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 2v5x_1_A DATA FIRST_RESID 14 DATA SEQUENCE LVPVYIYSPE YVSMCDSLAK IPKRADMVHS LIEAYALHKQ MRIVKPKVAS DATA SEQUENCE MEEMATFHTD AYLQHLQKVS QEGDDDHPDS IEYGLGYDCP ATEGIFDYAA DATA SEQUENCE AIGGATITAA QCLIDGMCKV AINWSGGWHH AKKDEASGFC YLNDAVLGIL DATA SEQUENCE RLRRKFERIL YVDLDLHHGD GVEDAFSFTS KVMTVSLHKF SPGFFPGTGD DATA SEQUENCE VSDVGLGKGR YYSVNVPIQD GIQDEKYYQI CESVLKEVYQ AFNPKAVVLQ DATA SEQUENCE LGADTIAGDP MCSFNMTPVG IGKCLKYILQ WQLATLILGG GGYNLANTAR DATA SEQUENCE CWTYLTGVIL GKTLSSEIPD HEFFTAYGPD YVLEITPSCR PDRNEPHRIQ DATA SEQUENCE QILNYIKGNL KHV 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 14 L HA 0.000 nan 4.340 nan 0.000 0.249 14 L C 0.000 176.877 176.870 0.011 0.000 1.165 14 L CA 0.000 54.847 54.840 0.011 0.000 0.813 14 L CB 0.000 42.068 42.059 0.015 0.000 0.961 15 V N -1.671 118.248 119.914 0.008 0.000 3.362 15 V HA 0.004 4.124 4.120 0.001 0.000 0.483 15 V C -2.928 173.175 176.094 0.016 0.000 0.682 15 V CA -0.706 61.599 62.300 0.009 0.000 2.028 15 V CB -1.384 30.445 31.823 0.010 0.000 2.476 15 V HN 0.227 nan 8.190 nan 0.000 0.502 16 P HA 0.613 nan 4.420 nan 0.000 0.284 16 P C -0.296 177.037 177.300 0.055 0.000 1.253 16 P CA -0.266 62.848 63.100 0.022 0.000 0.800 16 P CB 1.466 33.174 31.700 0.013 0.000 0.961 17 V N 4.027 123.970 119.914 0.048 0.000 2.614 17 V HA 0.072 4.193 4.120 0.001 0.000 0.291 17 V C -0.278 175.891 176.094 0.125 0.000 1.049 17 V CA 0.067 62.410 62.300 0.073 0.000 1.038 17 V CB -0.177 31.662 31.823 0.026 0.000 0.980 17 V HN 0.487 nan 8.190 nan 0.000 0.481 18 Y N 5.613 125.929 120.300 0.026 0.000 2.338 18 Y HA 0.511 5.061 4.550 0.000 0.000 0.328 18 Y C -0.111 175.841 175.900 0.086 0.000 0.965 18 Y CA -1.161 56.971 58.100 0.054 0.000 1.208 18 Y CB 0.930 39.463 38.460 0.123 0.000 1.132 18 Y HN 0.430 nan 8.280 nan 0.000 0.469 19 I N 7.591 128.006 120.570 -0.258 0.000 2.416 19 I HA 0.122 4.292 4.170 0.001 0.000 0.288 19 I C -0.797 175.123 176.117 -0.328 0.000 1.051 19 I CA -0.021 61.120 61.300 -0.265 0.000 1.375 19 I CB 0.026 37.866 38.000 -0.267 0.000 1.407 19 I HN 0.721 nan 8.210 nan 0.000 0.516 20 Y N 5.745 125.838 120.300 -0.344 0.000 2.457 20 Y HA 0.415 4.965 4.550 0.000 0.000 0.322 20 Y C -1.088 174.755 175.900 -0.096 0.000 1.218 20 Y CA -1.003 56.952 58.100 -0.243 0.000 1.116 20 Y CB 1.186 39.392 38.460 -0.422 0.000 1.335 20 Y HN 0.652 nan 8.280 nan 0.000 0.452 21 S N 5.005 119.990 115.700 -1.192 0.000 2.570 21 S HA 0.599 5.070 4.470 0.001 0.000 0.270 21 S C -2.933 171.050 174.600 -1.030 0.000 1.149 21 S CA -1.360 56.148 58.200 -1.154 0.000 0.837 21 S CB 2.599 65.553 63.200 -0.410 0.000 1.124 21 S HN 0.315 nan 8.310 nan 0.000 0.465 22 P HA -0.055 nan 4.420 nan 0.000 0.216 22 P C 0.879 178.150 177.300 -0.047 0.000 1.150 22 P CA 1.410 64.448 63.100 -0.103 0.000 0.837 22 P CB 0.008 31.731 31.700 0.038 0.000 0.786 23 E N -1.260 118.902 120.200 -0.063 0.000 2.047 23 E HA -0.178 4.172 4.350 0.001 0.000 0.191 23 E C 2.116 178.736 176.600 0.033 0.000 0.987 23 E CA 0.949 57.347 56.400 -0.004 0.000 0.799 23 E CB -1.305 28.392 29.700 -0.005 0.000 0.752 23 E HN 0.323 nan 8.360 nan 0.000 0.449 24 Y N 0.805 121.024 120.300 -0.136 0.000 2.081 24 Y HA -0.328 4.223 4.550 0.000 0.000 0.280 24 Y C 2.157 178.040 175.900 -0.028 0.000 1.163 24 Y CA 1.415 59.452 58.100 -0.104 0.000 1.135 24 Y CB -0.191 38.169 38.460 -0.166 0.000 0.970 24 Y HN -0.116 nan 8.280 nan 0.000 0.498 25 V N -0.225 119.636 119.914 -0.089 0.000 2.332 25 V HA -0.355 3.765 4.120 0.001 0.000 0.248 25 V C 2.321 178.410 176.094 -0.009 0.000 1.055 25 V CA 2.191 64.457 62.300 -0.056 0.000 1.038 25 V CB -0.835 31.080 31.823 0.154 0.000 0.651 25 V HN 0.483 nan 8.190 nan 0.000 0.450 26 S N -0.450 115.268 115.700 0.031 0.000 2.368 26 S HA -0.286 4.185 4.470 0.001 0.000 0.225 26 S C 1.896 176.521 174.600 0.041 0.000 1.030 26 S CA 2.062 60.294 58.200 0.053 0.000 0.999 26 S CB -0.473 62.761 63.200 0.056 0.000 0.844 26 S HN 0.503 nan 8.310 nan 0.000 0.459 27 M N 1.845 121.458 119.600 0.022 0.000 2.073 27 M HA -0.118 4.363 4.480 0.001 0.000 0.258 27 M C 2.025 178.388 176.300 0.106 0.000 1.070 27 M CA 1.528 56.860 55.300 0.053 0.000 1.103 27 M CB -1.113 31.509 32.600 0.037 0.000 1.321 27 M HN 0.374 nan 8.290 nan 0.000 0.405 28 C N 0.537 119.821 119.300 -0.027 0.000 2.437 28 C HA -0.064 4.396 4.460 0.001 0.000 0.283 28 C C 1.967 177.048 174.990 0.152 0.000 1.424 28 C CA 0.599 59.648 59.018 0.052 0.000 1.782 28 C CB -1.546 26.084 27.740 -0.184 0.000 1.833 28 C HN 0.542 nan 8.230 nan 0.000 0.532 29 D N 0.953 121.408 120.400 0.092 0.000 2.312 29 D HA -0.041 4.600 4.640 0.001 0.000 0.211 29 D C 2.114 178.448 176.300 0.057 0.000 0.964 29 D CA 0.836 54.888 54.000 0.086 0.000 0.877 29 D CB -0.127 40.724 40.800 0.086 0.000 0.924 29 D HN 0.452 nan 8.370 nan 0.000 0.515 30 S N 0.492 116.218 115.700 0.042 0.000 2.406 30 S HA -0.086 4.385 4.470 0.001 0.000 0.228 30 S C 0.976 175.505 174.600 -0.117 0.000 1.020 30 S CA -0.220 57.957 58.200 -0.038 0.000 0.965 30 S CB -0.035 63.123 63.200 -0.070 0.000 0.798 30 S HN 0.208 nan 8.310 nan 0.000 0.488 31 L N 2.936 124.067 121.223 -0.152 0.000 2.660 31 L HA 0.193 4.533 4.340 0.001 0.000 0.272 31 L C 1.214 178.003 176.870 -0.134 0.000 1.194 31 L CA -0.398 54.300 54.840 -0.236 0.000 0.945 31 L CB -0.342 41.600 42.059 -0.194 0.000 1.212 31 L HN 0.125 nan 8.230 nan 0.000 0.490 32 A N 5.349 128.072 122.820 -0.163 0.000 2.019 32 A HA -0.109 4.211 4.320 0.001 0.000 0.219 32 A C 1.930 179.428 177.584 -0.144 0.000 1.164 32 A CA 1.257 53.216 52.037 -0.130 0.000 0.644 32 A CB -0.419 18.502 19.000 -0.131 0.000 0.805 32 A HN 0.802 nan 8.150 nan 0.000 0.449 33 K N -0.248 120.020 120.400 -0.219 0.000 2.283 33 K HA -0.005 4.315 4.320 0.001 0.000 0.202 33 K C 0.709 177.319 176.600 0.016 0.000 1.048 33 K CA 1.181 57.317 56.287 -0.251 0.000 0.948 33 K CB -0.357 31.787 32.500 -0.592 0.000 0.742 33 K HN 0.823 nan 8.250 nan 0.000 0.458 34 I N -1.278 119.323 120.570 0.052 0.000 2.884 34 I HA 0.243 4.413 4.170 0.001 0.000 0.317 34 I C -2.840 173.319 176.117 0.071 0.000 1.498 34 I CA -2.003 59.372 61.300 0.124 0.000 0.796 34 I CB 1.572 39.716 38.000 0.239 0.000 2.162 34 I HN -0.286 nan 8.210 nan 0.000 0.603 35 P HA 0.096 nan 4.420 nan 0.000 0.267 35 P C -0.097 177.212 177.300 0.016 0.000 1.205 35 P CA 0.463 63.574 63.100 0.018 0.000 0.765 35 P CB 0.972 32.674 31.700 0.003 0.000 0.828 36 K N 0.350 120.770 120.400 0.033 0.000 3.426 36 K HA -0.260 4.060 4.320 0.001 0.000 0.315 36 K C 1.529 178.099 176.600 -0.050 0.000 1.293 36 K CA 1.224 57.521 56.287 0.016 0.000 0.955 36 K CB -1.411 31.099 32.500 0.016 0.000 1.238 36 K HN 0.412 nan 8.250 nan 0.000 0.441 37 R N 1.096 121.597 120.500 0.002 0.000 2.081 37 R HA -0.111 4.229 4.340 0.001 0.000 0.235 37 R C 2.310 178.656 176.300 0.077 0.000 1.131 37 R CA 1.660 57.761 56.100 0.001 0.000 0.960 37 R CB -0.191 30.144 30.300 0.058 0.000 0.856 37 R HN 0.393 nan 8.270 nan 0.000 0.436 38 A N 0.994 123.902 122.820 0.146 0.000 1.883 38 A HA -0.227 4.093 4.320 0.001 0.000 0.217 38 A C 1.866 179.581 177.584 0.219 0.000 1.186 38 A CA 1.917 54.075 52.037 0.202 0.000 0.624 38 A CB -0.720 18.363 19.000 0.137 0.000 0.822 38 A HN 0.423 nan 8.150 nan 0.000 0.444 39 D N -0.511 119.992 120.400 0.171 0.000 2.123 39 D HA -0.147 4.493 4.640 0.001 0.000 0.196 39 D C 2.039 178.439 176.300 0.166 0.000 0.992 39 D CA 1.566 55.716 54.000 0.251 0.000 0.833 39 D CB -0.249 40.723 40.800 0.287 0.000 0.954 39 D HN 0.487 nan 8.370 nan 0.000 0.455 40 M N -0.607 118.882 119.600 -0.184 0.000 2.117 40 M HA -0.138 4.342 4.480 0.001 0.000 0.262 40 M C 2.327 178.679 176.300 0.087 0.000 1.065 40 M CA 0.737 55.868 55.300 -0.282 0.000 1.114 40 M CB -0.044 32.286 32.600 -0.450 0.000 1.361 40 M HN -0.075 nan 8.290 nan 0.000 0.408 41 V N -0.485 119.504 119.914 0.125 0.000 2.261 41 V HA -0.304 3.816 4.120 0.001 0.000 0.246 41 V C 2.324 178.565 176.094 0.244 0.000 1.047 41 V CA 2.430 64.842 62.300 0.187 0.000 1.015 41 V CB -0.932 31.065 31.823 0.289 0.000 0.642 41 V HN 0.489 nan 8.190 nan 0.000 0.446 42 H N 0.200 119.410 119.070 0.233 0.000 2.387 42 H HA -0.103 4.454 4.556 0.000 0.000 0.299 42 H C 2.331 177.736 175.328 0.128 0.000 1.090 42 H CA 1.912 58.092 56.048 0.220 0.000 1.332 42 H CB -0.109 29.787 29.762 0.222 0.000 1.386 42 H HN 0.361 nan 8.280 nan 0.000 0.516 43 S N -0.295 115.460 115.700 0.091 0.000 2.406 43 S HA -0.065 4.405 4.470 0.001 0.000 0.228 43 S C 2.028 176.611 174.600 -0.029 0.000 1.020 43 S CA 0.914 59.170 58.200 0.094 0.000 0.965 43 S CB -0.251 63.280 63.200 0.552 0.000 0.798 43 S HN 0.338 nan 8.310 nan 0.000 0.488 44 L N 1.714 122.928 121.223 -0.014 0.000 2.044 44 L HA 0.124 4.465 4.340 0.001 0.000 0.205 44 L C 1.906 178.750 176.870 -0.043 0.000 1.075 44 L CA 1.412 56.156 54.840 -0.161 0.000 0.747 44 L CB -0.481 41.558 42.059 -0.034 0.000 0.903 44 L HN 0.242 nan 8.230 nan 0.000 0.435 45 I N -0.381 120.166 120.570 -0.038 0.000 2.208 45 I HA -0.341 3.829 4.170 0.001 0.000 0.245 45 I C 2.536 178.591 176.117 -0.103 0.000 1.097 45 I CA 1.782 63.055 61.300 -0.045 0.000 1.363 45 I CB -0.295 37.669 38.000 -0.060 0.000 1.051 45 I HN 0.445 nan 8.210 nan 0.000 0.413 46 E N 1.103 121.101 120.200 -0.337 0.000 2.051 46 E HA -0.261 4.089 4.350 0.001 0.000 0.192 46 E C 2.251 178.779 176.600 -0.121 0.000 0.991 46 E CA 1.386 57.494 56.400 -0.487 0.000 0.799 46 E CB -0.075 29.164 29.700 -0.768 0.000 0.748 46 E HN 0.493 nan 8.360 nan 0.000 0.449 47 A N -0.091 122.636 122.820 -0.156 0.000 1.972 47 A HA -0.149 4.171 4.320 0.001 0.000 0.219 47 A C 1.497 178.971 177.584 -0.183 0.000 1.169 47 A CA 1.070 52.998 52.037 -0.181 0.000 0.635 47 A CB -0.641 18.127 19.000 -0.386 0.000 0.810 47 A HN 0.442 nan 8.150 nan 0.000 0.446 48 Y N -1.013 119.225 120.300 -0.103 0.000 2.471 48 Y HA 0.346 4.897 4.550 0.001 0.000 0.286 48 Y C 1.565 177.452 175.900 -0.023 0.000 1.188 48 Y CA 0.131 58.192 58.100 -0.064 0.000 1.286 48 Y CB -0.280 38.135 38.460 -0.076 0.000 1.072 48 Y HN 0.478 nan 8.280 nan 0.000 0.517 49 A N -0.264 122.642 122.820 0.144 0.000 2.799 49 A HA -0.266 4.054 4.320 0.001 0.000 0.287 49 A C 1.235 178.870 177.584 0.085 0.000 1.484 49 A CA 1.197 53.317 52.037 0.137 0.000 0.813 49 A CB -2.072 16.943 19.000 0.026 0.000 1.009 49 A HN 0.594 nan 8.150 nan 0.000 0.545 50 L N -1.474 119.830 121.223 0.135 0.000 2.240 50 L HA -0.114 4.226 4.340 0.001 0.000 0.211 50 L C 2.350 179.214 176.870 -0.010 0.000 1.106 50 L CA 1.557 56.410 54.840 0.023 0.000 0.793 50 L CB -0.728 41.319 42.059 -0.020 0.000 0.927 50 L HN 0.938 nan 8.230 nan 0.000 0.446 51 H N -0.718 118.256 119.070 -0.160 0.000 2.489 51 H HA -0.125 4.431 4.556 0.001 0.000 0.295 51 H C 1.915 177.228 175.328 -0.024 0.000 1.082 51 H CA 0.841 56.810 56.048 -0.133 0.000 1.295 51 H CB -0.208 29.516 29.762 -0.063 0.000 1.380 51 H HN 0.207 nan 8.280 nan 0.000 0.548 52 K N 0.437 120.617 120.400 -0.366 0.000 2.288 52 K HA -0.061 4.259 4.320 0.001 0.000 0.201 52 K C 1.348 177.881 176.600 -0.113 0.000 1.048 52 K CA 1.020 57.136 56.287 -0.285 0.000 0.956 52 K CB 0.161 32.479 32.500 -0.303 0.000 0.746 52 K HN 0.567 nan 8.250 nan 0.000 0.461 53 Q N -0.225 119.528 119.800 -0.078 0.000 2.246 53 Q HA 0.221 4.561 4.340 0.001 0.000 0.202 53 Q C 0.040 176.032 176.000 -0.014 0.000 0.883 53 Q CA 0.043 55.822 55.803 -0.040 0.000 0.952 53 Q CB 0.479 29.194 28.738 -0.039 0.000 1.078 53 Q HN 0.177 nan 8.270 nan 0.000 0.493 54 M N -0.188 119.416 119.600 0.006 0.000 2.658 54 M HA 0.401 4.881 4.480 0.001 0.000 0.295 54 M C -0.653 175.701 176.300 0.091 0.000 1.248 54 M CA -0.872 54.459 55.300 0.051 0.000 0.843 54 M CB 2.555 35.194 32.600 0.065 0.000 1.749 54 M HN -0.147 nan 8.290 nan 0.000 0.464 55 R N 1.933 122.496 120.500 0.105 0.000 2.296 55 R HA 0.465 4.806 4.340 0.001 0.000 0.327 55 R C -1.126 175.273 176.300 0.164 0.000 1.137 55 R CA -0.250 55.916 56.100 0.110 0.000 1.020 55 R CB -0.103 30.240 30.300 0.072 0.000 1.110 55 R HN 0.617 nan 8.270 nan 0.000 0.499 56 I N 4.882 125.578 120.570 0.210 0.000 2.662 56 I HA 0.009 4.179 4.170 0.001 0.000 0.285 56 I C -0.316 175.889 176.117 0.146 0.000 1.161 56 I CA 0.052 61.510 61.300 0.264 0.000 1.415 56 I CB 0.879 39.084 38.000 0.341 0.000 1.385 56 I HN 0.281 nan 8.210 nan 0.000 0.552 57 V N 7.206 127.173 119.914 0.088 0.000 2.483 57 V HA 0.234 4.354 4.120 0.001 0.000 0.297 57 V C 0.273 176.331 176.094 -0.060 0.000 1.027 57 V CA -1.039 61.266 62.300 0.009 0.000 0.855 57 V CB 1.685 33.499 31.823 -0.016 0.000 0.995 57 V HN 0.613 nan 8.190 nan 0.000 0.424 58 K N 6.399 126.756 120.400 -0.072 0.000 2.451 58 K HA 0.219 4.539 4.320 0.001 0.000 0.280 58 K C -2.264 174.231 176.600 -0.175 0.000 1.020 58 K CA -1.073 55.132 56.287 -0.137 0.000 1.008 58 K CB 1.046 33.488 32.500 -0.097 0.000 0.917 58 K HN 0.411 nan 8.250 nan 0.000 0.478 59 P HA 0.096 nan 4.420 nan 0.000 0.280 59 P C -1.297 175.884 177.300 -0.198 0.000 1.244 59 P CA -0.457 62.461 63.100 -0.304 0.000 0.784 59 P CB 0.616 31.960 31.700 -0.594 0.000 0.913 60 K N 1.884 122.199 120.400 -0.141 0.000 2.350 60 K HA 0.293 4.613 4.320 0.001 0.000 0.279 60 K C -0.271 176.274 176.600 -0.091 0.000 1.027 60 K CA -0.709 55.523 56.287 -0.091 0.000 0.969 60 K CB 0.075 32.538 32.500 -0.060 0.000 0.954 60 K HN 0.089 nan 8.250 nan 0.000 0.474 61 V N 2.572 122.449 119.914 -0.062 0.000 2.655 61 V HA 0.183 4.303 4.120 0.001 0.000 0.300 61 V C 0.596 176.667 176.094 -0.038 0.000 1.044 61 V CA -0.199 62.072 62.300 -0.050 0.000 1.095 61 V CB 0.625 32.431 31.823 -0.029 0.000 0.952 61 V HN 0.975 nan 8.190 nan 0.000 0.485 62 A N 4.566 127.360 122.820 -0.042 0.000 2.440 62 A HA 0.508 4.829 4.320 0.001 0.000 0.251 62 A C 0.714 178.298 177.584 -0.000 0.000 1.089 62 A CA 0.051 52.078 52.037 -0.017 0.000 0.779 62 A CB 0.154 19.148 19.000 -0.009 0.000 1.022 62 A HN 1.130 nan 8.150 nan 0.000 0.492 63 S N 2.559 118.274 115.700 0.024 0.000 2.603 63 S HA 0.278 4.749 4.470 0.001 0.000 0.268 63 S C 1.100 175.743 174.600 0.073 0.000 1.317 63 S CA 0.107 58.335 58.200 0.047 0.000 1.012 63 S CB 0.518 63.742 63.200 0.041 0.000 0.926 63 S HN 0.721 nan 8.310 nan 0.000 0.539 64 M N 1.778 121.438 119.600 0.100 0.000 2.089 64 M HA -0.170 4.310 4.480 0.001 0.000 0.257 64 M C 2.132 178.496 176.300 0.105 0.000 1.071 64 M CA 2.033 57.409 55.300 0.126 0.000 1.096 64 M CB -0.839 31.831 32.600 0.117 0.000 1.330 64 M HN 0.885 nan 8.290 nan 0.000 0.403 65 E N -0.900 119.348 120.200 0.080 0.000 2.150 65 E HA -0.208 4.142 4.350 0.001 0.000 0.193 65 E C 1.838 178.485 176.600 0.078 0.000 0.985 65 E CA 1.500 57.943 56.400 0.071 0.000 0.814 65 E CB -0.802 28.930 29.700 0.053 0.000 0.752 65 E HN 0.667 nan 8.360 nan 0.000 0.466 66 E N 0.710 120.955 120.200 0.075 0.000 2.047 66 E HA -0.070 4.280 4.350 0.001 0.000 0.191 66 E C 2.264 178.930 176.600 0.110 0.000 0.987 66 E CA 1.387 57.833 56.400 0.077 0.000 0.799 66 E CB -0.115 29.620 29.700 0.057 0.000 0.752 66 E HN 0.214 nan 8.360 nan 0.000 0.449 67 M N 0.052 119.730 119.600 0.130 0.000 2.159 67 M HA -0.134 4.346 4.480 0.001 0.000 0.263 67 M C 2.331 178.765 176.300 0.224 0.000 1.063 67 M CA 1.286 56.709 55.300 0.205 0.000 1.110 67 M CB -0.139 32.585 32.600 0.207 0.000 1.374 67 M HN 0.103 nan 8.290 nan 0.000 0.411 68 A N -0.798 122.121 122.820 0.165 0.000 2.172 68 A HA -0.104 4.216 4.320 0.001 0.000 0.216 68 A C 2.093 179.741 177.584 0.107 0.000 1.154 68 A CA 1.610 53.728 52.037 0.135 0.000 0.701 68 A CB -0.937 18.125 19.000 0.102 0.000 0.789 68 A HN 0.431 nan 8.150 nan 0.000 0.465 69 T N -2.013 112.612 114.554 0.118 0.000 2.929 69 T HA -0.082 4.268 4.350 0.001 0.000 0.271 69 T C 1.150 175.944 174.700 0.157 0.000 1.085 69 T CA 1.811 63.979 62.100 0.114 0.000 1.125 69 T CB -0.316 68.615 68.868 0.106 0.000 0.874 69 T HN 0.566 nan 8.240 nan 0.000 0.494 70 F N -0.288 119.622 119.950 -0.067 0.000 2.496 70 F HA 0.367 4.895 4.527 0.000 0.000 0.274 70 F C 0.593 176.286 175.800 -0.178 0.000 0.924 70 F CA -0.485 57.401 58.000 -0.191 0.000 1.147 70 F CB 0.296 39.082 39.000 -0.357 0.000 0.969 70 F HN 0.029 nan 8.300 nan 0.000 0.749 71 H N 1.811 120.820 119.070 -0.101 0.000 2.582 71 H HA 0.267 4.824 4.556 0.000 0.000 0.345 71 H C 0.418 175.712 175.328 -0.057 0.000 1.104 71 H CA 0.446 56.391 56.048 -0.171 0.000 1.390 71 H CB 0.870 30.696 29.762 0.107 0.000 1.461 71 H HN 0.131 nan 8.280 nan 0.000 0.551 72 T N -0.324 114.272 114.554 0.070 0.000 2.900 72 T HA -0.015 4.336 4.350 0.001 0.000 0.307 72 T C 1.118 175.894 174.700 0.128 0.000 1.065 72 T CA -0.694 61.451 62.100 0.075 0.000 1.105 72 T CB 0.909 69.817 68.868 0.068 0.000 0.979 72 T HN 0.452 nan 8.240 nan 0.000 0.544 73 D N 1.428 121.879 120.400 0.085 0.000 2.178 73 D HA -0.079 4.561 4.640 0.001 0.000 0.202 73 D C 2.267 178.593 176.300 0.043 0.000 0.974 73 D CA 1.346 55.386 54.000 0.067 0.000 0.841 73 D CB -0.227 40.602 40.800 0.047 0.000 0.953 73 D HN 0.777 nan 8.370 nan 0.000 0.478 74 A N 0.559 123.416 122.820 0.062 0.000 1.902 74 A HA -0.219 4.101 4.320 0.001 0.000 0.217 74 A C 2.114 179.638 177.584 -0.101 0.000 1.181 74 A CA 1.070 53.136 52.037 0.048 0.000 0.623 74 A CB -0.887 18.206 19.000 0.155 0.000 0.818 74 A HN 0.305 nan 8.150 nan 0.000 0.443 75 Y N 0.584 120.760 120.300 -0.207 0.000 2.163 75 Y HA -0.123 4.428 4.550 0.001 0.000 0.288 75 Y C 1.935 177.698 175.900 -0.227 0.000 1.136 75 Y CA 1.695 59.549 58.100 -0.411 0.000 1.147 75 Y CB -0.346 38.017 38.460 -0.161 0.000 0.987 75 Y HN 0.209 nan 8.280 nan 0.000 0.509 76 L N -0.213 120.933 121.223 -0.128 0.000 2.017 76 L HA -0.270 4.070 4.340 0.001 0.000 0.208 76 L C 2.544 179.291 176.870 -0.205 0.000 1.073 76 L CA 1.801 56.585 54.840 -0.094 0.000 0.745 76 L CB -0.764 41.374 42.059 0.131 0.000 0.894 76 L HN 0.235 nan 8.230 nan 0.000 0.432 77 Q N -0.908 118.782 119.800 -0.185 0.000 2.061 77 Q HA -0.289 4.052 4.340 0.001 0.000 0.204 77 Q C 2.171 177.989 176.000 -0.303 0.000 0.984 77 Q CA 2.097 57.760 55.803 -0.233 0.000 0.846 77 Q CB -0.283 28.378 28.738 -0.128 0.000 0.902 77 Q HN 0.492 nan 8.270 nan 0.000 0.421 78 H N 0.263 119.098 119.070 -0.392 0.000 2.352 78 H HA -0.105 4.451 4.556 0.001 0.000 0.299 78 H C 1.845 176.917 175.328 -0.427 0.000 1.097 78 H CA 1.480 57.282 56.048 -0.411 0.000 1.311 78 H CB -0.176 29.243 29.762 -0.571 0.000 1.377 78 H HN 0.170 nan 8.280 nan 0.000 0.504 79 L N 0.165 121.075 121.223 -0.522 0.000 2.083 79 L HA -0.205 4.135 4.340 0.001 0.000 0.209 79 L C 2.522 179.167 176.870 -0.376 0.000 1.083 79 L CA 2.002 56.590 54.840 -0.420 0.000 0.752 79 L CB -0.478 41.351 42.059 -0.383 0.000 0.899 79 L HN 0.538 nan 8.230 nan 0.000 0.433 80 Q N 0.042 119.463 119.800 -0.631 0.000 2.119 80 Q HA -0.277 4.063 4.340 0.001 0.000 0.201 80 Q C 2.214 177.878 176.000 -0.560 0.000 0.972 80 Q CA 1.743 56.953 55.803 -0.989 0.000 0.847 80 Q CB 0.077 27.986 28.738 -1.383 0.000 0.903 80 Q HN 0.369 nan 8.270 nan 0.000 0.433 81 K N -0.368 119.737 120.400 -0.492 0.000 2.001 81 K HA -0.095 4.226 4.320 0.001 0.000 0.208 81 K C 1.798 178.164 176.600 -0.390 0.000 1.048 81 K CA 1.424 57.472 56.287 -0.398 0.000 0.932 81 K CB 0.041 32.307 32.500 -0.390 0.000 0.715 81 K HN 0.114 nan 8.250 nan 0.000 0.437 82 V N 1.129 120.741 119.914 -0.504 0.000 3.078 82 V HA -0.151 3.970 4.120 0.001 0.000 0.265 82 V C 2.220 178.164 176.094 -0.251 0.000 1.122 82 V CA 1.585 63.642 62.300 -0.404 0.000 1.141 82 V CB -0.135 31.397 31.823 -0.485 0.000 0.735 82 V HN 0.403 nan 8.190 nan 0.000 0.498 83 S N -0.434 115.122 115.700 -0.241 0.000 2.368 83 S HA -0.120 4.350 4.470 0.001 0.000 0.225 83 S C 1.162 175.688 174.600 -0.123 0.000 1.030 83 S CA 0.726 58.839 58.200 -0.146 0.000 0.999 83 S CB -0.254 62.897 63.200 -0.082 0.000 0.844 83 S HN 0.633 nan 8.310 nan 0.000 0.459 84 Q N 2.510 122.223 119.800 -0.144 0.000 2.292 84 Q HA 0.100 4.441 4.340 0.001 0.000 0.290 84 Q C 0.102 176.046 176.000 -0.092 0.000 1.161 84 Q CA 0.660 56.398 55.803 -0.109 0.000 0.974 84 Q CB -0.947 27.721 28.738 -0.116 0.000 1.136 84 Q HN 0.585 nan 8.270 nan 0.000 0.398 85 E N -0.270 119.889 120.200 -0.068 0.000 9.129 85 E HA -0.174 4.177 4.350 0.001 0.000 0.468 85 E C 0.277 176.842 176.600 -0.058 0.000 1.365 85 E CA 0.434 56.802 56.400 -0.054 0.000 2.372 85 E CB -0.935 28.738 29.700 -0.044 0.000 1.025 85 E HN 0.768 nan 8.360 nan 0.000 0.292 86 G N -0.166 108.608 108.800 -0.044 0.000 2.716 86 G HA2 0.331 4.291 3.960 0.001 0.000 0.251 86 G HA3 0.331 4.291 3.960 0.001 0.000 0.251 86 G C -0.065 174.820 174.900 -0.025 0.000 1.224 86 G CA 1.032 46.110 45.100 -0.037 0.000 0.891 86 G HN 0.696 nan 8.290 nan 0.000 0.561 87 D N -2.611 117.786 120.400 -0.005 0.000 2.938 87 D HA 0.112 4.752 4.640 0.001 0.000 0.089 87 D C 0.213 176.547 176.300 0.057 0.000 1.496 87 D CA 0.417 54.429 54.000 0.021 0.000 1.254 87 D CB -0.246 40.556 40.800 0.003 0.000 2.556 87 D HN 0.332 nan 8.370 nan 0.000 0.265 88 D N -0.658 119.789 120.400 0.079 0.000 2.978 88 D HA -0.152 4.489 4.640 0.001 0.000 0.205 88 D C -0.081 176.295 176.300 0.126 0.000 1.093 88 D CA 1.504 55.574 54.000 0.115 0.000 1.006 88 D CB -0.740 40.152 40.800 0.153 0.000 1.116 88 D HN 0.293 nan 8.370 nan 0.000 0.419 89 D N -1.834 118.636 120.400 0.116 0.000 2.431 89 D HA 0.075 4.715 4.640 0.001 0.000 0.227 89 D C 0.583 176.952 176.300 0.114 0.000 1.030 89 D CA -0.006 54.057 54.000 0.105 0.000 0.897 89 D CB -0.059 40.790 40.800 0.081 0.000 1.058 89 D HN 0.416 nan 8.370 nan 0.000 0.500 90 H N 1.746 120.851 119.070 0.058 0.000 3.140 90 H HA -0.010 4.546 4.556 0.000 0.000 0.316 90 H C -1.495 173.883 175.328 0.084 0.000 0.986 90 H CA -0.617 55.477 56.048 0.077 0.000 1.397 90 H CB 1.025 30.853 29.762 0.110 0.000 1.377 90 H HN -0.131 nan 8.280 nan 0.000 0.585 91 P HA -0.159 nan 4.420 nan 0.000 0.216 91 P C 0.546 177.766 177.300 -0.134 0.000 1.153 91 P CA 1.621 64.577 63.100 -0.240 0.000 0.858 91 P CB 0.317 31.837 31.700 -0.300 0.000 0.789 92 D N -2.167 118.186 120.400 -0.079 0.000 2.349 92 D HA 0.024 4.664 4.640 0.001 0.000 0.215 92 D C 1.850 178.197 176.300 0.077 0.000 1.016 92 D CA 0.473 54.501 54.000 0.046 0.000 0.870 92 D CB -0.440 40.459 40.800 0.164 0.000 0.917 92 D HN 0.009 nan 8.370 nan 0.000 0.524 93 S N 0.375 116.252 115.700 0.295 0.000 2.370 93 S HA -0.109 4.361 4.470 0.001 0.000 0.226 93 S C 1.883 176.560 174.600 0.128 0.000 1.033 93 S CA 0.548 58.949 58.200 0.335 0.000 1.011 93 S CB 0.017 63.413 63.200 0.327 0.000 0.852 93 S HN 0.265 nan 8.310 nan 0.000 0.457 94 I N 2.096 122.673 120.570 0.012 0.000 2.286 94 I HA -0.183 3.988 4.170 0.001 0.000 0.248 94 I C 2.647 178.719 176.117 -0.076 0.000 1.115 94 I CA 1.479 62.743 61.300 -0.060 0.000 1.392 94 I CB -1.432 36.514 38.000 -0.089 0.000 1.065 94 I HN 0.560 nan 8.210 nan 0.000 0.418 95 E N 0.470 120.581 120.200 -0.148 0.000 2.274 95 E HA -0.230 4.121 4.350 0.001 0.000 0.194 95 E C 1.311 177.754 176.600 -0.263 0.000 0.996 95 E CA 1.042 57.293 56.400 -0.248 0.000 0.840 95 E CB -0.331 29.147 29.700 -0.371 0.000 0.772 95 E HN 0.442 nan 8.360 nan 0.000 0.491 96 Y N 0.417 120.700 120.300 -0.028 0.000 2.495 96 Y HA 0.318 4.869 4.550 0.001 0.000 0.293 96 Y C 1.585 177.567 175.900 0.138 0.000 1.186 96 Y CA 0.227 58.377 58.100 0.083 0.000 1.266 96 Y CB 0.540 39.066 38.460 0.111 0.000 1.101 96 Y HN 0.284 nan 8.280 nan 0.000 0.517 97 G N -0.600 108.288 108.800 0.146 0.000 2.184 97 G HA2 -0.281 3.680 3.960 0.001 0.000 0.264 97 G HA3 -0.281 3.680 3.960 0.001 0.000 0.264 97 G C 0.115 175.067 174.900 0.087 0.000 0.975 97 G CA 0.095 45.246 45.100 0.084 0.000 0.642 97 G HN 0.115 nan 8.290 nan 0.000 0.536 98 L N 0.351 121.672 121.223 0.164 0.000 2.466 98 L HA 0.714 5.054 4.340 0.001 0.000 0.257 98 L C 1.427 178.296 176.870 -0.002 0.000 1.189 98 L CA 1.406 56.337 54.840 0.152 0.000 0.813 98 L CB 0.161 42.378 42.059 0.263 0.000 1.118 98 L HN 1.456 nan 8.230 nan 0.000 0.471 99 G N 0.829 109.605 108.800 -0.039 0.000 2.301 99 G HA2 -0.196 3.764 3.960 0.001 0.000 0.194 99 G HA3 -0.196 3.764 3.960 0.001 0.000 0.194 99 G C 0.398 175.220 174.900 -0.130 0.000 1.266 99 G CA -0.009 44.905 45.100 -0.309 0.000 1.210 99 G HN 0.455 nan 8.290 nan 0.000 0.524 100 Y N 0.501 120.826 120.300 0.042 0.000 2.475 100 Y HA 0.173 4.723 4.550 0.000 0.000 0.289 100 Y C 2.530 178.449 175.900 0.031 0.000 1.121 100 Y CA 0.776 58.891 58.100 0.025 0.000 1.257 100 Y CB 0.174 38.640 38.460 0.010 0.000 1.026 100 Y HN 0.351 nan 8.280 nan 0.000 0.555 101 D N -0.566 119.907 120.400 0.122 0.000 2.162 101 D HA 0.001 4.642 4.640 0.001 0.000 0.205 101 D C 0.043 176.443 176.300 0.167 0.000 0.964 101 D CA 0.881 54.964 54.000 0.139 0.000 0.847 101 D CB 0.094 40.882 40.800 -0.020 0.000 0.988 101 D HN 0.136 nan 8.370 nan 0.000 0.480 102 C N 3.390 122.724 119.300 0.057 0.000 3.075 102 C HA 0.361 4.822 4.460 0.001 0.000 0.262 102 C C -2.349 172.773 174.990 0.220 0.000 1.371 102 C CA -1.484 57.527 59.018 -0.011 0.000 1.594 102 C CB -0.002 27.565 27.740 -0.289 0.000 1.849 102 C HN 0.173 nan 8.230 nan 0.000 0.475 103 P HA 0.134 nan 4.420 nan 0.000 0.269 103 P C -0.188 177.227 177.300 0.191 0.000 1.209 103 P CA 0.596 63.805 63.100 0.181 0.000 0.776 103 P CB 0.920 32.692 31.700 0.120 0.000 0.876 104 A N 2.482 125.371 122.820 0.115 0.000 3.157 104 A HA 0.342 4.662 4.320 0.001 0.000 0.276 104 A C 1.071 178.625 177.584 -0.050 0.000 1.524 104 A CA -0.276 51.782 52.037 0.036 0.000 1.236 104 A CB -1.247 17.784 19.000 0.052 0.000 1.173 104 A HN 0.608 nan 8.150 nan 0.000 0.595 105 T N -0.632 113.860 114.554 -0.103 0.000 2.689 105 T HA 0.256 4.607 4.350 0.001 0.000 0.308 105 T C 0.260 174.885 174.700 -0.125 0.000 1.021 105 T CA -0.422 61.612 62.100 -0.109 0.000 0.973 105 T CB 0.274 69.065 68.868 -0.130 0.000 1.113 105 T HN 0.625 nan 8.240 nan 0.000 0.522 106 E N 0.419 120.559 120.200 -0.100 0.000 2.299 106 E HA 0.373 4.723 4.350 0.001 0.000 0.272 106 E C 1.034 177.580 176.600 -0.088 0.000 1.043 106 E CA 0.044 56.394 56.400 -0.084 0.000 0.895 106 E CB 0.180 29.845 29.700 -0.059 0.000 1.011 106 E HN 1.228 nan 8.360 nan 0.000 0.432 107 G N 3.878 112.636 108.800 -0.070 0.000 2.213 107 G HA2 -0.377 3.583 3.960 0.001 0.000 0.236 107 G HA3 -0.377 3.583 3.960 0.001 0.000 0.236 107 G C 0.903 175.783 174.900 -0.033 0.000 0.991 107 G CA 0.160 45.241 45.100 -0.033 0.000 0.629 107 G HN 0.745 nan 8.290 nan 0.000 0.517 108 I N -1.710 118.774 120.570 -0.144 0.000 2.229 108 I HA -0.209 3.962 4.170 0.001 0.000 0.250 108 I C 2.263 178.346 176.117 -0.057 0.000 1.096 108 I CA 2.437 63.580 61.300 -0.263 0.000 1.358 108 I CB -0.604 37.075 38.000 -0.534 0.000 1.047 108 I HN 0.236 nan 8.210 nan 0.000 0.422 109 F N 2.770 122.639 119.950 -0.134 0.000 2.134 109 F HA -0.201 4.326 4.527 0.000 0.000 0.299 109 F C 2.170 177.963 175.800 -0.013 0.000 1.097 109 F CA 1.995 59.944 58.000 -0.084 0.000 1.264 109 F CB -0.380 38.545 39.000 -0.125 0.000 1.001 109 F HN 0.076 nan 8.300 nan 0.000 0.479 110 D N -0.770 119.667 120.400 0.062 0.000 2.144 110 D HA -0.228 4.412 4.640 0.001 0.000 0.200 110 D C 1.990 178.277 176.300 -0.022 0.000 0.978 110 D CA 1.482 55.474 54.000 -0.013 0.000 0.833 110 D CB -0.794 40.054 40.800 0.081 0.000 0.961 110 D HN 0.470 nan 8.370 nan 0.000 0.470 111 Y N 1.946 122.183 120.300 -0.105 0.000 2.165 111 Y HA -0.228 4.323 4.550 0.000 0.000 0.286 111 Y C 2.221 178.075 175.900 -0.077 0.000 1.155 111 Y CA 1.883 59.930 58.100 -0.088 0.000 1.164 111 Y CB -0.339 38.043 38.460 -0.129 0.000 0.978 111 Y HN -0.064 nan 8.280 nan 0.000 0.513 112 A N 0.607 123.417 122.820 -0.018 0.000 1.930 112 A HA -0.007 4.314 4.320 0.001 0.000 0.217 112 A C 2.388 179.874 177.584 -0.164 0.000 1.175 112 A CA 1.635 53.622 52.037 -0.083 0.000 0.627 112 A CB -1.400 17.604 19.000 0.006 0.000 0.815 112 A HN 0.650 nan 8.150 nan 0.000 0.443 113 A N -0.367 122.283 122.820 -0.283 0.000 2.014 113 A HA 0.313 4.634 4.320 0.001 0.000 0.218 113 A C 2.394 179.908 177.584 -0.118 0.000 1.163 113 A CA 1.580 53.463 52.037 -0.258 0.000 0.652 113 A CB -0.726 18.029 19.000 -0.408 0.000 0.808 113 A HN 0.895 nan 8.150 nan 0.000 0.449 114 A N 0.144 122.913 122.820 -0.085 0.000 1.898 114 A HA -0.024 4.296 4.320 0.001 0.000 0.216 114 A C 2.085 179.723 177.584 0.090 0.000 1.181 114 A CA 1.457 53.505 52.037 0.019 0.000 0.620 114 A CB -0.493 18.566 19.000 0.097 0.000 0.819 114 A HN 0.473 nan 8.150 nan 0.000 0.442 115 I N -0.570 120.028 120.570 0.047 0.000 2.286 115 I HA -0.123 4.048 4.170 0.001 0.000 0.245 115 I C 2.727 178.902 176.117 0.097 0.000 1.104 115 I CA 0.967 62.350 61.300 0.140 0.000 1.397 115 I CB -0.735 37.292 38.000 0.045 0.000 1.072 115 I HN 0.393 nan 8.210 nan 0.000 0.417 116 G N 0.869 109.708 108.800 0.065 0.000 2.446 116 G HA2 -0.222 3.739 3.960 0.001 0.000 0.217 116 G HA3 -0.222 3.739 3.960 0.001 0.000 0.217 116 G C 1.724 176.636 174.900 0.020 0.000 1.168 116 G CA 0.912 46.056 45.100 0.072 0.000 0.771 116 G HN 0.486 nan 8.290 nan 0.000 0.551 117 G N 1.090 109.878 108.800 -0.020 0.000 2.440 117 G HA2 0.008 3.968 3.960 0.001 0.000 0.218 117 G HA3 0.008 3.968 3.960 0.001 0.000 0.218 117 G C 2.051 176.886 174.900 -0.109 0.000 1.154 117 G CA 1.601 46.666 45.100 -0.057 0.000 0.767 117 G HN 0.686 nan 8.290 nan 0.000 0.552 118 A N 0.022 122.745 122.820 -0.162 0.000 1.933 118 A HA 0.013 4.333 4.320 0.001 0.000 0.218 118 A C 2.518 180.010 177.584 -0.154 0.000 1.175 118 A CA 2.394 54.259 52.037 -0.287 0.000 0.628 118 A CB -0.767 17.933 19.000 -0.499 0.000 0.814 118 A HN 0.296 nan 8.150 nan 0.000 0.444 119 T N 0.015 114.530 114.554 -0.064 0.000 2.857 119 T HA 0.024 4.374 4.350 0.001 0.000 0.266 119 T C 1.765 176.446 174.700 -0.031 0.000 1.048 119 T CA 1.188 63.265 62.100 -0.038 0.000 1.139 119 T CB -0.321 68.553 68.868 0.010 0.000 0.874 119 T HN 0.408 nan 8.240 nan 0.000 0.455 120 I N 1.307 121.864 120.570 -0.021 0.000 2.226 120 I HA -0.184 3.986 4.170 0.001 0.000 0.245 120 I C 2.671 178.772 176.117 -0.027 0.000 1.100 120 I CA 1.132 62.426 61.300 -0.009 0.000 1.374 120 I CB -0.609 37.392 38.000 0.001 0.000 1.057 120 I HN 0.241 nan 8.210 nan 0.000 0.413 121 T N 0.853 115.371 114.554 -0.059 0.000 2.684 121 T HA -0.195 4.155 4.350 0.001 0.000 0.267 121 T C 2.080 176.745 174.700 -0.059 0.000 1.036 121 T CA 1.457 63.516 62.100 -0.068 0.000 1.148 121 T CB -0.416 68.384 68.868 -0.114 0.000 0.863 121 T HN 0.482 nan 8.240 nan 0.000 0.436 122 A N 1.747 124.522 122.820 -0.075 0.000 1.873 122 A HA 0.032 4.352 4.320 0.001 0.000 0.218 122 A C 2.705 180.272 177.584 -0.029 0.000 1.193 122 A CA 2.143 54.141 52.037 -0.065 0.000 0.629 122 A CB -1.323 17.622 19.000 -0.091 0.000 0.826 122 A HN 0.530 nan 8.150 nan 0.000 0.447 123 A N -1.240 121.571 122.820 -0.014 0.000 1.908 123 A HA -0.237 4.083 4.320 0.001 0.000 0.218 123 A C 2.161 179.772 177.584 0.044 0.000 1.181 123 A CA 2.312 54.362 52.037 0.021 0.000 0.627 123 A CB -0.526 18.494 19.000 0.033 0.000 0.818 123 A HN 0.566 nan 8.150 nan 0.000 0.445 124 Q N -0.390 119.424 119.800 0.023 0.000 2.079 124 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 124 Q C 2.005 178.022 176.000 0.028 0.000 0.974 124 Q CA 2.081 57.900 55.803 0.026 0.000 0.840 124 Q CB -1.067 27.676 28.738 0.008 0.000 0.898 124 Q HN 0.638 nan 8.270 nan 0.000 0.430 125 C N -0.178 119.131 119.300 0.014 0.000 2.385 125 C HA -0.168 4.292 4.460 0.001 0.000 0.275 125 C C 2.413 177.426 174.990 0.039 0.000 1.207 125 C CA 0.760 59.787 59.018 0.016 0.000 1.760 125 C CB -1.262 26.479 27.740 0.001 0.000 2.051 125 C HN 0.496 nan 8.230 nan 0.000 0.467 126 L N 0.290 121.545 121.223 0.053 0.000 2.083 126 L HA -0.070 4.270 4.340 0.001 0.000 0.209 126 L C 2.219 179.191 176.870 0.171 0.000 1.083 126 L CA 1.611 56.508 54.840 0.094 0.000 0.752 126 L CB -1.018 41.087 42.059 0.077 0.000 0.899 126 L HN 0.367 nan 8.230 nan 0.000 0.433 127 I N -0.529 120.139 120.570 0.162 0.000 2.252 127 I HA -0.259 3.911 4.170 0.001 0.000 0.245 127 I C 1.538 177.683 176.117 0.048 0.000 1.102 127 I CA 1.029 62.404 61.300 0.125 0.000 1.385 127 I CB -0.301 37.738 38.000 0.065 0.000 1.064 127 I HN 0.202 nan 8.210 nan 0.000 0.414 128 D N 0.854 121.278 120.400 0.041 0.000 2.392 128 D HA -0.015 4.625 4.640 0.001 0.000 0.228 128 D C 1.720 178.036 176.300 0.027 0.000 1.003 128 D CA 1.081 55.093 54.000 0.021 0.000 0.917 128 D CB -0.096 40.714 40.800 0.017 0.000 0.890 128 D HN 0.480 nan 8.370 nan 0.000 0.532 129 G N 1.045 109.875 108.800 0.049 0.000 2.162 129 G HA2 -0.402 3.558 3.960 0.001 0.000 0.260 129 G HA3 -0.402 3.558 3.960 0.001 0.000 0.260 129 G C 0.917 175.839 174.900 0.038 0.000 0.976 129 G CA 0.641 45.770 45.100 0.049 0.000 0.655 129 G HN 0.428 nan 8.290 nan 0.000 0.533 130 M N 0.215 119.835 119.600 0.033 0.000 2.460 130 M HA 0.211 4.691 4.480 0.001 0.000 0.263 130 M C 1.180 177.496 176.300 0.026 0.000 1.071 130 M CA 1.877 57.192 55.300 0.026 0.000 1.096 130 M CB -0.242 32.371 32.600 0.022 0.000 1.408 130 M HN 1.006 nan 8.290 nan 0.000 0.463 131 C N -2.751 116.567 119.300 0.030 0.000 3.306 131 C HA 0.492 4.953 4.460 0.001 0.000 0.335 131 C C 0.500 175.506 174.990 0.027 0.000 1.382 131 C CA -1.097 57.935 59.018 0.024 0.000 1.254 131 C CB 1.401 29.151 27.740 0.017 0.000 1.555 131 C HN 0.158 nan 8.230 nan 0.000 0.463 132 K N -0.002 120.408 120.400 0.017 0.000 2.354 132 K HA 0.386 4.706 4.320 0.001 0.000 0.194 132 K C -0.115 176.479 176.600 -0.010 0.000 1.045 132 K CA 0.663 56.957 56.287 0.013 0.000 1.026 132 K CB 0.684 33.192 32.500 0.013 0.000 0.866 132 K HN 0.658 nan 8.250 nan 0.000 0.530 133 V N 0.917 120.820 119.914 -0.017 0.000 2.623 133 V HA 0.566 4.686 4.120 0.001 0.000 0.304 133 V C -1.017 175.050 176.094 -0.046 0.000 1.054 133 V CA -1.216 61.059 62.300 -0.042 0.000 0.882 133 V CB 1.706 33.502 31.823 -0.045 0.000 1.002 133 V HN 0.101 nan 8.190 nan 0.000 0.424 134 A N 5.774 128.550 122.820 -0.074 0.000 2.365 134 A HA 0.974 5.294 4.320 0.001 0.000 0.318 134 A C -1.039 176.445 177.584 -0.167 0.000 1.091 134 A CA -0.568 51.419 52.037 -0.083 0.000 0.763 134 A CB 1.279 20.241 19.000 -0.063 0.000 1.248 134 A HN 0.759 nan 8.150 nan 0.000 0.442 135 I N 1.940 122.397 120.570 -0.188 0.000 2.436 135 I HA 0.372 4.542 4.170 0.001 0.000 0.289 135 I C -0.138 175.767 176.117 -0.353 0.000 1.010 135 I CA -0.290 60.782 61.300 -0.381 0.000 1.098 135 I CB 2.044 39.815 38.000 -0.381 0.000 1.266 135 I HN 0.792 nan 8.210 nan 0.000 0.434 136 N N 5.542 123.987 118.700 -0.426 0.000 2.690 136 N HA 0.198 4.938 4.740 0.001 0.000 0.255 136 N C -0.004 175.377 175.510 -0.216 0.000 1.195 136 N CA -0.492 52.423 53.050 -0.224 0.000 0.790 136 N CB 0.735 39.151 38.487 -0.120 0.000 1.216 136 N HN 0.680 nan 8.380 nan 0.000 0.528 137 W N 1.577 122.827 121.300 -0.083 0.000 2.611 137 W HA 0.031 4.691 4.660 0.000 0.000 0.251 137 W C 1.797 178.191 176.519 -0.208 0.000 1.265 137 W CA -0.087 57.075 57.345 -0.305 0.000 1.295 137 W CB 0.558 29.945 29.460 -0.122 0.000 1.129 137 W HN 0.438 nan 8.180 nan 0.000 0.630 138 S N -0.628 115.219 115.700 0.244 0.000 2.548 138 S HA 0.157 4.627 4.470 0.001 0.000 0.215 138 S C 1.216 176.008 174.600 0.320 0.000 0.976 138 S CA 0.194 58.573 58.200 0.298 0.000 0.908 138 S CB -0.178 63.119 63.200 0.161 0.000 0.781 138 S HN 0.202 nan 8.310 nan 0.000 0.519 139 G N -0.148 108.726 108.800 0.124 0.000 2.525 139 G HA2 0.473 4.433 3.960 0.001 0.000 0.287 139 G HA3 0.473 4.433 3.960 0.001 0.000 0.287 139 G C 0.685 175.371 174.900 -0.358 0.000 1.350 139 G CA -0.000 45.113 45.100 0.022 0.000 1.039 139 G HN 0.699 nan 8.290 nan 0.000 0.513 140 G N -2.621 105.978 108.800 -0.337 0.000 2.141 140 G HA2 -0.185 3.775 3.960 0.001 0.000 0.195 140 G HA3 -0.185 3.775 3.960 0.001 0.000 0.195 140 G C -0.026 174.557 174.900 -0.528 0.000 1.012 140 G CA -0.055 44.786 45.100 -0.433 0.000 0.696 140 G HN 0.568 nan 8.290 nan 0.000 0.508 141 W N 1.756 123.169 121.300 0.187 0.000 2.290 141 W HA 0.538 5.198 4.660 0.000 0.000 0.408 141 W C 1.500 178.157 176.519 0.229 0.000 0.966 141 W CA -0.186 57.308 57.345 0.248 0.000 1.579 141 W CB -0.421 29.202 29.460 0.270 0.000 1.662 141 W HN 0.578 nan 8.180 nan 0.000 0.341 142 H N -1.975 117.118 119.070 0.039 0.000 2.539 142 H HA 0.081 4.638 4.556 0.000 0.000 0.269 142 H C 1.268 176.540 175.328 -0.093 0.000 0.980 142 H CA 0.201 56.212 56.048 -0.062 0.000 1.152 142 H CB 0.219 29.954 29.762 -0.045 0.000 1.407 142 H HN 0.356 nan 8.280 nan 0.000 0.564 143 H N 1.166 120.267 119.070 0.053 0.000 2.525 143 H HA 0.339 4.895 4.556 0.001 0.000 0.275 143 H C 1.037 176.405 175.328 0.067 0.000 0.984 143 H CA 0.424 56.459 56.048 -0.023 0.000 1.264 143 H CB -0.046 29.734 29.762 0.029 0.000 1.432 143 H HN 0.483 nan 8.280 nan 0.000 0.549 144 A N 2.292 125.270 122.820 0.263 0.000 2.511 144 A HA 0.201 4.521 4.320 0.001 0.000 0.242 144 A C 0.480 178.246 177.584 0.303 0.000 1.069 144 A CA -0.021 52.174 52.037 0.263 0.000 0.763 144 A CB 0.319 19.529 19.000 0.351 0.000 1.001 144 A HN 0.280 nan 8.150 nan 0.000 0.498 145 K N 1.177 121.683 120.400 0.178 0.000 2.210 145 K HA 0.278 4.598 4.320 0.001 0.000 0.236 145 K C 0.991 177.554 176.600 -0.061 0.000 1.016 145 K CA -0.439 55.928 56.287 0.134 0.000 0.913 145 K CB 1.113 33.620 32.500 0.012 0.000 1.141 145 K HN 0.722 nan 8.250 nan 0.000 0.462 146 K N 0.282 120.412 120.400 -0.450 0.000 2.152 146 K HA -0.171 4.149 4.320 0.001 0.000 0.206 146 K C 0.168 176.569 176.600 -0.333 0.000 1.048 146 K CA 2.081 57.839 56.287 -0.882 0.000 0.933 146 K CB -0.150 31.776 32.500 -0.957 0.000 0.721 146 K HN 0.642 nan 8.250 nan 0.000 0.447 147 D N -0.339 119.879 120.400 -0.304 0.000 2.673 147 D HA 0.187 4.827 4.640 0.001 0.000 0.278 147 D C -0.914 175.182 176.300 -0.339 0.000 1.393 147 D CA -0.433 53.407 54.000 -0.267 0.000 0.805 147 D CB 0.291 41.097 40.800 0.010 0.000 1.110 147 D HN 0.275 nan 8.370 nan 0.000 0.476 148 E N 0.306 120.171 120.200 -0.560 0.000 2.343 148 E HA 0.520 4.870 4.350 0.001 0.000 0.288 148 E C -1.124 175.353 176.600 -0.206 0.000 0.907 148 E CA -0.693 55.551 56.400 -0.260 0.000 0.792 148 E CB 2.192 31.837 29.700 -0.091 0.000 1.275 148 E HN 0.219 nan 8.360 nan 0.000 0.402 149 A N 2.351 125.163 122.820 -0.013 0.000 2.406 149 A HA 0.544 4.865 4.320 0.001 0.000 0.243 149 A C -0.067 177.519 177.584 0.003 0.000 1.082 149 A CA 0.275 52.337 52.037 0.043 0.000 0.786 149 A CB 0.946 19.995 19.000 0.082 0.000 1.029 149 A HN 0.381 nan 8.150 nan 0.000 0.495 150 S N -0.405 115.288 115.700 -0.012 0.000 2.579 150 S HA 0.485 4.955 4.470 0.001 0.000 0.290 150 S C 0.055 174.676 174.600 0.036 0.000 1.123 150 S CA 0.682 58.899 58.200 0.029 0.000 0.894 150 S CB 0.322 63.578 63.200 0.094 0.000 1.095 150 S HN 2.740 nan 8.310 nan 0.000 0.450 151 G N 3.275 111.971 108.800 -0.174 0.000 2.323 151 G HA2 -0.260 3.700 3.960 0.001 0.000 0.292 151 G HA3 -0.260 3.700 3.960 0.001 0.000 0.292 151 G C 0.534 175.198 174.900 -0.392 0.000 1.040 151 G CA 0.585 45.362 45.100 -0.539 0.000 0.942 151 G HN 1.758 nan 8.290 nan 0.000 0.506 152 F N -4.637 115.242 119.950 -0.118 0.000 2.794 152 F HA -0.298 4.230 4.527 0.001 0.000 0.335 152 F C 1.185 176.827 175.800 -0.264 0.000 0.653 152 F CA 0.067 57.955 58.000 -0.187 0.000 1.266 152 F CB -2.141 36.819 39.000 -0.067 0.000 1.666 152 F HN 0.503 nan 8.300 nan 0.000 0.314 153 C N 1.028 120.333 119.300 0.008 0.000 2.239 153 C HA 0.394 4.854 4.460 0.001 0.000 0.325 153 C C 1.336 176.305 174.990 -0.034 0.000 1.231 153 C CA -0.487 58.609 59.018 0.129 0.000 1.652 153 C CB -0.604 27.368 27.740 0.387 0.000 2.284 153 C HN 0.332 nan 8.230 nan 0.000 0.499 154 Y N 1.463 121.902 120.300 0.231 0.000 2.490 154 Y HA 0.348 4.898 4.550 0.001 0.000 0.285 154 Y C 0.647 176.697 175.900 0.250 0.000 1.117 154 Y CA 0.251 58.499 58.100 0.247 0.000 1.262 154 Y CB 0.103 38.682 38.460 0.198 0.000 1.043 154 Y HN 0.500 nan 8.280 nan 0.000 0.553 155 L N 0.023 121.483 121.223 0.394 0.000 2.513 155 L HA 0.330 4.671 4.340 0.001 0.000 0.261 155 L C -1.104 176.085 176.870 0.533 0.000 0.945 155 L CA -0.628 54.463 54.840 0.417 0.000 0.848 155 L CB 1.604 43.859 42.059 0.326 0.000 1.334 155 L HN -0.149 nan 8.230 nan 0.000 0.407 156 N N 2.954 122.063 118.700 0.681 0.000 2.719 156 N HA 0.061 4.801 4.740 0.001 0.000 0.243 156 N C 0.415 176.067 175.510 0.237 0.000 1.104 156 N CA 0.076 53.352 53.050 0.378 0.000 0.981 156 N CB 0.580 39.206 38.487 0.232 0.000 1.290 156 N HN 0.765 nan 8.380 nan 0.000 0.513 157 D N 2.003 122.557 120.400 0.257 0.000 2.224 157 D HA -0.134 4.506 4.640 0.001 0.000 0.205 157 D C 1.276 177.626 176.300 0.084 0.000 0.965 157 D CA 0.383 54.488 54.000 0.174 0.000 0.852 157 D CB 0.070 40.990 40.800 0.201 0.000 0.947 157 D HN 0.368 nan 8.370 nan 0.000 0.494 158 A N 1.356 124.214 122.820 0.064 0.000 1.877 158 A HA -0.099 4.222 4.320 0.001 0.000 0.216 158 A C 2.659 180.213 177.584 -0.049 0.000 1.186 158 A CA 1.644 53.690 52.037 0.015 0.000 0.620 158 A CB -0.965 18.044 19.000 0.015 0.000 0.822 158 A HN 0.183 nan 8.150 nan 0.000 0.443 159 V N 0.313 120.144 119.914 -0.137 0.000 2.343 159 V HA -0.270 3.851 4.120 0.001 0.000 0.247 159 V C 2.581 178.625 176.094 -0.083 0.000 1.051 159 V CA 1.962 64.134 62.300 -0.213 0.000 1.036 159 V CB -0.772 30.572 31.823 -0.799 0.000 0.654 159 V HN 0.570 nan 8.190 nan 0.000 0.451 160 L N 0.226 121.424 121.223 -0.041 0.000 2.042 160 L HA -0.131 4.210 4.340 0.001 0.000 0.210 160 L C 2.652 179.549 176.870 0.044 0.000 1.076 160 L CA 1.848 56.708 54.840 0.034 0.000 0.749 160 L CB -1.269 40.838 42.059 0.080 0.000 0.893 160 L HN 0.485 nan 8.230 nan 0.000 0.432 161 G N 0.322 109.143 108.800 0.035 0.000 2.418 161 G HA2 -0.212 3.748 3.960 0.001 0.000 0.217 161 G HA3 -0.212 3.748 3.960 0.001 0.000 0.217 161 G C 1.593 176.517 174.900 0.040 0.000 1.158 161 G CA 0.649 45.769 45.100 0.032 0.000 0.771 161 G HN 0.280 nan 8.290 nan 0.000 0.545 162 I N 0.309 120.902 120.570 0.038 0.000 2.252 162 I HA -0.100 4.070 4.170 0.001 0.000 0.245 162 I C 2.627 178.777 176.117 0.056 0.000 1.102 162 I CA 0.659 61.965 61.300 0.010 0.000 1.385 162 I CB -0.168 37.781 38.000 -0.084 0.000 1.064 162 I HN 0.117 nan 8.210 nan 0.000 0.414 163 L N 0.118 121.415 121.223 0.122 0.000 2.201 163 L HA -0.172 4.169 4.340 0.001 0.000 0.212 163 L C 2.662 179.587 176.870 0.091 0.000 1.105 163 L CA 0.720 55.638 54.840 0.130 0.000 0.775 163 L CB -0.464 41.676 42.059 0.135 0.000 0.913 163 L HN 0.189 nan 8.230 nan 0.000 0.440 164 R N 0.892 121.438 120.500 0.077 0.000 2.073 164 R HA -0.078 4.263 4.340 0.001 0.000 0.229 164 R C 2.078 178.434 176.300 0.094 0.000 1.120 164 R CA 1.524 57.667 56.100 0.071 0.000 0.967 164 R CB -0.731 29.603 30.300 0.057 0.000 0.862 164 R HN 0.242 nan 8.270 nan 0.000 0.436 165 L N 0.292 121.585 121.223 0.117 0.000 2.191 165 L HA -0.098 4.243 4.340 0.001 0.000 0.212 165 L C 2.342 179.355 176.870 0.239 0.000 1.103 165 L CA 0.910 55.881 54.840 0.219 0.000 0.769 165 L CB -0.356 41.799 42.059 0.160 0.000 0.908 165 L HN 0.108 nan 8.230 nan 0.000 0.438 166 R N 0.391 120.970 120.500 0.132 0.000 2.241 166 R HA -0.100 4.241 4.340 0.001 0.000 0.224 166 R C 2.189 178.525 176.300 0.060 0.000 1.101 166 R CA 0.893 57.052 56.100 0.098 0.000 0.995 166 R CB -0.401 29.945 30.300 0.077 0.000 0.870 166 R HN 0.429 nan 8.270 nan 0.000 0.463 167 R N -0.084 120.443 120.500 0.046 0.000 2.120 167 R HA -0.132 4.208 4.340 0.001 0.000 0.234 167 R C 2.116 178.373 176.300 -0.072 0.000 1.123 167 R CA 1.497 57.596 56.100 -0.002 0.000 0.975 167 R CB -0.024 30.277 30.300 0.002 0.000 0.866 167 R HN 0.125 nan 8.270 nan 0.000 0.446 168 K N -0.579 119.738 120.400 -0.139 0.000 2.306 168 K HA 0.102 4.422 4.320 0.001 0.000 0.200 168 K C -0.335 175.978 176.600 -0.479 0.000 1.083 168 K CA 0.096 56.138 56.287 -0.408 0.000 0.959 168 K CB 0.482 32.545 32.500 -0.728 0.000 0.994 168 K HN -0.126 nan 8.250 nan 0.000 0.492 169 F N 1.306 121.245 119.950 -0.018 0.000 2.421 169 F HA 0.237 4.765 4.527 0.001 0.000 0.337 169 F C 1.127 176.904 175.800 -0.037 0.000 1.105 169 F CA -0.749 57.234 58.000 -0.028 0.000 1.049 169 F CB 1.748 40.736 39.000 -0.020 0.000 1.139 169 F HN -0.047 nan 8.300 nan 0.000 0.479 170 E N 1.153 121.420 120.200 0.112 0.000 2.276 170 E HA 0.146 4.496 4.350 0.001 0.000 0.193 170 E C -0.037 176.561 176.600 -0.005 0.000 0.983 170 E CA 0.631 57.044 56.400 0.021 0.000 0.861 170 E CB 0.347 30.031 29.700 -0.026 0.000 0.817 170 E HN 0.446 nan 8.360 nan 0.000 0.485 171 R N 0.048 120.537 120.500 -0.017 0.000 2.473 171 R HA 0.493 4.834 4.340 0.001 0.000 0.303 171 R C -0.944 175.389 176.300 0.056 0.000 1.002 171 R CA -0.269 55.770 56.100 -0.101 0.000 0.884 171 R CB 1.403 31.385 30.300 -0.530 0.000 1.173 171 R HN -0.034 nan 8.270 nan 0.000 0.464 172 I N 3.818 124.502 120.570 0.189 0.000 2.433 172 I HA 0.324 4.494 4.170 0.001 0.000 0.292 172 I C -0.908 175.342 176.117 0.221 0.000 1.001 172 I CA -1.095 60.277 61.300 0.120 0.000 1.119 172 I CB 1.906 39.903 38.000 -0.006 0.000 1.289 172 I HN 0.291 nan 8.210 nan 0.000 0.438 173 L N 7.597 128.930 121.223 0.184 0.000 2.287 173 L HA 0.423 4.763 4.340 0.001 0.000 0.287 173 L C -1.262 175.696 176.870 0.146 0.000 1.022 173 L CA -0.334 54.602 54.840 0.160 0.000 0.814 173 L CB 0.884 43.067 42.059 0.206 0.000 1.217 173 L HN 0.445 nan 8.230 nan 0.000 0.420 174 Y N 5.343 125.641 120.300 -0.003 0.000 2.341 174 Y HA 0.660 5.210 4.550 0.000 0.000 0.340 174 Y C -1.046 174.891 175.900 0.062 0.000 0.997 174 Y CA -0.632 57.477 58.100 0.016 0.000 1.149 174 Y CB 1.210 39.671 38.460 0.001 0.000 1.171 174 Y HN 0.391 nan 8.280 nan 0.000 0.494 175 V N 6.507 126.162 119.914 -0.432 0.000 2.487 175 V HA 0.301 4.422 4.120 0.001 0.000 0.298 175 V C -0.980 174.804 176.094 -0.516 0.000 1.028 175 V CA -0.891 61.228 62.300 -0.302 0.000 0.860 175 V CB 1.692 33.484 31.823 -0.051 0.000 0.991 175 V HN 0.723 nan 8.190 nan 0.000 0.427 176 D N 4.382 124.584 120.400 -0.330 0.000 2.469 176 D HA 0.418 5.058 4.640 0.001 0.000 0.251 176 D C 0.047 176.379 176.300 0.054 0.000 1.173 176 D CA -0.272 53.597 54.000 -0.219 0.000 0.882 176 D CB 1.868 42.624 40.800 -0.074 0.000 1.129 176 D HN 0.461 nan 8.370 nan 0.000 0.549 177 L N 2.303 123.576 121.223 0.084 0.000 2.857 177 L HA 0.199 4.540 4.340 0.001 0.000 0.249 177 L C 1.115 178.123 176.870 0.229 0.000 1.172 177 L CA -0.422 54.557 54.840 0.232 0.000 0.980 177 L CB 0.260 42.467 42.059 0.247 0.000 1.299 177 L HN 0.325 nan 8.230 nan 0.000 0.535 178 D N 0.952 121.446 120.400 0.156 0.000 2.443 178 D HA -0.099 4.542 4.640 0.001 0.000 0.234 178 D C 1.088 177.531 176.300 0.239 0.000 1.172 178 D CA 0.106 54.213 54.000 0.178 0.000 0.878 178 D CB 1.584 42.445 40.800 0.102 0.000 1.204 178 D HN -0.008 nan 8.370 nan 0.000 0.453 179 L N 3.640 124.933 121.223 0.117 0.000 2.127 179 L HA -0.137 4.204 4.340 0.001 0.000 0.211 179 L C 0.388 177.260 176.870 0.003 0.000 1.089 179 L CA 1.758 56.511 54.840 -0.145 0.000 0.757 179 L CB -0.421 41.428 42.059 -0.350 0.000 0.899 179 L HN 0.409 nan 8.230 nan 0.000 0.434 180 H N -1.519 117.841 119.070 0.482 0.000 2.472 180 H HA 0.233 4.790 4.556 0.001 0.000 0.335 180 H C -0.341 175.300 175.328 0.522 0.000 1.136 180 H CA -0.416 55.974 56.048 0.571 0.000 1.264 180 H CB 0.356 30.497 29.762 0.632 0.000 1.486 180 H HN 0.188 nan 8.280 nan 0.000 0.517 181 H N 1.589 120.827 119.070 0.280 0.000 3.167 181 H HA -0.047 4.509 4.556 0.001 0.000 0.306 181 H C 0.648 175.991 175.328 0.025 0.000 0.965 181 H CA -0.387 55.511 56.048 -0.249 0.000 1.408 181 H CB 0.478 30.101 29.762 -0.232 0.000 1.406 181 H HN 0.948 nan 8.280 nan 0.000 0.576 182 G N 4.719 113.698 108.800 0.298 0.000 3.197 182 G HA2 -0.120 3.840 3.960 0.001 0.000 0.257 182 G HA3 -0.120 3.840 3.960 0.001 0.000 0.257 182 G C 0.921 175.696 174.900 -0.208 0.000 0.835 182 G CA 0.064 45.299 45.100 0.225 0.000 2.001 182 G HN 0.860 nan 8.290 nan 0.000 0.625 183 D N 1.019 121.075 120.400 -0.573 0.000 2.117 183 D HA -0.115 4.526 4.640 0.001 0.000 0.198 183 D C 2.235 178.382 176.300 -0.255 0.000 0.982 183 D CA 1.166 54.766 54.000 -0.665 0.000 0.828 183 D CB -0.800 39.642 40.800 -0.596 0.000 0.967 183 D HN 0.260 nan 8.370 nan 0.000 0.464 184 G N 0.741 109.459 108.800 -0.137 0.000 2.418 184 G HA2 -0.186 3.775 3.960 0.001 0.000 0.217 184 G HA3 -0.186 3.775 3.960 0.001 0.000 0.217 184 G C 1.878 176.699 174.900 -0.133 0.000 1.158 184 G CA 1.364 46.430 45.100 -0.057 0.000 0.771 184 G HN 0.318 nan 8.290 nan 0.000 0.545 185 V N 0.588 120.396 119.914 -0.176 0.000 2.323 185 V HA -0.115 4.005 4.120 0.001 0.000 0.244 185 V C 2.513 178.544 176.094 -0.103 0.000 1.041 185 V CA 2.063 64.204 62.300 -0.265 0.000 1.025 185 V CB -0.405 31.076 31.823 -0.569 0.000 0.656 185 V HN 0.572 nan 8.190 nan 0.000 0.451 186 E N 0.490 120.671 120.200 -0.032 0.000 2.049 186 E HA -0.311 4.040 4.350 0.001 0.000 0.198 186 E C 1.859 178.466 176.600 0.011 0.000 1.007 186 E CA 1.999 58.432 56.400 0.056 0.000 0.809 186 E CB -0.133 29.625 29.700 0.096 0.000 0.749 186 E HN 0.598 nan 8.360 nan 0.000 0.450 187 D N 0.186 120.559 120.400 -0.044 0.000 2.117 187 D HA -0.144 4.496 4.640 0.001 0.000 0.197 187 D C 1.870 178.147 176.300 -0.038 0.000 0.987 187 D CA 1.364 55.349 54.000 -0.026 0.000 0.829 187 D CB -0.496 40.297 40.800 -0.011 0.000 0.961 187 D HN 0.337 nan 8.370 nan 0.000 0.460 188 A N 0.002 122.716 122.820 -0.177 0.000 1.948 188 A HA -0.165 4.155 4.320 0.001 0.000 0.220 188 A C 1.564 178.800 177.584 -0.581 0.000 1.177 188 A CA 1.141 52.912 52.037 -0.442 0.000 0.636 188 A CB -0.733 17.634 19.000 -1.055 0.000 0.815 188 A HN 0.277 nan 8.150 nan 0.000 0.449 189 F N -0.253 119.685 119.950 -0.019 0.000 2.668 189 F HA 0.101 4.629 4.527 0.000 0.000 0.301 189 F C 2.049 177.860 175.800 0.019 0.000 1.106 189 F CA 0.278 58.282 58.000 0.006 0.000 1.289 189 F CB 0.340 39.318 39.000 -0.035 0.000 1.006 189 F HN 0.235 nan 8.300 nan 0.000 0.535 190 S N -0.416 115.343 115.700 0.098 0.000 2.399 190 S HA -0.188 4.283 4.470 0.001 0.000 0.231 190 S C 1.484 175.979 174.600 -0.175 0.000 1.022 190 S CA 1.094 59.249 58.200 -0.076 0.000 0.983 190 S CB -0.696 62.361 63.200 -0.239 0.000 0.803 190 S HN 0.348 nan 8.310 nan 0.000 0.480 191 F N 1.849 121.833 119.950 0.057 0.000 2.789 191 F HA 0.335 4.863 4.527 0.001 0.000 0.300 191 F C 1.473 177.292 175.800 0.030 0.000 1.132 191 F CA 0.212 58.234 58.000 0.036 0.000 1.404 191 F CB 0.026 39.040 39.000 0.024 0.000 1.114 191 F HN 0.174 nan 8.300 nan 0.000 0.584 192 T N -1.238 113.424 114.554 0.180 0.000 2.918 192 T HA 0.325 4.675 4.350 0.001 0.000 0.286 192 T C 0.931 175.598 174.700 -0.055 0.000 1.026 192 T CA -0.250 61.903 62.100 0.089 0.000 1.031 192 T CB 1.346 70.307 68.868 0.156 0.000 1.046 192 T HN 0.055 nan 8.240 nan 0.000 0.479 193 S N 2.441 118.005 115.700 -0.226 0.000 2.539 193 S HA 0.226 4.696 4.470 0.001 0.000 0.221 193 S C 1.319 175.834 174.600 -0.141 0.000 0.987 193 S CA -0.475 57.357 58.200 -0.612 0.000 0.929 193 S CB 0.003 62.617 63.200 -0.976 0.000 0.832 193 S HN 0.687 nan 8.310 nan 0.000 0.492 194 K N 1.123 121.516 120.400 -0.012 0.000 2.296 194 K HA 0.171 4.491 4.320 0.001 0.000 0.200 194 K C -0.150 176.540 176.600 0.152 0.000 1.048 194 K CA 0.507 56.836 56.287 0.071 0.000 0.966 194 K CB 0.116 32.632 32.500 0.027 0.000 0.754 194 K HN 0.309 nan 8.250 nan 0.000 0.466 195 V N 2.238 122.183 119.914 0.053 0.000 2.443 195 V HA 0.286 4.406 4.120 0.001 0.000 0.293 195 V C -0.577 175.467 176.094 -0.084 0.000 1.021 195 V CA -0.637 61.612 62.300 -0.085 0.000 0.848 195 V CB 1.719 33.174 31.823 -0.612 0.000 0.998 195 V HN 0.135 nan 8.190 nan 0.000 0.424 196 M N 5.092 124.533 119.600 -0.266 0.000 2.157 196 M HA 0.540 5.020 4.480 0.001 0.000 0.354 196 M C 0.110 176.338 176.300 -0.121 0.000 1.170 196 M CA -0.126 54.939 55.300 -0.392 0.000 1.060 196 M CB 1.449 33.376 32.600 -1.122 0.000 1.615 196 M HN 0.847 nan 8.290 nan 0.000 0.460 197 T N 2.242 116.808 114.554 0.019 0.000 2.824 197 T HA 0.689 5.040 4.350 0.001 0.000 0.280 197 T C -0.656 174.121 174.700 0.128 0.000 0.995 197 T CA -0.818 61.392 62.100 0.185 0.000 1.009 197 T CB 1.377 70.409 68.868 0.274 0.000 0.955 197 T HN 0.447 nan 8.240 nan 0.000 0.452 198 V N 2.610 122.604 119.914 0.133 0.000 2.483 198 V HA 0.685 4.805 4.120 0.001 0.000 0.297 198 V C -0.173 175.992 176.094 0.119 0.000 1.027 198 V CA -0.733 61.624 62.300 0.095 0.000 0.855 198 V CB 1.686 33.546 31.823 0.061 0.000 0.995 198 V HN 1.082 nan 8.190 nan 0.000 0.424 199 S N 5.123 120.927 115.700 0.174 0.000 2.561 199 S HA 0.800 5.270 4.470 0.001 0.000 0.303 199 S C -1.169 173.662 174.600 0.384 0.000 1.110 199 S CA -0.458 57.890 58.200 0.248 0.000 1.034 199 S CB 1.074 64.401 63.200 0.212 0.000 1.010 199 S HN 0.476 nan 8.310 nan 0.000 0.482 200 L N 7.473 128.918 121.223 0.370 0.000 2.272 200 L HA 0.648 4.988 4.340 0.001 0.000 0.289 200 L C 0.048 177.245 176.870 0.546 0.000 1.032 200 L CA -0.067 54.959 54.840 0.311 0.000 0.810 200 L CB 1.131 43.256 42.059 0.109 0.000 1.205 200 L HN 0.767 nan 8.230 nan 0.000 0.422 201 H N 1.366 120.604 119.070 0.281 0.000 3.003 201 H HA 0.306 4.862 4.556 0.001 0.000 0.327 201 H C -1.117 174.420 175.328 0.347 0.000 1.353 201 H CA -1.264 54.975 56.048 0.318 0.000 1.142 201 H CB 1.120 31.067 29.762 0.309 0.000 1.864 201 H HN 0.391 nan 8.280 nan 0.000 0.529 202 K N 1.051 121.572 120.400 0.201 0.000 2.416 202 K HA 0.239 4.560 4.320 0.001 0.000 0.283 202 K C -1.416 175.319 176.600 0.225 0.000 1.037 202 K CA -0.134 56.189 56.287 0.060 0.000 0.995 202 K CB 0.184 32.364 32.500 -0.535 0.000 0.938 202 K HN 0.447 nan 8.250 nan 0.000 0.475 203 F N 3.667 123.619 119.950 0.004 0.000 2.553 203 F HA 0.338 4.865 4.527 0.000 0.000 0.335 203 F C -1.182 174.637 175.800 0.032 0.000 1.148 203 F CA -0.256 57.776 58.000 0.053 0.000 0.963 203 F CB 1.678 40.644 39.000 -0.056 0.000 1.217 203 F HN 0.454 nan 8.300 nan 0.000 0.441 204 S N 6.941 122.466 115.700 -0.291 0.000 2.649 204 S HA 0.466 4.937 4.470 0.001 0.000 0.274 204 S C -2.891 171.565 174.600 -0.240 0.000 1.176 204 S CA -1.209 56.861 58.200 -0.216 0.000 0.988 204 S CB 1.413 64.561 63.200 -0.086 0.000 1.071 204 S HN 0.375 nan 8.310 nan 0.000 0.478 205 P HA 0.261 nan 4.420 nan 0.000 0.258 205 P C 0.891 178.159 177.300 -0.053 0.000 1.172 205 P CA 1.386 64.379 63.100 -0.179 0.000 0.762 205 P CB 0.337 31.967 31.700 -0.117 0.000 0.764 206 G N 2.420 111.208 108.800 -0.020 0.000 2.253 206 G HA2 -0.231 3.730 3.960 0.001 0.000 0.209 206 G HA3 -0.231 3.730 3.960 0.001 0.000 0.209 206 G C -0.230 174.738 174.900 0.112 0.000 0.997 206 G CA -0.620 44.506 45.100 0.043 0.000 0.640 206 G HN 0.504 nan 8.290 nan 0.000 0.496 207 F N 2.197 122.129 119.950 -0.030 0.000 2.415 207 F HA 0.728 5.255 4.527 0.001 0.000 0.348 207 F C 0.391 176.249 175.800 0.097 0.000 1.119 207 F CA -1.972 56.059 58.000 0.052 0.000 1.069 207 F CB 0.609 39.630 39.000 0.036 0.000 1.124 207 F HN 0.137 nan 8.300 nan 0.000 0.472 208 F N 8.978 128.596 119.950 -0.554 0.000 2.607 208 F HA 0.217 4.745 4.527 0.000 0.000 0.374 208 F C -1.568 174.137 175.800 -0.159 0.000 1.104 208 F CA -1.328 56.435 58.000 -0.395 0.000 1.296 208 F CB 0.728 39.400 39.000 -0.547 0.000 1.085 208 F HN 0.378 nan 8.300 nan 0.000 0.584 209 P HA 0.221 nan 4.420 nan 0.000 0.263 209 P C 0.554 177.620 177.300 -0.390 0.000 1.448 209 P CA 0.794 63.181 63.100 -1.190 0.000 0.983 209 P CB 0.440 31.294 31.700 -1.410 0.000 1.481 210 G N -0.015 108.706 108.800 -0.130 0.000 2.159 210 G HA2 -0.212 3.748 3.960 0.001 0.000 0.256 210 G HA3 -0.212 3.748 3.960 0.001 0.000 0.256 210 G C 0.261 175.231 174.900 0.116 0.000 0.977 210 G CA 0.508 45.574 45.100 -0.057 0.000 0.652 210 G HN 0.616 nan 8.290 nan 0.000 0.531 211 T N -3.111 111.604 114.554 0.268 0.000 2.940 211 T HA 0.770 5.120 4.350 0.001 0.000 0.288 211 T C 0.995 176.037 174.700 0.569 0.000 1.045 211 T CA 0.211 62.572 62.100 0.434 0.000 1.018 211 T CB 2.072 71.125 68.868 0.309 0.000 1.151 211 T HN 2.080 nan 8.240 nan 0.000 0.529 212 G N 0.828 109.752 108.800 0.207 0.000 2.270 212 G HA2 -0.110 3.850 3.960 0.001 0.000 0.224 212 G HA3 -0.110 3.850 3.960 0.001 0.000 0.224 212 G C -0.396 174.264 174.900 -0.400 0.000 1.079 212 G CA -0.220 44.699 45.100 -0.301 0.000 0.807 212 G HN 0.986 nan 8.290 nan 0.000 0.492 213 D N -0.764 119.251 120.400 -0.643 0.000 2.360 213 D HA 0.296 4.936 4.640 0.001 0.000 0.242 213 D C 1.657 177.613 176.300 -0.573 0.000 1.184 213 D CA 0.141 53.513 54.000 -1.047 0.000 0.930 213 D CB 1.627 41.966 40.800 -0.769 0.000 1.161 213 D HN 0.234 nan 8.370 nan 0.000 0.447 214 V N 2.179 121.747 119.914 -0.576 0.000 2.688 214 V HA -0.222 3.898 4.120 0.001 0.000 0.256 214 V C 1.909 177.713 176.094 -0.483 0.000 1.084 214 V CA 2.727 64.741 62.300 -0.477 0.000 1.103 214 V CB -0.407 31.092 31.823 -0.539 0.000 0.688 214 V HN 0.634 nan 8.190 nan 0.000 0.480 215 S N -1.614 113.806 115.700 -0.468 0.000 2.558 215 S HA 0.062 4.532 4.470 0.001 0.000 0.217 215 S C 0.521 175.079 174.600 -0.071 0.000 0.975 215 S CA -0.129 57.928 58.200 -0.237 0.000 0.912 215 S CB -0.227 62.868 63.200 -0.175 0.000 0.776 215 S HN 0.607 nan 8.310 nan 0.000 0.526 216 D N 2.688 123.020 120.400 -0.114 0.000 2.338 216 D HA 0.245 4.885 4.640 0.001 0.000 0.255 216 D C 0.897 177.174 176.300 -0.037 0.000 1.237 216 D CA 0.086 54.050 54.000 -0.060 0.000 0.883 216 D CB 1.654 42.429 40.800 -0.041 0.000 1.087 216 D HN 0.322 nan 8.370 nan 0.000 0.485 217 V N -0.022 119.860 119.914 -0.054 0.000 3.346 217 V HA 0.527 4.647 4.120 0.001 0.000 0.309 217 V C 0.802 176.833 176.094 -0.105 0.000 1.457 217 V CA 0.311 62.575 62.300 -0.061 0.000 1.069 217 V CB -0.027 31.735 31.823 -0.103 0.000 0.944 217 V HN 0.678 nan 8.190 nan 0.000 0.449 218 G N 0.741 109.473 108.800 -0.113 0.000 2.685 218 G HA2 0.134 4.094 3.960 0.001 0.000 0.387 218 G HA3 0.134 4.094 3.960 0.001 0.000 0.387 218 G C -1.557 173.191 174.900 -0.254 0.000 1.324 218 G CA -0.170 44.836 45.100 -0.157 0.000 0.878 218 G HN 0.561 nan 8.290 nan 0.000 0.527 219 L N 0.788 121.795 121.223 -0.359 0.000 2.434 219 L HA 0.817 5.157 4.340 0.001 0.000 0.260 219 L C 1.374 178.069 176.870 -0.291 0.000 0.983 219 L CA 1.346 55.932 54.840 -0.424 0.000 0.820 219 L CB 1.119 42.693 42.059 -0.808 0.000 1.361 219 L HN 2.759 nan 8.230 nan 0.000 0.410 220 G N 2.618 111.377 108.800 -0.069 0.000 2.583 220 G HA2 -0.354 3.606 3.960 0.001 0.000 0.292 220 G HA3 -0.354 3.606 3.960 0.001 0.000 0.292 220 G C 0.892 175.845 174.900 0.089 0.000 1.203 220 G CA 0.559 45.730 45.100 0.119 0.000 0.987 220 G HN 0.633 nan 8.290 nan 0.000 0.554 221 K N 1.273 121.759 120.400 0.142 0.000 2.362 221 K HA 0.097 4.418 4.320 0.001 0.000 0.200 221 K C 2.405 179.033 176.600 0.047 0.000 1.046 221 K CA 0.974 57.315 56.287 0.090 0.000 0.952 221 K CB -0.303 32.245 32.500 0.079 0.000 0.753 221 K HN 0.586 nan 8.250 nan 0.000 0.466 222 G N 1.020 109.847 108.800 0.045 0.000 3.088 222 G HA2 -0.088 3.872 3.960 0.001 0.000 0.212 222 G HA3 -0.088 3.872 3.960 0.001 0.000 0.212 222 G C 0.171 175.153 174.900 0.136 0.000 1.173 222 G CA -0.438 44.691 45.100 0.047 0.000 0.779 222 G HN 0.139 nan 8.290 nan 0.000 0.540 223 R N -0.176 120.351 120.500 0.045 0.000 2.502 223 R HA 0.086 4.426 4.340 0.001 0.000 0.292 223 R C 0.005 176.286 176.300 -0.032 0.000 0.998 223 R CA 0.228 56.230 56.100 -0.163 0.000 1.056 223 R CB -0.274 29.839 30.300 -0.312 0.000 0.939 223 R HN 0.478 nan 8.270 nan 0.000 0.411 224 Y N 0.930 121.248 120.300 0.031 0.000 4.936 224 Y HA -0.332 4.218 4.550 0.000 0.000 0.260 224 Y C -0.214 175.541 175.900 -0.242 0.000 0.928 224 Y CA 0.722 58.769 58.100 -0.089 0.000 1.869 224 Y CB -1.965 36.414 38.460 -0.135 0.000 1.344 224 Y HN 0.676 nan 8.280 nan 0.000 0.521 225 Y N -0.189 120.140 120.300 0.048 0.000 2.658 225 Y HA 0.505 5.056 4.550 0.001 0.000 0.276 225 Y C 0.510 176.372 175.900 -0.063 0.000 1.167 225 Y CA 0.011 58.089 58.100 -0.038 0.000 1.230 225 Y CB 0.957 39.406 38.460 -0.018 0.000 1.144 225 Y HN -0.060 nan 8.280 nan 0.000 0.529 226 S N 0.234 115.972 115.700 0.063 0.000 2.521 226 S HA 0.706 5.176 4.470 0.001 0.000 0.295 226 S C -0.842 173.781 174.600 0.038 0.000 1.098 226 S CA -0.706 57.526 58.200 0.053 0.000 0.999 226 S CB 2.161 65.396 63.200 0.059 0.000 1.034 226 S HN -0.138 nan 8.310 nan 0.000 0.483 227 V N 3.973 123.915 119.914 0.046 0.000 2.531 227 V HA 0.551 4.671 4.120 0.001 0.000 0.301 227 V C -0.807 175.318 176.094 0.051 0.000 1.034 227 V CA -0.806 61.516 62.300 0.036 0.000 0.865 227 V CB 1.898 33.734 31.823 0.021 0.000 0.995 227 V HN 0.809 nan 8.190 nan 0.000 0.424 228 N N 2.797 121.503 118.700 0.010 0.000 2.295 228 N HA 0.567 5.307 4.740 0.001 0.000 0.293 228 N C -1.203 174.255 175.510 -0.088 0.000 1.040 228 N CA -0.334 52.725 53.050 0.015 0.000 0.840 228 N CB 2.744 41.190 38.487 -0.069 0.000 1.468 228 N HN 0.380 nan 8.380 nan 0.000 0.478 229 V N 3.458 123.316 119.914 -0.092 0.000 2.289 229 V HA 0.313 4.434 4.120 0.001 0.000 0.272 229 V C -2.186 173.703 176.094 -0.342 0.000 1.026 229 V CA -1.514 60.673 62.300 -0.188 0.000 0.807 229 V CB 1.200 32.944 31.823 -0.131 0.000 1.044 229 V HN 0.478 nan 8.190 nan 0.000 0.443 230 P HA 0.440 nan 4.420 nan 0.000 0.282 230 P C -0.665 176.547 177.300 -0.145 0.000 1.274 230 P CA 0.113 63.007 63.100 -0.344 0.000 0.770 230 P CB 1.448 32.911 31.700 -0.394 0.000 0.867 231 I N 2.774 123.322 120.570 -0.037 0.000 2.689 231 I HA 0.285 4.455 4.170 0.001 0.000 0.299 231 I C 0.380 176.565 176.117 0.113 0.000 1.059 231 I CA -1.041 60.258 61.300 -0.002 0.000 1.055 231 I CB 2.408 40.379 38.000 -0.048 0.000 1.243 231 I HN 0.166 nan 8.210 nan 0.000 0.425 232 Q N 2.720 122.541 119.800 0.034 0.000 2.180 232 Q HA 0.323 4.663 4.340 0.001 0.000 0.241 232 Q C -0.993 175.065 176.000 0.096 0.000 0.970 232 Q CA -0.800 55.039 55.803 0.060 0.000 0.919 232 Q CB 0.923 29.665 28.738 0.007 0.000 1.222 232 Q HN 0.398 nan 8.270 nan 0.000 0.482 233 D N -0.061 120.396 120.400 0.095 0.000 2.478 233 D HA 0.192 4.833 4.640 0.001 0.000 0.234 233 D C 1.007 177.338 176.300 0.051 0.000 1.154 233 D CA 1.709 55.781 54.000 0.121 0.000 0.874 233 D CB 0.387 41.212 40.800 0.040 0.000 1.198 233 D HN 0.761 nan 8.370 nan 0.000 0.455 234 G N 1.255 110.096 108.800 0.068 0.000 2.176 234 G HA2 -0.281 3.679 3.960 0.001 0.000 0.232 234 G HA3 -0.281 3.679 3.960 0.001 0.000 0.232 234 G C 0.506 175.373 174.900 -0.055 0.000 0.986 234 G CA -0.064 45.040 45.100 0.007 0.000 0.643 234 G HN 0.560 nan 8.290 nan 0.000 0.522 235 I N 1.335 121.812 120.570 -0.155 0.000 2.648 235 I HA 0.401 4.572 4.170 0.001 0.000 0.284 235 I C 0.638 176.677 176.117 -0.130 0.000 1.153 235 I CA 0.188 61.362 61.300 -0.210 0.000 1.426 235 I CB 0.472 38.218 38.000 -0.423 0.000 1.381 235 I HN 0.341 nan 8.210 nan 0.000 0.571 236 Q N 4.573 124.328 119.800 -0.076 0.000 2.418 236 Q HA 0.219 4.559 4.340 0.001 0.000 0.276 236 Q C 0.175 176.165 176.000 -0.018 0.000 1.081 236 Q CA -0.926 54.847 55.803 -0.050 0.000 0.864 236 Q CB 1.217 29.931 28.738 -0.041 0.000 1.384 236 Q HN 0.584 nan 8.270 nan 0.000 0.467 237 D N 0.839 121.223 120.400 -0.026 0.000 2.116 237 D HA -0.207 4.433 4.640 0.001 0.000 0.193 237 D C 1.516 177.862 176.300 0.076 0.000 0.998 237 D CA 1.589 55.590 54.000 0.001 0.000 0.836 237 D CB 0.246 41.022 40.800 -0.039 0.000 0.951 237 D HN 0.446 nan 8.370 nan 0.000 0.449 238 E N 0.830 121.058 120.200 0.045 0.000 2.072 238 E HA -0.098 4.252 4.350 0.001 0.000 0.190 238 E C 1.843 178.500 176.600 0.095 0.000 0.982 238 E CA 0.947 57.392 56.400 0.074 0.000 0.803 238 E CB -0.116 29.605 29.700 0.033 0.000 0.755 238 E HN 0.170 nan 8.360 nan 0.000 0.453 239 K N -1.064 119.362 120.400 0.043 0.000 2.155 239 K HA -0.156 4.164 4.320 0.001 0.000 0.203 239 K C 2.162 178.760 176.600 -0.004 0.000 1.052 239 K CA 0.880 57.165 56.287 -0.002 0.000 0.948 239 K CB -0.255 32.220 32.500 -0.042 0.000 0.728 239 K HN 0.164 nan 8.250 nan 0.000 0.448 240 Y N 0.292 120.545 120.300 -0.078 0.000 2.145 240 Y HA -0.320 4.231 4.550 0.000 0.000 0.286 240 Y C 2.132 178.007 175.900 -0.042 0.000 1.145 240 Y CA 2.063 60.111 58.100 -0.088 0.000 1.148 240 Y CB -0.545 37.868 38.460 -0.079 0.000 0.981 240 Y HN 0.164 nan 8.280 nan 0.000 0.507 241 Y N 0.831 121.215 120.300 0.140 0.000 2.145 241 Y HA -0.328 4.222 4.550 0.000 0.000 0.286 241 Y C 2.530 178.374 175.900 -0.092 0.000 1.145 241 Y CA 2.203 60.326 58.100 0.039 0.000 1.148 241 Y CB -0.461 38.015 38.460 0.027 0.000 0.981 241 Y HN 0.229 nan 8.280 nan 0.000 0.507 242 Q N -0.406 119.314 119.800 -0.134 0.000 2.077 242 Q HA -0.239 4.102 4.340 0.001 0.000 0.206 242 Q C 2.007 177.823 176.000 -0.306 0.000 0.989 242 Q CA 1.966 57.634 55.803 -0.225 0.000 0.853 242 Q CB -0.191 28.491 28.738 -0.094 0.000 0.907 242 Q HN 0.470 nan 8.270 nan 0.000 0.418 243 I N -0.046 120.355 120.570 -0.282 0.000 2.202 243 I HA -0.259 3.911 4.170 0.001 0.000 0.242 243 I C 2.524 178.435 176.117 -0.344 0.000 1.091 243 I CA 0.710 61.832 61.300 -0.296 0.000 1.368 243 I CB -1.631 36.169 38.000 -0.334 0.000 1.058 243 I HN 0.370 nan 8.210 nan 0.000 0.410 244 C N 0.871 119.916 119.300 -0.426 0.000 2.473 244 C HA -0.157 4.303 4.460 0.001 0.000 0.279 244 C C 2.898 177.638 174.990 -0.416 0.000 1.250 244 C CA 1.092 59.889 59.018 -0.367 0.000 1.713 244 C CB -0.900 26.674 27.740 -0.278 0.000 2.066 244 C HN 0.561 nan 8.230 nan 0.000 0.474 245 E N 0.131 119.886 120.200 -0.740 0.000 2.086 245 E HA -0.252 4.098 4.350 0.001 0.000 0.200 245 E C 2.265 178.541 176.600 -0.540 0.000 1.012 245 E CA 1.851 57.666 56.400 -0.976 0.000 0.812 245 E CB -0.455 28.446 29.700 -1.332 0.000 0.743 245 E HN 0.676 nan 8.360 nan 0.000 0.453 246 S N -0.536 114.934 115.700 -0.383 0.000 2.368 246 S HA -0.116 4.354 4.470 0.001 0.000 0.225 246 S C 2.104 176.638 174.600 -0.111 0.000 1.030 246 S CA 1.359 59.436 58.200 -0.204 0.000 0.999 246 S CB -0.167 62.928 63.200 -0.175 0.000 0.844 246 S HN 0.210 nan 8.310 nan 0.000 0.459 247 V N 2.007 121.851 119.914 -0.117 0.000 2.358 247 V HA -0.069 4.051 4.120 0.001 0.000 0.246 247 V C 2.424 178.545 176.094 0.045 0.000 1.047 247 V CA 1.609 63.885 62.300 -0.041 0.000 1.035 247 V CB -0.591 31.197 31.823 -0.059 0.000 0.658 247 V HN 0.483 nan 8.190 nan 0.000 0.452 248 L N -0.185 121.082 121.223 0.072 0.000 2.093 248 L HA -0.198 4.142 4.340 0.001 0.000 0.208 248 L C 2.544 179.681 176.870 0.446 0.000 1.085 248 L CA 1.867 56.890 54.840 0.305 0.000 0.755 248 L CB -0.653 41.632 42.059 0.377 0.000 0.904 248 L HN 0.343 nan 8.230 nan 0.000 0.435 249 K N 0.482 121.079 120.400 0.328 0.000 2.001 249 K HA -0.230 4.090 4.320 0.001 0.000 0.214 249 K C 2.023 178.770 176.600 0.245 0.000 1.050 249 K CA 1.697 58.193 56.287 0.347 0.000 0.934 249 K CB 0.016 32.628 32.500 0.187 0.000 0.718 249 K HN 0.185 nan 8.250 nan 0.000 0.443 250 E N 0.190 120.474 120.200 0.140 0.000 2.110 250 E HA -0.153 4.198 4.350 0.001 0.000 0.193 250 E C 2.172 178.827 176.600 0.092 0.000 0.988 250 E CA 1.210 57.663 56.400 0.087 0.000 0.804 250 E CB -0.191 29.532 29.700 0.038 0.000 0.745 250 E HN 0.213 nan 8.360 nan 0.000 0.458 251 V N 0.704 120.694 119.914 0.126 0.000 2.307 251 V HA -0.244 3.877 4.120 0.001 0.000 0.245 251 V C 2.189 178.348 176.094 0.107 0.000 1.045 251 V CA 1.622 63.985 62.300 0.106 0.000 1.024 251 V CB -0.617 31.277 31.823 0.118 0.000 0.651 251 V HN 0.212 nan 8.190 nan 0.000 0.449 252 Y N 0.786 121.072 120.300 -0.024 0.000 2.181 252 Y HA -0.308 4.242 4.550 0.000 0.000 0.288 252 Y C 2.646 178.461 175.900 -0.141 0.000 1.146 252 Y CA 2.255 60.203 58.100 -0.254 0.000 1.164 252 Y CB -0.129 38.066 38.460 -0.442 0.000 0.982 252 Y HN 0.252 nan 8.280 nan 0.000 0.515 253 Q N -0.504 119.328 119.800 0.053 0.000 2.119 253 Q HA -0.095 4.245 4.340 0.001 0.000 0.201 253 Q C 2.364 178.324 176.000 -0.067 0.000 0.972 253 Q CA 1.672 57.468 55.803 -0.010 0.000 0.847 253 Q CB -0.299 28.479 28.738 0.067 0.000 0.903 253 Q HN 0.580 nan 8.270 nan 0.000 0.433 254 A N -1.025 121.783 122.820 -0.021 0.000 1.898 254 A HA -0.072 4.249 4.320 0.001 0.000 0.214 254 A C 1.628 179.235 177.584 0.037 0.000 1.183 254 A CA 0.866 52.899 52.037 -0.005 0.000 0.622 254 A CB -0.305 18.695 19.000 0.001 0.000 0.824 254 A HN 0.476 nan 8.150 nan 0.000 0.444 255 F N -0.179 119.680 119.950 -0.152 0.000 2.622 255 F HA 0.264 4.791 4.527 0.001 0.000 0.288 255 F C 0.674 176.353 175.800 -0.202 0.000 1.120 255 F CA 0.218 58.149 58.000 -0.115 0.000 1.423 255 F CB -0.032 38.926 39.000 -0.070 0.000 1.127 255 F HN 0.387 nan 8.300 nan 0.000 0.588 256 N N 1.860 120.318 118.700 -0.404 0.000 2.667 256 N HA -0.139 4.601 4.740 0.001 0.000 0.263 256 N C -2.607 172.568 175.510 -0.558 0.000 1.038 256 N CA -0.026 52.640 53.050 -0.640 0.000 0.749 256 N CB -0.433 37.770 38.487 -0.472 0.000 0.892 256 N HN 0.098 nan 8.380 nan 0.000 0.546 257 P HA 0.088 nan 4.420 nan 0.000 0.274 257 P C -0.025 177.169 177.300 -0.177 0.000 1.231 257 P CA -0.144 62.821 63.100 -0.224 0.000 0.790 257 P CB 0.837 32.561 31.700 0.039 0.000 0.951 258 K N -0.048 120.291 120.400 -0.101 0.000 2.355 258 K HA 0.449 4.770 4.320 0.001 0.000 0.198 258 K C 0.504 176.972 176.600 -0.220 0.000 1.039 258 K CA 0.018 56.288 56.287 -0.029 0.000 1.075 258 K CB 0.817 33.416 32.500 0.164 0.000 0.870 258 K HN 0.595 nan 8.250 nan 0.000 0.540 259 A N 0.303 122.950 122.820 -0.289 0.000 2.606 259 A HA 0.653 4.974 4.320 0.001 0.000 0.293 259 A C -1.386 176.108 177.584 -0.149 0.000 1.082 259 A CA -0.582 51.176 52.037 -0.465 0.000 0.685 259 A CB 1.727 20.102 19.000 -1.042 0.000 1.284 259 A HN -0.130 nan 8.150 nan 0.000 0.408 260 V N 0.883 120.743 119.914 -0.091 0.000 2.686 260 V HA 0.540 4.660 4.120 0.001 0.000 0.306 260 V C -0.704 175.390 176.094 0.000 0.000 1.065 260 V CA -0.603 61.719 62.300 0.036 0.000 0.894 260 V CB 1.800 33.714 31.823 0.152 0.000 1.004 260 V HN 0.773 nan 8.190 nan 0.000 0.424 261 V N 5.651 125.591 119.914 0.044 0.000 2.370 261 V HA 0.517 4.638 4.120 0.001 0.000 0.283 261 V C -0.525 175.559 176.094 -0.015 0.000 1.023 261 V CA -0.530 61.801 62.300 0.053 0.000 0.857 261 V CB 1.564 33.494 31.823 0.178 0.000 0.985 261 V HN 0.634 nan 8.190 nan 0.000 0.443 262 L N 4.863 126.043 121.223 -0.071 0.000 2.319 262 L HA 0.531 4.872 4.340 0.001 0.000 0.281 262 L C -0.362 176.423 176.870 -0.142 0.000 1.005 262 L CA 0.113 54.878 54.840 -0.125 0.000 0.828 262 L CB 1.571 43.584 42.059 -0.076 0.000 1.227 262 L HN 0.663 nan 8.230 nan 0.000 0.415 263 Q N 5.254 124.935 119.800 -0.198 0.000 2.290 263 Q HA 0.422 4.763 4.340 0.001 0.000 0.259 263 Q C -1.095 174.862 176.000 -0.072 0.000 0.941 263 Q CA -0.302 55.407 55.803 -0.155 0.000 0.912 263 Q CB 1.449 30.079 28.738 -0.180 0.000 1.244 263 Q HN 0.850 nan 8.270 nan 0.000 0.441 264 L N 3.232 124.453 121.223 -0.003 0.000 3.186 264 L HA 0.346 4.686 4.340 0.001 0.000 0.292 264 L C 0.817 177.887 176.870 0.333 0.000 1.303 264 L CA -0.712 54.226 54.840 0.163 0.000 0.940 264 L CB 0.993 43.203 42.059 0.252 0.000 1.358 264 L HN 0.654 nan 8.230 nan 0.000 0.581 265 G N 0.406 109.330 108.800 0.207 0.000 2.178 265 G HA2 0.142 4.103 3.960 0.001 0.000 0.244 265 G HA3 0.142 4.103 3.960 0.001 0.000 0.244 265 G C 0.893 175.944 174.900 0.252 0.000 1.213 265 G CA 0.404 45.677 45.100 0.288 0.000 0.912 265 G HN 0.512 nan 8.290 nan 0.000 0.474 266 A N 2.201 125.111 122.820 0.151 0.000 2.327 266 A HA 0.195 4.515 4.320 0.001 0.000 0.228 266 A C 1.576 179.085 177.584 -0.124 0.000 1.275 266 A CA 0.762 52.728 52.037 -0.117 0.000 0.875 266 A CB -0.026 18.636 19.000 -0.565 0.000 0.925 266 A HN 0.662 nan 8.150 nan 0.000 0.493 267 D N -0.808 119.575 120.400 -0.028 0.000 2.363 267 D HA -0.102 4.539 4.640 0.001 0.000 0.226 267 D C 1.286 177.598 176.300 0.019 0.000 1.020 267 D CA 1.196 55.218 54.000 0.037 0.000 0.892 267 D CB -0.909 40.027 40.800 0.227 0.000 0.900 267 D HN 0.369 nan 8.370 nan 0.000 0.531 268 T N -2.502 112.056 114.554 0.007 0.000 3.100 268 T HA 0.131 4.481 4.350 0.001 0.000 0.253 268 T C 0.904 175.634 174.700 0.050 0.000 1.118 268 T CA -0.371 61.756 62.100 0.044 0.000 1.058 268 T CB -0.037 68.909 68.868 0.130 0.000 0.953 268 T HN -0.026 nan 8.240 nan 0.000 0.515 269 I N 2.538 123.097 120.570 -0.018 0.000 2.519 269 I HA 0.490 4.660 4.170 0.001 0.000 0.287 269 I C 1.071 177.168 176.117 -0.033 0.000 1.047 269 I CA -1.469 59.799 61.300 -0.053 0.000 1.381 269 I CB 0.317 38.248 38.000 -0.114 0.000 1.417 269 I HN 0.264 nan 8.210 nan 0.000 0.540 270 A N 4.271 127.069 122.820 -0.036 0.000 2.540 270 A HA 0.415 4.735 4.320 0.001 0.000 0.239 270 A C 1.235 178.796 177.584 -0.038 0.000 1.061 270 A CA 0.717 52.739 52.037 -0.025 0.000 0.758 270 A CB -0.299 18.681 19.000 -0.035 0.000 0.991 270 A HN 1.394 nan 8.150 nan 0.000 0.502 271 G N 1.094 109.881 108.800 -0.022 0.000 2.194 271 G HA2 -0.199 3.761 3.960 0.001 0.000 0.236 271 G HA3 -0.199 3.761 3.960 0.001 0.000 0.236 271 G C 0.112 175.006 174.900 -0.011 0.000 0.987 271 G CA 0.299 45.383 45.100 -0.027 0.000 0.635 271 G HN 1.029 nan 8.290 nan 0.000 0.520 272 D N 1.465 121.870 120.400 0.009 0.000 2.389 272 D HA 0.272 4.912 4.640 0.001 0.000 0.247 272 D C -0.307 176.043 176.300 0.084 0.000 1.128 272 D CA -0.891 53.142 54.000 0.054 0.000 0.884 272 D CB 1.624 42.472 40.800 0.079 0.000 1.194 272 D HN 0.142 nan 8.370 nan 0.000 0.441 273 P HA -0.123 nan 4.420 nan 0.000 0.225 273 P C 1.543 178.911 177.300 0.113 0.000 1.148 273 P CA 0.724 63.880 63.100 0.093 0.000 0.779 273 P CB 0.165 31.918 31.700 0.089 0.000 0.780 274 M N -1.236 118.464 119.600 0.167 0.000 2.374 274 M HA -0.053 4.427 4.480 0.001 0.000 0.264 274 M C 1.222 177.602 176.300 0.133 0.000 1.067 274 M CA 0.679 56.095 55.300 0.193 0.000 1.103 274 M CB -1.502 31.266 32.600 0.279 0.000 1.402 274 M HN 0.009 nan 8.290 nan 0.000 0.444 275 C N 1.601 120.956 119.300 0.093 0.000 4.028 275 C HA -0.192 4.268 4.460 0.001 0.000 0.300 275 C C 1.547 176.566 174.990 0.047 0.000 1.399 275 C CA 0.590 59.645 59.018 0.062 0.000 2.051 275 C CB -1.953 25.820 27.740 0.055 0.000 1.318 275 C HN 0.687 nan 8.230 nan 0.000 0.696 276 S N -1.258 114.463 115.700 0.034 0.000 3.200 276 S HA 0.417 4.887 4.470 0.001 0.000 0.209 276 S C 0.533 175.242 174.600 0.182 0.000 0.869 276 S CA 0.125 58.325 58.200 0.001 0.000 0.820 276 S CB -0.071 63.001 63.200 -0.215 0.000 0.834 276 S HN 0.608 nan 8.310 nan 0.000 0.622 277 F N 2.015 121.942 119.950 -0.038 0.000 2.373 277 F HA 0.345 4.872 4.527 0.000 0.000 0.302 277 F C 1.015 176.794 175.800 -0.034 0.000 1.247 277 F CA -0.482 57.501 58.000 -0.028 0.000 1.169 277 F CB 0.359 39.349 39.000 -0.018 0.000 1.309 277 F HN 0.178 nan 8.300 nan 0.000 0.537 278 N N 1.133 119.918 118.700 0.141 0.000 2.622 278 N HA 0.148 4.888 4.740 0.001 0.000 0.304 278 N C -1.034 174.469 175.510 -0.013 0.000 1.844 278 N CA -0.099 52.975 53.050 0.039 0.000 0.886 278 N CB 0.171 38.666 38.487 0.013 0.000 1.366 278 N HN 0.322 nan 8.380 nan 0.000 0.491 279 M N 0.185 119.773 119.600 -0.019 0.000 2.368 279 M HA 0.370 4.851 4.480 0.001 0.000 0.311 279 M C 0.867 177.106 176.300 -0.102 0.000 1.168 279 M CA -0.297 54.948 55.300 -0.091 0.000 1.044 279 M CB 1.036 33.542 32.600 -0.158 0.000 1.506 279 M HN 0.278 nan 8.290 nan 0.000 0.475 280 T N -2.267 112.208 114.554 -0.132 0.000 2.942 280 T HA 0.524 4.874 4.350 0.001 0.000 0.289 280 T C -2.359 172.223 174.700 -0.196 0.000 1.044 280 T CA -1.809 60.194 62.100 -0.162 0.000 1.023 280 T CB 1.865 70.632 68.868 -0.169 0.000 1.123 280 T HN 0.295 nan 8.240 nan 0.000 0.512 281 P HA -0.041 nan 4.420 nan 0.000 0.221 281 P C 1.599 178.702 177.300 -0.329 0.000 1.145 281 P CA 0.399 63.331 63.100 -0.279 0.000 0.795 281 P CB -0.104 31.342 31.700 -0.423 0.000 0.775 282 V N -0.130 119.536 119.914 -0.413 0.000 2.307 282 V HA -0.158 3.962 4.120 0.001 0.000 0.245 282 V C 2.614 178.663 176.094 -0.075 0.000 1.045 282 V CA 2.520 64.677 62.300 -0.238 0.000 1.024 282 V CB -1.826 29.865 31.823 -0.220 0.000 0.651 282 V HN 0.163 nan 8.190 nan 0.000 0.449 283 G N 0.323 109.065 108.800 -0.096 0.000 2.418 283 G HA2 -0.194 3.766 3.960 0.001 0.000 0.217 283 G HA3 -0.194 3.766 3.960 0.001 0.000 0.217 283 G C 1.459 176.370 174.900 0.018 0.000 1.158 283 G CA 0.881 45.954 45.100 -0.046 0.000 0.771 283 G HN 0.370 nan 8.290 nan 0.000 0.545 284 I N 2.042 122.597 120.570 -0.025 0.000 2.226 284 I HA -0.081 4.089 4.170 0.001 0.000 0.245 284 I C 3.040 179.233 176.117 0.127 0.000 1.100 284 I CA 1.170 62.497 61.300 0.045 0.000 1.374 284 I CB -1.659 36.361 38.000 0.033 0.000 1.057 284 I HN 0.220 nan 8.210 nan 0.000 0.413 285 G N 1.086 109.977 108.800 0.151 0.000 2.442 285 G HA2 -0.249 3.712 3.960 0.001 0.000 0.219 285 G HA3 -0.249 3.712 3.960 0.001 0.000 0.219 285 G C 1.804 176.764 174.900 0.099 0.000 1.141 285 G CA 0.499 45.722 45.100 0.204 0.000 0.763 285 G HN 0.372 nan 8.290 nan 0.000 0.554 286 K N -0.346 120.073 120.400 0.031 0.000 2.103 286 K HA -0.029 4.291 4.320 0.001 0.000 0.204 286 K C 2.615 179.310 176.600 0.158 0.000 1.052 286 K CA 0.968 57.202 56.287 -0.089 0.000 0.945 286 K CB -0.342 31.829 32.500 -0.549 0.000 0.722 286 K HN 0.335 nan 8.250 nan 0.000 0.443 287 C N 1.066 120.544 119.300 0.295 0.000 2.413 287 C HA -0.117 4.344 4.460 0.001 0.000 0.276 287 C C 2.603 177.693 174.990 0.167 0.000 1.248 287 C CA 0.327 59.535 59.018 0.316 0.000 1.742 287 C CB -0.813 27.108 27.740 0.301 0.000 2.017 287 C HN 0.445 nan 8.230 nan 0.000 0.481 288 L N 1.509 122.802 121.223 0.118 0.000 2.027 288 L HA -0.085 4.255 4.340 0.001 0.000 0.206 288 L C 2.419 179.278 176.870 -0.018 0.000 1.074 288 L CA 1.912 56.779 54.840 0.045 0.000 0.745 288 L CB -0.811 41.293 42.059 0.075 0.000 0.898 288 L HN 0.221 nan 8.230 nan 0.000 0.433 289 K N -1.454 118.948 120.400 0.005 0.000 2.074 289 K HA -0.274 4.046 4.320 0.001 0.000 0.209 289 K C 2.176 178.725 176.600 -0.084 0.000 1.048 289 K CA 2.192 58.456 56.287 -0.038 0.000 0.926 289 K CB -0.575 31.914 32.500 -0.019 0.000 0.713 289 K HN 0.394 nan 8.250 nan 0.000 0.444 290 Y N 1.370 121.584 120.300 -0.143 0.000 2.181 290 Y HA -0.211 4.339 4.550 0.001 0.000 0.288 290 Y C 1.857 177.338 175.900 -0.699 0.000 1.146 290 Y CA 1.429 59.367 58.100 -0.271 0.000 1.164 290 Y CB -0.060 38.340 38.460 -0.100 0.000 0.982 290 Y HN -0.020 nan 8.280 nan 0.000 0.515 291 I N -0.445 119.774 120.570 -0.584 0.000 2.179 291 I HA -0.333 3.838 4.170 0.001 0.000 0.242 291 I C 2.117 177.824 176.117 -0.683 0.000 1.088 291 I CA 1.320 62.029 61.300 -0.985 0.000 1.357 291 I CB -0.401 37.334 38.000 -0.443 0.000 1.051 291 I HN 0.211 nan 8.210 nan 0.000 0.409 292 L N 0.702 121.711 121.223 -0.357 0.000 2.275 292 L HA -0.186 4.154 4.340 0.001 0.000 0.215 292 L C 2.641 179.390 176.870 -0.202 0.000 1.119 292 L CA 0.783 55.504 54.840 -0.199 0.000 0.790 292 L CB -0.657 41.328 42.059 -0.123 0.000 0.919 292 L HN 0.439 nan 8.230 nan 0.000 0.443 293 Q N -0.096 119.504 119.800 -0.333 0.000 2.364 293 Q HA -0.212 4.128 4.340 0.001 0.000 0.207 293 Q C 1.553 177.457 176.000 -0.160 0.000 0.970 293 Q CA 1.115 56.761 55.803 -0.262 0.000 0.888 293 Q CB -0.134 28.405 28.738 -0.332 0.000 0.951 293 Q HN 0.532 nan 8.270 nan 0.000 0.469 294 W N 1.176 122.318 121.300 -0.264 0.000 2.595 294 W HA 0.066 4.726 4.660 0.000 0.000 0.257 294 W C 0.423 176.888 176.519 -0.090 0.000 1.267 294 W CA 0.515 57.713 57.345 -0.246 0.000 1.300 294 W CB -0.432 28.886 29.460 -0.236 0.000 1.120 294 W HN 0.353 nan 8.180 nan 0.000 0.618 295 Q N -0.380 119.491 119.800 0.119 0.000 2.439 295 Q HA -0.203 4.137 4.340 0.001 0.000 0.325 295 Q C -0.457 175.606 176.000 0.104 0.000 1.372 295 Q CA 0.357 56.207 55.803 0.078 0.000 0.909 295 Q CB -2.057 26.712 28.738 0.053 0.000 1.167 295 Q HN 0.201 nan 8.270 nan 0.000 0.418 296 L N -0.561 120.738 121.223 0.127 0.000 2.332 296 L HA 0.770 5.111 4.340 0.001 0.000 0.269 296 L C 0.671 177.546 176.870 0.009 0.000 1.016 296 L CA -0.976 53.912 54.840 0.080 0.000 0.809 296 L CB 1.057 43.183 42.059 0.111 0.000 1.280 296 L HN 0.266 nan 8.230 nan 0.000 0.447 297 A N 0.931 123.713 122.820 -0.065 0.000 2.561 297 A HA 0.325 4.646 4.320 0.001 0.000 0.251 297 A C -0.069 177.440 177.584 -0.125 0.000 1.062 297 A CA 0.476 52.447 52.037 -0.110 0.000 0.761 297 A CB -0.543 18.324 19.000 -0.221 0.000 0.986 297 A HN 0.637 nan 8.150 nan 0.000 0.510 298 T N 3.900 118.410 114.554 -0.072 0.000 2.881 298 T HA 0.427 4.778 4.350 0.001 0.000 0.291 298 T C -0.849 173.801 174.700 -0.083 0.000 0.990 298 T CA -0.345 61.717 62.100 -0.064 0.000 0.976 298 T CB 0.991 69.835 68.868 -0.040 0.000 0.970 298 T HN 0.564 nan 8.240 nan 0.000 0.438 299 L N 5.765 126.936 121.223 -0.086 0.000 2.262 299 L HA 0.549 4.890 4.340 0.001 0.000 0.288 299 L C -0.863 175.921 176.870 -0.143 0.000 1.035 299 L CA -0.873 53.905 54.840 -0.105 0.000 0.820 299 L CB 0.048 42.065 42.059 -0.070 0.000 1.204 299 L HN 0.529 nan 8.230 nan 0.000 0.424 300 I N 6.671 127.099 120.570 -0.237 0.000 2.353 300 I HA 0.370 4.541 4.170 0.001 0.000 0.293 300 I C -0.129 175.705 176.117 -0.471 0.000 0.992 300 I CA -0.360 60.722 61.300 -0.362 0.000 1.268 300 I CB 1.274 38.962 38.000 -0.521 0.000 1.387 300 I HN 0.548 nan 8.210 nan 0.000 0.478 301 L N 4.425 125.416 121.223 -0.388 0.000 2.371 301 L HA 0.664 5.004 4.340 0.001 0.000 0.262 301 L C 0.868 177.536 176.870 -0.337 0.000 1.006 301 L CA -0.603 54.027 54.840 -0.351 0.000 0.818 301 L CB 2.096 44.030 42.059 -0.208 0.000 1.354 301 L HN 0.656 nan 8.230 nan 0.000 0.415 302 G N -0.355 108.205 108.800 -0.400 0.000 3.022 302 G HA2 0.685 4.645 3.960 0.001 0.000 0.157 302 G HA3 0.685 4.645 3.960 0.001 0.000 0.157 302 G C 0.189 174.895 174.900 -0.323 0.000 1.691 302 G CA 0.322 45.038 45.100 -0.639 0.000 1.079 302 G HN 1.007 nan 8.290 nan 0.000 0.549 303 G N -2.019 106.636 108.800 -0.242 0.000 2.384 303 G HA2 0.498 4.459 3.960 0.001 0.000 0.113 303 G HA3 0.498 4.459 3.960 0.001 0.000 0.113 303 G C 0.421 175.233 174.900 -0.145 0.000 1.224 303 G CA 0.255 45.054 45.100 -0.503 0.000 1.126 303 G HN 1.412 nan 8.290 nan 0.000 0.461 304 G N -0.800 108.037 108.800 0.061 0.000 2.684 304 G HA2 0.689 4.649 3.960 0.001 0.000 0.255 304 G HA3 0.689 4.649 3.960 0.001 0.000 0.255 304 G C 0.595 175.354 174.900 -0.235 0.000 1.219 304 G CA 0.755 45.908 45.100 0.089 0.000 0.901 304 G HN 2.248 nan 8.290 nan 0.000 0.548 305 G N -1.601 106.647 108.800 -0.920 0.000 2.400 305 G HA2 0.185 4.145 3.960 0.001 0.000 0.199 305 G HA3 0.185 4.145 3.960 0.001 0.000 0.199 305 G C -0.613 173.795 174.900 -0.820 0.000 1.383 305 G CA -0.531 44.141 45.100 -0.714 0.000 1.117 305 G HN 0.672 nan 8.290 nan 0.000 0.621 306 Y N 1.080 121.395 120.300 0.024 0.000 2.527 306 Y HA 0.352 4.902 4.550 0.000 0.000 0.247 306 Y C 1.206 177.091 175.900 -0.026 0.000 1.138 306 Y CA -0.610 57.510 58.100 0.034 0.000 1.228 306 Y CB 1.123 39.640 38.460 0.096 0.000 1.252 306 Y HN 0.487 nan 8.280 nan 0.000 0.531 307 N N 1.943 120.641 118.700 -0.003 0.000 2.462 307 N HA 0.162 4.902 4.740 0.001 0.000 0.242 307 N C 0.608 176.024 175.510 -0.156 0.000 1.010 307 N CA 0.158 53.166 53.050 -0.069 0.000 0.939 307 N CB 0.821 39.261 38.487 -0.078 0.000 1.127 307 N HN 0.330 nan 8.380 nan 0.000 0.509 308 L N 2.598 123.729 121.223 -0.153 0.000 2.027 308 L HA -0.096 4.244 4.340 0.001 0.000 0.206 308 L C 2.298 179.015 176.870 -0.256 0.000 1.074 308 L CA 1.303 56.025 54.840 -0.196 0.000 0.745 308 L CB -0.561 41.400 42.059 -0.163 0.000 0.898 308 L HN 0.538 nan 8.230 nan 0.000 0.433 309 A N 0.355 122.986 122.820 -0.315 0.000 1.933 309 A HA -0.210 4.110 4.320 0.001 0.000 0.218 309 A C 2.024 179.482 177.584 -0.211 0.000 1.175 309 A CA 1.918 53.693 52.037 -0.437 0.000 0.628 309 A CB -0.558 18.001 19.000 -0.735 0.000 0.814 309 A HN 0.409 nan 8.150 nan 0.000 0.444 310 N N -0.379 118.195 118.700 -0.210 0.000 2.188 310 N HA -0.082 4.658 4.740 0.001 0.000 0.184 310 N C 1.683 177.021 175.510 -0.287 0.000 1.018 310 N CA 1.813 54.751 53.050 -0.187 0.000 0.858 310 N CB -0.676 37.708 38.487 -0.172 0.000 0.989 310 N HN 0.480 nan 8.380 nan 0.000 0.426 311 T N 0.353 114.666 114.554 -0.401 0.000 2.777 311 T HA -0.000 4.350 4.350 0.001 0.000 0.266 311 T C 1.891 176.177 174.700 -0.689 0.000 1.040 311 T CA 1.239 62.899 62.100 -0.733 0.000 1.141 311 T CB -0.260 68.116 68.868 -0.819 0.000 0.868 311 T HN 0.313 nan 8.240 nan 0.000 0.444 312 A N 1.612 124.231 122.820 -0.334 0.000 1.930 312 A HA -0.048 4.272 4.320 0.001 0.000 0.217 312 A C 2.350 179.900 177.584 -0.057 0.000 1.175 312 A CA 1.127 53.090 52.037 -0.122 0.000 0.627 312 A CB -0.440 18.605 19.000 0.075 0.000 0.815 312 A HN 0.360 nan 8.150 nan 0.000 0.443 313 R N -1.075 119.420 120.500 -0.008 0.000 2.096 313 R HA -0.201 4.139 4.340 0.001 0.000 0.240 313 R C 2.426 178.682 176.300 -0.073 0.000 1.139 313 R CA 1.684 57.786 56.100 0.002 0.000 0.952 313 R CB -0.898 29.408 30.300 0.010 0.000 0.854 313 R HN 0.680 nan 8.270 nan 0.000 0.436 314 C N -0.251 118.940 119.300 -0.183 0.000 2.473 314 C HA -0.089 4.372 4.460 0.001 0.000 0.279 314 C C 2.330 177.297 174.990 -0.039 0.000 1.250 314 C CA 0.290 59.213 59.018 -0.158 0.000 1.713 314 C CB -1.042 26.509 27.740 -0.316 0.000 2.066 314 C HN 0.620 nan 8.230 nan 0.000 0.474 315 W N 0.950 122.023 121.300 -0.378 0.000 2.425 315 W HA 0.063 4.724 4.660 0.000 0.000 0.277 315 W C 2.574 178.770 176.519 -0.539 0.000 1.231 315 W CA 1.326 58.182 57.345 -0.815 0.000 1.248 315 W CB -1.782 26.827 29.460 -1.419 0.000 1.117 315 W HN 0.351 nan 8.180 nan 0.000 0.568 316 T N -0.282 114.213 114.554 -0.098 0.000 2.777 316 T HA -0.253 4.097 4.350 0.001 0.000 0.266 316 T C 1.512 176.161 174.700 -0.084 0.000 1.040 316 T CA 1.591 63.643 62.100 -0.080 0.000 1.141 316 T CB -0.758 68.057 68.868 -0.088 0.000 0.868 316 T HN 0.131 nan 8.240 nan 0.000 0.444 317 Y N 1.882 122.084 120.300 -0.162 0.000 2.128 317 Y HA -0.110 4.440 4.550 0.001 0.000 0.284 317 Y C 1.987 177.855 175.900 -0.053 0.000 1.154 317 Y CA 1.283 59.297 58.100 -0.142 0.000 1.149 317 Y CB -0.492 37.898 38.460 -0.117 0.000 0.976 317 Y HN 0.110 nan 8.280 nan 0.000 0.505 318 L N -0.851 120.436 121.223 0.108 0.000 2.201 318 L HA -0.204 4.136 4.340 0.001 0.000 0.212 318 L C 2.247 179.194 176.870 0.128 0.000 1.105 318 L CA 1.592 56.510 54.840 0.130 0.000 0.775 318 L CB -0.850 41.403 42.059 0.324 0.000 0.913 318 L HN 0.259 nan 8.230 nan 0.000 0.440 319 T N -0.261 114.397 114.554 0.173 0.000 2.777 319 T HA -0.107 4.244 4.350 0.001 0.000 0.266 319 T C 1.930 176.617 174.700 -0.022 0.000 1.040 319 T CA 1.270 63.475 62.100 0.176 0.000 1.141 319 T CB -0.525 68.475 68.868 0.221 0.000 0.868 319 T HN 0.543 nan 8.240 nan 0.000 0.444 320 G N 1.593 110.307 108.800 -0.142 0.000 2.513 320 G HA2 -0.245 3.715 3.960 0.001 0.000 0.219 320 G HA3 -0.245 3.715 3.960 0.001 0.000 0.219 320 G C 1.825 176.580 174.900 -0.243 0.000 1.160 320 G CA 1.392 46.353 45.100 -0.231 0.000 0.767 320 G HN 0.536 nan 8.290 nan 0.000 0.571 321 V N -0.003 119.724 119.914 -0.313 0.000 2.515 321 V HA -0.023 4.097 4.120 0.001 0.000 0.250 321 V C 2.585 178.609 176.094 -0.117 0.000 1.058 321 V CA 1.627 63.783 62.300 -0.239 0.000 1.064 321 V CB -0.343 31.329 31.823 -0.252 0.000 0.675 321 V HN 0.422 nan 8.190 nan 0.000 0.461 322 I N 0.117 120.647 120.570 -0.067 0.000 2.208 322 I HA -0.209 3.962 4.170 0.001 0.000 0.245 322 I C 2.273 178.361 176.117 -0.047 0.000 1.097 322 I CA 1.939 63.216 61.300 -0.038 0.000 1.363 322 I CB -0.200 37.799 38.000 -0.003 0.000 1.051 322 I HN 0.302 nan 8.210 nan 0.000 0.413 323 L N 0.465 121.655 121.223 -0.056 0.000 2.599 323 L HA 0.146 4.487 4.340 0.001 0.000 0.230 323 L C 1.470 178.303 176.870 -0.062 0.000 1.141 323 L CA 0.437 55.245 54.840 -0.053 0.000 0.877 323 L CB -0.502 41.526 42.059 -0.052 0.000 1.009 323 L HN 0.481 nan 8.230 nan 0.000 0.447 324 G N 0.161 108.914 108.800 -0.078 0.000 2.179 324 G HA2 -0.251 3.709 3.960 0.001 0.000 0.257 324 G HA3 -0.251 3.709 3.960 0.001 0.000 0.257 324 G C 0.198 175.050 174.900 -0.080 0.000 1.010 324 G CA 0.102 45.157 45.100 -0.076 0.000 0.736 324 G HN 0.212 nan 8.290 nan 0.000 0.513 325 K N 0.658 120.996 120.400 -0.102 0.000 2.123 325 K HA 0.639 4.959 4.320 0.001 0.000 0.259 325 K C 0.546 177.074 176.600 -0.121 0.000 0.960 325 K CA 0.073 56.304 56.287 -0.093 0.000 0.872 325 K CB 1.586 34.035 32.500 -0.085 0.000 1.079 325 K HN 0.455 nan 8.250 nan 0.000 0.440 326 T N -0.252 114.256 114.554 -0.077 0.000 2.795 326 T HA 0.556 4.906 4.350 0.001 0.000 0.282 326 T C 0.220 174.894 174.700 -0.042 0.000 0.980 326 T CA -0.862 61.199 62.100 -0.064 0.000 1.012 326 T CB 0.391 69.244 68.868 -0.024 0.000 0.936 326 T HN 0.307 nan 8.240 nan 0.000 0.457 327 L N 2.668 123.857 121.223 -0.057 0.000 2.325 327 L HA 0.486 4.827 4.340 0.001 0.000 0.279 327 L C 1.014 177.939 176.870 0.091 0.000 1.054 327 L CA -1.136 53.682 54.840 -0.037 0.000 0.804 327 L CB 1.668 43.526 42.059 -0.336 0.000 1.200 327 L HN 0.756 nan 8.230 nan 0.000 0.436 328 S N 0.590 116.421 115.700 0.218 0.000 2.552 328 S HA -0.060 4.410 4.470 0.001 0.000 0.289 328 S C 1.269 176.011 174.600 0.237 0.000 1.304 328 S CA 0.121 58.440 58.200 0.198 0.000 1.063 328 S CB 0.836 64.135 63.200 0.165 0.000 0.848 328 S HN 0.743 nan 8.310 nan 0.000 0.499 329 S N 2.843 118.630 115.700 0.144 0.000 2.453 329 S HA -0.036 4.434 4.470 0.001 0.000 0.231 329 S C 0.710 175.396 174.600 0.144 0.000 1.005 329 S CA 0.484 58.760 58.200 0.127 0.000 0.949 329 S CB -0.272 62.975 63.200 0.079 0.000 0.774 329 S HN 0.837 nan 8.310 nan 0.000 0.510 330 E N 1.517 121.795 120.200 0.130 0.000 2.344 330 E HA 0.085 4.436 4.350 0.001 0.000 0.270 330 E C -0.544 176.112 176.600 0.093 0.000 1.021 330 E CA -0.337 56.133 56.400 0.117 0.000 0.887 330 E CB 0.375 30.122 29.700 0.079 0.000 0.997 330 E HN 0.305 nan 8.360 nan 0.000 0.429 331 I N 7.228 127.868 120.570 0.116 0.000 2.452 331 I HA 0.133 4.303 4.170 0.001 0.000 0.287 331 I C -1.994 174.163 176.117 0.067 0.000 1.079 331 I CA -2.177 59.131 61.300 0.013 0.000 1.387 331 I CB 0.350 38.321 38.000 -0.047 0.000 1.404 331 I HN 0.320 nan 8.210 nan 0.000 0.522 332 P HA 0.058 nan 4.420 nan 0.000 0.271 332 P C -0.423 176.952 177.300 0.125 0.000 1.218 332 P CA -0.335 62.678 63.100 -0.146 0.000 0.780 332 P CB 0.531 31.998 31.700 -0.389 0.000 0.901 333 D N 2.135 122.512 120.400 -0.038 0.000 2.488 333 D HA 0.066 4.706 4.640 0.001 0.000 0.238 333 D C 0.023 176.422 176.300 0.164 0.000 1.138 333 D CA 1.081 55.020 54.000 -0.101 0.000 0.873 333 D CB 0.200 40.811 40.800 -0.315 0.000 1.183 333 D HN 0.507 nan 8.370 nan 0.000 0.458 334 H N 0.779 119.864 119.070 0.024 0.000 2.863 334 H HA 0.166 4.722 4.556 0.000 0.000 0.274 334 H C 0.370 175.722 175.328 0.040 0.000 1.457 334 H CA -0.672 55.391 56.048 0.024 0.000 1.151 334 H CB 0.250 30.038 29.762 0.045 0.000 1.844 334 H HN 0.461 nan 8.280 nan 0.000 0.562 335 E N -0.056 120.009 120.200 -0.224 0.000 2.130 335 E HA -0.127 4.224 4.350 0.001 0.000 0.196 335 E C 0.165 176.389 176.600 -0.627 0.000 0.998 335 E CA 1.668 57.802 56.400 -0.444 0.000 0.806 335 E CB -0.043 29.311 29.700 -0.577 0.000 0.738 335 E HN 0.364 nan 8.360 nan 0.000 0.459 336 F N -0.873 118.808 119.950 -0.447 0.000 2.639 336 F HA 0.158 4.686 4.527 0.001 0.000 0.302 336 F C 1.157 176.928 175.800 -0.048 0.000 1.097 336 F CA -0.502 57.395 58.000 -0.170 0.000 1.294 336 F CB -0.167 38.883 39.000 0.085 0.000 1.027 336 F HN 0.010 nan 8.300 nan 0.000 0.550 337 F N 1.623 121.421 119.950 -0.253 0.000 2.085 337 F HA -0.379 4.149 4.527 0.001 0.000 0.299 337 F C 2.752 178.813 175.800 0.436 0.000 1.096 337 F CA 2.316 60.403 58.000 0.145 0.000 1.227 337 F CB -0.476 38.531 39.000 0.012 0.000 0.983 337 F HN 0.114 nan 8.300 nan 0.000 0.482 338 T N -1.228 113.531 114.554 0.341 0.000 3.072 338 T HA 0.016 4.367 4.350 0.001 0.000 0.266 338 T C 1.844 176.634 174.700 0.150 0.000 1.127 338 T CA 0.777 63.063 62.100 0.309 0.000 1.107 338 T CB -0.662 68.358 68.868 0.252 0.000 0.910 338 T HN 0.331 nan 8.240 nan 0.000 0.513 339 A N -0.045 122.828 122.820 0.090 0.000 2.168 339 A HA 0.180 4.500 4.320 0.001 0.000 0.215 339 A C 1.442 178.781 177.584 -0.409 0.000 1.152 339 A CA 0.485 52.425 52.037 -0.162 0.000 0.716 339 A CB -0.773 18.090 19.000 -0.228 0.000 0.794 339 A HN 0.697 nan 8.150 nan 0.000 0.465 340 Y N 0.071 120.295 120.300 -0.127 0.000 2.461 340 Y HA 0.302 4.852 4.550 0.001 0.000 0.277 340 Y C 1.721 177.214 175.900 -0.678 0.000 1.182 340 Y CA -0.531 57.416 58.100 -0.255 0.000 1.276 340 Y CB -0.421 37.959 38.460 -0.135 0.000 1.087 340 Y HN 0.262 nan 8.280 nan 0.000 0.519 341 G N 1.275 109.645 108.800 -0.716 0.000 2.636 341 G HA2 0.224 4.184 3.960 0.001 0.000 0.246 341 G HA3 0.224 4.184 3.960 0.001 0.000 0.246 341 G C -1.429 173.148 174.900 -0.537 0.000 1.216 341 G CA -0.839 43.605 45.100 -1.092 0.000 0.854 341 G HN 0.098 nan 8.290 nan 0.000 0.572 342 P HA 0.174 nan 4.420 nan 0.000 0.257 342 P C 0.344 177.400 177.300 -0.406 0.000 1.241 342 P CA 0.334 63.189 63.100 -0.409 0.000 0.816 342 P CB 0.827 32.446 31.700 -0.134 0.000 1.150 343 D N -1.213 118.959 120.400 -0.380 0.000 2.355 343 D HA 0.016 4.656 4.640 0.001 0.000 0.206 343 D C 0.076 176.370 176.300 -0.011 0.000 1.010 343 D CA 0.226 54.155 54.000 -0.119 0.000 0.875 343 D CB -0.317 40.444 40.800 -0.065 0.000 0.966 343 D HN 0.051 nan 8.370 nan 0.000 0.512 344 Y N -0.454 119.832 120.300 -0.025 0.000 3.305 344 Y HA -0.245 4.306 4.550 0.001 0.000 0.212 344 Y C 0.276 176.180 175.900 0.008 0.000 1.248 344 Y CA -0.149 57.913 58.100 -0.065 0.000 1.359 344 Y CB -2.345 36.038 38.460 -0.128 0.000 1.407 344 Y HN -0.103 nan 8.280 nan 0.000 0.572 345 V N -2.823 117.149 119.914 0.097 0.000 3.019 345 V HA 0.631 4.751 4.120 0.001 0.000 0.317 345 V C 0.664 176.806 176.094 0.081 0.000 1.094 345 V CA -0.883 61.472 62.300 0.092 0.000 1.000 345 V CB 2.013 33.873 31.823 0.061 0.000 1.060 345 V HN 0.095 nan 8.190 nan 0.000 0.443 346 L N 0.296 121.569 121.223 0.084 0.000 2.341 346 L HA 0.400 4.740 4.340 0.001 0.000 0.214 346 L C 1.098 177.964 176.870 -0.006 0.000 1.115 346 L CA 1.153 56.031 54.840 0.063 0.000 0.820 346 L CB -0.427 41.684 42.059 0.086 0.000 0.944 346 L HN 0.889 nan 8.230 nan 0.000 0.452 347 E N 0.165 120.354 120.200 -0.019 0.000 2.383 347 E HA 0.363 4.714 4.350 0.001 0.000 0.264 347 E C -0.624 175.932 176.600 -0.073 0.000 1.050 347 E CA 0.351 56.708 56.400 -0.071 0.000 0.896 347 E CB 0.909 30.578 29.700 -0.052 0.000 0.982 347 E HN 0.183 nan 8.360 nan 0.000 0.424 348 I N 1.424 121.929 120.570 -0.107 0.000 2.530 348 I HA 0.268 4.439 4.170 0.001 0.000 0.297 348 I C -0.353 175.711 176.117 -0.087 0.000 1.011 348 I CA -0.708 60.535 61.300 -0.094 0.000 1.107 348 I CB 2.191 40.123 38.000 -0.112 0.000 1.285 348 I HN 0.307 nan 8.210 nan 0.000 0.436 349 T N 6.007 120.520 114.554 -0.068 0.000 2.767 349 T HA 0.382 4.733 4.350 0.001 0.000 0.284 349 T C -2.384 172.285 174.700 -0.052 0.000 0.973 349 T CA -1.194 60.872 62.100 -0.057 0.000 0.996 349 T CB 1.202 70.043 68.868 -0.045 0.000 0.927 349 T HN 0.271 nan 8.240 nan 0.000 0.456 350 P HA 0.204 nan 4.420 nan 0.000 0.267 350 P C -0.255 177.027 177.300 -0.030 0.000 1.200 350 P CA -0.244 62.832 63.100 -0.040 0.000 0.772 350 P CB 0.391 32.067 31.700 -0.039 0.000 0.855 351 S N 0.854 116.541 115.700 -0.022 0.000 2.589 351 S HA 0.083 4.553 4.470 0.001 0.000 0.265 351 S C 0.090 174.682 174.600 -0.014 0.000 1.342 351 S CA -0.457 57.733 58.200 -0.016 0.000 1.005 351 S CB 0.071 63.266 63.200 -0.008 0.000 0.909 351 S HN 0.463 nan 8.310 nan 0.000 0.555 352 C N 2.713 122.005 119.300 -0.012 0.000 2.298 352 C HA 0.551 5.012 4.460 0.001 0.000 0.451 352 C C 0.768 175.754 174.990 -0.007 0.000 1.028 352 C CA -0.618 58.393 59.018 -0.011 0.000 1.324 352 C CB -2.010 25.724 27.740 -0.010 0.000 1.534 352 C HN 0.678 nan 8.230 nan 0.000 0.528 353 R N 2.075 122.571 120.500 -0.007 0.000 2.744 353 R HA 0.605 4.946 4.340 0.001 0.000 0.279 353 R C -2.650 173.646 176.300 -0.006 0.000 0.977 353 R CA -0.988 55.111 56.100 -0.003 0.000 0.906 353 R CB 1.569 31.872 30.300 0.004 0.000 1.197 353 R HN 0.274 nan 8.270 nan 0.000 0.463 354 P HA 0.097 nan 4.420 nan 0.000 0.275 354 P C -1.229 176.062 177.300 -0.015 0.000 1.228 354 P CA -0.303 62.790 63.100 -0.011 0.000 0.786 354 P CB 0.702 32.397 31.700 -0.008 0.000 0.927 355 D N 1.759 122.144 120.400 -0.025 0.000 2.316 355 D HA 0.074 4.715 4.640 0.001 0.000 0.245 355 D C 0.656 176.933 176.300 -0.039 0.000 1.171 355 D CA -0.299 53.678 54.000 -0.039 0.000 0.856 355 D CB 0.619 41.389 40.800 -0.051 0.000 1.090 355 D HN 0.054 nan 8.370 nan 0.000 0.476 356 R N 2.945 123.423 120.500 -0.036 0.000 2.317 356 R HA 0.134 4.474 4.340 0.001 0.000 0.208 356 R C -0.160 176.114 176.300 -0.043 0.000 0.914 356 R CA -0.161 55.921 56.100 -0.029 0.000 1.060 356 R CB -0.316 29.977 30.300 -0.013 0.000 1.015 356 R HN 0.437 nan 8.270 nan 0.000 0.498 357 N N 2.925 121.584 118.700 -0.068 0.000 2.401 357 N HA 0.017 4.757 4.740 0.001 0.000 0.255 357 N C -0.315 175.127 175.510 -0.114 0.000 1.110 357 N CA 0.220 53.217 53.050 -0.089 0.000 0.949 357 N CB 1.145 39.563 38.487 -0.114 0.000 1.110 357 N HN 0.024 nan 8.380 nan 0.000 0.490 358 E N 2.987 123.111 120.200 -0.127 0.000 2.290 358 E HA 0.088 4.439 4.350 0.001 0.000 0.277 358 E C -1.441 174.970 176.600 -0.315 0.000 1.035 358 E CA -1.528 54.728 56.400 -0.240 0.000 0.873 358 E CB 1.021 30.605 29.700 -0.194 0.000 1.029 358 E HN 0.320 nan 8.360 nan 0.000 0.419 359 P HA -0.218 nan 4.420 nan 0.000 0.217 359 P C 0.997 178.161 177.300 -0.226 0.000 1.151 359 P CA 1.438 64.371 63.100 -0.278 0.000 0.849 359 P CB 0.040 31.601 31.700 -0.231 0.000 0.787 360 H N -1.016 118.040 119.070 -0.024 0.000 2.387 360 H HA -0.053 4.503 4.556 0.001 0.000 0.299 360 H C 2.127 177.443 175.328 -0.021 0.000 1.090 360 H CA 1.307 57.343 56.048 -0.019 0.000 1.332 360 H CB -0.648 29.106 29.762 -0.012 0.000 1.386 360 H HN 0.057 nan 8.280 nan 0.000 0.516 361 R N 1.183 121.709 120.500 0.044 0.000 2.073 361 R HA -0.043 4.297 4.340 0.001 0.000 0.229 361 R C 2.286 178.568 176.300 -0.029 0.000 1.120 361 R CA 0.651 56.760 56.100 0.015 0.000 0.967 361 R CB -0.528 29.771 30.300 -0.001 0.000 0.862 361 R HN 0.132 nan 8.270 nan 0.000 0.436 362 I N 0.965 121.496 120.570 -0.065 0.000 2.264 362 I HA -0.233 3.937 4.170 0.001 0.000 0.248 362 I C 2.067 178.148 176.117 -0.059 0.000 1.111 362 I CA 1.443 62.694 61.300 -0.083 0.000 1.382 362 I CB -1.149 36.785 38.000 -0.109 0.000 1.060 362 I HN 0.294 nan 8.210 nan 0.000 0.418 363 Q N 0.725 120.505 119.800 -0.034 0.000 2.137 363 Q HA -0.142 4.198 4.340 0.001 0.000 0.198 363 Q C 2.213 178.217 176.000 0.007 0.000 0.960 363 Q CA 1.380 57.174 55.803 -0.015 0.000 0.847 363 Q CB -0.165 28.574 28.738 0.003 0.000 0.915 363 Q HN 0.466 nan 8.270 nan 0.000 0.448 364 Q N -0.351 119.462 119.800 0.023 0.000 2.077 364 Q HA -0.183 4.157 4.340 0.001 0.000 0.206 364 Q C 2.025 178.053 176.000 0.047 0.000 0.989 364 Q CA 1.927 57.755 55.803 0.043 0.000 0.853 364 Q CB -0.218 28.545 28.738 0.042 0.000 0.907 364 Q HN 0.422 nan 8.270 nan 0.000 0.418 365 I N 0.158 120.724 120.570 -0.007 0.000 2.179 365 I HA -0.304 3.866 4.170 0.001 0.000 0.242 365 I C 2.050 178.171 176.117 0.007 0.000 1.088 365 I CA 1.060 62.337 61.300 -0.037 0.000 1.357 365 I CB -0.183 37.755 38.000 -0.102 0.000 1.051 365 I HN 0.209 nan 8.210 nan 0.000 0.409 366 L N 0.264 121.479 121.223 -0.013 0.000 2.131 366 L HA -0.208 4.132 4.340 0.001 0.000 0.210 366 L C 2.194 179.074 176.870 0.017 0.000 1.092 366 L CA 1.070 55.901 54.840 -0.015 0.000 0.759 366 L CB -0.673 41.361 42.059 -0.042 0.000 0.903 366 L HN 0.328 nan 8.230 nan 0.000 0.435 367 N N -0.720 118.001 118.700 0.035 0.000 2.171 367 N HA -0.192 4.549 4.740 0.001 0.000 0.184 367 N C 1.749 177.295 175.510 0.061 0.000 1.021 367 N CA 1.038 54.107 53.050 0.033 0.000 0.854 367 N CB -0.334 38.169 38.487 0.028 0.000 0.994 367 N HN 0.295 nan 8.380 nan 0.000 0.426 368 Y N 1.347 121.632 120.300 -0.025 0.000 2.165 368 Y HA -0.115 4.435 4.550 0.000 0.000 0.286 368 Y C 2.135 178.029 175.900 -0.009 0.000 1.155 368 Y CA 1.341 59.433 58.100 -0.014 0.000 1.164 368 Y CB -0.102 38.346 38.460 -0.021 0.000 0.978 368 Y HN -0.005 nan 8.280 nan 0.000 0.513 369 I N -0.155 120.535 120.570 0.199 0.000 2.252 369 I HA -0.302 3.868 4.170 0.001 0.000 0.245 369 I C 2.244 178.385 176.117 0.040 0.000 1.102 369 I CA 1.385 62.755 61.300 0.117 0.000 1.385 369 I CB -0.343 37.691 38.000 0.057 0.000 1.064 369 I HN 0.110 nan 8.210 nan 0.000 0.414 370 K N 0.758 121.163 120.400 0.010 0.000 2.044 370 K HA -0.177 4.143 4.320 0.001 0.000 0.210 370 K C 2.158 178.719 176.600 -0.065 0.000 1.049 370 K CA 1.667 57.937 56.287 -0.027 0.000 0.927 370 K CB -0.618 31.864 32.500 -0.030 0.000 0.713 370 K HN 0.465 nan 8.250 nan 0.000 0.443 371 G N 1.032 109.786 108.800 -0.078 0.000 2.418 371 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 371 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 371 G C 1.125 175.941 174.900 -0.141 0.000 1.158 371 G CA 1.210 46.227 45.100 -0.138 0.000 0.771 371 G HN 0.350 nan 8.290 nan 0.000 0.545 372 N N -0.378 118.287 118.700 -0.057 0.000 2.244 372 N HA -0.043 4.697 4.740 0.001 0.000 0.183 372 N C 1.706 177.160 175.510 -0.092 0.000 1.016 372 N CA 0.343 53.394 53.050 0.002 0.000 0.866 372 N CB -0.056 38.564 38.487 0.222 0.000 0.980 372 N HN 0.109 nan 8.380 nan 0.000 0.430 373 L N 1.022 122.197 121.223 -0.080 0.000 2.492 373 L HA 0.066 4.406 4.340 0.001 0.000 0.223 373 L C 1.773 178.559 176.870 -0.140 0.000 1.132 373 L CA 1.200 55.980 54.840 -0.099 0.000 0.850 373 L CB -0.380 41.644 42.059 -0.057 0.000 0.966 373 L HN 0.001 nan 8.230 nan 0.000 0.454 374 K N -1.325 118.954 120.400 -0.202 0.000 2.283 374 K HA -0.122 4.198 4.320 0.001 0.000 0.202 374 K C 1.656 178.050 176.600 -0.343 0.000 1.048 374 K CA 0.797 56.927 56.287 -0.263 0.000 0.948 374 K CB 0.015 32.327 32.500 -0.315 0.000 0.742 374 K HN 0.419 nan 8.250 nan 0.000 0.458 375 H N -1.090 117.789 119.070 -0.319 0.000 2.529 375 H HA 0.025 4.582 4.556 0.000 0.000 0.277 375 H C 0.528 175.768 175.328 -0.148 0.000 0.999 375 H CA -0.057 55.806 56.048 -0.309 0.000 1.256 375 H CB 0.360 29.715 29.762 -0.679 0.000 1.402 375 H HN -0.117 nan 8.280 nan 0.000 0.566 376 V N 0.000 119.875 119.914 -0.066 0.000 2.409 376 V HA 0.000 4.120 4.120 0.001 0.000 0.244 376 V CA 0.000 62.265 62.300 -0.059 0.000 1.235 376 V CB 0.000 31.696 31.823 -0.212 0.000 1.184 376 V HN 0.000 nan 8.190 nan 0.000 0.556