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 3ezt_1_A DATA FIRST_RESID 14 DATA SEQUENCE LVPVYIYSPE YVSMCDSLAK IPKRASMVHS LIEAYALHKQ MRIVKPKVAS DATA SEQUENCE MEEMATFHTD AYLQHLQKVS QXXXXXXXDS IEYGLGYECP 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 KHVV 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 0.000 176.876 176.870 0.011 0.000 1.165 14 L CA 0.000 54.848 54.840 0.014 0.000 0.813 14 L CB 0.000 42.066 42.059 0.012 0.000 0.961 15 V N 1.605 121.526 119.914 0.012 0.000 2.628 15 V HA 0.482 4.796 4.120 0.324 0.000 0.306 15 V C -2.120 173.983 176.094 0.015 0.000 1.045 15 V CA -1.575 60.733 62.300 0.012 0.000 0.905 15 V CB 2.154 33.985 31.823 0.013 0.000 0.997 15 V HN -0.046 nan 8.190 nan 0.000 0.436 16 P HA 0.031 nan 4.420 nan 0.000 0.264 16 P C -0.811 176.515 177.300 0.044 0.000 1.183 16 P CA 0.261 63.372 63.100 0.018 0.000 0.763 16 P CB 0.322 32.035 31.700 0.022 0.000 0.807 17 V N 5.124 125.056 119.914 0.029 0.000 2.407 17 V HA 0.159 4.474 4.120 0.324 0.000 0.278 17 V C -0.400 175.745 176.094 0.084 0.000 1.037 17 V CA -0.297 62.034 62.300 0.051 0.000 0.900 17 V CB 0.553 32.379 31.823 0.005 0.000 0.983 17 V HN 0.420 nan 8.190 nan 0.000 0.459 18 Y N 6.003 126.310 120.300 0.011 0.000 2.491 18 Y HA 0.469 5.213 4.550 0.324 0.000 0.334 18 Y C 0.207 176.153 175.900 0.077 0.000 0.969 18 Y CA -1.049 57.074 58.100 0.039 0.000 1.241 18 Y CB 0.712 39.244 38.460 0.120 0.000 1.105 18 Y HN 0.457 nan 8.280 nan 0.000 0.503 19 I N 8.018 128.451 120.570 -0.229 0.000 2.574 19 I HA -0.047 4.318 4.170 0.324 0.000 0.291 19 I C -0.559 175.488 176.117 -0.117 0.000 1.131 19 I CA 0.516 61.713 61.300 -0.172 0.000 1.352 19 I CB -1.498 36.377 38.000 -0.208 0.000 1.431 19 I HN 0.609 nan 8.210 nan 0.000 0.543 20 Y N 5.722 125.955 120.300 -0.111 0.000 2.592 20 Y HA 0.587 5.333 4.550 0.327 0.000 0.334 20 Y C -1.007 174.925 175.900 0.054 0.000 1.136 20 Y CA -1.413 56.683 58.100 -0.007 0.000 1.042 20 Y CB 1.890 40.365 38.460 0.025 0.000 1.325 20 Y HN 0.503 nan 8.280 nan 0.000 0.457 21 S N 4.431 119.509 115.700 -1.036 0.000 2.561 21 S HA 0.321 4.986 4.470 0.324 0.000 0.292 21 S C -2.980 171.194 174.600 -0.710 0.000 1.107 21 S CA -0.964 56.712 58.200 -0.874 0.000 0.969 21 S CB 2.013 65.022 63.200 -0.318 0.000 1.150 21 S HN 0.367 nan 8.310 nan 0.000 0.451 22 P HA -0.205 nan 4.420 nan 0.000 0.219 22 P C 0.929 178.214 177.300 -0.025 0.000 1.151 22 P CA 1.795 64.828 63.100 -0.112 0.000 0.850 22 P CB 0.069 31.766 31.700 -0.004 0.000 0.784 23 E N -2.442 117.727 120.200 -0.052 0.000 2.208 23 E HA -0.166 4.378 4.350 0.324 0.000 0.193 23 E C 1.905 178.534 176.600 0.050 0.000 0.988 23 E CA 0.853 57.254 56.400 0.003 0.000 0.828 23 E CB -1.006 28.688 29.700 -0.011 0.000 0.763 23 E HN 0.482 nan 8.360 nan 0.000 0.478 24 Y N 0.172 120.400 120.300 -0.119 0.000 2.206 24 Y HA -0.166 4.579 4.550 0.326 0.000 0.292 24 Y C 2.033 177.893 175.900 -0.066 0.000 1.123 24 Y CA 0.664 58.694 58.100 -0.117 0.000 1.142 24 Y CB 0.055 38.425 38.460 -0.150 0.000 1.006 24 Y HN -0.146 nan 8.280 nan 0.000 0.518 25 V N 0.672 120.500 119.914 -0.143 0.000 2.332 25 V HA -0.337 3.978 4.120 0.324 0.000 0.248 25 V C 2.620 178.662 176.094 -0.086 0.000 1.055 25 V CA 2.257 64.456 62.300 -0.168 0.000 1.038 25 V CB -0.925 30.957 31.823 0.098 0.000 0.651 25 V HN 0.684 nan 8.190 nan 0.000 0.450 26 S N -0.437 115.263 115.700 -0.001 0.000 2.406 26 S HA -0.245 4.420 4.470 0.324 0.000 0.228 26 S C 1.928 176.539 174.600 0.019 0.000 1.020 26 S CA 1.656 59.878 58.200 0.036 0.000 0.965 26 S CB -0.532 62.705 63.200 0.062 0.000 0.798 26 S HN 0.457 nan 8.310 nan 0.000 0.488 27 M N 1.909 121.495 119.600 -0.022 0.000 2.080 27 M HA -0.059 4.616 4.480 0.324 0.000 0.260 27 M C 2.133 178.365 176.300 -0.115 0.000 1.068 27 M CA 1.592 56.872 55.300 -0.033 0.000 1.109 27 M CB -1.229 31.344 32.600 -0.044 0.000 1.342 27 M HN 0.490 nan 8.290 nan 0.000 0.405 28 C N 0.582 119.725 119.300 -0.262 0.000 2.442 28 C HA -0.135 4.519 4.460 0.324 0.000 0.279 28 C C 2.194 177.251 174.990 0.111 0.000 1.237 28 C CA 1.151 60.019 59.018 -0.251 0.000 1.722 28 C CB -1.454 26.068 27.740 -0.364 0.000 2.056 28 C HN 0.561 nan 8.230 nan 0.000 0.469 29 D N 0.859 121.292 120.400 0.054 0.000 2.292 29 D HA -0.145 4.690 4.640 0.324 0.000 0.205 29 D C 2.146 178.537 176.300 0.152 0.000 0.994 29 D CA 1.643 55.700 54.000 0.096 0.000 0.897 29 D CB -0.557 40.285 40.800 0.069 0.000 0.907 29 D HN 0.543 nan 8.370 nan 0.000 0.467 30 S N -0.450 115.382 115.700 0.220 0.000 2.440 30 S HA -0.165 4.500 4.470 0.324 0.000 0.238 30 S C 0.811 175.505 174.600 0.157 0.000 1.010 30 S CA -0.087 58.241 58.200 0.214 0.000 0.972 30 S CB -0.198 63.171 63.200 0.282 0.000 0.774 30 S HN 0.162 nan 8.310 nan 0.000 0.501 31 L N 2.098 123.467 121.223 0.243 0.000 2.433 31 L HA 0.456 4.991 4.340 0.324 0.000 0.275 31 L C 1.216 178.099 176.870 0.023 0.000 1.128 31 L CA 0.220 55.071 54.840 0.019 0.000 0.875 31 L CB 0.171 42.325 42.059 0.158 0.000 1.171 31 L HN 0.173 nan 8.230 nan 0.000 0.463 32 A N 5.177 127.971 122.820 -0.043 0.000 1.978 32 A HA -0.137 4.377 4.320 0.324 0.000 0.220 32 A C 1.996 179.533 177.584 -0.077 0.000 1.170 32 A CA 1.344 53.352 52.037 -0.049 0.000 0.636 32 A CB -0.438 18.524 19.000 -0.063 0.000 0.810 32 A HN 0.793 nan 8.150 nan 0.000 0.448 33 K N -0.236 120.088 120.400 -0.127 0.000 2.211 33 K HA -0.095 4.419 4.320 0.324 0.000 0.204 33 K C 0.819 177.389 176.600 -0.051 0.000 1.047 33 K CA 1.438 57.594 56.287 -0.218 0.000 0.935 33 K CB -0.509 31.744 32.500 -0.411 0.000 0.728 33 K HN 0.849 nan 8.250 nan 0.000 0.452 34 I N -1.451 119.136 120.570 0.029 0.000 2.901 34 I HA 0.242 4.607 4.170 0.324 0.000 0.289 34 I C -2.844 173.301 176.117 0.046 0.000 1.553 34 I CA -2.043 59.292 61.300 0.059 0.000 0.829 34 I CB 1.724 39.784 38.000 0.101 0.000 1.840 34 I HN -0.272 nan 8.210 nan 0.000 0.606 35 P HA 0.009 nan 4.420 nan 0.000 0.264 35 P C 0.125 177.415 177.300 -0.016 0.000 1.193 35 P CA 0.331 63.440 63.100 0.016 0.000 0.763 35 P CB 1.211 32.913 31.700 0.004 0.000 0.810 36 K N 0.877 121.274 120.400 -0.005 0.000 3.363 36 K HA -0.233 4.282 4.320 0.324 0.000 0.313 36 K C 1.550 178.064 176.600 -0.142 0.000 1.259 36 K CA 1.328 57.578 56.287 -0.062 0.000 0.942 36 K CB -1.507 30.935 32.500 -0.097 0.000 1.229 36 K HN 0.474 nan 8.250 nan 0.000 0.440 37 R N -0.134 120.318 120.500 -0.080 0.000 2.081 37 R HA -0.073 4.461 4.340 0.324 0.000 0.235 37 R C 2.034 178.310 176.300 -0.040 0.000 1.131 37 R CA 1.590 57.635 56.100 -0.091 0.000 0.960 37 R CB -0.221 30.055 30.300 -0.041 0.000 0.856 37 R HN 0.346 nan 8.270 nan 0.000 0.436 38 A N 0.033 122.856 122.820 0.005 0.000 1.908 38 A HA -0.156 4.359 4.320 0.324 0.000 0.218 38 A C 2.196 179.818 177.584 0.063 0.000 1.181 38 A CA 1.952 54.005 52.037 0.027 0.000 0.627 38 A CB -0.509 18.458 19.000 -0.055 0.000 0.818 38 A HN 0.392 nan 8.150 nan 0.000 0.445 39 S N -0.423 115.302 115.700 0.043 0.000 2.343 39 S HA -0.167 4.498 4.470 0.324 0.000 0.219 39 S C 2.061 176.729 174.600 0.113 0.000 1.033 39 S CA 1.796 60.087 58.200 0.152 0.000 1.014 39 S CB -0.448 62.881 63.200 0.214 0.000 0.915 39 S HN 0.579 nan 8.310 nan 0.000 0.435 40 M N 0.801 120.268 119.600 -0.221 0.000 2.108 40 M HA -0.149 4.526 4.480 0.324 0.000 0.257 40 M C 2.148 178.478 176.300 0.049 0.000 1.071 40 M CA 1.312 56.500 55.300 -0.186 0.000 1.093 40 M CB -0.797 31.584 32.600 -0.366 0.000 1.345 40 M HN 0.163 nan 8.290 nan 0.000 0.403 41 V N -0.539 119.397 119.914 0.036 0.000 2.261 41 V HA -0.301 4.014 4.120 0.324 0.000 0.246 41 V C 2.315 178.478 176.094 0.115 0.000 1.047 41 V CA 2.494 64.838 62.300 0.073 0.000 1.015 41 V CB -0.947 30.969 31.823 0.156 0.000 0.642 41 V HN 0.494 nan 8.190 nan 0.000 0.446 42 H N 0.261 119.378 119.070 0.078 0.000 2.270 42 H HA -0.164 4.588 4.556 0.327 0.000 0.299 42 H C 2.616 177.929 175.328 -0.025 0.000 1.077 42 H CA 2.226 58.301 56.048 0.045 0.000 1.294 42 H CB -0.556 29.165 29.762 -0.069 0.000 1.371 42 H HN 0.346 nan 8.280 nan 0.000 0.491 43 S N -0.529 115.096 115.700 -0.125 0.000 2.368 43 S HA -0.209 4.456 4.470 0.324 0.000 0.226 43 S C 2.255 176.711 174.600 -0.240 0.000 1.044 43 S CA 1.713 59.850 58.200 -0.104 0.000 1.062 43 S CB -0.792 62.651 63.200 0.405 0.000 0.931 43 S HN 0.422 nan 8.310 nan 0.000 0.440 44 L N 1.419 122.537 121.223 -0.175 0.000 2.079 44 L HA 0.043 4.578 4.340 0.324 0.000 0.210 44 L C 2.121 178.923 176.870 -0.113 0.000 1.081 44 L CA 1.720 56.388 54.840 -0.287 0.000 0.752 44 L CB -0.636 41.365 42.059 -0.096 0.000 0.896 44 L HN 0.497 nan 8.230 nan 0.000 0.433 45 I N -0.591 119.902 120.570 -0.129 0.000 2.252 45 I HA -0.256 4.109 4.170 0.324 0.000 0.245 45 I C 2.484 178.469 176.117 -0.220 0.000 1.102 45 I CA 1.492 62.731 61.300 -0.102 0.000 1.385 45 I CB -0.388 37.574 38.000 -0.064 0.000 1.064 45 I HN 0.450 nan 8.210 nan 0.000 0.414 46 E N 1.952 121.842 120.200 -0.517 0.000 2.077 46 E HA -0.232 4.313 4.350 0.324 0.000 0.193 46 E C 2.217 178.605 176.600 -0.353 0.000 0.989 46 E CA 1.376 57.316 56.400 -0.766 0.000 0.800 46 E CB -0.082 29.026 29.700 -0.987 0.000 0.746 46 E HN 0.430 nan 8.360 nan 0.000 0.452 47 A N -0.051 122.603 122.820 -0.276 0.000 2.019 47 A HA -0.140 4.374 4.320 0.324 0.000 0.219 47 A C 1.458 178.912 177.584 -0.216 0.000 1.164 47 A CA 1.014 52.915 52.037 -0.227 0.000 0.644 47 A CB -0.665 18.133 19.000 -0.337 0.000 0.805 47 A HN 0.488 nan 8.150 nan 0.000 0.449 48 Y N -1.108 119.103 120.300 -0.150 0.000 2.471 48 Y HA 0.344 5.092 4.550 0.329 0.000 0.286 48 Y C 1.521 177.406 175.900 -0.026 0.000 1.188 48 Y CA 0.135 58.188 58.100 -0.079 0.000 1.286 48 Y CB -0.156 38.258 38.460 -0.076 0.000 1.072 48 Y HN 0.478 nan 8.280 nan 0.000 0.517 49 A N -0.072 122.814 122.820 0.110 0.000 2.783 49 A HA -0.253 4.262 4.320 0.324 0.000 0.292 49 A C 1.029 178.733 177.584 0.199 0.000 1.495 49 A CA 1.177 53.332 52.037 0.197 0.000 0.787 49 A CB -2.037 17.022 19.000 0.097 0.000 1.017 49 A HN 0.578 nan 8.150 nan 0.000 0.516 50 L N -0.605 120.735 121.223 0.196 0.000 2.446 50 L HA 0.001 4.536 4.340 0.324 0.000 0.219 50 L C 2.403 179.316 176.870 0.071 0.000 1.116 50 L CA 0.775 55.672 54.840 0.095 0.000 0.844 50 L CB -0.477 41.604 42.059 0.036 0.000 0.970 50 L HN 0.869 nan 8.230 nan 0.000 0.457 51 H N -0.863 118.099 119.070 -0.179 0.000 2.559 51 H HA 0.012 4.764 4.556 0.326 0.000 0.273 51 H C 1.286 176.570 175.328 -0.074 0.000 1.000 51 H CA 0.330 56.246 56.048 -0.220 0.000 1.195 51 H CB -0.280 29.345 29.762 -0.229 0.000 1.368 51 H HN 0.125 nan 8.280 nan 0.000 0.592 52 K N 0.663 120.896 120.400 -0.277 0.000 2.459 52 K HA 0.068 4.583 4.320 0.324 0.000 0.193 52 K C 0.704 177.246 176.600 -0.097 0.000 1.030 52 K CA 0.275 56.409 56.287 -0.255 0.000 1.026 52 K CB 0.494 32.861 32.500 -0.223 0.000 0.809 52 K HN 0.562 nan 8.250 nan 0.000 0.504 53 Q N -0.339 119.432 119.800 -0.049 0.000 2.135 53 Q HA 0.331 4.866 4.340 0.324 0.000 0.222 53 Q C -0.236 175.764 176.000 0.000 0.000 0.808 53 Q CA -0.087 55.706 55.803 -0.017 0.000 1.049 53 Q CB 0.786 29.521 28.738 -0.004 0.000 1.168 53 Q HN 0.082 nan 8.270 nan 0.000 0.483 54 M N 0.501 120.104 119.600 0.005 0.000 2.501 54 M HA 0.448 5.123 4.480 0.324 0.000 0.293 54 M C -0.887 175.456 176.300 0.070 0.000 1.192 54 M CA -0.688 54.640 55.300 0.047 0.000 0.886 54 M CB 2.537 35.181 32.600 0.074 0.000 1.710 54 M HN -0.051 nan 8.290 nan 0.000 0.457 55 R N 2.327 122.876 120.500 0.080 0.000 2.441 55 R HA 0.346 4.880 4.340 0.324 0.000 0.300 55 R C -0.645 175.735 176.300 0.133 0.000 1.284 55 R CA -0.037 56.111 56.100 0.080 0.000 1.069 55 R CB -0.784 29.547 30.300 0.053 0.000 1.087 55 R HN 0.599 nan 8.270 nan 0.000 0.519 56 I N 3.838 124.510 120.570 0.170 0.000 2.573 56 I HA -0.047 4.317 4.170 0.324 0.000 0.295 56 I C 0.225 176.436 176.117 0.157 0.000 1.141 56 I CA 0.134 61.591 61.300 0.261 0.000 1.364 56 I CB 0.083 38.275 38.000 0.320 0.000 1.447 56 I HN 0.213 nan 8.210 nan 0.000 0.571 57 V N 6.813 126.795 119.914 0.113 0.000 2.567 57 V HA 0.176 4.491 4.120 0.324 0.000 0.289 57 V C 0.414 176.501 176.094 -0.012 0.000 1.049 57 V CA -0.733 61.585 62.300 0.030 0.000 0.969 57 V CB 1.642 33.463 31.823 -0.005 0.000 0.995 57 V HN 0.609 nan 8.190 nan 0.000 0.471 58 K N 6.615 126.984 120.400 -0.051 0.000 2.234 58 K HA 0.393 4.908 4.320 0.324 0.000 0.282 58 K C -2.369 174.135 176.600 -0.159 0.000 1.039 58 K CA -1.577 54.645 56.287 -0.108 0.000 0.928 58 K CB 1.180 33.622 32.500 -0.096 0.000 1.039 58 K HN 0.457 nan 8.250 nan 0.000 0.470 59 P HA 0.099 nan 4.420 nan 0.000 0.275 59 P C -1.473 175.667 177.300 -0.266 0.000 1.228 59 P CA -0.200 62.688 63.100 -0.354 0.000 0.786 59 P CB 0.852 32.114 31.700 -0.730 0.000 0.927 60 K N 1.644 121.912 120.400 -0.220 0.000 2.307 60 K HA 0.373 4.888 4.320 0.324 0.000 0.263 60 K C -0.227 176.283 176.600 -0.151 0.000 0.973 60 K CA -1.038 55.158 56.287 -0.151 0.000 0.846 60 K CB 1.569 34.006 32.500 -0.104 0.000 1.100 60 K HN 0.170 nan 8.250 nan 0.000 0.438 61 V N 2.413 122.252 119.914 -0.125 0.000 2.901 61 V HA -0.028 4.287 4.120 0.324 0.000 0.307 61 V C 0.543 176.591 176.094 -0.076 0.000 1.084 61 V CA -0.003 62.233 62.300 -0.106 0.000 1.184 61 V CB 0.788 32.571 31.823 -0.067 0.000 0.941 61 V HN 0.909 nan 8.190 nan 0.000 0.493 62 A N 4.232 127.007 122.820 -0.075 0.000 2.363 62 A HA 0.596 5.111 4.320 0.324 0.000 0.270 62 A C 0.489 178.068 177.584 -0.009 0.000 1.121 62 A CA -0.052 51.961 52.037 -0.041 0.000 0.800 62 A CB 0.397 19.374 19.000 -0.039 0.000 1.052 62 A HN 1.115 nan 8.150 nan 0.000 0.493 63 S N 2.367 118.080 115.700 0.020 0.000 2.610 63 S HA 0.346 5.010 4.470 0.324 0.000 0.273 63 S C 1.001 175.651 174.600 0.082 0.000 1.274 63 S CA -0.150 58.081 58.200 0.051 0.000 1.023 63 S CB 0.771 63.996 63.200 0.042 0.000 0.962 63 S HN 0.708 nan 8.310 nan 0.000 0.523 64 M N 1.758 121.429 119.600 0.118 0.000 2.143 64 M HA -0.157 4.518 4.480 0.324 0.000 0.258 64 M C 2.008 178.376 176.300 0.114 0.000 1.071 64 M CA 1.853 57.242 55.300 0.148 0.000 1.088 64 M CB -0.708 31.976 32.600 0.140 0.000 1.360 64 M HN 0.884 nan 8.290 nan 0.000 0.404 65 E N -1.057 119.193 120.200 0.084 0.000 2.482 65 E HA -0.150 4.394 4.350 0.324 0.000 0.196 65 E C 1.280 177.926 176.600 0.077 0.000 1.047 65 E CA 0.986 57.430 56.400 0.073 0.000 0.869 65 E CB -0.500 29.233 29.700 0.054 0.000 0.836 65 E HN 0.680 nan 8.360 nan 0.000 0.520 66 E N 0.405 120.653 120.200 0.080 0.000 2.127 66 E HA 0.133 4.678 4.350 0.324 0.000 0.191 66 E C 2.040 178.709 176.600 0.116 0.000 0.964 66 E CA 0.296 56.743 56.400 0.079 0.000 0.832 66 E CB 0.012 29.744 29.700 0.053 0.000 0.790 66 E HN 0.178 nan 8.360 nan 0.000 0.465 67 M N 0.589 120.272 119.600 0.139 0.000 2.394 67 M HA -0.005 4.669 4.480 0.324 0.000 0.264 67 M C 2.165 178.620 176.300 0.257 0.000 1.073 67 M CA 0.741 56.176 55.300 0.225 0.000 1.111 67 M CB 0.111 32.832 32.600 0.202 0.000 1.401 67 M HN 0.069 nan 8.290 nan 0.000 0.448 68 A N 0.087 123.013 122.820 0.177 0.000 2.119 68 A HA -0.070 4.444 4.320 0.324 0.000 0.216 68 A C 2.094 179.746 177.584 0.112 0.000 1.152 68 A CA 1.525 53.647 52.037 0.141 0.000 0.708 68 A CB -0.994 18.069 19.000 0.105 0.000 0.805 68 A HN 0.556 nan 8.150 nan 0.000 0.460 69 T N -4.648 109.981 114.554 0.125 0.000 3.155 69 T HA 0.027 4.572 4.350 0.324 0.000 0.264 69 T C 0.890 175.686 174.700 0.160 0.000 1.160 69 T CA 1.429 63.599 62.100 0.116 0.000 1.075 69 T CB -0.309 68.624 68.868 0.108 0.000 0.921 69 T HN 0.481 nan 8.240 nan 0.000 0.533 70 F N 0.146 120.061 119.950 -0.057 0.000 2.157 70 F HA 0.332 5.054 4.527 0.325 0.000 0.277 70 F C 0.283 175.967 175.800 -0.193 0.000 0.904 70 F CA -0.754 57.134 58.000 -0.188 0.000 1.121 70 F CB 0.383 39.188 39.000 -0.325 0.000 1.195 70 F HN 0.077 nan 8.300 nan 0.000 0.726 71 H N 2.377 121.369 119.070 -0.130 0.000 2.610 71 H HA 0.281 5.031 4.556 0.324 0.000 0.336 71 H C 0.344 175.624 175.328 -0.080 0.000 1.087 71 H CA 0.605 56.534 56.048 -0.198 0.000 1.405 71 H CB 0.934 30.767 29.762 0.119 0.000 1.460 71 H HN 0.212 nan 8.280 nan 0.000 0.538 72 T N -0.028 114.535 114.554 0.014 0.000 2.926 72 T HA -0.031 4.513 4.350 0.324 0.000 0.307 72 T C 1.143 175.887 174.700 0.075 0.000 1.059 72 T CA -0.697 61.416 62.100 0.022 0.000 1.122 72 T CB 0.855 69.724 68.868 0.002 0.000 0.972 72 T HN 0.443 nan 8.240 nan 0.000 0.545 73 D N 1.957 122.388 120.400 0.051 0.000 2.149 73 D HA -0.125 4.710 4.640 0.324 0.000 0.198 73 D C 2.311 178.619 176.300 0.014 0.000 0.990 73 D CA 1.577 55.604 54.000 0.045 0.000 0.839 73 D CB -0.393 40.429 40.800 0.036 0.000 0.948 73 D HN 0.814 nan 8.370 nan 0.000 0.460 74 A N 0.377 123.204 122.820 0.012 0.000 1.908 74 A HA -0.238 4.277 4.320 0.324 0.000 0.218 74 A C 2.136 179.590 177.584 -0.215 0.000 1.181 74 A CA 1.301 53.334 52.037 -0.008 0.000 0.627 74 A CB -0.889 18.170 19.000 0.099 0.000 0.818 74 A HN 0.338 nan 8.150 nan 0.000 0.445 75 Y N 0.304 120.341 120.300 -0.439 0.000 2.184 75 Y HA -0.030 4.714 4.550 0.324 0.000 0.290 75 Y C 1.906 177.659 175.900 -0.244 0.000 1.129 75 Y CA 1.577 59.285 58.100 -0.654 0.000 1.144 75 Y CB -0.347 37.854 38.460 -0.431 0.000 0.995 75 Y HN 0.181 nan 8.280 nan 0.000 0.513 76 L N 0.209 121.357 121.223 -0.125 0.000 2.265 76 L HA -0.226 4.309 4.340 0.324 0.000 0.215 76 L C 2.302 179.116 176.870 -0.094 0.000 1.117 76 L CA 0.809 55.622 54.840 -0.044 0.000 0.782 76 L CB -0.460 41.689 42.059 0.149 0.000 0.914 76 L HN 0.332 nan 8.230 nan 0.000 0.441 77 Q N -0.914 118.814 119.800 -0.120 0.000 2.008 77 Q HA -0.187 4.348 4.340 0.324 0.000 0.196 77 Q C 2.144 178.073 176.000 -0.120 0.000 0.973 77 Q CA 1.433 57.168 55.803 -0.113 0.000 0.826 77 Q CB -0.560 28.154 28.738 -0.042 0.000 0.894 77 Q HN 0.455 nan 8.270 nan 0.000 0.439 78 H N 1.019 119.976 119.070 -0.188 0.000 2.422 78 H HA -0.069 4.682 4.556 0.325 0.000 0.298 78 H C 1.754 176.980 175.328 -0.169 0.000 1.098 78 H CA 1.083 57.063 56.048 -0.113 0.000 1.315 78 H CB -0.096 29.680 29.762 0.023 0.000 1.382 78 H HN 0.068 nan 8.280 nan 0.000 0.523 79 L N 0.302 121.316 121.223 -0.349 0.000 2.109 79 L HA -0.118 4.417 4.340 0.324 0.000 0.207 79 L C 2.158 178.922 176.870 -0.177 0.000 1.086 79 L CA 1.920 56.568 54.840 -0.320 0.000 0.760 79 L CB -0.800 41.009 42.059 -0.416 0.000 0.910 79 L HN 0.478 nan 8.230 nan 0.000 0.437 80 Q N -0.362 119.252 119.800 -0.309 0.000 2.167 80 Q HA -0.243 4.291 4.340 0.324 0.000 0.202 80 Q C 1.926 177.711 176.000 -0.359 0.000 0.970 80 Q CA 1.473 56.892 55.803 -0.641 0.000 0.855 80 Q CB 0.275 28.470 28.738 -0.905 0.000 0.911 80 Q HN 0.272 nan 8.270 nan 0.000 0.438 81 K N -0.612 119.631 120.400 -0.262 0.000 2.021 81 K HA -0.027 4.488 4.320 0.324 0.000 0.205 81 K C 1.879 178.373 176.600 -0.176 0.000 1.047 81 K CA 1.096 57.274 56.287 -0.181 0.000 0.943 81 K CB -0.314 32.120 32.500 -0.111 0.000 0.725 81 K HN -0.000 nan 8.250 nan 0.000 0.439 82 V N 0.788 120.548 119.914 -0.256 0.000 2.469 82 V HA -0.250 4.065 4.120 0.324 0.000 0.251 82 V C 2.255 178.270 176.094 -0.132 0.000 1.064 82 V CA 2.109 64.282 62.300 -0.210 0.000 1.066 82 V CB -0.562 31.088 31.823 -0.290 0.000 0.667 82 V HN 0.379 nan 8.190 nan 0.000 0.461 83 S N -1.537 114.088 115.700 -0.125 0.000 2.428 83 S HA -0.108 4.556 4.470 0.324 0.000 0.230 83 S C 1.259 175.824 174.600 -0.058 0.000 1.014 83 S CA 0.669 58.829 58.200 -0.067 0.000 0.957 83 S CB -0.098 63.110 63.200 0.014 0.000 0.784 83 S HN 0.649 nan 8.310 nan 0.000 0.499 93 S N 1.394 117.182 115.700 0.147 0.000 2.421 93 S HA 0.007 4.672 4.470 0.324 0.000 0.224 93 S C 1.760 176.477 174.600 0.194 0.000 1.035 93 S CA 0.129 58.498 58.200 0.281 0.000 0.953 93 S CB -0.119 63.203 63.200 0.205 0.000 0.810 93 S HN 0.523 nan 8.310 nan 0.000 0.497 94 I N 2.601 123.224 120.570 0.088 0.000 2.597 94 I HA -0.153 4.212 4.170 0.324 0.000 0.262 94 I C 2.256 178.367 176.117 -0.012 0.000 1.194 94 I CA 1.239 62.566 61.300 0.046 0.000 1.437 94 I CB -1.636 36.371 38.000 0.012 0.000 1.096 94 I HN 0.447 nan 8.210 nan 0.000 0.451 95 E N 1.867 122.010 120.200 -0.095 0.000 2.035 95 E HA -0.238 4.307 4.350 0.324 0.000 0.204 95 E C 0.543 176.946 176.600 -0.328 0.000 1.025 95 E CA 1.792 57.991 56.400 -0.334 0.000 0.835 95 E CB -0.356 28.969 29.700 -0.626 0.000 0.764 95 E HN 0.485 nan 8.360 nan 0.000 0.457 96 Y N -0.104 120.273 120.300 0.129 0.000 2.832 96 Y HA 0.385 5.129 4.550 0.324 0.000 0.372 96 Y C 1.135 177.178 175.900 0.240 0.000 1.238 96 Y CA -0.162 58.085 58.100 0.244 0.000 1.713 96 Y CB 0.544 39.312 38.460 0.513 0.000 1.809 96 Y HN 0.337 nan 8.280 nan 0.000 0.472 97 G N 0.785 109.708 108.800 0.206 0.000 2.256 97 G HA2 -0.333 3.822 3.960 0.324 0.000 0.279 97 G HA3 -0.333 3.822 3.960 0.324 0.000 0.279 97 G C 0.150 175.138 174.900 0.147 0.000 0.998 97 G CA 0.274 45.452 45.100 0.130 0.000 0.720 97 G HN 0.477 nan 8.290 nan 0.000 0.521 98 L N -0.503 120.861 121.223 0.234 0.000 2.326 98 L HA 0.616 5.151 4.340 0.324 0.000 0.278 98 L C 1.347 178.316 176.870 0.164 0.000 1.092 98 L CA 0.561 55.539 54.840 0.230 0.000 0.810 98 L CB 1.288 43.521 42.059 0.289 0.000 1.153 98 L HN 0.387 nan 8.230 nan 0.000 0.439 99 G N 1.283 110.172 108.800 0.149 0.000 2.313 99 G HA2 -0.210 3.945 3.960 0.324 0.000 0.098 99 G HA3 -0.210 3.945 3.960 0.324 0.000 0.098 99 G C -0.044 174.956 174.900 0.167 0.000 1.736 99 G CA 0.207 45.392 45.100 0.142 0.000 1.073 99 G HN 0.407 nan 8.290 nan 0.000 0.293 100 Y N 2.527 122.839 120.300 0.019 0.000 2.201 100 Y HA 0.225 4.969 4.550 0.325 0.000 0.274 100 Y C 2.588 178.509 175.900 0.035 0.000 1.085 100 Y CA 2.346 60.454 58.100 0.013 0.000 1.079 100 Y CB -0.468 37.977 38.460 -0.026 0.000 1.017 100 Y HN 0.442 nan 8.280 nan 0.000 0.480 101 E N -0.668 119.285 120.200 -0.412 0.000 2.382 101 E HA 0.115 4.660 4.350 0.324 0.000 0.190 101 E C -0.438 175.936 176.600 -0.375 0.000 1.125 101 E CA 0.322 56.328 56.400 -0.657 0.000 0.929 101 E CB -0.960 28.088 29.700 -1.086 0.000 1.053 101 E HN 0.247 nan 8.360 nan 0.000 0.475 102 C N 0.849 120.113 119.300 -0.060 0.000 2.996 102 C HA 0.213 4.868 4.460 0.324 0.000 0.221 102 C C -2.611 172.587 174.990 0.346 0.000 1.122 102 C CA -1.327 57.741 59.018 0.084 0.000 1.040 102 C CB -0.168 27.493 27.740 -0.132 0.000 1.804 102 C HN 0.258 nan 8.230 nan 0.000 0.659 103 P HA -0.067 nan 4.420 nan 0.000 0.235 103 P C 0.479 177.845 177.300 0.110 0.000 1.068 103 P CA 1.121 64.311 63.100 0.151 0.000 0.934 103 P CB 0.098 31.848 31.700 0.084 0.000 0.863 104 A N 3.253 126.134 122.820 0.103 0.000 3.051 104 A HA 0.251 4.766 4.320 0.324 0.000 0.257 104 A C 1.282 178.866 177.584 -0.000 0.000 1.785 104 A CA 0.425 52.492 52.037 0.050 0.000 1.420 104 A CB -0.908 18.135 19.000 0.071 0.000 1.063 104 A HN 0.503 nan 8.150 nan 0.000 0.630 105 T N -2.466 112.071 114.554 -0.030 0.000 1.938 105 T HA 0.327 4.872 4.350 0.324 0.000 0.190 105 T C 0.888 175.555 174.700 -0.055 0.000 0.738 105 T CA 0.179 62.258 62.100 -0.034 0.000 1.390 105 T CB -0.225 68.627 68.868 -0.026 0.000 3.294 105 T HN 0.456 nan 8.240 nan 0.000 0.416 106 E N 0.698 120.864 120.200 -0.056 0.000 3.787 106 E HA 0.284 4.829 4.350 0.324 0.000 0.418 106 E C 0.601 177.169 176.600 -0.054 0.000 1.529 106 E CA -0.035 56.339 56.400 -0.044 0.000 2.366 106 E CB -0.325 29.356 29.700 -0.032 0.000 1.118 106 E HN 0.745 nan 8.360 nan 0.000 0.671 107 G N 1.029 109.816 108.800 -0.022 0.000 2.716 107 G HA2 0.215 4.369 3.960 0.324 0.000 0.296 107 G HA3 0.215 4.369 3.960 0.324 0.000 0.296 107 G C 0.838 175.746 174.900 0.013 0.000 0.811 107 G CA 0.035 45.141 45.100 0.010 0.000 1.758 107 G HN 0.510 nan 8.290 nan 0.000 0.512 108 I N 0.266 120.801 120.570 -0.057 0.000 2.703 108 I HA 0.182 4.547 4.170 0.324 0.000 0.259 108 I C 2.109 178.237 176.117 0.019 0.000 1.151 108 I CA 0.053 61.269 61.300 -0.140 0.000 1.470 108 I CB -0.236 37.484 38.000 -0.467 0.000 1.112 108 I HN 0.311 nan 8.210 nan 0.000 0.437 109 F N 3.407 123.310 119.950 -0.080 0.000 2.045 109 F HA -0.331 4.391 4.527 0.325 0.000 0.297 109 F C 2.060 177.885 175.800 0.041 0.000 1.114 109 F CA 2.400 60.380 58.000 -0.033 0.000 1.207 109 F CB -0.469 38.494 39.000 -0.062 0.000 0.964 109 F HN 0.130 nan 8.300 nan 0.000 0.486 110 D N -0.642 119.867 120.400 0.183 0.000 2.103 110 D HA -0.302 4.533 4.640 0.324 0.000 0.190 110 D C 2.048 178.378 176.300 0.049 0.000 0.997 110 D CA 2.076 56.135 54.000 0.099 0.000 0.833 110 D CB -1.306 39.582 40.800 0.147 0.000 0.961 110 D HN 0.472 nan 8.370 nan 0.000 0.447 111 Y N 1.603 121.892 120.300 -0.018 0.000 2.102 111 Y HA -0.321 4.423 4.550 0.323 0.000 0.280 111 Y C 2.288 178.189 175.900 0.003 0.000 1.178 111 Y CA 2.153 60.258 58.100 0.008 0.000 1.146 111 Y CB -0.541 37.928 38.460 0.015 0.000 0.968 111 Y HN -0.013 nan 8.280 nan 0.000 0.504 112 A N 0.156 123.122 122.820 0.244 0.000 1.898 112 A HA -0.042 4.473 4.320 0.324 0.000 0.216 112 A C 2.427 179.985 177.584 -0.043 0.000 1.181 112 A CA 1.807 53.942 52.037 0.163 0.000 0.620 112 A CB -1.492 17.573 19.000 0.107 0.000 0.819 112 A HN 0.619 nan 8.150 nan 0.000 0.442 113 A N -0.252 122.433 122.820 -0.225 0.000 2.019 113 A HA 0.209 4.723 4.320 0.324 0.000 0.219 113 A C 2.417 179.914 177.584 -0.144 0.000 1.164 113 A CA 1.873 53.765 52.037 -0.241 0.000 0.644 113 A CB -0.803 17.976 19.000 -0.368 0.000 0.805 113 A HN 0.948 nan 8.150 nan 0.000 0.449 114 A N 0.199 122.944 122.820 -0.124 0.000 1.873 114 A HA -0.045 4.470 4.320 0.324 0.000 0.215 114 A C 2.093 179.575 177.584 -0.170 0.000 1.186 114 A CA 1.479 53.435 52.037 -0.134 0.000 0.616 114 A CB -0.565 18.392 19.000 -0.073 0.000 0.823 114 A HN 0.480 nan 8.150 nan 0.000 0.442 115 I N -0.305 120.196 120.570 -0.115 0.000 2.252 115 I HA -0.158 4.207 4.170 0.324 0.000 0.245 115 I C 2.699 178.732 176.117 -0.140 0.000 1.102 115 I CA 0.998 62.222 61.300 -0.126 0.000 1.385 115 I CB -0.723 37.125 38.000 -0.253 0.000 1.064 115 I HN 0.395 nan 8.210 nan 0.000 0.414 116 G N 0.841 109.591 108.800 -0.082 0.000 2.459 116 G HA2 -0.208 3.947 3.960 0.324 0.000 0.217 116 G HA3 -0.208 3.947 3.960 0.324 0.000 0.217 116 G C 1.743 176.593 174.900 -0.083 0.000 1.183 116 G CA 0.856 45.934 45.100 -0.038 0.000 0.776 116 G HN 0.484 nan 8.290 nan 0.000 0.552 117 G N 0.936 109.667 108.800 -0.116 0.000 2.448 117 G HA2 0.061 4.216 3.960 0.324 0.000 0.219 117 G HA3 0.061 4.216 3.960 0.324 0.000 0.219 117 G C 1.987 176.768 174.900 -0.198 0.000 1.127 117 G CA 1.496 46.515 45.100 -0.135 0.000 0.766 117 G HN 0.674 nan 8.290 nan 0.000 0.552 118 A N 0.206 122.857 122.820 -0.282 0.000 1.902 118 A HA -0.001 4.514 4.320 0.324 0.000 0.217 118 A C 2.503 179.947 177.584 -0.234 0.000 1.181 118 A CA 2.348 54.160 52.037 -0.374 0.000 0.623 118 A CB -0.770 17.912 19.000 -0.530 0.000 0.818 118 A HN 0.273 nan 8.150 nan 0.000 0.443 119 T N -0.037 114.414 114.554 -0.171 0.000 2.942 119 T HA 0.056 4.600 4.350 0.324 0.000 0.265 119 T C 1.724 176.364 174.700 -0.100 0.000 1.062 119 T CA 1.147 63.169 62.100 -0.131 0.000 1.139 119 T CB -0.290 68.518 68.868 -0.099 0.000 0.883 119 T HN 0.413 nan 8.240 nan 0.000 0.468 120 I N 1.083 121.601 120.570 -0.087 0.000 2.353 120 I HA -0.114 4.250 4.170 0.324 0.000 0.248 120 I C 2.570 178.647 176.117 -0.066 0.000 1.119 120 I CA 0.999 62.265 61.300 -0.057 0.000 1.417 120 I CB -0.560 37.417 38.000 -0.038 0.000 1.078 120 I HN 0.202 nan 8.210 nan 0.000 0.421 121 T N 0.970 115.465 114.554 -0.099 0.000 2.833 121 T HA -0.130 4.415 4.350 0.324 0.000 0.269 121 T C 2.010 176.657 174.700 -0.089 0.000 1.054 121 T CA 1.366 63.407 62.100 -0.098 0.000 1.135 121 T CB -0.199 68.584 68.868 -0.142 0.000 0.869 121 T HN 0.465 nan 8.240 nan 0.000 0.466 122 A N 1.426 124.181 122.820 -0.108 0.000 1.872 122 A HA 0.310 4.825 4.320 0.324 0.000 0.214 122 A C 2.685 180.226 177.584 -0.071 0.000 1.187 122 A CA 1.513 53.487 52.037 -0.105 0.000 0.614 122 A CB -1.148 17.767 19.000 -0.141 0.000 0.826 122 A HN 0.476 nan 8.150 nan 0.000 0.442 123 A N -0.799 121.985 122.820 -0.060 0.000 1.892 123 A HA -0.269 4.246 4.320 0.324 0.000 0.218 123 A C 2.157 179.745 177.584 0.007 0.000 1.188 123 A CA 2.361 54.380 52.037 -0.030 0.000 0.631 123 A CB -0.628 18.361 19.000 -0.018 0.000 0.822 123 A HN 0.519 nan 8.150 nan 0.000 0.447 124 Q N -0.079 119.721 119.800 -0.000 0.000 2.014 124 Q HA -0.203 4.332 4.340 0.324 0.000 0.207 124 Q C 2.104 178.117 176.000 0.023 0.000 0.993 124 Q CA 2.479 58.291 55.803 0.015 0.000 0.850 124 Q CB -1.263 27.472 28.738 -0.005 0.000 0.916 124 Q HN 0.667 nan 8.270 nan 0.000 0.417 125 C N 0.078 119.378 119.300 0.001 0.000 2.398 125 C HA -0.155 4.500 4.460 0.324 0.000 0.279 125 C C 2.447 177.455 174.990 0.029 0.000 1.250 125 C CA 0.541 59.563 59.018 0.006 0.000 1.786 125 C CB -1.324 26.408 27.740 -0.012 0.000 2.018 125 C HN 0.493 nan 8.230 nan 0.000 0.494 126 L N 1.123 122.366 121.223 0.034 0.000 2.093 126 L HA -0.076 4.459 4.340 0.324 0.000 0.208 126 L C 2.398 179.377 176.870 0.182 0.000 1.085 126 L CA 1.935 56.815 54.840 0.067 0.000 0.755 126 L CB -1.280 40.781 42.059 0.004 0.000 0.904 126 L HN 0.525 nan 8.230 nan 0.000 0.435 127 I N -2.951 117.732 120.570 0.189 0.000 2.400 127 I HA -0.078 4.287 4.170 0.324 0.000 0.248 127 I C 1.066 177.236 176.117 0.088 0.000 1.109 127 I CA 0.954 62.375 61.300 0.202 0.000 1.425 127 I CB -0.578 37.515 38.000 0.155 0.000 1.094 127 I HN 0.010 nan 8.210 nan 0.000 0.425 128 D N 2.121 122.557 120.400 0.060 0.000 2.355 128 D HA 0.075 4.909 4.640 0.324 0.000 0.253 128 D C 1.804 178.125 176.300 0.035 0.000 1.187 128 D CA 1.013 55.032 54.000 0.032 0.000 0.900 128 D CB -0.153 40.659 40.800 0.021 0.000 0.915 128 D HN 0.693 nan 8.370 nan 0.000 0.516 129 G N 1.463 110.297 108.800 0.057 0.000 2.219 129 G HA2 -0.439 3.715 3.960 0.324 0.000 0.271 129 G HA3 -0.439 3.715 3.960 0.324 0.000 0.271 129 G C 0.997 175.920 174.900 0.039 0.000 0.991 129 G CA 0.845 45.977 45.100 0.054 0.000 0.685 129 G HN 0.462 nan 8.290 nan 0.000 0.531 130 M N -0.118 119.501 119.600 0.032 0.000 2.435 130 M HA 0.098 4.773 4.480 0.324 0.000 0.262 130 M C 1.184 177.496 176.300 0.021 0.000 1.065 130 M CA 2.016 57.329 55.300 0.022 0.000 1.076 130 M CB -0.373 32.236 32.600 0.015 0.000 1.403 130 M HN 1.003 nan 8.290 nan 0.000 0.454 131 C N -3.616 115.700 119.300 0.025 0.000 3.259 131 C HA 0.478 5.133 4.460 0.324 0.000 0.344 131 C C 0.372 175.376 174.990 0.023 0.000 1.401 131 C CA -1.077 57.953 59.018 0.019 0.000 1.219 131 C CB 1.437 29.181 27.740 0.007 0.000 1.521 131 C HN 0.276 nan 8.230 nan 0.000 0.455 132 K N -0.229 120.179 120.400 0.013 0.000 2.370 132 K HA 0.569 5.083 4.320 0.324 0.000 0.194 132 K C -0.188 176.404 176.600 -0.014 0.000 1.070 132 K CA 0.693 56.988 56.287 0.013 0.000 0.998 132 K CB 0.494 33.004 32.500 0.016 0.000 0.911 132 K HN 0.716 nan 8.250 nan 0.000 0.533 133 V N 0.884 120.781 119.914 -0.028 0.000 2.686 133 V HA 0.740 5.054 4.120 0.324 0.000 0.306 133 V C -1.300 174.750 176.094 -0.073 0.000 1.065 133 V CA -1.081 61.183 62.300 -0.060 0.000 0.894 133 V CB 1.633 33.419 31.823 -0.062 0.000 1.004 133 V HN 0.103 nan 8.190 nan 0.000 0.424 134 A N 5.689 128.440 122.820 -0.114 0.000 2.343 134 A HA 0.928 5.442 4.320 0.324 0.000 0.308 134 A C -0.940 176.503 177.584 -0.235 0.000 1.092 134 A CA -0.480 51.477 52.037 -0.134 0.000 0.751 134 A CB 0.936 19.868 19.000 -0.113 0.000 1.203 134 A HN 0.762 nan 8.150 nan 0.000 0.452 135 I N 2.099 122.499 120.570 -0.283 0.000 2.441 135 I HA 0.407 4.772 4.170 0.324 0.000 0.295 135 I C -0.272 175.524 176.117 -0.535 0.000 0.994 135 I CA -0.646 60.338 61.300 -0.526 0.000 1.144 135 I CB 2.104 39.742 38.000 -0.604 0.000 1.314 135 I HN 0.662 nan 8.210 nan 0.000 0.445 136 N N 5.142 123.476 118.700 -0.611 0.000 2.710 136 N HA 0.203 5.137 4.740 0.324 0.000 0.244 136 N C -0.194 175.083 175.510 -0.389 0.000 1.321 136 N CA -0.625 52.182 53.050 -0.405 0.000 0.758 136 N CB 0.440 38.772 38.487 -0.258 0.000 1.284 136 N HN 0.573 nan 8.380 nan 0.000 0.530 137 W N 1.276 122.371 121.300 -0.341 0.000 2.421 137 W HA -0.023 4.835 4.660 0.329 0.000 0.270 137 W C 1.586 177.833 176.519 -0.453 0.000 1.233 137 W CA 0.181 57.198 57.345 -0.546 0.000 1.226 137 W CB 0.248 29.424 29.460 -0.474 0.000 1.121 137 W HN 0.386 nan 8.180 nan 0.000 0.579 138 S N -0.183 115.458 115.700 -0.098 0.000 2.607 138 S HA 0.117 4.781 4.470 0.324 0.000 0.224 138 S C 1.073 175.405 174.600 -0.447 0.000 0.969 138 S CA 0.470 58.534 58.200 -0.226 0.000 0.927 138 S CB -0.472 62.539 63.200 -0.316 0.000 0.772 138 S HN 0.251 nan 8.310 nan 0.000 0.533 139 G N -0.273 108.323 108.800 -0.340 0.000 2.671 139 G HA2 0.519 4.673 3.960 0.324 0.000 0.275 139 G HA3 0.519 4.673 3.960 0.324 0.000 0.275 139 G C 0.486 175.283 174.900 -0.171 0.000 1.368 139 G CA -0.250 44.629 45.100 -0.369 0.000 1.044 139 G HN 0.650 nan 8.290 nan 0.000 0.543 140 G N -2.142 106.675 108.800 0.028 0.000 2.215 140 G HA2 -0.195 3.960 3.960 0.324 0.000 0.198 140 G HA3 -0.195 3.960 3.960 0.324 0.000 0.198 140 G C 0.268 175.460 174.900 0.486 0.000 1.047 140 G CA -0.030 45.183 45.100 0.188 0.000 0.747 140 G HN 0.556 nan 8.290 nan 0.000 0.495 141 W N 1.691 123.045 121.300 0.089 0.000 1.992 141 W HA 0.229 5.082 4.660 0.323 0.000 0.449 141 W C 1.789 178.426 176.519 0.197 0.000 0.617 141 W CA -0.142 57.302 57.345 0.166 0.000 2.341 141 W CB -0.307 29.272 29.460 0.199 0.000 1.156 141 W HN 0.761 nan 8.180 nan 0.000 0.538 142 H N -2.550 116.621 119.070 0.168 0.000 2.560 142 H HA -0.144 4.607 4.556 0.325 0.000 0.283 142 H C 1.328 176.606 175.328 -0.085 0.000 1.028 142 H CA 0.875 56.922 56.048 -0.002 0.000 1.221 142 H CB 0.114 29.888 29.762 0.021 0.000 1.363 142 H HN 0.274 nan 8.280 nan 0.000 0.594 143 H N 1.080 120.204 119.070 0.090 0.000 2.525 143 H HA 0.325 5.076 4.556 0.324 0.000 0.275 143 H C 1.271 176.602 175.328 0.005 0.000 0.984 143 H CA 0.450 56.461 56.048 -0.061 0.000 1.264 143 H CB -0.153 29.600 29.762 -0.016 0.000 1.432 143 H HN 0.499 nan 8.280 nan 0.000 0.549 144 A N 2.690 125.624 122.820 0.189 0.000 2.587 144 A HA 0.055 4.570 4.320 0.324 0.000 0.235 144 A C 0.525 178.255 177.584 0.244 0.000 1.044 144 A CA 0.197 52.359 52.037 0.208 0.000 0.754 144 A CB 0.305 19.513 19.000 0.346 0.000 0.968 144 A HN 0.074 nan 8.150 nan 0.000 0.509 145 K N 1.409 121.884 120.400 0.124 0.000 2.132 145 K HA 0.207 4.721 4.320 0.324 0.000 0.241 145 K C 1.301 177.838 176.600 -0.105 0.000 1.000 145 K CA -0.294 56.023 56.287 0.050 0.000 0.911 145 K CB 0.956 33.422 32.500 -0.057 0.000 1.093 145 K HN 0.779 nan 8.250 nan 0.000 0.460 146 K N 0.095 120.233 120.400 -0.437 0.000 2.103 146 K HA -0.174 4.341 4.320 0.324 0.000 0.207 146 K C 0.161 176.511 176.600 -0.416 0.000 1.048 146 K CA 2.105 57.825 56.287 -0.946 0.000 0.930 146 K CB -0.048 31.977 32.500 -0.792 0.000 0.716 146 K HN 0.550 nan 8.250 nan 0.000 0.444 147 D N -0.243 119.941 120.400 -0.360 0.000 2.952 147 D HA 0.204 5.039 4.640 0.324 0.000 0.373 147 D C -1.118 174.940 176.300 -0.402 0.000 1.360 147 D CA -0.453 53.325 54.000 -0.370 0.000 0.788 147 D CB 0.234 41.020 40.800 -0.022 0.000 1.192 147 D HN 0.414 nan 8.370 nan 0.000 0.462 148 E N 0.210 119.959 120.200 -0.752 0.000 2.647 148 E HA 0.470 5.014 4.350 0.324 0.000 0.320 148 E C -1.348 175.113 176.600 -0.232 0.000 0.951 148 E CA -0.599 55.628 56.400 -0.288 0.000 0.809 148 E CB 1.596 31.270 29.700 -0.042 0.000 1.295 148 E HN 0.189 nan 8.360 nan 0.000 0.407 149 A N 2.480 125.310 122.820 0.016 0.000 2.346 149 A HA 0.656 5.171 4.320 0.324 0.000 0.252 149 A C -0.133 177.401 177.584 -0.084 0.000 1.089 149 A CA 0.312 52.356 52.037 0.012 0.000 0.797 149 A CB 1.208 20.248 19.000 0.068 0.000 1.047 149 A HN 0.402 nan 8.150 nan 0.000 0.494 150 S N -0.967 114.631 115.700 -0.169 0.000 2.560 150 S HA 0.492 5.157 4.470 0.324 0.000 0.283 150 S C 0.075 174.515 174.600 -0.266 0.000 1.141 150 S CA 0.665 58.769 58.200 -0.160 0.000 0.902 150 S CB 0.550 63.741 63.200 -0.015 0.000 1.104 150 S HN 2.696 nan 8.310 nan 0.000 0.454 151 G N 2.884 111.332 108.800 -0.587 0.000 2.356 151 G HA2 -0.233 3.922 3.960 0.324 0.000 0.296 151 G HA3 -0.233 3.922 3.960 0.324 0.000 0.296 151 G C 0.379 174.826 174.900 -0.754 0.000 1.022 151 G CA 0.613 45.082 45.100 -1.051 0.000 0.961 151 G HN 1.649 nan 8.290 nan 0.000 0.510 152 F N -4.144 115.499 119.950 -0.512 0.000 2.988 152 F HA -0.237 4.486 4.527 0.326 0.000 0.287 152 F C 1.226 176.592 175.800 -0.724 0.000 0.781 152 F CA -0.111 57.548 58.000 -0.567 0.000 1.221 152 F CB -2.187 36.569 39.000 -0.408 0.000 1.392 152 F HN 0.508 nan 8.300 nan 0.000 0.425 153 C N 0.446 119.413 119.300 -0.556 0.000 2.298 153 C HA 0.558 5.212 4.460 0.324 0.000 0.323 153 C C 1.377 176.183 174.990 -0.306 0.000 1.284 153 C CA -0.424 58.348 59.018 -0.409 0.000 1.577 153 C CB 0.014 27.678 27.740 -0.127 0.000 2.249 153 C HN 0.387 nan 8.230 nan 0.000 0.497 154 Y N 1.585 121.994 120.300 0.182 0.000 2.481 154 Y HA 0.460 5.204 4.550 0.324 0.000 0.258 154 Y C 0.421 176.485 175.900 0.272 0.000 1.103 154 Y CA -0.156 58.097 58.100 0.255 0.000 1.287 154 Y CB 0.153 38.740 38.460 0.212 0.000 1.108 154 Y HN 0.540 nan 8.280 nan 0.000 0.529 155 L N -0.010 121.501 121.223 0.479 0.000 2.434 155 L HA 0.478 5.013 4.340 0.324 0.000 0.260 155 L C -1.210 176.017 176.870 0.594 0.000 0.983 155 L CA -0.679 54.423 54.840 0.438 0.000 0.820 155 L CB 1.885 44.152 42.059 0.346 0.000 1.361 155 L HN -0.148 nan 8.230 nan 0.000 0.410 156 N N 2.476 121.603 118.700 0.711 0.000 2.699 156 N HA 0.114 5.049 4.740 0.324 0.000 0.232 156 N C 0.130 175.750 175.510 0.183 0.000 1.027 156 N CA -0.108 53.159 53.050 0.362 0.000 0.920 156 N CB 0.749 39.313 38.487 0.130 0.000 1.148 156 N HN 0.822 nan 8.380 nan 0.000 0.509 157 D N 2.313 122.833 120.400 0.199 0.000 2.117 157 D HA -0.184 4.650 4.640 0.324 0.000 0.197 157 D C 1.391 177.694 176.300 0.005 0.000 0.987 157 D CA 0.714 54.758 54.000 0.072 0.000 0.829 157 D CB -0.153 40.654 40.800 0.010 0.000 0.961 157 D HN 0.377 nan 8.370 nan 0.000 0.460 158 A N 1.273 124.102 122.820 0.016 0.000 1.892 158 A HA -0.145 4.369 4.320 0.324 0.000 0.218 158 A C 2.719 180.226 177.584 -0.127 0.000 1.188 158 A CA 2.145 54.156 52.037 -0.045 0.000 0.631 158 A CB -1.003 17.970 19.000 -0.045 0.000 0.822 158 A HN 0.218 nan 8.150 nan 0.000 0.447 159 V N 0.093 119.885 119.914 -0.202 0.000 2.270 159 V HA -0.247 4.067 4.120 0.324 0.000 0.245 159 V C 2.531 178.536 176.094 -0.148 0.000 1.043 159 V CA 1.911 64.058 62.300 -0.256 0.000 1.014 159 V CB -0.811 30.480 31.823 -0.887 0.000 0.645 159 V HN 0.584 nan 8.190 nan 0.000 0.447 160 L N 0.449 121.584 121.223 -0.147 0.000 2.189 160 L HA -0.156 4.379 4.340 0.324 0.000 0.214 160 L C 2.445 179.311 176.870 -0.006 0.000 1.097 160 L CA 1.598 56.421 54.840 -0.029 0.000 0.764 160 L CB -0.971 41.106 42.059 0.031 0.000 0.900 160 L HN 0.512 nan 8.230 nan 0.000 0.436 161 G N -0.121 108.663 108.800 -0.027 0.000 2.411 161 G HA2 -0.095 4.060 3.960 0.324 0.000 0.213 161 G HA3 -0.095 4.060 3.960 0.324 0.000 0.213 161 G C 1.568 176.457 174.900 -0.019 0.000 1.166 161 G CA 0.166 45.251 45.100 -0.026 0.000 0.802 161 G HN 0.237 nan 8.290 nan 0.000 0.533 162 I N 0.651 121.203 120.570 -0.031 0.000 2.226 162 I HA -0.102 4.262 4.170 0.324 0.000 0.245 162 I C 2.613 178.739 176.117 0.014 0.000 1.100 162 I CA 0.653 61.913 61.300 -0.066 0.000 1.374 162 I CB -0.156 37.706 38.000 -0.230 0.000 1.057 162 I HN 0.082 nan 8.210 nan 0.000 0.413 163 L N 0.241 121.527 121.223 0.106 0.000 2.127 163 L HA -0.229 4.306 4.340 0.324 0.000 0.211 163 L C 2.679 179.604 176.870 0.092 0.000 1.089 163 L CA 1.110 56.034 54.840 0.139 0.000 0.757 163 L CB -0.540 41.603 42.059 0.140 0.000 0.899 163 L HN 0.251 nan 8.230 nan 0.000 0.434 164 R N 0.707 121.246 120.500 0.065 0.000 2.119 164 R HA -0.050 4.485 4.340 0.324 0.000 0.222 164 R C 2.042 178.395 176.300 0.089 0.000 1.088 164 R CA 1.203 57.340 56.100 0.062 0.000 0.984 164 R CB -0.467 29.856 30.300 0.039 0.000 0.884 164 R HN 0.250 nan 8.270 nan 0.000 0.447 165 L N 0.283 121.559 121.223 0.087 0.000 2.275 165 L HA -0.016 4.518 4.340 0.324 0.000 0.215 165 L C 2.056 179.074 176.870 0.247 0.000 1.119 165 L CA 0.655 55.594 54.840 0.166 0.000 0.790 165 L CB -0.281 41.796 42.059 0.030 0.000 0.919 165 L HN 0.069 nan 8.230 nan 0.000 0.443 166 R N 0.321 120.908 120.500 0.144 0.000 2.241 166 R HA -0.079 4.456 4.340 0.324 0.000 0.224 166 R C 2.147 178.511 176.300 0.107 0.000 1.101 166 R CA 0.768 56.946 56.100 0.130 0.000 0.995 166 R CB -0.375 29.988 30.300 0.106 0.000 0.870 166 R HN 0.442 nan 8.270 nan 0.000 0.463 167 R N 0.117 120.677 120.500 0.099 0.000 2.092 167 R HA -0.064 4.471 4.340 0.324 0.000 0.231 167 R C 1.620 177.924 176.300 0.007 0.000 1.119 167 R CA 1.030 57.161 56.100 0.052 0.000 0.970 167 R CB 0.114 30.443 30.300 0.049 0.000 0.864 167 R HN 0.010 nan 8.270 nan 0.000 0.440 168 K N 0.384 120.782 120.400 -0.004 0.000 2.467 168 K HA 0.134 4.649 4.320 0.324 0.000 0.231 168 K C 0.567 177.035 176.600 -0.220 0.000 1.065 168 K CA 0.134 56.285 56.287 -0.227 0.000 1.004 168 K CB -0.764 31.397 32.500 -0.565 0.000 1.309 168 K HN -0.106 nan 8.250 nan 0.000 0.462 169 F N 3.568 123.523 119.950 0.009 0.000 2.604 169 F HA -0.096 4.626 4.527 0.325 0.000 0.390 169 F C 1.646 177.452 175.800 0.009 0.000 1.053 169 F CA 0.490 58.496 58.000 0.009 0.000 1.256 169 F CB 0.056 39.069 39.000 0.021 0.000 0.996 169 F HN 0.183 nan 8.300 nan 0.000 0.564 170 E N 2.471 122.744 120.200 0.122 0.000 2.442 170 E HA 0.043 4.587 4.350 0.324 0.000 0.195 170 E C 0.306 176.964 176.600 0.096 0.000 1.030 170 E CA 0.514 56.957 56.400 0.072 0.000 0.869 170 E CB 0.225 29.932 29.700 0.012 0.000 0.857 170 E HN 0.563 nan 8.360 nan 0.000 0.505 171 R N 0.607 121.188 120.500 0.135 0.000 2.518 171 R HA 0.393 4.928 4.340 0.324 0.000 0.296 171 R C -0.936 175.540 176.300 0.292 0.000 1.080 171 R CA -0.524 55.686 56.100 0.184 0.000 0.922 171 R CB 1.255 31.453 30.300 -0.170 0.000 1.184 171 R HN -0.113 nan 8.270 nan 0.000 0.445 172 I N 3.012 123.755 120.570 0.289 0.000 2.525 172 I HA 0.350 4.715 4.170 0.324 0.000 0.301 172 I C -0.569 175.657 176.117 0.181 0.000 0.992 172 I CA -0.854 60.541 61.300 0.158 0.000 1.162 172 I CB 1.542 39.529 38.000 -0.020 0.000 1.332 172 I HN 0.349 nan 8.210 nan 0.000 0.458 173 L N 6.709 128.021 121.223 0.150 0.000 2.325 173 L HA 0.479 5.014 4.340 0.324 0.000 0.281 173 L C -1.565 175.374 176.870 0.115 0.000 1.004 173 L CA -0.475 54.419 54.840 0.091 0.000 0.823 173 L CB 0.964 43.134 42.059 0.185 0.000 1.236 173 L HN 0.501 nan 8.230 nan 0.000 0.415 174 Y N 5.277 125.551 120.300 -0.044 0.000 2.331 174 Y HA 0.674 5.418 4.550 0.324 0.000 0.338 174 Y C -1.174 174.757 175.900 0.051 0.000 0.976 174 Y CA -0.829 57.267 58.100 -0.007 0.000 1.137 174 Y CB 1.445 39.886 38.460 -0.032 0.000 1.172 174 Y HN 0.378 nan 8.280 nan 0.000 0.478 175 V N 6.922 126.564 119.914 -0.454 0.000 2.326 175 V HA 0.204 4.518 4.120 0.324 0.000 0.281 175 V C -0.686 175.095 176.094 -0.522 0.000 1.015 175 V CA -0.860 61.230 62.300 -0.350 0.000 0.823 175 V CB 1.259 33.028 31.823 -0.089 0.000 1.009 175 V HN 0.709 nan 8.190 nan 0.000 0.436 176 D N 4.786 124.908 120.400 -0.463 0.000 2.317 176 D HA 0.353 5.188 4.640 0.324 0.000 0.234 176 D C 0.317 176.667 176.300 0.084 0.000 1.112 176 D CA -0.165 53.719 54.000 -0.192 0.000 0.840 176 D CB 1.736 42.574 40.800 0.063 0.000 1.078 176 D HN 0.454 nan 8.370 nan 0.000 0.486 177 L N 3.138 124.439 121.223 0.131 0.000 2.910 177 L HA 0.199 4.733 4.340 0.324 0.000 0.252 177 L C 0.728 177.764 176.870 0.276 0.000 1.195 177 L CA -0.417 54.572 54.840 0.249 0.000 1.003 177 L CB 0.218 42.427 42.059 0.250 0.000 1.328 177 L HN 0.325 nan 8.230 nan 0.000 0.540 178 D N 0.085 120.644 120.400 0.265 0.000 2.361 178 D HA -0.024 4.810 4.640 0.324 0.000 0.239 178 D C 1.162 177.629 176.300 0.277 0.000 1.200 178 D CA -0.210 53.954 54.000 0.273 0.000 0.915 178 D CB 1.210 42.167 40.800 0.261 0.000 1.170 178 D HN -0.051 nan 8.370 nan 0.000 0.444 179 L N 1.826 123.141 121.223 0.153 0.000 2.191 179 L HA -0.004 4.530 4.340 0.324 0.000 0.212 179 L C 0.114 176.988 176.870 0.006 0.000 1.103 179 L CA 1.716 56.478 54.840 -0.131 0.000 0.769 179 L CB -0.597 41.269 42.059 -0.322 0.000 0.908 179 L HN 0.472 nan 8.230 nan 0.000 0.438 180 H N -1.747 117.600 119.070 0.462 0.000 2.496 180 H HA 0.255 5.006 4.556 0.324 0.000 0.342 180 H C -0.347 175.282 175.328 0.502 0.000 1.170 180 H CA -0.457 55.917 56.048 0.543 0.000 1.274 180 H CB 0.358 30.486 29.762 0.609 0.000 1.538 180 H HN 0.138 nan 8.280 nan 0.000 0.542 181 H N 0.827 120.054 119.070 0.262 0.000 2.848 181 H HA 0.072 4.823 4.556 0.324 0.000 0.317 181 H C 0.449 175.780 175.328 0.005 0.000 1.046 181 H CA -0.530 55.422 56.048 -0.161 0.000 1.470 181 H CB 0.502 29.868 29.762 -0.661 0.000 1.483 181 H HN 0.937 nan 8.280 nan 0.000 0.548 182 G N 5.006 113.772 108.800 -0.057 0.000 3.197 182 G HA2 -0.127 4.028 3.960 0.324 0.000 0.257 182 G HA3 -0.127 4.028 3.960 0.324 0.000 0.257 182 G C 1.007 175.600 174.900 -0.511 0.000 0.835 182 G CA 0.014 45.007 45.100 -0.179 0.000 2.001 182 G HN 0.867 nan 8.290 nan 0.000 0.625 183 D N 1.253 121.113 120.400 -0.900 0.000 2.104 183 D HA -0.176 4.658 4.640 0.324 0.000 0.194 183 D C 2.285 178.436 176.300 -0.248 0.000 0.994 183 D CA 1.432 54.998 54.000 -0.724 0.000 0.830 183 D CB -0.942 39.598 40.800 -0.434 0.000 0.959 183 D HN 0.259 nan 8.370 nan 0.000 0.452 184 G N 0.723 109.435 108.800 -0.146 0.000 2.529 184 G HA2 -0.276 3.879 3.960 0.324 0.000 0.219 184 G HA3 -0.276 3.879 3.960 0.324 0.000 0.219 184 G C 1.924 176.798 174.900 -0.043 0.000 1.177 184 G CA 2.065 47.145 45.100 -0.032 0.000 0.773 184 G HN 0.355 nan 8.290 nan 0.000 0.573 185 V N 0.612 120.477 119.914 -0.082 0.000 2.667 185 V HA -0.080 4.235 4.120 0.324 0.000 0.252 185 V C 2.458 178.562 176.094 0.017 0.000 1.065 185 V CA 2.021 64.242 62.300 -0.132 0.000 1.083 185 V CB -0.196 31.407 31.823 -0.368 0.000 0.692 185 V HN 0.598 nan 8.190 nan 0.000 0.468 186 E N 0.522 120.747 120.200 0.042 0.000 2.046 186 E HA -0.239 4.306 4.350 0.324 0.000 0.190 186 E C 1.836 178.477 176.600 0.068 0.000 0.982 186 E CA 1.466 57.936 56.400 0.117 0.000 0.800 186 E CB -0.057 29.724 29.700 0.136 0.000 0.756 186 E HN 0.575 nan 8.360 nan 0.000 0.449 187 D N 0.740 121.149 120.400 0.016 0.000 2.158 187 D HA -0.194 4.641 4.640 0.324 0.000 0.197 187 D C 1.836 178.142 176.300 0.011 0.000 0.995 187 D CA 1.384 55.392 54.000 0.013 0.000 0.846 187 D CB -0.481 40.331 40.800 0.021 0.000 0.941 187 D HN 0.323 nan 8.370 nan 0.000 0.456 188 A N 0.016 122.796 122.820 -0.067 0.000 1.917 188 A HA -0.167 4.348 4.320 0.324 0.000 0.219 188 A C 1.660 178.950 177.584 -0.490 0.000 1.182 188 A CA 1.248 53.120 52.037 -0.275 0.000 0.633 188 A CB -0.726 17.889 19.000 -0.642 0.000 0.819 188 A HN 0.279 nan 8.150 nan 0.000 0.448 189 F N -0.308 119.672 119.950 0.049 0.000 2.682 189 F HA 0.110 4.831 4.527 0.324 0.000 0.308 189 F C 2.153 177.985 175.800 0.053 0.000 1.093 189 F CA 0.422 58.458 58.000 0.059 0.000 1.244 189 F CB 0.064 39.073 39.000 0.014 0.000 1.052 189 F HN 0.233 nan 8.300 nan 0.000 0.573 190 S N -0.277 115.485 115.700 0.103 0.000 2.512 190 S HA -0.227 4.438 4.470 0.324 0.000 0.253 190 S C 1.164 175.610 174.600 -0.256 0.000 0.984 190 S CA 1.310 59.453 58.200 -0.095 0.000 0.962 190 S CB -0.901 62.145 63.200 -0.257 0.000 0.747 190 S HN 0.371 nan 8.310 nan 0.000 0.525 191 F N 0.873 120.877 119.950 0.091 0.000 2.706 191 F HA 0.400 5.122 4.527 0.324 0.000 0.313 191 F C 1.195 177.031 175.800 0.061 0.000 1.096 191 F CA -0.156 57.884 58.000 0.068 0.000 1.219 191 F CB 0.689 39.714 39.000 0.043 0.000 1.051 191 F HN 0.229 nan 8.300 nan 0.000 0.568 192 T N -1.360 113.326 114.554 0.220 0.000 2.950 192 T HA 0.382 4.927 4.350 0.324 0.000 0.288 192 T C 0.939 175.602 174.700 -0.061 0.000 1.035 192 T CA -0.018 62.151 62.100 0.113 0.000 1.028 192 T CB 1.509 70.484 68.868 0.179 0.000 1.109 192 T HN 0.024 nan 8.240 nan 0.000 0.514 193 S N 1.496 117.044 115.700 -0.253 0.000 2.539 193 S HA 0.273 4.937 4.470 0.324 0.000 0.221 193 S C 1.394 175.880 174.600 -0.191 0.000 0.987 193 S CA -0.542 57.187 58.200 -0.785 0.000 0.929 193 S CB 0.054 62.535 63.200 -1.197 0.000 0.832 193 S HN 0.584 nan 8.310 nan 0.000 0.492 194 K N 1.221 121.618 120.400 -0.004 0.000 2.217 194 K HA 0.241 4.755 4.320 0.324 0.000 0.202 194 K C 0.167 176.888 176.600 0.201 0.000 1.051 194 K CA 0.481 56.840 56.287 0.121 0.000 0.952 194 K CB 0.048 32.599 32.500 0.085 0.000 0.736 194 K HN 0.339 nan 8.250 nan 0.000 0.453 195 V N 1.461 121.412 119.914 0.060 0.000 2.735 195 V HA 0.390 4.705 4.120 0.324 0.000 0.310 195 V C -0.635 175.359 176.094 -0.167 0.000 1.061 195 V CA -0.830 61.397 62.300 -0.122 0.000 0.913 195 V CB 2.045 33.521 31.823 -0.578 0.000 1.005 195 V HN 0.097 nan 8.190 nan 0.000 0.428 196 M N 4.617 124.012 119.600 -0.342 0.000 2.190 196 M HA 0.573 5.248 4.480 0.324 0.000 0.312 196 M C -0.254 175.983 176.300 -0.105 0.000 0.990 196 M CA -0.222 54.876 55.300 -0.336 0.000 0.927 196 M CB 1.840 33.913 32.600 -0.878 0.000 1.571 196 M HN 0.845 nan 8.290 nan 0.000 0.427 197 T N 2.183 116.766 114.554 0.049 0.000 2.837 197 T HA 0.685 5.230 4.350 0.324 0.000 0.285 197 T C -0.705 174.081 174.700 0.143 0.000 0.984 197 T CA -0.660 61.570 62.100 0.217 0.000 1.049 197 T CB 1.105 70.160 68.868 0.312 0.000 0.947 197 T HN 0.479 nan 8.240 nan 0.000 0.472 198 V N 3.175 123.162 119.914 0.121 0.000 2.462 198 V HA 0.572 4.886 4.120 0.324 0.000 0.288 198 V C -0.091 176.059 176.094 0.092 0.000 1.020 198 V CA -0.813 61.531 62.300 0.073 0.000 0.857 198 V CB 1.397 33.234 31.823 0.024 0.000 1.013 198 V HN 1.067 nan 8.190 nan 0.000 0.431 199 S N 5.308 121.128 115.700 0.201 0.000 2.478 199 S HA 0.767 5.431 4.470 0.324 0.000 0.312 199 S C -0.950 173.799 174.600 0.248 0.000 1.094 199 S CA -0.454 57.948 58.200 0.337 0.000 1.081 199 S CB 0.972 64.561 63.200 0.648 0.000 1.007 199 S HN 0.495 nan 8.310 nan 0.000 0.475 200 L N 6.818 128.155 121.223 0.191 0.000 2.297 200 L HA 0.485 5.020 4.340 0.324 0.000 0.277 200 L C -0.443 176.576 176.870 0.250 0.000 1.040 200 L CA -0.175 54.700 54.840 0.058 0.000 0.867 200 L CB 0.356 42.437 42.059 0.037 0.000 1.244 200 L HN 0.799 nan 8.230 nan 0.000 0.433 201 H N -0.054 119.201 119.070 0.308 0.000 2.717 201 H HA 0.526 5.277 4.556 0.324 0.000 0.366 201 H C -0.436 175.088 175.328 0.327 0.000 1.132 201 H CA -1.469 54.778 56.048 0.332 0.000 1.180 201 H CB 0.902 30.879 29.762 0.358 0.000 1.678 201 H HN 0.307 nan 8.280 nan 0.000 0.537 202 K N 2.281 122.856 120.400 0.292 0.000 2.484 202 K HA 0.122 4.636 4.320 0.324 0.000 0.280 202 K C -1.464 175.283 176.600 0.244 0.000 1.013 202 K CA -0.065 56.322 56.287 0.167 0.000 1.029 202 K CB 0.171 32.446 32.500 -0.376 0.000 0.902 202 K HN 0.579 nan 8.250 nan 0.000 0.481 203 F N 3.733 123.729 119.950 0.076 0.000 2.507 203 F HA 0.460 5.182 4.527 0.324 0.000 0.328 203 F C -1.145 174.669 175.800 0.023 0.000 1.136 203 F CA -0.198 57.875 58.000 0.122 0.000 0.930 203 F CB 1.913 41.003 39.000 0.149 0.000 1.166 203 F HN 0.616 nan 8.300 nan 0.000 0.436 204 S N 5.817 121.278 115.700 -0.399 0.000 2.558 204 S HA 0.546 5.210 4.470 0.324 0.000 0.277 204 S C -3.100 171.330 174.600 -0.283 0.000 1.143 204 S CA -1.127 56.931 58.200 -0.236 0.000 0.865 204 S CB 1.582 64.718 63.200 -0.107 0.000 1.102 204 S HN 0.394 nan 8.310 nan 0.000 0.454 205 P HA 0.302 nan 4.420 nan 0.000 0.260 205 P C 0.549 177.824 177.300 -0.041 0.000 1.185 205 P CA 1.440 64.470 63.100 -0.117 0.000 0.763 205 P CB 0.133 31.805 31.700 -0.046 0.000 0.776 206 G N 2.177 110.953 108.800 -0.039 0.000 2.171 206 G HA2 -0.243 3.911 3.960 0.324 0.000 0.238 206 G HA3 -0.243 3.911 3.960 0.324 0.000 0.238 206 G C -0.450 174.512 174.900 0.103 0.000 1.039 206 G CA -0.577 44.532 45.100 0.016 0.000 0.759 206 G HN 0.517 nan 8.290 nan 0.000 0.501 207 F N 0.383 120.288 119.950 -0.075 0.000 2.507 207 F HA 0.695 5.417 4.527 0.323 0.000 0.328 207 F C 0.184 175.999 175.800 0.025 0.000 1.136 207 F CA -2.188 55.813 58.000 0.002 0.000 0.930 207 F CB 0.855 39.844 39.000 -0.018 0.000 1.166 207 F HN 0.144 nan 8.300 nan 0.000 0.436 208 F N 9.046 128.715 119.950 -0.469 0.000 2.607 208 F HA 0.222 4.944 4.527 0.325 0.000 0.374 208 F C -1.437 174.279 175.800 -0.140 0.000 1.104 208 F CA -1.157 56.629 58.000 -0.357 0.000 1.296 208 F CB 0.847 39.550 39.000 -0.494 0.000 1.085 208 F HN 0.385 nan 8.300 nan 0.000 0.584 209 P HA 0.189 nan 4.420 nan 0.000 0.261 209 P C 0.794 177.741 177.300 -0.587 0.000 1.268 209 P CA 1.192 63.440 63.100 -1.419 0.000 0.833 209 P CB 0.570 31.419 31.700 -1.418 0.000 1.231 210 G N 0.069 108.698 108.800 -0.285 0.000 2.358 210 G HA2 -0.254 3.901 3.960 0.324 0.000 0.224 210 G HA3 -0.254 3.901 3.960 0.324 0.000 0.224 210 G C 0.552 175.380 174.900 -0.120 0.000 1.073 210 G CA 0.479 45.449 45.100 -0.217 0.000 0.635 210 G HN 0.608 nan 8.290 nan 0.000 0.509 211 T N -1.918 112.631 114.554 -0.007 0.000 2.810 211 T HA 0.600 5.144 4.350 0.324 0.000 0.277 211 T C 1.564 176.355 174.700 0.153 0.000 0.973 211 T CA 1.014 63.201 62.100 0.145 0.000 0.949 211 T CB 1.469 70.430 68.868 0.155 0.000 1.075 211 T HN 2.259 nan 8.240 nan 0.000 0.537 212 G N -0.046 108.679 108.800 -0.125 0.000 2.131 212 G HA2 -0.147 4.007 3.960 0.324 0.000 0.201 212 G HA3 -0.147 4.007 3.960 0.324 0.000 0.201 212 G C -0.197 174.580 174.900 -0.206 0.000 1.000 212 G CA 0.019 44.746 45.100 -0.621 0.000 0.680 212 G HN 1.024 nan 8.290 nan 0.000 0.514 213 D N -0.578 119.599 120.400 -0.372 0.000 2.369 213 D HA 0.279 5.113 4.640 0.324 0.000 0.241 213 D C 1.694 177.678 176.300 -0.528 0.000 1.271 213 D CA 0.316 53.756 54.000 -0.933 0.000 0.942 213 D CB 1.342 41.735 40.800 -0.678 0.000 1.129 213 D HN 0.342 nan 8.370 nan 0.000 0.476 214 V N 1.403 120.981 119.914 -0.559 0.000 2.667 214 V HA -0.163 4.152 4.120 0.324 0.000 0.252 214 V C 2.080 177.884 176.094 -0.482 0.000 1.065 214 V CA 2.515 64.535 62.300 -0.468 0.000 1.083 214 V CB -0.557 30.951 31.823 -0.524 0.000 0.692 214 V HN 0.658 nan 8.190 nan 0.000 0.468 215 S N -0.337 115.074 115.700 -0.483 0.000 2.474 215 S HA -0.125 4.539 4.470 0.324 0.000 0.235 215 S C 0.968 175.467 174.600 -0.169 0.000 0.997 215 S CA 0.745 58.749 58.200 -0.326 0.000 0.949 215 S CB -0.562 62.511 63.200 -0.211 0.000 0.766 215 S HN 0.719 nan 8.310 nan 0.000 0.517 216 D N 1.772 122.062 120.400 -0.183 0.000 2.339 216 D HA 0.247 5.081 4.640 0.324 0.000 0.256 216 D C 0.755 176.990 176.300 -0.108 0.000 1.214 216 D CA 0.080 54.007 54.000 -0.122 0.000 0.877 216 D CB 1.376 42.109 40.800 -0.111 0.000 1.111 216 D HN 0.211 nan 8.370 nan 0.000 0.478 217 V N 1.169 121.008 119.914 -0.124 0.000 3.392 217 V HA 0.627 4.942 4.120 0.324 0.000 0.294 217 V C 0.781 176.785 176.094 -0.150 0.000 1.561 217 V CA 0.355 62.569 62.300 -0.143 0.000 1.056 217 V CB -0.171 31.497 31.823 -0.258 0.000 0.882 217 V HN 0.791 nan 8.190 nan 0.000 0.440 218 G N 0.801 109.509 108.800 -0.153 0.000 2.384 218 G HA2 0.244 4.399 3.960 0.324 0.000 0.668 218 G HA3 0.244 4.399 3.960 0.324 0.000 0.668 218 G C -1.715 173.039 174.900 -0.244 0.000 1.280 218 G CA -0.346 44.648 45.100 -0.177 0.000 0.992 218 G HN 0.421 nan 8.290 nan 0.000 0.512 219 L N 0.498 121.508 121.223 -0.355 0.000 2.376 219 L HA 0.836 5.371 4.340 0.324 0.000 0.258 219 L C 1.577 178.446 176.870 -0.003 0.000 1.013 219 L CA 0.768 55.433 54.840 -0.291 0.000 0.822 219 L CB 0.531 42.211 42.059 -0.631 0.000 1.388 219 L HN 2.599 nan 8.230 nan 0.000 0.413 220 G N 2.361 111.280 108.800 0.198 0.000 2.614 220 G HA2 -0.335 3.820 3.960 0.324 0.000 0.303 220 G HA3 -0.335 3.820 3.960 0.324 0.000 0.303 220 G C 0.648 175.671 174.900 0.205 0.000 1.270 220 G CA 0.587 45.847 45.100 0.267 0.000 0.988 220 G HN 0.795 nan 8.290 nan 0.000 0.551 221 K N 1.784 122.305 120.400 0.201 0.000 2.589 221 K HA 0.095 4.610 4.320 0.324 0.000 0.192 221 K C 1.872 178.550 176.600 0.130 0.000 1.029 221 K CA 1.428 57.807 56.287 0.153 0.000 1.031 221 K CB -0.306 32.254 32.500 0.099 0.000 0.821 221 K HN 0.890 nan 8.250 nan 0.000 0.502 222 G N 1.257 110.155 108.800 0.163 0.000 3.126 222 G HA2 -0.052 4.103 3.960 0.324 0.000 0.224 222 G HA3 -0.052 4.103 3.960 0.324 0.000 0.224 222 G C 0.402 175.442 174.900 0.233 0.000 1.142 222 G CA -0.547 44.643 45.100 0.150 0.000 0.759 222 G HN 0.250 nan 8.290 nan 0.000 0.550 223 R N -0.183 120.427 120.500 0.183 0.000 2.538 223 R HA 0.098 4.633 4.340 0.324 0.000 0.282 223 R C 0.012 176.413 176.300 0.168 0.000 1.009 223 R CA 0.179 56.296 56.100 0.028 0.000 1.063 223 R CB -0.132 30.170 30.300 0.004 0.000 0.945 223 R HN 0.356 nan 8.270 nan 0.000 0.414 224 Y N 1.318 121.668 120.300 0.083 0.000 4.936 224 Y HA -0.310 4.434 4.550 0.324 0.000 0.266 224 Y C -0.166 175.625 175.900 -0.181 0.000 0.909 224 Y CA 1.103 59.167 58.100 -0.060 0.000 1.828 224 Y CB -2.095 36.301 38.460 -0.107 0.000 1.283 224 Y HN 0.708 nan 8.280 nan 0.000 0.511 225 Y N -0.235 120.118 120.300 0.089 0.000 2.532 225 Y HA 0.516 5.260 4.550 0.324 0.000 0.283 225 Y C 0.450 176.334 175.900 -0.026 0.000 1.181 225 Y CA 0.315 58.432 58.100 0.028 0.000 1.256 225 Y CB 0.775 39.263 38.460 0.048 0.000 1.112 225 Y HN -0.059 nan 8.280 nan 0.000 0.521 226 S N 0.252 115.992 115.700 0.066 0.000 2.707 226 S HA 0.546 5.211 4.470 0.324 0.000 0.303 226 S C -0.742 173.874 174.600 0.027 0.000 1.132 226 S CA -0.691 57.543 58.200 0.057 0.000 1.046 226 S CB 1.631 64.864 63.200 0.055 0.000 1.004 226 S HN -0.131 nan 8.310 nan 0.000 0.483 227 V N 4.288 124.225 119.914 0.039 0.000 2.483 227 V HA 0.551 4.866 4.120 0.324 0.000 0.295 227 V C -0.304 175.817 176.094 0.046 0.000 1.035 227 V CA -0.738 61.573 62.300 0.019 0.000 0.896 227 V CB 1.581 33.404 31.823 0.001 0.000 0.986 227 V HN 0.803 nan 8.190 nan 0.000 0.447 228 N N 2.781 121.474 118.700 -0.012 0.000 2.430 228 N HA 0.432 5.367 4.740 0.324 0.000 0.290 228 N C -1.304 174.108 175.510 -0.164 0.000 1.063 228 N CA -0.320 52.721 53.050 -0.015 0.000 0.883 228 N CB 2.591 41.055 38.487 -0.039 0.000 1.465 228 N HN 0.362 nan 8.380 nan 0.000 0.493 229 V N 3.964 123.722 119.914 -0.260 0.000 2.239 229 V HA 0.265 4.579 4.120 0.324 0.000 0.267 229 V C -2.033 173.809 176.094 -0.420 0.000 1.056 229 V CA -1.533 60.585 62.300 -0.302 0.000 0.830 229 V CB 0.899 32.577 31.823 -0.241 0.000 1.090 229 V HN 0.470 nan 8.190 nan 0.000 0.459 230 P HA 0.276 nan 4.420 nan 0.000 0.267 230 P C -0.478 176.747 177.300 -0.126 0.000 1.209 230 P CA 0.447 63.388 63.100 -0.265 0.000 0.763 230 P CB 1.344 32.794 31.700 -0.416 0.000 0.816 231 I N 2.244 122.818 120.570 0.006 0.000 3.067 231 I HA 0.363 4.727 4.170 0.324 0.000 0.312 231 I C 0.464 176.646 176.117 0.107 0.000 1.073 231 I CA -1.147 60.166 61.300 0.021 0.000 1.016 231 I CB 2.122 40.132 38.000 0.017 0.000 1.227 231 I HN 0.223 nan 8.210 nan 0.000 0.456 232 Q N 1.017 120.833 119.800 0.027 0.000 2.418 232 Q HA 0.385 4.920 4.340 0.324 0.000 0.276 232 Q C -1.286 174.757 176.000 0.071 0.000 1.081 232 Q CA -0.849 54.981 55.803 0.045 0.000 0.864 232 Q CB 1.146 29.878 28.738 -0.009 0.000 1.384 232 Q HN 0.423 nan 8.270 nan 0.000 0.467 233 D N -0.338 120.104 120.400 0.070 0.000 2.335 233 D HA 0.219 5.054 4.640 0.324 0.000 0.236 233 D C 1.129 177.451 176.300 0.037 0.000 1.297 233 D CA 1.545 55.609 54.000 0.107 0.000 0.906 233 D CB 0.080 40.910 40.800 0.048 0.000 1.164 233 D HN 0.746 nan 8.370 nan 0.000 0.469 234 G N -0.369 108.465 108.800 0.056 0.000 2.216 234 G HA2 -0.346 3.809 3.960 0.324 0.000 0.269 234 G HA3 -0.346 3.809 3.960 0.324 0.000 0.269 234 G C 0.627 175.488 174.900 -0.065 0.000 0.981 234 G CA 0.591 45.692 45.100 0.002 0.000 0.658 234 G HN 0.580 nan 8.290 nan 0.000 0.539 235 I N 0.441 120.904 120.570 -0.177 0.000 2.872 235 I HA 0.249 4.614 4.170 0.324 0.000 0.291 235 I C 0.650 176.670 176.117 -0.161 0.000 1.216 235 I CA 0.445 61.607 61.300 -0.231 0.000 1.424 235 I CB 0.400 38.139 38.000 -0.436 0.000 1.351 235 I HN 0.377 nan 8.210 nan 0.000 0.592 236 Q N 4.539 124.289 119.800 -0.083 0.000 2.633 236 Q HA 0.215 4.750 4.340 0.324 0.000 0.292 236 Q C 0.164 176.170 176.000 0.011 0.000 1.089 236 Q CA -0.905 54.872 55.803 -0.044 0.000 0.811 236 Q CB 1.446 30.167 28.738 -0.029 0.000 1.472 236 Q HN 0.616 nan 8.270 nan 0.000 0.464 237 D N 1.019 121.427 120.400 0.014 0.000 2.120 237 D HA -0.238 4.596 4.640 0.324 0.000 0.191 237 D C 1.386 177.766 176.300 0.133 0.000 0.994 237 D CA 1.569 55.608 54.000 0.064 0.000 0.838 237 D CB 0.091 40.905 40.800 0.024 0.000 0.976 237 D HN 0.594 nan 8.370 nan 0.000 0.447 238 E N 0.797 121.044 120.200 0.078 0.000 2.048 238 E HA -0.287 4.257 4.350 0.324 0.000 0.202 238 E C 2.040 178.707 176.600 0.111 0.000 1.021 238 E CA 1.748 58.202 56.400 0.090 0.000 0.825 238 E CB -0.011 29.713 29.700 0.041 0.000 0.756 238 E HN -0.030 nan 8.360 nan 0.000 0.454 239 K N -0.165 120.271 120.400 0.060 0.000 2.044 239 K HA -0.242 4.273 4.320 0.324 0.000 0.210 239 K C 2.105 178.715 176.600 0.018 0.000 1.049 239 K CA 1.860 58.158 56.287 0.019 0.000 0.927 239 K CB -0.724 31.767 32.500 -0.016 0.000 0.713 239 K HN 0.252 nan 8.250 nan 0.000 0.443 240 Y N -0.341 119.921 120.300 -0.064 0.000 2.114 240 Y HA -0.294 4.451 4.550 0.326 0.000 0.284 240 Y C 2.184 178.059 175.900 -0.042 0.000 1.143 240 Y CA 2.248 60.298 58.100 -0.083 0.000 1.135 240 Y CB -0.653 37.760 38.460 -0.078 0.000 0.980 240 Y HN 0.269 nan 8.280 nan 0.000 0.499 241 Y N 0.769 121.127 120.300 0.096 0.000 2.128 241 Y HA -0.334 4.411 4.550 0.325 0.000 0.284 241 Y C 2.470 178.303 175.900 -0.112 0.000 1.154 241 Y CA 2.224 60.327 58.100 0.005 0.000 1.149 241 Y CB -0.479 38.007 38.460 0.043 0.000 0.976 241 Y HN 0.178 nan 8.280 nan 0.000 0.505 242 Q N 0.296 120.081 119.800 -0.025 0.000 2.181 242 Q HA -0.170 4.365 4.340 0.324 0.000 0.205 242 Q C 2.363 178.209 176.000 -0.256 0.000 0.980 242 Q CA 1.897 57.628 55.803 -0.120 0.000 0.862 242 Q CB -0.294 28.443 28.738 -0.001 0.000 0.905 242 Q HN 0.664 nan 8.270 nan 0.000 0.429 243 I N -0.791 119.609 120.570 -0.284 0.000 2.406 243 I HA -0.230 4.134 4.170 0.324 0.000 0.249 243 I C 2.614 178.496 176.117 -0.391 0.000 1.122 243 I CA 0.454 61.566 61.300 -0.312 0.000 1.431 243 I CB -0.289 37.508 38.000 -0.339 0.000 1.087 243 I HN 0.224 nan 8.210 nan 0.000 0.424 244 C N 1.018 120.005 119.300 -0.522 0.000 2.489 244 C HA -0.132 4.523 4.460 0.324 0.000 0.279 244 C C 2.916 177.559 174.990 -0.578 0.000 1.266 244 C CA 1.019 59.729 59.018 -0.513 0.000 1.707 244 C CB -0.761 26.672 27.740 -0.512 0.000 2.059 244 C HN 0.528 nan 8.230 nan 0.000 0.481 245 E N 0.526 120.198 120.200 -0.879 0.000 2.130 245 E HA -0.206 4.339 4.350 0.324 0.000 0.196 245 E C 2.184 178.397 176.600 -0.644 0.000 0.998 245 E CA 1.714 57.450 56.400 -1.107 0.000 0.806 245 E CB -0.439 28.506 29.700 -1.257 0.000 0.738 245 E HN 0.672 nan 8.360 nan 0.000 0.459 246 S N -0.237 115.218 115.700 -0.409 0.000 2.349 246 S HA -0.132 4.533 4.470 0.324 0.000 0.216 246 S C 2.198 176.709 174.600 -0.148 0.000 1.033 246 S CA 1.737 59.811 58.200 -0.210 0.000 1.021 246 S CB -0.498 62.600 63.200 -0.170 0.000 0.968 246 S HN 0.208 nan 8.310 nan 0.000 0.426 247 V N 2.498 122.313 119.914 -0.165 0.000 2.324 247 V HA -0.194 4.120 4.120 0.324 0.000 0.250 247 V C 2.492 178.575 176.094 -0.019 0.000 1.060 247 V CA 2.081 64.325 62.300 -0.093 0.000 1.042 247 V CB -0.841 30.911 31.823 -0.118 0.000 0.650 247 V HN 0.498 nan 8.190 nan 0.000 0.450 248 L N -0.376 120.822 121.223 -0.042 0.000 2.131 248 L HA -0.206 4.329 4.340 0.324 0.000 0.210 248 L C 2.532 179.616 176.870 0.356 0.000 1.092 248 L CA 1.662 56.614 54.840 0.187 0.000 0.759 248 L CB -0.580 41.556 42.059 0.130 0.000 0.903 248 L HN 0.335 nan 8.230 nan 0.000 0.435 249 K N 0.670 121.192 120.400 0.204 0.000 1.969 249 K HA -0.211 4.304 4.320 0.324 0.000 0.216 249 K C 1.998 178.738 176.600 0.232 0.000 1.048 249 K CA 1.633 58.106 56.287 0.310 0.000 0.948 249 K CB -0.183 32.419 32.500 0.170 0.000 0.726 249 K HN 0.121 nan 8.250 nan 0.000 0.442 250 E N 0.238 120.510 120.200 0.120 0.000 2.097 250 E HA -0.187 4.358 4.350 0.324 0.000 0.196 250 E C 2.148 178.798 176.600 0.084 0.000 1.000 250 E CA 1.664 58.109 56.400 0.075 0.000 0.804 250 E CB -0.482 29.237 29.700 0.031 0.000 0.740 250 E HN 0.237 nan 8.360 nan 0.000 0.454 251 V N 0.833 120.814 119.914 0.111 0.000 2.343 251 V HA -0.249 4.066 4.120 0.324 0.000 0.247 251 V C 2.213 178.389 176.094 0.136 0.000 1.051 251 V CA 1.686 64.055 62.300 0.116 0.000 1.036 251 V CB -0.689 31.207 31.823 0.123 0.000 0.654 251 V HN 0.189 nan 8.190 nan 0.000 0.451 252 Y N 1.354 121.629 120.300 -0.041 0.000 2.181 252 Y HA -0.199 4.546 4.550 0.325 0.000 0.288 252 Y C 2.672 178.479 175.900 -0.154 0.000 1.146 252 Y CA 1.334 59.273 58.100 -0.269 0.000 1.164 252 Y CB -0.444 37.790 38.460 -0.377 0.000 0.982 252 Y HN 0.311 nan 8.280 nan 0.000 0.515 253 Q N 0.329 120.085 119.800 -0.075 0.000 1.927 253 Q HA -0.263 4.271 4.340 0.324 0.000 0.210 253 Q C 2.566 178.500 176.000 -0.110 0.000 1.001 253 Q CA 1.855 57.584 55.803 -0.125 0.000 0.862 253 Q CB -1.480 27.244 28.738 -0.025 0.000 0.934 253 Q HN 0.507 nan 8.270 nan 0.000 0.420 254 A N 0.463 123.269 122.820 -0.023 0.000 1.865 254 A HA -0.185 4.329 4.320 0.324 0.000 0.217 254 A C 1.997 179.604 177.584 0.039 0.000 1.191 254 A CA 1.800 53.837 52.037 0.000 0.000 0.623 254 A CB -0.852 18.155 19.000 0.011 0.000 0.826 254 A HN 0.355 nan 8.150 nan 0.000 0.444 255 F N 0.052 119.955 119.950 -0.079 0.000 2.270 255 F HA 0.095 4.816 4.527 0.324 0.000 0.295 255 F C 0.867 176.625 175.800 -0.071 0.000 1.087 255 F CA 0.897 58.879 58.000 -0.031 0.000 1.365 255 F CB -0.170 38.836 39.000 0.009 0.000 1.056 255 F HN 0.508 nan 8.300 nan 0.000 0.506 256 N N 1.382 119.955 118.700 -0.213 0.000 2.573 256 N HA -0.137 4.797 4.740 0.324 0.000 0.280 256 N C -2.713 172.594 175.510 -0.338 0.000 1.187 256 N CA -0.044 52.777 53.050 -0.381 0.000 0.717 256 N CB -0.493 37.769 38.487 -0.374 0.000 0.899 256 N HN 0.071 nan 8.380 nan 0.000 0.546 257 P HA 0.082 nan 4.420 nan 0.000 0.272 257 P C 0.005 177.339 177.300 0.057 0.000 1.223 257 P CA -0.173 62.974 63.100 0.078 0.000 0.784 257 P CB 1.132 32.981 31.700 0.248 0.000 0.923 258 K N 0.769 121.238 120.400 0.115 0.000 2.276 258 K HA 0.372 4.886 4.320 0.324 0.000 0.198 258 K C 0.726 177.422 176.600 0.158 0.000 1.052 258 K CA 0.637 57.062 56.287 0.231 0.000 0.984 258 K CB 0.108 32.821 32.500 0.354 0.000 0.836 258 K HN 0.644 nan 8.250 nan 0.000 0.490 259 A N -0.676 122.108 122.820 -0.060 0.000 2.564 259 A HA 0.745 5.259 4.320 0.324 0.000 0.288 259 A C -1.528 176.004 177.584 -0.087 0.000 1.164 259 A CA -0.655 51.167 52.037 -0.358 0.000 0.712 259 A CB 1.709 20.116 19.000 -0.989 0.000 1.303 259 A HN -0.160 nan 8.150 nan 0.000 0.418 260 V N 0.199 120.061 119.914 -0.087 0.000 2.711 260 V HA 0.488 4.803 4.120 0.324 0.000 0.304 260 V C -1.007 175.086 176.094 -0.001 0.000 1.097 260 V CA -0.525 61.796 62.300 0.034 0.000 0.906 260 V CB 1.697 33.606 31.823 0.145 0.000 1.015 260 V HN 0.740 nan 8.190 nan 0.000 0.427 261 V N 5.765 125.712 119.914 0.054 0.000 2.357 261 V HA 0.505 4.819 4.120 0.324 0.000 0.284 261 V C -0.582 175.556 176.094 0.073 0.000 1.018 261 V CA -0.520 61.830 62.300 0.083 0.000 0.841 261 V CB 1.595 33.524 31.823 0.177 0.000 0.991 261 V HN 0.625 nan 8.190 nan 0.000 0.437 262 L N 5.018 126.238 121.223 -0.005 0.000 2.305 262 L HA 0.527 5.062 4.340 0.324 0.000 0.284 262 L C -0.229 176.615 176.870 -0.043 0.000 1.013 262 L CA 0.099 54.902 54.840 -0.060 0.000 0.819 262 L CB 1.548 43.578 42.059 -0.047 0.000 1.227 262 L HN 0.626 nan 8.230 nan 0.000 0.417 263 Q N 4.321 124.080 119.800 -0.067 0.000 2.278 263 Q HA 0.303 4.838 4.340 0.324 0.000 0.257 263 Q C -1.101 174.940 176.000 0.069 0.000 0.928 263 Q CA -0.461 55.352 55.803 0.016 0.000 0.932 263 Q CB 1.581 30.345 28.738 0.044 0.000 1.221 263 Q HN 0.632 nan 8.270 nan 0.000 0.434 264 L N 3.666 124.970 121.223 0.136 0.000 3.168 264 L HA 0.312 4.847 4.340 0.324 0.000 0.277 264 L C 0.612 177.743 176.870 0.435 0.000 1.308 264 L CA -0.199 54.802 54.840 0.269 0.000 0.976 264 L CB 0.463 42.720 42.059 0.329 0.000 1.383 264 L HN 0.686 nan 8.230 nan 0.000 0.572 265 G N 0.279 109.280 108.800 0.335 0.000 2.138 265 G HA2 0.145 4.300 3.960 0.324 0.000 0.244 265 G HA3 0.145 4.300 3.960 0.324 0.000 0.244 265 G C 0.838 175.923 174.900 0.309 0.000 1.166 265 G CA 0.434 45.761 45.100 0.378 0.000 0.902 265 G HN 0.543 nan 8.290 nan 0.000 0.460 266 A N 2.469 125.413 122.820 0.207 0.000 2.411 266 A HA 0.236 4.750 4.320 0.324 0.000 0.251 266 A C 1.221 178.752 177.584 -0.088 0.000 1.317 266 A CA 0.378 52.385 52.037 -0.050 0.000 0.904 266 A CB 0.073 18.787 19.000 -0.477 0.000 0.993 266 A HN 0.649 nan 8.150 nan 0.000 0.504 267 D N -0.264 120.139 120.400 0.006 0.000 2.881 267 D HA 0.004 4.839 4.640 0.324 0.000 0.240 267 D C 0.818 177.126 176.300 0.013 0.000 1.249 267 D CA 0.752 54.780 54.000 0.047 0.000 0.839 267 D CB -0.629 40.299 40.800 0.214 0.000 1.042 267 D HN 0.294 nan 8.370 nan 0.000 0.475 268 T N -3.919 110.628 114.554 -0.011 0.000 3.009 268 T HA 0.194 4.739 4.350 0.324 0.000 0.267 268 T C 0.773 175.493 174.700 0.035 0.000 0.942 268 T CA -0.371 61.727 62.100 -0.004 0.000 0.883 268 T CB 0.402 69.302 68.868 0.053 0.000 1.192 268 T HN -0.025 nan 8.240 nan 0.000 0.524 269 I N 3.067 123.625 120.570 -0.021 0.000 2.634 269 I HA 0.488 4.853 4.170 0.324 0.000 0.284 269 I C 1.240 177.336 176.117 -0.034 0.000 1.124 269 I CA -1.078 60.194 61.300 -0.046 0.000 1.417 269 I CB 0.038 37.979 38.000 -0.099 0.000 1.396 269 I HN 0.347 nan 8.210 nan 0.000 0.571 270 A N 4.515 127.315 122.820 -0.034 0.000 2.587 270 A HA 0.363 4.878 4.320 0.324 0.000 0.235 270 A C 1.307 178.865 177.584 -0.044 0.000 1.044 270 A CA 0.738 52.758 52.037 -0.027 0.000 0.754 270 A CB -0.444 18.534 19.000 -0.036 0.000 0.968 270 A HN 1.454 nan 8.150 nan 0.000 0.509 271 G N 1.754 110.535 108.800 -0.031 0.000 2.175 271 G HA2 -0.225 3.930 3.960 0.324 0.000 0.244 271 G HA3 -0.225 3.930 3.960 0.324 0.000 0.244 271 G C 0.011 174.888 174.900 -0.037 0.000 0.982 271 G CA 0.532 45.606 45.100 -0.044 0.000 0.641 271 G HN 1.138 nan 8.290 nan 0.000 0.527 272 D N 0.887 121.276 120.400 -0.018 0.000 2.399 272 D HA 0.424 5.258 4.640 0.324 0.000 0.241 272 D C 0.258 176.576 176.300 0.030 0.000 1.133 272 D CA -0.864 53.143 54.000 0.011 0.000 0.890 272 D CB 1.228 42.056 40.800 0.046 0.000 1.201 272 D HN 0.078 nan 8.370 nan 0.000 0.432 273 P HA -0.189 nan 4.420 nan 0.000 0.219 273 P C 1.351 178.672 177.300 0.035 0.000 1.146 273 P CA 0.835 63.947 63.100 0.020 0.000 0.808 273 P CB 0.115 31.816 31.700 0.003 0.000 0.779 274 M N -0.395 119.250 119.600 0.074 0.000 2.267 274 M HA -0.070 4.605 4.480 0.324 0.000 0.263 274 M C 0.922 177.278 176.300 0.092 0.000 1.063 274 M CA 0.778 56.139 55.300 0.102 0.000 1.090 274 M CB -1.394 31.305 32.600 0.165 0.000 1.392 274 M HN -0.049 nan 8.290 nan 0.000 0.422 275 C N 0.469 119.807 119.300 0.063 0.000 3.409 275 C HA -0.212 4.443 4.460 0.324 0.000 0.273 275 C C 1.723 176.751 174.990 0.062 0.000 1.375 275 C CA 0.555 59.605 59.018 0.052 0.000 2.175 275 C CB -2.192 25.571 27.740 0.040 0.000 1.410 275 C HN 0.772 nan 8.230 nan 0.000 0.550 276 S N -0.848 114.890 115.700 0.064 0.000 3.036 276 S HA 0.446 5.111 4.470 0.324 0.000 0.194 276 S C 0.695 175.426 174.600 0.219 0.000 0.797 276 S CA 0.044 58.282 58.200 0.064 0.000 0.822 276 S CB -0.042 63.112 63.200 -0.077 0.000 0.810 276 S HN 0.631 nan 8.310 nan 0.000 0.629 277 F N 1.867 121.798 119.950 -0.031 0.000 2.228 277 F HA 0.240 4.961 4.527 0.323 0.000 0.280 277 F C 1.394 177.169 175.800 -0.043 0.000 1.235 277 F CA -0.242 57.734 58.000 -0.040 0.000 1.235 277 F CB 0.270 39.234 39.000 -0.060 0.000 1.506 277 F HN 0.236 nan 8.300 nan 0.000 0.502 278 N N 0.428 119.209 118.700 0.134 0.000 2.545 278 N HA 0.085 5.020 4.740 0.324 0.000 0.283 278 N C -0.790 174.712 175.510 -0.013 0.000 1.596 278 N CA -0.013 53.059 53.050 0.036 0.000 0.862 278 N CB 0.278 38.769 38.487 0.007 0.000 1.422 278 N HN 0.304 nan 8.380 nan 0.000 0.489 279 M N 0.634 120.222 119.600 -0.021 0.000 2.157 279 M HA 0.216 4.891 4.480 0.324 0.000 0.304 279 M C 1.063 177.324 176.300 -0.066 0.000 1.171 279 M CA 0.278 55.528 55.300 -0.083 0.000 1.157 279 M CB 0.341 32.843 32.600 -0.163 0.000 1.403 279 M HN 0.242 nan 8.290 nan 0.000 0.473 280 T N -2.662 111.848 114.554 -0.074 0.000 2.903 280 T HA 0.480 5.025 4.350 0.324 0.000 0.299 280 T C -2.464 172.186 174.700 -0.083 0.000 1.093 280 T CA -1.699 60.346 62.100 -0.092 0.000 1.002 280 T CB 2.094 70.898 68.868 -0.108 0.000 1.127 280 T HN 0.269 nan 8.240 nan 0.000 0.488 281 P HA -0.135 nan 4.420 nan 0.000 0.217 281 P C 1.698 179.053 177.300 0.091 0.000 1.148 281 P CA 0.711 63.803 63.100 -0.013 0.000 0.834 281 P CB -0.088 31.553 31.700 -0.099 0.000 0.783 282 V N -0.190 119.651 119.914 -0.121 0.000 2.295 282 V HA -0.216 4.099 4.120 0.324 0.000 0.246 282 V C 2.626 178.785 176.094 0.109 0.000 1.049 282 V CA 2.548 64.866 62.300 0.030 0.000 1.024 282 V CB -1.931 29.839 31.823 -0.089 0.000 0.648 282 V HN 0.183 nan 8.190 nan 0.000 0.447 283 G N 0.318 109.151 108.800 0.054 0.000 2.446 283 G HA2 -0.227 3.928 3.960 0.324 0.000 0.217 283 G HA3 -0.227 3.928 3.960 0.324 0.000 0.217 283 G C 1.458 176.471 174.900 0.189 0.000 1.168 283 G CA 1.077 46.237 45.100 0.101 0.000 0.771 283 G HN 0.387 nan 8.290 nan 0.000 0.551 284 I N 1.906 122.566 120.570 0.149 0.000 2.252 284 I HA -0.057 4.307 4.170 0.324 0.000 0.245 284 I C 3.068 179.320 176.117 0.225 0.000 1.102 284 I CA 1.161 62.577 61.300 0.192 0.000 1.385 284 I CB -1.672 36.425 38.000 0.162 0.000 1.064 284 I HN 0.225 nan 8.210 nan 0.000 0.414 285 G N 1.191 110.139 108.800 0.247 0.000 2.469 285 G HA2 -0.276 3.879 3.960 0.324 0.000 0.219 285 G HA3 -0.276 3.879 3.960 0.324 0.000 0.219 285 G C 1.827 176.811 174.900 0.139 0.000 1.150 285 G CA 0.646 45.862 45.100 0.194 0.000 0.763 285 G HN 0.352 nan 8.290 nan 0.000 0.561 286 K N -0.481 120.006 120.400 0.146 0.000 2.057 286 K HA -0.079 4.436 4.320 0.324 0.000 0.207 286 K C 2.679 179.507 176.600 0.380 0.000 1.049 286 K CA 1.152 57.502 56.287 0.105 0.000 0.931 286 K CB -0.371 31.961 32.500 -0.280 0.000 0.714 286 K HN 0.356 nan 8.250 nan 0.000 0.440 287 C N 0.776 120.329 119.300 0.421 0.000 2.413 287 C HA -0.123 4.531 4.460 0.324 0.000 0.276 287 C C 2.558 177.626 174.990 0.130 0.000 1.236 287 C CA 0.309 59.480 59.018 0.255 0.000 1.735 287 C CB -0.802 27.063 27.740 0.207 0.000 2.031 287 C HN 0.469 nan 8.230 nan 0.000 0.474 288 L N 1.590 122.882 121.223 0.116 0.000 2.013 288 L HA -0.172 4.362 4.340 0.324 0.000 0.212 288 L C 2.388 179.250 176.870 -0.014 0.000 1.073 288 L CA 1.932 56.796 54.840 0.040 0.000 0.753 288 L CB -0.895 41.201 42.059 0.062 0.000 0.890 288 L HN 0.295 nan 8.230 nan 0.000 0.432 289 K N -1.540 118.873 120.400 0.023 0.000 1.987 289 K HA -0.298 4.217 4.320 0.324 0.000 0.216 289 K C 2.141 178.697 176.600 -0.072 0.000 1.051 289 K CA 2.291 58.567 56.287 -0.018 0.000 0.942 289 K CB -0.773 31.737 32.500 0.017 0.000 0.722 289 K HN 0.381 nan 8.250 nan 0.000 0.444 290 Y N 1.483 121.703 120.300 -0.133 0.000 2.096 290 Y HA -0.309 4.435 4.550 0.324 0.000 0.278 290 Y C 1.921 177.398 175.900 -0.705 0.000 1.192 290 Y CA 1.811 59.740 58.100 -0.285 0.000 1.143 290 Y CB -0.133 38.211 38.460 -0.194 0.000 0.963 290 Y HN 0.076 nan 8.280 nan 0.000 0.505 291 I N -0.638 119.625 120.570 -0.512 0.000 2.353 291 I HA -0.288 4.077 4.170 0.324 0.000 0.248 291 I C 2.062 177.829 176.117 -0.584 0.000 1.119 291 I CA 0.988 61.742 61.300 -0.911 0.000 1.417 291 I CB -0.302 37.411 38.000 -0.479 0.000 1.078 291 I HN 0.245 nan 8.210 nan 0.000 0.421 292 L N 0.726 121.754 121.223 -0.326 0.000 2.362 292 L HA -0.187 4.348 4.340 0.324 0.000 0.219 292 L C 2.666 179.426 176.870 -0.183 0.000 1.134 292 L CA 0.864 55.593 54.840 -0.186 0.000 0.807 292 L CB -0.444 41.544 42.059 -0.119 0.000 0.927 292 L HN 0.417 nan 8.230 nan 0.000 0.447 293 Q N -0.559 119.054 119.800 -0.313 0.000 2.230 293 Q HA -0.198 4.337 4.340 0.324 0.000 0.202 293 Q C 1.498 177.433 176.000 -0.108 0.000 0.963 293 Q CA 0.982 56.642 55.803 -0.238 0.000 0.866 293 Q CB -0.240 28.294 28.738 -0.340 0.000 0.931 293 Q HN 0.461 nan 8.270 nan 0.000 0.452 294 W N 1.529 122.682 121.300 -0.245 0.000 2.747 294 W HA 0.040 4.895 4.660 0.326 0.000 0.244 294 W C 0.457 176.937 176.519 -0.064 0.000 1.270 294 W CA 0.530 57.736 57.345 -0.233 0.000 1.333 294 W CB -0.639 28.586 29.460 -0.391 0.000 1.139 294 W HN 0.414 nan 8.180 nan 0.000 0.662 295 Q N -0.692 119.184 119.800 0.127 0.000 2.408 295 Q HA -0.237 4.297 4.340 0.324 0.000 0.290 295 Q C -0.071 176.000 176.000 0.119 0.000 1.221 295 Q CA 0.625 56.484 55.803 0.093 0.000 0.895 295 Q CB -1.811 26.974 28.738 0.079 0.000 1.241 295 Q HN 0.285 nan 8.270 nan 0.000 0.494 296 L N -0.735 120.576 121.223 0.147 0.000 2.400 296 L HA 0.592 5.127 4.340 0.324 0.000 0.264 296 L C 0.633 177.534 176.870 0.052 0.000 1.061 296 L CA -0.242 54.675 54.840 0.128 0.000 0.799 296 L CB 0.775 42.935 42.059 0.167 0.000 1.240 296 L HN 0.137 nan 8.230 nan 0.000 0.461 297 A N 0.615 123.432 122.820 -0.006 0.000 2.491 297 A HA 0.445 4.960 4.320 0.324 0.000 0.261 297 A C -0.241 177.264 177.584 -0.132 0.000 1.101 297 A CA 0.101 52.089 52.037 -0.081 0.000 0.772 297 A CB -0.492 18.406 19.000 -0.170 0.000 1.043 297 A HN 0.621 nan 8.150 nan 0.000 0.501 298 T N 3.652 118.155 114.554 -0.085 0.000 2.809 298 T HA 0.434 4.978 4.350 0.324 0.000 0.284 298 T C -0.682 173.952 174.700 -0.110 0.000 0.992 298 T CA -0.331 61.719 62.100 -0.084 0.000 0.957 298 T CB 1.056 69.893 68.868 -0.052 0.000 0.942 298 T HN 0.522 nan 8.240 nan 0.000 0.439 299 L N 5.480 126.635 121.223 -0.114 0.000 2.255 299 L HA 0.494 5.029 4.340 0.324 0.000 0.289 299 L C -0.763 176.012 176.870 -0.159 0.000 1.046 299 L CA -0.665 54.094 54.840 -0.134 0.000 0.816 299 L CB 0.034 42.028 42.059 -0.108 0.000 1.197 299 L HN 0.527 nan 8.230 nan 0.000 0.427 300 I N 6.880 127.295 120.570 -0.259 0.000 2.325 300 I HA 0.294 4.658 4.170 0.324 0.000 0.291 300 I C -0.062 175.780 176.117 -0.458 0.000 1.019 300 I CA -0.196 60.879 61.300 -0.376 0.000 1.302 300 I CB 0.833 38.482 38.000 -0.586 0.000 1.401 300 I HN 0.548 nan 8.210 nan 0.000 0.485 301 L N 4.831 125.869 121.223 -0.309 0.000 2.341 301 L HA 0.673 5.208 4.340 0.324 0.000 0.267 301 L C 0.965 177.718 176.870 -0.195 0.000 1.009 301 L CA -0.619 54.071 54.840 -0.250 0.000 0.819 301 L CB 2.042 44.047 42.059 -0.091 0.000 1.323 301 L HN 0.636 nan 8.230 nan 0.000 0.425 302 G N -0.202 108.460 108.800 -0.230 0.000 3.086 302 G HA2 0.697 4.852 3.960 0.324 0.000 0.159 302 G HA3 0.697 4.852 3.960 0.324 0.000 0.159 302 G C 0.015 174.967 174.900 0.087 0.000 1.654 302 G CA 0.287 45.161 45.100 -0.377 0.000 1.078 302 G HN 0.943 nan 8.290 nan 0.000 0.558 303 G N -2.377 106.648 108.800 0.376 0.000 2.404 303 G HA2 0.547 4.701 3.960 0.324 0.000 0.253 303 G HA3 0.547 4.701 3.960 0.324 0.000 0.253 303 G C 0.347 175.509 174.900 0.436 0.000 1.253 303 G CA 0.247 45.583 45.100 0.394 0.000 0.917 303 G HN 1.318 nan 8.290 nan 0.000 0.480 304 G N -1.155 107.799 108.800 0.257 0.000 2.846 304 G HA2 0.588 4.743 3.960 0.324 0.000 0.257 304 G HA3 0.588 4.743 3.960 0.324 0.000 0.257 304 G C 0.806 175.572 174.900 -0.223 0.000 1.253 304 G CA 1.170 46.270 45.100 -0.001 0.000 0.918 304 G HN 2.293 nan 8.290 nan 0.000 0.597 305 G N -1.961 106.383 108.800 -0.761 0.000 2.648 305 G HA2 0.190 4.344 3.960 0.324 0.000 0.317 305 G HA3 0.190 4.344 3.960 0.324 0.000 0.317 305 G C -0.648 173.812 174.900 -0.734 0.000 1.216 305 G CA -0.387 44.345 45.100 -0.613 0.000 1.210 305 G HN 0.831 nan 8.290 nan 0.000 0.583 306 Y N 1.154 121.397 120.300 -0.095 0.000 2.715 306 Y HA 0.413 5.157 4.550 0.324 0.000 0.255 306 Y C 0.885 176.714 175.900 -0.120 0.000 1.139 306 Y CA -0.939 57.105 58.100 -0.094 0.000 1.151 306 Y CB 1.107 39.529 38.460 -0.063 0.000 1.201 306 Y HN 0.487 nan 8.280 nan 0.000 0.556 307 N N 1.798 120.449 118.700 -0.081 0.000 2.804 307 N HA 0.182 5.117 4.740 0.324 0.000 0.251 307 N C 0.685 176.065 175.510 -0.217 0.000 1.250 307 N CA 0.040 53.014 53.050 -0.126 0.000 0.820 307 N CB 0.389 38.801 38.487 -0.125 0.000 1.156 307 N HN 0.362 nan 8.380 nan 0.000 0.512 308 L N 1.381 122.477 121.223 -0.211 0.000 2.030 308 L HA -0.317 4.218 4.340 0.324 0.000 0.222 308 L C 2.393 179.074 176.870 -0.316 0.000 1.082 308 L CA 2.304 56.988 54.840 -0.260 0.000 0.785 308 L CB -1.049 40.872 42.059 -0.230 0.000 0.895 308 L HN 0.445 nan 8.230 nan 0.000 0.439 309 A N 0.235 122.825 122.820 -0.384 0.000 1.865 309 A HA -0.247 4.267 4.320 0.324 0.000 0.217 309 A C 2.069 179.454 177.584 -0.332 0.000 1.191 309 A CA 2.285 53.986 52.037 -0.559 0.000 0.623 309 A CB -0.746 17.755 19.000 -0.832 0.000 0.826 309 A HN 0.464 nan 8.150 nan 0.000 0.444 310 N N -0.396 118.130 118.700 -0.291 0.000 2.104 310 N HA -0.114 4.821 4.740 0.324 0.000 0.190 310 N C 1.776 177.102 175.510 -0.307 0.000 1.024 310 N CA 1.976 54.886 53.050 -0.235 0.000 0.853 310 N CB -0.770 37.591 38.487 -0.209 0.000 1.008 310 N HN 0.547 nan 8.380 nan 0.000 0.424 311 T N 0.519 114.820 114.554 -0.422 0.000 2.674 311 T HA -0.072 4.472 4.350 0.324 0.000 0.265 311 T C 1.925 176.215 174.700 -0.683 0.000 1.039 311 T CA 1.486 63.148 62.100 -0.730 0.000 1.150 311 T CB -0.537 67.812 68.868 -0.865 0.000 0.864 311 T HN 0.344 nan 8.240 nan 0.000 0.427 312 A N 1.907 124.493 122.820 -0.390 0.000 1.948 312 A HA -0.201 4.314 4.320 0.324 0.000 0.220 312 A C 2.381 179.901 177.584 -0.108 0.000 1.177 312 A CA 1.638 53.569 52.037 -0.177 0.000 0.636 312 A CB -0.546 18.462 19.000 0.015 0.000 0.815 312 A HN 0.422 nan 8.150 nan 0.000 0.449 313 R N -1.224 119.234 120.500 -0.069 0.000 2.070 313 R HA -0.156 4.378 4.340 0.324 0.000 0.233 313 R C 2.462 178.712 176.300 -0.082 0.000 1.137 313 R CA 1.469 57.554 56.100 -0.024 0.000 0.945 313 R CB -1.101 29.192 30.300 -0.012 0.000 0.845 313 R HN 0.691 nan 8.270 nan 0.000 0.430 314 C N 0.322 119.510 119.300 -0.187 0.000 2.418 314 C HA -0.143 4.511 4.460 0.324 0.000 0.280 314 C C 2.420 177.404 174.990 -0.010 0.000 1.223 314 C CA 0.650 59.591 59.018 -0.129 0.000 1.736 314 C CB -1.120 26.441 27.740 -0.299 0.000 2.056 314 C HN 0.616 nan 8.230 nan 0.000 0.459 315 W N 0.789 121.870 121.300 -0.365 0.000 2.374 315 W HA 0.026 4.882 4.660 0.327 0.000 0.288 315 W C 2.635 178.870 176.519 -0.473 0.000 1.218 315 W CA 1.486 58.369 57.345 -0.769 0.000 1.245 315 W CB -1.870 26.705 29.460 -1.475 0.000 1.126 315 W HN 0.378 nan 8.180 nan 0.000 0.545 316 T N -0.226 114.279 114.554 -0.082 0.000 2.737 316 T HA -0.250 4.295 4.350 0.324 0.000 0.265 316 T C 1.522 176.178 174.700 -0.073 0.000 1.038 316 T CA 1.616 63.671 62.100 -0.076 0.000 1.144 316 T CB -0.797 67.991 68.868 -0.133 0.000 0.866 316 T HN 0.135 nan 8.240 nan 0.000 0.434 317 Y N 1.858 122.059 120.300 -0.165 0.000 2.165 317 Y HA -0.078 4.666 4.550 0.324 0.000 0.286 317 Y C 1.906 177.789 175.900 -0.028 0.000 1.155 317 Y CA 1.101 59.120 58.100 -0.135 0.000 1.164 317 Y CB -0.599 37.798 38.460 -0.105 0.000 0.978 317 Y HN 0.138 nan 8.280 nan 0.000 0.513 318 L N -0.834 120.345 121.223 -0.073 0.000 2.201 318 L HA -0.183 4.351 4.340 0.324 0.000 0.212 318 L C 2.237 179.144 176.870 0.061 0.000 1.105 318 L CA 1.607 56.414 54.840 -0.055 0.000 0.775 318 L CB -0.724 41.476 42.059 0.234 0.000 0.913 318 L HN 0.220 nan 8.230 nan 0.000 0.440 319 T N -0.493 114.161 114.554 0.168 0.000 2.821 319 T HA -0.090 4.454 4.350 0.324 0.000 0.267 319 T C 1.858 176.573 174.700 0.025 0.000 1.046 319 T CA 1.176 63.412 62.100 0.226 0.000 1.139 319 T CB -0.365 68.686 68.868 0.305 0.000 0.871 319 T HN 0.542 nan 8.240 nan 0.000 0.454 320 G N 1.726 110.470 108.800 -0.093 0.000 2.421 320 G HA2 -0.198 3.957 3.960 0.324 0.000 0.216 320 G HA3 -0.198 3.957 3.960 0.324 0.000 0.216 320 G C 1.819 176.618 174.900 -0.169 0.000 1.171 320 G CA 1.229 46.243 45.100 -0.144 0.000 0.775 320 G HN 0.544 nan 8.290 nan 0.000 0.543 321 V N -0.646 119.092 119.914 -0.293 0.000 2.759 321 V HA 0.032 4.346 4.120 0.324 0.000 0.256 321 V C 2.467 178.492 176.094 -0.115 0.000 1.080 321 V CA 1.353 63.513 62.300 -0.233 0.000 1.101 321 V CB -0.359 31.270 31.823 -0.322 0.000 0.698 321 V HN 0.414 nan 8.190 nan 0.000 0.477 322 I N -0.138 120.387 120.570 -0.075 0.000 2.353 322 I HA -0.068 4.297 4.170 0.324 0.000 0.248 322 I C 2.174 178.273 176.117 -0.030 0.000 1.119 322 I CA 1.421 62.699 61.300 -0.037 0.000 1.417 322 I CB -0.067 37.932 38.000 -0.002 0.000 1.078 322 I HN 0.289 nan 8.210 nan 0.000 0.421 323 L N 0.422 121.629 121.223 -0.027 0.000 2.591 323 L HA 0.178 4.713 4.340 0.324 0.000 0.228 323 L C 1.723 178.579 176.870 -0.024 0.000 1.133 323 L CA 0.545 55.375 54.840 -0.017 0.000 0.880 323 L CB -0.437 41.619 42.059 -0.006 0.000 1.033 323 L HN 0.485 nan 8.230 nan 0.000 0.450 324 G N -0.299 108.477 108.800 -0.040 0.000 2.302 324 G HA2 -0.286 3.869 3.960 0.324 0.000 0.263 324 G HA3 -0.286 3.869 3.960 0.324 0.000 0.263 324 G C 0.578 175.461 174.900 -0.029 0.000 0.995 324 G CA 0.258 45.337 45.100 -0.035 0.000 0.622 324 G HN 0.231 nan 8.290 nan 0.000 0.538 325 K N 1.204 121.588 120.400 -0.026 0.000 2.180 325 K HA 0.506 5.021 4.320 0.324 0.000 0.251 325 K C 0.696 177.287 176.600 -0.015 0.000 1.014 325 K CA 0.688 56.969 56.287 -0.010 0.000 0.913 325 K CB 0.461 32.963 32.500 0.002 0.000 1.008 325 K HN 0.653 nan 8.250 nan 0.000 0.490 326 T N -1.122 113.441 114.554 0.015 0.000 2.815 326 T HA 0.516 5.060 4.350 0.324 0.000 0.289 326 T C 0.230 174.966 174.700 0.061 0.000 1.000 326 T CA -0.912 61.211 62.100 0.038 0.000 0.958 326 T CB 0.215 69.112 68.868 0.048 0.000 0.944 326 T HN 0.283 nan 8.240 nan 0.000 0.442 327 L N 2.735 123.994 121.223 0.060 0.000 2.436 327 L HA 0.425 4.959 4.340 0.324 0.000 0.265 327 L C 1.188 178.168 176.870 0.182 0.000 1.168 327 L CA -0.847 54.048 54.840 0.092 0.000 0.815 327 L CB 0.910 42.859 42.059 -0.183 0.000 1.109 327 L HN 0.764 nan 8.230 nan 0.000 0.462 328 S N 0.608 116.505 115.700 0.328 0.000 2.516 328 S HA -0.044 4.621 4.470 0.324 0.000 0.282 328 S C 1.331 176.073 174.600 0.237 0.000 1.286 328 S CA -0.066 58.274 58.200 0.233 0.000 1.066 328 S CB 0.825 64.123 63.200 0.164 0.000 0.884 328 S HN 0.707 nan 8.310 nan 0.000 0.491 329 S N 3.421 119.204 115.700 0.138 0.000 2.420 329 S HA -0.096 4.568 4.470 0.324 0.000 0.237 329 S C 0.555 175.231 174.600 0.128 0.000 1.023 329 S CA 1.047 59.312 58.200 0.109 0.000 0.991 329 S CB -0.385 62.854 63.200 0.066 0.000 0.792 329 S HN 0.827 nan 8.310 nan 0.000 0.488 330 E N 1.447 121.719 120.200 0.121 0.000 2.331 330 E HA 0.190 4.735 4.350 0.324 0.000 0.272 330 E C -0.254 176.415 176.600 0.114 0.000 1.036 330 E CA -0.491 55.977 56.400 0.114 0.000 0.864 330 E CB 0.519 30.262 29.700 0.073 0.000 1.035 330 E HN 0.239 nan 8.360 nan 0.000 0.408 331 I N 4.513 125.174 120.570 0.152 0.000 2.294 331 I HA 0.141 4.506 4.170 0.324 0.000 0.295 331 I C -2.000 174.191 176.117 0.122 0.000 1.098 331 I CA -2.274 59.089 61.300 0.104 0.000 1.277 331 I CB -0.438 37.597 38.000 0.059 0.000 1.434 331 I HN 0.057 nan 8.210 nan 0.000 0.498 332 P HA -0.094 nan 4.420 nan 0.000 0.267 332 P C -0.274 177.077 177.300 0.084 0.000 1.195 332 P CA 0.116 63.127 63.100 -0.147 0.000 0.773 332 P CB 0.516 31.977 31.700 -0.398 0.000 0.837 333 D N 1.752 122.099 120.400 -0.089 0.000 2.308 333 D HA 0.164 4.999 4.640 0.324 0.000 0.251 333 D C 0.047 176.385 176.300 0.064 0.000 1.127 333 D CA 0.237 54.128 54.000 -0.181 0.000 0.876 333 D CB 0.298 40.820 40.800 -0.463 0.000 1.176 333 D HN 0.433 nan 8.370 nan 0.000 0.446 334 H N 1.101 120.164 119.070 -0.012 0.000 3.110 334 H HA 0.267 5.021 4.556 0.330 0.000 0.277 334 H C 0.362 175.668 175.328 -0.037 0.000 1.571 334 H CA -0.689 55.340 56.048 -0.032 0.000 1.206 334 H CB 0.339 30.092 29.762 -0.014 0.000 1.852 334 H HN 0.457 nan 8.280 nan 0.000 0.629 335 E N -0.107 119.969 120.200 -0.208 0.000 2.204 335 E HA -0.084 4.460 4.350 0.324 0.000 0.195 335 E C 0.006 176.139 176.600 -0.778 0.000 0.990 335 E CA 1.180 57.264 56.400 -0.527 0.000 0.821 335 E CB 0.024 29.305 29.700 -0.699 0.000 0.750 335 E HN 0.370 nan 8.360 nan 0.000 0.477 336 F N -0.928 118.796 119.950 -0.377 0.000 2.668 336 F HA 0.177 4.896 4.527 0.319 0.000 0.301 336 F C 1.013 176.736 175.800 -0.127 0.000 1.106 336 F CA -0.632 57.278 58.000 -0.150 0.000 1.289 336 F CB -0.222 38.882 39.000 0.173 0.000 1.006 336 F HN -0.004 nan 8.300 nan 0.000 0.535 337 F N 1.899 121.559 119.950 -0.483 0.000 2.147 337 F HA -0.338 3.945 4.527 -0.407 0.000 0.301 337 F C 2.522 178.507 175.800 0.310 0.000 1.084 337 F CA 2.313 60.278 58.000 -0.059 0.000 1.268 337 F CB -0.475 38.469 39.000 -0.093 0.000 1.009 337 F HN 0.097 nan 8.300 nan 0.000 0.486 338 T N -1.466 113.207 114.554 0.198 0.000 2.897 338 T HA -0.115 4.429 4.350 0.324 0.000 0.271 338 T C 1.845 176.558 174.700 0.021 0.000 1.084 338 T CA 0.868 63.055 62.100 0.144 0.000 1.123 338 T CB -0.927 68.031 68.868 0.150 0.000 0.865 338 T HN 0.356 nan 8.240 nan 0.000 0.496 339 A N -0.086 122.751 122.820 0.029 0.000 2.238 339 A HA 0.309 4.824 4.320 0.324 0.000 0.208 339 A C 1.036 178.322 177.584 -0.497 0.000 1.177 339 A CA -0.119 51.797 52.037 -0.202 0.000 0.804 339 A CB -0.641 18.225 19.000 -0.223 0.000 0.823 339 A HN 0.603 nan 8.150 nan 0.000 0.482 340 Y N 0.098 120.149 120.300 -0.416 0.000 2.532 340 Y HA 0.328 5.061 4.550 0.306 0.000 0.283 340 Y C 1.655 176.944 175.900 -1.019 0.000 1.181 340 Y CA -0.665 57.107 58.100 -0.547 0.000 1.256 340 Y CB -0.395 37.838 38.460 -0.379 0.000 1.112 340 Y HN 0.259 nan 8.280 nan 0.000 0.521 341 G N 1.594 109.800 108.800 -0.991 0.000 2.636 341 G HA2 0.151 4.306 3.960 0.324 0.000 0.246 341 G HA3 0.151 4.306 3.960 0.324 0.000 0.246 341 G C -1.133 173.485 174.900 -0.470 0.000 1.216 341 G CA -0.759 43.745 45.100 -0.993 0.000 0.854 341 G HN 0.130 nan 8.290 nan 0.000 0.572 342 P HA 0.099 nan 4.420 nan 0.000 0.239 342 P C 0.342 177.668 177.300 0.043 0.000 1.188 342 P CA 0.521 63.563 63.100 -0.098 0.000 0.794 342 P CB 0.788 32.478 31.700 -0.017 0.000 0.937 343 D N -0.798 119.572 120.400 -0.050 0.000 2.240 343 D HA -0.026 4.809 4.640 0.324 0.000 0.206 343 D C 0.144 176.606 176.300 0.271 0.000 0.963 343 D CA 0.479 54.549 54.000 0.116 0.000 0.863 343 D CB -0.268 40.555 40.800 0.039 0.000 0.973 343 D HN 0.123 nan 8.370 nan 0.000 0.501 344 Y N -0.587 119.713 120.300 -0.001 0.000 3.790 344 Y HA -0.246 4.743 4.550 0.730 0.000 0.226 344 Y C 0.173 176.105 175.900 0.052 0.000 1.257 344 Y CA -0.229 57.868 58.100 -0.005 0.000 1.765 344 Y CB -2.199 36.234 38.460 -0.046 0.000 1.552 344 Y HN -0.099 nan 8.280 nan 0.000 0.650 345 V N -3.147 116.846 119.914 0.133 0.000 3.166 345 V HA 0.646 4.961 4.120 0.324 0.000 0.317 345 V C 0.605 176.757 176.094 0.096 0.000 1.136 345 V CA -0.771 61.598 62.300 0.114 0.000 1.035 345 V CB 1.848 33.717 31.823 0.077 0.000 1.110 345 V HN 0.024 nan 8.190 nan 0.000 0.450 346 L N -0.057 121.216 121.223 0.083 0.000 2.375 346 L HA 0.432 4.967 4.340 0.324 0.000 0.215 346 L C 0.995 177.842 176.870 -0.038 0.000 1.108 346 L CA 1.106 55.976 54.840 0.051 0.000 0.830 346 L CB -0.628 41.471 42.059 0.066 0.000 0.959 346 L HN 0.877 nan 8.230 nan 0.000 0.457 347 E N 0.273 120.443 120.200 -0.049 0.000 2.354 347 E HA 0.334 4.879 4.350 0.324 0.000 0.269 347 E C -0.593 175.955 176.600 -0.086 0.000 1.036 347 E CA 0.339 56.678 56.400 -0.102 0.000 0.876 347 E CB 0.967 30.619 29.700 -0.079 0.000 1.009 347 E HN 0.168 nan 8.360 nan 0.000 0.416 348 I N 2.152 122.654 120.570 -0.114 0.000 2.406 348 I HA 0.193 4.557 4.170 0.324 0.000 0.290 348 I C -0.371 175.696 176.117 -0.082 0.000 0.999 348 I CA -0.666 60.577 61.300 -0.095 0.000 1.124 348 I CB 1.876 39.811 38.000 -0.109 0.000 1.289 348 I HN 0.363 nan 8.210 nan 0.000 0.441 349 T N 7.133 121.649 114.554 -0.064 0.000 2.817 349 T HA 0.295 4.840 4.350 0.324 0.000 0.293 349 T C -2.202 172.470 174.700 -0.046 0.000 0.964 349 T CA -0.988 61.082 62.100 -0.051 0.000 1.085 349 T CB 0.932 69.776 68.868 -0.039 0.000 0.921 349 T HN 0.292 nan 8.240 nan 0.000 0.502 350 P HA 0.192 nan 4.420 nan 0.000 0.270 350 P C -0.504 176.781 177.300 -0.025 0.000 1.227 350 P CA -0.320 62.761 63.100 -0.033 0.000 0.788 350 P CB 0.462 32.144 31.700 -0.030 0.000 0.926 351 S N -0.110 115.579 115.700 -0.018 0.000 2.578 351 S HA 0.166 4.831 4.470 0.324 0.000 0.283 351 S C -0.125 174.469 174.600 -0.010 0.000 1.195 351 S CA -0.491 57.701 58.200 -0.014 0.000 1.050 351 S CB 0.362 63.557 63.200 -0.008 0.000 1.012 351 S HN 0.388 nan 8.310 nan 0.000 0.511 352 C N 4.319 123.613 119.300 -0.010 0.000 3.031 352 C HA 0.299 4.953 4.460 0.324 0.000 0.489 352 C C 0.876 175.863 174.990 -0.004 0.000 1.020 352 C CA -0.480 58.534 59.018 -0.007 0.000 1.104 352 C CB -2.431 25.305 27.740 -0.007 0.000 1.470 352 C HN 0.743 nan 8.230 nan 0.000 0.583 353 R N 1.012 121.510 120.500 -0.003 0.000 2.604 353 R HA 0.559 5.094 4.340 0.324 0.000 0.270 353 R C -3.097 173.202 176.300 -0.002 0.000 1.052 353 R CA -1.288 54.812 56.100 -0.000 0.000 0.902 353 R CB 0.309 30.612 30.300 0.004 0.000 1.233 353 R HN 0.086 nan 8.270 nan 0.000 0.455 354 P HA -0.120 nan 4.420 nan 0.000 0.263 354 P C -0.933 176.362 177.300 -0.009 0.000 1.168 354 P CA 0.305 63.402 63.100 -0.004 0.000 0.759 354 P CB 0.508 32.207 31.700 -0.001 0.000 0.782 355 D N 3.379 123.768 120.400 -0.018 0.000 2.456 355 D HA 0.050 4.885 4.640 0.324 0.000 0.219 355 D C 0.703 176.981 176.300 -0.036 0.000 1.126 355 D CA -0.510 53.470 54.000 -0.032 0.000 0.890 355 D CB 0.311 41.085 40.800 -0.043 0.000 1.025 355 D HN 0.082 nan 8.370 nan 0.000 0.511 356 R N 2.832 123.313 120.500 -0.031 0.000 2.391 356 R HA 0.087 4.622 4.340 0.324 0.000 0.225 356 R C -0.228 176.044 176.300 -0.047 0.000 1.079 356 R CA -0.095 55.990 56.100 -0.026 0.000 1.147 356 R CB -0.542 29.751 30.300 -0.012 0.000 1.103 356 R HN 0.347 nan 8.270 nan 0.000 0.499 357 N N 1.987 120.645 118.700 -0.069 0.000 2.426 357 N HA 0.074 5.009 4.740 0.324 0.000 0.257 357 N C -0.603 174.837 175.510 -0.116 0.000 1.002 357 N CA -0.131 52.858 53.050 -0.102 0.000 0.942 357 N CB 1.332 39.747 38.487 -0.120 0.000 1.112 357 N HN 0.021 nan 8.380 nan 0.000 0.499 358 E N 2.914 123.006 120.200 -0.179 0.000 2.223 358 E HA 0.103 4.647 4.350 0.324 0.000 0.282 358 E C -1.197 175.225 176.600 -0.297 0.000 1.046 358 E CA -1.456 54.799 56.400 -0.240 0.000 0.857 358 E CB 0.948 30.381 29.700 -0.445 0.000 1.055 358 E HN 0.369 nan 8.360 nan 0.000 0.409 359 P HA -0.290 nan 4.420 nan 0.000 0.217 359 P C 0.899 178.165 177.300 -0.057 0.000 1.148 359 P CA 1.626 64.686 63.100 -0.068 0.000 0.834 359 P CB 0.028 31.729 31.700 0.003 0.000 0.783 360 H N -0.348 118.709 119.070 -0.021 0.000 2.395 360 H HA 0.030 4.781 4.556 0.325 0.000 0.299 360 H C 2.087 177.402 175.328 -0.021 0.000 1.070 360 H CA 0.964 57.002 56.048 -0.017 0.000 1.356 360 H CB -0.718 29.037 29.762 -0.011 0.000 1.401 360 H HN 0.002 nan 8.280 nan 0.000 0.524 361 R N 1.440 121.667 120.500 -0.454 0.000 2.092 361 R HA -0.024 4.510 4.340 0.324 0.000 0.231 361 R C 2.389 178.598 176.300 -0.151 0.000 1.119 361 R CA 0.904 56.856 56.100 -0.247 0.000 0.970 361 R CB -0.657 29.448 30.300 -0.325 0.000 0.864 361 R HN 0.306 nan 8.270 nan 0.000 0.440 362 I N 0.762 121.234 120.570 -0.165 0.000 2.264 362 I HA -0.233 4.132 4.170 0.324 0.000 0.248 362 I C 2.058 178.122 176.117 -0.089 0.000 1.111 362 I CA 1.389 62.611 61.300 -0.129 0.000 1.382 362 I CB -1.061 36.863 38.000 -0.126 0.000 1.060 362 I HN 0.285 nan 8.210 nan 0.000 0.418 363 Q N 1.058 120.825 119.800 -0.056 0.000 2.049 363 Q HA -0.162 4.373 4.340 0.324 0.000 0.198 363 Q C 2.227 178.225 176.000 -0.003 0.000 0.971 363 Q CA 1.492 57.281 55.803 -0.023 0.000 0.833 363 Q CB -0.206 28.534 28.738 0.003 0.000 0.896 363 Q HN 0.457 nan 8.270 nan 0.000 0.434 364 Q N -0.369 119.438 119.800 0.012 0.000 2.173 364 Q HA -0.200 4.335 4.340 0.324 0.000 0.208 364 Q C 1.970 177.998 176.000 0.047 0.000 0.989 364 Q CA 1.684 57.512 55.803 0.042 0.000 0.872 364 Q CB -0.227 28.540 28.738 0.048 0.000 0.909 364 Q HN 0.469 nan 8.270 nan 0.000 0.420 365 I N 0.043 120.602 120.570 -0.017 0.000 2.162 365 I HA -0.265 4.100 4.170 0.324 0.000 0.238 365 I C 2.143 178.250 176.117 -0.017 0.000 1.076 365 I CA 0.850 62.119 61.300 -0.051 0.000 1.353 365 I CB -0.350 37.573 38.000 -0.128 0.000 1.063 365 I HN 0.157 nan 8.210 nan 0.000 0.408 366 L N 0.854 122.051 121.223 -0.044 0.000 2.137 366 L HA -0.283 4.251 4.340 0.324 0.000 0.213 366 L C 2.185 179.053 176.870 -0.004 0.000 1.085 366 L CA 1.529 56.344 54.840 -0.041 0.000 0.760 366 L CB -0.844 41.181 42.059 -0.056 0.000 0.893 366 L HN 0.347 nan 8.230 nan 0.000 0.434 367 N N -1.004 117.708 118.700 0.020 0.000 2.047 367 N HA -0.219 4.715 4.740 0.324 0.000 0.193 367 N C 1.692 177.237 175.510 0.058 0.000 1.055 367 N CA 1.149 54.216 53.050 0.028 0.000 0.847 367 N CB -0.621 37.885 38.487 0.030 0.000 1.038 367 N HN 0.162 nan 8.380 nan 0.000 0.427 368 Y N 1.263 121.535 120.300 -0.047 0.000 2.173 368 Y HA -0.217 4.527 4.550 0.325 0.000 0.282 368 Y C 1.858 177.723 175.900 -0.058 0.000 1.192 368 Y CA 1.491 59.562 58.100 -0.049 0.000 1.176 368 Y CB -0.336 38.091 38.460 -0.055 0.000 0.969 368 Y HN 0.122 nan 8.280 nan 0.000 0.519 369 I N -0.645 120.030 120.570 0.175 0.000 2.277 369 I HA -0.219 4.145 4.170 0.324 0.000 0.243 369 I C 2.528 178.656 176.117 0.017 0.000 1.094 369 I CA 1.062 62.411 61.300 0.081 0.000 1.393 369 I CB -0.525 37.483 38.000 0.013 0.000 1.078 369 I HN -0.031 nan 8.210 nan 0.000 0.417 370 K N 1.760 122.163 120.400 0.004 0.000 2.113 370 K HA -0.184 4.331 4.320 0.324 0.000 0.208 370 K C 1.814 178.394 176.600 -0.033 0.000 1.047 370 K CA 1.984 58.263 56.287 -0.013 0.000 0.928 370 K CB -0.504 31.990 32.500 -0.010 0.000 0.716 370 K HN 0.420 nan 8.250 nan 0.000 0.446 371 G N -0.307 108.463 108.800 -0.050 0.000 2.777 371 G HA2 -0.076 4.079 3.960 0.324 0.000 0.211 371 G HA3 -0.076 4.079 3.960 0.324 0.000 0.211 371 G C 1.209 175.991 174.900 -0.197 0.000 1.149 371 G CA 0.007 45.051 45.100 -0.092 0.000 0.785 371 G HN 0.416 nan 8.290 nan 0.000 0.536 372 N N -0.458 118.135 118.700 -0.178 0.000 2.368 372 N HA 0.033 4.967 4.740 0.324 0.000 0.176 372 N C 1.644 176.971 175.510 -0.305 0.000 1.021 372 N CA -0.054 52.823 53.050 -0.288 0.000 0.888 372 N CB 0.097 38.631 38.487 0.078 0.000 0.995 372 N HN 0.070 nan 8.380 nan 0.000 0.437 373 L N 1.344 122.486 121.223 -0.136 0.000 2.291 373 L HA -0.039 4.496 4.340 0.324 0.000 0.214 373 L C 2.066 178.878 176.870 -0.097 0.000 1.120 373 L CA 1.204 55.980 54.840 -0.106 0.000 0.799 373 L CB -0.397 41.632 42.059 -0.050 0.000 0.925 373 L HN -0.013 nan 8.230 nan 0.000 0.446 374 K N -0.499 119.854 120.400 -0.079 0.000 2.127 374 K HA -0.196 4.318 4.320 0.324 0.000 0.208 374 K C 1.939 178.571 176.600 0.053 0.000 1.047 374 K CA 1.551 57.843 56.287 0.009 0.000 0.927 374 K CB -0.196 32.343 32.500 0.065 0.000 0.716 374 K HN 0.539 nan 8.250 nan 0.000 0.450 375 H N -1.330 117.561 119.070 -0.297 0.000 2.555 375 H HA 0.061 4.812 4.556 0.325 0.000 0.269 375 H C -0.256 174.956 175.328 -0.194 0.000 0.988 375 H CA -0.351 55.495 56.048 -0.337 0.000 1.178 375 H CB 0.347 29.653 29.762 -0.760 0.000 1.373 375 H HN -0.096 nan 8.280 nan 0.000 0.588 376 V N 4.293 124.173 119.914 -0.057 0.000 2.415 376 V HA -0.045 4.270 4.120 0.324 0.000 0.267 376 V C 1.158 177.280 176.094 0.047 0.000 1.042 376 V CA -0.317 61.950 62.300 -0.055 0.000 1.000 376 V CB 0.422 32.157 31.823 -0.146 0.000 1.015 376 V HN 0.157 nan 8.190 nan 0.000 0.478 377 V N 0.000 119.991 119.914 0.129 0.000 2.409 377 V HA 0.000 4.315 4.120 0.324 0.000 0.244 377 V CA 0.000 62.355 62.300 0.091 0.000 1.235 377 V CB 0.000 31.896 31.823 0.121 0.000 1.184 377 V HN 0.000 nan 8.190 nan 0.000 0.556