.034 0.000 2.123 335 D HA -0.178 4.429 4.640 -0.055 0.000 0.196 335 D C 1.932 178.305 176.300 0.122 0.000 0.992 335 D CA 1.193 55.209 54.000 0.028 0.000 0.833 335 D CB -0.886 39.872 40.800 -0.070 0.000 0.954 335 D HN 0.300 nan 8.370 nan 0.000 0.455 336 H N 0.060 119.214 119.070 0.140 0.000 2.353 336 H HA -0.053 4.469 4.556 -0.056 0.000 0.300 336 H C 2.172 177.630 175.328 0.215 0.000 1.090 336 H CA 0.482 56.631 56.048 0.169 0.000 1.327 336 H CB -0.547 29.296 29.762 0.135 0.000 1.383 336 H HN 0.112 nan 8.280 nan 0.000 0.508 337 L N 1.196 122.597 121.223 0.296 0.000 2.046 337 L HA -0.121 4.186 4.340 -0.055 0.000 0.208 337 L C 2.371 179.422 176.870 0.301 0.000 1.077 337 L CA 1.799 56.778 54.840 0.231 0.000 0.747 337 L CB -0.440 41.685 42.059 0.110 0.000 0.896 337 L HN 0.082 nan 8.230 nan 0.000 0.432 338 E N -0.295 120.058 120.200 0.254 0.000 2.106 338 E HA -0.138 4.179 4.350 -0.055 0.000 0.192 338 E C 2.103 178.905 176.600 0.337 0.000 0.984 338 E CA 1.367 57.935 56.400 0.279 0.000 0.806 338 E CB -0.296 29.522 29.700 0.196 0.000 0.750 338 E HN 0.519 nan 8.360 nan 0.000 0.458 339 A N -0.042 122.960 122.820 0.303 0.000 1.902 339 A HA -0.165 4.122 4.320 -0.055 0.000 0.217 339 A C 2.156 179.924 177.584 0.306 0.000 1.181 339 A CA 1.536 53.741 52.037 0.280 0.000 0.623 339 A CB -1.318 17.853 19.000 0.286 0.000 0.818 339 A HN 0.638 nan 8.150 nan 0.000 0.443 340 W N 1.130 122.537 121.300 0.179 0.000 2.388 340 W HA -0.127 4.493 4.660 -0.065 0.000 0.294 340 W C 2.085 178.651 176.519 0.079 0.000 1.212 340 W CA 2.254 59.687 57.345 0.147 0.000 1.271 340 W CB -0.371 29.215 29.460 0.209 0.000 1.126 340 W HN 0.272 nan 8.180 nan 0.000 0.535 341 T N -0.758 113.976 114.554 0.299 0.000 2.833 341 T HA -0.238 4.079 4.350 -0.055 0.000 0.269 341 T C 0.601 175.069 174.700 -0.387 0.000 1.054 341 T CA 1.941 64.007 62.100 -0.056 0.000 1.135 341 T CB -0.450 68.402 68.868 -0.026 0.000 0.869 341 T HN 0.264 nan 8.240 nan 0.000 0.466 342 H N -0.599 118.464 119.070 -0.012 0.000 2.594 342 H HA 0.445 4.970 4.556 -0.051 0.000 0.279 342 H C 1.325 176.618 175.328 -0.059 0.000 1.042 342 H CA 0.023 56.050 56.048 -0.034 0.000 1.177 342 H CB 0.290 30.057 29.762 0.009 0.000 1.524 342 H HN 0.367 nan 8.280 nan 0.000 0.537 343 G N 1.708 110.482 108.800 -0.042 0.000 2.298 343 G HA2 -0.338 3.589 3.960 -0.055 0.000 0.287 343 G HA3 -0.338 3.589 3.960 -0.055 0.000 0.287 343 G C 0.454 175.362 174.900 0.014 0.000 1.075 343 G CA -0.011 45.046 45.100 -0.072 0.000 0.960 343 G HN 0.497 nan 8.290 nan 0.000 0.502 344 R N -0.404 120.119 120.500 0.039 0.000 2.690 344 R HA 0.185 4.492 4.340 -0.055 0.000 0.419 344 R C 2.149 178.458 176.300 0.015 0.000 1.090 344 R CA 0.472 56.564 56.100 -0.013 0.000 1.064 344 R CB 0.081 30.383 30.300 0.004 0.000 1.391 344 R HN 0.459 nan 8.270 nan 0.000 0.586 345 T N -2.910 111.696 114.554 0.087 0.000 2.881 345 T HA -0.038 4.279 4.350 -0.055 0.000 0.270 345 T C 1.625 176.448 174.700 0.205 0.000 1.068 345 T CA 1.425 63.653 62.100 0.215 0.000 1.131 345 T CB 0.096 69.081 68.868 0.194 0.000 0.871 345 T HN 0.434 nan 8.240 nan 0.000 0.479 346 G N -0.159 108.675 108.800 0.057 0.000 2.179 346 G HA2 -0.199 3.728 3.960 -0.055 0.000 0.220 346 G HA3 -0.199 3.728 3.960 -0.055 0.000 0.220 346 G C -0.165 174.864 174.900 0.215 0.000 0.990 346 G CA -0.102 45.000 45.100 0.003 0.000 0.646 346 G HN 0.617 nan 8.290 nan 0.000 0.517 347 Y N 0.459 120.934 120.300 0.292 0.000 2.342 347 Y HA 0.464 4.982 4.550 -0.053 0.000 0.338 347 Y C -1.212 174.855 175.900 0.278 0.000 0.965 347 Y CA -1.930 56.386 58.100 0.360 0.000 1.159 347 Y CB 2.091 40.680 38.460 0.216 0.000 1.157 347 Y HN -0.052 nan 8.280 nan 0.000 0.486 348 P HA -0.210 nan 4.420 nan 0.000 0.217 348 P C 1.618 179.010 177.300 0.154 0.000 1.150 348 P CA 1.274 64.465 63.100 0.151 0.000 0.832 348 P CB 0.107 31.743 31.700 -0.107 0.000 0.787 349 F N 0.335 120.352 119.950 0.112 0.000 2.113 349 F HA -0.157 4.337 4.527 -0.054 0.000 0.297 349 F C 1.928 177.803 175.800 0.125 0.000 1.103 349 F CA 1.378 59.471 58.000 0.155 0.000 1.248 349 F CB -0.762 38.427 39.000 0.315 0.000 0.999 349 F HN -0.258 nan 8.300 nan 0.000 0.475 350 I N 0.543 121.110 120.570 -0.006 0.000 2.226 350 I HA -0.254 3.883 4.170 -0.055 0.000 0.245 350 I C 2.023 178.001 176.117 -0.233 0.000 1.100 350 I CA 1.388 62.545 61.300 -0.239 0.000 1.374 350 I CB -1.454 36.332 38.000 -0.357 0.000 1.057 350 I HN 0.144 nan 8.210 nan 0.000 0.413 351 D N 1.177 121.530 120.400 -0.079 0.000 2.117 351 D HA -0.098 4.509 4.640 -0.055 0.000 0.197 351 D C 2.308 178.542 176.300 -0.111 0.000 0.987 351 D CA 1.534 55.501 54.000 -0.055 0.000 0.829 351 D CB -0.121 40.751 40.800 0.119 0.000 0.961 351 D HN 0.267 nan 8.370 nan 0.000 0.460 352 A N 0.932 123.688 122.820 -0.107 0.000 1.892 352 A HA -0.212 4.075 4.320 -0.055 0.000 0.218 352 A C 2.391 179.771 177.584 -0.341 0.000 1.188 352 A CA 1.306 53.229 52.037 -0.189 0.000 0.631 352 A CB -0.841 18.068 19.000 -0.153 0.000 0.822 352 A HN 0.235 nan 8.150 nan 0.000 0.447 353 I N -1.075 119.330 120.570 -0.276 0.000 2.202 353 I HA -0.246 3.891 4.170 -0.055 0.000 0.242 353 I C 2.570 178.475 176.117 -0.353 0.000 1.091 353 I CA 1.124 62.254 61.300 -0.284 0.000 1.368 353 I CB -0.333 37.453 38.000 -0.356 0.000 1.058 353 I HN 0.250 nan 8.210 nan 0.000 0.410 354 M N 0.230 119.612 119.600 -0.364 0.000 2.213 354 M HA -0.160 4.287 4.480 -0.055 0.000 0.263 354 M C 2.347 178.461 176.300 -0.309 0.000 1.062 354 M CA 1.697 56.757 55.300 -0.401 0.000 1.105 354 M CB -1.181 31.133 32.600 -0.478 0.000 1.385 354 M HN 0.203 nan 8.290 nan 0.000 0.417 355 R N -0.516 119.833 120.500 -0.252 0.000 2.073 355 R HA -0.122 4.185 4.340 -0.055 0.000 0.229 355 R C 2.235 178.405 176.300 -0.218 0.000 1.120 355 R CA 1.146 57.148 56.100 -0.163 0.000 0.967 355 R CB -0.383 29.882 30.300 -0.058 0.000 0.862 355 R HN 0.483 nan 8.270 nan 0.000 0.436 356 Q N 0.900 120.404 119.800 -0.493 0.000 2.096 356 Q HA -0.207 4.100 4.340 -0.055 0.000 0.204 356 Q C 2.099 177.941 176.000 -0.263 0.000 0.982 356 Q CA 1.461 56.898 55.803 -0.610 0.000 0.850 356 Q CB -0.054 28.119 28.738 -0.942 0.000 0.901 356 Q HN 0.198 nan 8.270 nan 0.000 0.422 357 L N 0.963 122.013 121.223 -0.288 0.000 1.989 357 L HA -0.209 4.098 4.340 -0.055 0.000 0.211 357 L C 2.485 179.254 176.870 -0.168 0.000 1.071 357 L CA 2.205 56.887 54.840 -0.263 0.000 0.749 357 L CB -0.670 41.147 42.059 -0.404 0.000 0.890 357 L HN 0.165 nan 8.230 nan 0.000 0.431 358 R N -1.065 119.340 120.500 -0.159 0.000 2.073 358 R HA -0.178 4.129 4.340 -0.055 0.000 0.234 358 R C 2.282 178.572 176.300 -0.017 0.000 1.134 358 R CA 1.942 57.990 56.100 -0.086 0.000 0.952 358 R CB -0.225 30.026 30.300 -0.081 0.000 0.850 358 R HN 0.607 nan 8.270 nan 0.000 0.433 359 Q N -0.341 119.458 119.800 -0.002 0.000 2.079 359 Q HA -0.153 4.154 4.340 -0.055 0.000 0.200 359 Q C 1.594 177.643 176.000 0.083 0.000 0.974 359 Q CA 1.788 57.624 55.803 0.054 0.000 0.840 359 Q CB 0.136 28.931 28.738 0.096 0.000 0.898 359 Q HN 0.529 nan 8.270 nan 0.000 0.430 360 E N -1.383 118.874 120.200 0.096 0.000 2.413 360 E HA 0.133 4.450 4.350 -0.055 0.000 0.203 360 E C 0.915 177.656 176.600 0.234 0.000 0.957 360 E CA 0.395 56.901 56.400 0.176 0.000 0.950 360 E CB 0.899 30.745 29.700 0.244 0.000 0.957 360 E HN 0.438 nan 8.360 nan 0.000 0.497 361 G N 1.324 110.207 108.800 0.138 0.000 2.176 361 G HA2 -0.273 3.654 3.960 -0.055 0.000 0.253 361 G HA3 -0.273 3.654 3.960 -0.055 0.000 0.253 361 G C -0.496 174.488 174.900 0.140 0.000 0.979 361 G CA 0.371 45.533 45.100 0.103 0.000 0.641 361 G HN 0.275 nan 8.290 nan 0.000 0.530 362 W N 0.912 122.207 121.300 -0.008 0.000 3.129 362 W HA 0.678 5.301 4.660 -0.061 0.000 0.333 362 W C -0.597 175.897 176.519 -0.041 0.000 1.141 362 W CA -1.026 56.275 57.345 -0.072 0.000 1.224 362 W CB 1.005 30.380 29.460 -0.142 0.000 1.393 362 W HN 0.508 nan 8.180 nan 0.000 0.499 363 I N 1.892 121.865 120.570 -0.996 0.000 2.865 363 I HA 0.407 4.544 4.170 -0.055 0.000 0.302 363 I C -0.229 174.903 176.117 -1.641 0.000 1.140 363 I CA -1.312 59.396 61.300 -0.987 0.000 1.021 363 I CB 1.966 39.639 38.000 -0.545 0.000 1.233 363 I HN 0.487 nan 8.210 nan 0.000 0.427 364 H N 2.758 121.118 119.070 -1.184 0.000 2.852 364 H HA -0.005 4.522 4.556 -0.049 0.000 0.362 364 H C 0.484 175.581 175.328 -0.383 0.000 1.122 364 H CA 0.996 56.635 56.048 -0.681 0.000 1.419 364 H CB 0.944 30.601 29.762 -0.176 0.000 1.401 364 H HN 0.935 nan 8.280 nan 0.000 0.609 365 H N 3.730 122.255 119.070 -0.909 0.000 2.352 365 H HA -0.116 4.402 4.556 -0.064 0.000 0.299 365 H C 2.080 177.242 175.328 -0.277 0.000 1.097 365 H CA 2.158 57.891 56.048 -0.525 0.000 1.311 365 H CB 0.071 29.529 29.762 -0.506 0.000 1.377 365 H HN 0.597 nan 8.280 nan 0.000 0.504 366 L N -0.364 120.786 121.223 -0.123 0.000 2.083 366 L HA -0.135 4.172 4.340 -0.055 0.000 0.209 366 L C 2.815 179.718 176.870 0.055 0.000 1.083 366 L CA 0.887 55.731 54.840 0.007 0.000 0.752 366 L CB -0.662 41.599 42.059 0.337 0.000 0.899 366 L HN 0.467 nan 8.230 nan 0.000 0.433 367 A N 0.251 123.100 122.820 0.049 0.000 1.902 367 A HA -0.207 4.080 4.320 -0.055 0.000 0.217 367 A C 2.353 179.845 177.584 -0.153 0.000 1.181 367 A CA 1.398 53.394 52.037 -0.068 0.000 0.623 367 A CB -0.451 18.442 19.000 -0.178 0.000 0.818 367 A HN 0.331 nan 8.150 nan 0.000 0.443 368 R N -1.284 119.087 120.500 -0.216 0.000 2.105 368 R HA -0.130 4.178 4.340 -0.055 0.000 0.239 368 R C 2.132 178.239 176.300 -0.322 0.000 1.135 368 R CA 1.405 57.392 56.100 -0.189 0.000 0.967 368 R CB -0.578 29.584 30.300 -0.231 0.000 0.861 368 R HN 0.709 nan 8.270 nan 0.000 0.442 369 H N 0.174 118.911 119.070 -0.556 0.000 2.293 369 H HA -0.084 4.439 4.556 -0.054 0.000 0.300 369 H C 2.218 177.162 175.328 -0.640 0.000 1.082 369 H CA 1.449 57.074 56.048 -0.706 0.000 1.308 369 H CB -0.002 29.214 29.762 -0.910 0.000 1.375 369 H HN 0.293 nan 8.280 nan 0.000 0.495 370 A N 0.932 123.535 122.820 -0.362 0.000 1.892 370 A HA -0.201 4.086 4.320 -0.055 0.000 0.218 370 A C 2.731 180.319 177.584 0.006 0.000 1.188 370 A CA 2.669 54.608 52.037 -0.163 0.000 0.631 370 A CB -1.058 18.055 19.000 0.189 0.000 0.822 370 A HN 0.360 nan 8.150 nan 0.000 0.447 371 V N -2.828 117.097 119.914 0.018 0.000 2.488 371 V HA 0.110 4.197 4.120 -0.055 0.000 0.246 371 V C 2.539 178.897 176.094 0.441 0.000 1.046 371 V CA 1.604 64.059 62.300 0.259 0.000 1.053 371 V CB -1.358 30.576 31.823 0.185 0.000 0.679 371 V HN 0.517 nan 8.190 nan 0.000 0.458 372 A N -0.439 122.392 122.820 0.018 0.000 1.897 372 A HA -0.189 4.098 4.320 -0.055 0.000 0.215 372 A C 2.423 179.967 177.584 -0.067 0.000 1.181 372 A CA 1.793 53.662 52.037 -0.279 0.000 0.620 372 A CB -1.304 17.018 19.000 -1.130 0.000 0.821 372 A HN 0.660 nan 8.150 nan 0.000 0.443 373 C N -1.388 117.872 119.300 -0.068 0.000 2.432 373 C HA -0.126 4.301 4.460 -0.055 0.000 0.277 373 C C 2.451 177.547 174.990 0.177 0.000 1.249 373 C CA 1.250 60.315 59.018 0.077 0.000 1.725 373 C CB -1.582 26.258 27.740 0.168 0.000 2.028 373 C HN 0.646 nan 8.230 nan 0.000 0.477 374 F N 0.929 120.930 119.950 0.085 0.000 2.134 374 F HA -0.103 4.390 4.527 -0.058 0.000 0.299 374 F C 1.955 177.782 175.800 0.045 0.000 1.097 374 F CA 2.055 60.118 58.000 0.106 0.000 1.264 374 F CB -0.516 38.572 39.000 0.145 0.000 1.001 374 F HN 0.247 nan 8.300 nan 0.000 0.479 375 L N 0.119 121.438 121.223 0.159 0.000 2.056 375 L HA -0.124 4.183 4.340 -0.055 0.000 0.207 375 L C 2.416 179.120 176.870 -0.276 0.000 1.078 375 L CA 2.456 57.139 54.840 -0.261 0.000 0.749 375 L CB -0.869 40.739 42.059 -0.752 0.000 0.901 375 L HN 0.430 nan 8.230 nan 0.000 0.433 376 T N -2.714 111.724 114.554 -0.193 0.000 2.988 376 T HA 0.014 4.331 4.350 -0.055 0.000 0.240 376 T C 1.793 176.470 174.700 -0.037 0.000 1.014 376 T CA 0.561 62.440 62.100 -0.369 0.000 1.155 376 T CB -0.204 68.409 68.868 -0.426 0.000 0.872 376 T HN 0.516 nan 8.240 nan 0.000 0.440 377 R N 0.395 121.004 120.500 0.183 0.000 2.435 377 R HA 0.479 4.786 4.340 -0.055 0.000 0.221 377 R C 2.550 179.096 176.300 0.409 0.000 0.885 377 R CA 0.417 56.764 56.100 0.413 0.000 1.018 377 R CB -0.580 29.956 30.300 0.394 0.000 1.259 377 R HN 0.338 nan 8.270 nan 0.000 0.597 378 G N 1.129 110.086 108.800 0.262 0.000 2.404 378 G HA2 -0.164 3.763 3.960 -0.055 0.000 0.215 378 G HA3 -0.164 3.763 3.960 -0.055 0.000 0.215 378 G C 0.254 175.239 174.900 0.143 0.000 1.174 378 G CA 1.543 46.783 45.100 0.234 0.000 0.780 378 G HN 0.355 nan 8.290 nan 0.000 0.537 379 D N -1.335 119.046 120.400 -0.032 0.000 2.900 379 D HA 0.112 4.719 4.640 -0.055 0.000 0.175 379 D C 2.346 178.550 176.300 -0.159 0.000 1.476 379 D CA -0.369 53.511 54.000 -0.199 0.000 1.488 379 D CB -0.325 40.099 40.800 -0.628 0.000 1.426 379 D HN 0.110 nan 8.370 nan 0.000 0.295 380 L N -0.359 120.681 121.223 -0.305 0.000 2.083 380 L HA -0.055 4.252 4.340 -0.055 0.000 0.209 380 L C 0.681 177.711 176.870 0.267 0.000 1.083 380 L CA 0.890 55.652 54.840 -0.129 0.000 0.752 380 L CB -0.055 41.898 42.059 -0.177 0.000 0.899 380 L HN 0.398 nan 8.230 nan 0.000 0.433 381 W N 0.964 122.292 121.300 0.047 0.000 3.910 381 W HA -0.225 4.407 4.660 -0.046 0.000 0.355 381 W C -0.584 176.089 176.519 0.257 0.000 1.359 381 W CA -0.236 57.261 57.345 0.252 0.000 0.732 381 W CB -1.412 28.192 29.460 0.239 0.000 2.472 381 W HN 0.034 nan 8.180 nan 0.000 1.296 382 I N 1.494 122.011 120.570 -0.089 0.000 2.488 382 I HA 0.142 4.279 4.170 -0.055 0.000 0.299 382 I C 1.262 176.909 176.117 -0.783 0.000 0.984 382 I CA -0.320 60.805 61.300 -0.291 0.000 1.250 382 I CB 1.556 39.397 38.000 -0.266 0.000 1.389 382 I HN -0.088 nan 8.210 nan 0.000 0.488 383 S N 5.371 120.591 115.700 -0.799 0.000 2.562 383 S HA 0.019 4.456 4.470 -0.055 0.000 0.281 383 S C 1.149 175.073 174.600 -1.127 0.000 1.333 383 S CA -0.479 56.924 58.200 -1.329 0.000 1.052 383 S CB 0.412 63.120 63.200 -0.820 0.000 0.884 383 S HN 0.746 nan 8.310 nan 0.000 0.506 384 W N 4.017 124.624 121.300 -1.154 0.000 2.465 384 W HA -0.033 4.578 4.660 -0.083 0.000 0.268 384 W C 0.956 176.924 176.519 -0.918 0.000 1.242 384 W CA 0.764 57.582 57.345 -0.879 0.000 1.248 384 W CB -0.821 28.364 29.460 -0.457 0.000 1.118 384 W HN 0.785 nan 8.180 nan 0.000 0.587 385 E N 0.902 120.370 120.200 -1.220 0.000 2.153 385 E HA -0.183 4.134 4.350 -0.055 0.000 0.194 385 E C 2.008 178.189 176.600 -0.699 0.000 0.988 385 E CA 1.286 57.084 56.400 -1.003 0.000 0.811 385 E CB -0.078 29.046 29.700 -0.960 0.000 0.746 385 E HN 0.282 nan 8.360 nan 0.000 0.466 386 E N 0.084 119.869 120.200 -0.691 0.000 2.107 386 E HA -0.084 4.233 4.350 -0.055 0.000 0.191 386 E C 2.207 178.472 176.600 -0.558 0.000 0.982 386 E CA 0.911 57.001 56.400 -0.517 0.000 0.809 386 E CB -0.258 29.167 29.700 -0.458 0.000 0.756 386 E HN 0.322 nan 8.360 nan 0.000 0.459 387 G N 1.222 109.446 108.800 -0.961 0.000 2.402 387 G HA2 -0.311 3.616 3.960 -0.055 0.000 0.216 387 G HA3 -0.311 3.616 3.960 -0.055 0.000 0.216 387 G C 1.518 175.778 174.900 -1.068 0.000 1.162 387 G CA 0.722 45.123 45.100 -1.165 0.000 0.777 387 G HN 0.255 nan 8.290 nan 0.000 0.539 388 Q N -0.010 118.911 119.800 -1.466 0.000 2.112 388 Q HA -0.196 4.111 4.340 -0.055 0.000 0.206 388 Q C 2.552 178.422 176.000 -0.216 0.000 0.987 388 Q CA 1.727 57.054 55.803 -0.793 0.000 0.858 388 Q CB -0.150 28.264 28.738 -0.539 0.000 0.905 388 Q HN 0.514 nan 8.270 nan 0.000 0.420 389 R N -0.692 119.675 120.500 -0.223 0.000 2.081 389 R HA -0.125 4.182 4.340 -0.055 0.000 0.235 389 R C 2.159 178.479 176.300 0.033 0.000 1.131 389 R CA 1.529 57.582 56.100 -0.077 0.000 0.960 389 R CB -0.080 30.145 30.300 -0.126 0.000 0.856 389 R HN 0.184 nan 8.270 nan 0.000 0.436 390 V N 0.442 120.415 119.914 0.097 0.000 2.270 390 V HA -0.223 3.864 4.120 -0.055 0.000 0.245 390 V C 2.095 178.363 176.094 0.290 0.000 1.043 390 V CA 1.704 64.129 62.300 0.209 0.000 1.014 390 V CB -0.683 31.370 31.823 0.384 0.000 0.645 390 V HN 0.208 nan 8.190 nan 0.000 0.447 391 F N 0.793 120.821 119.950 0.130 0.000 2.120 391 F HA -0.212 4.270 4.527 -0.075 0.000 0.300 391 F C 2.538 178.386 175.800 0.080 0.000 1.095 391 F CA 1.905 59.992 58.000 0.146 0.000 1.249 391 F CB -0.667 38.533 39.000 0.332 0.000 0.995 391 F HN 0.276 nan 8.300 nan 0.000 0.480 392 E N -0.193 120.161 120.200 0.258 0.000 2.077 392 E HA -0.284 4.033 4.350 -0.055 0.000 0.193 392 E C 2.278 178.940 176.600 0.104 0.000 0.989 392 E CA 1.359 57.857 56.400 0.163 0.000 0.800 392 E CB -0.237 29.555 29.700 0.153 0.000 0.746 392 E HN 0.527 nan 8.360 nan 0.000 0.452 393 Q N -0.009 119.844 119.800 0.089 0.000 2.079 393 Q HA -0.135 4.172 4.340 -0.055 0.000 0.200 393 Q C 2.120 178.135 176.000 0.025 0.000 0.974 393 Q CA 1.338 57.174 55.803 0.054 0.000 0.840 393 Q CB 0.089 28.849 28.738 0.037 0.000 0.898 393 Q HN 0.382 nan 8.270 nan 0.000 0.430 394 L N 0.339 121.560 121.223 -0.002 0.000 2.529 394 L HA 0.187 4.494 4.340 -0.055 0.000 0.223 394 L C 0.441 177.266 176.870 -0.075 0.000 1.113 394 L CA -0.234 54.576 54.840 -0.051 0.000 0.861 394 L CB 0.237 42.227 42.059 -0.115 0.000 1.012 394 L HN 0.115 nan 8.230 nan 0.000 0.461 395 L N 0.520 121.697 121.223 -0.077 0.000 2.305 395 L HA 0.135 4.442 4.340 -0.055 0.000 0.281 395 L C 1.155 177.988 176.870 -0.061 0.000 1.085 395 L CA -0.291 54.496 54.840 -0.087 0.000 0.813 395 L CB 1.631 43.642 42.059 -0.079 0.000 1.157 395 L HN 0.117 nan 8.230 nan 0.000 0.436 396 L N 1.708 122.890 121.223 -0.068 0.000 2.109 396 L HA -0.146 4.161 4.340 -0.055 0.000 0.207 396 L C 1.252 177.980 176.870 -0.237 0.000 1.086 396 L CA 0.982 55.725 54.840 -0.161 0.000 0.760 396 L CB -0.251 41.659 42.059 -0.248 0.000 0.910 396 L HN 0.796 nan 8.230 nan 0.000 0.437 397 D N -1.624 118.683 120.400 -0.155 0.000 2.460 397 D HA -0.076 4.531 4.640 -0.055 0.000 0.229 397 D C 0.816 177.072 176.300 -0.074 0.000 1.170 397 D CA -0.300 53.625 54.000 -0.126 0.000 0.827 397 D CB -0.232 40.555 40.800 -0.022 0.000 0.973 397 D HN 0.009 nan 8.370 nan 0.000 0.496 398 Q N 1.442 121.190 119.800 -0.086 0.000 2.264 398 Q HA -0.009 4.298 4.340 -0.055 0.000 0.296 398 Q C -0.946 175.046 176.000 -0.014 0.000 1.103 398 Q CA 0.822 56.615 55.803 -0.016 0.000 0.967 398 Q CB 0.291 29.018 28.738 -0.019 0.000 1.090 398 Q HN 0.378 nan 8.270 nan 0.000 0.379 399 D N 4.224 124.660 120.400 0.061 0.000 2.696 399 D HA 0.040 4.647 4.640 -0.055 0.000 0.251 399 D C 0.219 176.599 176.300 0.134 0.000 1.188 399 D CA -0.508 53.551 54.000 0.099 0.000 0.876 399 D CB 0.468 41.336 40.800 0.112 0.000 1.334 399 D HN 0.728 nan 8.370 nan 0.000 0.540 400 W N 4.905 126.205 121.300 -0.001 0.000 2.335 400 W HA -0.150 4.489 4.660 -0.035 0.000 0.311 400 W C 1.615 178.149 176.519 0.025 0.000 1.213 400 W CA 2.354 59.718 57.345 0.031 0.000 1.274 400 W CB -0.101 29.381 29.460 0.036 0.000 1.148 400 W HN 0.535 nan 8.180 nan 0.000 0.498 401 A N -0.109 122.587 122.820 -0.207 0.000 1.873 401 A HA -0.121 4.166 4.320 -0.055 0.000 0.215 401 A C 1.862 179.221 177.584 -0.375 0.000 1.186 401 A CA 1.799 53.478 52.037 -0.597 0.000 0.616 401 A CB -1.011 17.481 19.000 -0.847 0.000 0.823 401 A HN 0.303 nan 8.150 nan 0.000 0.442 402 L N 0.281 121.335 121.223 -0.282 0.000 2.056 402 L HA -0.095 4.212 4.340 -0.055 0.000 0.207 402 L C 2.213 178.930 176.870 -0.255 0.000 1.078 402 L CA 1.982 56.675 54.840 -0.245 0.000 0.749 402 L CB -1.329 40.702 42.059 -0.046 0.000 0.901 402 L HN 0.480 nan 8.230 nan 0.000 0.433 403 N N -0.259 118.386 118.700 -0.092 0.000 2.142 403 N HA -0.102 4.605 4.740 -0.055 0.000 0.186 403 N C 1.794 177.337 175.510 0.054 0.000 1.023 403 N CA 1.339 54.423 53.050 0.057 0.000 0.852 403 N CB -0.021 38.574 38.487 0.181 0.000 0.998 403 N HN 0.280 nan 8.380 nan 0.000 0.424 404 A N -0.141 122.623 122.820 -0.093 0.000 1.845 404 A HA 0.020 4.307 4.320 -0.055 0.000 0.215 404 A C 2.330 179.687 177.584 -0.379 0.000 1.195 404 A CA 1.906 53.834 52.037 -0.182 0.000 0.616 404 A CB -1.505 17.309 19.000 -0.310 0.000 0.832 404 A HN 0.411 nan 8.150 nan 0.000 0.443 405 G N -0.447 108.149 108.800 -0.340 0.000 2.440 405 G HA2 -0.285 3.642 3.960 -0.055 0.000 0.218 405 G HA3 -0.285 3.642 3.960 -0.055 0.000 0.218 405 G C 1.406 176.049 174.900 -0.429 0.000 1.154 405 G CA 1.278 46.149 45.100 -0.381 0.000 0.767 405 G HN 0.667 nan 8.290 nan 0.000 0.552 406 N N -1.042 117.304 118.700 -0.590 0.000 2.354 406 N HA -0.013 4.694 4.740 -0.055 0.000 0.179 406 N C 1.721 177.009 175.510 -0.369 0.000 1.021 406 N CA 0.409 53.197 53.050 -0.436 0.000 0.887 406 N CB -0.104 38.097 38.487 -0.477 0.000 0.974 406 N HN 0.544 nan 8.380 nan 0.000 0.437 407 W N 0.813 121.870 121.300 -0.405 0.000 2.476 407 W HA 0.115 4.716 4.660 -0.098 0.000 0.281 407 W C 2.064 178.235 176.519 -0.582 0.000 1.230 407 W CA 0.513 57.598 57.345 -0.433 0.000 1.287 407 W CB -0.019 29.256 29.460 -0.309 0.000 1.108 407 W HN 0.029 nan 8.180 nan 0.000 0.567 408 M N -1.131 118.146 119.600 -0.539 0.000 2.117 408 M HA -0.248 4.199 4.480 -0.055 0.000 0.262 408 M C 2.114 178.317 176.300 -0.161 0.000 1.065 408 M CA 1.529 56.450 55.300 -0.632 0.000 1.114 408 M CB -0.954 31.300 32.600 -0.576 0.000 1.361 408 M HN 0.202 nan 8.290 nan 0.000 0.408 409 W N 1.421 122.628 121.300 -0.154 0.000 2.318 409 W HA -0.236 4.387 4.660 -0.061 0.000 0.313 409 W C 1.770 178.149 176.519 -0.233 0.000 1.221 409 W CA 1.377 58.681 57.345 -0.068 0.000 1.266 409 W CB -0.407 28.998 29.460 -0.091 0.000 1.150 409 W HN 0.147 nan 8.180 nan 0.000 0.496 410 L N 1.320 122.528 121.223 -0.024 0.000 2.217 410 L HA -0.132 4.175 4.340 -0.055 0.000 0.211 410 L C 2.414 179.258 176.870 -0.043 0.000 1.107 410 L CA 2.096 56.822 54.840 -0.189 0.000 0.783 410 L CB -1.569 40.180 42.059 -0.516 0.000 0.919 410 L HN 0.109 nan 8.230 nan 0.000 0.442 411 S N -1.010 114.685 115.700 -0.007 0.000 2.575 411 S HA 0.230 4.667 4.470 -0.055 0.000 0.215 411 S C 1.261 176.003 174.600 0.238 0.000 0.966 411 S CA 0.317 58.590 58.200 0.122 0.000 0.911 411 S CB 0.008 63.249 63.200 0.067 0.000 0.780 411 S HN 0.356 nan 8.310 nan 0.000 0.514 412 A N 0.626 123.562 122.820 0.193 0.000 2.704 412 A HA -0.204 4.083 4.320 -0.055 0.000 0.299 412 A C 1.513 179.189 177.584 0.154 0.000 1.507 412 A CA 0.980 53.164 52.037 0.246 0.000 0.776 412 A CB -2.529 16.727 19.000 0.428 0.000 1.027 412 A HN 0.580 nan 8.150 nan 0.000 0.475 413 S N -1.281 114.431 115.700 0.020 0.000 2.439 413 S HA 0.509 4.946 4.470 -0.055 0.000 0.224 413 S C 0.899 175.402 174.600 -0.162 0.000 1.029 413 S CA 1.044 59.235 58.200 -0.016 0.000 0.946 413 S CB 0.259 63.424 63.200 -0.057 0.000 0.797 413 S HN 2.123 nan 8.310 nan 0.000 0.504 414 A N -0.490 122.160 122.820 -0.284 0.000 2.566 414 A HA 0.655 4.942 4.320 -0.055 0.000 0.297 414 A C -0.526 176.802 177.584 -0.426 0.000 1.059 414 A CA -0.704 51.024 52.037 -0.514 0.000 0.691 414 A CB 0.252 18.794 19.000 -0.764 0.000 1.282 414 A HN 0.203 nan 8.150 nan 0.000 0.401 415 F N -1.450 118.415 119.950 -0.143 0.000 2.619 415 F HA -0.192 4.302 4.527 -0.054 0.000 0.425 415 F C -0.144 175.260 175.800 -0.661 0.000 0.575 415 F CA 1.714 59.656 58.000 -0.096 0.000 1.289 415 F CB -2.011 37.174 39.000 0.308 0.000 1.859 415 F HN 0.849 nan 8.300 nan 0.000 0.280 416 F N -0.029 119.321 119.950 -1.001 0.000 2.601 416 F HA 0.663 5.158 4.527 -0.054 0.000 0.309 416 F C 0.490 175.740 175.800 -0.917 0.000 1.089 416 F CA -0.845 56.524 58.000 -1.052 0.000 0.940 416 F CB 1.073 39.255 39.000 -1.362 0.000 1.273 416 F HN 0.041 nan 8.300 nan 0.000 0.450 417 H N 2.385 120.966 119.070 -0.815 0.000 3.854 417 H HA 0.107 4.632 4.556 -0.052 0.000 0.264 417 H C -0.361 174.755 175.328 -0.354 0.000 1.170 417 H CA -0.022 55.868 56.048 -0.263 0.000 1.167 417 H CB 0.649 30.385 29.762 -0.043 0.000 1.558 417 H HN 0.557 nan 8.280 nan 0.000 0.751 418 Q N 2.024 121.316 119.800 -0.847 0.000 3.184 418 Q HA 0.033 4.340 4.340 -0.055 0.000 0.288 418 Q C 0.470 176.371 176.000 -0.166 0.000 1.412 418 Q CA -0.263 55.248 55.803 -0.486 0.000 0.991 418 Q CB -0.370 28.111 28.738 -0.428 0.000 1.688 418 Q HN 0.580 nan 8.270 nan 0.000 0.554 419 Y N -2.657 117.639 120.300 -0.007 0.000 2.651 419 Y HA -0.112 4.405 4.550 -0.056 0.000 0.296 419 Y C 1.009 177.053 175.900 0.239 0.000 1.150 419 Y CA 0.229 58.413 58.100 0.139 0.000 1.348 419 Y CB -0.222 38.230 38.460 -0.013 0.000 0.983 419 Y HN 0.231 nan 8.280 nan 0.000 0.555 420 F N 1.586 121.352 119.950 -0.306 0.000 2.293 420 F HA 0.054 4.547 4.527 -0.056 0.000 0.300 420 F C 1.137 176.931 175.800 -0.011 0.000 1.086 420 F CA 0.364 58.272 58.000 -0.154 0.000 1.375 420 F CB -0.244 38.617 39.000 -0.232 0.000 1.045 420 F HN -0.045 nan 8.300 nan 0.000 0.516 421 R N 0.724 121.338 120.500 0.190 0.000 2.325 421 R HA 0.306 4.613 4.340 -0.055 0.000 0.323 421 R C -1.003 175.313 176.300 0.027 0.000 1.177 421 R CA -0.161 55.992 56.100 0.088 0.000 1.018 421 R CB 0.491 30.863 30.300 0.119 0.000 1.070 421 R HN -0.163 nan 8.270 nan 0.000 0.495 422 V N 5.103 125.012 119.914 -0.007 0.000 2.409 422 V HA 0.187 4.274 4.120 -0.055 0.000 0.291 422 V C -0.421 175.632 176.094 -0.068 0.000 1.020 422 V CA -0.969 61.349 62.300 0.031 0.000 0.848 422 V CB 0.994 32.921 31.823 0.174 0.000 0.990 422 V HN 0.560 nan 8.190 nan 0.000 0.430 423 Y N 2.368 122.658 120.300 -0.017 0.000 2.620 423 Y HA 0.095 4.613 4.550 -0.054 0.000 0.330 423 Y C 1.219 177.070 175.900 -0.082 0.000 1.186 423 Y CA 0.584 58.603 58.100 -0.135 0.000 1.467 423 Y CB 0.662 38.945 38.460 -0.295 0.000 1.262 423 Y HN 0.597 nan 8.280 nan 0.000 0.550 424 S N 6.034 121.759 115.700 0.043 0.000 2.416 424 S HA 0.176 4.613 4.470 -0.055 0.000 0.287 424 S C -1.376 173.201 174.600 -0.038 0.000 1.139 424 S CA -1.668 56.458 58.200 -0.124 0.000 1.058 424 S CB 0.511 63.700 63.200 -0.018 0.000 0.967 424 S HN 0.481 nan 8.310 nan 0.000 0.495 425 P HA -0.064 nan 4.420 nan 0.000 0.228 425 P C 1.055 178.512 177.300 0.262 0.000 1.151 425 P CA 0.675 63.863 63.100 0.148 0.000 0.770 425 P CB 0.096 31.759 31.700 -0.062 0.000 0.786 426 V N 0.041 120.051 119.914 0.160 0.000 2.627 426 V HA 0.104 4.191 4.120 -0.055 0.000 0.239 426 V C 2.731 178.739 176.094 -0.144 0.000 1.077 426 V CA 1.443 63.840 62.300 0.160 0.000 1.103 426 V CB -1.437 30.537 31.823 0.251 0.000 0.802 426 V HN 0.024 nan 8.190 nan 0.000 0.482 427 A N -0.196 122.570 122.820 -0.089 0.000 1.930 427 A HA -0.175 4.112 4.320 -0.055 0.000 0.217 427 A C 2.079 179.564 177.584 -0.165 0.000 1.175 427 A CA 1.705 53.661 52.037 -0.135 0.000 0.627 427 A CB -0.670 18.315 19.000 -0.025 0.000 0.815 427 A HN 0.462 nan 8.150 nan 0.000 0.443 428 F N 1.286 121.077 119.950 -0.265 0.000 2.134 428 F HA -0.048 4.446 4.527 -0.056 0.000 0.299 428 F C 2.307 177.857 175.800 -0.417 0.000 1.097 428 F CA 1.343 59.202 58.000 -0.234 0.000 1.264 428 F CB -0.776 38.194 39.000 -0.050 0.000 1.001 428 F HN 0.198 nan 8.300 nan 0.000 0.479 429 G N -0.091 108.153 108.800 -0.926 0.000 2.408 429 G HA2 -0.228 3.699 3.960 -0.055 0.000 0.217 429 G HA3 -0.228 3.699 3.960 -0.055 0.000 0.217 429 G C 1.758 176.307 174.900 -0.585 0.000 1.150 429 G CA 0.613 45.108 45.100 -1.008 0.000 0.776 429 G HN 0.335 nan 8.290 nan 0.000 0.542 430 K N 0.666 120.613 120.400 -0.755 0.000 2.103 430 K HA -0.083 4.204 4.320 -0.055 0.000 0.207 430 K C 2.475 178.883 176.600 -0.319 0.000 1.048 430 K CA 1.191 57.120 56.287 -0.596 0.000 0.930 430 K CB -0.127 31.996 32.500 -0.629 0.000 0.716 430 K HN 0.269 nan 8.250 nan 0.000 0.444 431 K N 0.158 120.372 120.400 -0.310 0.000 2.103 431 K HA -0.123 4.164 4.320 -0.055 0.000 0.207 431 K C 2.086 178.580 176.600 -0.177 0.000 1.048 431 K CA 1.918 58.076 56.287 -0.215 0.000 0.930 431 K CB -0.161 32.212 32.500 -0.210 0.000 0.716 431 K HN 0.323 nan 8.250 nan 0.000 0.444 432 T N -2.256 112.174 114.554 -0.207 0.000 3.014 432 T HA 0.016 4.333 4.350 -0.055 0.000 0.250 432 T C 0.336 174.992 174.700 -0.073 0.000 1.060 432 T CA 0.054 62.068 62.100 -0.142 0.000 1.040 432 T CB 0.275 69.031 68.868 -0.186 0.000 0.971 432 T HN -0.050 nan 8.240 nan 0.000 0.497 433 D N 2.091 122.455 120.400 -0.060 0.000 2.552 433 D HA 0.315 4.923 4.640 -0.055 0.000 0.285 433 D C -1.900 174.417 176.300 0.027 0.000 1.206 433 D CA -2.342 51.675 54.000 0.028 0.000 0.826 433 D CB 1.398 42.267 40.800 0.115 0.000 1.179 433 D HN -0.033 nan 8.370 nan 0.000 0.508 434 P HA -0.155 nan 4.420 nan 0.000 0.218 434 P C 1.144 178.432 177.300 -0.021 0.000 1.149 434 P CA 0.896 63.968 63.100 -0.047 0.000 0.817 434 P CB 0.495 32.157 31.700 -0.062 0.000 0.785 435 Q N -1.003 118.716 119.800 -0.136 0.000 2.378 435 Q HA 0.091 4.398 4.340 -0.055 0.000 0.205 435 Q C 1.573 177.403 176.000 -0.283 0.000 0.954 435 Q CA 1.111 56.740 55.803 -0.289 0.000 0.901 435 Q CB -0.825 27.536 28.738 -0.628 0.000 0.981 435 Q HN 0.364 nan 8.270 nan 0.000 0.483 436 G N 1.221 109.939 108.800 -0.137 0.000 2.198 436 G HA2 -0.287 3.640 3.960 -0.055 0.000 0.257 436 G HA3 -0.287 3.640 3.960 -0.055 0.000 0.257 436 G C 0.517 175.379 174.900 -0.062 0.000 1.042 436 G CA 0.510 45.560 45.100 -0.084 0.000 0.791 436 G HN 0.362 nan 8.290 nan 0.000 0.502 437 H N -1.450 117.668 119.070 0.080 0.000 2.353 437 H HA -0.153 4.369 4.556 -0.055 0.000 0.298 437 H C 2.061 177.451 175.328 0.103 0.000 1.103 437 H CA 1.859 57.947 56.048 0.066 0.000 1.293 437 H CB -0.295 29.515 29.762 0.080 0.000 1.372 437 H HN 0.675 nan 8.280 nan 0.000 0.501 438 Y N 0.973 121.382 120.300 0.182 0.000 2.181 438 Y HA -0.140 4.376 4.550 -0.057 0.000 0.288 438 Y C 2.556 178.553 175.900 0.163 0.000 1.146 438 Y CA 1.027 59.248 58.100 0.201 0.000 1.164 438 Y CB -0.525 38.073 38.460 0.229 0.000 0.982 438 Y HN 0.026 nan 8.280 nan 0.000 0.515 439 I N -0.016 120.634 120.570 0.133 0.000 2.252 439 I HA -0.316 3.821 4.170 -0.055 0.000 0.245 439 I C 2.396 178.442 176.117 -0.118 0.000 1.102 439 I CA 1.333 62.599 61.300 -0.056 0.000 1.385 439 I CB -0.344 37.539 38.000 -0.194 0.000 1.064 439 I HN 0.172 nan 8.210 nan 0.000 0.414 440 R N 0.627 121.074 120.500 -0.089 0.000 2.105 440 R HA -0.234 4.073 4.340 -0.055 0.000 0.239 440 R C 2.275 178.491 176.300 -0.140 0.000 1.135 440 R CA 1.460 57.504 56.100 -0.094 0.000 0.967 440 R CB -0.425 29.858 30.300 -0.028 0.000 0.861 440 R HN 0.358 nan 8.270 nan 0.000 0.442 441 K N 0.181 120.462 120.400 -0.199 0.000 2.001 441 K HA -0.144 4.143 4.320 -0.055 0.000 0.208 441 K C 1.461 177.738 176.600 -0.538 0.000 1.048 441 K CA 1.441 57.481 56.287 -0.411 0.000 0.932 441 K CB -0.005 32.129 32.500 -0.610 0.000 0.715 441 K HN 0.120 nan 8.250 nan 0.000 0.437 442 Y N -0.352 119.797 120.300 -0.251 0.000 2.510 442 Y HA 0.116 4.635 4.550 -0.051 0.000 0.273 442 Y C 0.317 176.114 175.900 -0.172 0.000 1.119 442 Y CA -0.024 57.929 58.100 -0.245 0.000 1.286 442 Y CB 1.025 39.244 38.460 -0.401 0.000 1.061 442 Y HN -0.205 nan 8.280 nan 0.000 0.542 443 V N 2.942 122.815 119.914 -0.067 0.000 2.271 443 V HA 0.176 4.263 4.120 -0.055 0.000 0.259 443 V C -1.823 174.198 176.094 -0.122 0.000 1.030 443 V CA -1.174 61.078 62.300 -0.081 0.000 0.957 443 V CB 0.818 32.559 31.823 -0.136 0.000 1.186 443 V HN 0.025 nan 8.190 nan 0.000 0.471 444 P HA -0.100 nan 4.420 nan 0.000 0.226 444 P C 1.081 178.347 177.300 -0.057 0.000 1.153 444 P CA 0.890 63.941 63.100 -0.083 0.000 0.777 444 P CB 0.593 32.250 31.700 -0.072 0.000 0.794 445 E N 0.260 120.429 120.200 -0.052 0.000 2.209 445 E HA -0.116 4.202 4.350 -0.055 0.000 0.196 445 E C 1.439 178.014 176.600 -0.041 0.000 0.993 445 E CA 0.957 57.341 56.400 -0.026 0.000 0.819 445 E CB -0.658 29.042 29.700 0.001 0.000 0.745 445 E HN 0.343 nan 8.360 nan 0.000 0.477 446 L N 0.414 121.549 121.223 -0.146 0.000 2.965 446 L HA 0.186 4.493 4.340 -0.055 0.000 0.254 446 L C 1.365 178.220 176.870 -0.025 0.000 1.220 446 L CA -0.067 54.681 54.840 -0.153 0.000 1.023 446 L CB 0.224 41.937 42.059 -0.576 0.000 1.355 446 L HN 0.090 nan 8.230 nan 0.000 0.545 447 S N -1.142 114.546 115.700 -0.019 0.000 2.515 447 S HA -0.076 4.361 4.470 -0.055 0.000 0.231 447 S C 1.599 176.194 174.600 -0.009 0.000 0.987 447 S CA 0.535 58.717 58.200 -0.030 0.000 0.936 447 S CB -0.100 63.078 63.200 -0.037 0.000 0.766 447 S HN 0.418 nan 8.310 nan 0.000 0.528 448 K N -0.222 120.194 120.400 0.026 0.000 2.374 448 K HA 0.235 4.522 4.320 -0.055 0.000 0.196 448 K C -0.756 175.720 176.600 -0.207 0.000 1.023 448 K CA -0.267 55.999 56.287 -0.035 0.000 1.103 448 K CB 0.130 32.636 32.500 0.010 0.000 0.848 448 K HN 0.351 nan 8.250 nan 0.000 0.528 449 Y N 2.085 122.174 120.300 -0.352 0.000 2.411 449 Y HA 0.062 4.579 4.550 -0.054 0.000 0.333 449 Y C -1.971 173.637 175.900 -0.487 0.000 1.186 449 Y CA -2.384 55.341 58.100 -0.626 0.000 1.381 449 Y CB 0.121 38.325 38.460 -0.428 0.000 1.273 449 Y HN 0.018 nan 8.280 nan 0.000 0.546 450 P HA 0.076 nan 4.420 nan 0.000 0.272 450 P C -0.127 177.104 177.300 -0.114 0.000 1.230 450 P CA 0.046 63.011 63.100 -0.225 0.000 0.788 450 P CB 0.868 32.448 31.700 -0.200 0.000 0.949 451 A N 2.290 125.065 122.820 -0.075 0.000 2.076 451 A HA -0.092 4.195 4.320 -0.055 0.000 0.220 451 A C 2.247 179.833 177.584 0.002 0.000 1.160 451 A CA 2.010 54.031 52.037 -0.028 0.000 0.653 451 A CB -1.762 17.219 19.000 -0.031 0.000 0.801 451 A HN 0.663 nan 8.150 nan 0.000 0.455 452 G N -0.875 107.912 108.800 -0.021 0.000 2.462 452 G HA2 -0.185 3.742 3.960 -0.055 0.000 0.220 452 G HA3 -0.185 3.742 3.960 -0.055 0.000 0.220 452 G C 1.140 176.033 174.900 -0.011 0.000 1.121 452 G CA 1.623 46.717 45.100 -0.011 0.000 0.758 452 G HN 1.278 nan 8.290 nan 0.000 0.559 453 C N -2.133 117.159 119.300 -0.014 0.000 3.692 453 C HA 0.507 4.934 4.460 -0.055 0.000 0.277 453 C C 1.860 176.794 174.990 -0.093 0.000 2.095 453 C CA -0.797 58.191 59.018 -0.049 0.000 1.666 453 C CB -1.086 26.649 27.740 -0.008 0.000 3.354 453 C HN 0.236 nan 8.230 nan 0.000 0.474 454 I N 0.453 120.975 120.570 -0.079 0.000 2.454 454 I HA -0.118 4.019 4.170 -0.055 0.000 0.254 454 I C 2.021 177.945 176.117 -0.323 0.000 1.156 454 I CA 1.694 62.853 61.300 -0.236 0.000 1.433 454 I CB 0.043 37.913 38.000 -0.216 0.000 1.082 454 I HN 0.478 nan 8.210 nan 0.000 0.432 455 Y N 0.901 121.087 120.300 -0.190 0.000 2.475 455 Y HA 0.016 4.532 4.550 -0.056 0.000 0.289 455 Y C 0.707 176.422 175.900 -0.309 0.000 1.121 455 Y CA 0.487 58.505 58.100 -0.137 0.000 1.257 455 Y CB 0.288 38.702 38.460 -0.078 0.000 1.026 455 Y HN 0.214 nan 8.280 nan 0.000 0.555 456 E N -0.893 119.050 120.200 -0.428 0.000 3.898 456 E HA 0.162 4.479 4.350 -0.055 0.000 0.219 456 E C -2.279 173.661 176.600 -1.099 0.000 1.207 456 E CA -1.385 54.294 56.400 -1.203 0.000 1.240 456 E CB 0.780 30.004 29.700 -0.793 0.000 1.239 456 E HN 0.119 nan 8.360 nan 0.000 0.422 457 P HA -0.180 nan 4.420 nan 0.000 0.219 457 P C 0.818 178.097 177.300 -0.037 0.000 1.146 457 P CA 0.873 63.794 63.100 -0.299 0.000 0.808 457 P CB -0.148 31.364 31.700 -0.313 0.000 0.779 458 W N 0.048 121.410 121.300 0.103 0.000 2.468 458 W HA 0.002 4.628 4.660 -0.056 0.000 0.262 458 W C 1.189 177.787 176.519 0.132 0.000 1.241 458 W CA 0.669 58.090 57.345 0.127 0.000 1.232 458 W CB -1.412 28.107 29.460 0.097 0.000 1.124 458 W HN -0.199 nan 8.180 nan 0.000 0.597 459 K N 0.926 121.263 120.400 -0.105 0.000 2.418 459 K HA 0.201 4.488 4.320 -0.055 0.000 0.195 459 K C 0.593 177.243 176.600 0.083 0.000 1.035 459 K CA 0.707 57.000 56.287 0.010 0.000 1.003 459 K CB -0.442 31.996 32.500 -0.104 0.000 0.793 459 K HN 0.199 nan 8.250 nan 0.000 0.494 460 A N 2.065 124.965 122.820 0.133 0.000 2.301 460 A HA 0.317 4.604 4.320 -0.055 0.000 0.298 460 A C 0.508 178.179 177.584 0.145 0.000 1.185 460 A CA -0.458 51.690 52.037 0.184 0.000 0.830 460 A CB 0.375 19.581 19.000 0.343 0.000 1.112 460 A HN 0.247 nan 8.150 nan 0.000 0.508 461 S N 2.102 117.852 115.700 0.083 0.000 2.580 461 S HA 0.119 4.556 4.470 -0.055 0.000 0.266 461 S C 1.066 175.682 174.600 0.025 0.000 1.354 461 S CA 0.173 58.404 58.200 0.052 0.000 1.008 461 S CB 0.290 63.500 63.200 0.016 0.000 0.898 461 S HN 1.174 nan 8.310 nan 0.000 0.555 462 L N 2.536 123.778 121.223 0.031 0.000 2.056 462 L HA -0.042 4.265 4.340 -0.055 0.000 0.207 462 L C 2.477 179.320 176.870 -0.044 0.000 1.078 462 L CA 2.168 57.022 54.840 0.022 0.000 0.749 462 L CB -1.037 41.045 42.059 0.039 0.000 0.901 462 L HN 0.821 nan 8.230 nan 0.000 0.433 463 V N -3.128 116.750 119.914 -0.061 0.000 2.332 463 V HA -0.267 3.820 4.120 -0.055 0.000 0.248 463 V C 2.210 178.173 176.094 -0.218 0.000 1.055 463 V CA 2.099 64.337 62.300 -0.105 0.000 1.038 463 V CB -1.182 30.593 31.823 -0.079 0.000 0.651 463 V HN 0.398 nan 8.190 nan 0.000 0.450 464 D N 0.032 120.271 120.400 -0.268 0.000 2.097 464 D HA -0.139 4.468 4.640 -0.055 0.000 0.197 464 D C 2.424 178.213 176.300 -0.852 0.000 0.984 464 D CA 1.865 55.510 54.000 -0.591 0.000 0.826 464 D CB -0.299 40.286 40.800 -0.359 0.000 0.973 464 D HN 0.651 nan 8.370 nan 0.000 0.460 465 Q N 0.355 119.949 119.800 -0.343 0.000 2.002 465 Q HA -0.145 4.162 4.340 -0.055 0.000 0.204 465 Q C 2.362 178.256 176.000 -0.176 0.000 0.988 465 Q CA 1.220 56.938 55.803 -0.142 0.000 0.843 465 Q CB -0.094 28.703 28.738 0.098 0.000 0.908 465 Q HN 0.210 nan 8.270 nan 0.000 0.420 466 R N 0.338 120.759 120.500 -0.132 0.000 2.136 466 R HA -0.244 4.063 4.340 -0.055 0.000 0.242 466 R C 2.349 178.561 176.300 -0.147 0.000 1.131 466 R CA 1.577 57.618 56.100 -0.097 0.000 0.937 466 R CB -0.719 29.532 30.300 -0.082 0.000 0.863 466 R HN 0.309 nan 8.270 nan 0.000 0.435 467 A N 0.295 122.954 122.820 -0.268 0.000 1.986 467 A HA -0.187 4.100 4.320 -0.055 0.000 0.220 467 A C 1.521 178.985 177.584 -0.200 0.000 1.171 467 A CA 1.442 53.317 52.037 -0.271 0.000 0.640 467 A CB -0.590 18.183 19.000 -0.377 0.000 0.811 467 A HN 0.395 nan 8.150 nan 0.000 0.451 468 Y N -0.975 119.201 120.300 -0.206 0.000 2.529 468 Y HA 0.341 4.858 4.550 -0.055 0.000 0.290 468 Y C 1.941 177.764 175.900 -0.129 0.000 1.177 468 Y CA -0.318 57.613 58.100 -0.283 0.000 1.305 468 Y CB -0.833 37.171 38.460 -0.760 0.000 1.047 468 Y HN 0.447 nan 8.280 nan 0.000 0.522 469 G N -0.355 108.469 108.800 0.041 0.000 2.143 469 G HA2 -0.295 3.632 3.960 -0.055 0.000 0.248 469 G HA3 -0.295 3.632 3.960 -0.055 0.000 0.248 469 G C -0.093 174.866 174.900 0.098 0.000 0.991 469 G CA 0.137 45.270 45.100 0.054 0.000 0.689 469 G HN 0.446 nan 8.290 nan 0.000 0.522 470 C N 0.774 120.166 119.300 0.155 0.000 2.919 470 C HA 0.599 5.026 4.460 -0.055 0.000 0.337 470 C C 0.313 175.439 174.990 0.226 0.000 1.039 470 C CA -0.325 58.819 59.018 0.210 0.000 1.373 470 C CB 0.320 28.243 27.740 0.304 0.000 1.843 470 C HN 1.039 nan 8.230 nan 0.000 0.493 471 V N 8.103 128.100 119.914 0.139 0.000 2.432 471 V HA 0.449 4.536 4.120 -0.055 0.000 0.271 471 V C 0.151 176.307 176.094 0.102 0.000 1.046 471 V CA -0.076 62.296 62.300 0.120 0.000 0.945 471 V CB 0.940 32.808 31.823 0.074 0.000 0.992 471 V HN 0.778 nan 8.190 nan 0.000 0.471 472 L N 7.350 128.636 121.223 0.105 0.000 2.453 472 L HA 0.436 4.743 4.340 -0.055 0.000 0.272 472 L C 1.555 178.270 176.870 -0.259 0.000 1.182 472 L CA 0.971 55.790 54.840 -0.034 0.000 0.858 472 L CB 0.376 42.449 42.059 0.024 0.000 1.120 472 L HN 1.012 nan 8.230 nan 0.000 0.474 473 G N 1.737 110.248 108.800 -0.482 0.000 2.213 473 G HA2 -0.269 3.658 3.960 -0.055 0.000 0.236 473 G HA3 -0.269 3.658 3.960 -0.055 0.000 0.236 473 G C 0.645 175.506 174.900 -0.066 0.000 0.991 473 G CA 0.440 45.317 45.100 -0.371 0.000 0.629 473 G HN 0.641 nan 8.290 nan 0.000 0.517 474 T N -0.435 114.100 114.554 -0.031 0.000 3.272 474 T HA 0.192 4.509 4.350 -0.055 0.000 0.247 474 T C 1.413 176.131 174.700 0.029 0.000 0.990 474 T CA 1.002 63.112 62.100 0.016 0.000 1.213 474 T CB 0.014 68.904 68.868 0.036 0.000 1.124 474 T HN 0.087 nan 8.240 nan 0.000 0.401 475 D N -0.233 120.203 120.400 0.060 0.000 2.333 475 D HA 0.189 4.796 4.640 -0.055 0.000 0.208 475 D C -0.336 176.064 176.300 0.167 0.000 0.984 475 D CA 0.611 54.668 54.000 0.095 0.000 0.873 475 D CB 0.552 41.416 40.800 0.105 0.000 0.935 475 D HN 0.282 nan 8.370 nan 0.000 0.521 476 Y N -0.243 120.038 120.300 -0.032 0.000 2.571 476 Y HA 0.347 4.864 4.550 -0.056 0.000 0.341 476 Y C -2.677 173.174 175.900 -0.082 0.000 1.076 476 Y CA -2.550 55.524 58.100 -0.044 0.000 1.029 476 Y CB 1.980 40.409 38.460 -0.051 0.000 1.308 476 Y HN -0.277 nan 8.280 nan 0.000 0.461 477 P HA 0.181 nan 4.420 nan 0.000 0.275 477 P C -0.902 176.199 177.300 -0.331 0.000 1.227 477 P CA 0.174 62.996 63.100 -0.463 0.000 0.781 477 P CB 0.504 31.934 31.700 -0.449 0.000 0.906 478 H N 2.066 121.098 119.070 -0.063 0.000 2.707 478 H HA 0.088 4.611 4.556 -0.055 0.000 0.359 478 H C 0.849 176.160 175.328 -0.029 0.000 1.113 478 H CA 0.096 56.147 56.048 0.005 0.000 1.422 478 H CB 0.639 30.414 29.762 0.022 0.000 1.443 478 H HN 0.436 nan 8.280 nan 0.000 0.591 479 R N 2.938 123.478 120.500 0.067 0.000 2.458 479 R HA 0.047 4.354 4.340 -0.055 0.000 0.303 479 R C 1.237 177.565 176.300 0.047 0.000 1.013 479 R CA -0.050 56.000 56.100 -0.084 0.000 1.026 479 R CB -0.162 29.769 30.300 -0.614 0.000 0.948 479 R HN 0.684 nan 8.270 nan 0.000 0.417 480 I N 0.947 121.626 120.570 0.182 0.000 2.493 480 I HA -0.080 4.057 4.170 -0.055 0.000 0.254 480 I C 0.564 176.773 176.117 0.153 0.000 1.160 480 I CA 0.262 61.694 61.300 0.219 0.000 1.445 480 I CB -0.188 38.003 38.000 0.319 0.000 1.086 480 I HN 0.467 nan 8.210 nan 0.000 0.433 481 V N -1.752 118.253 119.914 0.152 0.000 3.160 481 V HA 0.546 4.633 4.120 -0.055 0.000 0.310 481 V C -0.815 175.357 176.094 0.130 0.000 1.181 481 V CA -1.155 61.187 62.300 0.069 0.000 1.047 481 V CB 1.841 33.626 31.823 -0.063 0.000 1.068 481 V HN 0.079 nan 8.190 nan 0.000 0.441 482 K N 0.679 121.116 120.400 0.063 0.000 2.334 482 K HA 0.345 4.632 4.320 -0.055 0.000 0.265 482 K C 0.441 177.132 176.600 0.151 0.000 1.039 482 K CA -0.567 55.765 56.287 0.075 0.000 0.920 482 K CB 1.052 33.547 32.500 -0.009 0.000 1.160 482 K HN 0.975 nan 8.250 nan 0.000 0.451 483 H N 2.972 122.155 119.070 0.189 0.000 2.353 483 H HA -0.193 4.329 4.556 -0.056 0.000 0.298 483 H C 0.848 176.315 175.328 0.232 0.000 1.103 483 H CA 2.398 58.539 56.048 0.155 0.000 1.293 483 H CB 0.583 30.440 29.762 0.159 0.000 1.372 483 H HN 0.611 nan 8.280 nan 0.000 0.501 484 E N -0.322 119.992 120.200 0.190 0.000 2.051 484 E HA -0.120 4.197 4.350 -0.055 0.000 0.192 484 E C 2.528 179.157 176.600 0.048 0.000 0.991 484 E CA 1.370 57.867 56.400 0.162 0.000 0.799 484 E CB -0.458 29.341 29.700 0.165 0.000 0.748 484 E HN 0.316 nan 8.360 nan 0.000 0.449 485 V N 1.117 121.037 119.914 0.009 0.000 2.307 485 V HA -0.220 3.867 4.120 -0.055 0.000 0.245 485 V C 2.435 178.460 176.094 -0.114 0.000 1.045 485 V CA 1.643 63.909 62.300 -0.055 0.000 1.024 485 V CB -0.651 31.149 31.823 -0.038 0.000 0.651 485 V HN 0.318 nan 8.190 nan 0.000 0.449 486 V N -0.064 119.797 119.914 -0.088 0.000 2.358 486 V HA -0.260 3.827 4.120 -0.055 0.000 0.246 486 V C 2.546 178.557 176.094 -0.138 0.000 1.047 486 V CA 2.287 64.522 62.300 -0.110 0.000 1.035 486 V CB -1.471 30.306 31.823 -0.076 0.000 0.658 486 V HN 0.794 nan 8.190 nan 0.000 0.452 487 H N 1.370 120.290 119.070 -0.250 0.000 2.389 487 H HA -0.073 4.450 4.556 -0.055 0.000 0.299 487 H C 1.992 177.212 175.328 -0.179 0.000 1.081 487 H CA 1.941 57.847 56.048 -0.236 0.000 1.345 487 H CB -0.269 29.209 29.762 -0.473 0.000 1.393 487 H HN 0.429 nan 8.280 nan 0.000 0.520 488 K N 0.592 120.457 120.400 -0.892 0.000 2.057 488 K HA -0.127 4.161 4.320 -0.055 0.000 0.206 488 K C 2.364 178.742 176.600 -0.370 0.000 1.050 488 K CA 1.238 57.108 56.287 -0.696 0.000 0.935 488 K CB 0.012 32.166 32.500 -0.576 0.000 0.715 488 K HN 0.404 nan 8.250 nan 0.000 0.439 489 E N 1.045 121.063 120.200 -0.304 0.000 2.110 489 E HA -0.192 4.125 4.350 -0.055 0.000 0.193 489 E C 1.529 177.949 176.600 -0.299 0.000 0.988 489 E CA 1.116 57.362 56.400 -0.257 0.000 0.804 489 E CB 0.140 29.705 29.700 -0.226 0.000 0.745 489 E HN 0.202 nan 8.360 nan 0.000 0.458 490 N N 0.386 118.927 118.700 -0.266 0.000 2.396 490 N HA -0.072 4.635 4.740 -0.055 0.000 0.180 490 N C 1.774 177.199 175.510 -0.141 0.000 1.028 490 N CA 0.569 53.441 53.050 -0.296 0.000 0.893 490 N CB -0.076 38.444 38.487 0.055 0.000 0.967 490 N HN 0.272 nan 8.380 nan 0.000 0.440 491 I N 1.203 121.712 120.570 -0.102 0.000 2.179 491 I HA -0.254 3.883 4.170 -0.055 0.000 0.242 491 I C 2.012 178.101 176.117 -0.046 0.000 1.088 491 I CA 1.167 62.462 61.300 -0.009 0.000 1.357 491 I CB 0.007 37.929 38.000 -0.131 0.000 1.051 491 I HN 0.083 nan 8.210 nan 0.000 0.409 492 K N 0.345 120.668 120.400 -0.128 0.000 2.057 492 K HA -0.162 4.125 4.320 -0.055 0.000 0.207 492 K C 2.182 178.674 176.600 -0.179 0.000 1.049 492 K CA 1.257 57.473 56.287 -0.119 0.000 0.931 492 K CB -0.155 32.263 32.500 -0.138 0.000 0.714 492 K HN 0.302 nan 8.250 nan 0.000 0.440 493 R N -0.045 120.280 120.500 -0.293 0.000 2.115 493 R HA -0.012 4.295 4.340 -0.055 0.000 0.230 493 R C 2.271 178.461 176.300 -0.182 0.000 1.111 493 R CA 0.909 56.798 56.100 -0.353 0.000 0.976 493 R CB -0.106 29.687 30.300 -0.844 0.000 0.870 493 R HN 0.155 nan 8.270 nan 0.000 0.445 494 M N -0.387 119.100 119.600 -0.189 0.000 2.099 494 M HA -0.026 4.421 4.480 -0.055 0.000 0.262 494 M C 2.377 178.299 176.300 -0.629 0.000 1.067 494 M CA 1.606 56.695 55.300 -0.352 0.000 1.124 494 M CB -1.216 31.002 32.600 -0.638 0.000 1.353 494 M HN 0.273 nan 8.290 nan 0.000 0.410 495 G N -0.308 108.118 108.800 -0.623 0.000 2.422 495 G HA2 -0.085 3.842 3.960 -0.055 0.000 0.218 495 G HA3 -0.085 3.842 3.960 -0.055 0.000 0.218 495 G C 1.637 176.488 174.900 -0.082 0.000 1.146 495 G CA 1.227 46.147 45.100 -0.301 0.000 0.769 495 G HN 0.543 nan 8.290 nan 0.000 0.547 496 A N 1.226 123.993 122.820 -0.088 0.000 1.877 496 A HA 0.238 4.526 4.320 -0.055 0.000 0.216 496 A C 2.803 180.383 177.584 -0.006 0.000 1.186 496 A CA 2.394 54.405 52.037 -0.043 0.000 0.620 496 A CB -0.813 18.144 19.000 -0.073 0.000 0.822 496 A HN 0.802 nan 8.150 nan 0.000 0.443 497 A N -2.101 120.721 122.820 0.004 0.000 1.968 497 A HA 0.053 4.340 4.320 -0.055 0.000 0.217 497 A C 2.052 179.698 177.584 0.103 0.000 1.169 497 A CA 1.282 53.340 52.037 0.034 0.000 0.638 497 A CB -0.654 18.356 19.000 0.015 0.000 0.812 497 A HN 0.524 nan 8.150 nan 0.000 0.446 498 Y N 0.381 120.617 120.300 -0.106 0.000 2.181 498 Y HA -0.171 4.346 4.550 -0.056 0.000 0.288 498 Y C 2.404 178.280 175.900 -0.040 0.000 1.146 498 Y CA 1.524 59.584 58.100 -0.067 0.000 1.164 498 Y CB -0.334 38.089 38.460 -0.062 0.000 0.982 498 Y HN 0.330 nan 8.280 nan 0.000 0.515 499 K N -0.011 120.467 120.400 0.129 0.000 2.032 499 K HA -0.168 4.119 4.320 -0.055 0.000 0.209 499 K C 2.004 178.613 176.600 0.015 0.000 1.048 499 K CA 1.853 58.174 56.287 0.056 0.000 0.927 499 K CB -0.444 32.081 32.500 0.041 0.000 0.712 499 K HN 0.152 nan 8.250 nan 0.000 0.441 500 V N 2.333 122.252 119.914 0.007 0.000 2.332 500 V HA -0.262 3.825 4.120 -0.055 0.000 0.248 500 V C 2.079 178.157 176.094 -0.027 0.000 1.055 500 V CA 1.936 64.229 62.300 -0.012 0.000 1.038 500 V CB -0.591 31.222 31.823 -0.017 0.000 0.651 500 V HN 0.438 nan 8.190 nan 0.000 0.450 501 N N -0.370 118.305 118.700 -0.042 0.000 2.309 501 N HA -0.143 4.564 4.740 -0.055 0.000 0.182 501 N C 2.056 177.524 175.510 -0.070 0.000 1.018 501 N CA 0.946 53.954 53.050 -0.071 0.000 0.876 501 N CB -0.074 38.336 38.487 -0.128 0.000 0.972 501 N HN 0.434 nan 8.380 nan 0.000 0.434 502 R N 1.125 121.591 120.500 -0.056 0.000 2.090 502 R HA -0.051 4.256 4.340 -0.055 0.000 0.228 502 R C 1.615 177.895 176.300 -0.034 0.000 1.110 502 R CA 0.917 56.988 56.100 -0.048 0.000 0.973 502 R CB 0.258 30.543 30.300 -0.025 0.000 0.869 502 R HN 0.105 nan 8.270 nan 0.000 0.440 503 E N 0.253 120.438 120.200 -0.025 0.000 2.017 503 E HA -0.151 4.166 4.350 -0.055 0.000 0.193 503 E C 2.109 178.694 176.600 -0.024 0.000 0.997 503 E CA 1.159 57.547 56.400 -0.021 0.000 0.804 503 E CB -0.748 28.942 29.700 -0.016 0.000 0.757 503 E HN 0.115 nan 8.360 nan 0.000 0.448 504 V N 1.932 121.830 119.914 -0.027 0.000 2.313 504 V HA -0.327 3.760 4.120 -0.055 0.000 0.253 504 V C 2.661 178.737 176.094 -0.029 0.000 1.070 504 V CA 2.389 64.673 62.300 -0.027 0.000 1.057 504 V CB -0.584 31.220 31.823 -0.031 0.000 0.653 504 V HN 0.243 nan 8.190 nan 0.000 0.450 505 R N 0.204 120.682 120.500 -0.037 0.000 2.061 505 R HA -0.191 4.116 4.340 -0.055 0.000 0.230 505 R C 2.631 178.914 176.300 -0.029 0.000 1.140 505 R CA 2.336 58.414 56.100 -0.037 0.000 0.940 505 R CB -0.788 29.483 30.300 -0.049 0.000 0.839 505 R HN 0.710 nan 8.270 nan 0.000 0.429 506 T N -1.963 112.574 114.554 -0.027 0.000 2.649 506 T HA -0.195 4.122 4.350 -0.055 0.000 0.268 506 T C 1.976 176.666 174.700 -0.018 0.000 1.036 506 T CA 1.653 63.740 62.100 -0.021 0.000 1.157 506 T CB -1.197 67.660 68.868 -0.019 0.000 0.861 506 T HN 0.480 nan 8.240 nan 0.000 0.445 507 G N 1.351 110.141 108.800 -0.018 0.000 2.408 507 G HA2 -0.087 3.840 3.960 -0.055 0.000 0.217 507 G HA3 -0.087 3.840 3.960 -0.055 0.000 0.217 507 G C 1.705 176.597 174.900 -0.014 0.000 1.150 507 G CA 0.688 45.779 45.100 -0.015 0.000 0.776 507 G HN 0.584 nan 8.290 nan 0.000 0.542 508 K N 0.640 121.030 120.400 -0.016 0.000 2.063 508 K HA -0.035 4.252 4.320 -0.055 0.000 0.208 508 K C 1.227 177.819 176.600 -0.013 0.000 1.048 508 K CA 0.717 56.995 56.287 -0.014 0.000 0.928 508 K CB -0.067 32.423 32.500 -0.017 0.000 0.713 508 K HN 0.462 nan 8.250 nan 0.000 0.442 509 E N 0.000 120.192 120.200 -0.014 0.000 2.725 509 E HA 0.000 4.317 4.350 -0.055 0.000 0.291 509 E CA 0.000 56.393 56.400 -0.012 0.000 0.976 509 E CB 0.000 29.692 29.700 -0.013 0.000 0.812 509 E HN 0.000 nan 8.360 nan 0.000 0.440