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 1l0l_1_C DATA FIRST_RESID 3 DATA SEQUENCE NIRKSHPLMK IVNNAFIDLP APSNISSWWN FGSLLGICLI LQILTGLFLA DATA SEQUENCE MHYTSDTTTA FSSVTHICRD VNYGWIIRYM HANGASMFFI CLYMHVGRGL DATA SEQUENCE YYGSYTFLET WNIGVILLLT VMATAFMGYV LPWGQMSFWG ATVITNLLSA DATA SEQUENCE IPYIGTNLVE WIWGGFSVDK ATLTRFFAFH FILPFIIMAI AMVHLLFLHE DATA SEQUENCE TGSNNPTGIS SDVDKIPFHP YYTIKDILGA LLLILALMLL VLFAPDLLGD DATA SEQUENCE PDNYTPANPL NTPPHIKPEW YFLFAYAILR SIPNKLGGVL ALAFSILILA DATA SEQUENCE LIPLLHTSKQ RSMMFRPLSQ CLFWALVADL LTLTWIGGQP VEHPYITIGQ DATA SEQUENCE LASVLYFLLI LVLMPTAGTI ENKLLKW 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.507 175.510 -0.005 0.000 1.280 3 N CA 0.000 53.043 53.050 -0.011 0.000 0.885 3 N CB 0.000 38.475 38.487 -0.020 0.000 1.341 4 I N 1.387 121.954 120.570 -0.004 0.000 2.378 4 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 4 I C 1.300 177.438 176.117 0.035 0.000 0.992 4 I CA -0.289 61.018 61.300 0.013 0.000 1.154 4 I CB 1.317 39.325 38.000 0.014 0.000 1.315 4 I HN 0.461 nan 8.210 nan 0.000 0.448 5 R N 4.300 124.821 120.500 0.035 0.000 2.189 5 R HA -0.091 4.249 4.340 -0.000 0.000 0.223 5 R C 1.325 177.654 176.300 0.048 0.000 1.092 5 R CA 1.255 57.383 56.100 0.048 0.000 0.989 5 R CB 0.033 30.351 30.300 0.030 0.000 0.876 5 R HN 0.556 nan 8.270 nan 0.000 0.457 6 K N -0.856 119.566 120.400 0.037 0.000 2.211 6 K HA 0.113 4.433 4.320 -0.000 0.000 0.201 6 K C 1.807 178.426 176.600 0.030 0.000 1.052 6 K CA 0.945 57.247 56.287 0.025 0.000 0.973 6 K CB 0.350 32.860 32.500 0.017 0.000 0.766 6 K HN -0.031 nan 8.250 nan 0.000 0.466 7 S N 0.135 115.865 115.700 0.049 0.000 2.427 7 S HA -0.051 4.419 4.470 -0.000 0.000 0.224 7 S C 0.555 175.213 174.600 0.097 0.000 1.047 7 S CA 0.038 58.271 58.200 0.054 0.000 0.953 7 S CB -0.252 62.975 63.200 0.046 0.000 0.824 7 S HN 0.321 nan 8.310 nan 0.000 0.502 8 H N 4.154 123.220 119.070 -0.006 0.000 3.157 8 H HA 0.104 4.660 4.556 -0.000 0.000 0.299 8 H C -2.061 173.263 175.328 -0.007 0.000 0.961 8 H CA -1.818 54.227 56.048 -0.005 0.000 1.428 8 H CB 0.500 30.260 29.762 -0.003 0.000 1.459 8 H HN -0.037 nan 8.280 nan 0.000 0.566 9 P HA -0.211 nan 4.420 nan 0.000 0.217 9 P C 1.503 178.630 177.300 -0.288 0.000 1.148 9 P CA 1.267 64.249 63.100 -0.196 0.000 0.834 9 P CB 0.302 31.909 31.700 -0.155 0.000 0.783 10 L N -2.363 118.508 121.223 -0.585 0.000 2.121 10 L HA 0.025 4.365 4.340 -0.000 0.000 0.200 10 L C 2.357 179.123 176.870 -0.173 0.000 1.077 10 L CA 0.951 55.570 54.840 -0.367 0.000 0.766 10 L CB -0.498 41.332 42.059 -0.381 0.000 0.931 10 L HN -0.078 nan 8.230 nan 0.000 0.452 11 M N 0.245 119.787 119.600 -0.096 0.000 2.358 11 M HA -0.220 4.260 4.480 -0.000 0.000 0.264 11 M C 2.166 178.476 176.300 0.016 0.000 1.064 11 M CA 1.333 56.660 55.300 0.045 0.000 1.093 11 M CB -0.588 32.098 32.600 0.143 0.000 1.401 11 M HN 0.249 nan 8.290 nan 0.000 0.440 12 K N 0.727 121.117 120.400 -0.017 0.000 2.103 12 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 12 K C 1.583 178.155 176.600 -0.047 0.000 1.048 12 K CA 1.331 57.603 56.287 -0.025 0.000 0.930 12 K CB -0.058 32.422 32.500 -0.032 0.000 0.716 12 K HN 0.186 nan 8.250 nan 0.000 0.444 13 I N 1.475 122.009 120.570 -0.059 0.000 2.202 13 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 13 I C 2.528 178.597 176.117 -0.080 0.000 1.091 13 I CA 0.789 62.046 61.300 -0.072 0.000 1.368 13 I CB -1.196 36.766 38.000 -0.063 0.000 1.058 13 I HN 0.023 nan 8.210 nan 0.000 0.410 14 V N 1.516 121.425 119.914 -0.009 0.000 2.287 14 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 14 V C 2.455 178.564 176.094 0.025 0.000 1.053 14 V CA 2.176 64.525 62.300 0.081 0.000 1.027 14 V CB -0.856 31.063 31.823 0.160 0.000 0.646 14 V HN 0.521 nan 8.190 nan 0.000 0.447 15 N N 0.235 118.940 118.700 0.009 0.000 2.104 15 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 15 N C 1.523 176.995 175.510 -0.064 0.000 1.024 15 N CA 1.476 54.526 53.050 0.001 0.000 0.853 15 N CB -0.074 38.416 38.487 0.006 0.000 1.008 15 N HN 0.470 nan 8.380 nan 0.000 0.424 16 N N 0.277 118.906 118.700 -0.118 0.000 2.457 16 N HA -0.010 4.730 4.740 -0.000 0.000 0.180 16 N C 1.087 176.382 175.510 -0.359 0.000 1.050 16 N CA 0.507 53.449 53.050 -0.181 0.000 0.906 16 N CB 0.098 38.502 38.487 -0.137 0.000 0.968 16 N HN 0.303 nan 8.380 nan 0.000 0.445 17 A N -1.036 121.515 122.820 -0.448 0.000 2.035 17 A HA 0.260 4.580 4.320 -0.000 0.000 0.208 17 A C 0.860 177.826 177.584 -1.030 0.000 1.206 17 A CA 0.371 51.930 52.037 -0.797 0.000 0.773 17 A CB 0.156 18.580 19.000 -0.961 0.000 0.878 17 A HN 0.147 nan 8.150 nan 0.000 0.469 18 F N -1.875 117.941 119.950 -0.224 0.000 2.871 18 F HA 0.422 4.949 4.527 -0.000 0.000 0.344 18 F C 1.286 177.179 175.800 0.154 0.000 1.078 18 F CA -0.306 57.576 58.000 -0.197 0.000 1.149 18 F CB 0.358 39.347 39.000 -0.019 0.000 1.087 18 F HN 0.058 nan 8.300 nan 0.000 0.557 19 I N -0.781 119.925 120.570 0.226 0.000 3.570 19 I HA 0.123 4.293 4.170 -0.000 0.000 0.270 19 I C 0.864 177.125 176.117 0.240 0.000 1.162 19 I CA 0.505 61.962 61.300 0.262 0.000 1.413 19 I CB 0.267 38.335 38.000 0.114 0.000 1.437 19 I HN -0.227 nan 8.210 nan 0.000 0.457 20 D N 0.824 121.296 120.400 0.121 0.000 2.407 20 D HA 0.161 4.801 4.640 -0.000 0.000 0.208 20 D C 0.473 176.814 176.300 0.068 0.000 1.083 20 D CA -0.132 53.927 54.000 0.099 0.000 0.844 20 D CB 0.412 41.243 40.800 0.050 0.000 0.967 20 D HN -0.043 nan 8.370 nan 0.000 0.506 21 L N 2.456 123.687 121.223 0.013 0.000 2.667 21 L HA 0.127 4.467 4.340 -0.000 0.000 0.278 21 L C -2.464 174.457 176.870 0.085 0.000 1.217 21 L CA -0.693 54.108 54.840 -0.065 0.000 0.935 21 L CB 0.096 41.996 42.059 -0.264 0.000 1.193 21 L HN -0.207 nan 8.230 nan 0.000 0.493 22 P HA 0.359 nan 4.420 nan 0.000 0.276 22 P C -1.220 176.150 177.300 0.118 0.000 1.235 22 P CA -0.099 63.057 63.100 0.093 0.000 0.772 22 P CB 1.148 32.876 31.700 0.046 0.000 0.871 23 A N 5.016 127.948 122.820 0.188 0.000 2.515 23 A HA 0.772 5.092 4.320 -0.000 0.000 0.296 23 A C -2.874 174.793 177.584 0.138 0.000 1.094 23 A CA -2.211 49.932 52.037 0.177 0.000 0.718 23 A CB 0.858 20.033 19.000 0.292 0.000 1.307 23 A HN 0.257 nan 8.150 nan 0.000 0.408 24 P HA 0.100 nan 4.420 nan 0.000 0.268 24 P C 0.963 178.289 177.300 0.042 0.000 1.204 24 P CA 0.340 63.430 63.100 -0.016 0.000 0.768 24 P CB 0.954 32.570 31.700 -0.140 0.000 0.842 25 S N 2.161 117.861 115.700 -0.000 0.000 2.442 25 S HA -0.200 4.270 4.470 -0.000 0.000 0.236 25 S C 1.086 175.665 174.600 -0.036 0.000 1.007 25 S CA 1.464 59.638 58.200 -0.043 0.000 0.965 25 S CB -1.171 61.973 63.200 -0.093 0.000 0.773 25 S HN 0.689 nan 8.310 nan 0.000 0.504 26 N N 1.160 119.818 118.700 -0.070 0.000 2.203 26 N HA 0.208 4.948 4.740 -0.000 0.000 0.207 26 N C 0.525 175.904 175.510 -0.219 0.000 1.130 26 N CA -0.510 52.474 53.050 -0.110 0.000 0.861 26 N CB -0.285 38.139 38.487 -0.105 0.000 1.005 26 N HN 0.650 nan 8.380 nan 0.000 0.507 27 I N -1.165 119.216 120.570 -0.315 0.000 2.775 27 I HA 0.119 4.289 4.170 -0.000 0.000 0.290 27 I C 0.293 176.273 176.117 -0.229 0.000 1.203 27 I CA -0.383 60.526 61.300 -0.651 0.000 1.433 27 I CB 0.854 38.286 38.000 -0.946 0.000 1.354 27 I HN -0.036 nan 8.210 nan 0.000 0.579 28 S N 3.302 118.923 115.700 -0.131 0.000 2.713 28 S HA 0.228 4.698 4.470 -0.000 0.000 0.277 28 S C 1.307 176.126 174.600 0.365 0.000 1.168 28 S CA -0.373 57.957 58.200 0.217 0.000 0.994 28 S CB 1.663 65.101 63.200 0.397 0.000 1.054 28 S HN 0.792 nan 8.310 nan 0.000 0.555 29 S N 0.285 116.115 115.700 0.216 0.000 2.400 29 S HA -0.137 4.333 4.470 -0.000 0.000 0.232 29 S C 1.352 176.035 174.600 0.139 0.000 1.025 29 S CA 1.415 59.648 58.200 0.057 0.000 0.993 29 S CB -0.402 62.706 63.200 -0.154 0.000 0.808 29 S HN 0.759 nan 8.310 nan 0.000 0.478 30 W N 0.572 122.153 121.300 0.468 0.000 2.387 30 W HA -0.041 4.619 4.660 -0.000 0.000 0.272 30 W C 1.823 178.598 176.519 0.426 0.000 1.224 30 W CA 0.047 57.693 57.345 0.501 0.000 1.210 30 W CB -0.276 29.389 29.460 0.342 0.000 1.125 30 W HN 0.386 nan 8.180 nan 0.000 0.572 31 W N 0.052 121.580 121.300 0.380 0.000 3.047 31 W HA -0.039 4.621 4.660 -0.000 0.000 0.250 31 W C 1.042 177.707 176.519 0.243 0.000 1.314 31 W CA 0.449 57.967 57.345 0.289 0.000 1.540 31 W CB -0.599 28.932 29.460 0.119 0.000 1.127 31 W HN -0.019 nan 8.180 nan 0.000 0.679 32 N N 0.267 119.132 118.700 0.276 0.000 2.381 32 N HA -0.139 4.601 4.740 -0.000 0.000 0.182 32 N C 1.250 176.735 175.510 -0.042 0.000 1.025 32 N CA 1.201 54.270 53.050 0.032 0.000 0.888 32 N CB -0.643 37.724 38.487 -0.200 0.000 0.965 32 N HN -0.037 nan 8.380 nan 0.000 0.438 33 F N 0.204 120.272 119.950 0.197 0.000 2.269 33 F HA -0.014 4.513 4.527 -0.000 0.000 0.301 33 F C 2.462 178.235 175.800 -0.046 0.000 1.082 33 F CA 0.939 59.016 58.000 0.127 0.000 1.360 33 F CB -0.795 38.345 39.000 0.234 0.000 1.041 33 F HN 0.082 nan 8.300 nan 0.000 0.512 34 G N -0.455 108.451 108.800 0.178 0.000 2.418 34 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 34 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 34 G C 1.803 176.723 174.900 0.032 0.000 1.158 34 G CA 1.100 46.191 45.100 -0.014 0.000 0.771 34 G HN 0.449 nan 8.290 nan 0.000 0.545 35 S N 0.360 116.123 115.700 0.105 0.000 2.406 35 S HA 0.091 4.561 4.470 -0.000 0.000 0.228 35 S C 2.333 176.921 174.600 -0.020 0.000 1.020 35 S CA 0.718 58.966 58.200 0.081 0.000 0.965 35 S CB -0.309 62.984 63.200 0.154 0.000 0.798 35 S HN 0.276 nan 8.310 nan 0.000 0.488 36 L N 0.608 121.801 121.223 -0.050 0.000 2.141 36 L HA 0.070 4.410 4.340 -0.000 0.000 0.209 36 L C 2.477 179.243 176.870 -0.173 0.000 1.094 36 L CA 0.835 55.614 54.840 -0.102 0.000 0.763 36 L CB -0.587 41.409 42.059 -0.106 0.000 0.908 36 L HN 0.308 nan 8.230 nan 0.000 0.437 37 L N -0.493 120.616 121.223 -0.190 0.000 2.201 37 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 37 L C 2.578 179.207 176.870 -0.402 0.000 1.105 37 L CA 1.101 55.722 54.840 -0.366 0.000 0.775 37 L CB -0.837 41.055 42.059 -0.279 0.000 0.913 37 L HN 0.293 nan 8.230 nan 0.000 0.440 38 G N 0.029 108.706 108.800 -0.205 0.000 2.396 38 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.214 38 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.214 38 G C 1.587 176.387 174.900 -0.167 0.000 1.166 38 G CA 0.244 45.261 45.100 -0.138 0.000 0.793 38 G HN 0.212 nan 8.290 nan 0.000 0.533 39 I N 0.500 120.973 120.570 -0.161 0.000 2.226 39 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 39 I C 2.788 178.776 176.117 -0.215 0.000 1.100 39 I CA 0.639 61.849 61.300 -0.150 0.000 1.374 39 I CB -0.356 37.573 38.000 -0.119 0.000 1.057 39 I HN 0.190 nan 8.210 nan 0.000 0.413 40 C N 0.308 119.393 119.300 -0.359 0.000 2.413 40 C HA -0.175 4.285 4.460 -0.000 0.000 0.276 40 C C 2.749 177.459 174.990 -0.467 0.000 1.248 40 C CA 0.650 59.367 59.018 -0.502 0.000 1.742 40 C CB -0.926 26.253 27.740 -0.935 0.000 2.017 40 C HN 0.501 nan 8.230 nan 0.000 0.481 41 L N 0.640 121.569 121.223 -0.490 0.000 2.056 41 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 41 L C 2.212 179.037 176.870 -0.075 0.000 1.078 41 L CA 1.922 56.641 54.840 -0.201 0.000 0.749 41 L CB -0.826 41.158 42.059 -0.125 0.000 0.901 41 L HN 0.183 nan 8.230 nan 0.000 0.433 42 I N -0.722 119.797 120.570 -0.085 0.000 2.226 42 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 42 I C 2.507 178.612 176.117 -0.021 0.000 1.100 42 I CA 1.167 62.449 61.300 -0.031 0.000 1.374 42 I CB -1.152 36.826 38.000 -0.037 0.000 1.057 42 I HN 0.336 nan 8.210 nan 0.000 0.413 43 L N 0.961 122.150 121.223 -0.056 0.000 1.970 43 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 43 L C 2.622 179.511 176.870 0.032 0.000 1.071 43 L CA 1.926 56.749 54.840 -0.030 0.000 0.751 43 L CB -0.761 41.262 42.059 -0.060 0.000 0.889 43 L HN 0.200 nan 8.230 nan 0.000 0.432 44 Q N -0.262 119.551 119.800 0.023 0.000 2.152 44 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 44 Q C 2.379 178.476 176.000 0.161 0.000 0.985 44 Q CA 2.266 58.124 55.803 0.090 0.000 0.863 44 Q CB -0.528 28.233 28.738 0.038 0.000 0.904 44 Q HN 0.638 nan 8.270 nan 0.000 0.422 45 I N 0.071 120.684 120.570 0.072 0.000 2.179 45 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 45 I C 2.233 178.406 176.117 0.092 0.000 1.088 45 I CA 0.860 62.197 61.300 0.062 0.000 1.357 45 I CB -0.238 37.817 38.000 0.092 0.000 1.051 45 I HN 0.128 nan 8.210 nan 0.000 0.409 46 L N 0.003 121.289 121.223 0.106 0.000 1.976 46 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 46 L C 2.880 179.871 176.870 0.201 0.000 1.071 46 L CA 2.186 57.119 54.840 0.155 0.000 0.746 46 L CB -1.162 40.938 42.059 0.069 0.000 0.890 46 L HN 0.401 nan 8.230 nan 0.000 0.432 47 T N -2.563 112.055 114.554 0.108 0.000 2.708 47 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 47 T C 1.989 176.680 174.700 -0.015 0.000 1.037 47 T CA 1.047 63.192 62.100 0.075 0.000 1.146 47 T CB -1.291 67.644 68.868 0.112 0.000 0.865 47 T HN 0.392 nan 8.240 nan 0.000 0.435 48 G N 2.171 110.940 108.800 -0.053 0.000 2.553 48 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 48 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 48 G C 1.459 176.266 174.900 -0.156 0.000 1.195 48 G CA 1.264 46.163 45.100 -0.336 0.000 0.779 48 G HN 0.502 nan 8.290 nan 0.000 0.577 49 L N -0.252 120.941 121.223 -0.050 0.000 1.978 49 L HA -0.075 4.265 4.340 -0.000 0.000 0.218 49 L C 2.682 179.562 176.870 0.017 0.000 1.075 49 L CA 1.973 56.796 54.840 -0.029 0.000 0.767 49 L CB -0.730 41.337 42.059 0.013 0.000 0.890 49 L HN 0.210 nan 8.230 nan 0.000 0.434 50 F N -0.735 119.195 119.950 -0.032 0.000 2.202 50 F HA -0.197 4.330 4.527 -0.000 0.000 0.301 50 F C 2.257 178.076 175.800 0.032 0.000 1.082 50 F CA 1.286 59.284 58.000 -0.004 0.000 1.313 50 F CB -0.742 38.262 39.000 0.006 0.000 1.024 50 F HN 0.060 nan 8.300 nan 0.000 0.495 51 L N -0.696 120.613 121.223 0.144 0.000 2.131 51 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 51 L C 2.586 179.536 176.870 0.133 0.000 1.092 51 L CA 1.051 55.946 54.840 0.091 0.000 0.759 51 L CB -0.969 41.031 42.059 -0.099 0.000 0.903 51 L HN 0.129 nan 8.230 nan 0.000 0.435 52 A N -0.553 122.348 122.820 0.135 0.000 2.119 52 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 52 A C 2.174 179.860 177.584 0.170 0.000 1.153 52 A CA 0.985 53.197 52.037 0.292 0.000 0.692 52 A CB -0.412 18.876 19.000 0.480 0.000 0.799 52 A HN 0.379 nan 8.150 nan 0.000 0.458 53 M N -1.057 118.517 119.600 -0.044 0.000 2.659 53 M HA 0.021 4.501 4.480 -0.000 0.000 0.243 53 M C 0.933 176.969 176.300 -0.441 0.000 1.111 53 M CA 0.769 55.897 55.300 -0.286 0.000 1.070 53 M CB 0.011 32.306 32.600 -0.509 0.000 1.525 53 M HN 0.466 nan 8.290 nan 0.000 0.517 54 H N -3.235 115.905 119.070 0.117 0.000 3.794 54 H HA 0.165 4.721 4.556 -0.000 0.000 0.258 54 H C -0.386 175.025 175.328 0.139 0.000 1.120 54 H CA -0.227 55.899 56.048 0.131 0.000 1.166 54 H CB 0.307 30.134 29.762 0.108 0.000 1.517 54 H HN 0.237 nan 8.280 nan 0.000 0.615 55 Y N 3.270 123.615 120.300 0.075 0.000 2.301 55 Y HA 0.342 4.892 4.550 -0.000 0.000 0.328 55 Y C 0.451 176.268 175.900 -0.138 0.000 1.242 55 Y CA -0.182 57.883 58.100 -0.058 0.000 1.323 55 Y CB 1.090 39.450 38.460 -0.167 0.000 1.266 55 Y HN -0.009 nan 8.280 nan 0.000 0.527 56 T N 1.257 115.244 114.554 -0.945 0.000 2.861 56 T HA 0.272 4.622 4.350 -0.000 0.000 0.287 56 T C 0.119 174.095 174.700 -1.206 0.000 1.003 56 T CA -0.293 61.340 62.100 -0.779 0.000 0.977 56 T CB 1.246 69.868 68.868 -0.410 0.000 0.996 56 T HN 0.696 nan 8.240 nan 0.000 0.448 57 S N 2.041 117.295 115.700 -0.743 0.000 2.671 57 S HA 0.161 4.631 4.470 -0.000 0.000 0.220 57 S C 0.089 174.472 174.600 -0.361 0.000 0.951 57 S CA -0.326 57.567 58.200 -0.511 0.000 0.932 57 S CB -0.629 62.474 63.200 -0.161 0.000 0.777 57 S HN 0.796 nan 8.310 nan 0.000 0.508 58 D N 0.721 120.904 120.400 -0.363 0.000 2.210 58 D HA 0.283 4.923 4.640 -0.000 0.000 0.249 58 D C 1.424 177.513 176.300 -0.352 0.000 1.062 58 D CA 0.190 54.011 54.000 -0.299 0.000 0.891 58 D CB 1.742 42.413 40.800 -0.215 0.000 1.186 58 D HN 0.093 nan 8.370 nan 0.000 0.432 59 T N 1.099 115.421 114.554 -0.388 0.000 2.680 59 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 59 T C 1.463 176.035 174.700 -0.213 0.000 1.033 59 T CA 2.642 64.465 62.100 -0.462 0.000 1.152 59 T CB -0.334 68.359 68.868 -0.292 0.000 0.859 59 T HN 0.521 nan 8.240 nan 0.000 0.452 60 T N 1.359 115.831 114.554 -0.137 0.000 2.612 60 T HA -0.079 4.271 4.350 -0.000 0.000 0.259 60 T C 2.253 176.923 174.700 -0.050 0.000 1.065 60 T CA 2.222 64.283 62.100 -0.066 0.000 1.167 60 T CB -1.294 67.531 68.868 -0.072 0.000 0.863 60 T HN 0.709 nan 8.240 nan 0.000 0.407 61 T N 0.332 114.827 114.554 -0.099 0.000 3.160 61 T HA 0.405 4.755 4.350 -0.000 0.000 0.257 61 T C 1.975 176.606 174.700 -0.116 0.000 1.147 61 T CA 0.700 62.745 62.100 -0.091 0.000 1.064 61 T CB -0.456 68.336 68.868 -0.128 0.000 0.949 61 T HN 0.349 nan 8.240 nan 0.000 0.526 62 A N 1.724 124.455 122.820 -0.149 0.000 1.841 62 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 62 A C 1.890 179.527 177.584 0.089 0.000 1.199 62 A CA 1.587 53.526 52.037 -0.163 0.000 0.621 62 A CB -1.396 17.520 19.000 -0.140 0.000 0.835 62 A HN 0.559 nan 8.150 nan 0.000 0.445 63 F N 0.921 120.906 119.950 0.058 0.000 2.161 63 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 63 F C 2.750 178.577 175.800 0.045 0.000 1.089 63 F CA 1.867 59.916 58.000 0.081 0.000 1.282 63 F CB -0.353 38.703 39.000 0.095 0.000 1.010 63 F HN 0.246 nan 8.300 nan 0.000 0.485 64 S N -0.556 115.331 115.700 0.311 0.000 2.368 64 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 64 S C 2.403 177.063 174.600 0.101 0.000 1.029 64 S CA 1.647 59.969 58.200 0.204 0.000 0.988 64 S CB -0.879 62.397 63.200 0.127 0.000 0.838 64 S HN 0.625 nan 8.310 nan 0.000 0.462 65 S N 0.888 116.614 115.700 0.043 0.000 2.382 65 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 65 S C 1.839 176.517 174.600 0.130 0.000 1.027 65 S CA 1.351 59.594 58.200 0.071 0.000 0.991 65 S CB -0.982 62.184 63.200 -0.057 0.000 0.823 65 S HN 0.356 nan 8.310 nan 0.000 0.469 66 V N 2.613 122.574 119.914 0.079 0.000 2.407 66 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 66 V C 3.211 179.281 176.094 -0.040 0.000 1.055 66 V CA 2.170 64.480 62.300 0.016 0.000 1.049 66 V CB -1.550 30.216 31.823 -0.093 0.000 0.662 66 V HN 0.872 nan 8.190 nan 0.000 0.455 67 T N -1.396 113.132 114.554 -0.044 0.000 2.904 67 T HA -0.271 4.078 4.350 -0.000 0.000 0.267 67 T C 1.915 176.654 174.700 0.065 0.000 1.059 67 T CA 1.651 63.751 62.100 0.000 0.000 1.137 67 T CB -0.629 68.263 68.868 0.039 0.000 0.879 67 T HN 0.724 nan 8.240 nan 0.000 0.467 68 H N 0.560 119.627 119.070 -0.004 0.000 2.353 68 H HA -0.066 4.490 4.556 -0.000 0.000 0.298 68 H C 2.147 177.453 175.328 -0.037 0.000 1.103 68 H CA 1.863 57.905 56.048 -0.011 0.000 1.293 68 H CB -0.250 29.506 29.762 -0.008 0.000 1.372 68 H HN 0.468 nan 8.280 nan 0.000 0.501 69 I N 0.305 120.754 120.570 -0.201 0.000 2.202 69 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 69 I C 2.763 178.780 176.117 -0.166 0.000 1.091 69 I CA 1.099 62.234 61.300 -0.274 0.000 1.368 69 I CB -0.287 37.644 38.000 -0.116 0.000 1.058 69 I HN 0.365 nan 8.210 nan 0.000 0.410 70 C N 0.287 119.542 119.300 -0.074 0.000 2.448 70 C HA -0.021 4.439 4.460 -0.000 0.000 0.280 70 C C 2.697 177.708 174.990 0.034 0.000 1.398 70 C CA 0.634 59.655 59.018 0.005 0.000 1.774 70 C CB -1.334 26.426 27.740 0.033 0.000 1.888 70 C HN 0.449 nan 8.230 nan 0.000 0.519 71 R N -0.243 120.251 120.500 -0.010 0.000 2.167 71 R HA 0.080 4.420 4.340 -0.000 0.000 0.195 71 R C 1.374 177.654 176.300 -0.033 0.000 1.027 71 R CA 0.539 56.636 56.100 -0.005 0.000 1.114 71 R CB -0.142 30.173 30.300 0.024 0.000 1.075 71 R HN 0.348 nan 8.270 nan 0.000 0.538 72 D N 0.864 121.216 120.400 -0.079 0.000 2.214 72 D HA -0.026 4.614 4.640 -0.000 0.000 0.217 72 D C 0.533 176.718 176.300 -0.191 0.000 0.973 72 D CA 0.799 54.744 54.000 -0.092 0.000 0.880 72 D CB -0.036 40.800 40.800 0.059 0.000 1.031 72 D HN -0.007 nan 8.370 nan 0.000 0.468 73 V N 1.278 120.945 119.914 -0.412 0.000 2.529 73 V HA 0.084 4.204 4.120 -0.000 0.000 0.292 73 V C 0.317 176.287 176.094 -0.207 0.000 1.028 73 V CA -0.772 61.292 62.300 -0.393 0.000 1.074 73 V CB -0.484 30.875 31.823 -0.773 0.000 0.958 73 V HN 0.041 nan 8.190 nan 0.000 0.481 74 N N 3.926 122.557 118.700 -0.115 0.000 2.315 74 N HA -0.025 4.715 4.740 -0.000 0.000 0.270 74 N C -0.259 175.268 175.510 0.028 0.000 1.329 74 N CA 0.643 53.655 53.050 -0.063 0.000 0.860 74 N CB -0.235 38.300 38.487 0.081 0.000 1.095 74 N HN 0.921 nan 8.380 nan 0.000 0.487 75 Y N -0.920 119.317 120.300 -0.106 0.000 4.538 75 Y HA -0.286 4.264 4.550 -0.000 0.000 0.225 75 Y C 1.777 177.417 175.900 -0.434 0.000 1.074 75 Y CA 0.388 58.275 58.100 -0.355 0.000 1.942 75 Y CB -1.919 36.341 38.460 -0.333 0.000 1.618 75 Y HN 0.777 nan 8.280 nan 0.000 0.642 76 G N 0.778 109.483 108.800 -0.158 0.000 2.440 76 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 76 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 76 G C 1.383 176.137 174.900 -0.243 0.000 1.154 76 G CA 1.073 46.068 45.100 -0.175 0.000 0.767 76 G HN 0.796 nan 8.290 nan 0.000 0.552 77 W N 0.698 121.843 121.300 -0.258 0.000 2.318 77 W HA -0.086 4.574 4.660 -0.000 0.000 0.313 77 W C 1.986 178.184 176.519 -0.534 0.000 1.221 77 W CA 0.836 57.890 57.345 -0.484 0.000 1.266 77 W CB -1.198 28.093 29.460 -0.281 0.000 1.150 77 W HN 0.246 nan 8.180 nan 0.000 0.496 78 I N 0.980 120.887 120.570 -1.105 0.000 2.315 78 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 78 I C 2.626 178.517 176.117 -0.378 0.000 1.117 78 I CA 1.418 62.221 61.300 -0.828 0.000 1.404 78 I CB -0.216 37.116 38.000 -1.112 0.000 1.071 78 I HN -0.153 nan 8.210 nan 0.000 0.419 79 I N 0.083 120.445 120.570 -0.346 0.000 2.286 79 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 79 I C 2.641 178.694 176.117 -0.106 0.000 1.104 79 I CA 0.764 61.950 61.300 -0.189 0.000 1.397 79 I CB -0.492 37.415 38.000 -0.155 0.000 1.072 79 I HN 0.197 nan 8.210 nan 0.000 0.417 80 R N 0.642 121.031 120.500 -0.184 0.000 2.081 80 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 80 R C 2.263 178.602 176.300 0.065 0.000 1.131 80 R CA 1.857 57.889 56.100 -0.113 0.000 0.960 80 R CB -0.355 29.807 30.300 -0.229 0.000 0.856 80 R HN 0.294 nan 8.270 nan 0.000 0.436 81 Y N -0.005 120.359 120.300 0.105 0.000 2.314 81 Y HA -0.020 4.530 4.550 -0.000 0.000 0.293 81 Y C 2.378 178.335 175.900 0.094 0.000 1.129 81 Y CA 0.736 58.910 58.100 0.123 0.000 1.201 81 Y CB -0.610 37.947 38.460 0.161 0.000 0.999 81 Y HN -0.018 nan 8.280 nan 0.000 0.541 82 M N -1.353 118.362 119.600 0.192 0.000 2.132 82 M HA -0.211 4.269 4.480 -0.000 0.000 0.263 82 M C 2.092 178.478 176.300 0.144 0.000 1.065 82 M CA 1.748 57.119 55.300 0.117 0.000 1.122 82 M CB -0.493 32.127 32.600 0.034 0.000 1.365 82 M HN 0.235 nan 8.290 nan 0.000 0.411 83 H N 0.350 119.457 119.070 0.062 0.000 2.253 83 H HA -0.114 4.442 4.556 -0.000 0.000 0.296 83 H C 1.987 177.383 175.328 0.113 0.000 1.074 83 H CA 2.492 58.584 56.048 0.074 0.000 1.263 83 H CB -0.289 29.511 29.762 0.064 0.000 1.363 83 H HN 0.329 nan 8.280 nan 0.000 0.489 84 A N 0.678 123.629 122.820 0.217 0.000 1.873 84 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 84 A C 2.250 179.903 177.584 0.116 0.000 1.193 84 A CA 2.091 54.234 52.037 0.176 0.000 0.629 84 A CB -0.643 18.505 19.000 0.246 0.000 0.826 84 A HN 0.609 nan 8.150 nan 0.000 0.447 85 N N -0.142 118.630 118.700 0.120 0.000 2.381 85 N HA -0.086 4.654 4.740 -0.000 0.000 0.182 85 N C 1.716 177.243 175.510 0.029 0.000 1.025 85 N CA 1.166 54.256 53.050 0.067 0.000 0.888 85 N CB -0.493 38.043 38.487 0.081 0.000 0.965 85 N HN 0.533 nan 8.380 nan 0.000 0.438 86 G N 0.618 109.433 108.800 0.024 0.000 2.421 86 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.217 86 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.217 86 G C 1.647 176.554 174.900 0.012 0.000 1.143 86 G CA 0.794 45.892 45.100 -0.004 0.000 0.784 86 G HN 0.384 nan 8.290 nan 0.000 0.541 87 A N 0.557 123.374 122.820 -0.005 0.000 1.969 87 A HA 0.088 4.408 4.320 -0.000 0.000 0.218 87 A C 2.646 180.250 177.584 0.033 0.000 1.169 87 A CA 2.099 54.153 52.037 0.029 0.000 0.635 87 A CB -0.453 18.568 19.000 0.035 0.000 0.810 87 A HN 0.292 nan 8.150 nan 0.000 0.445 88 S N -0.635 115.049 115.700 -0.027 0.000 2.357 88 S HA -0.096 4.374 4.470 -0.000 0.000 0.221 88 S C 2.100 176.605 174.600 -0.159 0.000 1.031 88 S CA 1.506 59.593 58.200 -0.187 0.000 0.982 88 S CB -0.292 62.736 63.200 -0.287 0.000 0.853 88 S HN 0.473 nan 8.310 nan 0.000 0.458 89 M N 0.525 120.092 119.600 -0.054 0.000 2.080 89 M HA -0.065 4.415 4.480 -0.000 0.000 0.260 89 M C 1.876 178.207 176.300 0.052 0.000 1.068 89 M CA 1.328 56.631 55.300 0.004 0.000 1.109 89 M CB -1.606 30.997 32.600 0.005 0.000 1.342 89 M HN 0.289 nan 8.290 nan 0.000 0.405 90 F N 0.614 120.478 119.950 -0.143 0.000 2.120 90 F HA -0.232 4.295 4.527 -0.000 0.000 0.300 90 F C 2.145 177.730 175.800 -0.358 0.000 1.095 90 F CA 1.403 59.259 58.000 -0.240 0.000 1.249 90 F CB -0.837 37.976 39.000 -0.311 0.000 0.995 90 F HN -0.006 nan 8.300 nan 0.000 0.480 91 F N -0.373 119.472 119.950 -0.175 0.000 2.259 91 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 91 F C 2.419 178.004 175.800 -0.359 0.000 1.088 91 F CA 0.935 58.657 58.000 -0.463 0.000 1.358 91 F CB -0.536 38.071 39.000 -0.656 0.000 1.040 91 F HN -0.113 nan 8.300 nan 0.000 0.505 92 I N -0.980 119.632 120.570 0.070 0.000 2.179 92 I HA -0.357 3.813 4.170 -0.000 0.000 0.242 92 I C 2.284 178.504 176.117 0.171 0.000 1.088 92 I CA 1.097 62.534 61.300 0.228 0.000 1.357 92 I CB -0.619 37.520 38.000 0.231 0.000 1.051 92 I HN 0.228 nan 8.210 nan 0.000 0.409 93 C N 0.182 119.571 119.300 0.148 0.000 2.453 93 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 93 C C 2.626 177.677 174.990 0.101 0.000 1.262 93 C CA 0.025 59.156 59.018 0.188 0.000 1.718 93 C CB -0.969 26.918 27.740 0.245 0.000 2.031 93 C HN 0.425 nan 8.230 nan 0.000 0.480 94 L N 0.438 121.682 121.223 0.035 0.000 1.997 94 L HA -0.182 4.158 4.340 -0.000 0.000 0.216 94 L C 2.484 179.490 176.870 0.225 0.000 1.074 94 L CA 2.127 56.993 54.840 0.045 0.000 0.763 94 L CB -1.850 40.102 42.059 -0.179 0.000 0.890 94 L HN 0.335 nan 8.230 nan 0.000 0.434 95 Y N -1.192 119.200 120.300 0.153 0.000 2.097 95 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 95 Y C 2.670 178.598 175.900 0.046 0.000 1.152 95 Y CA 0.780 58.952 58.100 0.120 0.000 1.136 95 Y CB -1.002 37.569 38.460 0.185 0.000 0.975 95 Y HN 0.131 nan 8.280 nan 0.000 0.498 96 M N -0.848 118.822 119.600 0.117 0.000 2.065 96 M HA -0.244 4.236 4.480 -0.000 0.000 0.259 96 M C 2.148 178.440 176.300 -0.013 0.000 1.069 96 M CA 1.892 57.138 55.300 -0.090 0.000 1.110 96 M CB -1.770 30.294 32.600 -0.893 0.000 1.328 96 M HN 0.331 nan 8.290 nan 0.000 0.405 97 H N 0.218 119.239 119.070 -0.082 0.000 2.319 97 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 97 H C 2.030 177.425 175.328 0.113 0.000 1.092 97 H CA 1.968 58.058 56.048 0.069 0.000 1.302 97 H CB -0.068 29.772 29.762 0.129 0.000 1.373 97 H HN 0.094 nan 8.280 nan 0.000 0.497 98 V N -0.393 119.639 119.914 0.197 0.000 2.548 98 V HA -0.130 3.990 4.120 -0.000 0.000 0.249 98 V C 2.609 178.815 176.094 0.186 0.000 1.055 98 V CA 1.624 64.031 62.300 0.178 0.000 1.065 98 V CB -0.916 30.997 31.823 0.151 0.000 0.681 98 V HN 0.693 nan 8.190 nan 0.000 0.462 99 G N -0.154 108.715 108.800 0.115 0.000 2.404 99 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 99 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 99 G C 1.722 176.625 174.900 0.005 0.000 1.174 99 G CA 0.641 45.796 45.100 0.091 0.000 0.780 99 G HN 0.299 nan 8.290 nan 0.000 0.537 100 R N 1.208 121.661 120.500 -0.078 0.000 2.096 100 R HA -0.082 4.258 4.340 -0.000 0.000 0.240 100 R C 2.691 178.970 176.300 -0.036 0.000 1.139 100 R CA 2.104 58.124 56.100 -0.134 0.000 0.952 100 R CB -1.354 28.864 30.300 -0.136 0.000 0.854 100 R HN 0.291 nan 8.270 nan 0.000 0.436 101 G N 1.100 109.910 108.800 0.016 0.000 2.440 101 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 101 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 101 G C 1.782 176.762 174.900 0.133 0.000 1.154 101 G CA 0.872 46.050 45.100 0.130 0.000 0.767 101 G HN 0.320 nan 8.290 nan 0.000 0.552 102 L N -1.241 120.058 121.223 0.126 0.000 1.988 102 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 102 L C 2.531 179.356 176.870 -0.076 0.000 1.071 102 L CA 1.461 56.325 54.840 0.041 0.000 0.744 102 L CB -0.782 41.320 42.059 0.070 0.000 0.893 102 L HN 0.228 nan 8.230 nan 0.000 0.433 103 Y N -0.028 119.970 120.300 -0.503 0.000 2.081 103 Y HA -0.330 4.220 4.550 -0.000 0.000 0.280 103 Y C 2.107 177.571 175.900 -0.725 0.000 1.163 103 Y CA 1.788 59.273 58.100 -1.025 0.000 1.135 103 Y CB -0.284 37.201 38.460 -1.625 0.000 0.970 103 Y HN 0.074 nan 8.280 nan 0.000 0.498 104 Y N -0.024 120.221 120.300 -0.091 0.000 2.471 104 Y HA 0.240 4.790 4.550 -0.000 0.000 0.286 104 Y C 1.848 177.643 175.900 -0.176 0.000 1.188 104 Y CA 0.351 58.413 58.100 -0.064 0.000 1.286 104 Y CB -0.096 38.441 38.460 0.128 0.000 1.072 104 Y HN 0.301 nan 8.280 nan 0.000 0.517 105 G N -0.831 107.882 108.800 -0.145 0.000 2.168 105 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.263 105 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.263 105 G C 1.361 175.753 174.900 -0.847 0.000 0.977 105 G CA 0.703 45.463 45.100 -0.568 0.000 0.659 105 G HN 0.378 nan 8.290 nan 0.000 0.533 106 S N -0.267 115.189 115.700 -0.408 0.000 2.465 106 S HA -0.155 4.315 4.470 -0.000 0.000 0.241 106 S C 1.858 176.204 174.600 -0.424 0.000 1.000 106 S CA 1.787 59.761 58.200 -0.377 0.000 0.964 106 S CB -0.479 62.686 63.200 -0.057 0.000 0.763 106 S HN 1.027 nan 8.310 nan 0.000 0.512 107 Y N 0.680 120.657 120.300 -0.539 0.000 2.651 107 Y HA 0.073 4.623 4.550 -0.000 0.000 0.296 107 Y C 2.253 177.840 175.900 -0.521 0.000 1.150 107 Y CA 0.770 58.358 58.100 -0.854 0.000 1.348 107 Y CB -1.409 35.917 38.460 -1.890 0.000 0.983 107 Y HN 0.132 nan 8.280 nan 0.000 0.555 108 T N -0.140 113.930 114.554 -0.807 0.000 3.035 108 T HA -0.047 4.303 4.350 -0.000 0.000 0.268 108 T C 0.043 174.599 174.700 -0.240 0.000 1.109 108 T CA 0.139 61.889 62.100 -0.582 0.000 1.119 108 T CB -0.691 67.722 68.868 -0.759 0.000 0.900 108 T HN 0.210 nan 8.240 nan 0.000 0.503 109 F N 2.704 122.584 119.950 -0.117 0.000 2.651 109 F HA 0.297 4.824 4.527 -0.000 0.000 0.347 109 F C 1.070 176.891 175.800 0.035 0.000 1.284 109 F CA -1.519 56.471 58.000 -0.017 0.000 1.175 109 F CB -0.547 38.473 39.000 0.032 0.000 1.542 109 F HN 0.042 nan 8.300 nan 0.000 0.661 110 L N 1.776 123.100 121.223 0.168 0.000 1.976 110 L HA -0.271 4.069 4.340 -0.000 0.000 0.223 110 L C 2.114 179.050 176.870 0.110 0.000 1.081 110 L CA 1.981 56.900 54.840 0.131 0.000 0.784 110 L CB -0.878 41.216 42.059 0.059 0.000 0.896 110 L HN 0.418 nan 8.230 nan 0.000 0.438 111 E N -1.365 118.795 120.200 -0.067 0.000 2.058 111 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 111 E C 2.099 178.575 176.600 -0.207 0.000 0.997 111 E CA 1.895 58.081 56.400 -0.358 0.000 0.801 111 E CB -0.545 28.510 29.700 -1.075 0.000 0.746 111 E HN 0.653 nan 8.360 nan 0.000 0.450 112 T N -0.686 113.856 114.554 -0.021 0.000 2.867 112 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 112 T C 1.592 176.476 174.700 0.306 0.000 1.057 112 T CA 0.974 63.136 62.100 0.103 0.000 1.136 112 T CB -0.340 68.521 68.868 -0.011 0.000 0.874 112 T HN 0.480 nan 8.240 nan 0.000 0.466 113 W N 2.022 123.411 121.300 0.148 0.000 2.379 113 W HA -0.063 4.597 4.660 -0.000 0.000 0.307 113 W C 1.815 178.408 176.519 0.123 0.000 1.200 113 W CA 1.191 58.641 57.345 0.175 0.000 1.297 113 W CB -0.669 28.889 29.460 0.163 0.000 1.140 113 W HN 0.401 nan 8.180 nan 0.000 0.507 114 N N 0.483 119.293 118.700 0.183 0.000 2.149 114 N HA -0.233 4.507 4.740 -0.000 0.000 0.188 114 N C 1.771 177.255 175.510 -0.042 0.000 1.019 114 N CA 1.663 54.728 53.050 0.026 0.000 0.857 114 N CB -0.266 38.252 38.487 0.051 0.000 0.997 114 N HN 0.024 nan 8.380 nan 0.000 0.426 115 I N 0.887 121.470 120.570 0.023 0.000 2.252 115 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 115 I C 2.609 178.681 176.117 -0.076 0.000 1.102 115 I CA 1.032 62.357 61.300 0.042 0.000 1.385 115 I CB -1.526 36.597 38.000 0.206 0.000 1.064 115 I HN 0.175 nan 8.210 nan 0.000 0.414 116 G N 1.003 109.752 108.800 -0.085 0.000 2.469 116 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 116 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 116 G C 1.817 176.540 174.900 -0.295 0.000 1.150 116 G CA 1.092 46.023 45.100 -0.282 0.000 0.763 116 G HN 0.275 nan 8.290 nan 0.000 0.561 117 V N 1.536 121.248 119.914 -0.337 0.000 2.343 117 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 117 V C 2.814 178.815 176.094 -0.156 0.000 1.051 117 V CA 1.233 63.371 62.300 -0.270 0.000 1.036 117 V CB -0.386 31.290 31.823 -0.246 0.000 0.654 117 V HN 0.281 nan 8.190 nan 0.000 0.451 118 I N -0.215 120.279 120.570 -0.127 0.000 2.163 118 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 118 I C 2.416 178.467 176.117 -0.111 0.000 1.085 118 I CA 1.835 63.081 61.300 -0.089 0.000 1.347 118 I CB -1.131 36.834 38.000 -0.057 0.000 1.044 118 I HN 0.286 nan 8.210 nan 0.000 0.408 119 L N -0.124 121.009 121.223 -0.150 0.000 2.127 119 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 119 L C 2.570 179.332 176.870 -0.180 0.000 1.089 119 L CA 0.858 55.597 54.840 -0.168 0.000 0.757 119 L CB -0.563 41.359 42.059 -0.229 0.000 0.899 119 L HN 0.231 nan 8.230 nan 0.000 0.434 120 L N -0.368 120.755 121.223 -0.166 0.000 2.005 120 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 120 L C 2.300 179.102 176.870 -0.114 0.000 1.072 120 L CA 1.712 56.465 54.840 -0.145 0.000 0.744 120 L CB -0.298 41.713 42.059 -0.080 0.000 0.895 120 L HN 0.077 nan 8.230 nan 0.000 0.433 121 L N -1.151 120.027 121.223 -0.076 0.000 2.083 121 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 121 L C 2.344 179.170 176.870 -0.072 0.000 1.083 121 L CA 1.652 56.465 54.840 -0.045 0.000 0.752 121 L CB -1.184 40.855 42.059 -0.034 0.000 0.899 121 L HN 0.265 nan 8.230 nan 0.000 0.433 122 T N -0.584 113.907 114.554 -0.103 0.000 2.746 122 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 122 T C 1.946 176.548 174.700 -0.163 0.000 1.039 122 T CA 1.659 63.691 62.100 -0.113 0.000 1.142 122 T CB -0.298 68.507 68.868 -0.105 0.000 0.866 122 T HN 0.320 nan 8.240 nan 0.000 0.444 123 V N 0.537 120.289 119.914 -0.271 0.000 2.548 123 V HA -0.054 4.066 4.120 -0.000 0.000 0.249 123 V C 2.096 178.025 176.094 -0.276 0.000 1.055 123 V CA 1.505 63.539 62.300 -0.445 0.000 1.065 123 V CB -0.675 30.584 31.823 -0.940 0.000 0.681 123 V HN 0.471 nan 8.190 nan 0.000 0.462 124 M N 0.399 119.932 119.600 -0.111 0.000 2.175 124 M HA 0.016 4.496 4.480 -0.000 0.000 0.264 124 M C 2.464 178.827 176.300 0.105 0.000 1.063 124 M CA 2.043 57.427 55.300 0.139 0.000 1.119 124 M CB -0.535 32.164 32.600 0.165 0.000 1.377 124 M HN 0.521 nan 8.290 nan 0.000 0.415 125 A N -0.146 122.690 122.820 0.028 0.000 1.902 125 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 125 A C 2.183 179.821 177.584 0.089 0.000 1.181 125 A CA 2.228 54.298 52.037 0.055 0.000 0.623 125 A CB -1.152 17.838 19.000 -0.017 0.000 0.818 125 A HN 0.427 nan 8.150 nan 0.000 0.443 126 T N 0.266 114.832 114.554 0.019 0.000 2.708 126 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 126 T C 2.239 177.061 174.700 0.203 0.000 1.037 126 T CA 1.771 63.902 62.100 0.051 0.000 1.146 126 T CB -0.479 68.319 68.868 -0.117 0.000 0.865 126 T HN 0.599 nan 8.240 nan 0.000 0.435 127 A N 1.212 124.129 122.820 0.162 0.000 1.902 127 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 127 A C 1.987 179.739 177.584 0.280 0.000 1.181 127 A CA 1.426 53.611 52.037 0.247 0.000 0.623 127 A CB -0.970 18.216 19.000 0.310 0.000 0.818 127 A HN 0.467 nan 8.150 nan 0.000 0.443 128 F N 1.232 121.244 119.950 0.102 0.000 2.025 128 F HA -0.285 4.242 4.527 -0.000 0.000 0.297 128 F C 2.353 178.227 175.800 0.123 0.000 1.132 128 F CA 2.341 60.381 58.000 0.067 0.000 1.191 128 F CB -0.580 38.399 39.000 -0.034 0.000 0.963 128 F HN 0.193 nan 8.300 nan 0.000 0.481 129 M N 0.439 119.836 119.600 -0.339 0.000 2.106 129 M HA -0.157 4.323 4.480 -0.000 0.000 0.259 129 M C 2.487 178.645 176.300 -0.237 0.000 1.068 129 M CA 1.693 56.729 55.300 -0.440 0.000 1.100 129 M CB -2.167 30.277 32.600 -0.260 0.000 1.351 129 M HN 0.397 nan 8.290 nan 0.000 0.404 130 G N -0.321 108.302 108.800 -0.294 0.000 2.480 130 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 130 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 130 G C 1.415 176.219 174.900 -0.160 0.000 1.200 130 G CA 0.873 45.597 45.100 -0.626 0.000 0.782 130 G HN 0.444 nan 8.290 nan 0.000 0.554 131 Y N 1.172 121.425 120.300 -0.080 0.000 2.241 131 Y HA -0.143 4.407 4.550 -0.000 0.000 0.286 131 Y C 2.863 178.779 175.900 0.025 0.000 1.166 131 Y CA 1.376 59.483 58.100 0.011 0.000 1.203 131 Y CB -0.069 38.444 38.460 0.088 0.000 0.977 131 Y HN 0.053 nan 8.280 nan 0.000 0.529 132 V N -0.797 119.159 119.914 0.070 0.000 2.548 132 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 132 V C 2.248 178.435 176.094 0.153 0.000 1.055 132 V CA 1.042 63.413 62.300 0.117 0.000 1.065 132 V CB -0.803 31.124 31.823 0.173 0.000 0.681 132 V HN 0.290 nan 8.190 nan 0.000 0.462 133 L N 0.305 121.550 121.223 0.037 0.000 2.085 133 L HA -0.172 4.168 4.340 -0.000 0.000 0.218 133 L C -0.076 176.868 176.870 0.122 0.000 1.080 133 L CA 2.416 57.258 54.840 0.003 0.000 0.776 133 L CB -2.376 39.500 42.059 -0.305 0.000 0.891 133 L HN 0.389 nan 8.230 nan 0.000 0.437 134 P HA -0.151 nan 4.420 nan 0.000 0.245 134 P C 0.362 177.851 177.300 0.316 0.000 1.212 134 P CA 0.101 63.258 63.100 0.096 0.000 0.774 134 P CB -0.196 31.423 31.700 -0.136 0.000 0.999 135 W N 0.053 121.383 121.300 0.050 0.000 5.538 135 W HA -0.170 4.490 4.660 -0.000 0.000 0.377 135 W C 0.198 176.823 176.519 0.175 0.000 1.406 135 W CA -0.096 57.313 57.345 0.106 0.000 0.940 135 W CB -1.294 28.232 29.460 0.109 0.000 2.536 135 W HN -0.018 nan 8.180 nan 0.000 1.504 136 G N 0.467 109.375 108.800 0.181 0.000 2.588 136 G HA2 0.141 4.101 3.960 -0.000 0.000 0.281 136 G HA3 0.141 4.101 3.960 -0.000 0.000 0.281 136 G C 0.613 175.531 174.900 0.030 0.000 1.236 136 G CA 0.057 45.259 45.100 0.170 0.000 0.969 136 G HN 0.204 nan 8.290 nan 0.000 0.504 137 Q N -0.883 118.978 119.800 0.101 0.000 2.030 137 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 137 Q C 2.772 178.947 176.000 0.291 0.000 0.986 137 Q CA 1.257 57.170 55.803 0.184 0.000 0.843 137 Q CB -0.274 28.603 28.738 0.231 0.000 0.904 137 Q HN 0.461 nan 8.270 nan 0.000 0.420 138 M N 0.207 119.964 119.600 0.262 0.000 2.132 138 M HA -0.085 4.395 4.480 -0.000 0.000 0.263 138 M C 2.235 178.723 176.300 0.313 0.000 1.065 138 M CA 1.119 56.619 55.300 0.333 0.000 1.122 138 M CB -1.170 31.655 32.600 0.376 0.000 1.365 138 M HN 0.037 nan 8.290 nan 0.000 0.411 139 S N 0.799 116.571 115.700 0.121 0.000 2.359 139 S HA -0.199 4.271 4.470 -0.000 0.000 0.223 139 S C 1.778 176.405 174.600 0.045 0.000 1.039 139 S CA 1.629 59.855 58.200 0.042 0.000 1.042 139 S CB -0.748 62.397 63.200 -0.092 0.000 0.915 139 S HN 0.456 nan 8.310 nan 0.000 0.439 140 F N 0.711 120.482 119.950 -0.297 0.000 2.075 140 F HA -0.090 4.437 4.527 -0.000 0.000 0.297 140 F C 1.924 177.459 175.800 -0.442 0.000 1.113 140 F CA 1.349 58.966 58.000 -0.637 0.000 1.218 140 F CB -0.437 37.887 39.000 -1.127 0.000 0.984 140 F HN 0.208 nan 8.300 nan 0.000 0.472 141 W N 0.276 121.640 121.300 0.107 0.000 2.418 141 W HA 0.066 4.726 4.660 -0.000 0.000 0.292 141 W C 2.665 179.223 176.519 0.064 0.000 1.213 141 W CA 1.049 58.439 57.345 0.076 0.000 1.283 141 W CB -1.164 28.394 29.460 0.163 0.000 1.119 141 W HN 0.116 nan 8.180 nan 0.000 0.542 142 G N 0.544 109.526 108.800 0.303 0.000 2.446 142 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 142 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 142 G C 1.678 176.766 174.900 0.313 0.000 1.168 142 G CA 1.513 46.782 45.100 0.281 0.000 0.771 142 G HN 0.291 nan 8.290 nan 0.000 0.551 143 A N 0.093 123.078 122.820 0.274 0.000 1.940 143 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 143 A C 2.515 180.232 177.584 0.222 0.000 1.176 143 A CA 2.498 54.752 52.037 0.361 0.000 0.631 143 A CB -0.864 18.179 19.000 0.072 0.000 0.814 143 A HN 0.316 nan 8.150 nan 0.000 0.446 144 T N -0.631 113.899 114.554 -0.041 0.000 2.812 144 T HA -0.063 4.287 4.350 -0.000 0.000 0.264 144 T C 1.898 176.735 174.700 0.230 0.000 1.042 144 T CA 1.406 63.524 62.100 0.031 0.000 1.140 144 T CB -0.307 68.479 68.868 -0.135 0.000 0.870 144 T HN 0.176 nan 8.240 nan 0.000 0.445 145 V N 1.406 121.461 119.914 0.236 0.000 2.229 145 V HA -0.115 4.005 4.120 -0.000 0.000 0.243 145 V C 2.387 178.580 176.094 0.166 0.000 1.042 145 V CA 1.514 63.951 62.300 0.228 0.000 1.000 145 V CB -0.597 31.373 31.823 0.246 0.000 0.637 145 V HN 0.429 nan 8.190 nan 0.000 0.446 146 I N -0.054 120.572 120.570 0.093 0.000 2.151 146 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 146 I C 2.600 178.675 176.117 -0.071 0.000 1.080 146 I CA 2.039 63.277 61.300 -0.103 0.000 1.339 146 I CB -0.555 37.127 38.000 -0.530 0.000 1.039 146 I HN 0.341 nan 8.210 nan 0.000 0.409 147 T N 0.478 115.091 114.554 0.098 0.000 2.720 147 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 147 T C 1.699 176.407 174.700 0.013 0.000 1.037 147 T CA 1.324 63.503 62.100 0.130 0.000 1.144 147 T CB -0.306 68.775 68.868 0.354 0.000 0.864 147 T HN 0.295 nan 8.240 nan 0.000 0.444 148 N N 1.138 119.903 118.700 0.108 0.000 2.443 148 N HA 0.018 4.758 4.740 -0.000 0.000 0.184 148 N C 1.756 177.284 175.510 0.029 0.000 1.037 148 N CA 0.476 53.575 53.050 0.081 0.000 0.896 148 N CB -0.353 38.254 38.487 0.200 0.000 0.959 148 N HN 0.407 nan 8.380 nan 0.000 0.442 149 L N 0.587 121.823 121.223 0.022 0.000 2.043 149 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 149 L C 2.176 179.036 176.870 -0.017 0.000 1.075 149 L CA 1.009 55.856 54.840 0.011 0.000 0.752 149 L CB -0.509 41.551 42.059 0.003 0.000 0.891 149 L HN 0.154 nan 8.230 nan 0.000 0.432 150 L N -0.328 120.866 121.223 -0.048 0.000 2.127 150 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 150 L C 2.807 179.638 176.870 -0.066 0.000 1.089 150 L CA 1.418 56.220 54.840 -0.064 0.000 0.757 150 L CB -0.761 41.244 42.059 -0.090 0.000 0.899 150 L HN 0.442 nan 8.230 nan 0.000 0.434 151 S N 0.122 115.780 115.700 -0.070 0.000 2.469 151 S HA -0.132 4.338 4.470 -0.000 0.000 0.238 151 S C 2.052 176.644 174.600 -0.012 0.000 0.998 151 S CA 0.791 58.962 58.200 -0.049 0.000 0.957 151 S CB -0.228 62.959 63.200 -0.022 0.000 0.764 151 S HN 0.370 nan 8.310 nan 0.000 0.514 152 A N 1.543 124.360 122.820 -0.005 0.000 2.014 152 A HA 0.308 4.628 4.320 -0.000 0.000 0.218 152 A C 1.053 178.638 177.584 0.002 0.000 1.163 152 A CA 0.218 52.257 52.037 0.004 0.000 0.652 152 A CB -0.730 18.273 19.000 0.005 0.000 0.808 152 A HN 0.634 nan 8.150 nan 0.000 0.449 153 I N 1.731 122.297 120.570 -0.007 0.000 2.828 153 I HA -0.001 4.168 4.170 -0.000 0.000 0.292 153 I C -2.150 173.977 176.117 0.016 0.000 1.206 153 I CA -1.284 60.015 61.300 -0.002 0.000 1.420 153 I CB 0.288 38.279 38.000 -0.015 0.000 1.368 153 I HN 0.100 nan 8.210 nan 0.000 0.556 154 P HA -0.080 nan 4.420 nan 0.000 0.267 154 P C 0.313 177.703 177.300 0.150 0.000 1.200 154 P CA 0.345 63.488 63.100 0.072 0.000 0.772 154 P CB 0.315 32.049 31.700 0.057 0.000 0.855 155 Y N 1.869 122.160 120.300 -0.016 0.000 2.832 155 Y HA -0.376 4.174 4.550 -0.000 0.000 0.490 155 Y C 1.132 177.019 175.900 -0.021 0.000 1.101 155 Y CA 2.209 60.300 58.100 -0.016 0.000 2.919 155 Y CB -1.579 36.870 38.460 -0.019 0.000 0.865 155 Y HN 0.384 nan 8.280 nan 0.000 0.549 156 I N -1.785 118.764 120.570 -0.035 0.000 4.018 156 I HA 0.452 4.622 4.170 -0.000 0.000 0.337 156 I C 2.009 178.067 176.117 -0.098 0.000 1.327 156 I CA 0.570 61.789 61.300 -0.136 0.000 1.100 156 I CB -0.154 37.804 38.000 -0.070 0.000 1.025 156 I HN 0.287 nan 8.210 nan 0.000 0.396 157 G N 2.429 111.194 108.800 -0.057 0.000 2.529 157 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.219 157 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.219 157 G C 1.713 176.566 174.900 -0.078 0.000 1.177 157 G CA 2.310 47.377 45.100 -0.055 0.000 0.773 157 G HN 0.534 nan 8.290 nan 0.000 0.573 158 T N -0.586 113.929 114.554 -0.065 0.000 2.942 158 T HA -0.071 4.279 4.350 -0.000 0.000 0.265 158 T C 2.122 176.785 174.700 -0.061 0.000 1.062 158 T CA 1.487 63.554 62.100 -0.056 0.000 1.139 158 T CB -0.382 68.488 68.868 0.004 0.000 0.883 158 T HN 0.290 nan 8.240 nan 0.000 0.468 159 N N 1.506 120.163 118.700 -0.071 0.000 2.289 159 N HA 0.049 4.789 4.740 -0.000 0.000 0.184 159 N C 1.552 177.057 175.510 -0.009 0.000 1.016 159 N CA 0.614 53.636 53.050 -0.046 0.000 0.872 159 N CB -0.635 37.802 38.487 -0.084 0.000 0.973 159 N HN 0.294 nan 8.380 nan 0.000 0.433 160 L N 0.559 121.746 121.223 -0.060 0.000 2.044 160 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 160 L C 2.017 178.871 176.870 -0.026 0.000 1.075 160 L CA 0.805 55.620 54.840 -0.040 0.000 0.747 160 L CB -0.385 41.614 42.059 -0.099 0.000 0.903 160 L HN 0.091 nan 8.230 nan 0.000 0.435 161 V N -2.798 116.979 119.914 -0.228 0.000 2.295 161 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 161 V C 2.179 177.868 176.094 -0.675 0.000 1.049 161 V CA 1.870 63.793 62.300 -0.629 0.000 1.024 161 V CB -1.269 29.983 31.823 -0.953 0.000 0.648 161 V HN 0.488 nan 8.190 nan 0.000 0.447 162 E N -0.548 119.509 120.200 -0.238 0.000 2.110 162 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 162 E C 1.818 178.511 176.600 0.155 0.000 0.988 162 E CA 1.680 58.162 56.400 0.137 0.000 0.804 162 E CB -0.297 29.448 29.700 0.075 0.000 0.745 162 E HN 0.803 nan 8.360 nan 0.000 0.458 163 W N 1.422 122.688 121.300 -0.056 0.000 2.354 163 W HA -0.134 4.526 4.660 -0.000 0.000 0.315 163 W C 1.911 178.457 176.519 0.045 0.000 1.206 163 W CA 1.307 58.647 57.345 -0.008 0.000 1.290 163 W CB -0.238 29.203 29.460 -0.033 0.000 1.152 163 W HN -0.090 nan 8.180 nan 0.000 0.489 164 I N -0.412 120.299 120.570 0.235 0.000 2.614 164 I HA -0.279 3.891 4.170 -0.000 0.000 0.258 164 I C 1.941 178.151 176.117 0.154 0.000 1.189 164 I CA 0.750 62.129 61.300 0.133 0.000 1.462 164 I CB -0.462 37.666 38.000 0.212 0.000 1.092 164 I HN 0.129 nan 8.210 nan 0.000 0.442 165 W N 0.559 121.891 121.300 0.054 0.000 2.443 165 W HA 0.174 4.834 4.660 -0.000 0.000 0.296 165 W C 1.893 178.375 176.519 -0.062 0.000 1.202 165 W CA 1.255 58.601 57.345 0.001 0.000 1.312 165 W CB -1.028 28.439 29.460 0.012 0.000 1.120 165 W HN 0.270 nan 8.180 nan 0.000 0.536 166 G N 0.506 109.391 108.800 0.141 0.000 2.182 166 G HA2 0.087 4.047 3.960 -0.000 0.000 0.248 166 G HA3 0.087 4.047 3.960 -0.000 0.000 0.248 166 G C 0.350 175.277 174.900 0.045 0.000 1.042 166 G CA 0.464 45.568 45.100 0.006 0.000 0.775 166 G HN 0.716 nan 8.290 nan 0.000 0.501 167 G N -2.019 106.835 108.800 0.091 0.000 2.435 167 G HA2 0.534 4.494 3.960 -0.000 0.000 0.228 167 G HA3 0.534 4.494 3.960 -0.000 0.000 0.228 167 G C -0.092 174.799 174.900 -0.015 0.000 1.198 167 G CA 0.137 45.264 45.100 0.045 0.000 0.948 167 G HN 0.424 nan 8.290 nan 0.000 0.487 168 F N 1.755 121.735 119.950 0.050 0.000 2.678 168 F HA 0.549 5.076 4.527 -0.000 0.000 0.305 168 F C 1.186 176.794 175.800 -0.320 0.000 1.090 168 F CA 0.585 58.603 58.000 0.030 0.000 1.272 168 F CB 1.061 40.070 39.000 0.015 0.000 1.060 168 F HN 0.667 nan 8.300 nan 0.000 0.576 169 S N -1.876 113.480 115.700 -0.574 0.000 2.645 169 S HA 0.317 4.787 4.470 -0.000 0.000 0.268 169 S C -0.987 172.908 174.600 -1.175 0.000 1.110 169 S CA -1.180 56.214 58.200 -1.344 0.000 0.823 169 S CB 0.509 63.376 63.200 -0.555 0.000 1.091 169 S HN -0.255 nan 8.310 nan 0.000 0.466 170 V N 2.591 121.788 119.914 -1.194 0.000 2.479 170 V HA 0.303 4.423 4.120 -0.000 0.000 0.284 170 V C 0.181 176.254 176.094 -0.037 0.000 0.981 170 V CA 1.086 63.081 62.300 -0.509 0.000 1.139 170 V CB -0.914 30.603 31.823 -0.510 0.000 0.947 170 V HN 0.852 nan 8.190 nan 0.000 0.468 171 D N 2.809 123.222 120.400 0.021 0.000 2.664 171 D HA 0.274 4.914 4.640 -0.000 0.000 0.292 171 D C 0.851 177.142 176.300 -0.015 0.000 1.214 171 D CA -0.869 53.208 54.000 0.127 0.000 0.932 171 D CB 1.674 42.498 40.800 0.040 0.000 1.420 171 D HN 0.240 nan 8.370 nan 0.000 0.471 172 K N 0.245 120.600 120.400 -0.074 0.000 2.324 172 K HA -0.377 3.943 4.320 -0.000 0.000 0.215 172 K C 1.726 178.220 176.600 -0.175 0.000 0.924 172 K CA 3.048 59.229 56.287 -0.177 0.000 0.953 172 K CB -0.566 31.871 32.500 -0.106 0.000 1.058 172 K HN 0.409 nan 8.250 nan 0.000 0.504 173 A N -0.291 122.469 122.820 -0.100 0.000 1.948 173 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 173 A C 2.223 179.754 177.584 -0.087 0.000 1.177 173 A CA 2.848 54.838 52.037 -0.078 0.000 0.636 173 A CB -1.237 17.739 19.000 -0.040 0.000 0.815 173 A HN 0.750 nan 8.150 nan 0.000 0.449 174 T N -2.141 112.343 114.554 -0.117 0.000 2.812 174 T HA -0.106 4.244 4.350 -0.000 0.000 0.264 174 T C 1.797 176.285 174.700 -0.354 0.000 1.042 174 T CA 1.414 63.377 62.100 -0.229 0.000 1.140 174 T CB -0.517 68.183 68.868 -0.280 0.000 0.870 174 T HN 0.258 nan 8.240 nan 0.000 0.445 175 L N 1.852 122.855 121.223 -0.366 0.000 2.079 175 L HA -0.010 4.330 4.340 -0.000 0.000 0.210 175 L C 2.531 179.346 176.870 -0.092 0.000 1.081 175 L CA 2.132 56.761 54.840 -0.352 0.000 0.752 175 L CB -1.207 40.396 42.059 -0.760 0.000 0.896 175 L HN 0.327 nan 8.230 nan 0.000 0.433 176 T N 0.306 114.803 114.554 -0.096 0.000 2.770 176 T HA -0.163 4.187 4.350 -0.000 0.000 0.263 176 T C 1.836 176.570 174.700 0.056 0.000 1.039 176 T CA 1.549 63.654 62.100 0.008 0.000 1.142 176 T CB -0.277 68.558 68.868 -0.055 0.000 0.868 176 T HN 0.540 nan 8.240 nan 0.000 0.435 177 R N 0.327 120.836 120.500 0.015 0.000 2.092 177 R HA -0.009 4.331 4.340 -0.000 0.000 0.231 177 R C 1.877 178.237 176.300 0.100 0.000 1.119 177 R CA 1.291 57.335 56.100 -0.093 0.000 0.970 177 R CB -0.821 29.481 30.300 0.002 0.000 0.864 177 R HN 0.234 nan 8.270 nan 0.000 0.440 178 F N 0.800 120.803 119.950 0.089 0.000 2.216 178 F HA -0.067 4.460 4.527 -0.000 0.000 0.300 178 F C 2.096 178.026 175.800 0.217 0.000 1.085 178 F CA 0.156 58.274 58.000 0.196 0.000 1.326 178 F CB -0.786 38.271 39.000 0.096 0.000 1.027 178 F HN -0.023 nan 8.300 nan 0.000 0.497 179 F N 0.774 120.847 119.950 0.204 0.000 2.134 179 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 179 F C 2.252 178.157 175.800 0.174 0.000 1.097 179 F CA 1.048 59.160 58.000 0.186 0.000 1.264 179 F CB -1.004 38.111 39.000 0.191 0.000 1.001 179 F HN -0.082 nan 8.300 nan 0.000 0.479 180 A N 0.213 122.965 122.820 -0.112 0.000 1.845 180 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 180 A C 2.126 179.610 177.584 -0.167 0.000 1.195 180 A CA 1.756 53.592 52.037 -0.335 0.000 0.616 180 A CB -1.588 17.145 19.000 -0.446 0.000 0.832 180 A HN 0.342 nan 8.150 nan 0.000 0.443 181 F N -0.453 119.523 119.950 0.044 0.000 2.202 181 F HA -0.132 4.395 4.527 -0.000 0.000 0.301 181 F C 2.215 178.026 175.800 0.018 0.000 1.082 181 F CA 1.557 59.568 58.000 0.018 0.000 1.313 181 F CB -1.112 37.880 39.000 -0.012 0.000 1.024 181 F HN 0.538 nan 8.300 nan 0.000 0.495 182 H N -1.449 117.701 119.070 0.134 0.000 2.495 182 H HA -0.128 4.428 4.556 -0.000 0.000 0.287 182 H C 1.968 177.291 175.328 -0.008 0.000 1.033 182 H CA 1.170 57.255 56.048 0.060 0.000 1.307 182 H CB -0.262 29.564 29.762 0.107 0.000 1.401 182 H HN 0.165 nan 8.280 nan 0.000 0.555 183 F N -0.282 119.551 119.950 -0.195 0.000 2.219 183 F HA 0.033 4.560 4.527 -0.000 0.000 0.294 183 F C 2.203 177.733 175.800 -0.450 0.000 1.086 183 F CA 0.935 58.740 58.000 -0.325 0.000 1.330 183 F CB -0.295 38.495 39.000 -0.350 0.000 1.047 183 F HN 0.249 nan 8.300 nan 0.000 0.495 184 I N -0.737 119.865 120.570 0.054 0.000 2.500 184 I HA -0.187 3.983 4.170 -0.000 0.000 0.252 184 I C 2.166 178.203 176.117 -0.134 0.000 1.142 184 I CA 0.654 61.977 61.300 0.039 0.000 1.451 184 I CB -0.175 37.920 38.000 0.159 0.000 1.093 184 I HN 0.112 nan 8.210 nan 0.000 0.430 185 L N 1.412 122.554 121.223 -0.134 0.000 2.013 185 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 185 L C -0.409 176.337 176.870 -0.208 0.000 1.073 185 L CA 2.055 56.816 54.840 -0.132 0.000 0.753 185 L CB -1.960 40.036 42.059 -0.104 0.000 0.890 185 L HN 0.231 nan 8.230 nan 0.000 0.432 186 P HA -0.155 nan 4.420 nan 0.000 0.220 186 P C 1.266 178.445 177.300 -0.201 0.000 1.148 186 P CA 1.315 64.226 63.100 -0.315 0.000 0.803 186 P CB -0.022 31.425 31.700 -0.423 0.000 0.782 187 F N -1.020 118.925 119.950 -0.008 0.000 2.128 187 F HA -0.040 4.487 4.527 -0.000 0.000 0.295 187 F C 2.299 178.108 175.800 0.015 0.000 1.100 187 F CA 0.412 58.420 58.000 0.013 0.000 1.260 187 F CB -1.752 37.271 39.000 0.038 0.000 1.009 187 F HN -0.162 nan 8.300 nan 0.000 0.476 188 I N -0.006 120.647 120.570 0.138 0.000 2.264 188 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 188 I C 2.379 178.523 176.117 0.044 0.000 1.111 188 I CA 1.289 62.638 61.300 0.082 0.000 1.382 188 I CB -0.471 37.559 38.000 0.051 0.000 1.060 188 I HN 0.098 nan 8.210 nan 0.000 0.418 189 I N 0.106 120.681 120.570 0.009 0.000 2.127 189 I HA -0.374 3.796 4.170 -0.000 0.000 0.241 189 I C 2.700 178.837 176.117 0.033 0.000 1.075 189 I CA 1.656 62.954 61.300 -0.003 0.000 1.334 189 I CB -0.307 37.676 38.000 -0.028 0.000 1.040 189 I HN 0.278 nan 8.210 nan 0.000 0.405 190 M N 0.664 120.302 119.600 0.064 0.000 2.108 190 M HA -0.281 4.199 4.480 -0.000 0.000 0.257 190 M C 2.328 178.671 176.300 0.072 0.000 1.071 190 M CA 2.360 57.708 55.300 0.081 0.000 1.093 190 M CB -0.141 32.531 32.600 0.119 0.000 1.345 190 M HN 0.319 nan 8.290 nan 0.000 0.403 191 A N 0.509 123.373 122.820 0.073 0.000 1.873 191 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 191 A C 1.889 179.507 177.584 0.056 0.000 1.186 191 A CA 1.483 53.556 52.037 0.060 0.000 0.616 191 A CB -0.842 18.194 19.000 0.060 0.000 0.823 191 A HN 0.546 nan 8.150 nan 0.000 0.442 192 I N 0.278 120.878 120.570 0.051 0.000 2.248 192 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 192 I C 2.864 179.025 176.117 0.073 0.000 1.107 192 I CA 1.548 62.880 61.300 0.053 0.000 1.373 192 I CB -1.618 36.392 38.000 0.017 0.000 1.055 192 I HN 0.377 nan 8.210 nan 0.000 0.418 193 A N 0.341 123.195 122.820 0.057 0.000 1.930 193 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 193 A C 2.382 180.039 177.584 0.122 0.000 1.175 193 A CA 1.374 53.464 52.037 0.088 0.000 0.627 193 A CB -0.476 18.560 19.000 0.060 0.000 0.815 193 A HN 0.353 nan 8.150 nan 0.000 0.443 194 M N -0.892 118.752 119.600 0.073 0.000 2.175 194 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 194 M C 1.984 178.292 176.300 0.012 0.000 1.063 194 M CA 1.081 56.400 55.300 0.031 0.000 1.119 194 M CB -0.260 32.352 32.600 0.020 0.000 1.377 194 M HN 0.236 nan 8.290 nan 0.000 0.415 195 V N -0.657 119.294 119.914 0.061 0.000 2.515 195 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 195 V C 2.204 178.414 176.094 0.195 0.000 1.058 195 V CA 1.979 64.329 62.300 0.083 0.000 1.064 195 V CB -0.869 31.034 31.823 0.134 0.000 0.675 195 V HN 0.462 nan 8.190 nan 0.000 0.461 196 H N -0.226 118.898 119.070 0.089 0.000 2.293 196 H HA -0.136 4.420 4.556 -0.000 0.000 0.300 196 H C 1.907 177.255 175.328 0.032 0.000 1.082 196 H CA 1.909 58.023 56.048 0.109 0.000 1.308 196 H CB -0.214 29.593 29.762 0.076 0.000 1.375 196 H HN 0.238 nan 8.280 nan 0.000 0.495 197 L N -0.042 121.154 121.223 -0.044 0.000 2.191 197 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 197 L C 2.280 178.823 176.870 -0.545 0.000 1.103 197 L CA 1.182 55.818 54.840 -0.341 0.000 0.769 197 L CB -0.853 41.038 42.059 -0.280 0.000 0.908 197 L HN 0.435 nan 8.230 nan 0.000 0.438 198 L N -1.838 119.204 121.223 -0.302 0.000 2.023 198 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 198 L C 2.242 178.943 176.870 -0.281 0.000 1.073 198 L CA 1.707 56.360 54.840 -0.312 0.000 0.745 198 L CB -0.745 41.137 42.059 -0.296 0.000 0.900 198 L HN 0.104 nan 8.230 nan 0.000 0.435 199 F N -0.642 119.213 119.950 -0.159 0.000 2.161 199 F HA -0.222 4.305 4.527 -0.000 0.000 0.300 199 F C 2.282 177.948 175.800 -0.224 0.000 1.089 199 F CA 1.736 59.652 58.000 -0.141 0.000 1.282 199 F CB -0.760 38.191 39.000 -0.082 0.000 1.010 199 F HN 0.168 nan 8.300 nan 0.000 0.485 200 L N -0.408 120.740 121.223 -0.125 0.000 2.083 200 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 200 L C 2.266 179.045 176.870 -0.151 0.000 1.083 200 L CA 2.021 56.715 54.840 -0.244 0.000 0.752 200 L CB -0.914 40.999 42.059 -0.242 0.000 0.899 200 L HN 0.238 nan 8.230 nan 0.000 0.433 201 H N -1.778 117.187 119.070 -0.175 0.000 2.491 201 H HA -0.127 4.429 4.556 -0.000 0.000 0.290 201 H C 1.878 177.116 175.328 -0.150 0.000 1.050 201 H CA 0.579 56.529 56.048 -0.164 0.000 1.309 201 H CB 0.366 30.026 29.762 -0.170 0.000 1.392 201 H HN 0.338 nan 8.280 nan 0.000 0.554 202 E N 0.289 120.469 120.200 -0.033 0.000 2.130 202 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 202 E C 2.204 178.761 176.600 -0.072 0.000 0.998 202 E CA 1.965 58.334 56.400 -0.051 0.000 0.806 202 E CB 0.079 29.759 29.700 -0.032 0.000 0.738 202 E HN 0.589 nan 8.360 nan 0.000 0.459 203 T N -4.691 109.766 114.554 -0.163 0.000 2.959 203 T HA 0.447 4.797 4.350 -0.000 0.000 0.254 203 T C 0.934 175.572 174.700 -0.102 0.000 1.003 203 T CA 0.321 62.328 62.100 -0.155 0.000 0.950 203 T CB 0.385 69.062 68.868 -0.319 0.000 1.090 203 T HN 0.321 nan 8.240 nan 0.000 0.503 204 G N 1.273 110.005 108.800 -0.114 0.000 2.828 204 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.463 204 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.463 204 G C -0.330 174.599 174.900 0.048 0.000 1.394 204 G CA -0.442 44.651 45.100 -0.011 0.000 0.862 204 G HN 0.602 nan 8.290 nan 0.000 0.540 205 S N -0.225 115.566 115.700 0.152 0.000 2.585 205 S HA 0.365 4.835 4.470 -0.000 0.000 0.273 205 S C 1.028 175.838 174.600 0.350 0.000 1.339 205 S CA 0.169 58.546 58.200 0.296 0.000 1.028 205 S CB 0.867 64.201 63.200 0.223 0.000 0.906 205 S HN 0.830 nan 8.310 nan 0.000 0.528 206 N N 0.762 119.762 118.700 0.500 0.000 2.476 206 N HA 0.330 5.070 4.740 -0.000 0.000 0.287 206 N C -0.575 175.009 175.510 0.123 0.000 1.262 206 N CA -0.538 52.691 53.050 0.297 0.000 0.980 206 N CB 0.568 39.178 38.487 0.205 0.000 1.163 206 N HN 0.826 nan 8.380 nan 0.000 0.592 207 N N -2.013 116.678 118.700 -0.014 0.000 2.934 207 N HA 0.399 5.139 4.740 -0.000 0.000 0.253 207 N C -2.650 172.696 175.510 -0.273 0.000 1.466 207 N CA -1.096 51.689 53.050 -0.442 0.000 0.858 207 N CB 1.728 39.984 38.487 -0.385 0.000 1.459 207 N HN 0.128 nan 8.380 nan 0.000 0.532 208 P HA -0.241 nan 4.420 nan 0.000 0.218 208 P C 1.059 178.392 177.300 0.055 0.000 1.152 208 P CA 2.323 65.296 63.100 -0.213 0.000 0.857 208 P CB -0.197 31.422 31.700 -0.135 0.000 0.787 209 T N -5.517 109.021 114.554 -0.028 0.000 3.067 209 T HA 0.193 4.543 4.350 -0.000 0.000 0.261 209 T C 1.664 176.376 174.700 0.020 0.000 1.110 209 T CA 0.812 62.892 62.100 -0.033 0.000 1.113 209 T CB -1.119 67.820 68.868 0.119 0.000 0.917 209 T HN 0.262 nan 8.240 nan 0.000 0.499 210 G N 1.272 110.093 108.800 0.035 0.000 2.168 210 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.263 210 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.263 210 G C 0.031 174.948 174.900 0.028 0.000 0.977 210 G CA 0.410 45.521 45.100 0.018 0.000 0.659 210 G HN 0.680 nan 8.290 nan 0.000 0.533 211 I N 1.340 121.948 120.570 0.063 0.000 2.412 211 I HA 0.341 4.511 4.170 -0.000 0.000 0.296 211 I C 0.862 177.003 176.117 0.039 0.000 0.987 211 I CA -0.826 60.515 61.300 0.069 0.000 1.180 211 I CB 1.747 39.819 38.000 0.120 0.000 1.340 211 I HN 0.038 nan 8.210 nan 0.000 0.455 212 S N 2.929 118.649 115.700 0.034 0.000 2.573 212 S HA -0.045 4.425 4.470 -0.000 0.000 0.297 212 S C 1.022 175.639 174.600 0.029 0.000 1.280 212 S CA -0.153 58.067 58.200 0.034 0.000 1.061 212 S CB 0.361 63.581 63.200 0.034 0.000 0.812 212 S HN 0.817 nan 8.310 nan 0.000 0.500 213 S N 0.957 116.671 115.700 0.024 0.000 2.557 213 S HA 0.104 4.573 4.470 -0.000 0.000 0.223 213 S C 0.576 175.187 174.600 0.018 0.000 0.969 213 S CA -0.447 57.760 58.200 0.012 0.000 0.927 213 S CB 0.078 63.273 63.200 -0.008 0.000 0.806 213 S HN 0.603 nan 8.310 nan 0.000 0.489 214 D N 2.464 122.879 120.400 0.025 0.000 2.354 214 D HA -0.078 4.562 4.640 -0.000 0.000 0.216 214 D C 1.838 178.149 176.300 0.018 0.000 0.970 214 D CA 1.095 55.109 54.000 0.023 0.000 0.905 214 D CB -0.080 40.735 40.800 0.024 0.000 0.903 214 D HN 0.596 nan 8.370 nan 0.000 0.508 215 V N -2.409 117.514 119.914 0.015 0.000 3.647 215 V HA 0.165 4.285 4.120 -0.000 0.000 0.279 215 V C 0.469 176.567 176.094 0.007 0.000 1.314 215 V CA 0.271 62.578 62.300 0.012 0.000 1.125 215 V CB 0.362 32.193 31.823 0.012 0.000 0.907 215 V HN -0.178 nan 8.190 nan 0.000 0.434 216 D N 0.356 120.759 120.400 0.005 0.000 3.078 216 D HA 0.213 4.853 4.640 -0.000 0.000 0.363 216 D C -0.086 176.212 176.300 -0.004 0.000 1.391 216 D CA -0.239 53.758 54.000 -0.005 0.000 0.754 216 D CB 0.327 41.119 40.800 -0.013 0.000 1.238 216 D HN 0.099 nan 8.370 nan 0.000 0.500 217 K N 0.586 120.993 120.400 0.013 0.000 2.185 217 K HA 0.509 4.829 4.320 -0.000 0.000 0.271 217 K C 0.611 177.233 176.600 0.037 0.000 1.013 217 K CA -0.382 55.925 56.287 0.033 0.000 0.943 217 K CB 1.232 33.758 32.500 0.044 0.000 0.998 217 K HN 0.459 nan 8.250 nan 0.000 0.468 218 I N -1.281 119.331 120.570 0.070 0.000 3.042 218 I HA 0.558 4.728 4.170 -0.000 0.000 0.310 218 I C -2.680 173.554 176.117 0.196 0.000 1.117 218 I CA -3.070 58.279 61.300 0.082 0.000 1.003 218 I CB 2.396 40.352 38.000 -0.073 0.000 1.228 218 I HN 0.206 nan 8.210 nan 0.000 0.443 219 P HA 0.184 nan 4.420 nan 0.000 0.279 219 P C 0.128 177.642 177.300 0.357 0.000 1.239 219 P CA -0.133 63.127 63.100 0.267 0.000 0.789 219 P CB 0.574 32.396 31.700 0.204 0.000 0.933 220 F N 1.506 121.615 119.950 0.266 0.000 2.250 220 F HA -0.173 4.354 4.527 -0.000 0.000 0.301 220 F C 1.278 177.250 175.800 0.286 0.000 1.077 220 F CA 1.380 59.598 58.000 0.363 0.000 1.348 220 F CB 0.013 39.183 39.000 0.284 0.000 1.040 220 F HN 0.357 nan 8.300 nan 0.000 0.509 221 H N 0.975 120.188 119.070 0.239 0.000 2.680 221 H HA 0.266 4.822 4.556 -0.000 0.000 0.260 221 H C -2.413 172.841 175.328 -0.124 0.000 1.328 221 H CA -1.553 54.537 56.048 0.071 0.000 1.269 221 H CB 0.952 30.804 29.762 0.151 0.000 1.446 221 H HN 0.162 nan 8.280 nan 0.000 0.527 222 P HA -0.055 nan 4.420 nan 0.000 0.535 222 P C 0.521 177.402 177.300 -0.699 0.000 0.806 222 P CA -0.076 62.357 63.100 -1.113 0.000 2.509 222 P CB 0.426 31.480 31.700 -1.076 0.000 1.141 223 Y N -0.153 119.882 120.300 -0.442 0.000 2.049 223 Y HA -0.151 4.399 4.550 -0.000 0.000 0.277 223 Y C 2.285 177.766 175.900 -0.699 0.000 1.143 223 Y CA 1.803 59.552 58.100 -0.584 0.000 1.115 223 Y CB -1.755 36.259 38.460 -0.743 0.000 0.975 223 Y HN -0.062 nan 8.280 nan 0.000 0.487 224 Y N -1.261 118.846 120.300 -0.322 0.000 2.544 224 Y HA -0.025 4.525 4.550 -0.000 0.000 0.286 224 Y C 2.437 178.033 175.900 -0.506 0.000 1.141 224 Y CA 0.703 58.453 58.100 -0.585 0.000 1.299 224 Y CB -0.913 36.866 38.460 -1.135 0.000 1.030 224 Y HN 0.084 nan 8.280 nan 0.000 0.543 225 T N 0.373 114.769 114.554 -0.263 0.000 2.701 225 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 225 T C 1.973 176.657 174.700 -0.027 0.000 1.040 225 T CA 1.234 63.331 62.100 -0.006 0.000 1.147 225 T CB -0.215 68.770 68.868 0.195 0.000 0.865 225 T HN 0.098 nan 8.240 nan 0.000 0.426 226 I N 1.290 121.802 120.570 -0.097 0.000 2.286 226 I HA -0.064 4.106 4.170 -0.000 0.000 0.245 226 I C 2.438 178.525 176.117 -0.049 0.000 1.104 226 I CA 1.335 62.591 61.300 -0.074 0.000 1.397 226 I CB -0.902 37.036 38.000 -0.103 0.000 1.072 226 I HN 0.289 nan 8.210 nan 0.000 0.417 227 K N 0.987 121.356 120.400 -0.053 0.000 2.074 227 K HA -0.255 4.065 4.320 -0.000 0.000 0.209 227 K C 1.606 178.221 176.600 0.025 0.000 1.048 227 K CA 2.175 58.465 56.287 0.006 0.000 0.926 227 K CB -0.054 32.496 32.500 0.083 0.000 0.713 227 K HN 0.152 nan 8.250 nan 0.000 0.444 228 D N 0.495 120.920 120.400 0.043 0.000 2.144 228 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 228 D C 1.878 178.184 176.300 0.009 0.000 0.978 228 D CA 1.072 55.102 54.000 0.050 0.000 0.833 228 D CB -0.041 40.829 40.800 0.117 0.000 0.961 228 D HN 0.293 nan 8.370 nan 0.000 0.470 229 I N 0.271 120.842 120.570 0.002 0.000 2.113 229 I HA -0.255 3.915 4.170 -0.000 0.000 0.238 229 I C 2.360 178.463 176.117 -0.024 0.000 1.070 229 I CA 0.599 61.891 61.300 -0.014 0.000 1.332 229 I CB -0.283 37.709 38.000 -0.015 0.000 1.044 229 I HN 0.032 nan 8.210 nan 0.000 0.402 230 L N 1.401 122.608 121.223 -0.025 0.000 2.021 230 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 230 L C 2.251 179.097 176.870 -0.041 0.000 1.074 230 L CA 2.502 57.324 54.840 -0.030 0.000 0.760 230 L CB -1.298 40.744 42.059 -0.028 0.000 0.889 230 L HN 0.247 nan 8.230 nan 0.000 0.433 231 G N -1.671 107.098 108.800 -0.051 0.000 2.443 231 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.219 231 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.219 231 G C 1.556 176.402 174.900 -0.090 0.000 1.131 231 G CA 0.692 45.739 45.100 -0.088 0.000 0.775 231 G HN 0.702 nan 8.290 nan 0.000 0.547 232 A N 0.518 123.300 122.820 -0.063 0.000 1.898 232 A HA 0.102 4.422 4.320 -0.000 0.000 0.216 232 A C 2.289 179.843 177.584 -0.049 0.000 1.181 232 A CA 1.405 53.406 52.037 -0.060 0.000 0.620 232 A CB -0.409 18.563 19.000 -0.048 0.000 0.819 232 A HN 0.365 nan 8.150 nan 0.000 0.442 233 L N -0.315 120.884 121.223 -0.039 0.000 2.131 233 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 233 L C 2.248 179.105 176.870 -0.022 0.000 1.092 233 L CA 1.459 56.282 54.840 -0.028 0.000 0.759 233 L CB -0.333 41.712 42.059 -0.023 0.000 0.903 233 L HN 0.408 nan 8.230 nan 0.000 0.435 234 L N -1.674 119.529 121.223 -0.033 0.000 2.109 234 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 234 L C 2.365 179.225 176.870 -0.017 0.000 1.086 234 L CA 0.776 55.600 54.840 -0.025 0.000 0.760 234 L CB -0.479 41.553 42.059 -0.045 0.000 0.910 234 L HN 0.328 nan 8.230 nan 0.000 0.437 235 L N -0.121 121.081 121.223 -0.036 0.000 2.093 235 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 235 L C 2.264 179.130 176.870 -0.008 0.000 1.085 235 L CA 1.652 56.478 54.840 -0.024 0.000 0.755 235 L CB -0.198 41.830 42.059 -0.052 0.000 0.904 235 L HN 0.088 nan 8.230 nan 0.000 0.435 236 I N -1.130 119.432 120.570 -0.014 0.000 2.202 236 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 236 I C 2.361 178.488 176.117 0.017 0.000 1.091 236 I CA 1.156 62.452 61.300 -0.007 0.000 1.368 236 I CB -0.355 37.634 38.000 -0.018 0.000 1.058 236 I HN 0.349 nan 8.210 nan 0.000 0.410 237 L N 1.463 122.700 121.223 0.023 0.000 1.970 237 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 237 L C 2.600 179.510 176.870 0.066 0.000 1.071 237 L CA 2.374 57.243 54.840 0.048 0.000 0.751 237 L CB -0.824 41.260 42.059 0.042 0.000 0.889 237 L HN 0.192 nan 8.230 nan 0.000 0.432 238 A N -0.665 122.190 122.820 0.058 0.000 1.940 238 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 238 A C 2.281 179.910 177.584 0.074 0.000 1.176 238 A CA 2.125 54.206 52.037 0.073 0.000 0.631 238 A CB -1.110 17.935 19.000 0.074 0.000 0.814 238 A HN 0.581 nan 8.150 nan 0.000 0.446 239 L N -1.246 120.010 121.223 0.053 0.000 2.056 239 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 239 L C 2.331 179.240 176.870 0.065 0.000 1.078 239 L CA 1.911 56.780 54.840 0.049 0.000 0.749 239 L CB -0.394 41.680 42.059 0.024 0.000 0.901 239 L HN 0.272 nan 8.230 nan 0.000 0.433 240 M N -1.195 118.444 119.600 0.064 0.000 2.099 240 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 240 M C 2.287 178.655 176.300 0.113 0.000 1.067 240 M CA 1.343 56.684 55.300 0.069 0.000 1.124 240 M CB -1.357 31.274 32.600 0.052 0.000 1.353 240 M HN 0.250 nan 8.290 nan 0.000 0.410 241 L N 0.364 121.691 121.223 0.172 0.000 2.030 241 L HA -0.268 4.072 4.340 -0.000 0.000 0.222 241 L C 2.417 179.431 176.870 0.239 0.000 1.082 241 L CA 1.838 56.849 54.840 0.285 0.000 0.785 241 L CB -1.612 40.570 42.059 0.205 0.000 0.895 241 L HN 0.205 nan 8.230 nan 0.000 0.439 242 L N -1.477 119.836 121.223 0.150 0.000 1.943 242 L HA -0.197 4.143 4.340 -0.000 0.000 0.215 242 L C 2.549 179.474 176.870 0.093 0.000 1.074 242 L CA 1.477 56.386 54.840 0.115 0.000 0.759 242 L CB -1.276 40.834 42.059 0.084 0.000 0.888 242 L HN 0.032 nan 8.230 nan 0.000 0.433 243 V N -0.409 119.564 119.914 0.099 0.000 2.317 243 V HA -0.303 3.817 4.120 -0.000 0.000 0.251 243 V C 2.225 178.394 176.094 0.125 0.000 1.065 243 V CA 1.981 64.364 62.300 0.138 0.000 1.049 243 V CB -0.488 31.430 31.823 0.159 0.000 0.651 243 V HN 0.399 nan 8.190 nan 0.000 0.450 244 L N -2.913 118.323 121.223 0.021 0.000 2.616 244 L HA 0.230 4.570 4.340 -0.000 0.000 0.229 244 L C 1.551 178.135 176.870 -0.477 0.000 1.110 244 L CA 0.351 55.081 54.840 -0.183 0.000 0.884 244 L CB 0.084 41.950 42.059 -0.322 0.000 1.115 244 L HN 0.255 nan 8.230 nan 0.000 0.481 245 F N -0.619 119.375 119.950 0.074 0.000 2.815 245 F HA 0.378 4.905 4.527 -0.000 0.000 0.328 245 F C 1.143 176.955 175.800 0.020 0.000 0.982 245 F CA -0.200 57.827 58.000 0.045 0.000 1.154 245 F CB 0.440 39.467 39.000 0.044 0.000 0.980 245 F HN -0.166 nan 8.300 nan 0.000 0.603 246 A N 0.154 123.072 122.820 0.163 0.000 3.308 246 A HA 0.500 4.820 4.320 -0.000 0.000 0.275 246 A C -2.054 175.534 177.584 0.006 0.000 0.950 246 A CA -0.872 51.216 52.037 0.086 0.000 0.987 246 A CB -0.410 18.656 19.000 0.109 0.000 1.146 246 A HN -0.038 nan 8.150 nan 0.000 0.488 247 P HA -0.103 nan 4.420 nan 0.000 0.216 247 P C -0.245 176.949 177.300 -0.177 0.000 1.153 247 P CA 1.393 64.321 63.100 -0.287 0.000 0.858 247 P CB 0.122 31.432 31.700 -0.649 0.000 0.789 248 D N -0.690 119.652 120.400 -0.096 0.000 2.454 248 D HA 0.275 4.915 4.640 -0.000 0.000 0.225 248 D C 0.627 176.945 176.300 0.030 0.000 1.081 248 D CA -0.153 53.848 54.000 0.001 0.000 0.864 248 D CB 1.766 42.557 40.800 -0.015 0.000 1.040 248 D HN 0.051 nan 8.370 nan 0.000 0.517 249 L N 1.238 122.500 121.223 0.066 0.000 2.824 249 L HA 0.136 4.476 4.340 -0.000 0.000 0.284 249 L C 0.781 177.724 176.870 0.121 0.000 1.031 249 L CA 0.192 55.084 54.840 0.086 0.000 1.226 249 L CB 0.321 42.432 42.059 0.086 0.000 2.283 249 L HN 0.166 nan 8.230 nan 0.000 0.569 250 L N -0.032 121.264 121.223 0.122 0.000 2.556 250 L HA 0.426 4.766 4.340 -0.000 0.000 0.226 250 L C 1.071 178.035 176.870 0.158 0.000 1.089 250 L CA 0.314 55.243 54.840 0.149 0.000 0.864 250 L CB -0.157 41.946 42.059 0.074 0.000 1.067 250 L HN 0.226 nan 8.230 nan 0.000 0.477 251 G N 0.616 109.514 108.800 0.162 0.000 2.351 251 G HA2 0.143 4.103 3.960 -0.000 0.000 0.287 251 G HA3 0.143 4.103 3.960 -0.000 0.000 0.287 251 G C -0.909 174.126 174.900 0.225 0.000 1.159 251 G CA -0.172 45.059 45.100 0.218 0.000 0.929 251 G HN 0.013 nan 8.290 nan 0.000 0.435 252 D N 2.751 123.303 120.400 0.253 0.000 2.458 252 D HA 0.185 4.825 4.640 -0.000 0.000 0.243 252 D C -0.937 175.521 176.300 0.262 0.000 1.146 252 D CA -1.164 52.974 54.000 0.231 0.000 0.877 252 D CB 1.542 42.487 40.800 0.243 0.000 1.176 252 D HN 0.115 nan 8.370 nan 0.000 0.461 253 P HA -0.082 nan 4.420 nan 0.000 0.219 253 P C 0.365 177.829 177.300 0.274 0.000 1.146 253 P CA 0.771 64.000 63.100 0.216 0.000 0.808 253 P CB 0.259 32.030 31.700 0.119 0.000 0.779 254 D N -1.476 119.064 120.400 0.234 0.000 2.310 254 D HA -0.073 4.566 4.640 -0.000 0.000 0.212 254 D C 1.412 177.859 176.300 0.245 0.000 0.965 254 D CA 0.655 54.789 54.000 0.223 0.000 0.879 254 D CB -0.554 40.363 40.800 0.194 0.000 0.921 254 D HN 0.121 nan 8.370 nan 0.000 0.510 255 N N -0.467 118.380 118.700 0.245 0.000 2.461 255 N HA -0.072 4.668 4.740 -0.000 0.000 0.188 255 N C 0.283 175.900 175.510 0.178 0.000 1.134 255 N CA 0.206 53.348 53.050 0.153 0.000 0.878 255 N CB 0.173 38.652 38.487 -0.013 0.000 0.972 255 N HN 0.338 nan 8.380 nan 0.000 0.456 256 Y N 0.747 121.192 120.300 0.242 0.000 2.462 256 Y HA 0.043 4.593 4.550 -0.000 0.000 0.293 256 Y C 0.675 176.822 175.900 0.410 0.000 1.195 256 Y CA 0.122 58.412 58.100 0.316 0.000 1.276 256 Y CB 0.302 38.875 38.460 0.189 0.000 1.082 256 Y HN -0.108 nan 8.280 nan 0.000 0.514 257 T N -2.996 111.799 114.554 0.401 0.000 2.890 257 T HA 0.360 4.710 4.350 -0.000 0.000 0.295 257 T C -2.410 172.249 174.700 -0.070 0.000 0.993 257 T CA -2.500 59.664 62.100 0.106 0.000 0.979 257 T CB 2.531 71.453 68.868 0.089 0.000 0.967 257 T HN -0.266 nan 8.240 nan 0.000 0.441 258 P HA -0.020 nan 4.420 nan 0.000 0.219 258 P C 0.028 177.170 177.300 -0.262 0.000 1.019 258 P CA 0.980 63.743 63.100 -0.562 0.000 0.984 258 P CB -0.009 31.291 31.700 -0.667 0.000 0.590 259 A N -0.770 121.883 122.820 -0.277 0.000 2.343 259 A HA 0.633 4.953 4.320 -0.000 0.000 0.316 259 A C -0.672 176.703 177.584 -0.349 0.000 1.104 259 A CA -0.169 51.634 52.037 -0.390 0.000 0.768 259 A CB 0.477 19.290 19.000 -0.311 0.000 1.213 259 A HN 0.226 nan 8.150 nan 0.000 0.456 260 N N 2.609 121.029 118.700 -0.466 0.000 2.710 260 N HA 0.319 5.059 4.740 -0.000 0.000 0.244 260 N C -2.684 172.628 175.510 -0.330 0.000 1.321 260 N CA -0.964 51.937 53.050 -0.249 0.000 0.758 260 N CB 2.030 40.524 38.487 0.012 0.000 1.284 260 N HN 0.210 nan 8.380 nan 0.000 0.530 261 P HA 0.090 nan 4.420 nan 0.000 0.233 261 P C 1.038 178.402 177.300 0.107 0.000 1.167 261 P CA 0.631 63.385 63.100 -0.577 0.000 0.770 261 P CB 0.607 32.019 31.700 -0.480 0.000 0.837 262 L N -2.310 118.971 121.223 0.097 0.000 2.357 262 L HA 0.157 4.497 4.340 -0.000 0.000 0.211 262 L C 0.390 177.349 176.870 0.149 0.000 1.075 262 L CA 0.616 55.526 54.840 0.117 0.000 0.830 262 L CB -0.238 41.835 42.059 0.024 0.000 0.996 262 L HN -0.092 nan 8.230 nan 0.000 0.467 263 N N 0.313 119.123 118.700 0.183 0.000 2.491 263 N HA 0.230 4.970 4.740 -0.000 0.000 0.274 263 N C -0.797 174.646 175.510 -0.111 0.000 1.023 263 N CA -0.101 52.968 53.050 0.031 0.000 0.902 263 N CB 1.928 40.412 38.487 -0.005 0.000 1.267 263 N HN -0.170 nan 8.380 nan 0.000 0.503 264 T N 3.053 117.238 114.554 -0.615 0.000 2.832 264 T HA 0.293 4.643 4.350 -0.000 0.000 0.296 264 T C -2.063 172.322 174.700 -0.526 0.000 0.968 264 T CA -0.740 60.642 62.100 -1.196 0.000 1.107 264 T CB 0.699 68.860 68.868 -1.178 0.000 0.916 264 T HN 0.214 nan 8.240 nan 0.000 0.517 265 P HA 0.134 nan 4.420 nan 0.000 0.268 265 P C -1.783 175.423 177.300 -0.157 0.000 1.208 265 P CA -1.215 61.804 63.100 -0.135 0.000 0.777 265 P CB 0.009 31.703 31.700 -0.010 0.000 0.875 266 P HA -0.145 nan 4.420 nan 0.000 0.214 266 P C -0.260 176.812 177.300 -0.380 0.000 1.163 266 P CA 1.675 64.664 63.100 -0.184 0.000 0.889 266 P CB -0.073 31.629 31.700 0.004 0.000 0.790 267 H N -1.490 117.581 119.070 0.002 0.000 2.675 267 H HA 0.307 4.863 4.556 -0.000 0.000 0.258 267 H C -0.070 175.281 175.328 0.039 0.000 1.271 267 H CA -0.797 55.265 56.048 0.024 0.000 1.462 267 H CB -0.392 29.391 29.762 0.034 0.000 1.467 267 H HN 0.069 nan 8.280 nan 0.000 0.501 268 I N -0.342 120.286 120.570 0.096 0.000 2.533 268 I HA 0.233 4.403 4.170 -0.000 0.000 0.284 268 I C -0.019 176.149 176.117 0.086 0.000 1.109 268 I CA -0.032 61.330 61.300 0.103 0.000 1.412 268 I CB 0.811 38.872 38.000 0.101 0.000 1.396 268 I HN 0.306 nan 8.210 nan 0.000 0.543 269 K N 7.554 127.990 120.400 0.060 0.000 2.463 269 K HA 0.567 4.887 4.320 -0.000 0.000 0.255 269 K C -2.614 173.939 176.600 -0.079 0.000 0.942 269 K CA -1.769 54.513 56.287 -0.007 0.000 0.814 269 K CB 1.620 34.147 32.500 0.045 0.000 1.122 269 K HN 0.419 nan 8.250 nan 0.000 0.425 270 P HA -0.060 nan 4.420 nan 0.000 0.271 270 P C 0.507 177.679 177.300 -0.213 0.000 1.233 270 P CA -0.156 62.796 63.100 -0.246 0.000 0.795 270 P CB 0.609 32.124 31.700 -0.307 0.000 0.936 271 E N -0.897 119.074 120.200 -0.382 0.000 2.118 271 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 271 E C 0.881 177.384 176.600 -0.161 0.000 0.992 271 E CA 1.518 57.651 56.400 -0.445 0.000 0.804 271 E CB -0.057 29.095 29.700 -0.914 0.000 0.741 271 E HN 0.682 nan 8.360 nan 0.000 0.458 272 W N -2.202 118.820 121.300 -0.463 0.000 3.862 272 W HA -0.204 4.456 4.660 -0.000 0.000 0.145 272 W C 0.688 177.151 176.519 -0.093 0.000 2.827 272 W CA 0.485 57.706 57.345 -0.206 0.000 1.179 272 W CB -1.043 28.341 29.460 -0.127 0.000 1.470 272 W HN 0.020 nan 8.180 nan 0.000 0.656 273 Y N 0.306 121.007 120.300 0.668 0.000 2.578 273 Y HA 0.291 4.841 4.550 -0.000 0.000 0.297 273 Y C 1.417 177.554 175.900 0.395 0.000 1.176 273 Y CA 0.856 59.316 58.100 0.600 0.000 1.315 273 Y CB -1.159 37.416 38.460 0.191 0.000 1.031 273 Y HN 0.051 nan 8.280 nan 0.000 0.524 274 F N 0.060 119.966 119.950 -0.072 0.000 2.706 274 F HA 0.301 4.828 4.527 -0.000 0.000 0.308 274 F C 1.408 177.106 175.800 -0.171 0.000 1.095 274 F CA -0.889 57.029 58.000 -0.137 0.000 1.244 274 F CB -0.158 38.689 39.000 -0.256 0.000 1.063 274 F HN 0.054 nan 8.300 nan 0.000 0.582 275 L N 0.065 121.217 121.223 -0.119 0.000 1.997 275 L HA -0.292 4.048 4.340 -0.000 0.000 0.216 275 L C 2.664 179.394 176.870 -0.232 0.000 1.074 275 L CA 2.381 57.117 54.840 -0.174 0.000 0.763 275 L CB -1.148 40.844 42.059 -0.113 0.000 0.890 275 L HN 0.344 nan 8.230 nan 0.000 0.434 276 F N 0.069 119.877 119.950 -0.237 0.000 2.171 276 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 276 F C 2.318 177.926 175.800 -0.320 0.000 1.090 276 F CA 0.968 58.802 58.000 -0.276 0.000 1.293 276 F CB -0.929 37.892 39.000 -0.299 0.000 1.013 276 F HN -0.055 nan 8.300 nan 0.000 0.486 277 A N -0.469 121.425 122.820 -1.543 0.000 1.970 277 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 277 A C 2.118 179.203 177.584 -0.832 0.000 1.170 277 A CA 1.032 52.321 52.037 -1.246 0.000 0.645 277 A CB -1.534 16.790 19.000 -1.127 0.000 0.816 277 A HN 0.562 nan 8.150 nan 0.000 0.447 278 Y N 0.898 120.487 120.300 -1.184 0.000 2.181 278 Y HA -0.126 4.424 4.550 -0.000 0.000 0.288 278 Y C 2.676 178.288 175.900 -0.479 0.000 1.146 278 Y CA 0.953 58.516 58.100 -0.895 0.000 1.164 278 Y CB -0.688 37.282 38.460 -0.817 0.000 0.982 278 Y HN 0.312 nan 8.280 nan 0.000 0.515 279 A N 0.284 122.866 122.820 -0.397 0.000 1.883 279 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 279 A C 2.392 179.800 177.584 -0.293 0.000 1.186 279 A CA 2.014 53.844 52.037 -0.345 0.000 0.624 279 A CB -1.149 17.699 19.000 -0.253 0.000 0.822 279 A HN 0.533 nan 8.150 nan 0.000 0.444 280 I N -0.770 119.639 120.570 -0.267 0.000 2.179 280 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 280 I C 2.518 178.555 176.117 -0.133 0.000 1.088 280 I CA 1.612 62.825 61.300 -0.146 0.000 1.357 280 I CB -0.344 37.591 38.000 -0.109 0.000 1.051 280 I HN 0.477 nan 8.210 nan 0.000 0.409 281 L N 0.880 121.982 121.223 -0.202 0.000 2.042 281 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 281 L C 2.620 179.372 176.870 -0.197 0.000 1.076 281 L CA 1.840 56.583 54.840 -0.162 0.000 0.749 281 L CB -0.450 41.507 42.059 -0.169 0.000 0.893 281 L HN 0.041 nan 8.230 nan 0.000 0.432 282 R N -0.308 119.999 120.500 -0.322 0.000 2.073 282 R HA -0.115 4.225 4.340 -0.000 0.000 0.229 282 R C 2.501 178.684 176.300 -0.194 0.000 1.120 282 R CA 1.334 57.247 56.100 -0.312 0.000 0.967 282 R CB -0.418 29.593 30.300 -0.481 0.000 0.862 282 R HN 0.739 nan 8.270 nan 0.000 0.436 283 S N 1.720 117.317 115.700 -0.171 0.000 2.452 283 S HA -0.291 4.179 4.470 -0.000 0.000 0.253 283 S C 1.180 175.733 174.600 -0.079 0.000 1.061 283 S CA 1.409 59.545 58.200 -0.107 0.000 1.273 283 S CB -1.041 62.119 63.200 -0.066 0.000 1.191 283 S HN 0.480 nan 8.310 nan 0.000 0.430 284 I N 4.811 125.344 120.570 -0.062 0.000 2.752 284 I HA 0.128 4.298 4.170 -0.000 0.000 0.286 284 I C -2.150 173.934 176.117 -0.054 0.000 1.180 284 I CA -1.854 59.416 61.300 -0.050 0.000 1.404 284 I CB 0.688 38.661 38.000 -0.045 0.000 1.389 284 I HN 0.207 nan 8.210 nan 0.000 0.549 285 P HA 0.176 nan 4.420 nan 0.000 0.241 285 P C -1.237 176.045 177.300 -0.031 0.000 1.760 285 P CA 0.195 63.272 63.100 -0.039 0.000 1.081 285 P CB -0.411 31.271 31.700 -0.031 0.000 1.975 286 N N 0.445 119.126 118.700 -0.033 0.000 2.367 286 N HA 0.140 4.880 4.740 -0.000 0.000 0.278 286 N C 0.684 176.181 175.510 -0.022 0.000 1.117 286 N CA -0.673 52.362 53.050 -0.025 0.000 0.867 286 N CB 1.996 40.465 38.487 -0.030 0.000 1.649 286 N HN -0.210 nan 8.380 nan 0.000 0.479 287 K N 1.742 122.136 120.400 -0.011 0.000 1.980 287 K HA -0.011 4.309 4.320 -0.000 0.000 0.208 287 K C 1.497 178.094 176.600 -0.006 0.000 1.043 287 K CA 1.058 57.344 56.287 -0.002 0.000 0.938 287 K CB -0.230 32.276 32.500 0.010 0.000 0.724 287 K HN 0.464 nan 8.250 nan 0.000 0.438 288 L N 1.218 122.436 121.223 -0.009 0.000 1.970 288 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 288 L C 2.279 179.134 176.870 -0.025 0.000 1.071 288 L CA 2.511 57.343 54.840 -0.014 0.000 0.751 288 L CB -1.302 40.747 42.059 -0.016 0.000 0.889 288 L HN 0.445 nan 8.230 nan 0.000 0.432 289 G N -1.642 107.137 108.800 -0.036 0.000 2.470 289 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.220 289 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.220 289 G C 1.441 176.315 174.900 -0.045 0.000 1.121 289 G CA 0.670 45.739 45.100 -0.052 0.000 0.766 289 G HN 0.635 nan 8.290 nan 0.000 0.553 290 G N 0.453 109.232 108.800 -0.034 0.000 2.424 290 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.214 290 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.214 290 G C 1.870 176.762 174.900 -0.012 0.000 1.202 290 G CA 1.409 46.489 45.100 -0.033 0.000 0.793 290 G HN 0.609 nan 8.290 nan 0.000 0.534 291 V N 0.627 120.540 119.914 -0.001 0.000 2.469 291 V HA -0.083 4.037 4.120 -0.000 0.000 0.251 291 V C 2.509 178.620 176.094 0.028 0.000 1.064 291 V CA 1.441 63.752 62.300 0.019 0.000 1.066 291 V CB -0.303 31.531 31.823 0.018 0.000 0.667 291 V HN 0.187 nan 8.190 nan 0.000 0.461 292 L N 0.553 121.780 121.223 0.006 0.000 2.027 292 L HA 0.003 4.343 4.340 -0.000 0.000 0.206 292 L C 2.960 179.851 176.870 0.035 0.000 1.074 292 L CA 2.495 57.336 54.840 0.002 0.000 0.745 292 L CB -1.949 40.075 42.059 -0.057 0.000 0.898 292 L HN 0.495 nan 8.230 nan 0.000 0.433 293 A N -0.302 122.523 122.820 0.008 0.000 1.940 293 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 293 A C 2.262 179.967 177.584 0.201 0.000 1.176 293 A CA 1.755 53.829 52.037 0.062 0.000 0.631 293 A CB -0.734 18.280 19.000 0.023 0.000 0.814 293 A HN 0.366 nan 8.150 nan 0.000 0.446 294 L N -0.217 121.073 121.223 0.112 0.000 2.017 294 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 294 L C 2.658 179.618 176.870 0.151 0.000 1.073 294 L CA 2.374 57.271 54.840 0.095 0.000 0.745 294 L CB -0.949 41.146 42.059 0.061 0.000 0.894 294 L HN 0.337 nan 8.230 nan 0.000 0.432 295 A N -0.988 121.925 122.820 0.155 0.000 1.858 295 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 295 A C 2.277 180.014 177.584 0.254 0.000 1.190 295 A CA 1.854 53.991 52.037 0.167 0.000 0.617 295 A CB -1.317 17.763 19.000 0.133 0.000 0.827 295 A HN 0.502 nan 8.150 nan 0.000 0.443 296 F N 1.387 121.418 119.950 0.135 0.000 2.154 296 F HA -0.197 4.330 4.527 -0.000 0.000 0.301 296 F C 2.831 178.886 175.800 0.425 0.000 1.087 296 F CA 1.539 59.665 58.000 0.210 0.000 1.274 296 F CB -0.387 38.667 39.000 0.090 0.000 1.009 296 F HN 0.304 nan 8.300 nan 0.000 0.485 297 S N -0.144 115.881 115.700 0.541 0.000 2.419 297 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 297 S C 1.885 176.657 174.600 0.286 0.000 1.019 297 S CA 1.669 60.125 58.200 0.426 0.000 0.982 297 S CB -0.414 62.892 63.200 0.175 0.000 0.789 297 S HN 0.324 nan 8.310 nan 0.000 0.490 298 I N -0.022 120.675 120.570 0.213 0.000 3.194 298 I HA 0.196 4.366 4.170 -0.000 0.000 0.271 298 I C 1.753 177.927 176.117 0.095 0.000 1.150 298 I CA 0.280 61.690 61.300 0.183 0.000 1.440 298 I CB -1.249 36.858 38.000 0.178 0.000 1.276 298 I HN 0.281 nan 8.210 nan 0.000 0.457 299 L N 1.195 122.460 121.223 0.070 0.000 2.447 299 L HA -0.118 4.222 4.340 -0.000 0.000 0.225 299 L C 2.318 179.141 176.870 -0.078 0.000 1.148 299 L CA 1.243 56.096 54.840 0.022 0.000 0.808 299 L CB -1.275 40.831 42.059 0.079 0.000 0.928 299 L HN 0.184 nan 8.230 nan 0.000 0.448 300 I N -1.180 119.287 120.570 -0.171 0.000 2.394 300 I HA -0.289 3.881 4.170 -0.000 0.000 0.251 300 I C 2.232 178.299 176.117 -0.082 0.000 1.136 300 I CA 1.027 62.158 61.300 -0.281 0.000 1.425 300 I CB 0.056 37.883 38.000 -0.289 0.000 1.079 300 I HN 0.187 nan 8.210 nan 0.000 0.425 301 L N 0.709 121.945 121.223 0.022 0.000 2.103 301 L HA -0.285 4.055 4.340 -0.000 0.000 0.215 301 L C 2.516 179.572 176.870 0.310 0.000 1.080 301 L CA 1.537 56.482 54.840 0.175 0.000 0.764 301 L CB -1.069 41.046 42.059 0.093 0.000 0.890 301 L HN 0.354 nan 8.230 nan 0.000 0.435 302 A N -0.908 122.014 122.820 0.170 0.000 2.206 302 A HA 0.055 4.375 4.320 -0.000 0.000 0.211 302 A C 2.100 179.763 177.584 0.131 0.000 1.158 302 A CA 0.683 52.847 52.037 0.210 0.000 0.761 302 A CB -0.298 18.771 19.000 0.115 0.000 0.801 302 A HN 0.401 nan 8.150 nan 0.000 0.473 303 L N -0.698 120.556 121.223 0.051 0.000 2.513 303 L HA 0.082 4.422 4.340 -0.000 0.000 0.222 303 L C 2.002 178.849 176.870 -0.039 0.000 1.096 303 L CA 0.172 55.019 54.840 0.012 0.000 0.857 303 L CB -0.368 41.686 42.059 -0.009 0.000 1.026 303 L HN 0.350 nan 8.230 nan 0.000 0.469 304 I N 1.444 121.962 120.570 -0.086 0.000 2.113 304 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 304 I C -0.203 175.722 176.117 -0.320 0.000 1.064 304 I CA 1.978 63.101 61.300 -0.295 0.000 1.320 304 I CB -1.905 35.803 38.000 -0.488 0.000 1.028 304 I HN 0.215 nan 8.210 nan 0.000 0.406 305 P HA -0.151 nan 4.420 nan 0.000 0.218 305 P C 1.880 179.214 177.300 0.056 0.000 1.146 305 P CA 1.404 64.525 63.100 0.035 0.000 0.813 305 P CB -0.073 31.651 31.700 0.039 0.000 0.778 306 L N -2.077 119.155 121.223 0.016 0.000 2.395 306 L HA -0.010 4.330 4.340 -0.000 0.000 0.218 306 L C 1.829 178.712 176.870 0.022 0.000 1.130 306 L CA 0.729 55.584 54.840 0.025 0.000 0.826 306 L CB -0.547 41.525 42.059 0.023 0.000 0.941 306 L HN -0.023 nan 8.230 nan 0.000 0.451 307 L N -1.722 119.501 121.223 -0.000 0.000 2.628 307 L HA 0.103 4.443 4.340 -0.000 0.000 0.229 307 L C 0.618 177.482 176.870 -0.009 0.000 1.137 307 L CA -0.303 54.523 54.840 -0.023 0.000 0.909 307 L CB -0.445 41.572 42.059 -0.070 0.000 1.137 307 L HN 0.132 nan 8.230 nan 0.000 0.470 308 H N -0.594 118.466 119.070 -0.017 0.000 2.886 308 H HA 0.028 4.583 4.556 -0.000 0.000 0.329 308 H C 0.887 176.194 175.328 -0.035 0.000 1.044 308 H CA 0.842 56.895 56.048 0.009 0.000 1.456 308 H CB 1.046 30.848 29.762 0.067 0.000 1.464 308 H HN -0.127 nan 8.280 nan 0.000 0.573 309 T N 1.960 116.385 114.554 -0.215 0.000 3.010 309 T HA 0.064 4.414 4.350 -0.000 0.000 0.253 309 T C 0.344 174.972 174.700 -0.119 0.000 0.939 309 T CA 0.286 62.322 62.100 -0.107 0.000 0.910 309 T CB 0.067 68.864 68.868 -0.118 0.000 1.226 309 T HN 0.589 nan 8.240 nan 0.000 0.508 310 S N 1.075 116.611 115.700 -0.273 0.000 2.576 310 S HA 0.237 4.707 4.470 -0.000 0.000 0.276 310 S C 1.185 175.747 174.600 -0.064 0.000 1.339 310 S CA -0.276 57.830 58.200 -0.156 0.000 1.039 310 S CB 0.759 63.842 63.200 -0.196 0.000 0.902 310 S HN 0.221 nan 8.310 nan 0.000 0.516 311 K N 1.696 121.992 120.400 -0.174 0.000 2.439 311 K HA 0.048 4.368 4.320 -0.000 0.000 0.197 311 K C 0.402 176.781 176.600 -0.368 0.000 1.041 311 K CA 0.671 56.702 56.287 -0.426 0.000 0.970 311 K CB 0.039 31.948 32.500 -0.986 0.000 0.773 311 K HN 0.658 nan 8.250 nan 0.000 0.479 312 Q N -0.531 119.201 119.800 -0.113 0.000 2.248 312 Q HA 0.221 4.561 4.340 -0.000 0.000 0.263 312 Q C 0.754 176.787 176.000 0.055 0.000 1.007 312 Q CA -0.369 55.439 55.803 0.009 0.000 0.877 312 Q CB 2.081 30.911 28.738 0.154 0.000 1.315 312 Q HN -0.018 nan 8.270 nan 0.000 0.454 313 R N 0.426 120.920 120.500 -0.009 0.000 2.064 313 R HA 0.101 4.441 4.340 -0.000 0.000 0.221 313 R C 0.795 177.053 176.300 -0.071 0.000 1.136 313 R CA 0.664 56.706 56.100 -0.097 0.000 0.980 313 R CB 0.145 30.334 30.300 -0.186 0.000 0.876 313 R HN 0.530 nan 8.270 nan 0.000 0.437 314 S N -0.629 115.029 115.700 -0.070 0.000 2.669 314 S HA 0.184 4.654 4.470 -0.000 0.000 0.270 314 S C 0.762 175.193 174.600 -0.283 0.000 1.225 314 S CA -0.578 57.544 58.200 -0.129 0.000 0.991 314 S CB 1.067 64.255 63.200 -0.020 0.000 0.987 314 S HN 0.337 nan 8.310 nan 0.000 0.552 315 M N 2.483 121.730 119.600 -0.589 0.000 2.431 315 M HA 0.168 4.648 4.480 -0.000 0.000 0.237 315 M C 1.550 177.503 176.300 -0.578 0.000 1.130 315 M CA -0.034 54.834 55.300 -0.719 0.000 1.002 315 M CB -0.108 31.696 32.600 -1.327 0.000 1.524 315 M HN 0.785 nan 8.290 nan 0.000 0.482 316 M N 0.227 119.553 119.600 -0.457 0.000 2.202 316 M HA -0.156 4.324 4.480 -0.000 0.000 0.262 316 M C -0.100 175.984 176.300 -0.360 0.000 1.063 316 M CA 1.893 56.956 55.300 -0.396 0.000 1.097 316 M CB 0.221 32.484 32.600 -0.561 0.000 1.382 316 M HN 0.168 nan 8.290 nan 0.000 0.413 317 F N 0.335 120.295 119.950 0.017 0.000 2.850 317 F HA 0.413 4.940 4.527 -0.000 0.000 0.306 317 F C -0.119 175.684 175.800 0.006 0.000 1.162 317 F CA -0.320 57.698 58.000 0.031 0.000 1.327 317 F CB 0.055 39.087 39.000 0.053 0.000 0.953 317 F HN -0.073 nan 8.300 nan 0.000 0.507 318 R N 0.581 121.117 120.500 0.060 0.000 2.585 318 R HA 0.236 4.576 4.340 -0.000 0.000 0.278 318 R C -2.175 174.122 176.300 -0.006 0.000 1.663 318 R CA -1.330 54.775 56.100 0.009 0.000 1.592 318 R CB 1.017 31.272 30.300 -0.075 0.000 1.200 318 R HN -0.025 nan 8.270 nan 0.000 0.611 319 P HA -0.205 nan 4.420 nan 0.000 0.215 319 P C 1.197 178.525 177.300 0.047 0.000 1.157 319 P CA 1.072 64.208 63.100 0.060 0.000 0.874 319 P CB 0.370 32.108 31.700 0.063 0.000 0.790 320 L N -0.945 120.293 121.223 0.024 0.000 1.994 320 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 320 L C 2.401 179.270 176.870 -0.001 0.000 1.071 320 L CA 1.786 56.635 54.840 0.015 0.000 0.745 320 L CB -0.897 41.163 42.059 0.002 0.000 0.892 320 L HN -0.055 nan 8.230 nan 0.000 0.431 321 S N -1.034 114.637 115.700 -0.048 0.000 2.399 321 S HA -0.250 4.220 4.470 -0.000 0.000 0.231 321 S C 1.841 176.393 174.600 -0.081 0.000 1.022 321 S CA 1.148 59.289 58.200 -0.098 0.000 0.983 321 S CB -0.232 62.856 63.200 -0.187 0.000 0.803 321 S HN 0.438 nan 8.310 nan 0.000 0.480 322 Q N -0.094 119.677 119.800 -0.048 0.000 2.050 322 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 322 Q C 2.477 178.637 176.000 0.265 0.000 0.980 322 Q CA 1.596 57.446 55.803 0.078 0.000 0.840 322 Q CB -0.377 28.468 28.738 0.180 0.000 0.898 322 Q HN 0.555 nan 8.270 nan 0.000 0.424 323 C N 0.313 119.739 119.300 0.209 0.000 2.432 323 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 323 C C 2.553 177.643 174.990 0.167 0.000 1.249 323 C CA 0.528 59.680 59.018 0.224 0.000 1.725 323 C CB -0.974 26.844 27.740 0.131 0.000 2.028 323 C HN 0.493 nan 8.230 nan 0.000 0.477 324 L N -0.285 120.987 121.223 0.081 0.000 2.083 324 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 324 L C 2.429 179.297 176.870 -0.002 0.000 1.083 324 L CA 1.480 56.335 54.840 0.025 0.000 0.752 324 L CB -0.755 41.295 42.059 -0.016 0.000 0.899 324 L HN 0.337 nan 8.230 nan 0.000 0.433 325 F N 0.170 120.008 119.950 -0.186 0.000 2.069 325 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 325 F C 2.036 177.637 175.800 -0.331 0.000 1.113 325 F CA 1.554 59.343 58.000 -0.351 0.000 1.214 325 F CB -0.496 38.179 39.000 -0.542 0.000 0.978 325 F HN -0.031 nan 8.300 nan 0.000 0.474 326 W N 0.177 121.475 121.300 -0.004 0.000 2.402 326 W HA -0.005 4.655 4.660 -0.000 0.000 0.286 326 W C 2.573 178.999 176.519 -0.155 0.000 1.221 326 W CA 1.066 58.331 57.345 -0.133 0.000 1.257 326 W CB -0.835 28.646 29.460 0.036 0.000 1.120 326 W HN 0.103 nan 8.180 nan 0.000 0.551 327 A N 0.339 123.210 122.820 0.085 0.000 1.972 327 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 327 A C 1.985 179.531 177.584 -0.064 0.000 1.169 327 A CA 1.268 53.319 52.037 0.022 0.000 0.635 327 A CB -0.848 18.166 19.000 0.023 0.000 0.810 327 A HN 0.332 nan 8.150 nan 0.000 0.446 328 L N 0.128 121.251 121.223 -0.166 0.000 1.994 328 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 328 L C 2.426 179.144 176.870 -0.253 0.000 1.071 328 L CA 2.150 56.851 54.840 -0.232 0.000 0.745 328 L CB -0.679 41.175 42.059 -0.343 0.000 0.892 328 L HN 0.277 nan 8.230 nan 0.000 0.431 329 V N 0.815 120.506 119.914 -0.372 0.000 2.255 329 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 329 V C 2.981 179.006 176.094 -0.115 0.000 1.051 329 V CA 1.832 63.965 62.300 -0.278 0.000 1.018 329 V CB -1.270 30.427 31.823 -0.210 0.000 0.641 329 V HN 0.610 nan 8.190 nan 0.000 0.445 330 A N -0.128 122.670 122.820 -0.036 0.000 1.972 330 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 330 A C 2.024 179.597 177.584 -0.018 0.000 1.169 330 A CA 2.221 54.253 52.037 -0.007 0.000 0.635 330 A CB -0.681 18.333 19.000 0.022 0.000 0.810 330 A HN 0.634 nan 8.150 nan 0.000 0.446 331 D N -0.392 119.988 120.400 -0.033 0.000 2.144 331 D HA -0.073 4.567 4.640 -0.000 0.000 0.200 331 D C 1.813 178.090 176.300 -0.038 0.000 0.978 331 D CA 0.993 54.985 54.000 -0.013 0.000 0.833 331 D CB -0.158 40.640 40.800 -0.002 0.000 0.961 331 D HN 0.425 nan 8.370 nan 0.000 0.470 332 L N -0.143 121.016 121.223 -0.106 0.000 2.046 332 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 332 L C 2.308 179.098 176.870 -0.134 0.000 1.077 332 L CA 0.403 55.127 54.840 -0.193 0.000 0.747 332 L CB -0.429 41.408 42.059 -0.369 0.000 0.896 332 L HN 0.205 nan 8.230 nan 0.000 0.432 333 L N -0.511 120.654 121.223 -0.097 0.000 2.131 333 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 333 L C 2.401 179.290 176.870 0.032 0.000 1.092 333 L CA 1.991 56.798 54.840 -0.054 0.000 0.759 333 L CB -0.804 41.230 42.059 -0.042 0.000 0.903 333 L HN 0.167 nan 8.230 nan 0.000 0.435 334 T N -0.369 114.226 114.554 0.067 0.000 2.737 334 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 334 T C 1.867 176.649 174.700 0.136 0.000 1.038 334 T CA 1.203 63.427 62.100 0.207 0.000 1.144 334 T CB -0.246 68.730 68.868 0.180 0.000 0.866 334 T HN 0.120 nan 8.240 nan 0.000 0.434 335 L N 1.427 122.664 121.223 0.024 0.000 2.081 335 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 335 L C 2.729 179.570 176.870 -0.050 0.000 1.080 335 L CA 1.807 56.624 54.840 -0.038 0.000 0.754 335 L CB -1.992 40.051 42.059 -0.026 0.000 0.893 335 L HN 0.312 nan 8.230 nan 0.000 0.433 336 T N -1.759 112.789 114.554 -0.011 0.000 2.674 336 T HA -0.246 4.104 4.350 -0.000 0.000 0.265 336 T C 1.432 176.120 174.700 -0.020 0.000 1.039 336 T CA 1.496 63.570 62.100 -0.044 0.000 1.150 336 T CB -0.458 68.347 68.868 -0.105 0.000 0.864 336 T HN 0.542 nan 8.240 nan 0.000 0.427 337 W N 2.396 123.607 121.300 -0.147 0.000 2.315 337 W HA -0.173 4.487 4.660 -0.000 0.000 0.323 337 W C 1.685 178.080 176.519 -0.207 0.000 1.233 337 W CA 0.828 58.077 57.345 -0.161 0.000 1.267 337 W CB -0.851 28.524 29.460 -0.142 0.000 1.160 337 W HN 0.081 nan 8.180 nan 0.000 0.474 338 I N 1.421 121.616 120.570 -0.624 0.000 2.286 338 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 338 I C 2.553 178.379 176.117 -0.485 0.000 1.115 338 I CA 1.920 62.703 61.300 -0.861 0.000 1.392 338 I CB -2.092 35.527 38.000 -0.635 0.000 1.065 338 I HN 0.288 nan 8.210 nan 0.000 0.418 339 G N 0.304 108.935 108.800 -0.282 0.000 2.448 339 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.219 339 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.219 339 G C 1.499 176.369 174.900 -0.050 0.000 1.127 339 G CA 0.742 45.758 45.100 -0.140 0.000 0.766 339 G HN 0.515 nan 8.290 nan 0.000 0.552 340 G N -1.184 107.535 108.800 -0.135 0.000 3.314 340 G HA2 0.417 4.377 3.960 -0.000 0.000 0.238 340 G HA3 0.417 4.377 3.960 -0.000 0.000 0.238 340 G C 0.275 175.100 174.900 -0.126 0.000 1.184 340 G CA -0.129 44.922 45.100 -0.082 0.000 0.806 340 G HN 0.282 nan 8.290 nan 0.000 0.536 341 Q N -0.111 119.549 119.800 -0.232 0.000 2.433 341 Q HA 0.507 4.847 4.340 -0.000 0.000 0.279 341 Q C -2.556 173.388 176.000 -0.094 0.000 1.105 341 Q CA -2.157 53.476 55.803 -0.283 0.000 0.815 341 Q CB 2.445 30.684 28.738 -0.832 0.000 1.403 341 Q HN -0.057 nan 8.270 nan 0.000 0.435 342 P HA 0.012 nan 4.420 nan 0.000 0.269 342 P C -0.620 176.757 177.300 0.129 0.000 1.209 342 P CA -0.326 62.869 63.100 0.158 0.000 0.776 342 P CB 0.498 32.309 31.700 0.184 0.000 0.876 343 V N 3.727 123.689 119.914 0.081 0.000 2.180 343 V HA 0.048 4.167 4.120 -0.000 0.000 0.238 343 V C 0.180 176.302 176.094 0.046 0.000 1.337 343 V CA 0.984 63.300 62.300 0.026 0.000 1.338 343 V CB -1.403 30.408 31.823 -0.021 0.000 1.431 343 V HN 0.430 nan 8.190 nan 0.000 0.498 344 E N 2.000 122.240 120.200 0.066 0.000 2.442 344 E HA 0.246 4.596 4.350 -0.000 0.000 0.261 344 E C 0.811 177.402 176.600 -0.015 0.000 0.935 344 E CA -0.551 55.870 56.400 0.035 0.000 0.856 344 E CB 0.873 30.599 29.700 0.043 0.000 1.571 344 E HN 0.593 nan 8.360 nan 0.000 0.431 345 H N 1.448 120.458 119.070 -0.100 0.000 2.314 345 H HA -0.160 4.396 4.556 -0.000 0.000 0.288 345 H C -1.048 174.196 175.328 -0.139 0.000 1.091 345 H CA 3.226 59.207 56.048 -0.112 0.000 1.155 345 H CB -0.883 28.818 29.762 -0.102 0.000 1.362 345 H HN 0.167 nan 8.280 nan 0.000 0.530 346 P HA -0.121 nan 4.420 nan 0.000 0.215 346 P C 1.406 178.512 177.300 -0.323 0.000 1.157 346 P CA 1.406 64.097 63.100 -0.682 0.000 0.859 346 P CB -0.487 30.897 31.700 -0.528 0.000 0.786 347 Y N 0.251 120.419 120.300 -0.221 0.000 2.207 347 Y HA -0.123 4.427 4.550 -0.000 0.000 0.287 347 Y C 2.450 178.207 175.900 -0.238 0.000 1.156 347 Y CA 0.247 58.183 58.100 -0.273 0.000 1.182 347 Y CB -1.950 36.333 38.460 -0.295 0.000 0.979 347 Y HN 0.006 nan 8.280 nan 0.000 0.521 348 I N -1.878 118.667 120.570 -0.041 0.000 2.439 348 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 348 I C 1.912 177.989 176.117 -0.066 0.000 1.139 348 I CA 1.898 63.161 61.300 -0.061 0.000 1.438 348 I CB -0.520 37.452 38.000 -0.047 0.000 1.085 348 I HN -0.011 nan 8.210 nan 0.000 0.427 349 T N 1.700 116.208 114.554 -0.078 0.000 2.812 349 T HA 0.060 4.410 4.350 -0.000 0.000 0.264 349 T C 1.934 176.612 174.700 -0.037 0.000 1.042 349 T CA 1.829 63.895 62.100 -0.057 0.000 1.140 349 T CB -0.282 68.541 68.868 -0.074 0.000 0.870 349 T HN 0.327 nan 8.240 nan 0.000 0.445 350 I N 1.275 121.824 120.570 -0.036 0.000 2.163 350 I HA -0.149 4.021 4.170 -0.000 0.000 0.243 350 I C 2.859 178.958 176.117 -0.030 0.000 1.085 350 I CA 1.406 62.709 61.300 0.004 0.000 1.347 350 I CB -0.688 37.340 38.000 0.047 0.000 1.044 350 I HN 0.315 nan 8.210 nan 0.000 0.408 351 G N -0.261 108.487 108.800 -0.087 0.000 2.448 351 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 351 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 351 G C 1.573 176.438 174.900 -0.059 0.000 1.127 351 G CA 0.427 45.462 45.100 -0.109 0.000 0.766 351 G HN 0.437 nan 8.290 nan 0.000 0.552 352 Q N -0.979 118.799 119.800 -0.035 0.000 2.163 352 Q HA 0.146 4.486 4.340 -0.000 0.000 0.198 352 Q C 2.344 178.358 176.000 0.023 0.000 0.954 352 Q CA 0.255 56.054 55.803 -0.008 0.000 0.851 352 Q CB -0.046 28.684 28.738 -0.012 0.000 0.928 352 Q HN 0.301 nan 8.270 nan 0.000 0.459 353 L N 0.224 121.460 121.223 0.021 0.000 2.156 353 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 353 L C 2.157 179.058 176.870 0.053 0.000 1.095 353 L CA 1.547 56.410 54.840 0.039 0.000 0.770 353 L CB -1.011 41.068 42.059 0.034 0.000 0.914 353 L HN 0.141 nan 8.230 nan 0.000 0.439 354 A N -1.713 121.133 122.820 0.043 0.000 1.930 354 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 354 A C 2.509 180.135 177.584 0.070 0.000 1.175 354 A CA 1.746 53.811 52.037 0.048 0.000 0.627 354 A CB -0.601 18.416 19.000 0.027 0.000 0.815 354 A HN 0.386 nan 8.150 nan 0.000 0.443 355 S N -0.540 115.205 115.700 0.075 0.000 2.368 355 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 355 S C 2.079 176.862 174.600 0.305 0.000 1.030 355 S CA 1.584 59.881 58.200 0.161 0.000 0.999 355 S CB -0.611 62.676 63.200 0.144 0.000 0.844 355 S HN 0.889 nan 8.310 nan 0.000 0.459 356 V N 0.631 120.672 119.914 0.212 0.000 2.427 356 V HA -0.026 4.094 4.120 -0.000 0.000 0.248 356 V C 1.999 178.214 176.094 0.202 0.000 1.051 356 V CA 1.377 63.815 62.300 0.229 0.000 1.048 356 V CB -0.659 31.240 31.823 0.128 0.000 0.666 356 V HN 0.371 nan 8.190 nan 0.000 0.456 357 L N -0.339 120.964 121.223 0.133 0.000 2.017 357 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 357 L C 2.448 179.354 176.870 0.059 0.000 1.073 357 L CA 2.711 57.600 54.840 0.082 0.000 0.745 357 L CB -0.967 41.126 42.059 0.057 0.000 0.894 357 L HN 0.570 nan 8.230 nan 0.000 0.432 358 Y N -0.348 119.899 120.300 -0.088 0.000 2.053 358 Y HA -0.359 4.191 4.550 -0.000 0.000 0.277 358 Y C 2.138 177.893 175.900 -0.242 0.000 1.159 358 Y CA 2.306 60.259 58.100 -0.244 0.000 1.125 358 Y CB -0.763 37.447 38.460 -0.417 0.000 0.969 358 Y HN 0.207 nan 8.280 nan 0.000 0.492 359 F N -0.917 119.079 119.950 0.077 0.000 2.186 359 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 359 F C 2.233 178.014 175.800 -0.032 0.000 1.090 359 F CA 1.006 59.006 58.000 0.000 0.000 1.307 359 F CB -0.744 38.361 39.000 0.174 0.000 1.019 359 F HN 0.165 nan 8.300 nan 0.000 0.489 360 L N 0.668 121.990 121.223 0.165 0.000 2.046 360 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 360 L C 2.158 179.030 176.870 0.004 0.000 1.077 360 L CA 1.625 56.515 54.840 0.083 0.000 0.747 360 L CB -0.751 41.351 42.059 0.072 0.000 0.896 360 L HN 0.211 nan 8.230 nan 0.000 0.432 361 L N -2.560 118.632 121.223 -0.051 0.000 2.156 361 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 361 L C 2.200 178.984 176.870 -0.143 0.000 1.095 361 L CA 1.643 56.427 54.840 -0.094 0.000 0.770 361 L CB -1.139 40.863 42.059 -0.094 0.000 0.914 361 L HN 0.168 nan 8.230 nan 0.000 0.439 362 I N -0.719 119.724 120.570 -0.212 0.000 2.235 362 I HA -0.146 4.024 4.170 -0.000 0.000 0.241 362 I C 2.248 178.292 176.117 -0.123 0.000 1.085 362 I CA 0.835 61.996 61.300 -0.232 0.000 1.378 362 I CB -0.178 37.594 38.000 -0.379 0.000 1.076 362 I HN 0.240 nan 8.210 nan 0.000 0.415 363 L N -0.423 120.774 121.223 -0.043 0.000 2.376 363 L HA -0.038 4.302 4.340 -0.000 0.000 0.219 363 L C 1.608 178.478 176.870 0.001 0.000 1.133 363 L CA 1.372 56.222 54.840 0.017 0.000 0.816 363 L CB 0.175 42.301 42.059 0.112 0.000 0.933 363 L HN 0.038 nan 8.230 nan 0.000 0.449 364 V N -3.361 116.544 119.914 -0.015 0.000 3.359 364 V HA 0.021 4.141 4.120 -0.000 0.000 0.204 364 V C 1.603 177.679 176.094 -0.030 0.000 1.410 364 V CA 0.023 62.314 62.300 -0.014 0.000 1.303 364 V CB 0.237 32.063 31.823 0.005 0.000 1.198 364 V HN -0.003 nan 8.190 nan 0.000 0.531 365 L N -0.158 121.043 121.223 -0.036 0.000 1.976 365 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 365 L C 2.351 179.185 176.870 -0.059 0.000 1.071 365 L CA 2.413 57.229 54.840 -0.040 0.000 0.746 365 L CB -0.832 41.205 42.059 -0.037 0.000 0.890 365 L HN 0.267 nan 8.230 nan 0.000 0.432 366 M N -0.944 118.606 119.600 -0.084 0.000 2.073 366 M HA -0.211 4.269 4.480 -0.000 0.000 0.258 366 M C -0.299 175.934 176.300 -0.112 0.000 1.070 366 M CA 2.465 57.701 55.300 -0.107 0.000 1.103 366 M CB -1.254 31.264 32.600 -0.137 0.000 1.321 366 M HN 0.102 nan 8.290 nan 0.000 0.405 367 P HA -0.115 nan 4.420 nan 0.000 0.218 367 P C 1.138 178.394 177.300 -0.073 0.000 1.148 367 P CA 1.413 64.455 63.100 -0.097 0.000 0.822 367 P CB -0.201 31.457 31.700 -0.071 0.000 0.784 368 T N -1.077 113.444 114.554 -0.054 0.000 2.904 368 T HA -0.011 4.339 4.350 -0.000 0.000 0.267 368 T C 1.874 176.551 174.700 -0.038 0.000 1.059 368 T CA 1.267 63.344 62.100 -0.037 0.000 1.137 368 T CB -0.737 68.116 68.868 -0.025 0.000 0.879 368 T HN 0.032 nan 8.240 nan 0.000 0.467 369 A N 1.531 124.322 122.820 -0.048 0.000 1.902 369 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 369 A C 2.612 180.165 177.584 -0.052 0.000 1.181 369 A CA 1.836 53.846 52.037 -0.044 0.000 0.623 369 A CB -1.370 17.599 19.000 -0.053 0.000 0.818 369 A HN 0.495 nan 8.150 nan 0.000 0.443 370 G N -1.132 107.617 108.800 -0.086 0.000 2.440 370 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 370 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 370 G C 1.550 176.419 174.900 -0.053 0.000 1.154 370 G CA 1.667 46.705 45.100 -0.103 0.000 0.767 370 G HN 0.440 nan 8.290 nan 0.000 0.552 371 T N 1.698 116.226 114.554 -0.043 0.000 2.867 371 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 371 T C 2.351 177.055 174.700 0.006 0.000 1.057 371 T CA 1.183 63.274 62.100 -0.016 0.000 1.136 371 T CB -0.173 68.684 68.868 -0.018 0.000 0.874 371 T HN 0.510 nan 8.240 nan 0.000 0.466 372 I N -0.218 120.353 120.570 0.001 0.000 2.876 372 I HA 0.138 4.308 4.170 -0.000 0.000 0.264 372 I C 2.004 178.136 176.117 0.026 0.000 1.204 372 I CA 0.936 62.243 61.300 0.013 0.000 1.485 372 I CB -0.576 37.428 38.000 0.006 0.000 1.103 372 I HN 0.174 nan 8.210 nan 0.000 0.446 373 E N 1.854 122.070 120.200 0.027 0.000 2.107 373 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 373 E C 1.739 178.402 176.600 0.104 0.000 0.982 373 E CA 0.935 57.366 56.400 0.051 0.000 0.809 373 E CB -0.074 29.651 29.700 0.042 0.000 0.756 373 E HN 0.486 nan 8.360 nan 0.000 0.459 374 N N 1.066 119.837 118.700 0.118 0.000 2.120 374 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 374 N C 1.493 177.104 175.510 0.169 0.000 1.024 374 N CA 1.042 54.217 53.050 0.208 0.000 0.852 374 N CB -0.050 38.522 38.487 0.141 0.000 1.003 374 N HN 0.109 nan 8.380 nan 0.000 0.424 375 K N 0.593 121.048 120.400 0.092 0.000 2.062 375 K HA 0.052 4.372 4.320 -0.000 0.000 0.205 375 K C 2.078 178.702 176.600 0.039 0.000 1.051 375 K CA 0.503 56.828 56.287 0.063 0.000 0.941 375 K CB -0.209 32.314 32.500 0.039 0.000 0.719 375 K HN 0.129 nan 8.250 nan 0.000 0.440 376 L N 0.936 122.178 121.223 0.031 0.000 2.127 376 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 376 L C 2.104 178.959 176.870 -0.024 0.000 1.089 376 L CA 1.087 55.930 54.840 0.005 0.000 0.757 376 L CB -0.280 41.784 42.059 0.009 0.000 0.899 376 L HN 0.196 nan 8.230 nan 0.000 0.434 377 L N -0.829 120.380 121.223 -0.024 0.000 2.591 377 L HA -0.019 4.321 4.340 -0.000 0.000 0.228 377 L C 0.961 177.717 176.870 -0.189 0.000 1.133 377 L CA 0.254 55.007 54.840 -0.145 0.000 0.880 377 L CB -0.020 41.899 42.059 -0.233 0.000 1.033 377 L HN 0.247 nan 8.230 nan 0.000 0.450 378 K N -2.509 117.859 120.400 -0.054 0.000 3.446 378 K HA -0.207 4.113 4.320 -0.000 0.000 0.312 378 K C -0.005 176.623 176.600 0.047 0.000 1.329 378 K CA 0.514 56.785 56.287 -0.027 0.000 0.935 378 K CB -1.295 31.160 32.500 -0.075 0.000 1.281 378 K HN 0.234 nan 8.250 nan 0.000 0.457 379 W N 0.000 121.295 121.300 -0.009 0.000 2.388 379 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 379 W CA 0.000 57.341 57.345 -0.007 0.000 1.226 379 W CB 0.000 29.457 29.460 -0.006 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535