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 1lwd_1_B DATA FIRST_RESID 1 DATA SEQUENCE ADQRIKVAKP VVEMDGDEMT RIIWQFIKEK LILPHVDVQL KYFDLGLPNR DATA SEQUENCE DQTNDQVTID SALATQKYSV AVKCATITPD EARVEEFKLK KMWKSPNGTI DATA SEQUENCE RNILGGTVFR EPIICKNIPR LVPGWTKPIT IGRHAHGDQY KATDFVVDRA DATA SEQUENCE GTFKIVFTPK DGSSAKQWEV YNFPAGGVGM GMYNTDESIS GFAHSCFQYA DATA SEQUENCE IQKKWPLYMS TKNTILKAYD GRFKDIFQEI FEKHYKTDFD KYKIWYEHRL DATA SEQUENCE IDDMVAQVLK SSGGFVWACK NYDGDVQSDI LAQGFGSLGL MTSVLVCPDG DATA SEQUENCE KTIEAEAAHG TVTRHYREHQ KGRPTSTNPI ASIFAWTRGL EHRGKLDGNQ DATA SEQUENCE DLIRFAQTLE KVCVETVESG AMTKDLAGCI HGLSNVKLNE HFLNTSDFLD DATA SEQUENCE TIKSNLDRAL GRQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.552 177.584 -0.054 0.000 1.274 1 A CA 0.000 52.012 52.037 -0.041 0.000 0.836 1 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 2 D N 0.042 120.411 120.400 -0.052 0.000 2.473 2 D HA 0.527 5.167 4.640 -0.000 0.000 0.226 2 D C 0.093 176.356 176.300 -0.061 0.000 1.089 2 D CA 0.042 54.004 54.000 -0.063 0.000 0.883 2 D CB 1.384 42.150 40.800 -0.056 0.000 1.029 2 D HN 0.369 nan 8.370 nan 0.000 0.517 3 Q N 1.948 121.705 119.800 -0.073 0.000 2.220 3 Q HA 0.245 4.585 4.340 -0.000 0.000 0.205 3 Q C 0.045 176.000 176.000 -0.075 0.000 0.865 3 Q CA -0.203 55.563 55.803 -0.062 0.000 0.960 3 Q CB 0.255 28.962 28.738 -0.051 0.000 1.097 3 Q HN 0.369 nan 8.270 nan 0.000 0.493 4 R N 0.046 120.487 120.500 -0.098 0.000 2.697 4 R HA 0.043 4.382 4.340 -0.000 0.000 0.265 4 R C -0.171 176.068 176.300 -0.102 0.000 1.009 4 R CA 0.244 56.273 56.100 -0.119 0.000 1.099 4 R CB 0.331 30.557 30.300 -0.123 0.000 0.965 4 R HN 0.218 nan 8.270 nan 0.000 0.428 5 I N 3.154 123.644 120.570 -0.134 0.000 2.471 5 I HA 0.002 4.172 4.170 -0.000 0.000 0.286 5 I C 0.422 176.487 176.117 -0.088 0.000 1.079 5 I CA 0.247 61.483 61.300 -0.108 0.000 1.398 5 I CB 0.563 38.475 38.000 -0.147 0.000 1.403 5 I HN 0.300 nan 8.210 nan 0.000 0.530 6 K N 5.802 126.169 120.400 -0.056 0.000 2.297 6 K HA 0.443 4.763 4.320 -0.000 0.000 0.286 6 K C -0.941 175.640 176.600 -0.031 0.000 1.053 6 K CA -0.521 55.741 56.287 -0.042 0.000 0.940 6 K CB 1.390 33.872 32.500 -0.031 0.000 1.019 6 K HN 0.310 nan 8.250 nan 0.000 0.475 7 V N 2.702 122.602 119.914 -0.025 0.000 2.384 7 V HA 0.172 4.292 4.120 -0.000 0.000 0.287 7 V C 0.882 176.973 176.094 -0.004 0.000 1.020 7 V CA -0.440 61.854 62.300 -0.009 0.000 0.850 7 V CB 1.187 33.011 31.823 0.001 0.000 0.987 7 V HN 0.993 nan 8.190 nan 0.000 0.436 8 A N 4.754 127.575 122.820 0.001 0.000 1.968 8 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 8 A C 1.114 178.706 177.584 0.013 0.000 1.169 8 A CA 1.137 53.178 52.037 0.006 0.000 0.638 8 A CB 0.032 19.037 19.000 0.008 0.000 0.812 8 A HN 0.594 nan 8.150 nan 0.000 0.446 9 K N -0.226 120.186 120.400 0.019 0.000 2.208 9 K HA 0.476 4.796 4.320 -0.000 0.000 0.247 9 K C -2.956 173.646 176.600 0.003 0.000 0.953 9 K CA -2.599 53.706 56.287 0.030 0.000 0.837 9 K CB 1.330 33.869 32.500 0.065 0.000 1.131 9 K HN 0.073 nan 8.250 nan 0.000 0.431 10 P HA 0.264 nan 4.420 nan 0.000 0.276 10 P C -0.613 176.658 177.300 -0.047 0.000 1.261 10 P CA -0.496 62.526 63.100 -0.130 0.000 0.800 10 P CB 0.834 32.294 31.700 -0.400 0.000 1.066 11 V N 1.003 120.912 119.914 -0.008 0.000 2.588 11 V HA 0.172 4.292 4.120 -0.000 0.000 0.304 11 V C 0.240 176.380 176.094 0.077 0.000 1.042 11 V CA -0.900 61.437 62.300 0.062 0.000 0.877 11 V CB 2.213 34.094 31.823 0.096 0.000 0.996 11 V HN 0.250 nan 8.190 nan 0.000 0.425 12 V N 4.044 124.026 119.914 0.113 0.000 2.555 12 V HA 0.273 4.392 4.120 -0.000 0.000 0.286 12 V C 0.292 176.461 176.094 0.126 0.000 1.044 12 V CA -0.064 62.340 62.300 0.175 0.000 1.026 12 V CB 1.271 33.196 31.823 0.169 0.000 0.981 12 V HN 0.924 nan 8.190 nan 0.000 0.480 13 E N 5.184 125.508 120.200 0.206 0.000 2.165 13 E HA 0.507 4.856 4.350 -0.000 0.000 0.266 13 E C -1.143 175.528 176.600 0.119 0.000 0.889 13 E CA -0.709 55.808 56.400 0.196 0.000 0.756 13 E CB 1.291 31.230 29.700 0.398 0.000 1.131 13 E HN 0.649 nan 8.360 nan 0.000 0.411 14 M N 3.746 123.340 119.600 -0.011 0.000 2.047 14 M HA 0.233 4.713 4.480 -0.000 0.000 0.342 14 M C -0.491 175.602 176.300 -0.345 0.000 1.058 14 M CA -0.736 54.462 55.300 -0.171 0.000 0.991 14 M CB 1.202 33.680 32.600 -0.203 0.000 1.474 14 M HN 0.324 nan 8.290 nan 0.000 0.419 15 D N 1.978 122.175 120.400 -0.337 0.000 2.362 15 D HA 0.469 5.109 4.640 -0.000 0.000 0.242 15 D C 0.122 176.197 176.300 -0.374 0.000 1.132 15 D CA 0.450 54.247 54.000 -0.340 0.000 0.907 15 D CB 1.444 42.214 40.800 -0.051 0.000 1.195 15 D HN 0.715 nan 8.370 nan 0.000 0.429 16 G N 1.449 110.002 108.800 -0.411 0.000 3.135 16 G HA2 0.349 4.309 3.960 -0.000 0.000 0.159 16 G HA3 0.349 4.309 3.960 -0.000 0.000 0.159 16 G C -0.701 174.079 174.900 -0.199 0.000 1.244 16 G CA -0.385 44.527 45.100 -0.314 0.000 0.965 16 G HN 0.468 nan 8.290 nan 0.000 0.599 17 D N -0.350 119.933 120.400 -0.194 0.000 2.374 17 D HA 0.375 5.015 4.640 -0.000 0.000 0.239 17 D C 0.262 176.408 176.300 -0.257 0.000 0.991 17 D CA -0.221 53.670 54.000 -0.182 0.000 0.960 17 D CB 2.140 42.842 40.800 -0.164 0.000 1.284 17 D HN 0.594 nan 8.370 nan 0.000 0.512 18 E N -0.447 119.479 120.200 -0.457 0.000 3.498 18 E HA -0.355 3.995 4.350 -0.000 0.000 0.395 18 E C 1.095 177.320 176.600 -0.626 0.000 1.577 18 E CA 1.177 56.956 56.400 -1.035 0.000 1.700 18 E CB -0.683 28.624 29.700 -0.655 0.000 1.647 18 E HN 0.341 nan 8.360 nan 0.000 0.442 19 M N 1.087 120.539 119.600 -0.248 0.000 2.159 19 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 19 M C 2.337 178.633 176.300 -0.007 0.000 1.063 19 M CA 2.781 58.093 55.300 0.020 0.000 1.110 19 M CB -0.495 32.198 32.600 0.155 0.000 1.374 19 M HN 0.585 nan 8.290 nan 0.000 0.411 20 T N -2.041 112.515 114.554 0.003 0.000 2.833 20 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 20 T C 1.984 176.723 174.700 0.066 0.000 1.054 20 T CA 1.451 63.600 62.100 0.082 0.000 1.135 20 T CB -0.593 68.317 68.868 0.070 0.000 0.869 20 T HN 0.483 nan 8.240 nan 0.000 0.466 21 R N 0.603 121.076 120.500 -0.045 0.000 2.081 21 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 21 R C 2.217 178.532 176.300 0.025 0.000 1.131 21 R CA 1.211 57.302 56.100 -0.016 0.000 0.960 21 R CB -0.312 29.941 30.300 -0.078 0.000 0.856 21 R HN 0.308 nan 8.270 nan 0.000 0.436 22 I N 1.889 122.389 120.570 -0.116 0.000 2.142 22 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 22 I C 2.502 178.279 176.117 -0.567 0.000 1.078 22 I CA 1.372 62.453 61.300 -0.364 0.000 1.343 22 I CB -1.102 36.568 38.000 -0.551 0.000 1.046 22 I HN 0.342 nan 8.210 nan 0.000 0.405 23 I N -2.416 117.989 120.570 -0.274 0.000 2.614 23 I HA -0.230 3.940 4.170 -0.000 0.000 0.258 23 I C 2.591 178.812 176.117 0.172 0.000 1.189 23 I CA 1.029 62.287 61.300 -0.069 0.000 1.462 23 I CB -0.714 37.395 38.000 0.182 0.000 1.092 23 I HN 0.308 nan 8.210 nan 0.000 0.442 24 W N 2.400 123.721 121.300 0.035 0.000 2.355 24 W HA -0.267 4.393 4.660 -0.000 0.000 0.309 24 W C 2.444 179.047 176.519 0.140 0.000 1.206 24 W CA 2.029 59.479 57.345 0.176 0.000 1.284 24 W CB -0.136 29.442 29.460 0.196 0.000 1.145 24 W HN 0.313 nan 8.180 nan 0.000 0.502 25 Q N 0.268 120.215 119.800 0.245 0.000 2.079 25 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 25 Q C 2.054 178.155 176.000 0.167 0.000 0.974 25 Q CA 1.893 57.785 55.803 0.149 0.000 0.840 25 Q CB -1.160 27.656 28.738 0.130 0.000 0.898 25 Q HN 0.150 nan 8.270 nan 0.000 0.430 26 F N 0.155 120.144 119.950 0.065 0.000 2.095 26 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 26 F C 2.135 177.905 175.800 -0.050 0.000 1.104 26 F CA 0.714 58.732 58.000 0.029 0.000 1.232 26 F CB -0.995 38.051 39.000 0.077 0.000 0.987 26 F HN 0.118 nan 8.300 nan 0.000 0.475 27 I N -0.144 120.495 120.570 0.115 0.000 2.163 27 I HA -0.351 3.818 4.170 -0.000 0.000 0.243 27 I C 2.378 178.291 176.117 -0.340 0.000 1.085 27 I CA 1.479 62.707 61.300 -0.119 0.000 1.347 27 I CB -0.472 37.403 38.000 -0.207 0.000 1.044 27 I HN 0.087 nan 8.210 nan 0.000 0.408 28 K N 0.680 120.799 120.400 -0.469 0.000 2.009 28 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 28 K C 2.024 178.462 176.600 -0.270 0.000 1.049 28 K CA 1.773 57.727 56.287 -0.554 0.000 0.929 28 K CB -0.170 32.071 32.500 -0.432 0.000 0.714 28 K HN 0.386 nan 8.250 nan 0.000 0.440 29 E N 0.477 120.607 120.200 -0.116 0.000 2.106 29 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 29 E C 1.844 178.412 176.600 -0.053 0.000 0.984 29 E CA 1.070 57.438 56.400 -0.054 0.000 0.806 29 E CB 0.101 29.815 29.700 0.023 0.000 0.750 29 E HN 0.252 nan 8.360 nan 0.000 0.458 30 K N 0.029 120.403 120.400 -0.042 0.000 2.202 30 K HA 0.100 4.420 4.320 -0.000 0.000 0.201 30 K C 1.994 178.592 176.600 -0.004 0.000 1.051 30 K CA 0.536 56.804 56.287 -0.031 0.000 0.977 30 K CB 0.371 32.852 32.500 -0.031 0.000 0.792 30 K HN 0.055 nan 8.250 nan 0.000 0.469 31 L N 0.019 121.223 121.223 -0.032 0.000 2.467 31 L HA 0.101 4.441 4.340 -0.000 0.000 0.213 31 L C 1.859 178.792 176.870 0.106 0.000 1.053 31 L CA 0.021 54.880 54.840 0.033 0.000 0.847 31 L CB -0.028 42.003 42.059 -0.047 0.000 1.075 31 L HN 0.030 nan 8.230 nan 0.000 0.479 32 I N 0.266 120.774 120.570 -0.104 0.000 2.405 32 I HA -0.111 4.059 4.170 -0.000 0.000 0.236 32 I C 2.474 178.508 176.117 -0.139 0.000 1.071 32 I CA 1.157 62.373 61.300 -0.140 0.000 1.398 32 I CB -1.021 36.682 38.000 -0.496 0.000 1.162 32 I HN 0.137 nan 8.210 nan 0.000 0.432 33 L N 0.912 122.025 121.223 -0.184 0.000 2.081 33 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 33 L C -0.271 176.519 176.870 -0.134 0.000 1.080 33 L CA 1.710 56.463 54.840 -0.144 0.000 0.754 33 L CB -2.031 39.950 42.059 -0.129 0.000 0.893 33 L HN 0.206 nan 8.230 nan 0.000 0.433 34 P HA -0.105 nan 4.420 nan 0.000 0.221 34 P C 0.852 177.944 177.300 -0.347 0.000 1.150 34 P CA 1.427 64.397 63.100 -0.216 0.000 0.800 34 P CB 0.098 31.668 31.700 -0.217 0.000 0.787 35 H N -2.887 116.063 119.070 -0.200 0.000 2.750 35 H HA 0.235 4.790 4.556 -0.000 0.000 0.263 35 H C 0.012 175.060 175.328 -0.467 0.000 0.964 35 H CA 0.081 55.931 56.048 -0.331 0.000 1.205 35 H CB 0.602 30.097 29.762 -0.446 0.000 1.454 35 H HN -0.149 nan 8.280 nan 0.000 0.503 36 V N 1.083 120.825 119.914 -0.287 0.000 2.577 36 V HA 0.118 4.238 4.120 -0.000 0.000 0.303 36 V C -0.868 175.139 176.094 -0.145 0.000 1.042 36 V CA -1.065 61.077 62.300 -0.263 0.000 0.872 36 V CB 2.094 33.738 31.823 -0.298 0.000 0.998 36 V HN 0.153 nan 8.190 nan 0.000 0.423 37 D N 3.838 124.172 120.400 -0.110 0.000 2.500 37 D HA 0.351 4.991 4.640 -0.000 0.000 0.219 37 D C -0.691 175.583 176.300 -0.043 0.000 1.137 37 D CA 0.124 54.081 54.000 -0.071 0.000 0.946 37 D CB 1.255 42.017 40.800 -0.064 0.000 1.022 37 D HN 0.353 nan 8.370 nan 0.000 0.518 38 V N 3.281 123.182 119.914 -0.022 0.000 2.628 38 V HA 0.396 4.516 4.120 -0.000 0.000 0.306 38 V C -0.736 175.369 176.094 0.020 0.000 1.045 38 V CA -0.831 61.476 62.300 0.011 0.000 0.905 38 V CB 1.925 33.781 31.823 0.055 0.000 0.997 38 V HN 0.493 nan 8.190 nan 0.000 0.436 39 Q N 5.299 125.102 119.800 0.005 0.000 2.314 39 Q HA 0.466 4.806 4.340 -0.000 0.000 0.257 39 Q C -1.470 174.535 176.000 0.009 0.000 0.975 39 Q CA -0.374 55.425 55.803 -0.008 0.000 0.933 39 Q CB 0.934 29.646 28.738 -0.044 0.000 1.195 39 Q HN 0.781 nan 8.270 nan 0.000 0.426 40 L N 4.673 125.927 121.223 0.052 0.000 2.272 40 L HA 0.401 4.741 4.340 -0.000 0.000 0.289 40 L C -0.108 176.813 176.870 0.084 0.000 1.032 40 L CA -0.851 54.057 54.840 0.113 0.000 0.810 40 L CB 1.173 43.368 42.059 0.226 0.000 1.205 40 L HN 0.396 nan 8.230 nan 0.000 0.422 41 K N 3.909 124.349 120.400 0.068 0.000 2.219 41 K HA 0.161 4.480 4.320 -0.000 0.000 0.280 41 K C -0.738 175.937 176.600 0.124 0.000 1.104 41 K CA -0.348 55.974 56.287 0.058 0.000 0.925 41 K CB 0.342 32.914 32.500 0.120 0.000 1.261 41 K HN 0.327 nan 8.250 nan 0.000 0.445 42 Y N 2.736 122.958 120.300 -0.130 0.000 2.377 42 Y HA 0.184 4.734 4.550 -0.000 0.000 0.330 42 Y C -0.861 174.779 175.900 -0.433 0.000 1.108 42 Y CA -0.191 57.844 58.100 -0.108 0.000 1.308 42 Y CB 0.369 38.801 38.460 -0.047 0.000 1.216 42 Y HN 0.326 nan 8.280 nan 0.000 0.518 43 F N 4.698 124.278 119.950 -0.617 0.000 2.579 43 F HA 0.191 4.718 4.527 -0.000 0.000 0.325 43 F C -0.616 174.732 175.800 -0.753 0.000 1.162 43 F CA -1.260 56.444 58.000 -0.493 0.000 0.946 43 F CB 1.171 40.022 39.000 -0.248 0.000 1.211 43 F HN 0.392 nan 8.300 nan 0.000 0.447 44 D N 4.568 124.682 120.400 -0.477 0.000 2.374 44 D HA 0.202 4.842 4.640 -0.000 0.000 0.240 44 D C 0.409 176.612 176.300 -0.162 0.000 1.229 44 D CA 0.180 53.993 54.000 -0.310 0.000 0.895 44 D CB 0.734 41.522 40.800 -0.020 0.000 1.046 44 D HN 0.565 nan 8.370 nan 0.000 0.498 45 L N 3.005 124.114 121.223 -0.190 0.000 2.653 45 L HA 0.284 4.624 4.340 -0.000 0.000 0.232 45 L C 1.412 178.183 176.870 -0.165 0.000 1.169 45 L CA -0.495 54.241 54.840 -0.173 0.000 0.951 45 L CB -0.091 41.849 42.059 -0.197 0.000 1.181 45 L HN 0.325 nan 8.230 nan 0.000 0.460 46 G N -0.076 108.649 108.800 -0.125 0.000 2.491 46 G HA2 0.116 4.075 3.960 -0.000 0.000 0.238 46 G HA3 0.116 4.075 3.960 -0.000 0.000 0.238 46 G C 0.847 175.682 174.900 -0.108 0.000 1.277 46 G CA -0.472 44.570 45.100 -0.097 0.000 0.851 46 G HN 0.077 nan 8.290 nan 0.000 0.573 47 L N 3.157 124.286 121.223 -0.157 0.000 2.043 47 L HA -0.036 4.304 4.340 -0.000 0.000 0.212 47 L C 0.078 176.898 176.870 -0.083 0.000 1.075 47 L CA 2.126 56.830 54.840 -0.227 0.000 0.752 47 L CB -0.908 40.790 42.059 -0.601 0.000 0.891 47 L HN 0.409 nan 8.230 nan 0.000 0.432 48 P HA -0.138 nan 4.420 nan 0.000 0.215 48 P C 1.246 178.576 177.300 0.051 0.000 1.153 48 P CA 1.611 64.801 63.100 0.149 0.000 0.853 48 P CB -0.052 31.771 31.700 0.205 0.000 0.788 49 N N -0.958 117.745 118.700 0.005 0.000 2.270 49 N HA -0.075 4.665 4.740 -0.000 0.000 0.181 49 N C 1.728 177.168 175.510 -0.117 0.000 1.016 49 N CA 0.828 53.861 53.050 -0.029 0.000 0.870 49 N CB -0.208 38.269 38.487 -0.015 0.000 0.979 49 N HN -0.102 nan 8.380 nan 0.000 0.431 50 R N -0.247 120.140 120.500 -0.188 0.000 2.081 50 R HA -0.106 4.233 4.340 -0.000 0.000 0.235 50 R C 1.417 177.377 176.300 -0.568 0.000 1.131 50 R CA 1.589 57.465 56.100 -0.373 0.000 0.960 50 R CB -0.313 29.750 30.300 -0.395 0.000 0.856 50 R HN 0.358 nan 8.270 nan 0.000 0.436 51 D N 0.082 120.288 120.400 -0.322 0.000 2.117 51 D HA -0.199 4.441 4.640 -0.000 0.000 0.198 51 D C 1.969 178.248 176.300 -0.036 0.000 0.982 51 D CA 1.040 54.994 54.000 -0.077 0.000 0.828 51 D CB 0.106 41.055 40.800 0.248 0.000 0.967 51 D HN -0.007 nan 8.370 nan 0.000 0.464 52 Q N -0.224 119.555 119.800 -0.034 0.000 2.170 52 Q HA -0.084 4.255 4.340 -0.000 0.000 0.203 52 Q C 1.553 177.526 176.000 -0.046 0.000 0.976 52 Q CA 2.047 57.848 55.803 -0.004 0.000 0.858 52 Q CB -0.525 28.220 28.738 0.011 0.000 0.907 52 Q HN 0.370 nan 8.270 nan 0.000 0.433 53 T N -3.073 111.403 114.554 -0.131 0.000 3.186 53 T HA 0.220 4.570 4.350 -0.000 0.000 0.257 53 T C 0.055 174.623 174.700 -0.220 0.000 1.029 53 T CA 0.034 62.055 62.100 -0.132 0.000 0.916 53 T CB -0.133 68.665 68.868 -0.116 0.000 1.041 53 T HN 0.320 nan 8.240 nan 0.000 0.562 54 N N 2.209 120.709 118.700 -0.334 0.000 2.721 54 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 54 N C 0.188 175.226 175.510 -0.786 0.000 1.072 54 N CA 1.371 54.122 53.050 -0.498 0.000 0.710 54 N CB -1.544 36.920 38.487 -0.038 0.000 0.993 54 N HN 0.730 nan 8.380 nan 0.000 0.547 55 D N -1.674 118.167 120.400 -0.932 0.000 3.046 55 D HA -0.237 4.402 4.640 -0.000 0.000 0.210 55 D C 1.086 177.205 176.300 -0.303 0.000 1.124 55 D CA 1.860 55.470 54.000 -0.650 0.000 0.986 55 D CB -0.722 39.711 40.800 -0.613 0.000 1.118 55 D HN 0.558 nan 8.370 nan 0.000 0.416 56 Q N 0.132 119.796 119.800 -0.226 0.000 2.224 56 Q HA 0.023 4.362 4.340 -0.000 0.000 0.203 56 Q C 2.061 178.008 176.000 -0.088 0.000 0.970 56 Q CA 1.805 57.539 55.803 -0.115 0.000 0.865 56 Q CB -0.324 28.373 28.738 -0.069 0.000 0.922 56 Q HN 0.442 nan 8.270 nan 0.000 0.445 57 V N -0.187 119.671 119.914 -0.094 0.000 2.490 57 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 57 V C 1.655 177.701 176.094 -0.081 0.000 1.061 57 V CA 2.464 64.753 62.300 -0.019 0.000 1.064 57 V CB -0.579 31.234 31.823 -0.016 0.000 0.670 57 V HN 0.541 nan 8.190 nan 0.000 0.461 58 T N 0.604 115.074 114.554 -0.141 0.000 2.708 58 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 58 T C 1.740 176.336 174.700 -0.173 0.000 1.037 58 T CA 2.120 64.122 62.100 -0.163 0.000 1.146 58 T CB -0.277 68.500 68.868 -0.151 0.000 0.865 58 T HN 0.489 nan 8.240 nan 0.000 0.435 59 I N 1.341 121.831 120.570 -0.134 0.000 2.179 59 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 59 I C 2.331 178.353 176.117 -0.159 0.000 1.088 59 I CA 1.170 62.399 61.300 -0.117 0.000 1.357 59 I CB -0.401 37.557 38.000 -0.071 0.000 1.051 59 I HN 0.142 nan 8.210 nan 0.000 0.409 60 D N 0.649 120.961 120.400 -0.147 0.000 2.149 60 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 60 D C 2.379 178.349 176.300 -0.551 0.000 0.990 60 D CA 1.930 55.833 54.000 -0.162 0.000 0.839 60 D CB -0.237 40.606 40.800 0.072 0.000 0.948 60 D HN 0.393 nan 8.370 nan 0.000 0.460 61 S N 0.512 115.714 115.700 -0.831 0.000 2.402 61 S HA -0.016 4.454 4.470 -0.000 0.000 0.229 61 S C 2.140 176.380 174.600 -0.600 0.000 1.021 61 S CA 1.061 58.499 58.200 -1.270 0.000 0.974 61 S CB -0.136 62.561 63.200 -0.837 0.000 0.800 61 S HN 0.233 nan 8.310 nan 0.000 0.484 62 A N 2.013 124.617 122.820 -0.361 0.000 1.929 62 A HA 0.240 4.560 4.320 -0.000 0.000 0.216 62 A C 2.308 179.786 177.584 -0.176 0.000 1.176 62 A CA 1.157 53.064 52.037 -0.215 0.000 0.628 62 A CB -0.768 18.142 19.000 -0.150 0.000 0.816 62 A HN 0.538 nan 8.150 nan 0.000 0.444 63 L N -0.793 120.322 121.223 -0.180 0.000 2.093 63 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 63 L C 3.074 179.870 176.870 -0.123 0.000 1.085 63 L CA 0.993 55.759 54.840 -0.123 0.000 0.755 63 L CB -0.589 41.416 42.059 -0.091 0.000 0.904 63 L HN 0.439 nan 8.230 nan 0.000 0.435 64 A N -0.242 122.488 122.820 -0.150 0.000 1.902 64 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 64 A C 2.359 179.960 177.584 0.028 0.000 1.181 64 A CA 2.252 54.287 52.037 -0.003 0.000 0.623 64 A CB -0.860 18.195 19.000 0.091 0.000 0.818 64 A HN 0.372 nan 8.150 nan 0.000 0.443 65 T N -0.500 114.028 114.554 -0.044 0.000 2.788 65 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 65 T C 2.088 176.782 174.700 -0.011 0.000 1.044 65 T CA 1.776 63.877 62.100 0.001 0.000 1.139 65 T CB -0.216 68.619 68.868 -0.055 0.000 0.867 65 T HN 0.558 nan 8.240 nan 0.000 0.454 66 Q N 1.367 121.132 119.800 -0.058 0.000 2.119 66 Q HA -0.011 4.329 4.340 -0.000 0.000 0.201 66 Q C 2.139 178.083 176.000 -0.094 0.000 0.972 66 Q CA 1.599 57.367 55.803 -0.059 0.000 0.847 66 Q CB -0.187 28.512 28.738 -0.065 0.000 0.903 66 Q HN 0.500 nan 8.270 nan 0.000 0.433 67 K N -1.331 118.957 120.400 -0.187 0.000 2.031 67 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 67 K C 1.180 177.539 176.600 -0.402 0.000 1.049 67 K CA 1.324 57.389 56.287 -0.369 0.000 0.939 67 K CB -0.092 32.030 32.500 -0.630 0.000 0.717 67 K HN 0.260 nan 8.250 nan 0.000 0.438 68 Y N 0.296 120.620 120.300 0.040 0.000 2.500 68 Y HA 0.163 4.713 4.550 0.000 0.000 0.270 68 Y C 1.159 177.093 175.900 0.056 0.000 1.134 68 Y CA 0.317 58.448 58.100 0.051 0.000 1.293 68 Y CB 0.650 39.151 38.460 0.068 0.000 1.063 68 Y HN 0.089 nan 8.280 nan 0.000 0.534 69 S N -1.591 114.198 115.700 0.148 0.000 2.524 69 S HA -0.141 4.329 4.470 -0.000 0.000 0.254 69 S C -0.192 174.510 174.600 0.171 0.000 1.258 69 S CA 0.765 59.049 58.200 0.140 0.000 1.448 69 S CB -1.689 61.599 63.200 0.147 0.000 1.806 69 S HN 0.086 nan 8.310 nan 0.000 0.630 70 V N 0.720 120.737 119.914 0.170 0.000 2.733 70 V HA 0.871 4.991 4.120 -0.000 0.000 0.306 70 V C -0.262 175.884 176.094 0.087 0.000 1.084 70 V CA -0.123 62.261 62.300 0.140 0.000 0.905 70 V CB 1.874 33.804 31.823 0.178 0.000 1.010 70 V HN 0.674 nan 8.190 nan 0.000 0.424 71 A N 3.656 126.493 122.820 0.028 0.000 2.435 71 A HA 0.987 5.306 4.320 -0.000 0.000 0.304 71 A C -0.889 176.659 177.584 -0.061 0.000 1.064 71 A CA -0.664 51.367 52.037 -0.011 0.000 0.727 71 A CB 2.243 21.222 19.000 -0.035 0.000 1.284 71 A HN 1.652 nan 8.150 nan 0.000 0.415 72 V N -0.670 119.178 119.914 -0.110 0.000 2.487 72 V HA 0.803 4.922 4.120 -0.000 0.000 0.298 72 V C -0.569 175.482 176.094 -0.071 0.000 1.028 72 V CA -0.739 61.467 62.300 -0.157 0.000 0.860 72 V CB 1.265 32.766 31.823 -0.536 0.000 0.991 72 V HN 0.973 nan 8.190 nan 0.000 0.427 73 K N 3.719 124.059 120.400 -0.101 0.000 2.345 73 K HA 0.648 4.968 4.320 -0.000 0.000 0.255 73 K C -0.792 175.452 176.600 -0.593 0.000 0.934 73 K CA -0.461 55.634 56.287 -0.320 0.000 0.801 73 K CB 1.919 34.274 32.500 -0.242 0.000 1.137 73 K HN 1.029 nan 8.250 nan 0.000 0.424 74 C N 3.470 122.102 119.300 -1.114 0.000 2.459 74 C HA 0.649 5.109 4.460 -0.000 0.000 0.374 74 C C 0.640 175.309 174.990 -0.534 0.000 1.241 74 C CA -0.442 57.895 59.018 -1.134 0.000 2.352 74 C CB -0.210 26.582 27.740 -1.581 0.000 2.490 74 C HN 0.913 nan 8.230 nan 0.000 0.583 75 A N 4.375 126.981 122.820 -0.356 0.000 2.531 75 A HA 0.512 4.832 4.320 -0.000 0.000 0.236 75 A C 0.604 178.049 177.584 -0.232 0.000 1.062 75 A CA 0.765 52.645 52.037 -0.262 0.000 0.760 75 A CB -0.060 18.814 19.000 -0.209 0.000 0.995 75 A HN 1.215 nan 8.150 nan 0.000 0.501 76 T N -0.315 114.122 114.554 -0.195 0.000 2.907 76 T HA 0.700 5.049 4.350 -0.000 0.000 0.290 76 T C -0.245 174.371 174.700 -0.140 0.000 1.066 76 T CA -0.668 61.325 62.100 -0.179 0.000 1.012 76 T CB 0.929 69.687 68.868 -0.184 0.000 1.184 76 T HN 0.415 nan 8.240 nan 0.000 0.522 77 I N 1.410 121.889 120.570 -0.152 0.000 2.365 77 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 77 I C 0.135 176.181 176.117 -0.118 0.000 1.004 77 I CA -0.548 60.670 61.300 -0.137 0.000 1.311 77 I CB 1.572 39.451 38.000 -0.201 0.000 1.401 77 I HN 0.667 nan 8.210 nan 0.000 0.491 78 T N 7.518 122.025 114.554 -0.077 0.000 2.781 78 T HA 0.282 4.632 4.350 -0.000 0.000 0.305 78 T C -2.292 172.380 174.700 -0.047 0.000 1.001 78 T CA -1.178 60.893 62.100 -0.048 0.000 0.950 78 T CB 0.585 69.435 68.868 -0.029 0.000 0.955 78 T HN 0.295 nan 8.240 nan 0.000 0.471 79 P HA 0.063 nan 4.420 nan 0.000 0.260 79 P C -0.394 176.885 177.300 -0.036 0.000 1.172 79 P CA 0.038 63.111 63.100 -0.045 0.000 0.760 79 P CB 0.409 32.097 31.700 -0.020 0.000 0.773 80 D N 1.320 121.706 120.400 -0.024 0.000 2.525 80 D HA 0.160 4.800 4.640 -0.000 0.000 0.249 80 D C 0.786 177.079 176.300 -0.013 0.000 1.072 80 D CA -0.650 53.337 54.000 -0.022 0.000 1.067 80 D CB 0.466 41.259 40.800 -0.013 0.000 1.282 80 D HN 0.047 nan 8.370 nan 0.000 0.587 81 E N 0.238 120.429 120.200 -0.015 0.000 2.086 81 E HA -0.152 4.197 4.350 -0.000 0.000 0.200 81 E C 1.945 178.555 176.600 0.016 0.000 1.012 81 E CA 2.472 58.866 56.400 -0.009 0.000 0.812 81 E CB -0.766 28.926 29.700 -0.012 0.000 0.743 81 E HN 0.565 nan 8.360 nan 0.000 0.453 82 A N 1.004 123.840 122.820 0.028 0.000 1.933 82 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 82 A C 2.013 179.654 177.584 0.096 0.000 1.175 82 A CA 1.389 53.457 52.037 0.052 0.000 0.628 82 A CB -0.265 18.765 19.000 0.050 0.000 0.814 82 A HN -0.003 nan 8.150 nan 0.000 0.444 83 R N -0.413 120.148 120.500 0.102 0.000 2.115 83 R HA -0.045 4.295 4.340 -0.000 0.000 0.230 83 R C 2.077 178.497 176.300 0.200 0.000 1.111 83 R CA 1.260 57.469 56.100 0.183 0.000 0.976 83 R CB -1.297 29.040 30.300 0.062 0.000 0.870 83 R HN 0.436 nan 8.270 nan 0.000 0.445 84 V N 1.562 121.531 119.914 0.092 0.000 2.332 84 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 84 V C 2.177 178.332 176.094 0.102 0.000 1.055 84 V CA 1.841 64.182 62.300 0.069 0.000 1.038 84 V CB -0.369 31.451 31.823 -0.006 0.000 0.651 84 V HN 0.371 nan 8.190 nan 0.000 0.450 85 E N -0.356 119.895 120.200 0.086 0.000 2.046 85 E HA -0.232 4.117 4.350 -0.000 0.000 0.190 85 E C 2.289 178.943 176.600 0.089 0.000 0.982 85 E CA 1.168 57.610 56.400 0.070 0.000 0.800 85 E CB -0.149 29.578 29.700 0.046 0.000 0.756 85 E HN 0.675 nan 8.360 nan 0.000 0.449 86 E N 0.261 120.536 120.200 0.125 0.000 2.038 86 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 86 E C 1.368 177.971 176.600 0.004 0.000 1.000 86 E CA 1.158 57.602 56.400 0.073 0.000 0.803 86 E CB -0.029 29.752 29.700 0.135 0.000 0.750 86 E HN 0.174 nan 8.360 nan 0.000 0.448 87 F N 0.485 120.467 119.950 0.054 0.000 2.765 87 F HA 0.172 4.699 4.527 -0.000 0.000 0.302 87 F C 0.306 176.145 175.800 0.066 0.000 1.111 87 F CA 0.162 58.202 58.000 0.066 0.000 1.359 87 F CB 0.514 39.561 39.000 0.079 0.000 1.097 87 F HN -0.163 nan 8.300 nan 0.000 0.577 88 K N 1.060 121.576 120.400 0.194 0.000 3.150 88 K HA -0.192 4.127 4.320 -0.000 0.000 0.267 88 K C -0.414 176.275 176.600 0.149 0.000 1.028 88 K CA 0.318 56.682 56.287 0.128 0.000 0.753 88 K CB -2.271 30.285 32.500 0.093 0.000 1.288 88 K HN 0.350 nan 8.250 nan 0.000 0.473 89 L N 0.913 122.231 121.223 0.158 0.000 2.439 89 L HA 0.076 4.416 4.340 -0.000 0.000 0.269 89 L C 1.983 178.881 176.870 0.046 0.000 1.179 89 L CA 0.035 54.965 54.840 0.150 0.000 0.828 89 L CB 0.390 42.507 42.059 0.096 0.000 1.106 89 L HN 0.276 nan 8.230 nan 0.000 0.467 90 K N 1.555 122.001 120.400 0.076 0.000 2.365 90 K HA 0.078 4.398 4.320 -0.000 0.000 0.197 90 K C 0.427 176.889 176.600 -0.231 0.000 1.042 90 K CA 0.624 56.907 56.287 -0.007 0.000 0.987 90 K CB 0.448 33.017 32.500 0.115 0.000 0.779 90 K HN 0.505 nan 8.250 nan 0.000 0.484 91 K N 0.370 120.442 120.400 -0.547 0.000 2.575 91 K HA 0.198 4.518 4.320 -0.000 0.000 0.279 91 K C -1.609 174.408 176.600 -0.971 0.000 0.969 91 K CA -0.721 55.054 56.287 -0.853 0.000 0.868 91 K CB 1.935 33.639 32.500 -1.326 0.000 1.457 91 K HN 0.043 nan 8.250 nan 0.000 0.426 92 M N 3.999 123.237 119.600 -0.605 0.000 3.213 92 M HA 0.214 4.693 4.480 -0.000 0.000 0.275 92 M C -1.235 174.876 176.300 -0.315 0.000 1.424 92 M CA -0.533 54.543 55.300 -0.374 0.000 1.561 92 M CB -0.112 32.368 32.600 -0.200 0.000 1.109 92 M HN 0.388 nan 8.290 nan 0.000 0.552 93 W N 4.120 125.393 121.300 -0.045 0.000 2.391 93 W HA -0.050 4.610 4.660 -0.001 0.000 0.339 93 W C 0.596 177.082 176.519 -0.055 0.000 1.252 93 W CA -0.251 57.064 57.345 -0.050 0.000 1.304 93 W CB 0.127 29.549 29.460 -0.062 0.000 1.179 93 W HN 0.391 nan 8.180 nan 0.000 0.567 94 K N 2.044 122.566 120.400 0.203 0.000 2.180 94 K HA 0.117 4.437 4.320 -0.000 0.000 0.251 94 K C 0.594 177.238 176.600 0.072 0.000 1.014 94 K CA -0.626 55.716 56.287 0.092 0.000 0.913 94 K CB 0.664 33.207 32.500 0.072 0.000 1.008 94 K HN 0.439 nan 8.250 nan 0.000 0.490 95 S N 2.426 118.147 115.700 0.035 0.000 2.673 95 S HA -0.007 4.463 4.470 -0.000 0.000 0.308 95 S C -1.251 173.350 174.600 0.002 0.000 1.246 95 S CA -1.132 57.079 58.200 0.019 0.000 1.077 95 S CB 0.311 63.538 63.200 0.045 0.000 0.814 95 S HN 0.393 nan 8.310 nan 0.000 0.503 96 P HA -0.070 nan 4.420 nan 0.000 0.221 96 P C 0.849 178.103 177.300 -0.077 0.000 1.150 96 P CA 0.852 63.911 63.100 -0.067 0.000 0.800 96 P CB 0.036 31.673 31.700 -0.105 0.000 0.787 97 N N 0.500 119.156 118.700 -0.073 0.000 2.142 97 N HA -0.089 4.651 4.740 -0.000 0.000 0.186 97 N C 2.213 177.677 175.510 -0.076 0.000 1.023 97 N CA 1.669 54.664 53.050 -0.091 0.000 0.852 97 N CB -1.118 37.311 38.487 -0.097 0.000 0.998 97 N HN 0.201 nan 8.380 nan 0.000 0.424 98 G N 0.555 109.344 108.800 -0.018 0.000 2.418 98 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 98 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 98 G C 1.615 176.507 174.900 -0.013 0.000 1.158 98 G CA 1.346 46.455 45.100 0.015 0.000 0.771 98 G HN 0.257 nan 8.290 nan 0.000 0.545 99 T N 1.238 115.783 114.554 -0.015 0.000 2.708 99 T HA -0.031 4.318 4.350 -0.000 0.000 0.266 99 T C 2.396 177.070 174.700 -0.043 0.000 1.037 99 T CA 0.976 63.064 62.100 -0.021 0.000 1.146 99 T CB -0.141 68.710 68.868 -0.028 0.000 0.865 99 T HN 0.244 nan 8.240 nan 0.000 0.435 100 I N 0.585 121.113 120.570 -0.071 0.000 2.252 100 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 100 I C 2.766 178.840 176.117 -0.071 0.000 1.102 100 I CA 1.288 62.535 61.300 -0.087 0.000 1.385 100 I CB -0.292 37.640 38.000 -0.114 0.000 1.064 100 I HN 0.119 nan 8.210 nan 0.000 0.414 101 R N 0.451 120.904 120.500 -0.079 0.000 2.096 101 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 101 R C 2.120 178.403 176.300 -0.028 0.000 1.127 101 R CA 1.803 57.855 56.100 -0.080 0.000 0.968 101 R CB -0.519 29.698 30.300 -0.139 0.000 0.861 101 R HN 0.333 nan 8.270 nan 0.000 0.440 102 N N 0.873 119.568 118.700 -0.010 0.000 2.120 102 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 102 N C 1.545 177.104 175.510 0.081 0.000 1.024 102 N CA 1.249 54.339 53.050 0.067 0.000 0.852 102 N CB 0.013 38.528 38.487 0.047 0.000 1.003 102 N HN 0.144 nan 8.380 nan 0.000 0.424 103 I N -0.179 120.405 120.570 0.023 0.000 2.233 103 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 103 I C 1.869 177.985 176.117 -0.002 0.000 1.093 103 I CA 0.793 62.098 61.300 0.008 0.000 1.380 103 I CB -0.161 37.824 38.000 -0.025 0.000 1.067 103 I HN 0.175 nan 8.210 nan 0.000 0.413 104 L N 0.178 121.391 121.223 -0.017 0.000 2.095 104 L HA 0.140 4.480 4.340 -0.000 0.000 0.204 104 L C 1.291 178.158 176.870 -0.005 0.000 1.080 104 L CA 0.600 55.428 54.840 -0.020 0.000 0.759 104 L CB -1.092 40.945 42.059 -0.036 0.000 0.914 104 L HN 0.471 nan 8.230 nan 0.000 0.439 105 G N -0.747 108.057 108.800 0.005 0.000 2.855 105 G HA2 0.164 4.124 3.960 -0.000 0.000 0.352 105 G HA3 0.164 4.124 3.960 -0.000 0.000 0.352 105 G C 0.136 175.049 174.900 0.021 0.000 1.415 105 G CA -0.262 44.849 45.100 0.018 0.000 0.871 105 G HN 0.851 nan 8.290 nan 0.000 0.543 106 G N -2.284 106.552 108.800 0.059 0.000 2.337 106 G HA2 0.540 4.500 3.960 -0.000 0.000 0.197 106 G HA3 0.540 4.500 3.960 -0.000 0.000 0.197 106 G C -0.285 174.660 174.900 0.075 0.000 1.238 106 G CA 0.476 45.624 45.100 0.080 0.000 1.119 106 G HN 2.282 nan 8.290 nan 0.000 0.514 107 T N 0.091 114.650 114.554 0.008 0.000 2.881 107 T HA 0.578 4.928 4.350 -0.000 0.000 0.290 107 T C -0.365 174.155 174.700 -0.300 0.000 1.000 107 T CA -0.321 61.682 62.100 -0.162 0.000 0.978 107 T CB 2.085 70.817 68.868 -0.227 0.000 0.997 107 T HN 1.021 nan 8.240 nan 0.000 0.443 108 V N 4.154 123.861 119.914 -0.346 0.000 2.334 108 V HA 0.374 4.494 4.120 -0.000 0.000 0.267 108 V C -0.599 175.281 176.094 -0.357 0.000 1.040 108 V CA -0.626 61.515 62.300 -0.265 0.000 0.866 108 V CB -0.435 31.256 31.823 -0.221 0.000 1.019 108 V HN 0.743 nan 8.190 nan 0.000 0.468 109 F N 4.862 124.760 119.950 -0.086 0.000 2.420 109 F HA 0.563 5.089 4.527 -0.000 0.000 0.352 109 F C 0.912 176.652 175.800 -0.100 0.000 1.108 109 F CA -0.222 57.697 58.000 -0.136 0.000 1.162 109 F CB 0.810 39.705 39.000 -0.176 0.000 1.118 109 F HN 0.305 nan 8.300 nan 0.000 0.510 110 R N 3.276 123.803 120.500 0.045 0.000 2.513 110 R HA 0.509 4.849 4.340 -0.000 0.000 0.301 110 R C -1.120 175.194 176.300 0.024 0.000 0.968 110 R CA -0.925 55.184 56.100 0.016 0.000 0.872 110 R CB 2.338 32.612 30.300 -0.044 0.000 1.177 110 R HN 0.694 nan 8.270 nan 0.000 0.444 111 E N 2.979 123.191 120.200 0.021 0.000 2.383 111 E HA 0.449 4.799 4.350 -0.000 0.000 0.275 111 E C -2.820 173.733 176.600 -0.079 0.000 0.918 111 E CA -2.434 53.955 56.400 -0.019 0.000 0.764 111 E CB 2.540 32.261 29.700 0.035 0.000 1.252 111 E HN 0.209 nan 8.360 nan 0.000 0.449 112 P HA 0.197 nan 4.420 nan 0.000 0.274 112 P C -0.388 176.798 177.300 -0.191 0.000 1.231 112 P CA -0.249 62.720 63.100 -0.220 0.000 0.790 112 P CB 0.967 32.357 31.700 -0.515 0.000 0.951 113 I N 3.214 123.681 120.570 -0.173 0.000 2.307 113 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 113 I C 0.553 176.605 176.117 -0.109 0.000 1.054 113 I CA -0.797 60.381 61.300 -0.203 0.000 1.218 113 I CB 0.432 38.172 38.000 -0.433 0.000 1.398 113 I HN 0.082 nan 8.210 nan 0.000 0.475 114 I N 5.677 126.206 120.570 -0.067 0.000 2.396 114 I HA 0.108 4.278 4.170 -0.000 0.000 0.289 114 I C 0.001 176.135 176.117 0.028 0.000 1.056 114 I CA -0.005 61.288 61.300 -0.011 0.000 1.365 114 I CB 0.748 38.743 38.000 -0.008 0.000 1.407 114 I HN 0.542 nan 8.210 nan 0.000 0.509 115 C N 6.780 126.107 119.300 0.045 0.000 2.340 115 C HA 0.262 4.722 4.460 -0.000 0.000 0.323 115 C C 1.703 176.729 174.990 0.060 0.000 1.260 115 C CA -0.984 58.066 59.018 0.055 0.000 1.464 115 C CB 1.217 28.989 27.740 0.053 0.000 2.156 115 C HN 0.790 nan 8.230 nan 0.000 0.476 116 K N 2.028 122.464 120.400 0.059 0.000 2.218 116 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 116 K C 1.527 178.156 176.600 0.047 0.000 1.046 116 K CA 1.668 57.990 56.287 0.057 0.000 0.933 116 K CB 0.039 32.571 32.500 0.053 0.000 0.728 116 K HN 0.778 nan 8.250 nan 0.000 0.454 117 N N 0.468 119.193 118.700 0.042 0.000 2.336 117 N HA -0.042 4.698 4.740 -0.000 0.000 0.189 117 N C 0.100 175.613 175.510 0.005 0.000 1.113 117 N CA 0.252 53.318 53.050 0.025 0.000 0.858 117 N CB 0.254 38.761 38.487 0.032 0.000 0.970 117 N HN -0.010 nan 8.380 nan 0.000 0.471 118 I N 2.580 123.161 120.570 0.019 0.000 2.325 118 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 118 I C -2.167 173.959 176.117 0.015 0.000 1.019 118 I CA -2.389 58.915 61.300 0.007 0.000 1.302 118 I CB 0.647 38.662 38.000 0.024 0.000 1.401 118 I HN -0.190 nan 8.210 nan 0.000 0.485 119 P HA 0.273 nan 4.420 nan 0.000 0.271 119 P C -0.281 177.013 177.300 -0.009 0.000 1.216 119 P CA -0.334 62.756 63.100 -0.017 0.000 0.776 119 P CB 0.623 32.295 31.700 -0.046 0.000 0.881 120 R N 1.810 122.301 120.500 -0.015 0.000 2.500 120 R HA 0.317 4.656 4.340 -0.000 0.000 0.275 120 R C 1.132 177.355 176.300 -0.128 0.000 1.051 120 R CA -0.658 55.413 56.100 -0.049 0.000 1.088 120 R CB 0.592 30.855 30.300 -0.062 0.000 1.063 120 R HN 0.496 nan 8.270 nan 0.000 0.511 121 L N 1.304 122.417 121.223 -0.183 0.000 2.446 121 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 121 L C 0.179 176.850 176.870 -0.331 0.000 1.116 121 L CA 0.508 55.222 54.840 -0.209 0.000 0.844 121 L CB 0.506 42.459 42.059 -0.177 0.000 0.970 121 L HN 0.280 nan 8.230 nan 0.000 0.457 122 V N 0.556 120.164 119.914 -0.511 0.000 2.276 122 V HA 0.192 4.312 4.120 -0.000 0.000 0.268 122 V C -1.585 174.175 176.094 -0.557 0.000 1.032 122 V CA -0.914 60.940 62.300 -0.742 0.000 0.810 122 V CB 1.168 32.027 31.823 -1.608 0.000 1.060 122 V HN -0.029 nan 8.190 nan 0.000 0.446 123 P HA -0.168 nan 4.420 nan 0.000 0.217 123 P C 1.761 178.987 177.300 -0.124 0.000 1.151 123 P CA 1.677 64.675 63.100 -0.171 0.000 0.849 123 P CB 0.270 31.895 31.700 -0.126 0.000 0.787 124 G N -1.785 106.908 108.800 -0.179 0.000 2.470 124 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 124 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 124 G C 0.034 175.016 174.900 0.135 0.000 1.121 124 G CA 0.020 45.094 45.100 -0.044 0.000 0.766 124 G HN 0.223 nan 8.290 nan 0.000 0.553 125 W N 2.841 124.081 121.300 -0.099 0.000 1.828 125 W HA 0.338 4.998 4.660 -0.000 0.000 0.470 125 W C 1.469 178.022 176.519 0.057 0.000 0.786 125 W CA -0.266 57.030 57.345 -0.081 0.000 1.816 125 W CB -1.173 28.056 29.460 -0.384 0.000 1.798 125 W HN 0.149 nan 8.180 nan 0.000 0.252 126 T N -1.464 113.243 114.554 0.255 0.000 3.055 126 T HA 0.023 4.373 4.350 -0.000 0.000 0.265 126 T C 0.657 175.475 174.700 0.197 0.000 1.111 126 T CA 0.714 62.931 62.100 0.195 0.000 1.118 126 T CB 0.496 69.441 68.868 0.129 0.000 0.909 126 T HN 0.085 nan 8.240 nan 0.000 0.501 127 K N 1.486 121.999 120.400 0.188 0.000 2.328 127 K HA 0.541 4.861 4.320 -0.000 0.000 0.246 127 K C -3.054 173.606 176.600 0.100 0.000 0.955 127 K CA -2.698 53.657 56.287 0.112 0.000 0.817 127 K CB 1.965 34.465 32.500 0.001 0.000 1.208 127 K HN -0.052 nan 8.250 nan 0.000 0.432 128 P HA 0.196 nan 4.420 nan 0.000 0.272 128 P C -0.781 176.327 177.300 -0.320 0.000 1.240 128 P CA -0.116 62.855 63.100 -0.215 0.000 0.791 128 P CB 0.562 32.218 31.700 -0.073 0.000 0.978 129 I N 0.132 120.486 120.570 -0.361 0.000 2.582 129 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 129 I C -0.290 175.763 176.117 -0.106 0.000 1.066 129 I CA -0.399 60.632 61.300 -0.449 0.000 1.053 129 I CB 2.385 40.033 38.000 -0.588 0.000 1.241 129 I HN 0.121 nan 8.210 nan 0.000 0.421 130 T N 6.236 120.842 114.554 0.087 0.000 2.807 130 T HA 0.594 4.944 4.350 -0.000 0.000 0.279 130 T C -0.314 174.477 174.700 0.151 0.000 0.993 130 T CA -0.337 61.861 62.100 0.164 0.000 0.970 130 T CB 1.315 70.351 68.868 0.280 0.000 0.950 130 T HN 0.255 nan 8.240 nan 0.000 0.441 131 I N 2.259 122.866 120.570 0.061 0.000 2.377 131 I HA 0.496 4.666 4.170 -0.000 0.000 0.293 131 I C 0.716 176.779 176.117 -0.090 0.000 0.987 131 I CA -0.653 60.634 61.300 -0.021 0.000 1.185 131 I CB 1.526 39.409 38.000 -0.195 0.000 1.341 131 I HN 0.732 nan 8.210 nan 0.000 0.455 132 G N 6.155 114.893 108.800 -0.103 0.000 2.547 132 G HA2 0.352 4.312 3.960 -0.000 0.000 0.327 132 G HA3 0.352 4.312 3.960 -0.000 0.000 0.327 132 G C -0.397 174.408 174.900 -0.158 0.000 1.118 132 G CA -0.543 44.351 45.100 -0.344 0.000 1.022 132 G HN 0.618 nan 8.290 nan 0.000 0.464 133 R N 2.482 122.796 120.500 -0.310 0.000 2.202 133 R HA 0.181 4.521 4.340 -0.000 0.000 0.334 133 R C -0.219 175.857 176.300 -0.374 0.000 1.036 133 R CA -0.675 55.244 56.100 -0.301 0.000 0.878 133 R CB 0.229 30.339 30.300 -0.316 0.000 1.067 133 R HN 0.714 nan 8.270 nan 0.000 0.457 134 H N 3.236 121.833 119.070 -0.790 0.000 3.107 134 H HA -0.007 4.548 4.556 -0.001 0.000 0.301 134 H C 0.328 175.365 175.328 -0.484 0.000 0.981 134 H CA 0.399 55.849 56.048 -0.998 0.000 1.443 134 H CB 1.087 30.087 29.762 -1.270 0.000 1.479 134 H HN 0.818 nan 8.280 nan 0.000 0.564 135 A N 5.674 128.317 122.820 -0.296 0.000 2.275 135 A HA -0.001 4.319 4.320 -0.000 0.000 0.212 135 A C 0.414 177.802 177.584 -0.327 0.000 1.201 135 A CA 0.051 51.898 52.037 -0.316 0.000 0.843 135 A CB -0.023 18.858 19.000 -0.197 0.000 0.873 135 A HN 0.824 nan 8.150 nan 0.000 0.492 136 H N -0.708 117.974 119.070 -0.647 0.000 2.622 136 H HA 0.485 5.041 4.556 -0.001 0.000 0.363 136 H C 0.738 175.769 175.328 -0.494 0.000 1.151 136 H CA 0.498 56.254 56.048 -0.487 0.000 1.184 136 H CB 1.406 30.991 29.762 -0.295 0.000 1.643 136 H HN 0.614 nan 8.280 nan 0.000 0.531 137 G N 3.856 111.987 108.800 -1.115 0.000 2.569 137 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.259 137 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.259 137 G C -0.392 174.279 174.900 -0.383 0.000 1.263 137 G CA 0.700 45.272 45.100 -0.880 0.000 0.928 137 G HN 0.944 nan 8.290 nan 0.000 0.572 138 D N -2.383 117.859 120.400 -0.263 0.000 3.393 138 D HA -0.198 4.442 4.640 -0.000 0.000 0.178 138 D C 1.759 177.989 176.300 -0.116 0.000 1.201 138 D CA 2.047 56.010 54.000 -0.061 0.000 1.086 138 D CB -1.170 39.654 40.800 0.041 0.000 0.568 138 D HN 0.843 nan 8.370 nan 0.000 0.637 139 Q N -1.239 118.518 119.800 -0.072 0.000 2.297 139 Q HA -0.086 4.254 4.340 -0.000 0.000 0.208 139 Q C 1.668 177.528 176.000 -0.233 0.000 0.981 139 Q CA 1.309 57.013 55.803 -0.165 0.000 0.876 139 Q CB -0.215 28.388 28.738 -0.226 0.000 0.921 139 Q HN 0.508 nan 8.270 nan 0.000 0.446 140 Y N -0.599 119.608 120.300 -0.155 0.000 2.529 140 Y HA 0.096 4.645 4.550 -0.001 0.000 0.290 140 Y C 1.001 176.806 175.900 -0.158 0.000 1.177 140 Y CA 0.501 58.513 58.100 -0.146 0.000 1.305 140 Y CB 0.719 39.082 38.460 -0.161 0.000 1.047 140 Y HN -0.185 nan 8.280 nan 0.000 0.522 141 K N -0.047 120.293 120.400 -0.101 0.000 2.895 141 K HA 0.431 4.751 4.320 -0.000 0.000 0.200 141 K C -0.333 176.250 176.600 -0.030 0.000 1.133 141 K CA -0.013 56.222 56.287 -0.087 0.000 1.060 141 K CB 0.287 32.653 32.500 -0.223 0.000 0.735 141 K HN 0.053 nan 8.250 nan 0.000 0.451 142 A N 0.132 122.926 122.820 -0.044 0.000 2.257 142 A HA 0.601 4.920 4.320 -0.000 0.000 0.289 142 A C -0.146 177.475 177.584 0.062 0.000 1.095 142 A CA 0.062 52.106 52.037 0.012 0.000 0.836 142 A CB 0.513 19.480 19.000 -0.055 0.000 1.111 142 A HN 0.088 nan 8.150 nan 0.000 0.497 143 T N 2.045 116.665 114.554 0.110 0.000 2.809 143 T HA 0.485 4.835 4.350 -0.000 0.000 0.296 143 T C -1.181 173.613 174.700 0.157 0.000 1.015 143 T CA -0.519 61.664 62.100 0.139 0.000 0.954 143 T CB 0.357 69.333 68.868 0.180 0.000 0.950 143 T HN 0.754 nan 8.240 nan 0.000 0.450 144 D N 2.507 122.968 120.400 0.102 0.000 2.433 144 D HA 0.694 5.333 4.640 -0.000 0.000 0.236 144 D C -0.590 175.760 176.300 0.084 0.000 1.026 144 D CA -0.747 53.247 54.000 -0.010 0.000 0.884 144 D CB 1.766 42.496 40.800 -0.118 0.000 1.384 144 D HN 0.435 nan 8.370 nan 0.000 0.477 145 F N -1.947 117.931 119.950 -0.118 0.000 2.686 145 F HA 0.621 5.148 4.527 -0.000 0.000 0.311 145 F C -1.612 174.095 175.800 -0.155 0.000 1.128 145 F CA -1.341 56.577 58.000 -0.136 0.000 0.946 145 F CB 1.032 39.934 39.000 -0.163 0.000 1.336 145 F HN 0.137 nan 8.300 nan 0.000 0.457 146 V N 2.208 122.131 119.914 0.016 0.000 2.472 146 V HA 0.605 4.725 4.120 -0.000 0.000 0.290 146 V C -0.479 175.593 176.094 -0.038 0.000 1.037 146 V CA -0.865 61.388 62.300 -0.079 0.000 0.908 146 V CB 1.557 33.344 31.823 -0.059 0.000 0.985 146 V HN 0.712 nan 8.190 nan 0.000 0.454 147 V N 4.150 123.956 119.914 -0.180 0.000 2.398 147 V HA 0.329 4.449 4.120 -0.000 0.000 0.286 147 V C 0.311 176.295 176.094 -0.184 0.000 1.026 147 V CA -0.350 61.792 62.300 -0.263 0.000 0.868 147 V CB 1.655 33.028 31.823 -0.751 0.000 0.982 147 V HN 1.117 nan 8.190 nan 0.000 0.443 148 D N 3.425 123.754 120.400 -0.119 0.000 2.395 148 D HA 0.159 4.799 4.640 -0.000 0.000 0.213 148 D C 0.414 176.684 176.300 -0.051 0.000 1.110 148 D CA -0.285 53.672 54.000 -0.071 0.000 0.835 148 D CB 0.380 41.150 40.800 -0.050 0.000 0.965 148 D HN 0.643 nan 8.370 nan 0.000 0.505 149 R N -1.706 118.756 120.500 -0.063 0.000 2.728 149 R HA 0.678 5.017 4.340 -0.000 0.000 0.274 149 R C -1.273 175.026 176.300 -0.001 0.000 1.032 149 R CA -1.067 55.020 56.100 -0.021 0.000 0.866 149 R CB 0.422 30.711 30.300 -0.017 0.000 1.263 149 R HN -0.095 nan 8.270 nan 0.000 0.475 150 A N 0.433 123.277 122.820 0.040 0.000 2.561 150 A HA 0.527 4.847 4.320 -0.000 0.000 0.234 150 A C 0.545 178.175 177.584 0.075 0.000 1.055 150 A CA 1.146 53.231 52.037 0.080 0.000 0.756 150 A CB -0.276 18.757 19.000 0.056 0.000 0.986 150 A HN 1.211 nan 8.150 nan 0.000 0.505 151 G N -0.117 108.765 108.800 0.137 0.000 2.338 151 G HA2 0.562 4.522 3.960 -0.000 0.000 0.295 151 G HA3 0.562 4.522 3.960 -0.000 0.000 0.295 151 G C -0.605 174.435 174.900 0.233 0.000 1.461 151 G CA -0.016 45.164 45.100 0.134 0.000 0.817 151 G HN 1.520 nan 8.290 nan 0.000 0.556 152 T N -1.443 113.229 114.554 0.198 0.000 2.837 152 T HA 0.628 4.977 4.350 -0.000 0.000 0.285 152 T C -0.835 174.102 174.700 0.395 0.000 0.984 152 T CA -0.650 61.596 62.100 0.243 0.000 1.049 152 T CB 1.710 70.664 68.868 0.144 0.000 0.947 152 T HN 1.095 nan 8.240 nan 0.000 0.472 153 F N 4.569 124.697 119.950 0.296 0.000 2.375 153 F HA 0.595 5.122 4.527 -0.000 0.000 0.361 153 F C -0.251 175.703 175.800 0.256 0.000 1.117 153 F CA -2.042 56.176 58.000 0.363 0.000 1.037 153 F CB 0.764 40.133 39.000 0.614 0.000 1.192 153 F HN 0.912 nan 8.300 nan 0.000 0.452 154 K N 6.171 126.887 120.400 0.527 0.000 2.395 154 K HA 0.799 5.119 4.320 -0.000 0.000 0.247 154 K C -1.815 174.979 176.600 0.323 0.000 0.973 154 K CA -0.900 55.550 56.287 0.271 0.000 0.828 154 K CB 2.607 35.232 32.500 0.208 0.000 1.272 154 K HN 0.563 nan 8.250 nan 0.000 0.439 155 I N 1.781 122.528 120.570 0.295 0.000 2.474 155 I HA 0.368 4.537 4.170 -0.000 0.000 0.294 155 I C -1.089 175.293 176.117 0.443 0.000 1.005 155 I CA -1.359 60.163 61.300 0.370 0.000 1.113 155 I CB 2.291 40.490 38.000 0.332 0.000 1.289 155 I HN 0.351 nan 8.210 nan 0.000 0.436 156 V N 5.902 126.038 119.914 0.370 0.000 2.531 156 V HA 0.381 4.500 4.120 -0.000 0.000 0.301 156 V C -1.032 175.290 176.094 0.380 0.000 1.034 156 V CA -0.678 61.803 62.300 0.303 0.000 0.865 156 V CB 2.005 33.920 31.823 0.153 0.000 0.995 156 V HN 0.454 nan 8.190 nan 0.000 0.424 157 F N 3.480 123.585 119.950 0.258 0.000 2.427 157 F HA 0.676 5.203 4.527 -0.001 0.000 0.348 157 F C 0.168 176.035 175.800 0.111 0.000 1.125 157 F CA -0.223 57.916 58.000 0.232 0.000 0.989 157 F CB 1.753 40.980 39.000 0.378 0.000 1.165 157 F HN 0.452 nan 8.300 nan 0.000 0.442 158 T N 7.679 121.855 114.554 -0.630 0.000 2.821 158 T HA 0.366 4.716 4.350 -0.000 0.000 0.307 158 T C -2.545 171.732 174.700 -0.706 0.000 1.034 158 T CA -1.221 60.577 62.100 -0.504 0.000 0.953 158 T CB 0.894 69.619 68.868 -0.237 0.000 0.968 158 T HN 0.324 nan 8.240 nan 0.000 0.462 159 P HA 0.187 nan 4.420 nan 0.000 0.268 159 P C 0.979 178.166 177.300 -0.189 0.000 1.205 159 P CA -0.495 62.391 63.100 -0.356 0.000 0.771 159 P CB 0.809 32.445 31.700 -0.107 0.000 0.858 160 K N 1.955 122.288 120.400 -0.111 0.000 2.155 160 K HA -0.097 4.223 4.320 -0.000 0.000 0.203 160 K C 1.034 177.611 176.600 -0.038 0.000 1.052 160 K CA 1.395 57.644 56.287 -0.064 0.000 0.948 160 K CB -0.571 31.911 32.500 -0.030 0.000 0.728 160 K HN 0.614 nan 8.250 nan 0.000 0.448 161 D N -0.401 119.987 120.400 -0.020 0.000 2.371 161 D HA -0.020 4.620 4.640 -0.000 0.000 0.234 161 D C 1.086 177.378 176.300 -0.014 0.000 1.049 161 D CA 0.894 54.890 54.000 -0.008 0.000 0.907 161 D CB -0.193 40.613 40.800 0.010 0.000 0.891 161 D HN 0.275 nan 8.370 nan 0.000 0.531 162 G N -0.059 108.723 108.800 -0.030 0.000 2.176 162 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.253 162 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.253 162 G C 0.491 175.377 174.900 -0.023 0.000 0.979 162 G CA 0.505 45.587 45.100 -0.029 0.000 0.641 162 G HN 0.838 nan 8.290 nan 0.000 0.530 163 S N 0.180 115.872 115.700 -0.014 0.000 2.596 163 S HA 0.574 5.044 4.470 -0.000 0.000 0.260 163 S C 0.762 175.355 174.600 -0.012 0.000 1.336 163 S CA 0.469 58.669 58.200 -0.001 0.000 0.993 163 S CB 1.140 64.355 63.200 0.025 0.000 0.923 163 S HN 1.076 nan 8.310 nan 0.000 0.567 164 S N 1.652 117.350 115.700 -0.004 0.000 2.575 164 S HA 0.361 4.831 4.470 -0.000 0.000 0.295 164 S C 0.687 175.276 174.600 -0.018 0.000 1.267 164 S CA -0.088 58.102 58.200 -0.016 0.000 1.074 164 S CB -0.440 62.752 63.200 -0.013 0.000 0.829 164 S HN 1.035 nan 8.310 nan 0.000 0.497 165 A N 4.421 127.213 122.820 -0.047 0.000 2.366 165 A HA 0.451 4.771 4.320 -0.000 0.000 0.249 165 A C 0.382 177.927 177.584 -0.065 0.000 1.084 165 A CA -0.292 51.709 52.037 -0.060 0.000 0.794 165 A CB 0.414 19.368 19.000 -0.076 0.000 1.034 165 A HN 0.742 nan 8.150 nan 0.000 0.491 166 K N 0.346 120.708 120.400 -0.063 0.000 2.318 166 K HA 0.493 4.813 4.320 -0.000 0.000 0.249 166 K C -0.962 175.376 176.600 -0.436 0.000 0.942 166 K CA -0.463 55.630 56.287 -0.323 0.000 0.808 166 K CB 2.213 34.446 32.500 -0.446 0.000 1.189 166 K HN 0.811 nan 8.250 nan 0.000 0.428 167 Q N 2.297 121.724 119.800 -0.622 0.000 2.359 167 Q HA 0.386 4.726 4.340 -0.000 0.000 0.274 167 Q C -1.693 174.041 176.000 -0.443 0.000 1.074 167 Q CA -0.731 54.871 55.803 -0.336 0.000 0.810 167 Q CB 1.872 30.536 28.738 -0.124 0.000 1.342 167 Q HN 0.547 nan 8.270 nan 0.000 0.427 168 W N 2.481 123.807 121.300 0.043 0.000 2.883 168 W HA 0.322 4.982 4.660 0.001 0.000 0.335 168 W C -0.654 175.858 176.519 -0.012 0.000 1.083 168 W CA -0.551 56.801 57.345 0.011 0.000 1.233 168 W CB 1.959 31.418 29.460 -0.002 0.000 1.412 168 W HN 0.694 nan 8.180 nan 0.000 0.490 169 E N 1.619 121.930 120.200 0.185 0.000 2.046 169 E HA 0.269 4.619 4.350 -0.000 0.000 0.279 169 E C 0.390 177.007 176.600 0.028 0.000 0.989 169 E CA -0.116 56.342 56.400 0.095 0.000 0.798 169 E CB 1.379 31.120 29.700 0.069 0.000 1.086 169 E HN 0.250 nan 8.360 nan 0.000 0.399 170 V N 5.226 125.061 119.914 -0.132 0.000 2.379 170 V HA -0.086 4.033 4.120 -0.000 0.000 0.245 170 V C 0.101 176.141 176.094 -0.090 0.000 1.044 170 V CA 1.175 63.290 62.300 -0.309 0.000 1.036 170 V CB -0.500 30.700 31.823 -1.040 0.000 0.664 170 V HN 0.682 nan 8.190 nan 0.000 0.453 171 Y N -0.566 119.619 120.300 -0.192 0.000 2.583 171 Y HA 0.415 4.964 4.550 -0.001 0.000 0.330 171 Y C -1.241 174.624 175.900 -0.060 0.000 1.185 171 Y CA -1.854 56.140 58.100 -0.176 0.000 1.107 171 Y CB 1.099 39.334 38.460 -0.374 0.000 1.344 171 Y HN 0.074 nan 8.280 nan 0.000 0.463 172 N N 4.118 122.396 118.700 -0.704 0.000 2.609 172 N HA 0.338 5.078 4.740 -0.000 0.000 0.234 172 N C -1.675 173.341 175.510 -0.824 0.000 1.001 172 N CA -0.260 52.515 53.050 -0.459 0.000 0.926 172 N CB 0.021 38.347 38.487 -0.268 0.000 1.130 172 N HN 0.412 nan 8.380 nan 0.000 0.510 173 F N 3.837 123.550 119.950 -0.395 0.000 2.578 173 F HA 0.219 4.745 4.527 -0.001 0.000 0.381 173 F C -1.090 174.638 175.800 -0.121 0.000 1.069 173 F CA -1.370 56.520 58.000 -0.183 0.000 1.231 173 F CB 0.940 39.996 39.000 0.094 0.000 1.086 173 F HN 0.524 nan 8.300 nan 0.000 0.564 174 P HA 0.106 nan 4.420 nan 0.000 0.230 174 P C -0.025 177.339 177.300 0.107 0.000 1.168 174 P CA 0.934 64.072 63.100 0.063 0.000 0.793 174 P CB 0.522 32.256 31.700 0.056 0.000 0.851 175 A N -1.457 121.469 122.820 0.177 0.000 3.201 175 A HA 0.632 4.952 4.320 -0.000 0.000 0.303 175 A C -0.164 177.513 177.584 0.155 0.000 1.173 175 A CA -0.141 51.975 52.037 0.131 0.000 0.621 175 A CB -0.267 18.792 19.000 0.097 0.000 1.468 175 A HN 0.014 nan 8.150 nan 0.000 0.632 176 G N -1.314 107.535 108.800 0.082 0.000 2.614 176 G HA2 0.575 4.534 3.960 -0.000 0.000 0.239 176 G HA3 0.575 4.534 3.960 -0.000 0.000 0.239 176 G C 0.360 175.315 174.900 0.091 0.000 1.240 176 G CA 0.868 45.984 45.100 0.026 0.000 0.842 176 G HN 2.028 nan 8.290 nan 0.000 0.584 177 G N -1.596 107.192 108.800 -0.020 0.000 2.364 177 G HA2 0.648 4.608 3.960 -0.000 0.000 0.286 177 G HA3 0.648 4.608 3.960 -0.000 0.000 0.286 177 G C -1.065 173.791 174.900 -0.073 0.000 1.241 177 G CA 0.293 45.447 45.100 0.090 0.000 0.887 177 G HN 1.815 nan 8.290 nan 0.000 0.484 178 V N -2.552 117.375 119.914 0.021 0.000 2.962 178 V HA 1.045 5.165 4.120 -0.000 0.000 0.313 178 V C 0.146 176.120 176.094 -0.200 0.000 1.099 178 V CA -0.057 62.127 62.300 -0.193 0.000 0.971 178 V CB 1.435 33.156 31.823 -0.170 0.000 1.028 178 V HN 2.133 nan 8.190 nan 0.000 0.430 179 G N 2.785 111.113 108.800 -0.786 0.000 2.690 179 G HA2 0.843 4.803 3.960 -0.000 0.000 0.293 179 G HA3 0.843 4.803 3.960 -0.000 0.000 0.293 179 G C -1.144 173.138 174.900 -1.030 0.000 1.399 179 G CA -0.535 44.050 45.100 -0.859 0.000 0.890 179 G HN 1.653 nan 8.290 nan 0.000 0.485 180 M N 0.027 119.458 119.600 -0.281 0.000 2.603 180 M HA 0.792 5.272 4.480 -0.000 0.000 0.275 180 M C -0.815 175.614 176.300 0.216 0.000 1.226 180 M CA -0.883 54.380 55.300 -0.061 0.000 0.870 180 M CB 2.086 34.616 32.600 -0.116 0.000 1.716 180 M HN 1.078 nan 8.290 nan 0.000 0.482 181 G N 2.354 111.285 108.800 0.218 0.000 2.591 181 G HA2 0.822 4.781 3.960 -0.000 0.000 0.306 181 G HA3 0.822 4.781 3.960 -0.000 0.000 0.306 181 G C -1.196 173.807 174.900 0.172 0.000 1.334 181 G CA -0.973 44.266 45.100 0.232 0.000 0.981 181 G HN 1.098 nan 8.290 nan 0.000 0.491 182 M N 0.652 120.347 119.600 0.158 0.000 2.664 182 M HA 0.887 5.367 4.480 -0.000 0.000 0.279 182 M C -1.457 175.046 176.300 0.338 0.000 1.275 182 M CA -1.173 54.218 55.300 0.152 0.000 0.829 182 M CB 2.540 35.125 32.600 -0.025 0.000 1.727 182 M HN 0.822 nan 8.290 nan 0.000 0.459 183 Y N -2.190 118.257 120.300 0.245 0.000 2.725 183 Y HA 0.815 5.365 4.550 0.001 0.000 0.333 183 Y C -1.966 174.073 175.900 0.232 0.000 1.242 183 Y CA -0.934 57.330 58.100 0.273 0.000 1.059 183 Y CB 1.405 39.960 38.460 0.158 0.000 1.306 183 Y HN 0.914 nan 8.280 nan 0.000 0.454 184 N N -0.723 118.148 118.700 0.285 0.000 2.927 184 N HA 0.538 5.277 4.740 -0.000 0.000 0.248 184 N C -1.831 173.830 175.510 0.251 0.000 1.443 184 N CA -0.036 53.170 53.050 0.260 0.000 0.870 184 N CB 2.670 41.280 38.487 0.205 0.000 1.444 184 N HN 1.004 nan 8.380 nan 0.000 0.519 185 T N -1.767 112.923 114.554 0.226 0.000 2.912 185 T HA 0.405 4.755 4.350 -0.000 0.000 0.288 185 T C 0.297 174.991 174.700 -0.011 0.000 1.030 185 T CA -0.508 61.651 62.100 0.097 0.000 1.020 185 T CB 1.469 70.398 68.868 0.103 0.000 1.056 185 T HN 0.224 nan 8.240 nan 0.000 0.480 186 D N 0.550 120.929 120.400 -0.034 0.000 2.149 186 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 186 D C 1.722 178.001 176.300 -0.034 0.000 0.990 186 D CA 1.385 55.351 54.000 -0.057 0.000 0.839 186 D CB -0.060 40.721 40.800 -0.032 0.000 0.948 186 D HN 0.879 nan 8.370 nan 0.000 0.460 187 E N 0.248 120.440 120.200 -0.013 0.000 2.051 187 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 187 E C 1.989 178.586 176.600 -0.005 0.000 0.991 187 E CA 1.242 57.638 56.400 -0.006 0.000 0.799 187 E CB -0.021 29.672 29.700 -0.011 0.000 0.748 187 E HN 0.048 nan 8.360 nan 0.000 0.449 188 S N -0.085 115.602 115.700 -0.022 0.000 2.368 188 S HA -0.116 4.353 4.470 -0.000 0.000 0.225 188 S C 2.000 176.656 174.600 0.092 0.000 1.030 188 S CA 1.107 59.327 58.200 0.033 0.000 0.999 188 S CB -0.284 62.878 63.200 -0.062 0.000 0.844 188 S HN 0.324 nan 8.310 nan 0.000 0.459 189 I N 1.081 121.643 120.570 -0.013 0.000 2.226 189 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 189 I C 2.545 178.625 176.117 -0.061 0.000 1.100 189 I CA 1.146 62.365 61.300 -0.134 0.000 1.374 189 I CB -0.438 37.345 38.000 -0.362 0.000 1.057 189 I HN 0.280 nan 8.210 nan 0.000 0.413 190 S N 0.786 116.458 115.700 -0.046 0.000 2.356 190 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 190 S C 2.156 176.799 174.600 0.072 0.000 1.032 190 S CA 1.411 59.596 58.200 -0.025 0.000 1.005 190 S CB -0.783 62.449 63.200 0.053 0.000 0.867 190 S HN 0.640 nan 8.310 nan 0.000 0.449 191 G N 1.087 109.952 108.800 0.109 0.000 2.418 191 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 191 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 191 G C 1.239 176.234 174.900 0.157 0.000 1.158 191 G CA 0.797 45.986 45.100 0.148 0.000 0.771 191 G HN 0.488 nan 8.290 nan 0.000 0.545 192 F N 2.728 122.631 119.950 -0.080 0.000 2.102 192 F HA 0.046 4.572 4.527 -0.001 0.000 0.298 192 F C 2.678 178.371 175.800 -0.179 0.000 1.105 192 F CA 1.086 59.014 58.000 -0.120 0.000 1.239 192 F CB -0.757 38.039 39.000 -0.340 0.000 0.991 192 F HN 0.238 nan 8.300 nan 0.000 0.474 193 A N 0.275 122.693 122.820 -0.670 0.000 1.865 193 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 193 A C 2.297 179.534 177.584 -0.579 0.000 1.191 193 A CA 1.858 53.085 52.037 -1.350 0.000 0.623 193 A CB -1.483 16.625 19.000 -1.486 0.000 0.826 193 A HN 0.622 nan 8.150 nan 0.000 0.444 194 H N -0.098 118.885 119.070 -0.146 0.000 2.319 194 H HA -0.103 4.452 4.556 -0.001 0.000 0.297 194 H C 2.619 177.948 175.328 0.003 0.000 1.097 194 H CA 1.853 57.934 56.048 0.055 0.000 1.285 194 H CB -0.404 29.410 29.762 0.088 0.000 1.368 194 H HN 0.478 nan 8.280 nan 0.000 0.495 195 S N -0.264 115.538 115.700 0.172 0.000 2.382 195 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 195 S C 2.586 177.364 174.600 0.297 0.000 1.027 195 S CA 1.118 59.474 58.200 0.261 0.000 0.991 195 S CB -0.292 63.129 63.200 0.369 0.000 0.823 195 S HN 0.447 nan 8.310 nan 0.000 0.469 196 C N 0.547 119.898 119.300 0.085 0.000 2.457 196 C HA 0.062 4.522 4.460 -0.000 0.000 0.278 196 C C 2.234 177.212 174.990 -0.020 0.000 1.309 196 C CA 0.100 59.154 59.018 0.060 0.000 1.735 196 C CB -1.552 26.058 27.740 -0.217 0.000 1.992 196 C HN 0.519 nan 8.230 nan 0.000 0.493 197 F N 1.385 121.254 119.950 -0.136 0.000 2.146 197 F HA -0.144 4.383 4.527 -0.001 0.000 0.298 197 F C 2.603 178.312 175.800 -0.152 0.000 1.096 197 F CA 1.498 59.367 58.000 -0.218 0.000 1.275 197 F CB -0.978 37.458 39.000 -0.940 0.000 1.008 197 F HN 0.326 nan 8.300 nan 0.000 0.480 198 Q N -1.454 118.327 119.800 -0.032 0.000 2.119 198 Q HA -0.243 4.097 4.340 -0.000 0.000 0.201 198 Q C 2.047 178.068 176.000 0.035 0.000 0.972 198 Q CA 1.732 57.558 55.803 0.038 0.000 0.847 198 Q CB -0.543 28.248 28.738 0.088 0.000 0.903 198 Q HN 0.514 nan 8.270 nan 0.000 0.433 199 Y N 0.873 121.134 120.300 -0.066 0.000 2.200 199 Y HA -0.185 4.365 4.550 -0.000 0.000 0.290 199 Y C 2.206 178.030 175.900 -0.127 0.000 1.137 199 Y CA 1.216 59.210 58.100 -0.178 0.000 1.163 199 Y CB -0.304 37.978 38.460 -0.297 0.000 0.988 199 Y HN 0.079 nan 8.280 nan 0.000 0.518 200 A N 0.278 123.221 122.820 0.204 0.000 1.902 200 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 200 A C 2.266 179.741 177.584 -0.182 0.000 1.181 200 A CA 1.961 54.063 52.037 0.109 0.000 0.623 200 A CB -1.083 18.069 19.000 0.254 0.000 0.818 200 A HN 0.563 nan 8.150 nan 0.000 0.443 201 I N -0.937 119.532 120.570 -0.167 0.000 2.315 201 I HA -0.249 3.920 4.170 -0.000 0.000 0.248 201 I C 2.719 178.631 176.117 -0.341 0.000 1.117 201 I CA 1.626 62.783 61.300 -0.238 0.000 1.404 201 I CB -0.214 37.789 38.000 0.006 0.000 1.071 201 I HN 0.376 nan 8.210 nan 0.000 0.419 202 Q N 1.309 120.908 119.800 -0.334 0.000 2.124 202 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 202 Q C 1.962 177.634 176.000 -0.546 0.000 0.977 202 Q CA 1.688 57.239 55.803 -0.419 0.000 0.850 202 Q CB 0.020 28.485 28.738 -0.455 0.000 0.901 202 Q HN 0.195 nan 8.270 nan 0.000 0.429 203 K N 0.169 120.173 120.400 -0.661 0.000 2.365 203 K HA 0.036 4.356 4.320 -0.000 0.000 0.197 203 K C -0.099 176.078 176.600 -0.705 0.000 1.042 203 K CA 0.271 56.039 56.287 -0.865 0.000 0.987 203 K CB 0.486 32.270 32.500 -1.194 0.000 0.779 203 K HN 0.080 nan 8.250 nan 0.000 0.484 204 K N -0.066 120.053 120.400 -0.468 0.000 3.162 204 K HA -0.170 4.150 4.320 -0.000 0.000 0.268 204 K C -0.907 175.665 176.600 -0.046 0.000 1.062 204 K CA 0.705 56.804 56.287 -0.313 0.000 0.769 204 K CB -1.757 30.566 32.500 -0.296 0.000 1.274 204 K HN 0.150 nan 8.250 nan 0.000 0.478 205 W N -0.001 121.141 121.300 -0.263 0.000 2.864 205 W HA 0.399 5.058 4.660 -0.001 0.000 0.343 205 W C -2.080 174.240 176.519 -0.332 0.000 1.109 205 W CA -2.486 54.723 57.345 -0.225 0.000 1.192 205 W CB 0.546 29.955 29.460 -0.085 0.000 1.426 205 W HN -0.181 nan 8.180 nan 0.000 0.529 206 P HA 0.208 nan 4.420 nan 0.000 0.274 206 P C -0.953 176.194 177.300 -0.255 0.000 1.237 206 P CA -0.272 62.426 63.100 -0.671 0.000 0.793 206 P CB 0.751 31.544 31.700 -1.513 0.000 0.977 207 L N 2.494 123.607 121.223 -0.183 0.000 2.385 207 L HA 0.554 4.894 4.340 -0.000 0.000 0.273 207 L C -1.722 175.027 176.870 -0.202 0.000 0.990 207 L CA -0.604 54.263 54.840 0.046 0.000 0.821 207 L CB 0.940 43.216 42.059 0.362 0.000 1.279 207 L HN 0.228 nan 8.230 nan 0.000 0.412 208 Y N 5.253 125.659 120.300 0.178 0.000 2.446 208 Y HA 0.731 5.281 4.550 -0.000 0.000 0.345 208 Y C -0.103 175.879 175.900 0.137 0.000 0.984 208 Y CA -0.825 57.284 58.100 0.014 0.000 1.058 208 Y CB 2.142 40.468 38.460 -0.224 0.000 1.220 208 Y HN 0.484 nan 8.280 nan 0.000 0.455 209 M N 3.462 123.174 119.600 0.187 0.000 2.326 209 M HA 0.499 4.979 4.480 -0.000 0.000 0.306 209 M C -1.240 175.042 176.300 -0.031 0.000 1.054 209 M CA -0.512 54.826 55.300 0.062 0.000 0.922 209 M CB 1.755 34.186 32.600 -0.282 0.000 1.632 209 M HN 0.763 nan 8.290 nan 0.000 0.436 210 S N 3.323 119.068 115.700 0.073 0.000 2.501 210 S HA 0.956 5.426 4.470 -0.000 0.000 0.301 210 S C -0.190 174.405 174.600 -0.008 0.000 1.096 210 S CA -0.319 57.869 58.200 -0.020 0.000 1.063 210 S CB 1.891 65.220 63.200 0.216 0.000 1.042 210 S HN 0.862 nan 8.310 nan 0.000 0.494 211 T N -1.281 113.268 114.554 -0.009 0.000 2.671 211 T HA 0.658 5.008 4.350 -0.000 0.000 0.300 211 T C -1.193 173.560 174.700 0.088 0.000 1.238 211 T CA -0.822 61.325 62.100 0.079 0.000 1.020 211 T CB 1.431 70.433 68.868 0.223 0.000 1.503 211 T HN 0.547 nan 8.240 nan 0.000 0.497 212 K N 1.304 121.753 120.400 0.082 0.000 3.206 212 K HA 0.320 4.640 4.320 -0.000 0.000 0.180 212 K C 1.144 177.792 176.600 0.079 0.000 1.088 212 K CA -0.373 55.952 56.287 0.063 0.000 0.872 212 K CB -0.515 31.996 32.500 0.018 0.000 0.976 212 K HN 0.595 nan 8.250 nan 0.000 0.564 213 N N -0.354 118.422 118.700 0.128 0.000 2.520 213 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 213 N C 0.692 176.240 175.510 0.064 0.000 1.068 213 N CA 1.574 54.682 53.050 0.097 0.000 0.911 213 N CB -0.098 38.431 38.487 0.070 0.000 0.961 213 N HN 0.366 nan 8.380 nan 0.000 0.446 214 T N -1.914 112.676 114.554 0.060 0.000 2.995 214 T HA 0.103 4.453 4.350 -0.000 0.000 0.269 214 T C 1.793 176.507 174.700 0.023 0.000 1.091 214 T CA 0.335 62.458 62.100 0.037 0.000 1.128 214 T CB 0.095 68.983 68.868 0.033 0.000 0.891 214 T HN 0.045 nan 8.240 nan 0.000 0.492 215 I N 0.353 120.935 120.570 0.020 0.000 3.136 215 I HA 0.337 4.507 4.170 -0.000 0.000 0.262 215 I C 1.113 177.232 176.117 0.003 0.000 1.132 215 I CA 0.284 61.585 61.300 0.001 0.000 1.450 215 I CB -0.618 37.373 38.000 -0.015 0.000 1.315 215 I HN 0.230 nan 8.210 nan 0.000 0.460 216 L N 2.331 123.564 121.223 0.016 0.000 2.449 216 L HA 0.203 4.543 4.340 -0.000 0.000 0.255 216 L C 1.430 178.349 176.870 0.082 0.000 1.167 216 L CA -0.124 54.738 54.840 0.036 0.000 1.090 216 L CB 0.096 42.175 42.059 0.034 0.000 1.385 216 L HN 0.141 nan 8.230 nan 0.000 0.411 217 K N 1.077 121.512 120.400 0.058 0.000 2.103 217 K HA -0.189 4.130 4.320 -0.000 0.000 0.207 217 K C 2.010 178.658 176.600 0.080 0.000 1.048 217 K CA 1.640 57.964 56.287 0.061 0.000 0.930 217 K CB 0.056 32.581 32.500 0.042 0.000 0.716 217 K HN 0.645 nan 8.250 nan 0.000 0.444 218 A N 0.427 123.299 122.820 0.087 0.000 1.871 218 A HA -0.089 4.230 4.320 -0.000 0.000 0.211 218 A C 2.030 179.696 177.584 0.135 0.000 1.207 218 A CA 0.636 52.724 52.037 0.085 0.000 0.620 218 A CB -0.724 18.306 19.000 0.050 0.000 0.860 218 A HN 0.265 nan 8.150 nan 0.000 0.450 219 Y N 1.169 121.503 120.300 0.056 0.000 2.089 219 Y HA -0.234 4.316 4.550 -0.000 0.000 0.282 219 Y C 1.922 177.974 175.900 0.254 0.000 1.139 219 Y CA 2.408 60.585 58.100 0.127 0.000 1.123 219 Y CB -0.165 38.342 38.460 0.077 0.000 0.980 219 Y HN 0.346 nan 8.280 nan 0.000 0.493 220 D N -1.024 119.632 120.400 0.426 0.000 2.224 220 D HA -0.054 4.585 4.640 -0.000 0.000 0.205 220 D C 2.285 178.759 176.300 0.289 0.000 0.965 220 D CA 1.193 55.400 54.000 0.345 0.000 0.852 220 D CB -0.770 40.143 40.800 0.189 0.000 0.947 220 D HN 0.504 nan 8.370 nan 0.000 0.494 221 G N 0.470 109.385 108.800 0.191 0.000 2.432 221 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.219 221 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.219 221 G C 1.798 176.779 174.900 0.135 0.000 1.135 221 G CA 0.528 45.697 45.100 0.116 0.000 0.767 221 G HN 0.161 nan 8.290 nan 0.000 0.550 222 R N -0.250 120.344 120.500 0.156 0.000 2.075 222 R HA 0.055 4.395 4.340 -0.000 0.000 0.232 222 R C 2.160 178.534 176.300 0.123 0.000 1.126 222 R CA 1.078 57.226 56.100 0.080 0.000 0.963 222 R CB -0.653 29.626 30.300 -0.034 0.000 0.858 222 R HN 0.358 nan 8.270 nan 0.000 0.435 223 F N 0.716 120.741 119.950 0.125 0.000 2.102 223 F HA -0.107 4.420 4.527 0.000 0.000 0.298 223 F C 2.324 178.265 175.800 0.236 0.000 1.105 223 F CA 1.809 59.941 58.000 0.220 0.000 1.239 223 F CB -0.414 38.704 39.000 0.197 0.000 0.991 223 F HN 0.047 nan 8.300 nan 0.000 0.474 224 K N 0.308 120.897 120.400 0.316 0.000 2.032 224 K HA -0.201 4.118 4.320 -0.000 0.000 0.209 224 K C 1.725 178.450 176.600 0.208 0.000 1.048 224 K CA 2.024 58.407 56.287 0.160 0.000 0.927 224 K CB -0.213 32.198 32.500 -0.149 0.000 0.712 224 K HN 0.100 nan 8.250 nan 0.000 0.441 225 D N 0.669 121.162 120.400 0.155 0.000 2.097 225 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 225 D C 1.975 178.368 176.300 0.155 0.000 0.989 225 D CA 1.214 55.292 54.000 0.130 0.000 0.827 225 D CB -0.182 40.666 40.800 0.080 0.000 0.966 225 D HN 0.289 nan 8.370 nan 0.000 0.456 226 I N 0.026 120.689 120.570 0.156 0.000 2.226 226 I HA -0.261 3.908 4.170 -0.000 0.000 0.245 226 I C 2.155 178.359 176.117 0.144 0.000 1.100 226 I CA 0.717 62.082 61.300 0.109 0.000 1.374 226 I CB -0.175 37.848 38.000 0.039 0.000 1.057 226 I HN -0.116 nan 8.210 nan 0.000 0.413 227 F N 0.925 120.931 119.950 0.092 0.000 2.102 227 F HA -0.279 4.247 4.527 -0.001 0.000 0.298 227 F C 2.758 178.662 175.800 0.173 0.000 1.105 227 F CA 1.824 59.896 58.000 0.120 0.000 1.239 227 F CB -0.595 38.458 39.000 0.088 0.000 0.991 227 F HN 0.052 nan 8.300 nan 0.000 0.474 228 Q N 0.657 120.699 119.800 0.403 0.000 2.084 228 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 228 Q C 1.937 178.062 176.000 0.208 0.000 0.978 228 Q CA 1.894 57.910 55.803 0.356 0.000 0.844 228 Q CB -0.308 28.612 28.738 0.303 0.000 0.898 228 Q HN 0.486 nan 8.270 nan 0.000 0.426 229 E N -0.350 119.925 120.200 0.125 0.000 2.051 229 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 229 E C 2.028 178.613 176.600 -0.026 0.000 0.991 229 E CA 1.378 57.801 56.400 0.039 0.000 0.799 229 E CB -0.190 29.529 29.700 0.032 0.000 0.748 229 E HN 0.406 nan 8.360 nan 0.000 0.449 230 I N 0.496 121.049 120.570 -0.029 0.000 2.286 230 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 230 I C 2.253 178.232 176.117 -0.230 0.000 1.115 230 I CA 0.692 61.943 61.300 -0.082 0.000 1.392 230 I CB -0.168 37.717 38.000 -0.192 0.000 1.065 230 I HN 0.091 nan 8.210 nan 0.000 0.418 231 F N 2.085 121.716 119.950 -0.531 0.000 2.075 231 F HA -0.237 4.289 4.527 -0.001 0.000 0.297 231 F C 2.425 177.988 175.800 -0.395 0.000 1.113 231 F CA 1.861 59.390 58.000 -0.784 0.000 1.218 231 F CB -0.430 38.208 39.000 -0.602 0.000 0.984 231 F HN 0.024 nan 8.300 nan 0.000 0.472 232 E N -0.055 119.960 120.200 -0.309 0.000 2.110 232 E HA -0.261 4.088 4.350 -0.000 0.000 0.193 232 E C 2.201 178.569 176.600 -0.386 0.000 0.988 232 E CA 1.453 57.643 56.400 -0.350 0.000 0.804 232 E CB -0.207 29.423 29.700 -0.117 0.000 0.745 232 E HN 0.405 nan 8.360 nan 0.000 0.458 233 K N -0.280 119.884 120.400 -0.394 0.000 2.076 233 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 233 K C 1.684 177.848 176.600 -0.727 0.000 1.051 233 K CA 1.029 56.994 56.287 -0.537 0.000 0.949 233 K CB 0.249 32.379 32.500 -0.616 0.000 0.726 233 K HN 0.214 nan 8.250 nan 0.000 0.443 234 H N -2.273 116.498 119.070 -0.499 0.000 2.788 234 H HA 0.072 4.628 4.556 -0.001 0.000 0.262 234 H C 0.624 175.387 175.328 -0.943 0.000 0.968 234 H CA 0.558 56.154 56.048 -0.755 0.000 1.218 234 H CB 0.597 29.740 29.762 -1.031 0.000 1.443 234 H HN 0.189 nan 8.280 nan 0.000 0.478 235 Y N 0.338 120.450 120.300 -0.313 0.000 2.432 235 Y HA 0.218 4.768 4.550 -0.000 0.000 0.252 235 Y C 2.221 177.887 175.900 -0.390 0.000 1.097 235 Y CA -0.380 57.568 58.100 -0.254 0.000 1.250 235 Y CB 0.613 38.922 38.460 -0.251 0.000 1.245 235 Y HN -0.107 nan 8.280 nan 0.000 0.522 236 K N 0.487 120.406 120.400 -0.801 0.000 2.103 236 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 236 K C 1.588 178.076 176.600 -0.186 0.000 1.048 236 K CA 2.005 57.788 56.287 -0.840 0.000 0.930 236 K CB -0.068 31.869 32.500 -0.939 0.000 0.716 236 K HN 0.206 nan 8.250 nan 0.000 0.444 237 T N 1.333 115.795 114.554 -0.154 0.000 2.684 237 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 237 T C 1.206 175.911 174.700 0.010 0.000 1.036 237 T CA 1.737 63.799 62.100 -0.064 0.000 1.148 237 T CB -0.334 68.482 68.868 -0.087 0.000 0.863 237 T HN 0.307 nan 8.240 nan 0.000 0.436 238 D N 0.211 120.667 120.400 0.094 0.000 2.117 238 D HA 0.013 4.653 4.640 -0.000 0.000 0.198 238 D C 1.832 178.281 176.300 0.248 0.000 0.982 238 D CA 0.646 54.721 54.000 0.127 0.000 0.828 238 D CB -0.405 40.581 40.800 0.310 0.000 0.967 238 D HN 0.270 nan 8.370 nan 0.000 0.464 239 F N 1.616 121.689 119.950 0.205 0.000 2.095 239 F HA -0.153 4.374 4.527 0.000 0.000 0.298 239 F C 2.174 178.115 175.800 0.236 0.000 1.104 239 F CA 1.107 59.295 58.000 0.314 0.000 1.232 239 F CB -0.377 38.924 39.000 0.502 0.000 0.987 239 F HN -0.100 nan 8.300 nan 0.000 0.475 240 D N -0.091 120.515 120.400 0.343 0.000 2.117 240 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 240 D C 2.208 178.569 176.300 0.102 0.000 0.987 240 D CA 1.190 55.320 54.000 0.217 0.000 0.829 240 D CB -0.447 40.433 40.800 0.133 0.000 0.961 240 D HN 0.228 nan 8.370 nan 0.000 0.460 241 K N -0.217 120.166 120.400 -0.028 0.000 2.063 241 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 241 K C 1.311 177.790 176.600 -0.202 0.000 1.048 241 K CA 1.110 57.274 56.287 -0.206 0.000 0.928 241 K CB -0.097 32.130 32.500 -0.456 0.000 0.713 241 K HN 0.145 nan 8.250 nan 0.000 0.442 242 Y N 1.120 121.460 120.300 0.067 0.000 2.461 242 Y HA 0.154 4.704 4.550 -0.000 0.000 0.277 242 Y C 0.004 175.939 175.900 0.057 0.000 1.182 242 Y CA -0.077 58.039 58.100 0.028 0.000 1.276 242 Y CB 0.417 38.850 38.460 -0.044 0.000 1.087 242 Y HN -0.014 nan 8.280 nan 0.000 0.519 243 K N -0.051 120.484 120.400 0.224 0.000 3.129 243 K HA -0.210 4.110 4.320 -0.000 0.000 0.273 243 K C -0.111 176.677 176.600 0.312 0.000 1.123 243 K CA 0.954 57.396 56.287 0.258 0.000 0.800 243 K CB -2.570 30.063 32.500 0.222 0.000 1.238 243 K HN 0.633 nan 8.250 nan 0.000 0.492 244 I N -3.541 117.180 120.570 0.252 0.000 3.217 244 I HA 0.862 5.032 4.170 -0.000 0.000 0.308 244 I C 0.153 176.547 176.117 0.462 0.000 1.091 244 I CA -1.167 60.170 61.300 0.062 0.000 1.013 244 I CB 1.510 39.349 38.000 -0.268 0.000 1.250 244 I HN 0.083 nan 8.210 nan 0.000 0.496 245 W N 0.567 122.107 121.300 0.399 0.000 3.042 245 W HA 0.672 5.332 4.660 -0.001 0.000 0.342 245 W C -2.224 174.510 176.519 0.358 0.000 1.240 245 W CA -1.223 56.384 57.345 0.438 0.000 1.166 245 W CB 0.409 29.970 29.460 0.168 0.000 1.469 245 W HN 0.605 nan 8.180 nan 0.000 0.579 246 Y N 1.404 121.771 120.300 0.112 0.000 2.361 246 Y HA 0.659 5.209 4.550 -0.000 0.000 0.337 246 Y C -0.988 174.831 175.900 -0.134 0.000 0.965 246 Y CA -1.400 56.547 58.100 -0.256 0.000 1.091 246 Y CB 1.712 39.595 38.460 -0.962 0.000 1.182 246 Y HN 0.661 nan 8.280 nan 0.000 0.450 247 E N 4.496 124.105 120.200 -0.985 0.000 2.308 247 E HA 0.146 4.496 4.350 -0.000 0.000 0.275 247 E C -1.613 174.638 176.600 -0.581 0.000 0.890 247 E CA -1.031 54.966 56.400 -0.672 0.000 0.754 247 E CB 1.726 31.378 29.700 -0.079 0.000 1.207 247 E HN 0.689 nan 8.360 nan 0.000 0.426 248 H N 3.365 122.161 119.070 -0.457 0.000 2.511 248 H HA 0.473 5.029 4.556 0.000 0.000 0.346 248 H C -0.820 174.453 175.328 -0.091 0.000 1.128 248 H CA 0.079 56.018 56.048 -0.182 0.000 1.342 248 H CB 0.958 30.686 29.762 -0.057 0.000 1.470 248 H HN 0.490 nan 8.280 nan 0.000 0.546 249 R N 3.613 123.623 120.500 -0.816 0.000 2.651 249 R HA 0.314 4.654 4.340 -0.000 0.000 0.278 249 R C -0.601 175.364 176.300 -0.560 0.000 1.010 249 R CA -0.885 54.904 56.100 -0.517 0.000 0.896 249 R CB 2.172 32.268 30.300 -0.340 0.000 1.211 249 R HN 0.509 nan 8.270 nan 0.000 0.456 250 L N 3.429 124.498 121.223 -0.256 0.000 2.453 250 L HA 0.033 4.373 4.340 -0.000 0.000 0.272 250 L C 1.752 178.561 176.870 -0.102 0.000 1.182 250 L CA 0.046 54.819 54.840 -0.112 0.000 0.858 250 L CB 0.368 42.412 42.059 -0.025 0.000 1.120 250 L HN 0.691 nan 8.230 nan 0.000 0.474 251 I N 2.344 122.893 120.570 -0.036 0.000 2.194 251 I HA -0.328 3.842 4.170 -0.000 0.000 0.246 251 I C 2.111 178.239 176.117 0.019 0.000 1.093 251 I CA 2.032 63.349 61.300 0.028 0.000 1.355 251 I CB -0.321 37.720 38.000 0.067 0.000 1.046 251 I HN 0.874 nan 8.210 nan 0.000 0.413 252 D N -0.671 119.728 120.400 -0.001 0.000 2.144 252 D HA -0.210 4.430 4.640 -0.000 0.000 0.200 252 D C 1.619 177.891 176.300 -0.046 0.000 0.978 252 D CA 1.426 55.421 54.000 -0.008 0.000 0.833 252 D CB -0.958 39.838 40.800 -0.008 0.000 0.961 252 D HN 0.365 nan 8.370 nan 0.000 0.470 253 D N -0.031 120.324 120.400 -0.076 0.000 2.117 253 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 253 D C 2.020 178.211 176.300 -0.182 0.000 0.982 253 D CA 0.786 54.717 54.000 -0.116 0.000 0.828 253 D CB -0.301 40.425 40.800 -0.124 0.000 0.967 253 D HN 0.170 nan 8.370 nan 0.000 0.464 254 M N 1.182 120.653 119.600 -0.215 0.000 2.065 254 M HA -0.162 4.318 4.480 -0.000 0.000 0.259 254 M C 2.201 178.276 176.300 -0.375 0.000 1.069 254 M CA 1.294 56.371 55.300 -0.371 0.000 1.110 254 M CB -0.563 31.831 32.600 -0.344 0.000 1.328 254 M HN 0.010 nan 8.290 nan 0.000 0.405 255 V N -1.227 118.597 119.914 -0.150 0.000 2.407 255 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 255 V C 2.317 178.377 176.094 -0.057 0.000 1.055 255 V CA 1.755 64.030 62.300 -0.042 0.000 1.049 255 V CB -2.406 29.489 31.823 0.120 0.000 0.662 255 V HN 0.503 nan 8.190 nan 0.000 0.455 256 A N -0.026 122.746 122.820 -0.080 0.000 1.898 256 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 256 A C 2.386 179.910 177.584 -0.099 0.000 1.181 256 A CA 1.877 53.874 52.037 -0.066 0.000 0.620 256 A CB -0.674 18.286 19.000 -0.068 0.000 0.819 256 A HN 0.676 nan 8.150 nan 0.000 0.442 257 Q N -0.052 119.634 119.800 -0.190 0.000 2.096 257 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 257 Q C 1.926 177.794 176.000 -0.221 0.000 0.982 257 Q CA 2.193 57.845 55.803 -0.252 0.000 0.850 257 Q CB -0.254 28.233 28.738 -0.419 0.000 0.901 257 Q HN 0.388 nan 8.270 nan 0.000 0.422 258 V N 1.014 120.775 119.914 -0.255 0.000 2.295 258 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 258 V C 2.345 178.603 176.094 0.273 0.000 1.049 258 V CA 1.525 63.780 62.300 -0.075 0.000 1.024 258 V CB -0.610 31.091 31.823 -0.204 0.000 0.648 258 V HN 0.402 nan 8.190 nan 0.000 0.447 259 L N 0.279 121.647 121.223 0.242 0.000 2.131 259 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 259 L C 2.252 179.227 176.870 0.176 0.000 1.092 259 L CA 2.015 57.025 54.840 0.283 0.000 0.759 259 L CB -0.636 41.478 42.059 0.092 0.000 0.903 259 L HN 0.253 nan 8.230 nan 0.000 0.435 260 K N -0.841 119.618 120.400 0.098 0.000 2.444 260 K HA 0.066 4.386 4.320 -0.000 0.000 0.193 260 K C 0.904 177.560 176.600 0.093 0.000 1.024 260 K CA 0.433 56.749 56.287 0.048 0.000 1.077 260 K CB 0.159 32.653 32.500 -0.010 0.000 0.833 260 K HN 0.519 nan 8.250 nan 0.000 0.517 261 S N -0.535 115.272 115.700 0.178 0.000 2.661 261 S HA 0.068 4.538 4.470 -0.000 0.000 0.265 261 S C 0.752 175.524 174.600 0.286 0.000 1.225 261 S CA -0.193 58.120 58.200 0.189 0.000 0.986 261 S CB 1.433 64.757 63.200 0.207 0.000 1.008 261 S HN 0.181 nan 8.310 nan 0.000 0.565 262 S N -0.993 114.843 115.700 0.226 0.000 2.602 262 S HA 0.564 5.034 4.470 -0.000 0.000 0.240 262 S C 1.109 175.791 174.600 0.138 0.000 0.992 262 S CA -0.080 58.245 58.200 0.209 0.000 0.971 262 S CB -1.072 62.211 63.200 0.137 0.000 0.855 262 S HN 1.985 nan 8.310 nan 0.000 0.481 263 G N 1.048 109.887 108.800 0.066 0.000 2.645 263 G HA2 0.290 4.250 3.960 -0.000 0.000 0.239 263 G HA3 0.290 4.250 3.960 -0.000 0.000 0.239 263 G C 0.481 175.167 174.900 -0.358 0.000 1.331 263 G CA -0.133 44.780 45.100 -0.312 0.000 0.890 263 G HN 1.896 nan 8.290 nan 0.000 0.572 264 G N -2.367 105.936 108.800 -0.829 0.000 2.248 264 G HA2 0.417 4.377 3.960 -0.000 0.000 0.252 264 G HA3 0.417 4.377 3.960 -0.000 0.000 0.252 264 G C 0.108 174.135 174.900 -1.455 0.000 1.085 264 G CA 1.021 45.377 45.100 -1.239 0.000 0.845 264 G HN 2.433 nan 8.290 nan 0.000 0.494 265 F N -2.991 116.221 119.950 -1.230 0.000 2.713 265 F HA 0.765 5.292 4.527 -0.000 0.000 0.311 265 F C -0.580 175.240 175.800 0.033 0.000 1.141 265 F CA -1.945 55.776 58.000 -0.465 0.000 0.939 265 F CB 0.921 39.862 39.000 -0.098 0.000 1.325 265 F HN 0.198 nan 8.300 nan 0.000 0.453 266 V N 1.578 121.835 119.914 0.572 0.000 2.472 266 V HA 0.308 4.428 4.120 -0.000 0.000 0.290 266 V C -1.431 175.053 176.094 0.650 0.000 1.037 266 V CA -0.329 62.312 62.300 0.567 0.000 0.908 266 V CB 1.559 33.702 31.823 0.535 0.000 0.985 266 V HN 0.813 nan 8.190 nan 0.000 0.454 267 W N 5.060 126.562 121.300 0.338 0.000 2.393 267 W HA 0.744 5.403 4.660 -0.001 0.000 0.315 267 W C -0.141 176.483 176.519 0.174 0.000 1.009 267 W CA -1.802 55.721 57.345 0.298 0.000 1.313 267 W CB 1.132 30.776 29.460 0.307 0.000 1.269 267 W HN 0.685 nan 8.180 nan 0.000 0.420 268 A N 5.217 128.303 122.820 0.445 0.000 2.347 268 A HA 0.593 4.913 4.320 -0.000 0.000 0.287 268 A C -0.566 177.152 177.584 0.222 0.000 1.199 268 A CA -0.005 52.178 52.037 0.243 0.000 0.851 268 A CB -0.092 18.914 19.000 0.009 0.000 1.118 268 A HN 0.576 nan 8.150 nan 0.000 0.525 269 C N 2.831 122.198 119.300 0.112 0.000 2.456 269 C HA 0.472 4.932 4.460 -0.000 0.000 0.325 269 C C 0.722 175.696 174.990 -0.027 0.000 1.217 269 C CA -0.863 58.099 59.018 -0.092 0.000 1.687 269 C CB 1.350 28.812 27.740 -0.463 0.000 2.270 269 C HN 0.943 nan 8.230 nan 0.000 0.499 270 K N 1.673 122.028 120.400 -0.075 0.000 2.230 270 K HA 0.019 4.339 4.320 -0.000 0.000 0.253 270 K C 1.255 177.766 176.600 -0.147 0.000 1.008 270 K CA -0.162 56.045 56.287 -0.133 0.000 0.910 270 K CB 0.399 32.767 32.500 -0.220 0.000 0.994 270 K HN 0.596 nan 8.250 nan 0.000 0.495 271 N N 1.157 119.771 118.700 -0.144 0.000 2.036 271 N HA -0.277 4.463 4.740 -0.000 0.000 0.199 271 N C 1.685 177.141 175.510 -0.090 0.000 1.036 271 N CA 1.874 54.804 53.050 -0.200 0.000 0.870 271 N CB -0.382 37.985 38.487 -0.199 0.000 1.055 271 N HN 0.576 nan 8.380 nan 0.000 0.436 272 Y N 1.735 122.008 120.300 -0.046 0.000 2.097 272 Y HA -0.181 4.369 4.550 -0.000 0.000 0.282 272 Y C 2.068 177.928 175.900 -0.067 0.000 1.152 272 Y CA 2.036 60.146 58.100 0.016 0.000 1.136 272 Y CB -0.549 37.903 38.460 -0.013 0.000 0.975 272 Y HN 0.135 nan 8.280 nan 0.000 0.498 273 D N -0.527 119.830 120.400 -0.071 0.000 2.144 273 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 273 D C 2.327 178.426 176.300 -0.335 0.000 0.984 273 D CA 1.475 55.361 54.000 -0.191 0.000 0.834 273 D CB -0.800 39.940 40.800 -0.099 0.000 0.955 273 D HN 0.556 nan 8.370 nan 0.000 0.465 274 G N 0.744 109.350 108.800 -0.324 0.000 2.422 274 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 274 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 274 G C 1.433 176.138 174.900 -0.325 0.000 1.146 274 G CA 1.077 45.955 45.100 -0.370 0.000 0.769 274 G HN 0.224 nan 8.290 nan 0.000 0.547 275 D N 0.034 120.250 120.400 -0.306 0.000 2.084 275 D HA -0.114 4.526 4.640 -0.000 0.000 0.194 275 D C 2.667 178.810 176.300 -0.262 0.000 0.990 275 D CA 1.291 55.136 54.000 -0.259 0.000 0.826 275 D CB -0.260 40.420 40.800 -0.200 0.000 0.971 275 D HN 0.145 nan 8.370 nan 0.000 0.453 276 V N 0.559 120.255 119.914 -0.363 0.000 2.261 276 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 276 V C 2.477 178.464 176.094 -0.179 0.000 1.047 276 V CA 1.639 63.767 62.300 -0.287 0.000 1.015 276 V CB -0.695 30.908 31.823 -0.366 0.000 0.642 276 V HN 0.286 nan 8.190 nan 0.000 0.446 277 Q N 0.586 120.255 119.800 -0.219 0.000 2.224 277 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 277 Q C 2.523 178.443 176.000 -0.134 0.000 0.970 277 Q CA 1.732 57.434 55.803 -0.169 0.000 0.865 277 Q CB -0.718 27.776 28.738 -0.406 0.000 0.922 277 Q HN 0.830 nan 8.270 nan 0.000 0.445 278 S N 0.377 115.968 115.700 -0.182 0.000 2.423 278 S HA -0.114 4.355 4.470 -0.000 0.000 0.231 278 S C 1.227 175.816 174.600 -0.018 0.000 1.014 278 S CA 1.127 59.264 58.200 -0.106 0.000 0.965 278 S CB -0.008 63.108 63.200 -0.139 0.000 0.785 278 S HN 0.117 nan 8.310 nan 0.000 0.495 279 D N 1.409 121.792 120.400 -0.027 0.000 2.234 279 D HA 0.211 4.850 4.640 -0.000 0.000 0.205 279 D C 1.728 178.065 176.300 0.061 0.000 0.962 279 D CA 0.534 54.540 54.000 0.011 0.000 0.855 279 D CB -0.237 40.553 40.800 -0.017 0.000 0.951 279 D HN 0.435 nan 8.370 nan 0.000 0.500 280 I N 0.174 120.790 120.570 0.078 0.000 2.252 280 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 280 I C 2.216 178.494 176.117 0.269 0.000 1.102 280 I CA 0.592 61.980 61.300 0.147 0.000 1.385 280 I CB 0.015 38.118 38.000 0.172 0.000 1.064 280 I HN 0.018 nan 8.210 nan 0.000 0.414 281 L N 0.400 121.787 121.223 0.273 0.000 2.017 281 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 281 L C 2.880 180.021 176.870 0.451 0.000 1.073 281 L CA 1.513 56.574 54.840 0.368 0.000 0.745 281 L CB -0.741 41.449 42.059 0.219 0.000 0.894 281 L HN 0.251 nan 8.230 nan 0.000 0.432 282 A N -0.444 122.536 122.820 0.267 0.000 1.883 282 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 282 A C 2.172 179.884 177.584 0.213 0.000 1.186 282 A CA 2.053 54.224 52.037 0.223 0.000 0.624 282 A CB -0.594 18.473 19.000 0.113 0.000 0.822 282 A HN 0.406 nan 8.150 nan 0.000 0.444 283 Q N -0.228 119.663 119.800 0.153 0.000 2.119 283 Q HA -0.007 4.332 4.340 -0.000 0.000 0.201 283 Q C 1.941 177.989 176.000 0.080 0.000 0.972 283 Q CA 2.017 57.873 55.803 0.090 0.000 0.847 283 Q CB -0.956 27.810 28.738 0.046 0.000 0.903 283 Q HN 0.510 nan 8.270 nan 0.000 0.433 284 G N -0.999 107.875 108.800 0.124 0.000 2.422 284 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 284 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 284 G C 0.901 175.759 174.900 -0.070 0.000 1.146 284 G CA 0.628 45.689 45.100 -0.066 0.000 0.769 284 G HN 0.401 nan 8.290 nan 0.000 0.547 285 F N 0.703 120.820 119.950 0.280 0.000 2.661 285 F HA 0.297 4.824 4.527 -0.000 0.000 0.298 285 F C 2.146 177.999 175.800 0.088 0.000 1.137 285 F CA 0.901 59.031 58.000 0.217 0.000 1.454 285 F CB 0.672 39.792 39.000 0.200 0.000 1.103 285 F HN 0.329 nan 8.300 nan 0.000 0.577 286 G N -1.551 107.357 108.800 0.179 0.000 3.709 286 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.196 286 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.196 286 G C 0.045 174.975 174.900 0.051 0.000 1.177 286 G CA 0.124 45.277 45.100 0.088 0.000 0.906 286 G HN 0.340 nan 8.290 nan 0.000 0.416 287 S N -0.884 114.857 115.700 0.068 0.000 2.542 287 S HA 0.553 5.023 4.470 -0.000 0.000 0.276 287 S C 0.710 175.331 174.600 0.035 0.000 1.148 287 S CA -0.255 57.960 58.200 0.026 0.000 0.886 287 S CB 1.083 64.278 63.200 -0.007 0.000 1.109 287 S HN 0.509 nan 8.310 nan 0.000 0.458 288 L N 3.203 124.435 121.223 0.015 0.000 2.362 288 L HA 0.133 4.473 4.340 -0.000 0.000 0.219 288 L C 2.348 179.235 176.870 0.028 0.000 1.134 288 L CA 1.389 56.246 54.840 0.027 0.000 0.807 288 L CB -0.375 41.691 42.059 0.012 0.000 0.927 288 L HN 0.879 nan 8.230 nan 0.000 0.447 289 G N -0.564 108.221 108.800 -0.025 0.000 2.985 289 G HA2 0.107 4.066 3.960 -0.000 0.000 0.209 289 G HA3 0.107 4.066 3.960 -0.000 0.000 0.209 289 G C 0.843 175.743 174.900 -0.000 0.000 1.165 289 G CA -0.194 44.885 45.100 -0.035 0.000 0.776 289 G HN 0.215 nan 8.290 nan 0.000 0.541 290 L N 1.010 122.225 121.223 -0.013 0.000 2.719 290 L HA 0.593 4.933 4.340 -0.000 0.000 0.236 290 L C -0.274 176.554 176.870 -0.070 0.000 1.221 290 L CA -0.173 54.627 54.840 -0.067 0.000 1.048 290 L CB 0.465 42.497 42.059 -0.044 0.000 1.364 290 L HN 0.137 nan 8.230 nan 0.000 0.447 291 M N 1.279 120.840 119.600 -0.064 0.000 2.413 291 M HA 0.404 4.884 4.480 -0.000 0.000 0.287 291 M C -0.737 175.545 176.300 -0.029 0.000 1.186 291 M CA -0.298 54.976 55.300 -0.045 0.000 0.927 291 M CB 2.635 35.242 32.600 0.012 0.000 1.715 291 M HN 0.247 nan 8.290 nan 0.000 0.478 292 T N 0.188 114.736 114.554 -0.009 0.000 2.934 292 T HA 0.701 5.051 4.350 -0.000 0.000 0.283 292 T C -0.430 174.300 174.700 0.051 0.000 1.005 292 T CA -0.719 61.421 62.100 0.065 0.000 1.041 292 T CB 1.645 70.599 68.868 0.143 0.000 1.042 292 T HN 0.607 nan 8.240 nan 0.000 0.505 293 S N 0.910 116.643 115.700 0.056 0.000 2.680 293 S HA 0.534 5.004 4.470 -0.000 0.000 0.262 293 S C -1.462 173.155 174.600 0.028 0.000 1.138 293 S CA -0.692 57.520 58.200 0.019 0.000 1.072 293 S CB 0.405 63.589 63.200 -0.028 0.000 1.097 293 S HN 0.744 nan 8.310 nan 0.000 0.468 294 V N 5.397 125.345 119.914 0.057 0.000 2.483 294 V HA 0.521 4.641 4.120 -0.000 0.000 0.297 294 V C -0.346 175.781 176.094 0.056 0.000 1.027 294 V CA -0.856 61.478 62.300 0.055 0.000 0.855 294 V CB 1.536 33.409 31.823 0.085 0.000 0.995 294 V HN 0.809 nan 8.190 nan 0.000 0.424 295 L N 6.832 128.053 121.223 -0.004 0.000 2.313 295 L HA 0.498 4.838 4.340 -0.000 0.000 0.282 295 L C -0.281 176.599 176.870 0.017 0.000 1.092 295 L CA 0.547 55.375 54.840 -0.020 0.000 0.831 295 L CB 1.128 43.153 42.059 -0.058 0.000 1.159 295 L HN 0.465 nan 8.230 nan 0.000 0.442 296 V N 5.736 125.701 119.914 0.085 0.000 2.328 296 V HA 0.283 4.403 4.120 -0.000 0.000 0.278 296 V C 0.149 176.296 176.094 0.089 0.000 1.021 296 V CA -0.663 61.705 62.300 0.113 0.000 0.838 296 V CB 0.888 32.890 31.823 0.298 0.000 0.999 296 V HN 0.924 nan 8.190 nan 0.000 0.447 297 C N 6.738 126.065 119.300 0.045 0.000 2.595 297 C HA 0.225 4.685 4.460 -0.000 0.000 0.384 297 C C -0.323 174.705 174.990 0.062 0.000 1.289 297 C CA -0.745 58.298 59.018 0.043 0.000 2.372 297 C CB 0.583 28.334 27.740 0.019 0.000 2.593 297 C HN 0.687 nan 8.230 nan 0.000 0.639 298 P HA -0.131 nan 4.420 nan 0.000 0.219 298 P C 0.890 178.208 177.300 0.031 0.000 1.146 298 P CA 1.450 64.580 63.100 0.051 0.000 0.808 298 P CB -0.094 31.627 31.700 0.034 0.000 0.779 299 D N -1.312 119.104 120.400 0.027 0.000 2.371 299 D HA 0.002 4.642 4.640 -0.000 0.000 0.221 299 D C 1.379 177.700 176.300 0.034 0.000 0.986 299 D CA 0.836 54.848 54.000 0.020 0.000 0.899 299 D CB -1.358 39.453 40.800 0.018 0.000 0.902 299 D HN 0.174 nan 8.370 nan 0.000 0.530 300 G N 0.890 109.722 108.800 0.053 0.000 2.225 300 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.267 300 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.267 300 G C 0.715 175.676 174.900 0.101 0.000 1.024 300 G CA 0.900 46.043 45.100 0.072 0.000 0.784 300 G HN 0.614 nan 8.290 nan 0.000 0.507 301 K N -1.776 118.692 120.400 0.114 0.000 2.620 301 K HA 0.130 4.450 4.320 -0.000 0.000 0.208 301 K C 0.408 177.157 176.600 0.249 0.000 1.582 301 K CA 0.686 57.078 56.287 0.174 0.000 1.083 301 K CB 0.582 33.140 32.500 0.096 0.000 1.420 301 K HN 0.248 nan 8.250 nan 0.000 0.582 302 T N 2.970 117.594 114.554 0.117 0.000 2.837 302 T HA 0.527 4.877 4.350 -0.000 0.000 0.285 302 T C -0.120 174.557 174.700 -0.039 0.000 0.984 302 T CA -0.565 61.575 62.100 0.067 0.000 1.049 302 T CB 1.213 70.101 68.868 0.034 0.000 0.947 302 T HN 0.358 nan 8.240 nan 0.000 0.472 303 I N -0.814 119.701 120.570 -0.092 0.000 2.994 303 I HA 0.758 4.928 4.170 -0.000 0.000 0.306 303 I C -1.247 174.825 176.117 -0.076 0.000 1.195 303 I CA -0.985 60.226 61.300 -0.148 0.000 1.001 303 I CB 2.759 40.546 38.000 -0.355 0.000 1.244 303 I HN 0.502 nan 8.210 nan 0.000 0.437 304 E N 3.549 123.709 120.200 -0.066 0.000 2.283 304 E HA 0.649 4.999 4.350 -0.000 0.000 0.258 304 E C -1.636 174.934 176.600 -0.050 0.000 0.893 304 E CA -0.817 55.548 56.400 -0.058 0.000 0.798 304 E CB 2.016 31.674 29.700 -0.071 0.000 1.242 304 E HN 0.935 nan 8.360 nan 0.000 0.414 305 A N 4.561 127.357 122.820 -0.039 0.000 2.290 305 A HA 0.539 4.859 4.320 -0.000 0.000 0.310 305 A C -0.303 177.270 177.584 -0.018 0.000 1.202 305 A CA -0.484 51.548 52.037 -0.010 0.000 0.837 305 A CB 0.686 19.696 19.000 0.018 0.000 1.139 305 A HN 0.751 nan 8.150 nan 0.000 0.509 306 E N 0.955 121.148 120.200 -0.012 0.000 2.416 306 E HA 0.713 5.063 4.350 -0.000 0.000 0.273 306 E C -0.802 175.784 176.600 -0.024 0.000 0.935 306 E CA -1.066 55.307 56.400 -0.045 0.000 0.784 306 E CB 1.971 31.608 29.700 -0.105 0.000 1.301 306 E HN 0.690 nan 8.360 nan 0.000 0.454 307 A N 0.966 123.739 122.820 -0.079 0.000 2.294 307 A HA 0.587 4.906 4.320 -0.000 0.000 0.316 307 A C 0.374 177.766 177.584 -0.320 0.000 1.359 307 A CA -0.100 51.834 52.037 -0.171 0.000 0.956 307 A CB 0.362 19.250 19.000 -0.186 0.000 1.155 307 A HN 0.690 nan 8.150 nan 0.000 0.544 308 A N 2.727 125.411 122.820 -0.227 0.000 2.327 308 A HA 0.404 4.724 4.320 -0.000 0.000 0.228 308 A C 0.722 178.232 177.584 -0.123 0.000 1.275 308 A CA 0.379 52.315 52.037 -0.169 0.000 0.875 308 A CB -0.864 18.079 19.000 -0.094 0.000 0.925 308 A HN 1.036 nan 8.150 nan 0.000 0.493 309 H N -3.044 116.012 119.070 -0.023 0.000 2.760 309 H HA 0.743 5.299 4.556 -0.000 0.000 0.301 309 H C 0.837 176.143 175.328 -0.037 0.000 1.498 309 H CA -0.613 55.419 56.048 -0.027 0.000 1.525 309 H CB -0.383 29.369 29.762 -0.016 0.000 1.771 309 H HN 0.053 nan 8.280 nan 0.000 0.827 310 G N -1.489 107.461 108.800 0.250 0.000 2.653 310 G HA2 0.287 4.247 3.960 -0.000 0.000 0.265 310 G HA3 0.287 4.247 3.960 -0.000 0.000 0.265 310 G C 0.619 175.619 174.900 0.168 0.000 1.237 310 G CA -0.128 45.048 45.100 0.126 0.000 0.946 310 G HN 0.960 nan 8.290 nan 0.000 0.522 311 T N -2.925 111.658 114.554 0.048 0.000 3.144 311 T HA 0.185 4.535 4.350 -0.000 0.000 0.249 311 T C 0.712 175.416 174.700 0.007 0.000 1.089 311 T CA 0.363 62.473 62.100 0.017 0.000 0.989 311 T CB -0.290 68.547 68.868 -0.051 0.000 0.992 311 T HN 1.270 nan 8.240 nan 0.000 0.540 312 V N 1.801 121.707 119.914 -0.014 0.000 5.915 312 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 312 V C 1.699 177.805 176.094 0.019 0.000 0.647 312 V CA 0.969 63.219 62.300 -0.083 0.000 0.573 312 V CB -3.309 28.407 31.823 -0.177 0.000 0.266 312 V HN 0.699 nan 8.190 nan 0.000 0.580 313 T N 0.601 115.189 114.554 0.057 0.000 2.699 313 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 313 T C 1.882 176.698 174.700 0.193 0.000 1.036 313 T CA 2.107 64.300 62.100 0.155 0.000 1.147 313 T CB -0.152 68.792 68.868 0.127 0.000 0.862 313 T HN 0.626 nan 8.240 nan 0.000 0.446 314 R N 0.838 121.410 120.500 0.121 0.000 2.112 314 R HA -0.077 4.263 4.340 -0.000 0.000 0.242 314 R C 2.255 178.721 176.300 0.277 0.000 1.137 314 R CA 1.752 57.949 56.100 0.162 0.000 0.944 314 R CB -1.083 29.296 30.300 0.132 0.000 0.857 314 R HN 0.682 nan 8.270 nan 0.000 0.435 315 H N -2.210 116.932 119.070 0.121 0.000 2.389 315 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 315 H C 1.602 177.053 175.328 0.204 0.000 1.081 315 H CA 1.008 57.139 56.048 0.139 0.000 1.345 315 H CB -0.077 29.759 29.762 0.124 0.000 1.393 315 H HN 0.177 nan 8.280 nan 0.000 0.520 316 Y N 2.221 122.651 120.300 0.217 0.000 2.224 316 Y HA -0.212 4.338 4.550 -0.000 0.000 0.289 316 Y C 2.208 178.221 175.900 0.187 0.000 1.146 316 Y CA 1.073 59.283 58.100 0.183 0.000 1.182 316 Y CB -0.060 38.476 38.460 0.127 0.000 0.983 316 Y HN -0.032 nan 8.280 nan 0.000 0.524 317 R N 0.512 121.070 120.500 0.097 0.000 2.096 317 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 317 R C 1.969 178.252 176.300 -0.028 0.000 1.127 317 R CA 1.361 57.448 56.100 -0.022 0.000 0.968 317 R CB -0.714 29.616 30.300 0.051 0.000 0.861 317 R HN 0.438 nan 8.270 nan 0.000 0.440 318 E N -0.226 120.005 120.200 0.052 0.000 2.106 318 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 318 E C 1.942 178.559 176.600 0.029 0.000 0.984 318 E CA 1.037 57.462 56.400 0.041 0.000 0.806 318 E CB -0.414 29.323 29.700 0.062 0.000 0.750 318 E HN 0.496 nan 8.360 nan 0.000 0.458 319 H N 1.298 120.358 119.070 -0.016 0.000 2.387 319 H HA -0.032 4.524 4.556 -0.000 0.000 0.299 319 H C 1.924 177.196 175.328 -0.095 0.000 1.090 319 H CA 1.902 57.944 56.048 -0.009 0.000 1.332 319 H CB 0.119 29.914 29.762 0.055 0.000 1.386 319 H HN 0.091 nan 8.280 nan 0.000 0.516 320 Q N 0.053 119.698 119.800 -0.260 0.000 2.291 320 Q HA -0.090 4.250 4.340 -0.000 0.000 0.206 320 Q C 1.256 177.134 176.000 -0.205 0.000 0.976 320 Q CA 1.141 56.763 55.803 -0.301 0.000 0.875 320 Q CB 0.152 28.681 28.738 -0.348 0.000 0.927 320 Q HN 0.502 nan 8.270 nan 0.000 0.450 321 K N -0.506 119.803 120.400 -0.152 0.000 2.437 321 K HA 0.118 4.438 4.320 -0.000 0.000 0.198 321 K C 0.654 177.193 176.600 -0.101 0.000 1.024 321 K CA 0.404 56.632 56.287 -0.099 0.000 1.148 321 K CB 0.565 33.031 32.500 -0.058 0.000 0.860 321 K HN 0.280 nan 8.250 nan 0.000 0.515 322 G N 2.232 110.932 108.800 -0.166 0.000 2.153 322 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.252 322 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.252 322 G C -0.264 174.591 174.900 -0.076 0.000 0.994 322 G CA 0.049 45.063 45.100 -0.143 0.000 0.698 322 G HN 0.317 nan 8.290 nan 0.000 0.521 323 R N 0.880 121.348 120.500 -0.053 0.000 2.474 323 R HA 0.534 4.873 4.340 -0.000 0.000 0.295 323 R C -2.126 174.218 176.300 0.073 0.000 0.980 323 R CA -1.732 54.374 56.100 0.010 0.000 0.934 323 R CB 1.597 31.904 30.300 0.012 0.000 1.101 323 R HN 0.174 nan 8.270 nan 0.000 0.469 324 P HA 0.077 nan 4.420 nan 0.000 0.274 324 P C -0.655 176.719 177.300 0.123 0.000 1.237 324 P CA -0.235 62.952 63.100 0.146 0.000 0.793 324 P CB 1.251 33.016 31.700 0.109 0.000 0.977 325 T N -3.411 111.233 114.554 0.150 0.000 2.864 325 T HA 0.426 4.776 4.350 -0.000 0.000 0.289 325 T C -0.375 174.375 174.700 0.084 0.000 1.082 325 T CA -0.814 61.312 62.100 0.043 0.000 1.009 325 T CB 1.039 69.919 68.868 0.020 0.000 1.234 325 T HN 0.217 nan 8.240 nan 0.000 0.526 326 S N 0.888 116.577 115.700 -0.019 0.000 2.222 326 S HA 0.447 4.917 4.470 -0.000 0.000 0.173 326 S C -0.478 174.188 174.600 0.111 0.000 1.466 326 S CA -0.577 57.677 58.200 0.091 0.000 1.184 326 S CB -0.806 62.467 63.200 0.123 0.000 1.168 326 S HN 0.771 nan 8.310 nan 0.000 0.475 327 T N 3.506 118.187 114.554 0.212 0.000 2.771 327 T HA 0.264 4.613 4.350 -0.000 0.000 0.291 327 T C 0.139 174.918 174.700 0.132 0.000 0.954 327 T CA -0.558 61.698 62.100 0.261 0.000 1.045 327 T CB 0.606 69.665 68.868 0.318 0.000 0.917 327 T HN 0.455 nan 8.240 nan 0.000 0.484 328 N N 4.701 123.421 118.700 0.032 0.000 2.438 328 N HA 0.081 4.820 4.740 -0.000 0.000 0.267 328 N C -1.466 174.108 175.510 0.107 0.000 1.222 328 N CA -1.782 51.260 53.050 -0.013 0.000 0.930 328 N CB 1.021 39.456 38.487 -0.086 0.000 1.083 328 N HN 0.335 nan 8.380 nan 0.000 0.476 329 P HA 0.151 nan 4.420 nan 0.000 0.267 329 P C 1.427 178.937 177.300 0.350 0.000 1.289 329 P CA 0.076 63.370 63.100 0.324 0.000 0.866 329 P CB 0.537 32.462 31.700 0.377 0.000 1.309 330 I N 0.858 121.615 120.570 0.312 0.000 2.163 330 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 330 I C 2.517 178.804 176.117 0.284 0.000 1.085 330 I CA 1.763 63.244 61.300 0.302 0.000 1.347 330 I CB -0.834 37.269 38.000 0.172 0.000 1.044 330 I HN -0.048 nan 8.210 nan 0.000 0.408 331 A N 0.071 123.034 122.820 0.238 0.000 1.908 331 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 331 A C 2.479 180.270 177.584 0.345 0.000 1.181 331 A CA 2.281 54.466 52.037 0.247 0.000 0.627 331 A CB -0.719 18.480 19.000 0.331 0.000 0.818 331 A HN 0.412 nan 8.150 nan 0.000 0.445 332 S N -0.287 115.663 115.700 0.417 0.000 2.383 332 S HA -0.056 4.414 4.470 -0.000 0.000 0.227 332 S C 1.765 176.671 174.600 0.510 0.000 1.026 332 S CA 1.290 59.795 58.200 0.509 0.000 0.981 332 S CB -0.439 63.110 63.200 0.583 0.000 0.818 332 S HN 0.551 nan 8.310 nan 0.000 0.472 333 I N 0.273 121.108 120.570 0.442 0.000 2.252 333 I HA -0.156 4.013 4.170 -0.000 0.000 0.245 333 I C 1.751 178.100 176.117 0.386 0.000 1.102 333 I CA 1.228 62.752 61.300 0.374 0.000 1.385 333 I CB -0.320 37.872 38.000 0.320 0.000 1.064 333 I HN 0.205 nan 8.210 nan 0.000 0.414 334 F N 1.023 121.084 119.950 0.184 0.000 2.293 334 F HA -0.101 4.426 4.527 -0.000 0.000 0.300 334 F C 2.516 178.402 175.800 0.142 0.000 1.086 334 F CA 0.950 59.032 58.000 0.138 0.000 1.375 334 F CB -0.799 38.266 39.000 0.108 0.000 1.045 334 F HN -0.006 nan 8.300 nan 0.000 0.516 335 A N -0.873 122.149 122.820 0.337 0.000 1.902 335 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 335 A C 2.043 179.687 177.584 0.101 0.000 1.181 335 A CA 1.443 53.600 52.037 0.199 0.000 0.623 335 A CB -1.345 17.801 19.000 0.242 0.000 0.818 335 A HN 0.490 nan 8.150 nan 0.000 0.443 336 W N 0.709 122.059 121.300 0.083 0.000 2.379 336 W HA -0.153 4.507 4.660 0.000 0.000 0.307 336 W C 2.969 179.496 176.519 0.013 0.000 1.200 336 W CA 2.424 59.772 57.345 0.004 0.000 1.297 336 W CB -0.706 28.691 29.460 -0.106 0.000 1.140 336 W HN 0.501 nan 8.180 nan 0.000 0.507 337 T N -1.518 113.144 114.554 0.181 0.000 2.746 337 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 337 T C 1.899 176.615 174.700 0.027 0.000 1.039 337 T CA 0.946 63.058 62.100 0.020 0.000 1.142 337 T CB -0.356 68.364 68.868 -0.247 0.000 0.866 337 T HN -0.072 nan 8.240 nan 0.000 0.444 338 R N 1.368 121.893 120.500 0.042 0.000 2.096 338 R HA 0.106 4.446 4.340 -0.000 0.000 0.235 338 R C 2.878 179.231 176.300 0.088 0.000 1.127 338 R CA 1.413 57.549 56.100 0.061 0.000 0.968 338 R CB -1.496 28.855 30.300 0.084 0.000 0.861 338 R HN 0.621 nan 8.270 nan 0.000 0.440 339 G N 0.897 109.747 108.800 0.083 0.000 2.404 339 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 339 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 339 G C 1.615 176.598 174.900 0.138 0.000 1.174 339 G CA 0.207 45.358 45.100 0.086 0.000 0.780 339 G HN 0.188 nan 8.290 nan 0.000 0.537 340 L N 0.193 121.511 121.223 0.159 0.000 2.093 340 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 340 L C 2.738 179.687 176.870 0.131 0.000 1.085 340 L CA 1.380 56.322 54.840 0.171 0.000 0.755 340 L CB -0.356 41.846 42.059 0.239 0.000 0.904 340 L HN 0.369 nan 8.230 nan 0.000 0.435 341 E N -0.222 120.046 120.200 0.113 0.000 2.077 341 E HA -0.308 4.042 4.350 -0.000 0.000 0.193 341 E C 2.136 178.793 176.600 0.094 0.000 0.989 341 E CA 1.489 57.937 56.400 0.081 0.000 0.800 341 E CB -0.001 29.729 29.700 0.050 0.000 0.746 341 E HN 0.478 nan 8.360 nan 0.000 0.452 342 H N 0.101 119.192 119.070 0.034 0.000 2.389 342 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 342 H C 2.094 177.445 175.328 0.039 0.000 1.081 342 H CA 1.958 58.026 56.048 0.032 0.000 1.345 342 H CB 0.033 29.816 29.762 0.036 0.000 1.393 342 H HN -0.016 nan 8.280 nan 0.000 0.520 343 R N 0.170 120.711 120.500 0.068 0.000 2.083 343 R HA -0.054 4.286 4.340 -0.000 0.000 0.237 343 R C 2.544 178.831 176.300 -0.022 0.000 1.137 343 R CA 1.791 57.906 56.100 0.024 0.000 0.951 343 R CB -1.133 29.213 30.300 0.077 0.000 0.851 343 R HN 0.438 nan 8.270 nan 0.000 0.434 344 G N 0.342 109.143 108.800 0.002 0.000 2.418 344 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 344 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 344 G C 1.230 176.104 174.900 -0.044 0.000 1.158 344 G CA 0.888 45.984 45.100 -0.006 0.000 0.771 344 G HN 0.370 nan 8.290 nan 0.000 0.545 345 K N -0.131 120.222 120.400 -0.079 0.000 2.057 345 K HA 0.084 4.403 4.320 -0.000 0.000 0.207 345 K C 2.483 179.000 176.600 -0.138 0.000 1.049 345 K CA 0.709 56.933 56.287 -0.105 0.000 0.931 345 K CB -0.270 32.159 32.500 -0.119 0.000 0.714 345 K HN 0.262 nan 8.250 nan 0.000 0.440 346 L N 0.925 122.022 121.223 -0.210 0.000 2.141 346 L HA -0.177 4.162 4.340 -0.000 0.000 0.209 346 L C 1.239 178.065 176.870 -0.074 0.000 1.094 346 L CA 1.000 55.742 54.840 -0.162 0.000 0.763 346 L CB -0.225 41.723 42.059 -0.185 0.000 0.908 346 L HN 0.160 nan 8.230 nan 0.000 0.437 347 D N -0.404 119.963 120.400 -0.055 0.000 2.350 347 D HA 0.085 4.725 4.640 -0.000 0.000 0.213 347 D C 1.451 177.738 176.300 -0.022 0.000 1.031 347 D CA 0.878 54.863 54.000 -0.025 0.000 0.861 347 D CB 0.411 41.205 40.800 -0.011 0.000 0.926 347 D HN 0.286 nan 8.370 nan 0.000 0.520 348 G N 1.909 110.691 108.800 -0.030 0.000 2.221 348 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.265 348 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.265 348 G C 0.129 175.021 174.900 -0.014 0.000 1.041 348 G CA -0.108 44.979 45.100 -0.022 0.000 0.807 348 G HN 0.272 nan 8.290 nan 0.000 0.502 349 N N 0.419 119.113 118.700 -0.011 0.000 2.719 349 N HA 0.237 4.977 4.740 -0.000 0.000 0.243 349 N C 1.673 177.185 175.510 0.003 0.000 1.104 349 N CA -0.436 52.612 53.050 -0.003 0.000 0.981 349 N CB 0.519 39.006 38.487 0.000 0.000 1.290 349 N HN 0.276 nan 8.380 nan 0.000 0.513 350 Q N 1.199 121.000 119.800 0.002 0.000 2.135 350 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 350 Q C 0.580 176.591 176.000 0.019 0.000 0.981 350 Q CA 1.363 57.169 55.803 0.006 0.000 0.856 350 Q CB 0.100 28.838 28.738 0.001 0.000 0.902 350 Q HN 0.610 nan 8.270 nan 0.000 0.425 351 D N 0.288 120.700 120.400 0.021 0.000 2.144 351 D HA -0.129 4.510 4.640 -0.000 0.000 0.199 351 D C 2.015 178.357 176.300 0.070 0.000 0.984 351 D CA 0.531 54.553 54.000 0.036 0.000 0.834 351 D CB -0.090 40.720 40.800 0.018 0.000 0.955 351 D HN 0.131 nan 8.370 nan 0.000 0.465 352 L N 0.909 122.165 121.223 0.054 0.000 2.056 352 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 352 L C 2.165 179.112 176.870 0.128 0.000 1.078 352 L CA 1.169 56.063 54.840 0.091 0.000 0.749 352 L CB -0.419 41.671 42.059 0.052 0.000 0.901 352 L HN -0.046 nan 8.230 nan 0.000 0.433 353 I N -0.729 119.882 120.570 0.068 0.000 2.179 353 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 353 I C 2.719 178.856 176.117 0.034 0.000 1.088 353 I CA 1.467 62.793 61.300 0.043 0.000 1.357 353 I CB -0.387 37.620 38.000 0.013 0.000 1.051 353 I HN 0.287 nan 8.210 nan 0.000 0.409 354 R N 0.521 121.046 120.500 0.042 0.000 2.096 354 R HA -0.221 4.119 4.340 -0.000 0.000 0.235 354 R C 2.416 178.729 176.300 0.023 0.000 1.127 354 R CA 1.585 57.697 56.100 0.021 0.000 0.968 354 R CB -0.322 29.994 30.300 0.028 0.000 0.861 354 R HN 0.256 nan 8.270 nan 0.000 0.440 355 F N 0.984 120.901 119.950 -0.056 0.000 2.075 355 F HA -0.139 4.387 4.527 -0.000 0.000 0.297 355 F C 2.117 177.859 175.800 -0.098 0.000 1.113 355 F CA 1.628 59.579 58.000 -0.080 0.000 1.218 355 F CB -0.658 38.304 39.000 -0.064 0.000 0.984 355 F HN 0.081 nan 8.300 nan 0.000 0.472 356 A N 0.175 122.945 122.820 -0.082 0.000 1.883 356 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 356 A C 2.127 179.538 177.584 -0.288 0.000 1.186 356 A CA 2.063 53.981 52.037 -0.197 0.000 0.624 356 A CB -1.007 17.986 19.000 -0.011 0.000 0.822 356 A HN 0.653 nan 8.150 nan 0.000 0.444 357 Q N -1.135 118.551 119.800 -0.190 0.000 2.119 357 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 357 Q C 2.131 178.003 176.000 -0.215 0.000 0.972 357 Q CA 1.713 57.406 55.803 -0.182 0.000 0.847 357 Q CB -0.401 28.273 28.738 -0.107 0.000 0.903 357 Q HN 0.658 nan 8.270 nan 0.000 0.433 358 T N 1.530 115.940 114.554 -0.240 0.000 2.777 358 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 358 T C 1.702 176.215 174.700 -0.312 0.000 1.040 358 T CA 0.881 62.839 62.100 -0.238 0.000 1.141 358 T CB -0.195 68.538 68.868 -0.226 0.000 0.868 358 T HN 0.115 nan 8.240 nan 0.000 0.444 359 L N 1.432 122.362 121.223 -0.489 0.000 2.093 359 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 359 L C 2.204 178.871 176.870 -0.338 0.000 1.085 359 L CA 1.730 56.283 54.840 -0.478 0.000 0.755 359 L CB -0.683 40.970 42.059 -0.676 0.000 0.904 359 L HN 0.254 nan 8.230 nan 0.000 0.435 360 E N -0.679 119.271 120.200 -0.416 0.000 2.072 360 E HA -0.269 4.081 4.350 -0.000 0.000 0.191 360 E C 2.072 178.632 176.600 -0.067 0.000 0.985 360 E CA 1.164 57.280 56.400 -0.474 0.000 0.801 360 E CB -0.042 29.246 29.700 -0.687 0.000 0.750 360 E HN 0.249 nan 8.360 nan 0.000 0.452 361 K N 0.901 121.249 120.400 -0.088 0.000 2.057 361 K HA -0.111 4.208 4.320 -0.000 0.000 0.207 361 K C 1.910 178.509 176.600 -0.002 0.000 1.049 361 K CA 0.863 57.141 56.287 -0.015 0.000 0.931 361 K CB -0.405 32.068 32.500 -0.046 0.000 0.714 361 K HN -0.060 nan 8.250 nan 0.000 0.440 362 V N 0.132 120.013 119.914 -0.056 0.000 2.407 362 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 362 V C 2.423 178.518 176.094 0.001 0.000 1.055 362 V CA 1.851 64.121 62.300 -0.050 0.000 1.049 362 V CB -0.550 31.205 31.823 -0.114 0.000 0.662 362 V HN 0.456 nan 8.190 nan 0.000 0.455 363 C N -0.721 118.609 119.300 0.050 0.000 2.432 363 C HA -0.120 4.339 4.460 -0.000 0.000 0.277 363 C C 2.742 177.845 174.990 0.189 0.000 1.249 363 C CA 1.040 60.151 59.018 0.155 0.000 1.725 363 C CB -0.815 27.132 27.740 0.346 0.000 2.028 363 C HN 0.446 nan 8.230 nan 0.000 0.477 364 V N 0.810 120.835 119.914 0.185 0.000 2.295 364 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 364 V C 2.335 178.494 176.094 0.109 0.000 1.049 364 V CA 2.024 64.412 62.300 0.147 0.000 1.024 364 V CB -0.771 31.134 31.823 0.136 0.000 0.648 364 V HN 0.609 nan 8.190 nan 0.000 0.447 365 E N -0.189 120.059 120.200 0.080 0.000 2.110 365 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 365 E C 2.268 178.911 176.600 0.071 0.000 0.988 365 E CA 1.707 58.143 56.400 0.060 0.000 0.804 365 E CB -0.285 29.434 29.700 0.031 0.000 0.745 365 E HN 0.579 nan 8.360 nan 0.000 0.458 366 T N 0.865 115.465 114.554 0.077 0.000 2.708 366 T HA -0.124 4.225 4.350 -0.000 0.000 0.266 366 T C 2.136 176.941 174.700 0.175 0.000 1.037 366 T CA 1.090 63.245 62.100 0.092 0.000 1.146 366 T CB -0.201 68.684 68.868 0.027 0.000 0.865 366 T HN -0.020 nan 8.240 nan 0.000 0.435 367 V N 1.697 121.742 119.914 0.218 0.000 2.295 367 V HA -0.170 3.949 4.120 -0.000 0.000 0.246 367 V C 2.436 178.614 176.094 0.140 0.000 1.049 367 V CA 1.701 64.128 62.300 0.212 0.000 1.024 367 V CB -0.624 31.306 31.823 0.178 0.000 0.648 367 V HN 0.570 nan 8.190 nan 0.000 0.447 368 E N 0.715 120.981 120.200 0.111 0.000 2.265 368 E HA -0.171 4.178 4.350 -0.000 0.000 0.196 368 E C 2.217 178.868 176.600 0.084 0.000 0.996 368 E CA 1.423 57.875 56.400 0.086 0.000 0.832 368 E CB -0.218 29.525 29.700 0.071 0.000 0.756 368 E HN 0.757 nan 8.360 nan 0.000 0.491 369 S N -0.843 114.911 115.700 0.091 0.000 2.522 369 S HA 0.093 4.563 4.470 -0.000 0.000 0.227 369 S C 1.605 176.264 174.600 0.097 0.000 0.986 369 S CA 0.563 58.812 58.200 0.081 0.000 0.929 369 S CB 0.469 63.710 63.200 0.070 0.000 0.769 369 S HN 0.374 nan 8.310 nan 0.000 0.529 370 G N 0.181 109.054 108.800 0.123 0.000 2.211 370 G HA2 0.013 3.973 3.960 -0.000 0.000 0.201 370 G HA3 0.013 3.973 3.960 -0.000 0.000 0.201 370 G C 0.107 175.109 174.900 0.171 0.000 0.997 370 G CA -0.250 44.936 45.100 0.143 0.000 0.652 370 G HN 1.263 nan 8.290 nan 0.000 0.500 371 A N 1.038 123.975 122.820 0.195 0.000 2.269 371 A HA 0.888 5.208 4.320 -0.000 0.000 0.302 371 A C 0.269 178.087 177.584 0.391 0.000 1.266 371 A CA 0.719 52.917 52.037 0.270 0.000 0.894 371 A CB -0.037 19.113 19.000 0.249 0.000 1.147 371 A HN 1.602 nan 8.150 nan 0.000 0.537 372 M N 1.038 120.787 119.600 0.248 0.000 2.880 372 M HA 0.622 5.102 4.480 -0.000 0.000 0.269 372 M C -0.403 175.793 176.300 -0.173 0.000 1.248 372 M CA -0.673 54.575 55.300 -0.087 0.000 0.821 372 M CB 1.387 33.983 32.600 -0.007 0.000 1.650 372 M HN 0.476 nan 8.290 nan 0.000 0.479 373 T N -1.905 112.409 114.554 -0.400 0.000 2.881 373 T HA 0.353 4.702 4.350 -0.000 0.000 0.278 373 T C 0.733 175.381 174.700 -0.088 0.000 0.982 373 T CA -0.563 61.437 62.100 -0.167 0.000 0.989 373 T CB 1.917 70.634 68.868 -0.252 0.000 1.058 373 T HN 0.915 nan 8.240 nan 0.000 0.529 374 K N 0.749 121.007 120.400 -0.236 0.000 2.059 374 K HA -0.249 4.071 4.320 -0.000 0.000 0.212 374 K C 1.967 178.368 176.600 -0.333 0.000 1.050 374 K CA 2.307 58.178 56.287 -0.695 0.000 0.927 374 K CB -0.418 31.466 32.500 -1.026 0.000 0.714 374 K HN 0.834 nan 8.250 nan 0.000 0.447 375 D N 0.728 121.012 120.400 -0.194 0.000 2.104 375 D HA -0.239 4.401 4.640 -0.000 0.000 0.194 375 D C 2.031 178.268 176.300 -0.105 0.000 0.994 375 D CA 1.401 55.324 54.000 -0.128 0.000 0.830 375 D CB -0.565 40.176 40.800 -0.099 0.000 0.959 375 D HN 0.347 nan 8.370 nan 0.000 0.452 376 L N 0.510 121.673 121.223 -0.099 0.000 2.109 376 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 376 L C 2.977 179.821 176.870 -0.044 0.000 1.086 376 L CA 0.957 55.757 54.840 -0.067 0.000 0.760 376 L CB -0.518 41.502 42.059 -0.065 0.000 0.910 376 L HN 0.068 nan 8.230 nan 0.000 0.437 377 A N 0.603 123.417 122.820 -0.011 0.000 1.933 377 A HA -0.128 4.191 4.320 -0.000 0.000 0.218 377 A C 2.401 179.998 177.584 0.021 0.000 1.175 377 A CA 1.740 53.831 52.037 0.089 0.000 0.628 377 A CB -1.171 17.972 19.000 0.238 0.000 0.814 377 A HN 0.434 nan 8.150 nan 0.000 0.444 378 G N -1.042 107.729 108.800 -0.048 0.000 2.422 378 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 378 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 378 G C 1.505 176.365 174.900 -0.067 0.000 1.146 378 G CA 1.253 46.319 45.100 -0.057 0.000 0.769 378 G HN 0.525 nan 8.290 nan 0.000 0.547 379 C N 0.179 119.433 119.300 -0.076 0.000 2.419 379 C HA 0.127 4.587 4.460 -0.000 0.000 0.281 379 C C 2.697 177.619 174.990 -0.113 0.000 1.336 379 C CA 0.333 59.304 59.018 -0.078 0.000 1.770 379 C CB -0.835 26.868 27.740 -0.062 0.000 1.929 379 C HN 0.466 nan 8.230 nan 0.000 0.509 380 I N -0.897 119.563 120.570 -0.183 0.000 2.512 380 I HA -0.042 4.128 4.170 -0.000 0.000 0.247 380 I C 2.225 178.104 176.117 -0.397 0.000 1.094 380 I CA 1.018 62.116 61.300 -0.338 0.000 1.427 380 I CB -0.550 37.117 38.000 -0.554 0.000 1.149 380 I HN 0.373 nan 8.210 nan 0.000 0.438 381 H N 0.870 119.893 119.070 -0.078 0.000 2.592 381 H HA 0.337 4.893 4.556 -0.000 0.000 0.265 381 H C 0.597 175.863 175.328 -0.104 0.000 0.955 381 H CA 0.865 56.840 56.048 -0.123 0.000 1.175 381 H CB 0.537 30.137 29.762 -0.269 0.000 1.433 381 H HN 0.363 nan 8.280 nan 0.000 0.537 382 G N 1.618 110.415 108.800 -0.005 0.000 3.367 382 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 382 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 382 G C 0.699 175.590 174.900 -0.014 0.000 1.146 382 G CA -0.176 44.915 45.100 -0.015 0.000 0.913 382 G HN 0.210 nan 8.290 nan 0.000 0.554 383 L N 0.748 121.953 121.223 -0.029 0.000 2.369 383 L HA 0.047 4.387 4.340 -0.000 0.000 0.220 383 L C 2.082 178.941 176.870 -0.018 0.000 1.119 383 L CA 2.644 57.462 54.840 -0.036 0.000 0.780 383 L CB -0.948 41.088 42.059 -0.038 0.000 0.906 383 L HN 1.336 nan 8.230 nan 0.000 0.442 384 S N -2.075 113.623 115.700 -0.004 0.000 2.624 384 S HA 0.353 4.823 4.470 -0.000 0.000 0.246 384 S C 0.564 175.178 174.600 0.024 0.000 1.072 384 S CA -0.599 57.608 58.200 0.012 0.000 1.045 384 S CB -0.561 62.644 63.200 0.008 0.000 0.851 384 S HN 0.551 nan 8.310 nan 0.000 0.480 385 N N 1.122 119.836 118.700 0.024 0.000 2.193 385 N HA 0.150 4.890 4.740 -0.000 0.000 0.236 385 N C -0.473 175.041 175.510 0.008 0.000 1.347 385 N CA 0.103 53.162 53.050 0.015 0.000 0.812 385 N CB 1.911 40.386 38.487 -0.020 0.000 1.297 385 N HN 0.476 nan 8.380 nan 0.000 0.499 386 V N -1.000 118.987 119.914 0.121 0.000 2.435 386 V HA 0.690 4.809 4.120 -0.000 0.000 0.290 386 V C -0.341 176.097 176.094 0.573 0.000 1.030 386 V CA -0.651 61.864 62.300 0.358 0.000 0.881 386 V CB 1.824 33.833 31.823 0.311 0.000 0.983 386 V HN -0.173 nan 8.190 nan 0.000 0.445 387 K N 3.786 124.546 120.400 0.599 0.000 2.259 387 K HA 0.676 4.995 4.320 -0.000 0.000 0.252 387 K C -0.710 175.708 176.600 -0.303 0.000 0.936 387 K CA -0.853 55.558 56.287 0.206 0.000 0.810 387 K CB 1.771 34.295 32.500 0.039 0.000 1.143 387 K HN 0.832 nan 8.250 nan 0.000 0.427 388 L N 3.478 124.357 121.223 -0.573 0.000 2.559 388 L HA 0.010 4.350 4.340 -0.000 0.000 0.282 388 L C 0.226 176.740 176.870 -0.593 0.000 1.232 388 L CA 1.169 55.373 54.840 -1.061 0.000 0.885 388 L CB -0.264 41.509 42.059 -0.476 0.000 1.131 388 L HN 0.786 nan 8.230 nan 0.000 0.498 389 N N 1.756 120.119 118.700 -0.561 0.000 2.857 389 N HA -0.278 4.462 4.740 -0.000 0.000 0.242 389 N C 0.899 176.251 175.510 -0.263 0.000 0.983 389 N CA 1.635 54.510 53.050 -0.292 0.000 0.934 389 N CB -0.658 37.711 38.487 -0.198 0.000 1.115 389 N HN 0.921 nan 8.380 nan 0.000 0.593 390 E N -0.797 119.189 120.200 -0.358 0.000 2.207 390 E HA 0.062 4.412 4.350 -0.000 0.000 0.197 390 E C 1.076 177.406 176.600 -0.449 0.000 0.914 390 E CA 0.047 56.196 56.400 -0.419 0.000 0.914 390 E CB 0.296 29.677 29.700 -0.533 0.000 0.893 390 E HN 0.402 nan 8.360 nan 0.000 0.479 391 H N -1.353 117.685 119.070 -0.053 0.000 2.855 391 H HA 0.181 4.737 4.556 -0.000 0.000 0.259 391 H C 0.003 175.486 175.328 0.258 0.000 0.972 391 H CA 0.455 56.570 56.048 0.112 0.000 1.213 391 H CB 0.754 30.630 29.762 0.189 0.000 1.451 391 H HN 0.101 nan 8.280 nan 0.000 0.484 392 F N -0.546 119.479 119.950 0.125 0.000 2.715 392 F HA 0.672 5.199 4.527 -0.000 0.000 0.318 392 F C -1.761 174.076 175.800 0.062 0.000 1.141 392 F CA -1.464 56.587 58.000 0.084 0.000 0.950 392 F CB 1.246 40.284 39.000 0.063 0.000 1.374 392 F HN -0.318 nan 8.300 nan 0.000 0.477 393 L N 1.587 122.934 121.223 0.207 0.000 2.333 393 L HA 0.492 4.831 4.340 -0.000 0.000 0.263 393 L C -0.457 176.559 176.870 0.243 0.000 1.014 393 L CA -1.200 53.712 54.840 0.120 0.000 0.820 393 L CB 1.879 44.051 42.059 0.188 0.000 1.352 393 L HN 0.600 nan 8.230 nan 0.000 0.421 394 N N -0.059 118.745 118.700 0.172 0.000 2.399 394 N HA 0.117 4.857 4.740 -0.000 0.000 0.250 394 N C 0.857 176.503 175.510 0.227 0.000 1.272 394 N CA -0.056 53.113 53.050 0.198 0.000 0.928 394 N CB 1.174 39.744 38.487 0.137 0.000 1.158 394 N HN 0.600 nan 8.380 nan 0.000 0.463 395 T N 0.316 115.016 114.554 0.244 0.000 2.597 395 T HA -0.208 4.141 4.350 -0.000 0.000 0.267 395 T C 1.953 176.815 174.700 0.271 0.000 1.053 395 T CA 1.933 64.220 62.100 0.312 0.000 1.165 395 T CB -0.349 68.743 68.868 0.374 0.000 0.863 395 T HN 0.555 nan 8.240 nan 0.000 0.427 396 S N 0.658 116.438 115.700 0.132 0.000 2.370 396 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 396 S C 1.792 176.394 174.600 0.004 0.000 1.033 396 S CA 1.551 59.712 58.200 -0.065 0.000 1.011 396 S CB -0.619 62.457 63.200 -0.205 0.000 0.852 396 S HN 0.411 nan 8.310 nan 0.000 0.457 397 D N 0.070 120.509 120.400 0.065 0.000 2.144 397 D HA -0.057 4.582 4.640 -0.000 0.000 0.200 397 D C 1.574 177.945 176.300 0.118 0.000 0.978 397 D CA 0.795 54.834 54.000 0.065 0.000 0.833 397 D CB -0.459 40.381 40.800 0.067 0.000 0.961 397 D HN 0.496 nan 8.370 nan 0.000 0.470 398 F N 1.657 121.637 119.950 0.051 0.000 2.134 398 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 398 F C 2.129 177.963 175.800 0.057 0.000 1.097 398 F CA 1.016 59.058 58.000 0.070 0.000 1.264 398 F CB -0.402 38.663 39.000 0.108 0.000 1.001 398 F HN -0.142 nan 8.300 nan 0.000 0.479 399 L N -0.163 121.059 121.223 -0.001 0.000 2.131 399 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 399 L C 2.107 178.898 176.870 -0.132 0.000 1.092 399 L CA 1.298 56.075 54.840 -0.106 0.000 0.759 399 L CB -0.797 41.280 42.059 0.029 0.000 0.903 399 L HN 0.086 nan 8.230 nan 0.000 0.435 400 D N -0.668 119.681 120.400 -0.086 0.000 2.144 400 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 400 D C 2.143 178.390 176.300 -0.089 0.000 0.978 400 D CA 1.497 55.452 54.000 -0.074 0.000 0.833 400 D CB -0.059 40.709 40.800 -0.052 0.000 0.961 400 D HN 0.270 nan 8.370 nan 0.000 0.470 401 T N 1.204 115.687 114.554 -0.118 0.000 2.777 401 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 401 T C 2.255 176.852 174.700 -0.172 0.000 1.040 401 T CA 0.452 62.480 62.100 -0.120 0.000 1.141 401 T CB -0.085 68.722 68.868 -0.101 0.000 0.868 401 T HN 0.151 nan 8.240 nan 0.000 0.444 402 I N 0.912 121.305 120.570 -0.295 0.000 2.179 402 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 402 I C 2.599 178.625 176.117 -0.151 0.000 1.088 402 I CA 1.180 62.320 61.300 -0.266 0.000 1.357 402 I CB -0.308 37.480 38.000 -0.353 0.000 1.051 402 I HN 0.136 nan 8.210 nan 0.000 0.409 403 K N 1.062 121.394 120.400 -0.114 0.000 2.032 403 K HA -0.200 4.119 4.320 -0.000 0.000 0.209 403 K C 2.275 178.862 176.600 -0.022 0.000 1.048 403 K CA 2.100 58.362 56.287 -0.041 0.000 0.927 403 K CB -0.588 31.902 32.500 -0.015 0.000 0.712 403 K HN 0.144 nan 8.250 nan 0.000 0.441 404 S N 0.001 115.678 115.700 -0.039 0.000 2.356 404 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 404 S C 1.724 176.307 174.600 -0.028 0.000 1.032 404 S CA 1.808 59.993 58.200 -0.024 0.000 1.005 404 S CB -0.504 62.678 63.200 -0.030 0.000 0.867 404 S HN 0.560 nan 8.310 nan 0.000 0.449 405 N N 0.494 119.164 118.700 -0.050 0.000 2.166 405 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 405 N C 1.715 177.190 175.510 -0.058 0.000 1.019 405 N CA 1.198 54.218 53.050 -0.050 0.000 0.856 405 N CB -0.239 38.211 38.487 -0.062 0.000 0.993 405 N HN 0.291 nan 8.380 nan 0.000 0.426 406 L N 1.716 122.891 121.223 -0.080 0.000 2.017 406 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 406 L C 1.394 178.229 176.870 -0.059 0.000 1.073 406 L CA 1.876 56.648 54.840 -0.115 0.000 0.745 406 L CB -0.581 41.373 42.059 -0.175 0.000 0.894 406 L HN 0.067 nan 8.230 nan 0.000 0.432 407 D N -0.465 119.941 120.400 0.011 0.000 2.104 407 D HA -0.244 4.396 4.640 -0.000 0.000 0.194 407 D C 2.260 178.580 176.300 0.033 0.000 0.994 407 D CA 1.495 55.541 54.000 0.075 0.000 0.830 407 D CB -0.232 40.624 40.800 0.094 0.000 0.959 407 D HN 0.379 nan 8.370 nan 0.000 0.452 408 R N 0.735 121.240 120.500 0.008 0.000 2.083 408 R HA -0.138 4.201 4.340 -0.000 0.000 0.237 408 R C 2.142 178.439 176.300 -0.005 0.000 1.137 408 R CA 1.620 57.720 56.100 0.001 0.000 0.951 408 R CB -0.160 30.136 30.300 -0.007 0.000 0.851 408 R HN 0.121 nan 8.270 nan 0.000 0.434 409 A N 1.021 123.828 122.820 -0.021 0.000 1.873 409 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 409 A C 2.216 179.788 177.584 -0.020 0.000 1.186 409 A CA 1.196 53.215 52.037 -0.030 0.000 0.616 409 A CB -0.540 18.425 19.000 -0.058 0.000 0.823 409 A HN 0.354 nan 8.150 nan 0.000 0.442 410 L N -0.618 120.598 121.223 -0.012 0.000 2.131 410 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 410 L C 2.733 179.621 176.870 0.029 0.000 1.092 410 L CA 0.899 55.750 54.840 0.018 0.000 0.759 410 L CB -0.709 41.386 42.059 0.059 0.000 0.903 410 L HN 0.505 nan 8.230 nan 0.000 0.435 411 G N -0.328 108.487 108.800 0.025 0.000 2.408 411 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.217 411 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.217 411 G C 1.651 176.559 174.900 0.012 0.000 1.150 411 G CA 0.073 45.186 45.100 0.022 0.000 0.776 411 G HN 0.162 nan 8.290 nan 0.000 0.542 412 R N 0.559 121.062 120.500 0.006 0.000 2.237 412 R HA 0.071 4.411 4.340 -0.000 0.000 0.219 412 R C 1.374 177.675 176.300 0.002 0.000 1.080 412 R CA 0.362 56.463 56.100 0.002 0.000 0.995 412 R CB -0.385 29.914 30.300 -0.003 0.000 0.875 412 R HN 0.539 nan 8.270 nan 0.000 0.462 413 Q N 0.000 119.803 119.800 0.005 0.000 2.315 413 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 413 Q CA 0.000 55.806 55.803 0.006 0.000 1.022 413 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 413 Q HN 0.000 nan 8.270 nan 0.000 0.481