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 3eqq_1_A DATA FIRST_RESID 15 DATA SEQUENCE WNTSEIEALF DEHAGRIDPR IYTDEDLYQL ELERVFARSW LLLGHETQIR DATA SEQUENCE KPGDYITTYM GEDPVVVVRQ KDASIAVFLN QCRHRGMRIC RADAGNAKAF DATA SEQUENCE TCSYHGWAYD TAGNLVNVPY EAESFACLNK KEWSPLKARV ETYKGLIFAN DATA SEQUENCE WDENAVDLDT YLGEAKFYMD HMLDRTEAGT EAIPGVQKWV IPCNWKFAAE DATA SEQUENCE QFCSDMXXXX XTSHLSGILA GLPEXXXXXX XXXPTVGKQY RASWGGHGSG DATA SEQUENCE FYVGDPNLML AIMGPKVTSY WTEGPASEKA AERLGSVERG SKLMVEHMTV DATA SEQUENCE FPTCSFLPGI NTVRTWHPRG PNEVEVWAFT VVDADAPDDI KEEFRRQTLR DATA SEQUENCE TFSAGGVFEQ DDGENWVEIQ HILRGHKARS RPFNAEMSMD QTVDNDPVYP DATA SEQUENCE GRISNNVYSE EAARGLYAHW LRMMTSPDWD 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 15 W HA 0.000 nan 4.660 nan 0.000 0.303 15 W C 0.000 176.517 176.519 -0.003 0.000 1.175 15 W CA 0.000 57.349 57.345 0.006 0.000 1.226 15 W CB 0.000 29.465 29.460 0.008 0.000 1.126 16 N N -0.979 117.904 118.700 0.305 0.000 8.043 16 N HA -0.052 4.688 4.740 -0.000 0.000 0.071 16 N C -0.108 175.478 175.510 0.125 0.000 0.831 16 N CA 0.796 53.938 53.050 0.152 0.000 1.320 16 N CB -0.228 38.314 38.487 0.092 0.000 1.148 16 N HN 0.395 nan 8.380 nan 0.000 1.408 17 T N 1.391 115.981 114.554 0.061 0.000 2.731 17 T HA -0.332 4.018 4.350 -0.000 0.000 0.259 17 T C 1.564 176.284 174.700 0.033 0.000 1.054 17 T CA 3.261 65.374 62.100 0.021 0.000 1.158 17 T CB -0.402 68.468 68.868 0.003 0.000 0.847 17 T HN 0.601 nan 8.240 nan 0.000 0.470 18 S N 0.320 116.050 115.700 0.051 0.000 2.362 18 S HA -0.069 4.401 4.470 -0.000 0.000 0.221 18 S C 1.982 176.628 174.600 0.077 0.000 1.032 18 S CA 1.588 59.816 58.200 0.048 0.000 0.973 18 S CB -0.364 62.859 63.200 0.038 0.000 0.849 18 S HN 0.886 nan 8.310 nan 0.000 0.465 19 E N 0.131 120.409 120.200 0.129 0.000 2.442 19 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 19 E C 1.924 178.694 176.600 0.284 0.000 1.030 19 E CA 0.306 56.823 56.400 0.194 0.000 0.869 19 E CB -0.328 29.493 29.700 0.202 0.000 0.857 19 E HN 0.534 nan 8.360 nan 0.000 0.505 20 I N 2.030 122.734 120.570 0.222 0.000 2.286 20 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 20 I C 2.672 178.826 176.117 0.061 0.000 1.115 20 I CA 1.404 62.742 61.300 0.064 0.000 1.392 20 I CB -0.152 37.804 38.000 -0.074 0.000 1.065 20 I HN 0.155 nan 8.210 nan 0.000 0.418 21 E N 0.964 121.199 120.200 0.057 0.000 2.150 21 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 21 E C 2.190 178.832 176.600 0.071 0.000 0.985 21 E CA 1.014 57.445 56.400 0.052 0.000 0.814 21 E CB 0.016 29.729 29.700 0.022 0.000 0.752 21 E HN 0.503 nan 8.360 nan 0.000 0.466 22 A N 0.612 123.479 122.820 0.079 0.000 2.172 22 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 22 A C 1.969 179.596 177.584 0.073 0.000 1.154 22 A CA 0.391 52.464 52.037 0.061 0.000 0.701 22 A CB -0.345 18.695 19.000 0.068 0.000 0.789 22 A HN 0.253 nan 8.150 nan 0.000 0.465 23 L N -2.179 119.114 121.223 0.118 0.000 2.362 23 L HA 0.059 4.399 4.340 -0.000 0.000 0.219 23 L C 0.413 177.362 176.870 0.132 0.000 1.134 23 L CA 0.494 55.399 54.840 0.110 0.000 0.807 23 L CB -0.054 42.076 42.059 0.119 0.000 0.927 23 L HN 0.494 nan 8.230 nan 0.000 0.447 24 F N 0.090 120.020 119.950 -0.032 0.000 2.617 24 F HA 0.331 4.858 4.527 -0.000 0.000 0.325 24 F C -0.916 174.844 175.800 -0.067 0.000 1.179 24 F CA -1.381 56.570 58.000 -0.081 0.000 0.965 24 F CB 1.065 40.023 39.000 -0.071 0.000 1.232 24 F HN -0.251 nan 8.300 nan 0.000 0.461 25 D N 5.353 125.330 120.400 -0.706 0.000 2.317 25 D HA 0.117 4.757 4.640 -0.000 0.000 0.234 25 D C 0.507 176.117 176.300 -1.150 0.000 1.112 25 D CA 0.171 53.752 54.000 -0.697 0.000 0.840 25 D CB 1.596 42.186 40.800 -0.350 0.000 1.078 25 D HN 0.919 nan 8.370 nan 0.000 0.486 26 E N 3.049 122.618 120.200 -1.051 0.000 2.021 26 E HA -0.106 4.244 4.350 -0.000 0.000 0.189 26 E C -0.002 176.346 176.600 -0.419 0.000 0.980 26 E CA 0.349 56.245 56.400 -0.840 0.000 0.803 26 E CB 0.165 29.530 29.700 -0.558 0.000 0.766 26 E HN 0.521 nan 8.360 nan 0.000 0.449 27 H N 0.485 119.448 119.070 -0.177 0.000 3.004 27 H HA 0.478 5.034 4.556 -0.000 0.000 0.267 27 H C -0.317 174.947 175.328 -0.107 0.000 1.165 27 H CA 0.508 56.497 56.048 -0.099 0.000 1.450 27 H CB 0.219 29.943 29.762 -0.062 0.000 1.488 27 H HN 0.406 nan 8.280 nan 0.000 0.478 28 A N 1.894 124.712 122.820 -0.002 0.000 2.435 28 A HA -0.002 4.318 4.320 -0.000 0.000 0.686 28 A C 0.775 178.296 177.584 -0.105 0.000 0.138 28 A CA -0.161 51.849 52.037 -0.045 0.000 0.025 28 A CB -1.292 17.675 19.000 -0.055 0.000 3.974 28 A HN 0.908 nan 8.150 nan 0.000 0.548 29 G N 3.068 111.838 108.800 -0.049 0.000 3.717 29 G HA2 0.469 4.429 3.960 -0.000 0.000 0.258 29 G HA3 0.469 4.429 3.960 -0.000 0.000 0.258 29 G C 0.245 175.140 174.900 -0.009 0.000 1.088 29 G CA -0.361 44.722 45.100 -0.027 0.000 1.737 29 G HN 0.726 nan 8.290 nan 0.000 0.648 30 R N 1.140 121.581 120.500 -0.098 0.000 2.255 30 R HA 0.385 4.725 4.340 -0.000 0.000 0.326 30 R C -0.632 175.686 176.300 0.031 0.000 0.986 30 R CA -0.652 55.426 56.100 -0.037 0.000 0.847 30 R CB 1.603 31.860 30.300 -0.072 0.000 1.111 30 R HN 0.197 nan 8.270 nan 0.000 0.452 31 I N 2.132 122.755 120.570 0.088 0.000 2.321 31 I HA 0.057 4.227 4.170 -0.000 0.000 0.291 31 I C 0.360 176.452 176.117 -0.042 0.000 0.998 31 I CA -0.654 60.661 61.300 0.025 0.000 1.227 31 I CB 1.386 39.330 38.000 -0.094 0.000 1.368 31 I HN 0.359 nan 8.210 nan 0.000 0.466 32 D N 9.715 130.064 120.400 -0.085 0.000 2.336 32 D HA 0.126 4.766 4.640 -0.000 0.000 0.249 32 D C -1.486 174.741 176.300 -0.121 0.000 1.213 32 D CA -2.222 51.711 54.000 -0.111 0.000 0.870 32 D CB 1.461 42.231 40.800 -0.050 0.000 1.076 32 D HN 0.234 nan 8.370 nan 0.000 0.483 33 P HA -0.153 nan 4.420 nan 0.000 0.220 33 P C 1.140 178.519 177.300 0.132 0.000 1.144 33 P CA 0.758 63.861 63.100 0.004 0.000 0.800 33 P CB 0.288 31.773 31.700 -0.358 0.000 0.772 34 R N 0.188 120.700 120.500 0.021 0.000 2.159 34 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 34 R C 2.509 178.795 176.300 -0.023 0.000 1.131 34 R CA 1.373 57.508 56.100 0.057 0.000 0.982 34 R CB -1.059 29.314 30.300 0.122 0.000 0.868 34 R HN 0.347 nan 8.270 nan 0.000 0.453 35 I N -2.572 117.868 120.570 -0.215 0.000 2.423 35 I HA -0.271 3.898 4.170 -0.000 0.000 0.254 35 I C 1.100 176.927 176.117 -0.484 0.000 1.151 35 I CA 1.566 62.603 61.300 -0.439 0.000 1.421 35 I CB -0.425 37.043 38.000 -0.886 0.000 1.079 35 I HN 0.034 nan 8.210 nan 0.000 0.431 36 Y N 1.536 121.686 120.300 -0.250 0.000 2.511 36 Y HA 0.039 4.589 4.550 -0.000 0.000 0.279 36 Y C 2.404 178.275 175.900 -0.048 0.000 1.157 36 Y CA 0.860 58.811 58.100 -0.248 0.000 1.300 36 Y CB -0.014 38.306 38.460 -0.233 0.000 1.052 36 Y HN 0.435 nan 8.280 nan 0.000 0.529 37 T N -5.364 109.270 114.554 0.132 0.000 2.992 37 T HA 0.048 4.398 4.350 -0.000 0.000 0.255 37 T C 0.280 175.053 174.700 0.122 0.000 0.938 37 T CA -0.319 61.863 62.100 0.137 0.000 0.895 37 T CB -0.091 68.864 68.868 0.146 0.000 1.221 37 T HN 0.023 nan 8.240 nan 0.000 0.512 38 D N 1.646 122.126 120.400 0.134 0.000 2.383 38 D HA 0.111 4.751 4.640 -0.000 0.000 0.252 38 D C 0.908 177.327 176.300 0.199 0.000 1.166 38 D CA 0.141 54.253 54.000 0.188 0.000 0.879 38 D CB 1.750 42.700 40.800 0.251 0.000 1.164 38 D HN 0.173 nan 8.370 nan 0.000 0.462 39 E N 2.857 123.177 120.200 0.200 0.000 2.051 39 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 39 E C 0.970 177.723 176.600 0.255 0.000 0.991 39 E CA 1.602 58.123 56.400 0.200 0.000 0.799 39 E CB 0.162 29.950 29.700 0.147 0.000 0.748 39 E HN 0.525 nan 8.360 nan 0.000 0.449 40 D N -0.256 120.306 120.400 0.271 0.000 2.194 40 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 40 D C 1.944 178.336 176.300 0.153 0.000 0.964 40 D CA 0.314 54.465 54.000 0.252 0.000 0.846 40 D CB -0.123 40.889 40.800 0.354 0.000 0.962 40 D HN 0.166 nan 8.370 nan 0.000 0.490 41 L N 0.853 122.116 121.223 0.067 0.000 2.043 41 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 41 L C 2.327 179.240 176.870 0.072 0.000 1.075 41 L CA 1.442 56.200 54.840 -0.137 0.000 0.752 41 L CB -1.012 40.913 42.059 -0.223 0.000 0.891 41 L HN 0.054 nan 8.230 nan 0.000 0.432 42 Y N -0.310 120.033 120.300 0.072 0.000 2.165 42 Y HA -0.290 4.260 4.550 -0.000 0.000 0.286 42 Y C 2.536 178.497 175.900 0.102 0.000 1.155 42 Y CA 1.854 60.033 58.100 0.131 0.000 1.164 42 Y CB -0.160 38.372 38.460 0.121 0.000 0.978 42 Y HN 0.274 nan 8.280 nan 0.000 0.513 43 Q N 0.178 119.990 119.800 0.021 0.000 2.170 43 Q HA -0.140 4.200 4.340 -0.000 0.000 0.203 43 Q C 2.422 178.352 176.000 -0.117 0.000 0.976 43 Q CA 1.506 57.256 55.803 -0.089 0.000 0.858 43 Q CB -0.409 28.355 28.738 0.042 0.000 0.907 43 Q HN 0.565 nan 8.270 nan 0.000 0.433 44 L N 0.632 121.810 121.223 -0.075 0.000 2.027 44 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 44 L C 2.254 179.056 176.870 -0.112 0.000 1.074 44 L CA 1.236 56.015 54.840 -0.102 0.000 0.745 44 L CB -0.711 41.268 42.059 -0.133 0.000 0.898 44 L HN 0.298 nan 8.230 nan 0.000 0.433 45 E N 0.648 120.811 120.200 -0.061 0.000 2.086 45 E HA -0.278 4.072 4.350 -0.000 0.000 0.200 45 E C 2.293 178.956 176.600 0.105 0.000 1.012 45 E CA 1.192 57.630 56.400 0.062 0.000 0.812 45 E CB -0.401 29.532 29.700 0.389 0.000 0.743 45 E HN 0.470 nan 8.360 nan 0.000 0.453 46 L N 0.657 121.836 121.223 -0.072 0.000 2.189 46 L HA -0.202 4.138 4.340 -0.000 0.000 0.214 46 L C 2.601 179.464 176.870 -0.012 0.000 1.097 46 L CA 1.311 56.095 54.840 -0.094 0.000 0.764 46 L CB -0.296 41.558 42.059 -0.342 0.000 0.900 46 L HN 0.268 nan 8.230 nan 0.000 0.436 47 E N -0.375 119.794 120.200 -0.051 0.000 2.290 47 E HA -0.030 4.320 4.350 -0.000 0.000 0.197 47 E C 1.729 178.292 176.600 -0.062 0.000 0.948 47 E CA 0.079 56.444 56.400 -0.058 0.000 0.895 47 E CB 0.504 30.159 29.700 -0.074 0.000 0.865 47 E HN 0.366 nan 8.360 nan 0.000 0.486 48 R N -0.403 120.039 120.500 -0.095 0.000 2.509 48 R HA 0.196 4.536 4.340 -0.000 0.000 0.297 48 R C 1.283 177.466 176.300 -0.195 0.000 0.951 48 R CA -0.001 56.002 56.100 -0.162 0.000 1.103 48 R CB 1.435 31.602 30.300 -0.221 0.000 1.283 48 R HN 0.003 nan 8.270 nan 0.000 0.534 49 V N -0.812 119.010 119.914 -0.152 0.000 2.950 49 V HA 0.064 4.184 4.120 -0.000 0.000 0.231 49 V C 1.248 177.173 176.094 -0.283 0.000 1.205 49 V CA 0.764 62.912 62.300 -0.253 0.000 1.239 49 V CB -0.147 31.431 31.823 -0.408 0.000 1.050 49 V HN 0.023 nan 8.190 nan 0.000 0.498 50 F N 1.412 121.300 119.950 -0.104 0.000 2.187 50 F HA 0.158 4.685 4.527 -0.000 0.000 0.295 50 F C 2.297 178.122 175.800 0.040 0.000 1.091 50 F CA 1.272 59.224 58.000 -0.081 0.000 1.308 50 F CB -0.604 38.311 39.000 -0.142 0.000 1.030 50 F HN 0.123 nan 8.300 nan 0.000 0.487 51 A N -0.181 122.776 122.820 0.228 0.000 2.252 51 A HA 0.087 4.407 4.320 -0.000 0.000 0.207 51 A C 1.649 179.340 177.584 0.178 0.000 1.194 51 A CA 0.549 52.742 52.037 0.261 0.000 0.809 51 A CB -0.556 18.499 19.000 0.091 0.000 0.814 51 A HN 0.404 nan 8.150 nan 0.000 0.482 52 R N -0.731 119.820 120.500 0.086 0.000 2.519 52 R HA 0.131 4.471 4.340 -0.000 0.000 0.375 52 R C -0.198 176.160 176.300 0.096 0.000 0.926 52 R CA 0.689 56.845 56.100 0.094 0.000 1.166 52 R CB 0.691 31.000 30.300 0.015 0.000 1.626 52 R HN 0.502 nan 8.270 nan 0.000 0.529 53 S N -1.387 114.303 115.700 -0.016 0.000 2.709 53 S HA 0.496 4.966 4.470 -0.000 0.000 0.302 53 S C -1.064 173.375 174.600 -0.268 0.000 1.127 53 S CA -0.838 57.337 58.200 -0.042 0.000 0.905 53 S CB 1.211 64.580 63.200 0.282 0.000 1.151 53 S HN 0.207 nan 8.310 nan 0.000 0.510 54 W N 0.968 122.084 121.300 -0.307 0.000 2.332 54 W HA 0.608 5.268 4.660 -0.000 0.000 0.306 54 W C -0.561 176.082 176.519 0.205 0.000 1.149 54 W CA -0.546 56.709 57.345 -0.149 0.000 1.271 54 W CB 0.762 29.963 29.460 -0.432 0.000 1.243 54 W HN 0.423 nan 8.180 nan 0.000 0.459 55 L N 4.318 125.785 121.223 0.406 0.000 2.334 55 L HA 0.500 4.840 4.340 -0.000 0.000 0.272 55 L C -0.395 176.544 176.870 0.115 0.000 1.020 55 L CA -1.489 53.509 54.840 0.263 0.000 0.812 55 L CB 1.143 43.264 42.059 0.104 0.000 1.264 55 L HN 0.155 nan 8.230 nan 0.000 0.439 56 L N 2.547 123.711 121.223 -0.098 0.000 2.261 56 L HA 0.259 4.599 4.340 -0.000 0.000 0.289 56 L C 0.352 177.109 176.870 -0.187 0.000 1.059 56 L CA 0.450 55.041 54.840 -0.415 0.000 0.816 56 L CB 0.515 42.363 42.059 -0.352 0.000 1.191 56 L HN 0.553 nan 8.230 nan 0.000 0.431 57 L N 4.799 125.917 121.223 -0.175 0.000 2.416 57 L HA 0.474 4.813 4.340 -0.000 0.000 0.216 57 L C 1.146 178.036 176.870 0.034 0.000 1.098 57 L CA 0.520 55.336 54.840 -0.040 0.000 0.840 57 L CB -0.506 41.522 42.059 -0.051 0.000 0.981 57 L HN 0.871 nan 8.230 nan 0.000 0.462 58 G N -1.632 107.174 108.800 0.010 0.000 2.334 58 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.249 58 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.249 58 G C -1.746 173.154 174.900 -0.000 0.000 1.327 58 G CA -0.700 44.440 45.100 0.068 0.000 0.979 58 G HN 0.031 nan 8.290 nan 0.000 0.471 59 H N 0.621 119.518 119.070 -0.289 0.000 2.569 59 H HA 0.457 5.013 4.556 -0.000 0.000 0.357 59 H C 1.132 176.365 175.328 -0.159 0.000 1.153 59 H CA -0.123 55.794 56.048 -0.218 0.000 1.193 59 H CB 2.167 31.716 29.762 -0.355 0.000 1.602 59 H HN 0.650 nan 8.280 nan 0.000 0.523 60 E N 1.596 121.480 120.200 -0.528 0.000 2.086 60 E HA -0.175 4.175 4.350 -0.000 0.000 0.200 60 E C 1.318 177.875 176.600 -0.071 0.000 1.012 60 E CA 1.878 58.125 56.400 -0.255 0.000 0.812 60 E CB 0.090 29.617 29.700 -0.288 0.000 0.743 60 E HN 0.617 nan 8.360 nan 0.000 0.453 61 T N 1.369 115.979 114.554 0.093 0.000 2.822 61 T HA -0.194 4.156 4.350 -0.000 0.000 0.270 61 T C 1.558 176.264 174.700 0.010 0.000 1.064 61 T CA 1.273 63.433 62.100 0.101 0.000 1.131 61 T CB -0.137 68.839 68.868 0.180 0.000 0.858 61 T HN 0.268 nan 8.240 nan 0.000 0.483 62 Q N 0.495 120.281 119.800 -0.024 0.000 2.515 62 Q HA 0.143 4.483 4.340 -0.000 0.000 0.212 62 Q C 0.890 176.862 176.000 -0.046 0.000 0.970 62 Q CA 0.530 56.292 55.803 -0.069 0.000 0.941 62 Q CB -0.182 28.481 28.738 -0.125 0.000 0.998 62 Q HN 0.682 nan 8.270 nan 0.000 0.518 63 I N -3.997 116.553 120.570 -0.033 0.000 2.914 63 I HA 0.346 4.516 4.170 -0.000 0.000 0.303 63 I C 0.291 176.397 176.117 -0.019 0.000 1.553 63 I CA -0.713 60.573 61.300 -0.023 0.000 0.799 63 I CB 0.737 38.739 38.000 0.003 0.000 2.056 63 I HN -0.229 nan 8.210 nan 0.000 0.613 64 R N 1.913 122.400 120.500 -0.022 0.000 2.088 64 R HA 0.064 4.404 4.340 -0.000 0.000 0.232 64 R C 0.505 176.797 176.300 -0.014 0.000 1.136 64 R CA 1.455 57.545 56.100 -0.017 0.000 0.926 64 R CB -0.137 30.153 30.300 -0.017 0.000 0.837 64 R HN 0.490 nan 8.270 nan 0.000 0.429 65 K N 1.094 121.484 120.400 -0.017 0.000 2.202 65 K HA 0.173 4.493 4.320 -0.000 0.000 0.264 65 K C -2.389 174.208 176.600 -0.005 0.000 1.010 65 K CA -1.868 54.411 56.287 -0.014 0.000 0.940 65 K CB 0.324 32.812 32.500 -0.021 0.000 0.983 65 K HN -0.105 nan 8.250 nan 0.000 0.475 66 P HA -0.065 nan 4.420 nan 0.000 0.267 66 P C 0.532 177.839 177.300 0.011 0.000 1.200 66 P CA 0.689 63.795 63.100 0.010 0.000 0.772 66 P CB 0.483 32.187 31.700 0.006 0.000 0.855 67 G N 0.925 109.746 108.800 0.036 0.000 2.184 67 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.264 67 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.264 67 G C -0.072 174.867 174.900 0.064 0.000 0.975 67 G CA -0.128 45.000 45.100 0.047 0.000 0.642 67 G HN 0.516 nan 8.290 nan 0.000 0.536 68 D N 0.472 120.886 120.400 0.024 0.000 2.390 68 D HA 0.519 5.159 4.640 -0.000 0.000 0.249 68 D C 0.608 176.943 176.300 0.059 0.000 1.144 68 D CA 0.396 54.368 54.000 -0.048 0.000 0.880 68 D CB 0.453 41.219 40.800 -0.056 0.000 1.182 68 D HN 0.554 nan 8.370 nan 0.000 0.451 69 Y N 0.302 120.674 120.300 0.121 0.000 2.630 69 Y HA 0.744 5.294 4.550 -0.000 0.000 0.337 69 Y C -0.592 175.346 175.900 0.064 0.000 1.051 69 Y CA -1.633 56.540 58.100 0.123 0.000 1.121 69 Y CB 0.844 39.436 38.460 0.219 0.000 1.299 69 Y HN 0.249 nan 8.280 nan 0.000 0.498 70 I N -1.149 119.630 120.570 0.349 0.000 2.841 70 I HA 0.720 4.890 4.170 -0.000 0.000 0.298 70 I C -0.959 175.259 176.117 0.167 0.000 1.304 70 I CA -0.974 60.478 61.300 0.255 0.000 1.019 70 I CB 2.279 40.352 38.000 0.123 0.000 1.282 70 I HN 0.796 nan 8.210 nan 0.000 0.432 71 T N 0.928 115.563 114.554 0.135 0.000 2.824 71 T HA 0.829 5.179 4.350 -0.000 0.000 0.280 71 T C -0.180 174.592 174.700 0.120 0.000 0.995 71 T CA -0.254 61.845 62.100 -0.002 0.000 1.009 71 T CB 1.761 70.587 68.868 -0.071 0.000 0.955 71 T HN 1.048 nan 8.240 nan 0.000 0.452 72 T N 0.834 115.347 114.554 -0.069 0.000 2.589 72 T HA 0.597 4.947 4.350 -0.000 0.000 0.261 72 T C -1.955 172.404 174.700 -0.568 0.000 0.936 72 T CA -0.651 61.386 62.100 -0.105 0.000 1.202 72 T CB 0.517 69.422 68.868 0.062 0.000 1.576 72 T HN 0.625 nan 8.240 nan 0.000 0.464 73 Y N 0.234 120.198 120.300 -0.560 0.000 2.470 73 Y HA 0.647 5.197 4.550 -0.000 0.000 0.341 73 Y C -0.348 175.421 175.900 -0.218 0.000 1.021 73 Y CA -0.815 56.977 58.100 -0.514 0.000 1.025 73 Y CB 2.211 40.067 38.460 -1.007 0.000 1.266 73 Y HN 0.450 nan 8.280 nan 0.000 0.448 74 M N 3.494 123.117 119.600 0.037 0.000 2.036 74 M HA 0.477 4.957 4.480 -0.000 0.000 0.337 74 M C 0.686 177.078 176.300 0.152 0.000 1.012 74 M CA 0.106 55.468 55.300 0.103 0.000 0.962 74 M CB 0.932 33.549 32.600 0.027 0.000 1.423 74 M HN 0.993 nan 8.290 nan 0.000 0.405 75 G N 2.640 111.449 108.800 0.015 0.000 2.536 75 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.277 75 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.277 75 G C 0.261 175.052 174.900 -0.182 0.000 1.155 75 G CA 0.281 45.198 45.100 -0.305 0.000 0.960 75 G HN 0.693 nan 8.290 nan 0.000 0.544 76 E N 1.402 121.540 120.200 -0.102 0.000 2.651 76 E HA 0.237 4.587 4.350 -0.000 0.000 0.208 76 E C -0.823 175.867 176.600 0.150 0.000 0.997 76 E CA -0.146 56.255 56.400 0.003 0.000 1.020 76 E CB 0.173 29.848 29.700 -0.040 0.000 1.052 76 E HN 0.413 nan 8.360 nan 0.000 0.465 77 D N 2.564 123.060 120.400 0.160 0.000 2.280 77 D HA 0.170 4.810 4.640 -0.000 0.000 0.236 77 D C -2.407 173.874 176.300 -0.033 0.000 1.082 77 D CA -1.582 52.474 54.000 0.093 0.000 0.834 77 D CB 1.754 42.624 40.800 0.116 0.000 1.100 77 D HN 0.083 nan 8.370 nan 0.000 0.486 78 P HA 0.056 nan 4.420 nan 0.000 0.281 78 P C -0.310 176.752 177.300 -0.397 0.000 1.252 78 P CA -0.394 62.276 63.100 -0.717 0.000 0.778 78 P CB 1.258 32.600 31.700 -0.597 0.000 0.895 79 V N 1.802 121.455 119.914 -0.435 0.000 2.769 79 V HA 0.608 4.728 4.120 -0.000 0.000 0.312 79 V C -0.247 175.563 176.094 -0.473 0.000 1.061 79 V CA -1.069 61.018 62.300 -0.355 0.000 0.931 79 V CB 1.984 33.654 31.823 -0.255 0.000 1.010 79 V HN 0.221 nan 8.190 nan 0.000 0.433 80 V N 3.271 122.752 119.914 -0.723 0.000 2.472 80 V HA 0.573 4.693 4.120 -0.000 0.000 0.290 80 V C -0.074 175.732 176.094 -0.480 0.000 1.037 80 V CA -0.508 61.352 62.300 -0.734 0.000 0.908 80 V CB 1.578 32.646 31.823 -1.258 0.000 0.985 80 V HN 0.763 nan 8.190 nan 0.000 0.454 81 V N 5.243 125.051 119.914 -0.177 0.000 2.349 81 V HA 0.478 4.598 4.120 -0.000 0.000 0.284 81 V C -0.454 175.710 176.094 0.117 0.000 1.014 81 V CA -0.367 61.917 62.300 -0.025 0.000 0.826 81 V CB 1.670 33.486 31.823 -0.011 0.000 1.009 81 V HN 0.660 nan 8.190 nan 0.000 0.431 82 V N 4.250 124.274 119.914 0.182 0.000 2.531 82 V HA 0.556 4.676 4.120 -0.000 0.000 0.301 82 V C -0.039 176.167 176.094 0.186 0.000 1.034 82 V CA -1.104 61.360 62.300 0.273 0.000 0.865 82 V CB 2.025 34.121 31.823 0.457 0.000 0.995 82 V HN 0.801 nan 8.190 nan 0.000 0.424 83 R N 3.886 124.470 120.500 0.139 0.000 2.401 83 R HA 0.338 4.678 4.340 -0.000 0.000 0.299 83 R C 0.080 176.432 176.300 0.088 0.000 1.064 83 R CA 0.237 56.388 56.100 0.085 0.000 1.000 83 R CB 0.371 30.700 30.300 0.049 0.000 0.973 83 R HN 0.712 nan 8.270 nan 0.000 0.438 84 Q N 3.163 123.006 119.800 0.071 0.000 2.166 84 Q HA 0.220 4.560 4.340 -0.000 0.000 0.226 84 Q C 0.609 176.630 176.000 0.034 0.000 0.989 84 Q CA -0.620 55.219 55.803 0.060 0.000 0.966 84 Q CB 0.461 29.235 28.738 0.061 0.000 1.173 84 Q HN 0.485 nan 8.270 nan 0.000 0.509 85 K N 1.002 121.416 120.400 0.024 0.000 2.103 85 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 85 K C 0.867 177.472 176.600 0.009 0.000 1.048 85 K CA 1.440 57.734 56.287 0.012 0.000 0.930 85 K CB -0.101 32.403 32.500 0.006 0.000 0.716 85 K HN 0.658 nan 8.250 nan 0.000 0.444 86 D N 0.065 120.472 120.400 0.013 0.000 2.352 86 D HA 0.116 4.756 4.640 -0.000 0.000 0.236 86 D C 0.549 176.854 176.300 0.009 0.000 1.148 86 D CA 0.543 54.548 54.000 0.009 0.000 0.844 86 D CB -0.025 40.781 40.800 0.010 0.000 0.933 86 D HN 0.094 nan 8.370 nan 0.000 0.507 87 A N -0.069 122.759 122.820 0.012 0.000 2.869 87 A HA -0.251 4.069 4.320 -0.000 0.000 0.272 87 A C 1.052 178.645 177.584 0.014 0.000 1.332 87 A CA 1.114 53.157 52.037 0.010 0.000 0.939 87 A CB -2.571 16.429 19.000 -0.000 0.000 1.018 87 A HN 0.855 nan 8.150 nan 0.000 0.696 88 S N -1.016 114.698 115.700 0.023 0.000 2.608 88 S HA 0.634 5.104 4.470 -0.000 0.000 0.261 88 S C 0.059 174.687 174.600 0.047 0.000 1.314 88 S CA 0.103 58.322 58.200 0.032 0.000 0.992 88 S CB 0.805 64.028 63.200 0.037 0.000 0.935 88 S HN 0.777 nan 8.310 nan 0.000 0.564 89 I N 1.708 122.309 120.570 0.053 0.000 2.382 89 I HA 0.443 4.613 4.170 -0.000 0.000 0.285 89 I C 0.184 176.356 176.117 0.091 0.000 1.007 89 I CA -0.614 60.726 61.300 0.067 0.000 1.142 89 I CB 1.215 39.242 38.000 0.045 0.000 1.289 89 I HN 0.852 nan 8.210 nan 0.000 0.453 90 A N 6.603 129.503 122.820 0.133 0.000 2.301 90 A HA 0.701 5.021 4.320 -0.000 0.000 0.298 90 A C -0.530 177.169 177.584 0.192 0.000 1.185 90 A CA -0.361 51.785 52.037 0.181 0.000 0.830 90 A CB 0.958 20.103 19.000 0.242 0.000 1.112 90 A HN 0.459 nan 8.150 nan 0.000 0.508 91 V N 4.315 124.317 119.914 0.147 0.000 2.380 91 V HA 0.489 4.609 4.120 -0.000 0.000 0.286 91 V C -0.990 175.163 176.094 0.099 0.000 1.015 91 V CA -0.225 62.089 62.300 0.024 0.000 0.834 91 V CB 0.312 32.078 31.823 -0.094 0.000 1.009 91 V HN 0.781 nan 8.190 nan 0.000 0.428 92 F N 3.833 123.779 119.950 -0.007 0.000 2.546 92 F HA 0.807 5.334 4.527 -0.000 0.000 0.320 92 F C -0.652 175.190 175.800 0.070 0.000 1.076 92 F CA -1.740 56.295 58.000 0.058 0.000 0.928 92 F CB 1.319 40.341 39.000 0.036 0.000 1.189 92 F HN 0.325 nan 8.300 nan 0.000 0.465 93 L N 3.405 124.813 121.223 0.309 0.000 2.628 93 L HA 0.096 4.436 4.340 -0.000 0.000 0.274 93 L C 0.598 177.457 176.870 -0.018 0.000 1.209 93 L CA 0.484 55.424 54.840 0.166 0.000 0.930 93 L CB -0.333 41.801 42.059 0.126 0.000 1.183 93 L HN 0.812 nan 8.230 nan 0.000 0.492 94 N N 4.604 123.187 118.700 -0.194 0.000 3.105 94 N HA -0.000 4.740 4.740 -0.000 0.000 0.309 94 N C -0.808 174.617 175.510 -0.142 0.000 1.291 94 N CA 0.192 53.082 53.050 -0.265 0.000 1.153 94 N CB -0.340 37.931 38.487 -0.359 0.000 1.447 94 N HN 0.786 nan 8.380 nan 0.000 0.555 95 Q N 0.264 120.028 119.800 -0.061 0.000 2.275 95 Q HA 0.218 4.558 4.340 -0.000 0.000 0.258 95 Q C -1.104 174.910 176.000 0.024 0.000 0.960 95 Q CA -0.815 54.973 55.803 -0.026 0.000 0.801 95 Q CB 0.472 29.198 28.738 -0.019 0.000 1.302 95 Q HN 0.255 nan 8.270 nan 0.000 0.433 96 C N 4.140 123.462 119.300 0.036 0.000 2.634 96 C HA 0.198 4.658 4.460 -0.000 0.000 0.418 96 C C 1.297 176.396 174.990 0.181 0.000 1.373 96 C CA -0.006 59.103 59.018 0.152 0.000 1.756 96 C CB -0.214 27.625 27.740 0.164 0.000 2.589 96 C HN 1.087 nan 8.230 nan 0.000 0.602 97 R N 1.972 122.673 120.500 0.335 0.000 2.323 97 R HA -0.023 4.317 4.340 -0.000 0.000 0.198 97 R C 1.882 178.307 176.300 0.208 0.000 0.988 97 R CA 0.507 56.823 56.100 0.359 0.000 1.041 97 R CB -0.327 30.358 30.300 0.641 0.000 0.926 97 R HN 0.902 nan 8.270 nan 0.000 0.476 98 H N -0.055 118.860 119.070 -0.257 0.000 2.294 98 H HA 0.081 4.637 4.556 -0.000 0.000 0.306 98 H C 0.991 176.180 175.328 -0.232 0.000 1.065 98 H CA 0.761 56.468 56.048 -0.568 0.000 1.343 98 H CB 0.616 29.615 29.762 -1.272 0.000 1.396 98 H HN -0.082 nan 8.280 nan 0.000 0.506 99 R N -0.720 119.572 120.500 -0.347 0.000 2.549 99 R HA 0.144 4.484 4.340 -0.000 0.000 0.399 99 R C 0.413 176.686 176.300 -0.044 0.000 0.964 99 R CA 0.536 56.502 56.100 -0.224 0.000 1.173 99 R CB 1.067 31.215 30.300 -0.253 0.000 1.535 99 R HN 0.618 nan 8.270 nan 0.000 0.551 100 G N 2.186 110.980 108.800 -0.009 0.000 2.160 100 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.244 100 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.244 100 G C 0.159 175.063 174.900 0.006 0.000 1.022 100 G CA 0.615 45.722 45.100 0.012 0.000 0.741 100 G HN 0.232 nan 8.290 nan 0.000 0.508 101 M N 0.381 119.996 119.600 0.026 0.000 2.245 101 M HA 0.503 4.983 4.480 -0.000 0.000 0.330 101 M C 0.880 177.170 176.300 -0.017 0.000 1.098 101 M CA -0.704 54.597 55.300 0.002 0.000 1.172 101 M CB 0.381 33.005 32.600 0.040 0.000 1.467 101 M HN 0.327 nan 8.290 nan 0.000 0.454 102 R N 3.221 123.693 120.500 -0.047 0.000 2.489 102 R HA 0.193 4.533 4.340 -0.000 0.000 0.287 102 R C 0.418 176.675 176.300 -0.071 0.000 1.053 102 R CA 0.132 56.187 56.100 -0.075 0.000 1.036 102 R CB 0.125 30.375 30.300 -0.083 0.000 0.966 102 R HN 0.933 nan 8.270 nan 0.000 0.432 103 I N 2.553 123.051 120.570 -0.121 0.000 2.270 103 I HA -0.084 4.086 4.170 -0.000 0.000 0.239 103 I C 0.856 176.854 176.117 -0.198 0.000 1.080 103 I CA 0.506 61.728 61.300 -0.129 0.000 1.383 103 I CB 0.122 37.996 38.000 -0.210 0.000 1.097 103 I HN 0.525 nan 8.210 nan 0.000 0.420 104 C N 1.692 120.777 119.300 -0.358 0.000 2.341 104 C HA 0.361 4.821 4.460 -0.000 0.000 0.338 104 C C 1.602 176.434 174.990 -0.263 0.000 1.257 104 C CA -0.473 58.283 59.018 -0.437 0.000 1.883 104 C CB 0.469 27.716 27.740 -0.821 0.000 2.334 104 C HN 0.365 nan 8.230 nan 0.000 0.524 105 R N 2.749 123.158 120.500 -0.152 0.000 2.344 105 R HA 0.242 4.582 4.340 -0.000 0.000 0.209 105 R C 0.720 177.019 176.300 -0.003 0.000 0.886 105 R CA 0.124 56.187 56.100 -0.062 0.000 1.040 105 R CB 0.486 30.773 30.300 -0.021 0.000 1.114 105 R HN 0.776 nan 8.270 nan 0.000 0.547 106 A N 0.737 123.587 122.820 0.050 0.000 2.242 106 A HA 0.216 4.536 4.320 -0.000 0.000 0.304 106 A C 0.164 177.838 177.584 0.150 0.000 1.100 106 A CA -0.409 51.707 52.037 0.132 0.000 0.860 106 A CB 0.542 19.678 19.000 0.227 0.000 1.168 106 A HN -0.075 nan 8.150 nan 0.000 0.503 107 D N -0.440 120.045 120.400 0.141 0.000 2.183 107 D HA 0.337 4.977 4.640 -0.000 0.000 0.203 107 D C 0.552 176.972 176.300 0.200 0.000 0.969 107 D CA 2.017 56.092 54.000 0.124 0.000 0.842 107 D CB 0.135 40.966 40.800 0.051 0.000 0.957 107 D HN 0.802 nan 8.370 nan 0.000 0.484 108 A N -1.486 121.484 122.820 0.250 0.000 2.597 108 A HA 0.683 5.003 4.320 -0.000 0.000 0.292 108 A C -0.249 177.257 177.584 -0.130 0.000 1.057 108 A CA -0.062 52.039 52.037 0.107 0.000 0.674 108 A CB 1.211 20.212 19.000 0.003 0.000 1.278 108 A HN 0.273 nan 8.150 nan 0.000 0.416 109 G N 0.146 108.507 108.800 -0.732 0.000 2.343 109 G HA2 0.404 4.364 3.960 -0.000 0.000 0.289 109 G HA3 0.404 4.364 3.960 -0.000 0.000 0.289 109 G C -1.813 172.527 174.900 -0.934 0.000 1.295 109 G CA -0.208 44.475 45.100 -0.694 0.000 0.869 109 G HN 1.049 nan 8.290 nan 0.000 0.522 110 N N 0.023 118.477 118.700 -0.409 0.000 2.314 110 N HA 0.717 5.457 4.740 -0.000 0.000 0.304 110 N C -0.688 174.835 175.510 0.023 0.000 1.073 110 N CA 0.159 53.098 53.050 -0.185 0.000 0.822 110 N CB 2.041 40.470 38.487 -0.097 0.000 1.280 110 N HN 1.278 nan 8.380 nan 0.000 0.489 111 A N 2.731 125.590 122.820 0.065 0.000 2.427 111 A HA 0.367 4.687 4.320 -0.000 0.000 0.298 111 A C 0.346 177.847 177.584 -0.138 0.000 1.036 111 A CA -0.596 51.438 52.037 -0.006 0.000 0.701 111 A CB 1.371 20.317 19.000 -0.090 0.000 1.250 111 A HN 0.657 nan 8.150 nan 0.000 0.412 112 K N 0.670 120.995 120.400 -0.123 0.000 2.076 112 K HA 0.286 4.606 4.320 -0.000 0.000 0.204 112 K C 0.937 177.424 176.600 -0.188 0.000 1.051 112 K CA 1.752 57.970 56.287 -0.114 0.000 0.949 112 K CB -0.167 32.297 32.500 -0.061 0.000 0.726 112 K HN 1.009 nan 8.250 nan 0.000 0.443 113 A N -0.244 122.416 122.820 -0.267 0.000 2.529 113 A HA 0.739 5.059 4.320 -0.000 0.000 0.296 113 A C -1.561 175.777 177.584 -0.411 0.000 1.205 113 A CA -0.727 51.140 52.037 -0.284 0.000 0.671 113 A CB 0.756 19.709 19.000 -0.078 0.000 1.301 113 A HN 0.052 nan 8.150 nan 0.000 0.450 114 F N 0.759 120.801 119.950 0.154 0.000 2.518 114 F HA 0.535 5.061 4.527 -0.000 0.000 0.323 114 F C 0.176 176.125 175.800 0.248 0.000 1.129 114 F CA -0.367 57.741 58.000 0.179 0.000 0.920 114 F CB 2.903 42.011 39.000 0.180 0.000 1.160 114 F HN 0.543 nan 8.300 nan 0.000 0.440 115 T N -0.529 114.263 114.554 0.397 0.000 2.807 115 T HA 0.233 4.583 4.350 -0.000 0.000 0.279 115 T C -0.644 174.252 174.700 0.327 0.000 0.993 115 T CA -0.804 61.502 62.100 0.343 0.000 0.970 115 T CB 1.333 70.334 68.868 0.221 0.000 0.950 115 T HN 0.729 nan 8.240 nan 0.000 0.441 116 C N 3.961 123.497 119.300 0.394 0.000 2.520 116 C HA 0.256 4.716 4.460 -0.000 0.000 0.369 116 C C 2.032 177.152 174.990 0.217 0.000 1.244 116 C CA -0.159 59.039 59.018 0.300 0.000 1.677 116 C CB -1.872 26.100 27.740 0.386 0.000 2.324 116 C HN 1.025 nan 8.230 nan 0.000 0.557 117 S N 3.582 119.372 115.700 0.151 0.000 2.400 117 S HA -0.236 4.234 4.470 -0.000 0.000 0.234 117 S C 1.435 176.109 174.600 0.122 0.000 1.049 117 S CA 2.058 60.328 58.200 0.116 0.000 1.039 117 S CB -0.522 62.716 63.200 0.063 0.000 0.856 117 S HN 0.960 nan 8.310 nan 0.000 0.465 118 Y N 0.804 121.037 120.300 -0.111 0.000 2.089 118 Y HA -0.197 4.353 4.550 -0.000 0.000 0.282 118 Y C 1.619 177.249 175.900 -0.450 0.000 1.139 118 Y CA 1.557 59.437 58.100 -0.366 0.000 1.123 118 Y CB 0.078 38.210 38.460 -0.547 0.000 0.980 118 Y HN 0.402 nan 8.280 nan 0.000 0.493 119 H N -1.748 117.411 119.070 0.148 0.000 2.750 119 H HA 0.276 4.832 4.556 -0.000 0.000 0.252 119 H C 0.926 176.361 175.328 0.178 0.000 1.176 119 H CA 0.295 56.382 56.048 0.065 0.000 0.987 119 H CB 1.007 30.741 29.762 -0.046 0.000 1.810 119 H HN 0.495 nan 8.280 nan 0.000 0.630 120 G N 0.333 109.308 108.800 0.293 0.000 2.336 120 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.233 120 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.233 120 G C -0.071 175.039 174.900 0.350 0.000 1.053 120 G CA -0.215 45.060 45.100 0.292 0.000 0.625 120 G HN 0.252 nan 8.290 nan 0.000 0.511 121 W N 2.228 123.579 121.300 0.086 0.000 2.561 121 W HA 0.445 5.104 4.660 -0.000 0.000 0.343 121 W C 0.769 177.237 176.519 -0.084 0.000 1.190 121 W CA 0.279 57.599 57.345 -0.041 0.000 1.232 121 W CB -0.460 29.005 29.460 0.008 0.000 1.195 121 W HN 0.839 nan 8.180 nan 0.000 0.571 122 A N 5.067 127.822 122.820 -0.108 0.000 2.324 122 A HA 0.828 5.148 4.320 -0.000 0.000 0.330 122 A C -1.612 175.773 177.584 -0.330 0.000 1.165 122 A CA -0.529 51.469 52.037 -0.065 0.000 0.813 122 A CB 0.909 19.898 19.000 -0.019 0.000 1.197 122 A HN 0.474 nan 8.150 nan 0.000 0.484 123 Y N 0.319 120.679 120.300 0.100 0.000 2.570 123 Y HA 0.466 5.016 4.550 -0.000 0.000 0.345 123 Y C 0.024 175.948 175.900 0.041 0.000 1.014 123 Y CA -0.840 57.297 58.100 0.063 0.000 1.063 123 Y CB 1.761 40.282 38.460 0.102 0.000 1.272 123 Y HN 0.825 nan 8.280 nan 0.000 0.477 124 D N -1.642 118.842 120.400 0.139 0.000 2.387 124 D HA 0.165 4.805 4.640 -0.000 0.000 0.255 124 D C 0.805 177.161 176.300 0.092 0.000 1.081 124 D CA -0.526 53.508 54.000 0.058 0.000 0.994 124 D CB 0.661 41.466 40.800 0.010 0.000 1.127 124 D HN 0.549 nan 8.370 nan 0.000 0.513 125 T N 0.101 114.663 114.554 0.014 0.000 2.774 125 T HA -0.205 4.145 4.350 -0.000 0.000 0.264 125 T C 1.304 176.148 174.700 0.240 0.000 1.037 125 T CA 2.294 64.443 62.100 0.081 0.000 1.152 125 T CB -0.348 68.534 68.868 0.023 0.000 0.842 125 T HN 0.670 nan 8.240 nan 0.000 0.483 126 A N 0.093 122.971 122.820 0.095 0.000 2.610 126 A HA 0.592 4.912 4.320 -0.000 0.000 0.286 126 A C 1.390 178.781 177.584 -0.322 0.000 1.306 126 A CA 0.319 52.387 52.037 0.051 0.000 0.942 126 A CB -0.586 18.458 19.000 0.074 0.000 1.112 126 A HN 0.714 nan 8.150 nan 0.000 0.527 127 G N 0.682 109.055 108.800 -0.712 0.000 2.295 127 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.287 127 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.287 127 G C -0.393 174.313 174.900 -0.323 0.000 1.055 127 G CA 0.131 44.475 45.100 -1.260 0.000 0.922 127 G HN 0.561 nan 8.290 nan 0.000 0.503 128 N N -0.196 118.475 118.700 -0.049 0.000 2.419 128 N HA 0.372 5.112 4.740 -0.000 0.000 0.277 128 N C 0.111 175.669 175.510 0.080 0.000 1.006 128 N CA -0.707 52.370 53.050 0.045 0.000 0.923 128 N CB 1.940 40.422 38.487 -0.007 0.000 1.140 128 N HN 0.272 nan 8.380 nan 0.000 0.488 129 L N 3.557 124.800 121.223 0.034 0.000 2.565 129 L HA 0.048 4.388 4.340 -0.000 0.000 0.275 129 L C 0.670 177.370 176.870 -0.283 0.000 1.137 129 L CA 0.505 55.140 54.840 -0.342 0.000 0.915 129 L CB 0.425 42.313 42.059 -0.285 0.000 1.232 129 L HN 0.387 nan 8.230 nan 0.000 0.473 130 V N 5.213 124.945 119.914 -0.303 0.000 3.212 130 V HA 0.269 4.389 4.120 -0.000 0.000 0.244 130 V C 0.521 176.462 176.094 -0.255 0.000 1.151 130 V CA 0.272 62.444 62.300 -0.213 0.000 1.119 130 V CB 0.080 31.825 31.823 -0.131 0.000 0.838 130 V HN 0.935 nan 8.190 nan 0.000 0.470 131 N N -0.167 118.341 118.700 -0.320 0.000 2.397 131 N HA 0.354 5.094 4.740 -0.000 0.000 0.291 131 N C -1.617 173.652 175.510 -0.401 0.000 1.065 131 N CA -0.133 52.735 53.050 -0.304 0.000 0.884 131 N CB 2.496 40.869 38.487 -0.191 0.000 1.551 131 N HN -0.010 nan 8.380 nan 0.000 0.487 132 V N 3.877 123.515 119.914 -0.460 0.000 2.483 132 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 132 V C -2.135 173.850 176.094 -0.181 0.000 1.035 132 V CA -1.736 60.274 62.300 -0.483 0.000 0.896 132 V CB 1.629 32.992 31.823 -0.768 0.000 0.986 132 V HN 0.595 nan 8.190 nan 0.000 0.447 133 P HA 0.236 nan 4.420 nan 0.000 0.271 133 P C -0.856 176.534 177.300 0.149 0.000 1.216 133 P CA 0.001 63.118 63.100 0.029 0.000 0.771 133 P CB -0.069 31.735 31.700 0.173 0.000 0.864 134 Y N 0.456 120.768 120.300 0.020 0.000 2.988 134 Y HA -0.242 4.308 4.550 -0.000 0.000 0.193 134 Y C 1.233 177.171 175.900 0.063 0.000 1.388 134 Y CA 0.611 58.727 58.100 0.027 0.000 0.904 134 Y CB -2.200 36.273 38.460 0.022 0.000 1.297 134 Y HN 0.521 nan 8.280 nan 0.000 0.432 135 E N -0.079 120.195 120.200 0.124 0.000 2.427 135 E HA 0.062 4.412 4.350 -0.000 0.000 0.196 135 E C 2.224 178.892 176.600 0.113 0.000 1.028 135 E CA 0.460 56.959 56.400 0.166 0.000 0.864 135 E CB 0.023 29.740 29.700 0.028 0.000 0.813 135 E HN 0.658 nan 8.360 nan 0.000 0.514 136 A N 2.568 125.441 122.820 0.088 0.000 1.862 136 A HA -0.342 3.978 4.320 -0.000 0.000 0.214 136 A C 2.036 179.675 177.584 0.092 0.000 1.228 136 A CA 2.024 54.114 52.037 0.089 0.000 0.665 136 A CB -0.841 18.234 19.000 0.125 0.000 0.845 136 A HN 0.162 nan 8.150 nan 0.000 0.459 137 E N -0.131 120.145 120.200 0.127 0.000 2.200 137 E HA -0.159 4.191 4.350 -0.000 0.000 0.211 137 E C 0.964 177.549 176.600 -0.025 0.000 1.048 137 E CA 1.737 58.161 56.400 0.040 0.000 0.851 137 E CB -0.183 29.523 29.700 0.011 0.000 0.747 137 E HN 0.748 nan 8.360 nan 0.000 0.462 138 S N -2.625 113.060 115.700 -0.025 0.000 2.638 138 S HA 0.553 5.023 4.470 -0.000 0.000 0.274 138 S C -0.885 173.662 174.600 -0.088 0.000 1.157 138 S CA -0.801 57.282 58.200 -0.195 0.000 0.826 138 S CB 0.722 63.649 63.200 -0.455 0.000 1.139 138 S HN 0.173 nan 8.310 nan 0.000 0.474 139 F N -0.816 119.108 119.950 -0.043 0.000 2.355 139 F HA -0.083 4.444 4.527 -0.000 0.000 0.340 139 F C 0.859 176.635 175.800 -0.040 0.000 1.097 139 F CA 0.278 58.244 58.000 -0.056 0.000 1.174 139 F CB -1.658 37.283 39.000 -0.098 0.000 1.642 139 F HN 0.991 nan 8.300 nan 0.000 0.791 140 A N 3.176 126.046 122.820 0.085 0.000 2.898 140 A HA 0.358 4.678 4.320 -0.000 0.000 0.288 140 A C 0.825 178.452 177.584 0.071 0.000 1.771 140 A CA 0.543 52.614 52.037 0.056 0.000 1.383 140 A CB -0.512 18.504 19.000 0.027 0.000 1.028 140 A HN 2.014 nan 8.150 nan 0.000 0.595 141 C N 1.648 120.990 119.300 0.071 0.000 2.305 141 C HA -0.112 4.348 4.460 -0.000 0.000 0.273 141 C C -0.328 174.704 174.990 0.070 0.000 0.807 141 C CA 0.038 59.087 59.018 0.053 0.000 2.910 141 C CB -2.514 25.250 27.740 0.040 0.000 1.670 141 C HN 1.441 nan 8.230 nan 0.000 0.354 142 L N 6.101 127.339 121.223 0.025 0.000 2.307 142 L HA 0.629 4.969 4.340 -0.000 0.000 0.282 142 L C 0.277 177.150 176.870 0.004 0.000 1.051 142 L CA 0.185 55.009 54.840 -0.027 0.000 0.804 142 L CB 1.009 42.889 42.059 -0.298 0.000 1.197 142 L HN 0.737 nan 8.230 nan 0.000 0.431 143 N N 3.800 122.588 118.700 0.148 0.000 2.508 143 N HA 0.065 4.805 4.740 -0.000 0.000 0.253 143 N C 0.624 176.218 175.510 0.141 0.000 1.145 143 N CA 0.019 53.153 53.050 0.140 0.000 0.973 143 N CB 0.415 38.984 38.487 0.136 0.000 1.305 143 N HN 0.570 nan 8.380 nan 0.000 0.506 144 K N 2.332 122.729 120.400 -0.004 0.000 2.127 144 K HA -0.195 4.124 4.320 -0.000 0.000 0.208 144 K C 1.235 177.836 176.600 0.001 0.000 1.047 144 K CA 1.296 57.549 56.287 -0.057 0.000 0.927 144 K CB 0.173 32.605 32.500 -0.114 0.000 0.716 144 K HN 0.535 nan 8.250 nan 0.000 0.450 145 K N 0.799 121.195 120.400 -0.006 0.000 2.031 145 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 145 K C 2.180 178.759 176.600 -0.034 0.000 1.049 145 K CA 0.786 57.065 56.287 -0.013 0.000 0.939 145 K CB -0.025 32.461 32.500 -0.023 0.000 0.717 145 K HN 0.204 nan 8.250 nan 0.000 0.438 146 E N -0.284 119.858 120.200 -0.097 0.000 2.085 146 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 146 E C 1.032 177.385 176.600 -0.412 0.000 0.994 146 E CA 1.231 57.448 56.400 -0.304 0.000 0.801 146 E CB 0.020 29.446 29.700 -0.456 0.000 0.743 146 E HN 0.385 nan 8.360 nan 0.000 0.453 147 W N 0.920 122.245 121.300 0.041 0.000 3.388 147 W HA 0.161 4.821 4.660 -0.000 0.000 0.324 147 W C 0.596 177.225 176.519 0.183 0.000 1.250 147 W CA -0.645 56.768 57.345 0.112 0.000 1.809 147 W CB 0.430 29.933 29.460 0.072 0.000 1.083 147 W HN -0.180 nan 8.180 nan 0.000 0.685 148 S N 0.911 116.764 115.700 0.255 0.000 2.632 148 S HA 0.268 4.738 4.470 -0.000 0.000 0.267 148 S C -1.971 172.778 174.600 0.247 0.000 1.276 148 S CA -1.155 57.221 58.200 0.294 0.000 0.998 148 S CB 0.488 63.787 63.200 0.165 0.000 0.953 148 S HN -0.262 nan 8.310 nan 0.000 0.547 149 P HA 0.141 nan 4.420 nan 0.000 0.271 149 P C -0.481 176.922 177.300 0.172 0.000 1.233 149 P CA -0.635 62.581 63.100 0.193 0.000 0.789 149 P CB 0.290 32.137 31.700 0.244 0.000 0.951 150 L N 1.868 123.174 121.223 0.138 0.000 2.525 150 L HA 0.000 4.340 4.340 -0.000 0.000 0.278 150 L C 0.592 177.680 176.870 0.364 0.000 1.218 150 L CA 1.152 56.089 54.840 0.161 0.000 0.878 150 L CB -0.451 41.600 42.059 -0.012 0.000 1.127 150 L HN 0.248 nan 8.230 nan 0.000 0.492 151 K N 3.277 123.876 120.400 0.331 0.000 2.156 151 K HA 0.797 5.117 4.320 -0.000 0.000 0.250 151 K C -0.980 175.798 176.600 0.298 0.000 0.955 151 K CA -0.825 55.645 56.287 0.305 0.000 0.855 151 K CB 1.668 34.279 32.500 0.184 0.000 1.101 151 K HN 0.689 nan 8.250 nan 0.000 0.434 152 A N 2.367 125.226 122.820 0.065 0.000 2.355 152 A HA 0.402 4.722 4.320 -0.000 0.000 0.317 152 A C -0.520 177.004 177.584 -0.100 0.000 1.094 152 A CA -0.851 51.072 52.037 -0.189 0.000 0.764 152 A CB 0.833 19.326 19.000 -0.845 0.000 1.230 152 A HN 0.637 nan 8.150 nan 0.000 0.448 153 R N 1.342 121.789 120.500 -0.088 0.000 2.486 153 R HA 0.159 4.499 4.340 -0.000 0.000 0.303 153 R C -0.575 175.808 176.300 0.139 0.000 0.958 153 R CA 0.284 56.402 56.100 0.031 0.000 1.077 153 R CB -0.004 30.300 30.300 0.007 0.000 0.921 153 R HN 0.443 nan 8.270 nan 0.000 0.406 154 V N 3.635 123.668 119.914 0.200 0.000 2.532 154 V HA 0.362 4.482 4.120 -0.000 0.000 0.295 154 V C 0.257 176.504 176.094 0.255 0.000 1.041 154 V CA -0.460 61.985 62.300 0.242 0.000 0.926 154 V CB 1.869 33.766 31.823 0.123 0.000 0.992 154 V HN 0.726 nan 8.190 nan 0.000 0.457 155 E N 1.029 121.362 120.200 0.221 0.000 2.375 155 E HA 0.507 4.857 4.350 -0.000 0.000 0.280 155 E C -1.485 175.146 176.600 0.053 0.000 0.972 155 E CA -0.650 55.753 56.400 0.005 0.000 0.782 155 E CB 2.618 32.125 29.700 -0.322 0.000 1.229 155 E HN 0.647 nan 8.360 nan 0.000 0.439 156 T N 1.501 116.067 114.554 0.019 0.000 2.841 156 T HA 0.334 4.684 4.350 -0.000 0.000 0.283 156 T C -1.560 173.185 174.700 0.074 0.000 1.000 156 T CA -0.452 61.693 62.100 0.075 0.000 0.977 156 T CB 0.572 69.438 68.868 -0.002 0.000 0.979 156 T HN 0.367 nan 8.240 nan 0.000 0.446 157 Y N 3.273 123.604 120.300 0.052 0.000 2.555 157 Y HA 0.315 4.865 4.550 -0.000 0.000 0.326 157 Y C 0.517 176.422 175.900 0.008 0.000 0.984 157 Y CA -0.727 57.373 58.100 0.001 0.000 1.298 157 Y CB 0.245 38.690 38.460 -0.026 0.000 1.094 157 Y HN 0.731 nan 8.280 nan 0.000 0.500 158 K N 4.231 124.451 120.400 -0.300 0.000 3.071 158 K HA -0.288 4.032 4.320 -0.000 0.000 0.262 158 K C 0.910 177.488 176.600 -0.037 0.000 0.977 158 K CA 1.004 57.164 56.287 -0.210 0.000 0.721 158 K CB -1.579 30.749 32.500 -0.286 0.000 1.293 158 K HN 1.176 nan 8.250 nan 0.000 0.475 159 G N -0.617 108.122 108.800 -0.101 0.000 2.491 159 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.203 159 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.203 159 G C 0.065 174.722 174.900 -0.405 0.000 1.052 159 G CA -0.158 44.742 45.100 -0.334 0.000 0.675 159 G HN 0.140 nan 8.290 nan 0.000 0.504 160 L N 2.480 123.703 121.223 -0.000 0.000 2.410 160 L HA 0.426 4.766 4.340 -0.000 0.000 0.273 160 L C 0.659 177.562 176.870 0.056 0.000 1.144 160 L CA -0.144 54.737 54.840 0.068 0.000 0.863 160 L CB 0.795 42.990 42.059 0.226 0.000 1.140 160 L HN 0.193 nan 8.230 nan 0.000 0.463 161 I N 3.448 123.965 120.570 -0.088 0.000 2.365 161 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 161 I C -0.445 175.594 176.117 -0.130 0.000 1.004 161 I CA -0.010 61.267 61.300 -0.038 0.000 1.311 161 I CB 0.794 38.757 38.000 -0.062 0.000 1.401 161 I HN 0.353 nan 8.210 nan 0.000 0.491 162 F N 3.874 123.879 119.950 0.092 0.000 2.576 162 F HA 0.770 5.297 4.527 -0.000 0.000 0.313 162 F C 0.116 176.116 175.800 0.333 0.000 1.078 162 F CA -0.459 57.661 58.000 0.200 0.000 0.921 162 F CB 2.085 41.200 39.000 0.191 0.000 1.232 162 F HN 0.462 nan 8.300 nan 0.000 0.459 163 A N 2.341 125.451 122.820 0.484 0.000 2.566 163 A HA 0.800 5.120 4.320 -0.000 0.000 0.292 163 A C -1.765 175.625 177.584 -0.322 0.000 1.112 163 A CA -0.775 51.343 52.037 0.134 0.000 0.707 163 A CB 2.163 21.067 19.000 -0.161 0.000 1.302 163 A HN 0.848 nan 8.150 nan 0.000 0.409 164 N N -0.599 117.635 118.700 -0.776 0.000 2.554 164 N HA 0.291 5.031 4.740 -0.000 0.000 0.271 164 N C -0.489 174.659 175.510 -0.604 0.000 1.081 164 N CA -0.560 51.928 53.050 -0.936 0.000 0.994 164 N CB 0.840 38.201 38.487 -1.876 0.000 1.641 164 N HN 0.645 nan 8.380 nan 0.000 0.511 165 W N 0.836 121.993 121.300 -0.240 0.000 2.467 165 W HA 0.077 4.737 4.660 -0.000 0.000 0.275 165 W C 0.628 177.079 176.519 -0.113 0.000 1.239 165 W CA -0.159 57.107 57.345 -0.133 0.000 1.266 165 W CB 0.253 29.666 29.460 -0.078 0.000 1.112 165 W HN 0.465 nan 8.180 nan 0.000 0.576 166 D N 1.240 121.685 120.400 0.074 0.000 2.338 166 D HA -0.027 4.613 4.640 -0.000 0.000 0.255 166 D C 1.163 177.480 176.300 0.028 0.000 1.237 166 D CA 0.212 54.271 54.000 0.099 0.000 0.883 166 D CB 0.844 41.763 40.800 0.198 0.000 1.087 166 D HN 0.397 nan 8.370 nan 0.000 0.485 167 E N 2.341 122.570 120.200 0.048 0.000 2.401 167 E HA -0.157 4.193 4.350 -0.000 0.000 0.199 167 E C 0.671 177.264 176.600 -0.011 0.000 1.023 167 E CA 0.863 57.275 56.400 0.020 0.000 0.859 167 E CB 0.026 29.744 29.700 0.031 0.000 0.780 167 E HN 0.253 nan 8.360 nan 0.000 0.523 168 N N 0.617 119.311 118.700 -0.010 0.000 2.236 168 N HA 0.155 4.895 4.740 -0.000 0.000 0.196 168 N C -0.089 175.203 175.510 -0.363 0.000 1.114 168 N CA 0.493 53.480 53.050 -0.106 0.000 0.859 168 N CB 0.596 39.079 38.487 -0.006 0.000 0.982 168 N HN 0.228 nan 8.380 nan 0.000 0.493 169 A N 1.203 123.876 122.820 -0.246 0.000 2.483 169 A HA 0.239 4.559 4.320 -0.000 0.000 0.238 169 A C 0.959 178.237 177.584 -0.511 0.000 1.070 169 A CA -0.396 51.346 52.037 -0.493 0.000 0.770 169 A CB 0.204 19.148 19.000 -0.093 0.000 1.008 169 A HN 0.085 nan 8.150 nan 0.000 0.497 170 V N 1.463 120.933 119.914 -0.740 0.000 2.788 170 V HA 0.095 4.215 4.120 -0.000 0.000 0.307 170 V C 0.745 176.920 176.094 0.134 0.000 1.069 170 V CA -0.386 61.763 62.300 -0.252 0.000 1.173 170 V CB -0.070 31.655 31.823 -0.162 0.000 0.925 170 V HN 0.985 nan 8.190 nan 0.000 0.492 171 D N 2.044 122.496 120.400 0.087 0.000 2.914 171 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 171 D C 0.788 177.087 176.300 -0.001 0.000 1.104 171 D CA 0.830 54.878 54.000 0.079 0.000 0.769 171 D CB 0.587 41.386 40.800 -0.003 0.000 1.156 171 D HN 0.794 nan 8.370 nan 0.000 0.511 172 L N 3.415 124.386 121.223 -0.420 0.000 2.056 172 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 172 L C 1.716 178.386 176.870 -0.333 0.000 1.078 172 L CA 1.746 56.052 54.840 -0.890 0.000 0.749 172 L CB -0.523 40.703 42.059 -1.387 0.000 0.901 172 L HN 0.406 nan 8.230 nan 0.000 0.433 173 D N -0.722 119.569 120.400 -0.182 0.000 2.097 173 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 173 D C 2.072 178.381 176.300 0.014 0.000 0.989 173 D CA 1.929 55.899 54.000 -0.049 0.000 0.827 173 D CB -0.453 40.342 40.800 -0.007 0.000 0.966 173 D HN 0.390 nan 8.370 nan 0.000 0.456 174 T N 0.060 114.631 114.554 0.028 0.000 2.580 174 T HA -0.273 4.077 4.350 -0.000 0.000 0.265 174 T C 1.714 176.522 174.700 0.179 0.000 1.063 174 T CA 1.558 63.697 62.100 0.066 0.000 1.170 174 T CB -0.995 67.889 68.868 0.027 0.000 0.863 174 T HN 0.179 nan 8.240 nan 0.000 0.418 175 Y N 2.155 122.538 120.300 0.138 0.000 1.997 175 Y HA -0.285 4.265 4.550 -0.000 0.000 0.265 175 Y C 2.241 178.361 175.900 0.367 0.000 1.193 175 Y CA 1.493 59.805 58.100 0.352 0.000 1.106 175 Y CB -0.754 37.937 38.460 0.384 0.000 0.940 175 Y HN 0.119 nan 8.280 nan 0.000 0.494 176 L N -0.324 121.016 121.223 0.195 0.000 2.081 176 L HA -0.203 4.136 4.340 -0.000 0.000 0.212 176 L C 2.036 178.956 176.870 0.083 0.000 1.080 176 L CA 1.174 55.982 54.840 -0.054 0.000 0.754 176 L CB -1.745 40.188 42.059 -0.210 0.000 0.893 176 L HN 0.704 nan 8.230 nan 0.000 0.433 177 G N 1.035 109.915 108.800 0.133 0.000 2.582 177 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.300 177 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.300 177 G C 0.407 175.393 174.900 0.142 0.000 1.300 177 G CA 0.770 45.961 45.100 0.152 0.000 0.959 177 G HN 0.543 nan 8.290 nan 0.000 0.548 178 E N 0.849 121.159 120.200 0.183 0.000 2.482 178 E HA 0.446 4.796 4.350 -0.000 0.000 0.200 178 E C 1.981 178.717 176.600 0.228 0.000 1.147 178 E CA 1.433 57.937 56.400 0.174 0.000 0.912 178 E CB -0.659 29.124 29.700 0.138 0.000 0.938 178 E HN 1.031 nan 8.360 nan 0.000 0.519 179 A N 1.288 124.247 122.820 0.232 0.000 2.021 179 A HA -0.096 4.223 4.320 -0.000 0.000 0.216 179 A C 1.795 179.471 177.584 0.154 0.000 1.163 179 A CA 0.716 52.904 52.037 0.253 0.000 0.676 179 A CB -0.137 18.925 19.000 0.102 0.000 0.818 179 A HN 0.159 nan 8.150 nan 0.000 0.453 180 K N -1.028 119.381 120.400 0.014 0.000 2.089 180 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 180 K C 1.625 178.256 176.600 0.050 0.000 1.048 180 K CA 1.774 58.012 56.287 -0.082 0.000 0.926 180 K CB -0.496 32.041 32.500 0.061 0.000 0.714 180 K HN 0.491 nan 8.250 nan 0.000 0.448 181 F N 0.798 120.692 119.950 -0.094 0.000 2.063 181 F HA -0.324 4.203 4.527 -0.000 0.000 0.298 181 F C 1.820 177.277 175.800 -0.572 0.000 1.105 181 F CA 1.740 59.554 58.000 -0.311 0.000 1.215 181 F CB -0.273 38.444 39.000 -0.473 0.000 0.972 181 F HN 0.031 nan 8.300 nan 0.000 0.483 182 Y N -0.730 119.483 120.300 -0.145 0.000 2.475 182 Y HA -0.017 4.533 4.550 -0.000 0.000 0.289 182 Y C 2.245 178.003 175.900 -0.237 0.000 1.121 182 Y CA 0.795 58.643 58.100 -0.420 0.000 1.257 182 Y CB -0.692 37.743 38.460 -0.042 0.000 1.026 182 Y HN 0.086 nan 8.280 nan 0.000 0.555 183 M N -0.569 119.100 119.600 0.114 0.000 2.254 183 M HA -0.139 4.341 4.480 -0.000 0.000 0.265 183 M C 1.049 177.439 176.300 0.150 0.000 1.066 183 M CA 1.246 56.693 55.300 0.244 0.000 1.123 183 M CB -0.260 32.406 32.600 0.110 0.000 1.388 183 M HN 0.072 nan 8.290 nan 0.000 0.425 184 D N 0.352 120.765 120.400 0.021 0.000 2.265 184 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 184 D C 1.655 177.994 176.300 0.065 0.000 0.977 184 D CA 1.209 55.218 54.000 0.014 0.000 0.871 184 D CB -0.496 40.237 40.800 -0.112 0.000 0.925 184 D HN 0.578 nan 8.370 nan 0.000 0.485 185 H N -0.801 118.276 119.070 0.012 0.000 2.456 185 H HA -0.018 4.538 4.556 -0.000 0.000 0.296 185 H C 2.070 177.523 175.328 0.208 0.000 1.079 185 H CA 0.684 56.765 56.048 0.055 0.000 1.322 185 H CB 0.240 30.056 29.762 0.091 0.000 1.388 185 H HN 0.114 nan 8.280 nan 0.000 0.538 186 M N -0.133 119.679 119.600 0.354 0.000 2.730 186 M HA 0.061 4.541 4.480 -0.000 0.000 0.258 186 M C 1.158 177.568 176.300 0.184 0.000 1.279 186 M CA 0.663 56.166 55.300 0.340 0.000 1.183 186 M CB 0.684 33.470 32.600 0.310 0.000 1.291 186 M HN 0.157 nan 8.290 nan 0.000 0.518 187 L N -0.635 120.669 121.223 0.134 0.000 2.416 187 L HA 0.058 4.398 4.340 -0.000 0.000 0.216 187 L C 0.691 177.595 176.870 0.057 0.000 1.098 187 L CA 0.505 55.403 54.840 0.097 0.000 0.840 187 L CB 0.179 42.319 42.059 0.134 0.000 0.981 187 L HN 0.166 nan 8.230 nan 0.000 0.462 188 D N 0.004 120.426 120.400 0.037 0.000 2.804 188 D HA 0.076 4.716 4.640 -0.000 0.000 0.308 188 D C 0.827 177.100 176.300 -0.044 0.000 1.371 188 D CA -0.080 53.911 54.000 -0.016 0.000 0.823 188 D CB 0.495 41.276 40.800 -0.033 0.000 1.126 188 D HN 0.240 nan 8.370 nan 0.000 0.467 189 R N -1.042 119.432 120.500 -0.044 0.000 2.480 189 R HA 0.274 4.614 4.340 -0.000 0.000 0.277 189 R C 0.078 176.321 176.300 -0.095 0.000 1.008 189 R CA -0.261 55.777 56.100 -0.103 0.000 1.090 189 R CB 0.338 30.535 30.300 -0.172 0.000 1.234 189 R HN -0.100 nan 8.270 nan 0.000 0.549 190 T N -0.108 114.411 114.554 -0.058 0.000 2.957 190 T HA 0.007 4.357 4.350 -0.000 0.000 0.336 190 T C -0.037 174.641 174.700 -0.038 0.000 1.462 190 T CA -0.580 61.494 62.100 -0.044 0.000 1.073 190 T CB 1.885 70.747 68.868 -0.010 0.000 1.319 190 T HN 0.202 nan 8.240 nan 0.000 0.485 191 E N 2.806 122.984 120.200 -0.038 0.000 2.130 191 E HA -0.061 4.289 4.350 -0.000 0.000 0.196 191 E C 1.663 178.245 176.600 -0.030 0.000 0.998 191 E CA 2.343 58.721 56.400 -0.037 0.000 0.806 191 E CB -0.245 29.434 29.700 -0.033 0.000 0.738 191 E HN 0.645 nan 8.360 nan 0.000 0.459 192 A N -0.402 122.407 122.820 -0.018 0.000 2.278 192 A HA 0.512 4.832 4.320 -0.000 0.000 0.212 192 A C 1.275 178.856 177.584 -0.005 0.000 1.213 192 A CA 0.777 52.807 52.037 -0.010 0.000 0.840 192 A CB -0.905 18.095 19.000 -0.001 0.000 0.866 192 A HN 0.518 nan 8.150 nan 0.000 0.489 193 G N -0.881 107.914 108.800 -0.008 0.000 2.569 193 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.259 193 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.259 193 G C 0.170 175.085 174.900 0.026 0.000 1.263 193 G CA 0.433 45.536 45.100 0.005 0.000 0.928 193 G HN 1.669 nan 8.290 nan 0.000 0.572 194 T N -0.049 114.541 114.554 0.060 0.000 2.952 194 T HA 0.584 4.934 4.350 -0.000 0.000 0.305 194 T C -0.527 174.218 174.700 0.076 0.000 1.064 194 T CA 0.568 62.695 62.100 0.046 0.000 1.008 194 T CB 1.476 70.376 68.868 0.054 0.000 1.078 194 T HN 1.260 nan 8.240 nan 0.000 0.459 195 E N 3.124 123.297 120.200 -0.044 0.000 2.207 195 E HA 0.718 5.068 4.350 -0.000 0.000 0.270 195 E C -0.697 175.712 176.600 -0.319 0.000 0.927 195 E CA -1.338 55.013 56.400 -0.082 0.000 0.799 195 E CB 1.958 31.642 29.700 -0.028 0.000 1.172 195 E HN 0.682 nan 8.360 nan 0.000 0.404 196 A N 4.775 127.306 122.820 -0.481 0.000 2.269 196 A HA 0.342 4.662 4.320 -0.000 0.000 0.302 196 A C 0.324 177.802 177.584 -0.176 0.000 1.266 196 A CA -0.753 51.034 52.037 -0.415 0.000 0.894 196 A CB -0.148 18.486 19.000 -0.611 0.000 1.147 196 A HN 0.673 nan 8.150 nan 0.000 0.537 197 I N 4.550 125.071 120.570 -0.082 0.000 2.752 197 I HA 0.056 4.226 4.170 -0.000 0.000 0.289 197 I C -1.586 174.519 176.117 -0.019 0.000 1.197 197 I CA -0.861 60.423 61.300 -0.027 0.000 1.432 197 I CB 0.311 38.323 38.000 0.021 0.000 1.359 197 I HN 0.494 nan 8.210 nan 0.000 0.571 198 P HA 0.286 nan 4.420 nan 0.000 0.275 198 P C -0.094 177.208 177.300 0.004 0.000 1.228 198 P CA 0.180 63.263 63.100 -0.029 0.000 0.786 198 P CB 1.177 32.860 31.700 -0.029 0.000 0.927 199 G N 0.129 108.930 108.800 0.001 0.000 3.069 199 G HA2 0.072 4.032 3.960 -0.000 0.000 0.686 199 G HA3 0.072 4.032 3.960 -0.000 0.000 0.686 199 G C -1.456 173.491 174.900 0.079 0.000 1.161 199 G CA -0.824 44.292 45.100 0.027 0.000 0.804 199 G HN 0.445 nan 8.290 nan 0.000 0.608 200 V N 3.791 123.744 119.914 0.065 0.000 2.376 200 V HA 0.482 4.602 4.120 -0.000 0.000 0.287 200 V C 0.653 176.782 176.094 0.058 0.000 1.015 200 V CA -0.556 61.819 62.300 0.125 0.000 0.834 200 V CB 1.536 33.422 31.823 0.105 0.000 1.001 200 V HN 0.958 nan 8.190 nan 0.000 0.428 201 Q N 4.392 124.281 119.800 0.147 0.000 2.327 201 Q HA 0.396 4.736 4.340 -0.000 0.000 0.254 201 Q C -0.760 175.368 176.000 0.212 0.000 0.952 201 Q CA -0.086 55.824 55.803 0.178 0.000 0.884 201 Q CB 0.891 29.779 28.738 0.250 0.000 1.224 201 Q HN 0.625 nan 8.270 nan 0.000 0.422 202 K N 4.308 124.809 120.400 0.170 0.000 2.471 202 K HA 0.427 4.747 4.320 -0.000 0.000 0.252 202 K C -1.508 175.345 176.600 0.422 0.000 0.938 202 K CA -0.508 55.830 56.287 0.084 0.000 0.796 202 K CB 1.341 33.588 32.500 -0.421 0.000 1.161 202 K HN 0.615 nan 8.250 nan 0.000 0.425 203 W N 0.145 121.513 121.300 0.114 0.000 3.047 203 W HA 0.699 5.359 4.660 -0.000 0.000 0.341 203 W C -1.519 175.117 176.519 0.194 0.000 1.225 203 W CA -1.171 56.253 57.345 0.132 0.000 1.150 203 W CB 0.509 30.038 29.460 0.116 0.000 1.470 203 W HN 0.065 nan 8.180 nan 0.000 0.578 204 V N 2.732 122.833 119.914 0.312 0.000 2.581 204 V HA 0.574 4.694 4.120 -0.000 0.000 0.303 204 V C -0.691 175.536 176.094 0.222 0.000 1.041 204 V CA -1.097 61.315 62.300 0.187 0.000 0.907 204 V CB 1.562 33.479 31.823 0.157 0.000 0.994 204 V HN 0.618 nan 8.190 nan 0.000 0.442 205 I N 6.045 126.722 120.570 0.178 0.000 2.576 205 I HA 0.377 4.547 4.170 -0.000 0.000 0.279 205 I C -2.548 173.679 176.117 0.184 0.000 1.114 205 I CA -1.937 59.501 61.300 0.230 0.000 1.076 205 I CB 2.713 40.884 38.000 0.284 0.000 1.212 205 I HN 0.474 nan 8.210 nan 0.000 0.472 206 P HA 0.157 nan 4.420 nan 0.000 0.268 206 P C -0.734 176.635 177.300 0.115 0.000 1.485 206 P CA 0.134 63.295 63.100 0.103 0.000 1.102 206 P CB -0.181 31.558 31.700 0.066 0.000 1.501 207 C N 1.961 121.341 119.300 0.134 0.000 3.303 207 C HA 0.442 4.902 4.460 -0.000 0.000 0.340 207 C C -0.600 174.501 174.990 0.185 0.000 1.274 207 C CA -1.087 58.027 59.018 0.161 0.000 1.234 207 C CB 1.259 29.098 27.740 0.165 0.000 1.532 207 C HN 0.465 nan 8.230 nan 0.000 0.483 208 N N 2.100 120.985 118.700 0.308 0.000 2.492 208 N HA 0.063 4.803 4.740 -0.000 0.000 0.260 208 N C 1.388 176.890 175.510 -0.013 0.000 1.215 208 N CA 0.464 53.601 53.050 0.144 0.000 0.923 208 N CB 0.751 39.268 38.487 0.051 0.000 1.092 208 N HN 1.024 nan 8.380 nan 0.000 0.448 209 W N 4.817 126.084 121.300 -0.054 0.000 2.342 209 W HA -0.156 4.504 4.660 -0.000 0.000 0.297 209 W C 0.965 177.293 176.519 -0.318 0.000 1.213 209 W CA 0.460 57.715 57.345 -0.151 0.000 1.251 209 W CB -0.564 28.904 29.460 0.012 0.000 1.136 209 W HN 0.519 nan 8.180 nan 0.000 0.526 210 K N 0.397 120.084 120.400 -1.189 0.000 2.063 210 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 210 K C 1.980 178.147 176.600 -0.721 0.000 1.048 210 K CA 2.185 57.738 56.287 -1.223 0.000 0.928 210 K CB -0.791 30.837 32.500 -1.453 0.000 0.713 210 K HN 0.074 nan 8.250 nan 0.000 0.442 211 F N 0.960 120.605 119.950 -0.508 0.000 2.091 211 F HA -0.308 4.219 4.527 -0.000 0.000 0.299 211 F C 2.585 177.708 175.800 -1.128 0.000 1.103 211 F CA 1.138 58.725 58.000 -0.688 0.000 1.228 211 F CB -0.385 38.134 39.000 -0.801 0.000 0.984 211 F HN 0.092 nan 8.300 nan 0.000 0.477 212 A N 0.116 122.193 122.820 -1.238 0.000 1.858 212 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 212 A C 2.327 179.112 177.584 -1.333 0.000 1.190 212 A CA 1.705 52.589 52.037 -1.921 0.000 0.617 212 A CB -1.391 16.293 19.000 -2.193 0.000 0.827 212 A HN 0.318 nan 8.150 nan 0.000 0.443 213 A N -0.832 121.359 122.820 -1.048 0.000 2.076 213 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 213 A C 2.026 179.524 177.584 -0.143 0.000 1.160 213 A CA 1.800 53.545 52.037 -0.486 0.000 0.653 213 A CB -0.368 18.540 19.000 -0.155 0.000 0.801 213 A HN 0.653 nan 8.150 nan 0.000 0.455 214 E N -0.692 119.374 120.200 -0.222 0.000 2.045 214 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 214 E C -0.010 176.602 176.600 0.020 0.000 0.968 214 E CA 0.682 56.996 56.400 -0.143 0.000 0.813 214 E CB -0.108 29.438 29.700 -0.257 0.000 0.780 214 E HN 0.588 nan 8.360 nan 0.000 0.455 215 Q N -0.530 119.303 119.800 0.054 0.000 0.461 215 Q HA -0.264 4.076 4.340 -0.000 0.000 0.354 215 Q C 0.669 176.913 176.000 0.406 0.000 1.083 215 Q CA 1.248 57.148 55.803 0.161 0.000 0.268 215 Q CB -1.641 27.144 28.738 0.079 0.000 5.584 215 Q HN 0.284 nan 8.270 nan 0.000 0.327 216 F N -0.417 119.650 119.950 0.195 0.000 2.380 216 F HA 0.336 4.863 4.527 -0.000 0.000 0.295 216 F C 1.662 177.593 175.800 0.219 0.000 1.292 216 F CA -1.405 56.850 58.000 0.426 0.000 1.248 216 F CB -1.282 38.162 39.000 0.740 0.000 1.338 216 F HN 1.127 nan 8.300 nan 0.000 0.524 217 C N -0.426 119.086 119.300 0.352 0.000 2.977 217 C HA -0.093 4.367 4.460 -0.000 0.000 0.252 217 C C 0.986 175.957 174.990 -0.031 0.000 1.310 217 C CA 0.001 59.113 59.018 0.157 0.000 2.393 217 C CB -3.184 24.620 27.740 0.106 0.000 1.512 217 C HN 1.026 nan 8.230 nan 0.000 0.453 218 S N -0.933 114.782 115.700 0.026 0.000 2.524 218 S HA 0.109 4.579 4.470 -0.000 0.000 0.215 218 S C 0.415 175.001 174.600 -0.024 0.000 0.986 218 S CA 0.482 58.645 58.200 -0.062 0.000 0.911 218 S CB -0.102 63.086 63.200 -0.019 0.000 0.805 218 S HN 0.924 nan 8.310 nan 0.000 0.501 219 D N 3.261 123.695 120.400 0.057 0.000 2.551 219 D HA 0.017 4.657 4.640 -0.000 0.000 0.248 219 D C 0.564 176.881 176.300 0.028 0.000 1.238 219 D CA 0.151 54.217 54.000 0.111 0.000 1.236 219 D CB -0.318 40.588 40.800 0.177 0.000 1.133 219 D HN 0.132 nan 8.370 nan 0.000 0.504 227 S N 1.198 116.931 115.700 0.055 0.000 3.006 227 S HA 0.569 5.039 4.470 -0.000 0.000 0.225 227 S C 0.579 175.255 174.600 0.127 0.000 1.097 227 S CA 0.225 58.456 58.200 0.051 0.000 1.260 227 S CB 0.445 63.641 63.200 -0.006 0.000 1.085 227 S HN 0.687 nan 8.310 nan 0.000 0.568 228 H N -0.746 118.291 119.070 -0.054 0.000 3.025 228 H HA -0.091 4.465 4.556 -0.000 0.000 0.255 228 H C 0.432 175.661 175.328 -0.165 0.000 1.246 228 H CA 0.716 56.702 56.048 -0.104 0.000 1.107 228 H CB -1.533 28.229 29.762 -0.000 0.000 1.259 228 H HN 0.524 nan 8.280 nan 0.000 0.351 229 L N 0.695 121.910 121.223 -0.013 0.000 2.005 229 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 229 L C 2.419 179.229 176.870 -0.101 0.000 1.072 229 L CA 2.478 57.296 54.840 -0.037 0.000 0.744 229 L CB -0.479 41.564 42.059 -0.026 0.000 0.895 229 L HN 0.358 nan 8.230 nan 0.000 0.433 230 S N -0.503 115.125 115.700 -0.120 0.000 2.387 230 S HA -0.173 4.297 4.470 -0.000 0.000 0.230 230 S C 2.125 176.597 174.600 -0.213 0.000 1.035 230 S CA 1.014 59.132 58.200 -0.136 0.000 1.014 230 S CB -1.930 61.197 63.200 -0.121 0.000 0.836 230 S HN 0.579 nan 8.310 nan 0.000 0.466 231 G N 2.156 110.730 108.800 -0.377 0.000 2.491 231 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 231 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 231 G C 1.379 175.941 174.900 -0.564 0.000 1.180 231 G CA 1.117 45.768 45.100 -0.748 0.000 0.774 231 G HN 0.554 nan 8.290 nan 0.000 0.562 232 I N 0.519 120.873 120.570 -0.359 0.000 2.099 232 I HA -0.169 4.001 4.170 -0.000 0.000 0.239 232 I C 2.591 178.710 176.117 0.003 0.000 1.066 232 I CA 0.892 62.199 61.300 0.011 0.000 1.324 232 I CB -0.213 37.826 38.000 0.065 0.000 1.037 232 I HN 0.095 nan 8.210 nan 0.000 0.401 233 L N 0.464 121.663 121.223 -0.041 0.000 2.551 233 L HA -0.195 4.145 4.340 -0.000 0.000 0.230 233 L C 2.639 179.496 176.870 -0.020 0.000 1.163 233 L CA 0.818 55.643 54.840 -0.024 0.000 0.826 233 L CB -0.882 41.156 42.059 -0.035 0.000 0.943 233 L HN 0.316 nan 8.230 nan 0.000 0.452 234 A N 0.348 123.149 122.820 -0.030 0.000 1.897 234 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 234 A C 2.205 179.802 177.584 0.021 0.000 1.181 234 A CA 1.500 53.529 52.037 -0.013 0.000 0.620 234 A CB -0.736 18.250 19.000 -0.024 0.000 0.821 234 A HN 0.409 nan 8.150 nan 0.000 0.443 235 G N -0.752 108.080 108.800 0.053 0.000 3.088 235 G HA2 0.414 4.374 3.960 -0.000 0.000 0.212 235 G HA3 0.414 4.374 3.960 -0.000 0.000 0.212 235 G C 0.214 175.138 174.900 0.040 0.000 1.173 235 G CA -0.169 44.966 45.100 0.059 0.000 0.779 235 G HN 0.373 nan 8.290 nan 0.000 0.540 236 L N 0.207 121.447 121.223 0.029 0.000 2.322 236 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 236 L C -1.845 175.032 176.870 0.011 0.000 1.014 236 L CA -2.068 52.784 54.840 0.020 0.000 0.815 236 L CB 2.244 44.315 42.059 0.019 0.000 1.247 236 L HN -0.196 nan 8.230 nan 0.000 0.421 237 P HA 0.150 nan 4.420 nan 0.000 0.257 237 P C 0.278 177.580 177.300 0.003 0.000 1.325 237 P CA -0.317 62.786 63.100 0.005 0.000 0.850 237 P CB 0.271 31.974 31.700 0.006 0.000 1.324 249 T N 0.128 114.708 114.554 0.042 0.000 2.913 249 T HA 0.483 4.833 4.350 -0.000 0.000 0.287 249 T C 0.508 175.303 174.700 0.160 0.000 1.008 249 T CA -0.646 61.470 62.100 0.027 0.000 1.067 249 T CB 1.439 70.183 68.868 -0.207 0.000 0.996 249 T HN 0.128 nan 8.240 nan 0.000 0.513 250 V N 1.665 121.661 119.914 0.137 0.000 2.649 250 V HA 0.714 4.834 4.120 -0.000 0.000 0.292 250 V C 0.883 177.138 176.094 0.269 0.000 1.055 250 V CA 0.089 62.499 62.300 0.182 0.000 1.023 250 V CB 0.693 32.596 31.823 0.134 0.000 0.992 250 V HN 1.231 nan 8.190 nan 0.000 0.480 251 G N 3.799 112.727 108.800 0.215 0.000 2.349 251 G HA2 0.557 4.517 3.960 -0.000 0.000 0.294 251 G HA3 0.557 4.517 3.960 -0.000 0.000 0.294 251 G C -1.543 173.305 174.900 -0.086 0.000 1.380 251 G CA -0.704 44.472 45.100 0.127 0.000 0.811 251 G HN 0.787 nan 8.290 nan 0.000 0.519 252 K N -1.130 119.040 120.400 -0.383 0.000 2.433 252 K HA 0.814 5.134 4.320 -0.000 0.000 0.252 252 K C -1.137 175.005 176.600 -0.765 0.000 1.015 252 K CA -0.973 55.015 56.287 -0.498 0.000 0.860 252 K CB 2.620 34.887 32.500 -0.389 0.000 1.359 252 K HN 0.645 nan 8.250 nan 0.000 0.452 253 Q N 0.975 120.503 119.800 -0.454 0.000 2.331 253 Q HA 0.251 4.591 4.340 -0.000 0.000 0.272 253 Q C -2.093 173.815 176.000 -0.153 0.000 1.062 253 Q CA -0.912 54.686 55.803 -0.340 0.000 0.806 253 Q CB 1.906 30.499 28.738 -0.242 0.000 1.312 253 Q HN 0.709 nan 8.270 nan 0.000 0.431 254 Y N 3.610 123.753 120.300 -0.263 0.000 2.352 254 Y HA 0.567 5.117 4.550 -0.000 0.000 0.339 254 Y C -1.529 174.241 175.900 -0.218 0.000 0.992 254 Y CA -0.860 57.094 58.100 -0.243 0.000 1.100 254 Y CB 1.258 39.418 38.460 -0.500 0.000 1.192 254 Y HN 0.585 nan 8.280 nan 0.000 0.458 255 R N 5.162 125.275 120.500 -0.645 0.000 2.437 255 R HA 0.734 5.074 4.340 -0.000 0.000 0.310 255 R C -1.104 174.728 176.300 -0.779 0.000 0.955 255 R CA -0.459 55.214 56.100 -0.711 0.000 0.851 255 R CB 1.311 31.424 30.300 -0.311 0.000 1.161 255 R HN 0.980 nan 8.270 nan 0.000 0.446 256 A N 2.920 125.252 122.820 -0.813 0.000 2.498 256 A HA 0.159 4.479 4.320 -0.000 0.000 0.239 256 A C 1.022 178.513 177.584 -0.154 0.000 1.068 256 A CA 0.014 51.831 52.037 -0.367 0.000 0.766 256 A CB 0.472 19.314 19.000 -0.264 0.000 1.003 256 A HN 0.956 nan 8.150 nan 0.000 0.497 257 S N 0.979 116.700 115.700 0.035 0.000 2.348 257 S HA -0.126 4.344 4.470 -0.000 0.000 0.221 257 S C 1.448 176.113 174.600 0.108 0.000 1.033 257 S CA 1.442 59.693 58.200 0.086 0.000 1.010 257 S CB -0.272 63.020 63.200 0.154 0.000 0.891 257 S HN 0.908 nan 8.310 nan 0.000 0.442 258 W N 1.418 122.650 121.300 -0.113 0.000 2.916 258 W HA 0.232 4.892 4.660 -0.000 0.000 0.289 258 W C 1.561 177.832 176.519 -0.414 0.000 1.036 258 W CA 0.527 57.781 57.345 -0.152 0.000 1.776 258 W CB -0.297 29.117 29.460 -0.076 0.000 1.176 258 W HN 0.316 nan 8.180 nan 0.000 0.534 259 G N -0.078 108.054 108.800 -1.113 0.000 3.518 259 G HA2 0.316 4.276 3.960 -0.000 0.000 0.273 259 G HA3 0.316 4.276 3.960 -0.000 0.000 0.273 259 G C 0.840 174.363 174.900 -2.293 0.000 1.199 259 G CA 0.258 43.990 45.100 -2.279 0.000 0.899 259 G HN 0.722 nan 8.290 nan 0.000 0.533 260 G N 0.328 108.278 108.800 -1.417 0.000 2.155 260 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.257 260 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.257 260 G C 0.562 175.122 174.900 -0.566 0.000 0.983 260 G CA 0.329 44.897 45.100 -0.888 0.000 0.676 260 G HN 0.655 nan 8.290 nan 0.000 0.528 261 H N 0.246 119.119 119.070 -0.329 0.000 2.430 261 H HA 0.600 5.156 4.556 -0.000 0.000 0.359 261 H C 0.960 176.089 175.328 -0.331 0.000 1.672 261 H CA 0.486 56.412 56.048 -0.202 0.000 1.445 261 H CB 0.586 30.278 29.762 -0.116 0.000 1.642 261 H HN 1.252 nan 8.280 nan 0.000 0.593 262 G N -1.168 107.532 108.800 -0.167 0.000 2.402 262 G HA2 0.350 4.310 3.960 -0.000 0.000 0.301 262 G HA3 0.350 4.310 3.960 -0.000 0.000 0.301 262 G C -1.407 173.383 174.900 -0.184 0.000 1.615 262 G CA -0.175 44.712 45.100 -0.356 0.000 0.889 262 G HN 0.642 nan 8.290 nan 0.000 0.647 263 S N -0.827 114.812 115.700 -0.102 0.000 2.569 263 S HA 0.924 5.394 4.470 -0.000 0.000 0.280 263 S C -0.134 174.477 174.600 0.019 0.000 1.111 263 S CA 0.235 58.437 58.200 0.002 0.000 0.887 263 S CB 1.889 65.172 63.200 0.138 0.000 1.095 263 S HN 2.096 nan 8.310 nan 0.000 0.476 264 G N 2.647 111.479 108.800 0.052 0.000 2.732 264 G HA2 0.702 4.662 3.960 -0.000 0.000 0.295 264 G HA3 0.702 4.662 3.960 -0.000 0.000 0.295 264 G C -1.235 173.578 174.900 -0.145 0.000 1.456 264 G CA -0.711 44.288 45.100 -0.169 0.000 1.050 264 G HN 0.763 nan 8.290 nan 0.000 0.525 265 F N 0.531 120.349 119.950 -0.220 0.000 2.726 265 F HA 0.817 5.344 4.527 -0.000 0.000 0.324 265 F C -0.749 174.826 175.800 -0.375 0.000 1.140 265 F CA -1.851 55.990 58.000 -0.265 0.000 0.964 265 F CB 0.947 39.954 39.000 0.012 0.000 1.399 265 F HN 0.417 nan 8.300 nan 0.000 0.491 266 Y N -0.648 119.855 120.300 0.338 0.000 3.042 266 Y HA 0.766 5.316 4.550 -0.000 0.000 0.339 266 Y C -0.344 175.717 175.900 0.268 0.000 1.299 266 Y CA -1.054 57.171 58.100 0.208 0.000 1.059 266 Y CB 1.796 40.333 38.460 0.128 0.000 1.361 266 Y HN 0.469 nan 8.280 nan 0.000 0.755 267 V N -1.159 118.992 119.914 0.394 0.000 2.795 267 V HA 0.626 4.746 4.120 -0.000 0.000 0.272 267 V C -0.662 175.540 176.094 0.179 0.000 1.130 267 V CA -0.838 61.621 62.300 0.266 0.000 0.931 267 V CB 0.504 32.476 31.823 0.249 0.000 1.062 267 V HN 1.161 nan 8.190 nan 0.000 0.476 268 G N 3.248 112.140 108.800 0.154 0.000 2.977 268 G HA2 0.488 4.448 3.960 -0.000 0.000 0.686 268 G HA3 0.488 4.448 3.960 -0.000 0.000 0.686 268 G C -0.502 174.445 174.900 0.078 0.000 1.088 268 G CA 0.881 46.045 45.100 0.106 0.000 0.845 268 G HN 3.176 nan 8.290 nan 0.000 0.565 269 D N 0.400 120.839 120.400 0.065 0.000 3.168 269 D HA 0.051 4.691 4.640 -0.000 0.000 0.308 269 D C -1.673 174.646 176.300 0.032 0.000 1.189 269 D CA 0.217 54.238 54.000 0.035 0.000 0.696 269 D CB -1.191 39.612 40.800 0.006 0.000 1.318 269 D HN 0.673 nan 8.370 nan 0.000 0.482 270 P HA -0.019 nan 4.420 nan 0.000 0.217 270 P C 0.903 178.211 177.300 0.015 0.000 1.235 270 P CA 1.222 64.332 63.100 0.016 0.000 0.726 270 P CB -0.496 31.210 31.700 0.010 0.000 0.664 271 N N -1.836 116.871 118.700 0.012 0.000 3.184 271 N HA -0.278 4.462 4.740 -0.000 0.000 0.180 271 N C 1.308 176.830 175.510 0.019 0.000 0.185 271 N CA 2.194 55.258 53.050 0.024 0.000 2.294 271 N CB -1.654 36.835 38.487 0.003 0.000 1.188 271 N HN 0.261 nan 8.380 nan 0.000 0.409 272 L N 0.543 121.772 121.223 0.010 0.000 1.944 272 L HA -0.029 4.311 4.340 -0.000 0.000 0.218 272 L C 2.393 179.246 176.870 -0.029 0.000 1.075 272 L CA 2.798 57.615 54.840 -0.038 0.000 0.767 272 L CB -1.429 40.600 42.059 -0.050 0.000 0.890 272 L HN 0.675 nan 8.230 nan 0.000 0.434 273 M N -0.540 119.062 119.600 0.003 0.000 4.105 273 M HA -0.132 4.348 4.480 -0.000 0.000 0.314 273 M C 0.544 176.848 176.300 0.008 0.000 1.079 273 M CA 1.252 56.557 55.300 0.010 0.000 1.058 273 M CB -0.432 32.185 32.600 0.029 0.000 1.101 273 M HN 0.191 nan 8.290 nan 0.000 0.698 274 L N 0.391 121.626 121.223 0.019 0.000 2.605 274 L HA -0.103 4.237 4.340 -0.000 0.000 0.296 274 L C 0.874 177.768 176.870 0.040 0.000 1.255 274 L CA 0.403 55.259 54.840 0.027 0.000 0.879 274 L CB -0.458 41.617 42.059 0.027 0.000 1.124 274 L HN 0.870 nan 8.230 nan 0.000 0.507 275 A N 2.343 125.200 122.820 0.061 0.000 1.303 275 A HA -0.221 4.099 4.320 -0.000 0.000 0.208 275 A C 1.091 178.765 177.584 0.150 0.000 0.554 275 A CA 0.855 52.963 52.037 0.119 0.000 1.109 275 A CB -1.698 17.382 19.000 0.133 0.000 1.465 275 A HN 0.619 nan 8.150 nan 0.000 0.722 276 I N -0.792 119.815 120.570 0.062 0.000 2.726 276 I HA 0.051 4.221 4.170 -0.000 0.000 0.243 276 I C 2.363 178.463 176.117 -0.029 0.000 1.082 276 I CA 1.409 62.702 61.300 -0.012 0.000 1.447 276 I CB -0.204 37.694 38.000 -0.171 0.000 1.250 276 I HN 0.443 nan 8.210 nan 0.000 0.453 277 M N 0.404 119.956 119.600 -0.081 0.000 2.461 277 M HA 0.320 4.800 4.480 -0.000 0.000 0.255 277 M C 0.903 177.143 176.300 -0.101 0.000 1.137 277 M CA 0.416 55.639 55.300 -0.129 0.000 1.086 277 M CB -0.481 31.980 32.600 -0.232 0.000 1.356 277 M HN 0.336 nan 8.290 nan 0.000 0.487 278 G N 1.320 110.089 108.800 -0.051 0.000 2.814 278 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.677 278 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.677 278 G C -2.204 172.678 174.900 -0.030 0.000 1.429 278 G CA -0.704 44.378 45.100 -0.030 0.000 0.868 278 G HN 0.071 nan 8.290 nan 0.000 0.553 279 P HA -0.275 nan 4.420 nan 0.000 0.224 279 P C 1.877 179.185 177.300 0.014 0.000 1.130 279 P CA 2.724 65.829 63.100 0.007 0.000 0.976 279 P CB -0.133 31.571 31.700 0.007 0.000 0.781 280 K N -0.971 119.427 120.400 -0.003 0.000 2.057 280 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 280 K C 1.839 178.454 176.600 0.024 0.000 1.050 280 K CA 1.460 57.755 56.287 0.013 0.000 0.935 280 K CB -0.657 31.836 32.500 -0.010 0.000 0.715 280 K HN 0.064 nan 8.250 nan 0.000 0.439 281 V N 1.235 121.104 119.914 -0.075 0.000 3.305 281 V HA -0.104 4.016 4.120 -0.000 0.000 0.269 281 V C 1.501 177.630 176.094 0.058 0.000 1.157 281 V CA 1.542 63.743 62.300 -0.165 0.000 1.157 281 V CB -0.684 30.837 31.823 -0.504 0.000 0.772 281 V HN 0.323 nan 8.190 nan 0.000 0.498 282 T N -1.228 113.381 114.554 0.092 0.000 3.056 282 T HA -0.002 4.348 4.350 -0.000 0.000 0.241 282 T C 2.105 176.920 174.700 0.192 0.000 1.006 282 T CA 0.932 63.129 62.100 0.162 0.000 1.115 282 T CB 0.079 68.995 68.868 0.081 0.000 0.939 282 T HN 0.444 nan 8.240 nan 0.000 0.462 283 S N 1.580 117.363 115.700 0.138 0.000 2.368 283 S HA -0.212 4.258 4.470 -0.000 0.000 0.226 283 S C 1.717 176.412 174.600 0.159 0.000 1.044 283 S CA 1.748 60.021 58.200 0.121 0.000 1.062 283 S CB -0.682 62.578 63.200 0.101 0.000 0.931 283 S HN 0.607 nan 8.310 nan 0.000 0.440 284 Y N 0.440 120.803 120.300 0.105 0.000 2.207 284 Y HA -0.177 4.373 4.550 -0.000 0.000 0.287 284 Y C 2.230 178.232 175.900 0.170 0.000 1.156 284 Y CA 1.671 59.851 58.100 0.133 0.000 1.182 284 Y CB -0.230 38.333 38.460 0.171 0.000 0.979 284 Y HN 0.411 nan 8.280 nan 0.000 0.521 285 W N 0.728 122.120 121.300 0.154 0.000 2.476 285 W HA -0.115 4.545 4.660 -0.000 0.000 0.281 285 W C 1.818 178.328 176.519 -0.015 0.000 1.230 285 W CA 2.231 59.638 57.345 0.102 0.000 1.287 285 W CB -0.091 29.469 29.460 0.166 0.000 1.108 285 W HN 0.319 nan 8.180 nan 0.000 0.567 286 T N -2.887 111.733 114.554 0.109 0.000 2.999 286 T HA 0.057 4.407 4.350 -0.000 0.000 0.247 286 T C 0.638 175.319 174.700 -0.032 0.000 1.012 286 T CA 0.206 62.332 62.100 0.042 0.000 1.048 286 T CB 0.440 69.385 68.868 0.129 0.000 1.020 286 T HN 0.221 nan 8.240 nan 0.000 0.478 287 E N 0.571 120.755 120.200 -0.027 0.000 2.428 287 E HA 0.580 4.930 4.350 -0.000 0.000 0.259 287 E C 0.290 176.850 176.600 -0.066 0.000 0.930 287 E CA -0.947 55.430 56.400 -0.038 0.000 0.823 287 E CB 1.066 30.765 29.700 -0.002 0.000 1.403 287 E HN 0.503 nan 8.360 nan 0.000 0.415 288 G N 0.384 109.154 108.800 -0.051 0.000 2.888 288 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.441 288 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.441 288 G C -2.087 172.756 174.900 -0.094 0.000 1.461 288 G CA -0.267 44.800 45.100 -0.054 0.000 0.897 288 G HN 0.498 nan 8.290 nan 0.000 0.547 289 P HA -0.056 nan 4.420 nan 0.000 0.213 289 P C 2.374 179.587 177.300 -0.144 0.000 1.170 289 P CA 3.024 66.072 63.100 -0.087 0.000 0.898 289 P CB -0.214 31.456 31.700 -0.051 0.000 0.787 290 A N -0.626 122.080 122.820 -0.191 0.000 2.032 290 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 290 A C 2.449 179.791 177.584 -0.403 0.000 1.165 290 A CA 2.470 54.326 52.037 -0.300 0.000 0.645 290 A CB -1.531 17.201 19.000 -0.447 0.000 0.807 290 A HN 0.318 nan 8.150 nan 0.000 0.453 291 S N -1.494 113.970 115.700 -0.394 0.000 2.468 291 S HA 0.021 4.491 4.470 -0.000 0.000 0.226 291 S C 1.640 176.073 174.600 -0.278 0.000 1.051 291 S CA 0.799 58.761 58.200 -0.397 0.000 0.943 291 S CB -0.179 62.811 63.200 -0.350 0.000 0.810 291 S HN 0.636 nan 8.310 nan 0.000 0.509 292 E N 1.383 121.463 120.200 -0.200 0.000 2.002 292 E HA 0.047 4.397 4.350 -0.000 0.000 0.196 292 E C 0.688 177.202 176.600 -0.143 0.000 0.974 292 E CA 0.570 56.882 56.400 -0.147 0.000 0.853 292 E CB -0.135 29.501 29.700 -0.106 0.000 0.808 292 E HN 0.368 nan 8.360 nan 0.000 0.492 293 K N -0.027 120.302 120.400 -0.119 0.000 2.177 293 K HA -0.080 4.240 4.320 -0.000 0.000 0.246 293 K C 1.012 177.530 176.600 -0.136 0.000 1.077 293 K CA 0.389 56.611 56.287 -0.108 0.000 0.786 293 K CB -0.079 32.371 32.500 -0.083 0.000 1.073 293 K HN 0.381 nan 8.250 nan 0.000 0.530 294 A N 0.238 122.990 122.820 -0.114 0.000 3.081 294 A HA -0.416 3.904 4.320 -0.000 0.000 0.370 294 A C 2.005 179.500 177.584 -0.149 0.000 2.103 294 A CA 3.334 55.299 52.037 -0.120 0.000 0.973 294 A CB -2.355 16.571 19.000 -0.123 0.000 1.467 294 A HN 1.012 nan 8.150 nan 0.000 0.647 295 A N -1.668 121.029 122.820 -0.205 0.000 2.171 295 A HA -0.146 4.174 4.320 -0.000 0.000 0.223 295 A C 1.350 178.818 177.584 -0.193 0.000 1.166 295 A CA 2.567 54.461 52.037 -0.239 0.000 0.668 295 A CB -0.569 18.235 19.000 -0.327 0.000 0.807 295 A HN 0.700 nan 8.150 nan 0.000 0.475 296 E N -0.503 119.604 120.200 -0.154 0.000 2.403 296 E HA 0.067 4.417 4.350 -0.000 0.000 0.187 296 E C 1.580 178.115 176.600 -0.109 0.000 1.073 296 E CA 0.083 56.407 56.400 -0.126 0.000 0.888 296 E CB -0.233 29.404 29.700 -0.105 0.000 1.035 296 E HN 0.704 nan 8.360 nan 0.000 0.471 297 R N -0.370 120.061 120.500 -0.115 0.000 2.148 297 R HA 0.084 4.424 4.340 -0.000 0.000 0.223 297 R C 1.801 178.031 176.300 -0.116 0.000 1.088 297 R CA 0.549 56.587 56.100 -0.102 0.000 0.985 297 R CB -0.139 30.103 30.300 -0.098 0.000 0.880 297 R HN 0.155 nan 8.270 nan 0.000 0.451 298 L N 0.365 121.501 121.223 -0.145 0.000 2.456 298 L HA 0.079 4.419 4.340 -0.000 0.000 0.224 298 L C 1.062 177.839 176.870 -0.156 0.000 1.148 298 L CA 0.616 55.348 54.840 -0.181 0.000 0.825 298 L CB -0.424 41.501 42.059 -0.223 0.000 0.937 298 L HN 0.452 nan 8.230 nan 0.000 0.450 299 G N 0.497 109.225 108.800 -0.120 0.000 2.273 299 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.280 299 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.280 299 G C 0.168 175.014 174.900 -0.090 0.000 1.047 299 G CA 0.550 45.596 45.100 -0.091 0.000 0.869 299 G HN 0.389 nan 8.290 nan 0.000 0.502 300 S N -1.501 114.135 115.700 -0.108 0.000 2.584 300 S HA 0.487 4.957 4.470 -0.000 0.000 0.282 300 S C 0.285 174.821 174.600 -0.107 0.000 1.138 300 S CA -0.020 58.119 58.200 -0.101 0.000 0.987 300 S CB 1.028 64.155 63.200 -0.122 0.000 1.137 300 S HN 1.251 nan 8.310 nan 0.000 0.457 301 V N 4.818 124.686 119.914 -0.077 0.000 3.484 301 V HA 0.191 4.311 4.120 -0.000 0.000 0.304 301 V C 1.743 177.801 176.094 -0.059 0.000 1.116 301 V CA 1.252 63.510 62.300 -0.069 0.000 1.187 301 V CB 0.169 31.968 31.823 -0.040 0.000 1.062 301 V HN 1.295 nan 8.190 nan 0.000 0.489 302 E N -0.276 119.898 120.200 -0.044 0.000 4.429 302 E HA -0.400 3.950 4.350 -0.000 0.000 0.185 302 E C 1.667 178.231 176.600 -0.060 0.000 1.272 302 E CA 1.800 58.197 56.400 -0.004 0.000 2.340 302 E CB -1.307 28.430 29.700 0.062 0.000 1.837 302 E HN 0.458 nan 8.360 nan 0.000 0.389 303 R N 1.150 121.584 120.500 -0.111 0.000 2.211 303 R HA -0.075 4.265 4.340 -0.000 0.000 0.240 303 R C 2.197 178.278 176.300 -0.364 0.000 1.144 303 R CA 1.878 57.815 56.100 -0.273 0.000 0.992 303 R CB -0.413 29.728 30.300 -0.264 0.000 0.869 303 R HN 0.585 nan 8.270 nan 0.000 0.462 304 G N -1.956 106.689 108.800 -0.259 0.000 2.720 304 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.204 304 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.204 304 G C 1.028 175.734 174.900 -0.324 0.000 1.113 304 G CA 0.480 45.396 45.100 -0.307 0.000 0.805 304 G HN 0.408 nan 8.290 nan 0.000 0.536 305 S N -0.815 114.772 115.700 -0.187 0.000 2.651 305 S HA 0.240 4.710 4.470 -0.000 0.000 0.259 305 S C 0.950 175.554 174.600 0.007 0.000 1.073 305 S CA -0.297 57.826 58.200 -0.128 0.000 1.090 305 S CB 0.346 63.469 63.200 -0.129 0.000 1.042 305 S HN 0.146 nan 8.310 nan 0.000 0.581 306 K N 1.470 121.885 120.400 0.024 0.000 2.811 306 K HA 0.450 4.770 4.320 -0.000 0.000 0.217 306 K C 0.562 177.242 176.600 0.133 0.000 1.115 306 K CA -0.134 56.205 56.287 0.086 0.000 1.179 306 K CB 0.125 32.671 32.500 0.077 0.000 0.994 306 K HN 0.258 nan 8.250 nan 0.000 0.464 307 L N -0.002 121.320 121.223 0.165 0.000 2.130 307 L HA 0.047 4.387 4.340 -0.000 0.000 0.200 307 L C 0.367 177.397 176.870 0.268 0.000 1.075 307 L CA 0.897 55.854 54.840 0.196 0.000 0.768 307 L CB 0.035 42.212 42.059 0.197 0.000 0.933 307 L HN 0.370 nan 8.230 nan 0.000 0.451 308 M N -2.188 117.584 119.600 0.286 0.000 7.319 308 M HA -0.239 4.241 4.480 -0.000 0.000 0.127 308 M C -0.042 176.322 176.300 0.106 0.000 0.480 308 M CA 1.179 56.591 55.300 0.187 0.000 1.311 308 M CB -1.178 31.566 32.600 0.239 0.000 0.421 308 M HN 0.041 nan 8.290 nan 0.000 0.549 309 V N -0.105 119.886 119.914 0.127 0.000 2.963 309 V HA 0.632 4.752 4.120 -0.000 0.000 0.306 309 V C 0.006 176.125 176.094 0.042 0.000 1.077 309 V CA 0.064 62.373 62.300 0.015 0.000 1.124 309 V CB 1.381 33.207 31.823 0.005 0.000 0.987 309 V HN 0.728 nan 8.190 nan 0.000 0.487 310 E N 1.315 121.518 120.200 0.005 0.000 2.321 310 E HA 0.285 4.635 4.350 -0.000 0.000 0.278 310 E C -0.145 176.487 176.600 0.053 0.000 0.902 310 E CA -0.677 55.784 56.400 0.103 0.000 0.758 310 E CB 1.826 31.663 29.700 0.229 0.000 1.213 310 E HN 0.989 nan 8.360 nan 0.000 0.426 311 H N 4.720 123.755 119.070 -0.059 0.000 2.878 311 H HA 0.197 4.753 4.556 -0.000 0.000 0.320 311 H C 0.091 175.356 175.328 -0.104 0.000 1.070 311 H CA 0.869 56.850 56.048 -0.112 0.000 1.415 311 H CB 0.416 30.099 29.762 -0.131 0.000 1.612 311 H HN 0.496 nan 8.280 nan 0.000 0.776 312 M N 0.984 120.252 119.600 -0.554 0.000 4.047 312 M HA -0.149 4.331 4.480 -0.000 0.000 0.157 312 M C -1.499 174.337 176.300 -0.773 0.000 1.532 312 M CA 0.464 55.393 55.300 -0.618 0.000 1.097 312 M CB -0.946 31.247 32.600 -0.679 0.000 1.346 312 M HN 0.660 nan 8.290 nan 0.000 0.190 313 T N 4.098 118.382 114.554 -0.450 0.000 3.143 313 T HA 0.606 4.956 4.350 -0.000 0.000 0.312 313 T C -0.426 174.293 174.700 0.032 0.000 0.986 313 T CA -0.590 61.409 62.100 -0.168 0.000 1.024 313 T CB 1.942 70.781 68.868 -0.048 0.000 1.030 313 T HN 0.428 nan 8.240 nan 0.000 0.448 314 V N 4.429 124.437 119.914 0.157 0.000 2.311 314 V HA 0.394 4.514 4.120 -0.000 0.000 0.275 314 V C 0.194 176.563 176.094 0.458 0.000 1.022 314 V CA -0.991 61.479 62.300 0.283 0.000 0.830 314 V CB 0.208 32.190 31.823 0.266 0.000 1.012 314 V HN 0.879 nan 8.190 nan 0.000 0.452 315 F N 9.294 129.514 119.950 0.449 0.000 2.642 315 F HA 0.115 4.642 4.527 -0.000 0.000 0.371 315 F C -1.285 174.760 175.800 0.410 0.000 1.120 315 F CA -0.671 57.509 58.000 0.300 0.000 1.331 315 F CB 1.017 40.054 39.000 0.062 0.000 1.044 315 F HN 0.386 nan 8.300 nan 0.000 0.594 316 P HA 0.071 nan 4.420 nan 0.000 0.236 316 P C 0.237 177.409 177.300 -0.213 0.000 1.174 316 P CA 0.827 63.285 63.100 -1.069 0.000 0.840 316 P CB 0.401 31.168 31.700 -1.555 0.000 0.947 317 T N -4.189 110.352 114.554 -0.021 0.000 3.288 317 T HA 0.234 4.584 4.350 -0.000 0.000 0.293 317 T C 0.027 174.852 174.700 0.209 0.000 1.008 317 T CA -0.349 61.873 62.100 0.204 0.000 0.929 317 T CB -1.319 67.615 68.868 0.111 0.000 1.152 317 T HN -0.006 nan 8.240 nan 0.000 0.517 318 C N 2.165 121.598 119.300 0.222 0.000 2.273 318 C HA 0.805 5.265 4.460 -0.000 0.000 0.328 318 C C -0.234 174.899 174.990 0.238 0.000 1.275 318 C CA 0.013 59.153 59.018 0.202 0.000 1.704 318 C CB -0.460 27.496 27.740 0.360 0.000 2.326 318 C HN 0.540 nan 8.230 nan 0.000 0.517 319 S N 4.590 120.380 115.700 0.150 0.000 2.548 319 S HA 0.886 5.356 4.470 -0.000 0.000 0.276 319 S C -1.055 173.703 174.600 0.263 0.000 1.129 319 S CA -0.388 57.917 58.200 0.175 0.000 0.931 319 S CB 1.158 64.545 63.200 0.313 0.000 1.068 319 S HN 0.800 nan 8.310 nan 0.000 0.480 320 F N 0.304 120.353 119.950 0.165 0.000 2.668 320 F HA 0.706 5.233 4.527 -0.000 0.000 0.309 320 F C -1.671 174.194 175.800 0.108 0.000 1.117 320 F CA -1.354 56.706 58.000 0.100 0.000 0.951 320 F CB 1.091 40.105 39.000 0.024 0.000 1.323 320 F HN 0.287 nan 8.300 nan 0.000 0.451 321 L N 2.953 124.301 121.223 0.208 0.000 2.502 321 L HA 0.392 4.731 4.340 -0.000 0.000 0.247 321 L C -2.582 174.303 176.870 0.026 0.000 1.180 321 L CA -1.874 52.977 54.840 0.018 0.000 0.956 321 L CB 1.089 43.025 42.059 -0.204 0.000 1.282 321 L HN 0.287 nan 8.230 nan 0.000 0.470 322 P HA 0.035 nan 4.420 nan 0.000 0.261 322 P C 0.941 178.142 177.300 -0.165 0.000 1.183 322 P CA 1.154 64.354 63.100 0.167 0.000 0.761 322 P CB 1.371 33.300 31.700 0.382 0.000 0.785 323 G N 2.974 111.389 108.800 -0.642 0.000 2.397 323 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.211 323 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.211 323 G C 0.773 175.339 174.900 -0.556 0.000 1.077 323 G CA 0.251 44.611 45.100 -1.233 0.000 0.649 323 G HN 0.453 nan 8.290 nan 0.000 0.511 324 I N 0.076 120.460 120.570 -0.310 0.000 2.512 324 I HA 0.309 4.479 4.170 -0.000 0.000 0.247 324 I C 1.393 177.522 176.117 0.021 0.000 1.094 324 I CA 1.236 62.423 61.300 -0.188 0.000 1.427 324 I CB -0.007 37.751 38.000 -0.404 0.000 1.149 324 I HN 0.281 nan 8.210 nan 0.000 0.438 325 N N -0.180 118.505 118.700 -0.025 0.000 2.990 325 N HA -0.117 4.623 4.740 -0.000 0.000 0.247 325 N C -0.347 175.171 175.510 0.013 0.000 1.096 325 N CA 0.910 53.973 53.050 0.021 0.000 0.797 325 N CB -1.604 36.866 38.487 -0.028 0.000 1.114 325 N HN 0.428 nan 8.380 nan 0.000 0.549 326 T N -1.893 112.663 114.554 0.004 0.000 2.907 326 T HA 0.568 4.918 4.350 -0.000 0.000 0.298 326 T C 0.532 175.209 174.700 -0.039 0.000 1.017 326 T CA -0.589 61.510 62.100 -0.001 0.000 1.118 326 T CB 2.087 71.013 68.868 0.098 0.000 0.948 326 T HN -0.003 nan 8.240 nan 0.000 0.531 327 V N 3.048 122.780 119.914 -0.303 0.000 2.715 327 V HA 0.719 4.839 4.120 -0.000 0.000 0.310 327 V C -0.118 175.671 176.094 -0.510 0.000 1.054 327 V CA -1.094 60.975 62.300 -0.385 0.000 0.928 327 V CB 1.898 33.269 31.823 -0.754 0.000 1.007 327 V HN 0.834 nan 8.190 nan 0.000 0.437 328 R N 1.026 121.295 120.500 -0.386 0.000 2.725 328 R HA 0.699 5.039 4.340 -0.000 0.000 0.277 328 R C -0.727 175.237 176.300 -0.560 0.000 0.987 328 R CA -0.523 55.245 56.100 -0.553 0.000 0.901 328 R CB 2.008 31.702 30.300 -1.011 0.000 1.207 328 R HN 0.759 nan 8.270 nan 0.000 0.463 329 T N 0.739 114.998 114.554 -0.490 0.000 2.907 329 T HA 0.412 4.762 4.350 -0.000 0.000 0.284 329 T C -0.715 173.504 174.700 -0.802 0.000 1.004 329 T CA -0.607 61.141 62.100 -0.587 0.000 1.063 329 T CB 0.556 69.058 68.868 -0.610 0.000 0.992 329 T HN 0.343 nan 8.240 nan 0.000 0.483 330 W N 1.985 123.069 121.300 -0.359 0.000 2.391 330 W HA 0.390 5.050 4.660 -0.000 0.000 0.311 330 W C 0.359 176.619 176.519 -0.432 0.000 1.087 330 W CA -0.839 56.324 57.345 -0.303 0.000 1.209 330 W CB 0.557 29.944 29.460 -0.122 0.000 1.273 330 W HN 0.530 nan 8.180 nan 0.000 0.482 331 H N 3.319 122.344 119.070 -0.074 0.000 2.488 331 H HA 0.303 4.859 4.556 -0.000 0.000 0.322 331 H C -2.203 173.022 175.328 -0.172 0.000 1.078 331 H CA -2.293 53.603 56.048 -0.254 0.000 1.260 331 H CB 1.328 30.773 29.762 -0.528 0.000 1.425 331 H HN -0.004 nan 8.280 nan 0.000 0.471 332 P HA 0.194 nan 4.420 nan 0.000 0.279 332 P C 0.514 177.777 177.300 -0.061 0.000 1.239 332 P CA -0.403 62.657 63.100 -0.067 0.000 0.789 332 P CB 1.693 33.227 31.700 -0.276 0.000 0.933 333 R N 1.729 122.213 120.500 -0.027 0.000 2.151 333 R HA 0.383 4.722 4.340 -0.000 0.000 0.121 333 R C 1.278 177.446 176.300 -0.221 0.000 1.786 333 R CA -0.096 55.953 56.100 -0.085 0.000 1.534 333 R CB -0.909 29.354 30.300 -0.062 0.000 1.290 333 R HN 0.570 nan 8.270 nan 0.000 0.464 334 G N 2.337 111.000 108.800 -0.229 0.000 2.661 334 G HA2 0.030 3.990 3.960 -0.000 0.000 0.272 334 G HA3 0.030 3.990 3.960 -0.000 0.000 0.272 334 G C -1.676 172.804 174.900 -0.701 0.000 1.296 334 G CA -0.539 44.321 45.100 -0.401 0.000 0.998 334 G HN 0.191 nan 8.290 nan 0.000 0.553 335 P HA -0.012 nan 4.420 nan 0.000 0.239 335 P C 0.397 177.677 177.300 -0.033 0.000 1.184 335 P CA 0.742 63.712 63.100 -0.218 0.000 0.760 335 P CB 0.279 31.946 31.700 -0.055 0.000 0.884 336 N N -0.604 118.056 118.700 -0.067 0.000 2.159 336 N HA 0.093 4.833 4.740 -0.000 0.000 0.217 336 N C 0.035 175.566 175.510 0.035 0.000 1.223 336 N CA 0.134 53.194 53.050 0.016 0.000 0.896 336 N CB 1.280 39.764 38.487 -0.004 0.000 1.064 336 N HN 0.321 nan 8.380 nan 0.000 0.518 337 E N -0.141 120.073 120.200 0.024 0.000 2.392 337 E HA 0.520 4.870 4.350 -0.000 0.000 0.279 337 E C -1.874 174.770 176.600 0.074 0.000 0.964 337 E CA -0.618 55.812 56.400 0.050 0.000 0.777 337 E CB 2.380 32.090 29.700 0.017 0.000 1.249 337 E HN -0.214 nan 8.360 nan 0.000 0.449 338 V N 2.172 122.148 119.914 0.103 0.000 2.971 338 V HA 0.437 4.557 4.120 -0.000 0.000 0.309 338 V C -1.406 174.756 176.094 0.112 0.000 1.130 338 V CA -0.468 61.904 62.300 0.120 0.000 0.964 338 V CB 2.222 34.144 31.823 0.164 0.000 1.029 338 V HN 0.788 nan 8.190 nan 0.000 0.427 339 E N 2.443 122.710 120.200 0.111 0.000 2.214 339 E HA 0.620 4.970 4.350 -0.000 0.000 0.274 339 E C -1.421 175.247 176.600 0.113 0.000 0.977 339 E CA -0.632 55.855 56.400 0.144 0.000 0.827 339 E CB 2.286 32.157 29.700 0.286 0.000 1.130 339 E HN 0.478 nan 8.360 nan 0.000 0.394 340 V N 3.182 123.038 119.914 -0.098 0.000 2.313 340 V HA 0.214 4.334 4.120 -0.000 0.000 0.278 340 V C -1.160 174.883 176.094 -0.086 0.000 1.017 340 V CA -0.824 61.252 62.300 -0.372 0.000 0.823 340 V CB 0.170 31.262 31.823 -1.218 0.000 1.010 340 V HN 0.597 nan 8.190 nan 0.000 0.443 341 W N 3.686 124.803 121.300 -0.305 0.000 2.314 341 W HA 0.783 5.443 4.660 -0.000 0.000 0.310 341 W C 0.181 176.617 176.519 -0.138 0.000 1.075 341 W CA -0.956 56.341 57.345 -0.080 0.000 1.253 341 W CB 1.508 31.017 29.460 0.081 0.000 1.238 341 W HN 0.615 nan 8.180 nan 0.000 0.440 342 A N 5.178 128.107 122.820 0.182 0.000 2.393 342 A HA 0.907 5.227 4.320 -0.000 0.000 0.306 342 A C -1.215 176.471 177.584 0.170 0.000 1.050 342 A CA -0.566 51.503 52.037 0.054 0.000 0.724 342 A CB 0.876 19.977 19.000 0.169 0.000 1.248 342 A HN 0.510 nan 8.150 nan 0.000 0.424 343 F N -0.359 119.652 119.950 0.102 0.000 2.835 343 F HA 0.941 5.468 4.527 -0.000 0.000 0.373 343 F C -0.045 175.790 175.800 0.059 0.000 1.209 343 F CA -1.030 57.014 58.000 0.073 0.000 1.082 343 F CB 1.010 40.035 39.000 0.040 0.000 1.472 343 F HN 0.341 nan 8.300 nan 0.000 0.519 344 T N 1.277 116.033 114.554 0.337 0.000 2.893 344 T HA 0.618 4.968 4.350 -0.000 0.000 0.293 344 T C -1.104 173.692 174.700 0.160 0.000 1.027 344 T CA -0.666 61.534 62.100 0.167 0.000 0.988 344 T CB 1.766 70.708 68.868 0.123 0.000 1.043 344 T HN 0.810 nan 8.240 nan 0.000 0.461 345 V N 0.919 120.845 119.914 0.020 0.000 2.555 345 V HA 0.985 5.105 4.120 -0.000 0.000 0.302 345 V C -0.136 175.799 176.094 -0.265 0.000 1.038 345 V CA -0.976 61.256 62.300 -0.113 0.000 0.887 345 V CB 1.140 32.900 31.823 -0.106 0.000 0.991 345 V HN 0.814 nan 8.190 nan 0.000 0.434 346 V N -0.154 119.591 119.914 -0.283 0.000 3.001 346 V HA 0.667 4.787 4.120 -0.000 0.000 0.314 346 V C -0.493 175.477 176.094 -0.207 0.000 1.099 346 V CA -0.707 61.351 62.300 -0.403 0.000 0.989 346 V CB 1.877 33.494 31.823 -0.343 0.000 1.040 346 V HN 0.842 nan 8.190 nan 0.000 0.434 347 D N 2.042 122.353 120.400 -0.148 0.000 2.458 347 D HA 0.330 4.970 4.640 -0.000 0.000 0.243 347 D C 1.126 177.415 176.300 -0.019 0.000 1.146 347 D CA 0.763 54.753 54.000 -0.015 0.000 0.877 347 D CB 1.863 42.728 40.800 0.108 0.000 1.176 347 D HN 0.928 nan 8.370 nan 0.000 0.461 348 A N 2.736 125.554 122.820 -0.004 0.000 2.121 348 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 348 A C 1.253 178.843 177.584 0.009 0.000 1.154 348 A CA 1.208 53.243 52.037 -0.004 0.000 0.679 348 A CB -0.091 18.913 19.000 0.006 0.000 0.795 348 A HN 0.576 nan 8.150 nan 0.000 0.458 349 D N -1.044 119.373 120.400 0.028 0.000 2.398 349 D HA 0.420 5.060 4.640 -0.000 0.000 0.210 349 D C 0.673 177.015 176.300 0.070 0.000 1.094 349 D CA 0.306 54.331 54.000 0.041 0.000 0.839 349 D CB -0.501 40.323 40.800 0.040 0.000 0.963 349 D HN 0.321 nan 8.370 nan 0.000 0.506 350 A N 1.303 124.168 122.820 0.076 0.000 2.555 350 A HA 0.356 4.676 4.320 -0.000 0.000 0.233 350 A C -2.147 175.466 177.584 0.049 0.000 1.060 350 A CA -0.729 51.358 52.037 0.085 0.000 0.759 350 A CB -0.311 18.647 19.000 -0.071 0.000 0.995 350 A HN 0.101 nan 8.150 nan 0.000 0.506 351 P HA 0.070 nan 4.420 nan 0.000 0.268 351 P C 0.310 177.624 177.300 0.022 0.000 1.205 351 P CA -0.158 62.974 63.100 0.052 0.000 0.771 351 P CB 0.482 32.227 31.700 0.074 0.000 0.858 352 D N 2.352 122.765 120.400 0.023 0.000 2.855 352 D HA -0.283 4.357 4.640 -0.000 0.000 0.242 352 D C 1.426 177.737 176.300 0.018 0.000 1.105 352 D CA 2.158 56.168 54.000 0.018 0.000 0.977 352 D CB -0.684 40.127 40.800 0.018 0.000 1.241 352 D HN 0.596 nan 8.370 nan 0.000 0.500 353 D N 0.052 120.463 120.400 0.018 0.000 2.263 353 D HA -0.150 4.490 4.640 -0.000 0.000 0.208 353 D C 2.181 178.485 176.300 0.007 0.000 0.971 353 D CA 0.530 54.538 54.000 0.014 0.000 0.867 353 D CB -0.346 40.463 40.800 0.014 0.000 0.929 353 D HN 0.272 nan 8.370 nan 0.000 0.492 354 I N 0.917 121.486 120.570 -0.002 0.000 2.286 354 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 354 I C 2.622 178.774 176.117 0.058 0.000 1.104 354 I CA 0.965 62.242 61.300 -0.039 0.000 1.397 354 I CB -0.225 37.687 38.000 -0.146 0.000 1.072 354 I HN -0.144 nan 8.210 nan 0.000 0.417 355 K N 0.059 120.494 120.400 0.058 0.000 2.032 355 K HA -0.267 4.053 4.320 -0.000 0.000 0.209 355 K C 2.131 178.803 176.600 0.120 0.000 1.048 355 K CA 1.706 58.053 56.287 0.101 0.000 0.927 355 K CB -0.174 32.341 32.500 0.025 0.000 0.712 355 K HN 0.119 nan 8.250 nan 0.000 0.441 356 E N 1.138 121.375 120.200 0.062 0.000 2.085 356 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 356 E C 1.785 178.413 176.600 0.047 0.000 0.994 356 E CA 1.504 57.932 56.400 0.048 0.000 0.801 356 E CB 0.025 29.740 29.700 0.025 0.000 0.743 356 E HN 0.168 nan 8.360 nan 0.000 0.453 357 E N -0.255 119.954 120.200 0.016 0.000 2.017 357 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 357 E C 2.118 178.692 176.600 -0.043 0.000 0.997 357 E CA 1.057 57.427 56.400 -0.049 0.000 0.804 357 E CB -0.674 28.944 29.700 -0.137 0.000 0.757 357 E HN 0.371 nan 8.360 nan 0.000 0.448 358 F N 1.159 121.086 119.950 -0.039 0.000 2.111 358 F HA -0.301 4.226 4.527 -0.000 0.000 0.300 358 F C 2.776 178.572 175.800 -0.007 0.000 1.088 358 F CA 1.802 59.782 58.000 -0.032 0.000 1.243 358 F CB -0.228 38.746 39.000 -0.044 0.000 0.996 358 F HN 0.019 nan 8.300 nan 0.000 0.483 359 R N 0.443 121.053 120.500 0.184 0.000 2.070 359 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 359 R C 2.410 178.761 176.300 0.085 0.000 1.138 359 R CA 1.773 57.944 56.100 0.118 0.000 0.936 359 R CB -0.191 30.158 30.300 0.082 0.000 0.839 359 R HN 0.220 nan 8.270 nan 0.000 0.429 360 R N -0.145 120.389 120.500 0.056 0.000 2.073 360 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 360 R C 2.467 178.793 176.300 0.044 0.000 1.134 360 R CA 1.713 57.837 56.100 0.040 0.000 0.952 360 R CB -0.387 29.926 30.300 0.021 0.000 0.850 360 R HN 0.222 nan 8.270 nan 0.000 0.433 361 Q N 0.208 120.025 119.800 0.027 0.000 2.046 361 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 361 Q C 2.076 178.120 176.000 0.074 0.000 0.975 361 Q CA 1.858 57.675 55.803 0.023 0.000 0.836 361 Q CB -0.313 28.396 28.738 -0.048 0.000 0.896 361 Q HN 0.209 nan 8.270 nan 0.000 0.428 362 T N 0.943 115.553 114.554 0.093 0.000 2.565 362 T HA -0.228 4.122 4.350 -0.000 0.000 0.265 362 T C 1.630 176.428 174.700 0.164 0.000 1.082 362 T CA 1.997 64.184 62.100 0.145 0.000 1.173 362 T CB -0.533 68.429 68.868 0.157 0.000 0.864 362 T HN 0.465 nan 8.240 nan 0.000 0.425 363 L N 0.690 121.984 121.223 0.118 0.000 2.191 363 L HA 0.111 4.451 4.340 -0.000 0.000 0.212 363 L C 2.280 179.193 176.870 0.071 0.000 1.103 363 L CA 1.722 56.615 54.840 0.088 0.000 0.769 363 L CB -0.700 41.394 42.059 0.058 0.000 0.908 363 L HN 0.054 nan 8.230 nan 0.000 0.438 364 R N 0.043 120.592 120.500 0.082 0.000 2.148 364 R HA -0.084 4.256 4.340 -0.000 0.000 0.223 364 R C 1.829 178.195 176.300 0.110 0.000 1.088 364 R CA 1.634 57.778 56.100 0.072 0.000 0.985 364 R CB -0.113 30.228 30.300 0.068 0.000 0.880 364 R HN 0.764 nan 8.270 nan 0.000 0.451 365 T N -3.681 110.978 114.554 0.176 0.000 3.098 365 T HA 0.121 4.471 4.350 -0.000 0.000 0.246 365 T C 0.984 175.722 174.700 0.063 0.000 0.983 365 T CA -0.143 62.103 62.100 0.243 0.000 1.094 365 T CB -0.056 69.023 68.868 0.351 0.000 1.035 365 T HN 0.060 nan 8.240 nan 0.000 0.456 366 F N 3.358 123.369 119.950 0.101 0.000 2.708 366 F HA 0.520 5.047 4.527 -0.000 0.000 0.300 366 F C 1.209 177.102 175.800 0.156 0.000 1.118 366 F CA -1.099 56.994 58.000 0.154 0.000 1.307 366 F CB 0.284 39.370 39.000 0.142 0.000 0.986 366 F HN 0.296 nan 8.300 nan 0.000 0.522 367 S N -0.275 115.492 115.700 0.111 0.000 2.694 367 S HA 0.641 5.111 4.470 -0.000 0.000 0.278 367 S C 1.603 175.966 174.600 -0.395 0.000 1.152 367 S CA -0.128 58.027 58.200 -0.074 0.000 1.010 367 S CB 1.231 64.383 63.200 -0.081 0.000 1.104 367 S HN 0.112 nan 8.310 nan 0.000 0.547 368 A N 0.216 122.459 122.820 -0.962 0.000 1.972 368 A HA 0.187 4.507 4.320 -0.000 0.000 0.219 368 A C 2.019 179.295 177.584 -0.514 0.000 1.169 368 A CA 1.469 52.798 52.037 -1.179 0.000 0.635 368 A CB -1.634 16.422 19.000 -1.573 0.000 0.810 368 A HN 1.136 nan 8.150 nan 0.000 0.446 369 G N -0.462 108.136 108.800 -0.337 0.000 2.813 369 G HA2 0.350 4.310 3.960 -0.000 0.000 0.209 369 G HA3 0.350 4.310 3.960 -0.000 0.000 0.209 369 G C 0.828 175.648 174.900 -0.132 0.000 1.150 369 G CA 0.487 45.472 45.100 -0.191 0.000 0.785 369 G HN 0.748 nan 8.290 nan 0.000 0.535 370 G N 0.142 108.866 108.800 -0.127 0.000 2.491 370 G HA2 0.280 4.240 3.960 -0.000 0.000 0.238 370 G HA3 0.280 4.240 3.960 -0.000 0.000 0.238 370 G C 1.274 176.144 174.900 -0.050 0.000 1.277 370 G CA 0.258 45.327 45.100 -0.052 0.000 0.851 370 G HN 0.563 nan 8.290 nan 0.000 0.573 371 V N -0.132 119.786 119.914 0.006 0.000 3.078 371 V HA -0.004 4.116 4.120 -0.000 0.000 0.265 371 V C 1.781 177.766 176.094 -0.182 0.000 1.122 371 V CA 1.222 63.481 62.300 -0.067 0.000 1.141 371 V CB -1.009 30.780 31.823 -0.057 0.000 0.735 371 V HN 0.515 nan 8.190 nan 0.000 0.498 372 F N 1.310 121.121 119.950 -0.231 0.000 2.287 372 F HA 0.235 4.762 4.527 -0.000 0.000 0.276 372 F C 2.425 178.135 175.800 -0.151 0.000 1.047 372 F CA 1.183 59.034 58.000 -0.249 0.000 1.194 372 F CB -0.699 37.817 39.000 -0.808 0.000 1.118 372 F HN 0.155 nan 8.300 nan 0.000 0.556 373 E N 0.984 121.088 120.200 -0.159 0.000 2.409 373 E HA -0.218 4.132 4.350 -0.000 0.000 0.198 373 E C 1.959 178.545 176.600 -0.023 0.000 1.024 373 E CA 0.999 57.379 56.400 -0.034 0.000 0.861 373 E CB -0.400 29.340 29.700 0.067 0.000 0.788 373 E HN 0.582 nan 8.360 nan 0.000 0.521 374 Q N -0.232 119.516 119.800 -0.087 0.000 2.291 374 Q HA -0.176 4.164 4.340 -0.000 0.000 0.205 374 Q C 0.694 176.616 176.000 -0.130 0.000 0.970 374 Q CA 1.525 57.261 55.803 -0.113 0.000 0.876 374 Q CB 0.100 28.762 28.738 -0.126 0.000 0.935 374 Q HN 0.227 nan 8.270 nan 0.000 0.455 375 D N 1.225 121.524 120.400 -0.168 0.000 2.259 375 D HA -0.061 4.579 4.640 -0.000 0.000 0.216 375 D C 1.373 177.460 176.300 -0.355 0.000 0.961 375 D CA 0.583 54.429 54.000 -0.258 0.000 0.878 375 D CB -0.169 40.430 40.800 -0.334 0.000 1.009 375 D HN 0.219 nan 8.370 nan 0.000 0.490 376 D N 0.575 120.749 120.400 -0.376 0.000 2.172 376 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 376 D C 1.941 177.604 176.300 -1.062 0.000 0.999 376 D CA 1.337 54.943 54.000 -0.657 0.000 0.856 376 D CB -0.121 40.445 40.800 -0.391 0.000 0.934 376 D HN 0.272 nan 8.370 nan 0.000 0.453 377 G N 0.961 109.451 108.800 -0.517 0.000 2.424 377 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.214 377 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.214 377 G C 1.477 176.278 174.900 -0.165 0.000 1.202 377 G CA 0.255 45.212 45.100 -0.238 0.000 0.793 377 G HN 0.124 nan 8.290 nan 0.000 0.534 378 E N 0.993 121.108 120.200 -0.143 0.000 2.164 378 E HA -0.214 4.136 4.350 -0.000 0.000 0.206 378 E C 2.397 178.915 176.600 -0.136 0.000 1.032 378 E CA 1.329 57.662 56.400 -0.112 0.000 0.832 378 E CB -0.215 29.410 29.700 -0.126 0.000 0.742 378 E HN 0.293 nan 8.360 nan 0.000 0.460 379 N N -0.110 118.439 118.700 -0.253 0.000 2.048 379 N HA -0.140 4.600 4.740 -0.000 0.000 0.193 379 N C 1.593 177.037 175.510 -0.110 0.000 1.061 379 N CA 1.082 53.994 53.050 -0.229 0.000 0.849 379 N CB -0.764 37.518 38.487 -0.342 0.000 1.044 379 N HN 0.268 nan 8.380 nan 0.000 0.429 380 W N 1.545 122.743 121.300 -0.171 0.000 2.296 380 W HA -0.113 4.547 4.660 -0.000 0.000 0.296 380 W C 2.181 178.566 176.519 -0.223 0.000 1.220 380 W CA 0.413 57.590 57.345 -0.279 0.000 1.223 380 W CB -1.512 27.843 29.460 -0.174 0.000 1.139 380 W HN -0.094 nan 8.180 nan 0.000 0.534 381 V N 0.740 120.723 119.914 0.115 0.000 2.287 381 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 381 V C 2.440 178.567 176.094 0.055 0.000 1.053 381 V CA 2.224 64.574 62.300 0.084 0.000 1.027 381 V CB -0.848 31.026 31.823 0.085 0.000 0.646 381 V HN 0.064 nan 8.190 nan 0.000 0.447 382 E N 0.198 120.405 120.200 0.012 0.000 2.038 382 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 382 E C 2.221 178.788 176.600 -0.055 0.000 1.000 382 E CA 1.629 58.023 56.400 -0.010 0.000 0.803 382 E CB -0.453 29.210 29.700 -0.062 0.000 0.750 382 E HN 0.580 nan 8.360 nan 0.000 0.448 383 I N 1.360 121.834 120.570 -0.161 0.000 2.143 383 I HA -0.347 3.823 4.170 -0.000 0.000 0.245 383 I C 2.751 178.742 176.117 -0.210 0.000 1.068 383 I CA 1.490 62.607 61.300 -0.306 0.000 1.326 383 I CB -0.463 37.099 38.000 -0.731 0.000 1.028 383 I HN 0.110 nan 8.210 nan 0.000 0.412 384 Q N -0.364 119.346 119.800 -0.149 0.000 2.079 384 Q HA -0.230 4.110 4.340 -0.000 0.000 0.200 384 Q C 2.289 178.353 176.000 0.105 0.000 0.974 384 Q CA 1.461 57.275 55.803 0.019 0.000 0.840 384 Q CB -0.529 28.249 28.738 0.067 0.000 0.898 384 Q HN 0.565 nan 8.270 nan 0.000 0.430 385 H N 1.176 120.239 119.070 -0.011 0.000 2.319 385 H HA -0.112 4.444 4.556 -0.000 0.000 0.297 385 H C 2.054 177.387 175.328 0.009 0.000 1.097 385 H CA 1.646 57.696 56.048 0.004 0.000 1.285 385 H CB -0.363 29.396 29.762 -0.004 0.000 1.368 385 H HN 0.183 nan 8.280 nan 0.000 0.495 386 I N 0.330 120.974 120.570 0.122 0.000 2.163 386 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 386 I C 2.252 178.423 176.117 0.090 0.000 1.085 386 I CA 1.015 62.340 61.300 0.042 0.000 1.347 386 I CB -0.322 37.676 38.000 -0.003 0.000 1.044 386 I HN 0.137 nan 8.210 nan 0.000 0.408 387 L N 0.594 121.880 121.223 0.104 0.000 2.721 387 L HA -0.121 4.219 4.340 -0.000 0.000 0.241 387 L C 2.125 179.057 176.870 0.104 0.000 1.168 387 L CA 0.115 55.017 54.840 0.104 0.000 0.866 387 L CB -0.588 41.556 42.059 0.140 0.000 0.996 387 L HN 0.160 nan 8.230 nan 0.000 0.451 388 R N 1.041 121.616 120.500 0.124 0.000 2.285 388 R HA 0.041 4.381 4.340 -0.000 0.000 0.213 388 R C 0.845 177.205 176.300 0.099 0.000 1.068 388 R CA 0.158 56.326 56.100 0.113 0.000 1.004 388 R CB -0.649 29.735 30.300 0.140 0.000 0.873 388 R HN 0.260 nan 8.270 nan 0.000 0.467 389 G N -2.126 106.727 108.800 0.088 0.000 2.389 389 G HA2 0.149 4.109 3.960 -0.000 0.000 0.317 389 G HA3 0.149 4.109 3.960 -0.000 0.000 0.317 389 G C 0.072 175.019 174.900 0.078 0.000 1.137 389 G CA -0.395 44.755 45.100 0.083 0.000 0.870 389 G HN 0.345 nan 8.290 nan 0.000 0.496 390 H N 0.756 119.839 119.070 0.022 0.000 2.357 390 H HA 0.004 4.559 4.556 -0.000 0.000 0.301 390 H C 2.120 177.450 175.328 0.004 0.000 1.082 390 H CA 1.740 57.797 56.048 0.015 0.000 1.342 390 H CB 0.434 30.203 29.762 0.010 0.000 1.389 390 H HN 0.323 nan 8.280 nan 0.000 0.511 391 K N 0.051 120.431 120.400 -0.034 0.000 2.186 391 K HA 0.148 4.468 4.320 -0.000 0.000 0.202 391 K C 2.164 178.705 176.600 -0.098 0.000 1.052 391 K CA 0.781 57.019 56.287 -0.081 0.000 0.965 391 K CB -0.177 32.335 32.500 0.021 0.000 0.746 391 K HN 0.379 nan 8.250 nan 0.000 0.457 392 A N 0.973 123.759 122.820 -0.056 0.000 2.178 392 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 392 A C 1.842 179.361 177.584 -0.107 0.000 1.157 392 A CA 1.136 53.143 52.037 -0.049 0.000 0.689 392 A CB -0.181 18.822 19.000 0.005 0.000 0.787 392 A HN 0.166 nan 8.150 nan 0.000 0.465 393 R N -0.804 119.611 120.500 -0.142 0.000 2.472 393 R HA 0.094 4.434 4.340 -0.000 0.000 0.279 393 R C 1.301 177.485 176.300 -0.193 0.000 0.953 393 R CA 0.720 56.731 56.100 -0.147 0.000 1.088 393 R CB 0.407 30.655 30.300 -0.085 0.000 1.197 393 R HN 0.580 nan 8.270 nan 0.000 0.536 394 S N -1.129 114.436 115.700 -0.224 0.000 2.526 394 S HA 0.287 4.757 4.470 -0.000 0.000 0.220 394 S C 0.691 175.200 174.600 -0.151 0.000 1.017 394 S CA -0.431 57.644 58.200 -0.208 0.000 0.930 394 S CB 0.618 63.651 63.200 -0.278 0.000 0.856 394 S HN 0.022 nan 8.310 nan 0.000 0.497 395 R N 2.023 122.423 120.500 -0.167 0.000 2.670 395 R HA 0.542 4.882 4.340 -0.000 0.000 0.289 395 R C -2.890 173.277 176.300 -0.222 0.000 0.965 395 R CA -2.250 53.763 56.100 -0.144 0.000 0.899 395 R CB 1.252 31.493 30.300 -0.098 0.000 1.173 395 R HN 0.196 nan 8.270 nan 0.000 0.456 396 P HA 0.016 nan 4.420 nan 0.000 0.271 396 P C -0.761 176.441 177.300 -0.163 0.000 1.233 396 P CA 0.179 63.164 63.100 -0.190 0.000 0.789 396 P CB 0.532 32.184 31.700 -0.081 0.000 0.951 397 F N -0.185 119.762 119.950 -0.006 0.000 2.399 397 F HA 0.261 4.788 4.527 -0.000 0.000 0.328 397 F C 1.452 177.253 175.800 0.001 0.000 1.084 397 F CA -0.837 57.162 58.000 -0.001 0.000 1.053 397 F CB 0.983 39.985 39.000 0.004 0.000 1.209 397 F HN 0.274 nan 8.300 nan 0.000 0.502 398 N N 1.387 120.233 118.700 0.245 0.000 2.408 398 N HA 0.455 5.195 4.740 -0.000 0.000 0.257 398 N C -0.765 174.815 175.510 0.116 0.000 1.064 398 N CA -0.084 53.045 53.050 0.132 0.000 0.952 398 N CB 0.796 39.340 38.487 0.094 0.000 1.093 398 N HN 0.675 nan 8.380 nan 0.000 0.490 399 A N 3.703 126.590 122.820 0.112 0.000 3.129 399 A HA 0.124 4.444 4.320 -0.000 0.000 0.282 399 A C 0.442 178.085 177.584 0.099 0.000 0.948 399 A CA -0.619 51.489 52.037 0.119 0.000 1.027 399 A CB -0.244 18.862 19.000 0.176 0.000 1.123 399 A HN 0.888 nan 8.150 nan 0.000 0.485 400 E N 0.171 120.413 120.200 0.070 0.000 2.501 400 E HA 0.171 4.521 4.350 -0.000 0.000 0.201 400 E C 0.457 177.089 176.600 0.053 0.000 1.016 400 E CA -0.463 55.970 56.400 0.055 0.000 0.920 400 E CB -0.006 29.716 29.700 0.036 0.000 1.023 400 E HN 0.608 nan 8.360 nan 0.000 0.474 401 M N 1.957 121.592 119.600 0.059 0.000 2.290 401 M HA -0.070 4.410 4.480 -0.000 0.000 0.356 401 M C -0.315 176.017 176.300 0.054 0.000 1.448 401 M CA 0.911 56.246 55.300 0.057 0.000 0.993 401 M CB -0.047 32.592 32.600 0.064 0.000 1.934 401 M HN 0.202 nan 8.290 nan 0.000 0.461 402 S N 3.809 119.538 115.700 0.049 0.000 3.706 402 S HA -0.140 4.330 4.470 -0.000 0.000 0.363 402 S C 0.033 174.656 174.600 0.039 0.000 0.999 402 S CA 0.401 58.628 58.200 0.045 0.000 1.143 402 S CB -1.052 62.181 63.200 0.055 0.000 0.902 402 S HN 0.761 nan 8.310 nan 0.000 0.476 403 M N 1.169 120.791 119.600 0.037 0.000 2.232 403 M HA 0.074 4.554 4.480 -0.000 0.000 0.321 403 M C 0.782 177.098 176.300 0.027 0.000 1.101 403 M CA 0.310 55.631 55.300 0.036 0.000 1.181 403 M CB 0.031 32.653 32.600 0.038 0.000 1.432 403 M HN 0.233 nan 8.290 nan 0.000 0.457 404 D N 1.947 122.361 120.400 0.025 0.000 2.704 404 D HA -0.190 4.450 4.640 -0.000 0.000 0.232 404 D C -0.127 176.183 176.300 0.016 0.000 1.183 404 D CA 1.011 55.020 54.000 0.015 0.000 0.647 404 D CB -0.956 39.847 40.800 0.004 0.000 1.013 404 D HN 0.589 nan 8.370 nan 0.000 0.415 405 Q N -0.928 118.883 119.800 0.019 0.000 2.135 405 Q HA 0.133 4.473 4.340 -0.000 0.000 0.231 405 Q C 0.057 176.069 176.000 0.020 0.000 0.817 405 Q CA 0.000 55.816 55.803 0.021 0.000 1.073 405 Q CB 0.938 29.691 28.738 0.024 0.000 1.176 405 Q HN 0.418 nan 8.270 nan 0.000 0.478 406 T N -1.707 112.858 114.554 0.019 0.000 2.771 406 T HA 0.568 4.918 4.350 -0.000 0.000 0.281 406 T C 0.220 174.938 174.700 0.030 0.000 0.982 406 T CA -0.742 61.372 62.100 0.024 0.000 0.978 406 T CB 1.475 70.356 68.868 0.020 0.000 0.930 406 T HN 0.026 nan 8.240 nan 0.000 0.447 407 V N 0.752 120.690 119.914 0.039 0.000 2.863 407 V HA 0.627 4.747 4.120 -0.000 0.000 0.307 407 V C 0.077 176.205 176.094 0.058 0.000 1.061 407 V CA -0.823 61.504 62.300 0.045 0.000 1.024 407 V CB 1.302 33.154 31.823 0.048 0.000 1.049 407 V HN 0.976 nan 8.190 nan 0.000 0.471 408 D N 1.203 121.637 120.400 0.057 0.000 2.980 408 D HA 0.143 4.783 4.640 -0.000 0.000 0.333 408 D C 0.295 176.635 176.300 0.066 0.000 1.356 408 D CA 0.010 54.051 54.000 0.069 0.000 0.847 408 D CB -0.423 40.413 40.800 0.061 0.000 1.122 408 D HN 0.898 nan 8.370 nan 0.000 0.475 409 N N -0.998 117.743 118.700 0.068 0.000 1.938 409 N HA -0.077 4.663 4.740 -0.000 0.000 0.225 409 N C -0.276 175.273 175.510 0.064 0.000 1.400 409 N CA -0.446 52.638 53.050 0.057 0.000 0.772 409 N CB 0.302 38.816 38.487 0.045 0.000 1.124 409 N HN -0.091 nan 8.380 nan 0.000 0.513 410 D N 3.232 123.690 120.400 0.095 0.000 3.041 410 D HA -0.098 4.542 4.640 -0.000 0.000 0.207 410 D C -0.852 175.504 176.300 0.092 0.000 1.077 410 D CA -0.154 53.924 54.000 0.130 0.000 0.782 410 D CB 1.280 42.221 40.800 0.235 0.000 1.169 410 D HN 0.147 nan 8.370 nan 0.000 0.517 411 P HA -0.209 nan 4.420 nan 0.000 0.219 411 P C 1.464 178.764 177.300 0.000 0.000 1.161 411 P CA 1.155 64.283 63.100 0.046 0.000 0.909 411 P CB 0.178 31.913 31.700 0.059 0.000 0.793 412 V N -2.965 116.937 119.914 -0.020 0.000 2.436 412 V HA -0.038 4.082 4.120 -0.000 0.000 0.240 412 V C 0.943 176.793 176.094 -0.406 0.000 1.040 412 V CA 0.939 63.098 62.300 -0.235 0.000 1.052 412 V CB -1.056 30.500 31.823 -0.445 0.000 0.707 412 V HN -0.068 nan 8.190 nan 0.000 0.469 413 Y N 1.521 121.761 120.300 -0.098 0.000 2.327 413 Y HA 0.510 5.060 4.550 -0.000 0.000 0.336 413 Y C -2.238 173.474 175.900 -0.314 0.000 1.035 413 Y CA -3.373 54.519 58.100 -0.347 0.000 1.165 413 Y CB -0.117 38.360 38.460 0.030 0.000 1.181 413 Y HN 0.156 nan 8.280 nan 0.000 0.494 414 P HA 0.322 nan 4.420 nan 0.000 0.274 414 P C 0.755 178.100 177.300 0.074 0.000 1.256 414 P CA 0.572 63.565 63.100 -0.177 0.000 0.795 414 P CB 1.037 32.577 31.700 -0.268 0.000 1.038 415 G N 0.292 109.181 108.800 0.148 0.000 2.669 415 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.250 415 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.250 415 G C -0.569 174.460 174.900 0.214 0.000 1.247 415 G CA -0.134 45.133 45.100 0.278 0.000 0.958 415 G HN 0.775 nan 8.290 nan 0.000 0.559 416 R N 0.262 120.907 120.500 0.243 0.000 2.680 416 R HA 0.545 4.885 4.340 -0.000 0.000 0.278 416 R C -1.241 175.126 176.300 0.110 0.000 1.582 416 R CA -0.640 55.532 56.100 0.120 0.000 1.177 416 R CB 0.166 30.490 30.300 0.040 0.000 1.232 416 R HN 0.422 nan 8.270 nan 0.000 0.528 417 I N 1.449 122.090 120.570 0.119 0.000 2.359 417 I HA 0.280 4.450 4.170 -0.000 0.000 0.294 417 I C 0.565 176.699 176.117 0.028 0.000 0.987 417 I CA -0.134 61.221 61.300 0.091 0.000 1.225 417 I CB 1.883 39.959 38.000 0.126 0.000 1.366 417 I HN 0.271 nan 8.210 nan 0.000 0.466 418 S N 3.480 119.168 115.700 -0.019 0.000 2.585 418 S HA 0.378 4.848 4.470 -0.000 0.000 0.277 418 S C 0.854 175.429 174.600 -0.042 0.000 1.241 418 S CA -0.476 57.709 58.200 -0.025 0.000 1.041 418 S CB 0.611 63.786 63.200 -0.041 0.000 0.987 418 S HN 0.645 nan 8.310 nan 0.000 0.512 419 N N 2.136 120.830 118.700 -0.009 0.000 2.348 419 N HA 0.037 4.777 4.740 -0.000 0.000 0.183 419 N C -0.096 175.426 175.510 0.019 0.000 1.094 419 N CA 0.139 53.188 53.050 -0.001 0.000 0.885 419 N CB 0.073 38.578 38.487 0.029 0.000 1.065 419 N HN 0.754 nan 8.380 nan 0.000 0.472 420 N N 0.219 118.943 118.700 0.039 0.000 2.434 420 N HA 0.081 4.821 4.740 -0.000 0.000 0.272 420 N C 0.736 176.282 175.510 0.059 0.000 1.040 420 N CA -0.281 52.824 53.050 0.092 0.000 0.956 420 N CB 1.839 40.395 38.487 0.115 0.000 1.108 420 N HN -0.279 nan 8.380 nan 0.000 0.481 421 V N 3.858 123.801 119.914 0.050 0.000 3.306 421 V HA 0.087 4.207 4.120 -0.000 0.000 0.264 421 V C -0.369 175.590 176.094 -0.225 0.000 1.149 421 V CA 0.592 62.792 62.300 -0.167 0.000 1.143 421 V CB -1.000 30.640 31.823 -0.304 0.000 0.767 421 V HN 0.693 nan 8.190 nan 0.000 0.476 422 Y N 1.908 122.204 120.300 -0.006 0.000 2.667 422 Y HA 0.515 5.065 4.550 -0.000 0.000 0.340 422 Y C 0.746 176.645 175.900 -0.001 0.000 1.303 422 Y CA 0.189 58.293 58.100 0.007 0.000 1.769 422 Y CB -0.047 38.431 38.460 0.030 0.000 1.804 422 Y HN 0.333 nan 8.280 nan 0.000 0.451 423 S N -0.636 115.093 115.700 0.049 0.000 2.651 423 S HA 0.505 4.975 4.470 -0.000 0.000 0.279 423 S C -0.186 174.424 174.600 0.017 0.000 1.148 423 S CA -1.050 57.175 58.200 0.041 0.000 0.837 423 S CB 1.832 65.046 63.200 0.024 0.000 1.138 423 S HN 0.469 nan 8.310 nan 0.000 0.478 424 E N 0.178 120.399 120.200 0.034 0.000 2.499 424 E HA 0.165 4.515 4.350 -0.000 0.000 0.207 424 E C 0.354 176.977 176.600 0.037 0.000 1.034 424 E CA -0.074 56.350 56.400 0.040 0.000 1.098 424 E CB 0.503 30.246 29.700 0.073 0.000 1.148 424 E HN 0.682 nan 8.360 nan 0.000 0.447 425 E N 1.335 121.538 120.200 0.006 0.000 2.046 425 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 425 E C 1.900 178.470 176.600 -0.050 0.000 0.982 425 E CA 1.452 57.848 56.400 -0.007 0.000 0.800 425 E CB -0.007 29.678 29.700 -0.025 0.000 0.756 425 E HN 0.286 nan 8.360 nan 0.000 0.449 426 A N 1.029 123.796 122.820 -0.089 0.000 1.877 426 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 426 A C 2.473 179.983 177.584 -0.123 0.000 1.186 426 A CA 2.217 54.167 52.037 -0.145 0.000 0.620 426 A CB -1.221 17.700 19.000 -0.132 0.000 0.822 426 A HN 0.381 nan 8.150 nan 0.000 0.443 427 A N -0.254 122.524 122.820 -0.071 0.000 1.873 427 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 427 A C 2.255 179.802 177.584 -0.062 0.000 1.193 427 A CA 1.890 53.873 52.037 -0.089 0.000 0.629 427 A CB -0.602 18.404 19.000 0.010 0.000 0.826 427 A HN 0.546 nan 8.150 nan 0.000 0.447 428 R N -1.211 119.333 120.500 0.073 0.000 2.103 428 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 428 R C 2.370 178.714 176.300 0.074 0.000 1.142 428 R CA 1.278 57.502 56.100 0.207 0.000 0.960 428 R CB -0.702 29.735 30.300 0.228 0.000 0.858 428 R HN 0.576 nan 8.270 nan 0.000 0.439 429 G N 0.811 109.584 108.800 -0.046 0.000 2.432 429 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 429 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 429 G C 1.377 176.139 174.900 -0.230 0.000 1.135 429 G CA 0.304 45.322 45.100 -0.136 0.000 0.767 429 G HN 0.218 nan 8.290 nan 0.000 0.550 430 L N -1.040 120.019 121.223 -0.273 0.000 2.005 430 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 430 L C 2.684 179.333 176.870 -0.368 0.000 1.072 430 L CA 1.353 55.999 54.840 -0.323 0.000 0.744 430 L CB -0.199 41.606 42.059 -0.424 0.000 0.895 430 L HN 0.331 nan 8.230 nan 0.000 0.433 431 Y N -0.845 119.209 120.300 -0.410 0.000 2.293 431 Y HA -0.193 4.357 4.550 -0.000 0.000 0.291 431 Y C 2.492 178.092 175.900 -0.499 0.000 1.137 431 Y CA 0.708 58.368 58.100 -0.733 0.000 1.202 431 Y CB -0.424 37.090 38.460 -1.578 0.000 0.990 431 Y HN 0.316 nan 8.280 nan 0.000 0.537 432 A N -0.639 122.089 122.820 -0.152 0.000 1.930 432 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 432 A C 1.783 179.305 177.584 -0.104 0.000 1.175 432 A CA 1.954 54.024 52.037 0.055 0.000 0.627 432 A CB -0.836 18.236 19.000 0.120 0.000 0.815 432 A HN 0.552 nan 8.150 nan 0.000 0.443 433 H N -2.403 116.437 119.070 -0.383 0.000 2.363 433 H HA -0.137 4.418 4.556 -0.000 0.000 0.301 433 H C 1.706 176.724 175.328 -0.517 0.000 1.074 433 H CA 1.863 57.516 56.048 -0.659 0.000 1.354 433 H CB -0.450 28.651 29.762 -1.101 0.000 1.397 433 H HN 0.637 nan 8.280 nan 0.000 0.516 434 W N 0.963 121.967 121.300 -0.494 0.000 2.304 434 W HA -0.294 4.366 4.660 -0.000 0.000 0.315 434 W C 2.067 178.434 176.519 -0.253 0.000 1.233 434 W CA 2.100 59.321 57.345 -0.206 0.000 1.261 434 W CB -0.610 28.815 29.460 -0.058 0.000 1.150 434 W HN 0.301 nan 8.180 nan 0.000 0.494 435 L N 0.370 121.592 121.223 -0.000 0.000 2.046 435 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 435 L C 2.809 179.497 176.870 -0.303 0.000 1.077 435 L CA 1.719 56.493 54.840 -0.110 0.000 0.747 435 L CB -0.638 41.513 42.059 0.153 0.000 0.896 435 L HN 0.022 nan 8.230 nan 0.000 0.432 436 R N -0.822 119.466 120.500 -0.353 0.000 2.081 436 R HA -0.153 4.186 4.340 -0.000 0.000 0.235 436 R C 2.309 178.317 176.300 -0.486 0.000 1.131 436 R CA 1.398 57.266 56.100 -0.387 0.000 0.960 436 R CB -0.065 29.954 30.300 -0.468 0.000 0.856 436 R HN 0.321 nan 8.270 nan 0.000 0.436 437 M N -0.395 118.803 119.600 -0.670 0.000 2.117 437 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 437 M C 2.143 178.133 176.300 -0.517 0.000 1.065 437 M CA 1.365 56.303 55.300 -0.604 0.000 1.114 437 M CB -0.374 31.898 32.600 -0.547 0.000 1.361 437 M HN 0.173 nan 8.290 nan 0.000 0.408 438 M N -0.125 119.098 119.600 -0.629 0.000 2.394 438 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 438 M C 1.880 177.938 176.300 -0.405 0.000 1.073 438 M CA 1.531 56.454 55.300 -0.628 0.000 1.111 438 M CB -1.188 30.792 32.600 -1.033 0.000 1.401 438 M HN 0.398 nan 8.290 nan 0.000 0.448 439 T N -3.992 110.362 114.554 -0.333 0.000 3.054 439 T HA 0.199 4.549 4.350 -0.000 0.000 0.255 439 T C 0.672 175.275 174.700 -0.162 0.000 1.035 439 T CA -0.267 61.708 62.100 -0.208 0.000 0.941 439 T CB 0.089 68.861 68.868 -0.160 0.000 1.026 439 T HN 0.039 nan 8.240 nan 0.000 0.533 440 S N 3.659 119.239 115.700 -0.200 0.000 2.562 440 S HA 0.471 4.941 4.470 -0.000 0.000 0.275 440 S C -1.826 172.685 174.600 -0.148 0.000 1.281 440 S CA -1.001 57.104 58.200 -0.158 0.000 1.045 440 S CB 1.418 64.496 63.200 -0.202 0.000 0.962 440 S HN 0.280 nan 8.310 nan 0.000 0.503 441 P HA 0.389 nan 4.420 nan 0.000 0.268 441 P C -0.371 176.908 177.300 -0.036 0.000 1.329 441 P CA 0.177 63.236 63.100 -0.068 0.000 0.899 441 P CB 0.439 32.119 31.700 -0.033 0.000 1.378 442 D N -2.628 117.754 120.400 -0.031 0.000 2.116 442 D HA 0.101 4.740 4.640 -0.000 0.000 0.347 442 D C -0.800 175.671 176.300 0.285 0.000 1.045 442 D CA 0.398 54.459 54.000 0.102 0.000 0.885 442 D CB 0.326 41.183 40.800 0.095 0.000 1.654 442 D HN -0.079 nan 8.370 nan 0.000 0.533 443 W N 1.987 123.319 121.300 0.054 0.000 3.078 443 W HA -0.134 4.526 4.660 -0.000 0.000 0.465 443 W C -0.099 176.464 176.519 0.073 0.000 1.845 443 W CA -0.828 56.570 57.345 0.089 0.000 0.459 443 W CB -1.232 28.274 29.460 0.076 0.000 2.859 443 W HN -0.077 nan 8.180 nan 0.000 0.417 444 D N 0.000 120.578 120.400 0.296 0.000 6.856 444 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 444 D CA 0.000 54.131 54.000 0.218 0.000 0.868 444 D CB 0.000 40.951 40.800 0.252 0.000 0.688 444 D HN 0.000 nan 8.370 nan 0.000 0.683