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 3a8k_1_B DATA FIRST_RESID 1 DATA SEQUENCE AQQTPLYEQH TLCGARMVDF HGWMMPLHYG SQIDEHHAVR TDAGMFDVSH DATA SEQUENCE MTIVDLRGSR TREFLRYLLA NDVAKLTKSG KALYSGMLNA SGGVIDNLIV DATA SEQUENCE YYFTEDFFRL VVNSATREKD LSWITQHAEP FGIEITVRDD LSMIAVQGPN DATA SEQUENCE AQAKAATLFN DAQRQAVEGM KPFFGVQAGD LFIATTGYTG EAGYEIALPN DATA SEQUENCE EKAADFWRAL VEAGVKPCGL GARDTLRLEA GMNLYGQEMD ETISPLAANM DATA SEQUENCE GWTIAWEPAD RDFIGREALE VQREHGTEKL VGLVMTEKGV LRNELPVRFT DATA SEQUENCE DAQGNQHEGI ITSGTFSPTL GYSIALARVP EGIGETAIVQ IRNREMPVKV DATA SEQUENCE TKPVFVRNGK AVA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.474 177.584 -0.184 0.000 1.274 1 A CA 0.000 51.964 52.037 -0.122 0.000 0.836 1 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 2 Q N 1.089 120.668 119.800 -0.369 0.000 2.249 2 Q HA 0.616 4.956 4.340 0.000 0.000 0.226 2 Q C 0.223 176.151 176.000 -0.120 0.000 0.983 2 Q CA -0.086 55.480 55.803 -0.394 0.000 0.930 2 Q CB 1.028 29.309 28.738 -0.761 0.000 1.193 2 Q HN 0.848 nan 8.270 nan 0.000 0.508 3 Q N -1.466 118.379 119.800 0.074 0.000 2.528 3 Q HA 0.706 5.046 4.340 0.000 0.000 0.289 3 Q C -0.586 175.698 176.000 0.474 0.000 1.091 3 Q CA -0.968 55.050 55.803 0.358 0.000 0.797 3 Q CB 1.294 30.159 28.738 0.212 0.000 1.466 3 Q HN 0.647 nan 8.270 nan 0.000 0.436 4 T N -2.946 111.874 114.554 0.444 0.000 2.824 4 T HA 0.332 4.682 4.350 0.000 0.000 0.277 4 T C -1.825 172.989 174.700 0.191 0.000 0.975 4 T CA -1.492 60.786 62.100 0.297 0.000 0.966 4 T CB 0.472 69.436 68.868 0.160 0.000 1.054 4 T HN 0.436 nan 8.240 nan 0.000 0.533 5 P HA 0.133 nan 4.420 nan 0.000 0.228 5 P C 0.954 178.249 177.300 -0.009 0.000 1.151 5 P CA 0.673 63.811 63.100 0.064 0.000 0.770 5 P CB -0.064 31.667 31.700 0.052 0.000 0.786 6 L N -3.375 117.786 121.223 -0.103 0.000 2.640 6 L HA 0.095 4.435 4.340 0.000 0.000 0.230 6 L C 2.002 178.558 176.870 -0.525 0.000 1.123 6 L CA -0.102 54.468 54.840 -0.450 0.000 0.900 6 L CB -0.453 41.122 42.059 -0.806 0.000 1.146 6 L HN -0.073 nan 8.230 nan 0.000 0.484 7 Y N 1.574 121.755 120.300 -0.198 0.000 2.139 7 Y HA -0.371 4.180 4.550 0.000 0.000 0.282 7 Y C 2.470 178.332 175.900 -0.064 0.000 1.179 7 Y CA 2.356 60.438 58.100 -0.030 0.000 1.161 7 Y CB 0.091 38.571 38.460 0.034 0.000 0.970 7 Y HN 0.274 nan 8.280 nan 0.000 0.511 8 E N -0.906 119.353 120.200 0.100 0.000 2.072 8 E HA -0.214 4.136 4.350 0.000 0.000 0.190 8 E C 2.176 178.735 176.600 -0.068 0.000 0.982 8 E CA 0.922 57.359 56.400 0.062 0.000 0.803 8 E CB -0.057 29.697 29.700 0.089 0.000 0.755 8 E HN 0.496 nan 8.360 nan 0.000 0.453 9 Q N 0.058 119.748 119.800 -0.183 0.000 2.096 9 Q HA -0.192 4.148 4.340 0.000 0.000 0.204 9 Q C 2.101 178.030 176.000 -0.119 0.000 0.982 9 Q CA 1.303 56.999 55.803 -0.178 0.000 0.850 9 Q CB -0.423 28.097 28.738 -0.363 0.000 0.901 9 Q HN 0.525 nan 8.270 nan 0.000 0.422 10 H N -0.074 118.874 119.070 -0.204 0.000 2.352 10 H HA -0.089 4.467 4.556 0.000 0.000 0.299 10 H C 2.342 177.642 175.328 -0.047 0.000 1.097 10 H CA 2.059 58.058 56.048 -0.082 0.000 1.311 10 H CB -0.720 28.861 29.762 -0.300 0.000 1.377 10 H HN 0.455 nan 8.280 nan 0.000 0.504 11 T N -0.662 113.861 114.554 -0.051 0.000 2.746 11 T HA -0.123 4.227 4.350 0.000 0.000 0.267 11 T C 2.228 176.959 174.700 0.052 0.000 1.039 11 T CA 1.167 63.243 62.100 -0.040 0.000 1.142 11 T CB -0.801 68.029 68.868 -0.063 0.000 0.866 11 T HN 0.288 nan 8.240 nan 0.000 0.444 12 L N 0.187 121.451 121.223 0.069 0.000 2.127 12 L HA -0.013 4.327 4.340 0.000 0.000 0.211 12 L C 1.983 178.931 176.870 0.131 0.000 1.089 12 L CA 1.394 56.288 54.840 0.089 0.000 0.757 12 L CB -0.471 41.638 42.059 0.084 0.000 0.899 12 L HN 0.400 nan 8.230 nan 0.000 0.434 13 C N 0.826 120.253 119.300 0.212 0.000 2.626 13 C HA 0.368 4.829 4.460 0.000 0.000 0.266 13 C C 1.586 176.774 174.990 0.331 0.000 1.317 13 C CA 0.333 59.512 59.018 0.269 0.000 1.716 13 C CB -1.302 26.658 27.740 0.368 0.000 1.819 13 C HN 0.869 nan 8.230 nan 0.000 0.578 14 G N 0.745 109.687 108.800 0.236 0.000 2.142 14 G HA2 -0.001 3.959 3.960 0.000 0.000 0.225 14 G HA3 -0.001 3.959 3.960 0.000 0.000 0.225 14 G C 0.088 175.040 174.900 0.086 0.000 1.015 14 G CA 0.096 45.296 45.100 0.166 0.000 0.716 14 G HN 0.889 nan 8.290 nan 0.000 0.508 15 A N -0.311 122.484 122.820 -0.042 0.000 2.511 15 A HA 0.666 4.986 4.320 0.000 0.000 0.242 15 A C 0.729 178.105 177.584 -0.346 0.000 1.069 15 A CA 0.326 52.085 52.037 -0.463 0.000 0.763 15 A CB 0.253 18.926 19.000 -0.545 0.000 1.001 15 A HN 0.487 nan 8.150 nan 0.000 0.498 16 R N 2.340 122.560 120.500 -0.467 0.000 2.196 16 R HA 0.352 4.692 4.340 0.000 0.000 0.340 16 R C -0.257 175.827 176.300 -0.360 0.000 1.043 16 R CA -0.105 55.759 56.100 -0.394 0.000 0.883 16 R CB 0.553 30.504 30.300 -0.581 0.000 1.078 16 R HN 0.670 nan 8.270 nan 0.000 0.462 17 M N 3.438 122.904 119.600 -0.223 0.000 2.216 17 M HA 0.318 4.799 4.480 0.000 0.000 0.356 17 M C 0.065 176.324 176.300 -0.068 0.000 1.205 17 M CA -0.646 54.564 55.300 -0.150 0.000 1.122 17 M CB 1.151 33.712 32.600 -0.065 0.000 1.571 17 M HN 0.409 nan 8.290 nan 0.000 0.464 18 V N -0.431 119.465 119.914 -0.031 0.000 3.126 18 V HA 0.636 4.756 4.120 0.000 0.000 0.314 18 V C -0.765 175.396 176.094 0.111 0.000 1.138 18 V CA -1.026 61.295 62.300 0.035 0.000 1.034 18 V CB 2.269 34.114 31.823 0.036 0.000 1.075 18 V HN 0.750 nan 8.190 nan 0.000 0.442 19 D N 1.580 122.054 120.400 0.123 0.000 2.380 19 D HA 0.288 4.928 4.640 0.000 0.000 0.230 19 D C -1.229 175.207 176.300 0.227 0.000 1.154 19 D CA -0.198 53.894 54.000 0.154 0.000 0.859 19 D CB 0.745 41.595 40.800 0.084 0.000 1.045 19 D HN 0.568 nan 8.370 nan 0.000 0.495 20 F N 5.487 125.535 119.950 0.163 0.000 2.332 20 F HA 0.254 4.781 4.527 0.000 0.000 0.368 20 F C 0.378 176.393 175.800 0.358 0.000 1.110 20 F CA -0.555 57.558 58.000 0.189 0.000 1.087 20 F CB 0.156 39.279 39.000 0.205 0.000 1.235 20 F HN 0.428 nan 8.300 nan 0.000 0.470 21 H N 4.199 123.111 119.070 -0.263 0.000 2.655 21 H HA -0.200 4.356 4.556 0.000 0.000 0.313 21 H C 1.404 176.749 175.328 0.029 0.000 1.141 21 H CA 1.194 57.124 56.048 -0.197 0.000 1.138 21 H CB -1.057 28.487 29.762 -0.363 0.000 1.446 21 H HN 1.178 nan 8.280 nan 0.000 0.415 22 G N -1.789 107.069 108.800 0.098 0.000 2.175 22 G HA2 -0.268 3.692 3.960 0.000 0.000 0.244 22 G HA3 -0.268 3.692 3.960 0.000 0.000 0.244 22 G C -0.143 174.639 174.900 -0.196 0.000 0.982 22 G CA 0.199 45.261 45.100 -0.063 0.000 0.641 22 G HN 0.395 nan 8.290 nan 0.000 0.527 23 W N 0.337 121.719 121.300 0.137 0.000 2.600 23 W HA 0.777 5.438 4.660 0.001 0.000 0.325 23 W C 0.172 176.779 176.519 0.147 0.000 1.034 23 W CA -1.301 56.136 57.345 0.155 0.000 1.226 23 W CB 1.217 30.811 29.460 0.223 0.000 1.379 23 W HN -0.099 nan 8.180 nan 0.000 0.466 24 M N 5.392 125.201 119.600 0.348 0.000 2.292 24 M HA 0.239 4.719 4.480 0.000 0.000 0.342 24 M C -0.425 176.027 176.300 0.253 0.000 1.538 24 M CA 0.381 55.856 55.300 0.292 0.000 1.163 24 M CB -0.523 32.277 32.600 0.335 0.000 1.823 24 M HN 0.286 nan 8.290 nan 0.000 0.462 25 M N 4.867 124.540 119.600 0.122 0.000 2.572 25 M HA 0.499 4.980 4.480 0.000 0.000 0.299 25 M C -2.458 173.722 176.300 -0.200 0.000 1.205 25 M CA -2.138 53.127 55.300 -0.058 0.000 0.876 25 M CB 2.068 34.639 32.600 -0.049 0.000 1.728 25 M HN 0.128 nan 8.290 nan 0.000 0.458 26 P HA 0.096 nan 4.420 nan 0.000 0.270 26 P C 0.687 177.779 177.300 -0.347 0.000 1.242 26 P CA -0.176 62.601 63.100 -0.538 0.000 0.768 26 P CB 0.427 31.601 31.700 -0.878 0.000 0.820 27 L N 5.351 126.388 121.223 -0.310 0.000 2.056 27 L HA -0.027 4.313 4.340 0.000 0.000 0.207 27 L C 0.722 177.532 176.870 -0.100 0.000 1.078 27 L CA 1.992 56.722 54.840 -0.184 0.000 0.749 27 L CB -0.644 41.320 42.059 -0.158 0.000 0.901 27 L HN 0.621 nan 8.230 nan 0.000 0.433 28 H N -6.175 112.783 119.070 -0.187 0.000 2.887 28 H HA 0.344 4.900 4.556 0.000 0.000 0.290 28 H C -1.418 173.756 175.328 -0.256 0.000 1.429 28 H CA -1.010 54.983 56.048 -0.093 0.000 1.137 28 H CB -0.132 29.640 29.762 0.016 0.000 1.824 28 H HN -0.105 nan 8.280 nan 0.000 0.520 29 Y N 0.142 120.593 120.300 0.251 0.000 2.715 29 Y HA 0.550 5.100 4.550 0.001 0.000 0.255 29 Y C 1.320 177.348 175.900 0.213 0.000 1.139 29 Y CA 0.316 58.510 58.100 0.156 0.000 1.151 29 Y CB 1.244 39.761 38.460 0.095 0.000 1.201 29 Y HN 1.157 nan 8.280 nan 0.000 0.556 30 G N -0.490 108.625 108.800 0.526 0.000 3.465 30 G HA2 -0.136 3.825 3.960 0.000 0.000 0.196 30 G HA3 -0.136 3.825 3.960 0.000 0.000 0.196 30 G C -0.077 174.783 174.900 -0.067 0.000 1.170 30 G CA 0.049 45.274 45.100 0.208 0.000 0.887 30 G HN 0.260 nan 8.290 nan 0.000 0.444 31 S N 0.584 116.242 115.700 -0.070 0.000 2.680 31 S HA 0.460 4.930 4.470 0.000 0.000 0.262 31 S C 0.932 175.489 174.600 -0.071 0.000 1.138 31 S CA 0.766 58.865 58.200 -0.169 0.000 1.072 31 S CB 1.201 64.360 63.200 -0.068 0.000 1.097 31 S HN 0.833 nan 8.310 nan 0.000 0.468 32 Q N 4.601 124.331 119.800 -0.117 0.000 2.226 32 Q HA -0.054 4.286 4.340 0.000 0.000 0.204 32 Q C 1.233 177.287 176.000 0.090 0.000 0.975 32 Q CA 1.295 57.133 55.803 0.058 0.000 0.866 32 Q CB -0.180 28.610 28.738 0.088 0.000 0.915 32 Q HN 0.705 nan 8.270 nan 0.000 0.440 33 I N 1.923 122.510 120.570 0.029 0.000 2.252 33 I HA -0.200 3.971 4.170 0.000 0.000 0.245 33 I C 1.422 177.607 176.117 0.113 0.000 1.102 33 I CA 1.316 62.651 61.300 0.057 0.000 1.385 33 I CB -0.964 37.030 38.000 -0.009 0.000 1.064 33 I HN 0.269 nan 8.210 nan 0.000 0.414 34 D N 0.854 121.293 120.400 0.065 0.000 2.178 34 D HA -0.158 4.483 4.640 0.000 0.000 0.201 34 D C 2.128 178.509 176.300 0.135 0.000 0.980 34 D CA 0.964 55.017 54.000 0.088 0.000 0.842 34 D CB -0.075 40.746 40.800 0.036 0.000 0.948 34 D HN 0.434 nan 8.370 nan 0.000 0.472 35 E N -0.522 119.749 120.200 0.119 0.000 2.072 35 E HA -0.185 4.166 4.350 0.000 0.000 0.191 35 E C 1.892 178.575 176.600 0.139 0.000 0.985 35 E CA 0.758 57.214 56.400 0.093 0.000 0.801 35 E CB -0.114 29.651 29.700 0.108 0.000 0.750 35 E HN 0.456 nan 8.360 nan 0.000 0.452 36 H N -0.192 118.945 119.070 0.112 0.000 2.319 36 H HA -0.205 4.351 4.556 0.001 0.000 0.299 36 H C 2.204 177.593 175.328 0.101 0.000 1.092 36 H CA 2.284 58.404 56.048 0.120 0.000 1.302 36 H CB -0.052 29.774 29.762 0.107 0.000 1.373 36 H HN 0.211 nan 8.280 nan 0.000 0.497 37 H N -0.319 118.882 119.070 0.220 0.000 2.387 37 H HA -0.038 4.518 4.556 0.001 0.000 0.299 37 H C 2.181 177.528 175.328 0.031 0.000 1.090 37 H CA 1.562 57.687 56.048 0.128 0.000 1.332 37 H CB -0.353 29.465 29.762 0.093 0.000 1.386 37 H HN 0.464 nan 8.280 nan 0.000 0.516 38 A N -0.013 122.832 122.820 0.040 0.000 1.908 38 A HA -0.140 4.181 4.320 0.000 0.000 0.218 38 A C 2.595 180.109 177.584 -0.116 0.000 1.181 38 A CA 1.799 53.800 52.037 -0.060 0.000 0.627 38 A CB -0.881 18.093 19.000 -0.044 0.000 0.818 38 A HN 0.355 nan 8.150 nan 0.000 0.445 39 V N -0.267 119.593 119.914 -0.090 0.000 2.548 39 V HA -0.129 3.992 4.120 0.000 0.000 0.249 39 V C 2.572 178.587 176.094 -0.131 0.000 1.055 39 V CA 1.559 63.811 62.300 -0.079 0.000 1.065 39 V CB -0.701 31.124 31.823 0.004 0.000 0.681 39 V HN 0.429 nan 8.190 nan 0.000 0.462 40 R N 0.599 120.991 120.500 -0.181 0.000 2.189 40 R HA -0.040 4.300 4.340 0.000 0.000 0.218 40 R C 2.070 178.260 176.300 -0.184 0.000 1.074 40 R CA 1.673 57.672 56.100 -0.169 0.000 0.991 40 R CB -0.423 29.806 30.300 -0.119 0.000 0.883 40 R HN 0.727 nan 8.270 nan 0.000 0.457 41 T N -4.169 110.230 114.554 -0.259 0.000 2.975 41 T HA 0.140 4.490 4.350 0.000 0.000 0.261 41 T C 0.539 175.137 174.700 -0.170 0.000 0.984 41 T CA -0.015 61.937 62.100 -0.247 0.000 0.911 41 T CB 0.630 69.249 68.868 -0.415 0.000 1.127 41 T HN 0.009 nan 8.240 nan 0.000 0.514 42 D N 1.403 121.712 120.400 -0.152 0.000 2.425 42 D HA 0.577 5.218 4.640 0.000 0.000 0.104 42 D C -1.251 174.982 176.300 -0.113 0.000 1.395 42 D CA 0.613 54.542 54.000 -0.118 0.000 1.447 42 D CB 0.733 41.469 40.800 -0.107 0.000 2.239 42 D HN 0.439 nan 8.370 nan 0.000 0.193 43 A N -0.119 122.631 122.820 -0.117 0.000 2.513 43 A HA 0.710 5.030 4.320 0.000 0.000 0.296 43 A C -0.340 177.158 177.584 -0.143 0.000 1.052 43 A CA -0.001 51.965 52.037 -0.118 0.000 0.714 43 A CB 1.609 20.531 19.000 -0.129 0.000 1.279 43 A HN 0.497 nan 8.150 nan 0.000 0.397 44 G N 0.816 109.536 108.800 -0.133 0.000 2.605 44 G HA2 0.802 4.763 3.960 0.000 0.000 0.296 44 G HA3 0.802 4.763 3.960 0.000 0.000 0.296 44 G C -0.570 174.175 174.900 -0.259 0.000 1.304 44 G CA -0.409 44.550 45.100 -0.236 0.000 0.941 44 G HN 1.479 nan 8.290 nan 0.000 0.475 45 M N -0.676 118.635 119.600 -0.481 0.000 2.593 45 M HA 0.875 5.355 4.480 0.000 0.000 0.290 45 M C -2.017 174.040 176.300 -0.405 0.000 1.244 45 M CA -0.843 54.271 55.300 -0.310 0.000 0.857 45 M CB 2.606 34.996 32.600 -0.350 0.000 1.738 45 M HN 0.296 nan 8.290 nan 0.000 0.461 46 F N -0.211 119.899 119.950 0.267 0.000 2.591 46 F HA 0.400 4.927 4.527 0.000 0.000 0.309 46 F C -0.682 175.407 175.800 0.482 0.000 1.098 46 F CA -0.710 57.519 58.000 0.380 0.000 0.937 46 F CB 1.569 40.714 39.000 0.242 0.000 1.250 46 F HN 0.633 nan 8.300 nan 0.000 0.447 47 D N 2.089 122.851 120.400 0.604 0.000 2.336 47 D HA 0.290 4.930 4.640 0.000 0.000 0.249 47 D C 0.230 176.715 176.300 0.310 0.000 1.213 47 D CA 0.045 54.283 54.000 0.397 0.000 0.870 47 D CB 1.267 42.199 40.800 0.220 0.000 1.076 47 D HN 0.373 nan 8.370 nan 0.000 0.483 48 V N 1.427 121.540 119.914 0.332 0.000 3.043 48 V HA 0.220 4.340 4.120 0.000 0.000 0.357 48 V C 1.241 177.509 176.094 0.291 0.000 1.372 48 V CA -0.369 62.142 62.300 0.352 0.000 1.214 48 V CB -0.029 31.924 31.823 0.217 0.000 1.224 48 V HN 0.313 nan 8.190 nan 0.000 0.507 49 S N 1.848 117.688 115.700 0.232 0.000 2.474 49 S HA -0.102 4.368 4.470 0.000 0.000 0.235 49 S C 1.728 176.332 174.600 0.006 0.000 0.997 49 S CA 1.457 59.722 58.200 0.109 0.000 0.949 49 S CB -0.496 62.751 63.200 0.078 0.000 0.766 49 S HN 1.020 nan 8.310 nan 0.000 0.517 50 H N 0.276 119.100 119.070 -0.410 0.000 2.556 50 H HA 0.299 4.855 4.556 0.000 0.000 0.268 50 H C 0.484 175.578 175.328 -0.391 0.000 0.996 50 H CA -0.170 55.389 56.048 -0.815 0.000 1.157 50 H CB -0.774 28.035 29.762 -1.588 0.000 1.355 50 H HN 0.343 nan 8.280 nan 0.000 0.597 51 M N 1.334 120.703 119.600 -0.384 0.000 2.228 51 M HA 0.188 4.668 4.480 0.000 0.000 0.326 51 M C -0.168 176.069 176.300 -0.105 0.000 1.122 51 M CA 0.301 55.433 55.300 -0.280 0.000 1.161 51 M CB 1.026 33.497 32.600 -0.215 0.000 1.437 51 M HN -0.004 nan 8.290 nan 0.000 0.465 52 T N 2.718 117.236 114.554 -0.060 0.000 2.797 52 T HA 0.579 4.930 4.350 0.000 0.000 0.279 52 T C -0.244 174.463 174.700 0.012 0.000 0.991 52 T CA -0.559 61.541 62.100 -0.000 0.000 0.979 52 T CB 0.807 69.691 68.868 0.027 0.000 0.943 52 T HN 0.406 nan 8.240 nan 0.000 0.444 53 I N 2.918 123.500 120.570 0.019 0.000 2.385 53 I HA 0.441 4.611 4.170 0.000 0.000 0.294 53 I C -0.472 175.670 176.117 0.041 0.000 0.988 53 I CA -0.807 60.505 61.300 0.020 0.000 1.265 53 I CB 1.451 39.437 38.000 -0.023 0.000 1.388 53 I HN 0.243 nan 8.210 nan 0.000 0.480 54 V N 5.237 125.192 119.914 0.068 0.000 2.407 54 V HA 0.299 4.420 4.120 0.000 0.000 0.291 54 V C -0.674 175.509 176.094 0.149 0.000 1.018 54 V CA -0.800 61.558 62.300 0.097 0.000 0.842 54 V CB 1.679 33.564 31.823 0.104 0.000 0.996 54 V HN 0.578 nan 8.190 nan 0.000 0.426 55 D N 4.571 125.074 120.400 0.171 0.000 2.210 55 D HA 0.618 5.258 4.640 0.000 0.000 0.249 55 D C -0.470 175.996 176.300 0.277 0.000 1.062 55 D CA -0.019 54.164 54.000 0.306 0.000 0.891 55 D CB 2.112 43.102 40.800 0.316 0.000 1.186 55 D HN 0.324 nan 8.370 nan 0.000 0.432 56 L N 2.434 123.893 121.223 0.393 0.000 2.376 56 L HA 0.511 4.851 4.340 0.000 0.000 0.275 56 L C 0.132 177.234 176.870 0.388 0.000 0.987 56 L CA -0.642 54.388 54.840 0.317 0.000 0.828 56 L CB 1.704 43.948 42.059 0.309 0.000 1.249 56 L HN 0.055 nan 8.230 nan 0.000 0.409 57 R N 1.962 122.601 120.500 0.232 0.000 2.686 57 R HA 0.882 5.223 4.340 0.000 0.000 0.283 57 R C -0.470 175.919 176.300 0.148 0.000 0.978 57 R CA -0.870 55.351 56.100 0.201 0.000 0.897 57 R CB 2.572 32.894 30.300 0.038 0.000 1.192 57 R HN 0.819 nan 8.270 nan 0.000 0.457 58 G N -0.257 108.644 108.800 0.168 0.000 2.345 58 G HA2 -0.096 3.864 3.960 0.000 0.000 0.310 58 G HA3 -0.096 3.864 3.960 0.000 0.000 0.310 58 G C 0.192 175.186 174.900 0.156 0.000 1.476 58 G CA -0.233 44.942 45.100 0.126 0.000 0.978 58 G HN 0.515 nan 8.290 nan 0.000 0.656 59 S N -0.721 115.055 115.700 0.127 0.000 2.474 59 S HA -0.027 4.443 4.470 0.000 0.000 0.235 59 S C 1.574 176.265 174.600 0.151 0.000 0.997 59 S CA 1.196 59.479 58.200 0.139 0.000 0.949 59 S CB -0.031 63.233 63.200 0.107 0.000 0.766 59 S HN 0.632 nan 8.310 nan 0.000 0.517 60 R N 0.698 121.291 120.500 0.155 0.000 2.427 60 R HA 0.239 4.579 4.340 0.000 0.000 0.262 60 R C 1.158 177.535 176.300 0.129 0.000 0.943 60 R CA 0.388 56.593 56.100 0.175 0.000 1.081 60 R CB -0.258 30.206 30.300 0.274 0.000 1.166 60 R HN 0.363 nan 8.270 nan 0.000 0.534 61 T N 1.113 115.748 114.554 0.135 0.000 2.720 61 T HA -0.203 4.148 4.350 0.000 0.000 0.268 61 T C 1.780 176.371 174.700 -0.182 0.000 1.037 61 T CA 1.292 63.442 62.100 0.083 0.000 1.144 61 T CB -0.054 68.946 68.868 0.219 0.000 0.864 61 T HN 0.315 nan 8.240 nan 0.000 0.444 62 R N 0.856 121.270 120.500 -0.143 0.000 2.066 62 R HA -0.099 4.241 4.340 0.000 0.000 0.232 62 R C 2.489 178.647 176.300 -0.236 0.000 1.131 62 R CA 1.709 57.625 56.100 -0.306 0.000 0.955 62 R CB -0.233 30.099 30.300 0.053 0.000 0.851 62 R HN 0.511 nan 8.270 nan 0.000 0.432 63 E N -0.324 119.818 120.200 -0.097 0.000 2.065 63 E HA -0.272 4.078 4.350 0.000 0.000 0.201 63 E C 1.754 178.180 176.600 -0.289 0.000 1.016 63 E CA 1.829 58.177 56.400 -0.088 0.000 0.818 63 E CB -0.315 29.424 29.700 0.066 0.000 0.749 63 E HN 0.357 nan 8.360 nan 0.000 0.453 64 F N 1.257 120.799 119.950 -0.680 0.000 2.095 64 F HA -0.182 4.345 4.527 0.000 0.000 0.298 64 F C 1.913 177.401 175.800 -0.520 0.000 1.104 64 F CA 1.522 58.881 58.000 -1.069 0.000 1.232 64 F CB -0.488 38.001 39.000 -0.851 0.000 0.987 64 F HN 0.023 nan 8.300 nan 0.000 0.475 65 L N 0.063 120.844 121.223 -0.736 0.000 2.141 65 L HA -0.149 4.191 4.340 0.000 0.000 0.209 65 L C 2.578 179.132 176.870 -0.527 0.000 1.094 65 L CA 1.155 55.529 54.840 -0.776 0.000 0.763 65 L CB -0.593 41.047 42.059 -0.698 0.000 0.908 65 L HN 0.056 nan 8.230 nan 0.000 0.437 66 R N -1.309 118.973 120.500 -0.363 0.000 2.237 66 R HA -0.186 4.154 4.340 0.000 0.000 0.219 66 R C 1.953 178.198 176.300 -0.091 0.000 1.080 66 R CA 1.127 57.100 56.100 -0.212 0.000 0.995 66 R CB -0.185 30.044 30.300 -0.118 0.000 0.875 66 R HN 0.345 nan 8.270 nan 0.000 0.462 67 Y N 0.312 120.452 120.300 -0.267 0.000 2.441 67 Y HA 0.029 4.579 4.550 0.000 0.000 0.288 67 Y C 1.824 177.627 175.900 -0.162 0.000 1.118 67 Y CA 0.279 58.304 58.100 -0.125 0.000 1.215 67 Y CB -0.050 38.362 38.460 -0.081 0.000 1.118 67 Y HN -0.093 nan 8.280 nan 0.000 0.547 68 L N 0.305 121.217 121.223 -0.518 0.000 2.093 68 L HA 0.070 4.411 4.340 0.000 0.000 0.208 68 L C 0.148 176.773 176.870 -0.409 0.000 1.085 68 L CA 1.384 55.879 54.840 -0.576 0.000 0.755 68 L CB -0.303 41.247 42.059 -0.848 0.000 0.904 68 L HN 0.089 nan 8.230 nan 0.000 0.435 69 L N -1.944 119.017 121.223 -0.435 0.000 2.322 69 L HA 0.474 4.814 4.340 0.000 0.000 0.269 69 L C 1.123 177.590 176.870 -0.672 0.000 1.012 69 L CA -0.065 54.498 54.840 -0.462 0.000 0.815 69 L CB 1.410 43.193 42.059 -0.459 0.000 1.295 69 L HN -0.089 nan 8.230 nan 0.000 0.438 70 A N 0.809 123.146 122.820 -0.805 0.000 2.044 70 A HA 0.029 4.350 4.320 0.000 0.000 0.213 70 A C 1.003 177.866 177.584 -1.201 0.000 1.169 70 A CA 0.351 51.519 52.037 -1.448 0.000 0.724 70 A CB -0.208 18.245 19.000 -0.913 0.000 0.840 70 A HN 0.749 nan 8.150 nan 0.000 0.463 71 N N 0.752 118.990 118.700 -0.771 0.000 2.317 71 N HA 0.126 4.866 4.740 0.000 0.000 0.245 71 N C -1.343 173.856 175.510 -0.518 0.000 1.294 71 N CA 0.036 52.730 53.050 -0.594 0.000 0.924 71 N CB 0.551 38.751 38.487 -0.479 0.000 1.186 71 N HN 0.174 nan 8.380 nan 0.000 0.495 72 D N 0.341 120.522 120.400 -0.365 0.000 2.440 72 D HA 0.149 4.789 4.640 0.000 0.000 0.239 72 D C 1.050 177.222 176.300 -0.213 0.000 1.084 72 D CA -0.603 53.231 54.000 -0.277 0.000 0.843 72 D CB 0.957 41.638 40.800 -0.199 0.000 1.097 72 D HN 0.262 nan 8.370 nan 0.000 0.531 73 V N 2.495 122.283 119.914 -0.211 0.000 3.078 73 V HA -0.010 4.110 4.120 0.000 0.000 0.265 73 V C 1.987 178.022 176.094 -0.099 0.000 1.122 73 V CA 1.435 63.655 62.300 -0.133 0.000 1.141 73 V CB -0.967 30.778 31.823 -0.129 0.000 0.735 73 V HN 0.496 nan 8.190 nan 0.000 0.498 74 A N 0.754 123.505 122.820 -0.114 0.000 2.076 74 A HA -0.190 4.131 4.320 0.000 0.000 0.220 74 A C 2.233 179.749 177.584 -0.113 0.000 1.160 74 A CA 1.983 53.959 52.037 -0.100 0.000 0.653 74 A CB -0.597 18.361 19.000 -0.070 0.000 0.801 74 A HN 0.631 nan 8.150 nan 0.000 0.455 75 K N -0.550 119.783 120.400 -0.111 0.000 2.360 75 K HA 0.014 4.335 4.320 0.000 0.000 0.201 75 K C -0.225 176.304 176.600 -0.119 0.000 1.046 75 K CA 0.380 56.607 56.287 -0.100 0.000 0.945 75 K CB -0.298 32.143 32.500 -0.099 0.000 0.750 75 K HN 0.465 nan 8.250 nan 0.000 0.464 76 L N 2.078 123.201 121.223 -0.166 0.000 2.334 76 L HA 0.087 4.427 4.340 0.000 0.000 0.286 76 L C 1.092 177.745 176.870 -0.362 0.000 1.108 76 L CA -0.307 54.408 54.840 -0.208 0.000 0.875 76 L CB 0.492 42.456 42.059 -0.158 0.000 1.246 76 L HN 0.137 nan 8.230 nan 0.000 0.439 77 T N -2.017 112.444 114.554 -0.156 0.000 3.001 77 T HA 0.166 4.517 4.350 0.000 0.000 0.251 77 T C 0.627 175.397 174.700 0.116 0.000 1.040 77 T CA -0.193 61.841 62.100 -0.111 0.000 0.985 77 T CB 0.215 69.062 68.868 -0.035 0.000 1.011 77 T HN 0.221 nan 8.240 nan 0.000 0.509 78 K N 1.884 122.426 120.400 0.236 0.000 2.274 78 K HA 0.590 4.910 4.320 0.000 0.000 0.262 78 K C -0.259 176.608 176.600 0.444 0.000 0.961 78 K CA -0.314 56.188 56.287 0.358 0.000 0.833 78 K CB 1.872 34.638 32.500 0.443 0.000 1.102 78 K HN 0.050 nan 8.250 nan 0.000 0.436 79 S N 1.602 117.492 115.700 0.317 0.000 2.593 79 S HA 0.216 4.686 4.470 0.000 0.000 0.300 79 S C 1.306 176.044 174.600 0.229 0.000 1.267 79 S CA 1.663 59.895 58.200 0.054 0.000 1.065 79 S CB -0.301 62.910 63.200 0.018 0.000 0.807 79 S HN 0.873 nan 8.310 nan 0.000 0.499 80 G N 3.679 112.547 108.800 0.113 0.000 2.241 80 G HA2 -0.256 3.705 3.960 0.000 0.000 0.244 80 G HA3 -0.256 3.705 3.960 0.000 0.000 0.244 80 G C 0.179 175.082 174.900 0.004 0.000 0.998 80 G CA 0.416 45.678 45.100 0.270 0.000 0.621 80 G HN 0.783 nan 8.290 nan 0.000 0.519 81 K N 1.252 121.445 120.400 -0.344 0.000 2.436 81 K HA 0.536 4.856 4.320 0.000 0.000 0.275 81 K C 0.527 176.885 176.600 -0.404 0.000 0.999 81 K CA 0.536 56.283 56.287 -0.899 0.000 0.980 81 K CB 0.366 32.501 32.500 -0.609 0.000 0.919 81 K HN 0.695 nan 8.250 nan 0.000 0.484 82 A N 3.364 125.959 122.820 -0.374 0.000 2.386 82 A HA 0.716 5.037 4.320 0.000 0.000 0.308 82 A C -1.379 176.159 177.584 -0.076 0.000 1.128 82 A CA -0.890 50.968 52.037 -0.298 0.000 0.789 82 A CB 0.905 19.523 19.000 -0.637 0.000 1.325 82 A HN 0.586 nan 8.150 nan 0.000 0.437 83 L N -2.058 119.117 121.223 -0.080 0.000 2.403 83 L HA 0.793 5.133 4.340 0.000 0.000 0.253 83 L C -0.862 176.038 176.870 0.049 0.000 1.045 83 L CA -0.937 53.886 54.840 -0.029 0.000 0.845 83 L CB 0.992 42.972 42.059 -0.132 0.000 1.447 83 L HN 0.658 nan 8.230 nan 0.000 0.411 84 Y N 0.187 120.395 120.300 -0.153 0.000 2.342 84 Y HA 0.787 5.337 4.550 0.000 0.000 0.334 84 Y C -0.236 175.488 175.900 -0.294 0.000 1.067 84 Y CA -0.249 57.769 58.100 -0.136 0.000 1.128 84 Y CB 1.610 40.000 38.460 -0.117 0.000 1.200 84 Y HN 0.922 nan 8.280 nan 0.000 0.464 85 S N 3.604 118.893 115.700 -0.685 0.000 2.541 85 S HA 0.698 5.168 4.470 0.000 0.000 0.271 85 S C -0.586 173.575 174.600 -0.732 0.000 1.133 85 S CA -0.284 57.499 58.200 -0.695 0.000 0.876 85 S CB 0.869 63.778 63.200 -0.485 0.000 1.105 85 S HN 1.195 nan 8.310 nan 0.000 0.470 86 G N 2.275 110.683 108.800 -0.654 0.000 2.467 86 G HA2 0.501 4.461 3.960 0.000 0.000 0.257 86 G HA3 0.501 4.461 3.960 0.000 0.000 0.257 86 G C -0.552 174.111 174.900 -0.396 0.000 1.227 86 G CA -0.390 44.428 45.100 -0.470 0.000 0.835 86 G HN 0.726 nan 8.290 nan 0.000 0.556 87 M N 2.457 121.865 119.600 -0.319 0.000 2.134 87 M HA 0.533 5.013 4.480 0.000 0.000 0.310 87 M C -1.241 174.891 176.300 -0.279 0.000 0.966 87 M CA -0.601 54.530 55.300 -0.282 0.000 0.922 87 M CB 0.988 33.436 32.600 -0.254 0.000 1.537 87 M HN 0.300 nan 8.290 nan 0.000 0.424 88 L N 3.563 124.656 121.223 -0.218 0.000 2.330 88 L HA 0.589 4.930 4.340 0.000 0.000 0.271 88 L C -0.048 176.693 176.870 -0.216 0.000 1.013 88 L CA -1.231 53.497 54.840 -0.187 0.000 0.816 88 L CB 1.635 43.645 42.059 -0.082 0.000 1.287 88 L HN 0.736 nan 8.230 nan 0.000 0.435 89 N N 0.883 119.436 118.700 -0.245 0.000 2.366 89 N HA 0.236 4.976 4.740 0.000 0.000 0.277 89 N C 0.604 176.124 175.510 0.017 0.000 1.275 89 N CA -0.086 52.856 53.050 -0.181 0.000 0.964 89 N CB 0.504 38.851 38.487 -0.233 0.000 1.167 89 N HN 0.645 nan 8.380 nan 0.000 0.568 90 A N -0.827 122.061 122.820 0.112 0.000 2.067 90 A HA -0.035 4.285 4.320 0.000 0.000 0.219 90 A C 1.716 179.331 177.584 0.051 0.000 1.158 90 A CA 0.995 53.093 52.037 0.102 0.000 0.661 90 A CB -0.918 18.170 19.000 0.146 0.000 0.801 90 A HN 0.637 nan 8.150 nan 0.000 0.452 91 S N -1.507 114.216 115.700 0.037 0.000 2.603 91 S HA 0.325 4.796 4.470 0.000 0.000 0.220 91 S C 1.478 176.089 174.600 0.018 0.000 0.967 91 S CA 0.806 59.023 58.200 0.027 0.000 0.920 91 S CB -0.043 63.172 63.200 0.025 0.000 0.773 91 S HN 1.512 nan 8.310 nan 0.000 0.529 92 G N 1.107 109.910 108.800 0.005 0.000 2.179 92 G HA2 -0.191 3.769 3.960 0.000 0.000 0.260 92 G HA3 -0.191 3.769 3.960 0.000 0.000 0.260 92 G C 0.340 175.235 174.900 -0.008 0.000 0.977 92 G CA -0.166 44.938 45.100 0.007 0.000 0.641 92 G HN 0.799 nan 8.290 nan 0.000 0.533 93 G N -1.049 107.736 108.800 -0.025 0.000 2.599 93 G HA2 0.570 4.530 3.960 0.000 0.000 0.264 93 G HA3 0.570 4.530 3.960 0.000 0.000 0.264 93 G C 0.063 174.928 174.900 -0.058 0.000 1.200 93 G CA 0.138 45.220 45.100 -0.030 0.000 0.896 93 G HN 0.932 nan 8.290 nan 0.000 0.536 94 V N 1.817 121.718 119.914 -0.023 0.000 2.364 94 V HA 0.148 4.268 4.120 0.000 0.000 0.272 94 V C 1.149 177.278 176.094 0.058 0.000 1.036 94 V CA -0.213 62.085 62.300 -0.002 0.000 0.880 94 V CB 0.950 32.812 31.823 0.065 0.000 0.991 94 V HN 0.678 nan 8.190 nan 0.000 0.460 95 I N 2.106 122.579 120.570 -0.162 0.000 2.333 95 I HA 0.075 4.246 4.170 0.000 0.000 0.246 95 I C 0.702 176.541 176.117 -0.463 0.000 1.106 95 I CA 1.257 62.375 61.300 -0.303 0.000 1.411 95 I CB 0.236 37.867 38.000 -0.614 0.000 1.082 95 I HN 0.604 nan 8.210 nan 0.000 0.420 96 D N -0.254 119.905 120.400 -0.401 0.000 2.623 96 D HA 0.175 4.816 4.640 0.000 0.000 0.241 96 D C -1.677 174.469 176.300 -0.257 0.000 1.241 96 D CA -0.622 53.063 54.000 -0.524 0.000 0.788 96 D CB 1.249 41.759 40.800 -0.483 0.000 1.413 96 D HN -0.018 nan 8.370 nan 0.000 0.429 97 N N 1.256 119.863 118.700 -0.155 0.000 2.456 97 N HA 0.586 5.326 4.740 0.000 0.000 0.288 97 N C -0.608 174.804 175.510 -0.164 0.000 1.059 97 N CA -0.444 52.481 53.050 -0.209 0.000 0.946 97 N CB 1.361 39.821 38.487 -0.045 0.000 1.150 97 N HN 0.393 nan 8.380 nan 0.000 0.479 98 L N -1.636 119.444 121.223 -0.238 0.000 2.397 98 L HA 0.731 5.072 4.340 0.000 0.000 0.251 98 L C -0.757 176.096 176.870 -0.028 0.000 1.064 98 L CA -1.135 53.646 54.840 -0.099 0.000 0.859 98 L CB 0.989 42.974 42.059 -0.124 0.000 1.468 98 L HN 0.394 nan 8.230 nan 0.000 0.411 99 I N 1.177 121.753 120.570 0.010 0.000 2.493 99 I HA 0.691 4.861 4.170 0.000 0.000 0.298 99 I C -0.917 175.131 176.117 -0.115 0.000 0.998 99 I CA -1.109 60.184 61.300 -0.012 0.000 1.137 99 I CB 2.102 40.089 38.000 -0.021 0.000 1.310 99 I HN 0.510 nan 8.210 nan 0.000 0.445 100 V N 7.012 126.801 119.914 -0.207 0.000 2.656 100 V HA 0.506 4.626 4.120 0.000 0.000 0.307 100 V C -1.528 174.368 176.094 -0.330 0.000 1.051 100 V CA -0.307 61.898 62.300 -0.158 0.000 0.893 100 V CB 2.015 33.780 31.823 -0.095 0.000 0.999 100 V HN 0.517 nan 8.190 nan 0.000 0.426 101 Y N 5.348 125.567 120.300 -0.135 0.000 2.387 101 Y HA 0.535 5.085 4.550 0.000 0.000 0.336 101 Y C -0.496 175.047 175.900 -0.596 0.000 1.067 101 Y CA -0.496 57.372 58.100 -0.386 0.000 1.114 101 Y CB 1.685 39.753 38.460 -0.653 0.000 1.208 101 Y HN 0.735 nan 8.280 nan 0.000 0.458 102 Y N 3.068 122.985 120.300 -0.638 0.000 2.326 102 Y HA 0.387 4.937 4.550 0.000 0.000 0.337 102 Y C -0.907 174.413 175.900 -0.966 0.000 1.023 102 Y CA -1.348 56.144 58.100 -1.012 0.000 1.143 102 Y CB 0.329 38.400 38.460 -0.648 0.000 1.183 102 Y HN 0.580 nan 8.280 nan 0.000 0.485 103 F N 1.393 120.700 119.950 -1.072 0.000 2.479 103 F HA 0.245 4.772 4.527 -0.000 0.000 0.280 103 F C 1.104 176.305 175.800 -0.998 0.000 0.982 103 F CA 0.767 58.226 58.000 -0.901 0.000 1.276 103 F CB -0.385 38.169 39.000 -0.743 0.000 1.137 103 F HN 0.467 nan 8.300 nan 0.000 0.660 104 T N -3.205 111.036 114.554 -0.521 0.000 2.838 104 T HA 0.298 4.648 4.350 0.000 0.000 0.292 104 T C 0.698 175.427 174.700 0.048 0.000 1.113 104 T CA -0.590 61.374 62.100 -0.227 0.000 1.008 104 T CB 1.952 70.856 68.868 0.060 0.000 1.259 104 T HN -0.103 nan 8.240 nan 0.000 0.520 105 E N 0.583 120.953 120.200 0.284 0.000 2.171 105 E HA -0.133 4.217 4.350 0.000 0.000 0.197 105 E C 0.602 177.447 176.600 0.408 0.000 0.997 105 E CA 1.492 58.120 56.400 0.380 0.000 0.810 105 E CB -0.194 29.667 29.700 0.267 0.000 0.738 105 E HN 0.618 nan 8.360 nan 0.000 0.467 106 D N -1.265 119.327 120.400 0.320 0.000 2.388 106 D HA 0.071 4.711 4.640 0.000 0.000 0.221 106 D C -0.614 175.952 176.300 0.443 0.000 1.133 106 D CA -0.048 54.153 54.000 0.335 0.000 0.831 106 D CB 0.121 41.050 40.800 0.215 0.000 0.962 106 D HN -0.041 nan 8.370 nan 0.000 0.502 107 F N 1.137 121.242 119.950 0.259 0.000 2.787 107 F HA 0.411 4.938 4.527 0.000 0.000 0.340 107 F C -1.978 173.954 175.800 0.220 0.000 1.232 107 F CA -1.522 56.631 58.000 0.256 0.000 1.051 107 F CB 0.248 39.350 39.000 0.170 0.000 1.330 107 F HN -0.346 nan 8.300 nan 0.000 0.522 108 F N 4.346 124.411 119.950 0.191 0.000 2.631 108 F HA 0.729 5.256 4.527 0.001 0.000 0.328 108 F C -0.322 175.438 175.800 -0.067 0.000 1.067 108 F CA -0.937 56.991 58.000 -0.120 0.000 0.969 108 F CB 1.980 40.983 39.000 0.006 0.000 1.332 108 F HN 0.459 nan 8.300 nan 0.000 0.490 109 R N 1.662 122.203 120.500 0.068 0.000 2.621 109 R HA 0.731 5.071 4.340 0.000 0.000 0.284 109 R C -2.237 174.186 176.300 0.204 0.000 0.998 109 R CA -0.526 55.678 56.100 0.173 0.000 0.895 109 R CB 1.531 31.912 30.300 0.136 0.000 1.195 109 R HN 0.740 nan 8.270 nan 0.000 0.450 110 L N 3.404 124.724 121.223 0.163 0.000 2.334 110 L HA 0.663 5.003 4.340 0.000 0.000 0.272 110 L C -0.702 176.238 176.870 0.117 0.000 1.020 110 L CA -1.353 53.554 54.840 0.113 0.000 0.812 110 L CB 2.169 44.268 42.059 0.067 0.000 1.264 110 L HN 0.337 nan 8.230 nan 0.000 0.439 111 V N 2.443 122.415 119.914 0.096 0.000 2.483 111 V HA 0.497 4.617 4.120 0.000 0.000 0.297 111 V C -0.256 175.842 176.094 0.006 0.000 1.027 111 V CA -0.654 61.689 62.300 0.073 0.000 0.855 111 V CB 2.094 33.998 31.823 0.135 0.000 0.995 111 V HN 0.528 nan 8.190 nan 0.000 0.424 112 V N 1.582 121.481 119.914 -0.024 0.000 2.864 112 V HA 0.684 4.805 4.120 0.000 0.000 0.314 112 V C -0.028 176.000 176.094 -0.109 0.000 1.073 112 V CA -1.149 61.109 62.300 -0.070 0.000 0.956 112 V CB 1.944 33.728 31.823 -0.065 0.000 1.023 112 V HN 0.700 nan 8.190 nan 0.000 0.435 113 N N 1.843 120.458 118.700 -0.143 0.000 2.345 113 N HA 0.009 4.749 4.740 0.000 0.000 0.243 113 N C 1.441 176.844 175.510 -0.178 0.000 1.246 113 N CA 0.885 53.830 53.050 -0.175 0.000 0.863 113 N CB 1.192 39.586 38.487 -0.155 0.000 1.096 113 N HN 0.954 nan 8.380 nan 0.000 0.446 114 S N 1.788 117.343 115.700 -0.241 0.000 2.359 114 S HA -0.184 4.287 4.470 0.000 0.000 0.224 114 S C 1.751 176.301 174.600 -0.085 0.000 1.035 114 S CA 1.543 59.646 58.200 -0.161 0.000 1.018 114 S CB -0.135 62.928 63.200 -0.229 0.000 0.876 114 S HN 0.684 nan 8.310 nan 0.000 0.448 115 A N 0.142 122.809 122.820 -0.256 0.000 2.015 115 A HA -0.004 4.316 4.320 0.000 0.000 0.219 115 A C 2.082 179.549 177.584 -0.195 0.000 1.163 115 A CA 1.877 53.656 52.037 -0.431 0.000 0.646 115 A CB -0.765 17.744 19.000 -0.818 0.000 0.806 115 A HN 0.733 nan 8.150 nan 0.000 0.448 116 T N -3.627 110.822 114.554 -0.174 0.000 3.134 116 T HA 0.200 4.550 4.350 0.000 0.000 0.260 116 T C 1.453 176.091 174.700 -0.103 0.000 1.027 116 T CA 0.242 62.237 62.100 -0.175 0.000 0.913 116 T CB 0.050 68.712 68.868 -0.343 0.000 1.046 116 T HN 0.488 nan 8.240 nan 0.000 0.553 117 R N 1.747 122.218 120.500 -0.048 0.000 2.094 117 R HA -0.149 4.191 4.340 0.000 0.000 0.239 117 R C 1.878 178.193 176.300 0.024 0.000 1.137 117 R CA 1.832 57.933 56.100 0.002 0.000 0.943 117 R CB -0.146 30.192 30.300 0.063 0.000 0.850 117 R HN 0.279 nan 8.270 nan 0.000 0.433 118 E N 0.686 120.907 120.200 0.034 0.000 2.072 118 E HA -0.187 4.163 4.350 0.000 0.000 0.190 118 E C 1.871 178.503 176.600 0.053 0.000 0.982 118 E CA 1.026 57.455 56.400 0.048 0.000 0.803 118 E CB -0.225 29.502 29.700 0.046 0.000 0.755 118 E HN 0.410 nan 8.360 nan 0.000 0.453 119 K N 0.948 121.366 120.400 0.030 0.000 2.057 119 K HA -0.180 4.141 4.320 0.000 0.000 0.207 119 K C 1.399 178.043 176.600 0.073 0.000 1.049 119 K CA 1.669 57.980 56.287 0.040 0.000 0.931 119 K CB 0.073 32.563 32.500 -0.016 0.000 0.714 119 K HN -0.104 nan 8.250 nan 0.000 0.440 120 D N 0.918 121.331 120.400 0.022 0.000 2.117 120 D HA -0.118 4.522 4.640 0.000 0.000 0.198 120 D C 2.000 178.390 176.300 0.151 0.000 0.982 120 D CA 0.895 54.929 54.000 0.057 0.000 0.828 120 D CB -0.129 40.658 40.800 -0.021 0.000 0.967 120 D HN 0.207 nan 8.370 nan 0.000 0.464 121 L N 0.440 121.729 121.223 0.110 0.000 2.042 121 L HA -0.170 4.170 4.340 0.000 0.000 0.210 121 L C 2.441 179.396 176.870 0.143 0.000 1.076 121 L CA 0.992 55.902 54.840 0.116 0.000 0.749 121 L CB -0.384 41.725 42.059 0.082 0.000 0.893 121 L HN -0.029 nan 8.230 nan 0.000 0.432 122 S N -1.170 114.621 115.700 0.152 0.000 2.368 122 S HA -0.206 4.265 4.470 0.000 0.000 0.225 122 S C 1.587 176.330 174.600 0.238 0.000 1.030 122 S CA 1.093 59.387 58.200 0.158 0.000 0.999 122 S CB -0.363 62.928 63.200 0.153 0.000 0.844 122 S HN 0.524 nan 8.310 nan 0.000 0.459 123 W N 1.950 123.313 121.300 0.105 0.000 2.355 123 W HA -0.107 4.553 4.660 0.000 0.000 0.309 123 W C 1.699 178.395 176.519 0.295 0.000 1.206 123 W CA 1.031 58.494 57.345 0.197 0.000 1.284 123 W CB -0.357 29.172 29.460 0.114 0.000 1.145 123 W HN 0.265 nan 8.180 nan 0.000 0.502 124 I N 1.075 121.872 120.570 0.379 0.000 2.142 124 I HA -0.355 3.815 4.170 0.000 0.000 0.240 124 I C 2.665 178.894 176.117 0.187 0.000 1.078 124 I CA 2.242 63.742 61.300 0.333 0.000 1.343 124 I CB -0.937 37.241 38.000 0.296 0.000 1.046 124 I HN -0.054 nan 8.210 nan 0.000 0.405 125 T N -1.555 113.060 114.554 0.101 0.000 2.867 125 T HA -0.260 4.090 4.350 0.000 0.000 0.268 125 T C 1.788 176.456 174.700 -0.054 0.000 1.057 125 T CA 1.343 63.447 62.100 0.006 0.000 1.136 125 T CB -0.480 68.395 68.868 0.011 0.000 0.874 125 T HN 0.417 nan 8.240 nan 0.000 0.466 126 Q N 0.497 120.256 119.800 -0.069 0.000 2.030 126 Q HA -0.232 4.109 4.340 0.000 0.000 0.204 126 Q C 2.114 177.916 176.000 -0.330 0.000 0.986 126 Q CA 1.983 57.647 55.803 -0.232 0.000 0.843 126 Q CB -0.240 28.304 28.738 -0.323 0.000 0.904 126 Q HN 0.801 nan 8.270 nan 0.000 0.420 127 H N -0.977 118.009 119.070 -0.139 0.000 2.482 127 H HA 0.167 4.724 4.556 0.000 0.000 0.286 127 H C 1.713 177.104 175.328 0.106 0.000 1.017 127 H CA 0.963 57.027 56.048 0.027 0.000 1.322 127 H CB 0.115 29.901 29.762 0.040 0.000 1.426 127 H HN 0.418 nan 8.280 nan 0.000 0.546 128 A N 0.701 123.400 122.820 -0.201 0.000 1.968 128 A HA -0.170 4.150 4.320 0.000 0.000 0.217 128 A C 2.124 179.550 177.584 -0.263 0.000 1.169 128 A CA 1.386 52.921 52.037 -0.837 0.000 0.638 128 A CB -0.299 18.139 19.000 -0.937 0.000 0.812 128 A HN 0.505 nan 8.150 nan 0.000 0.446 129 E N 0.063 120.162 120.200 -0.168 0.000 2.086 129 E HA -0.188 4.162 4.350 0.000 0.000 0.200 129 E C -0.750 175.766 176.600 -0.140 0.000 1.012 129 E CA 1.681 58.000 56.400 -0.135 0.000 0.812 129 E CB -0.567 29.059 29.700 -0.123 0.000 0.743 129 E HN 0.482 nan 8.360 nan 0.000 0.453 130 P HA -0.099 nan 4.420 nan 0.000 0.230 130 P C 0.389 177.435 177.300 -0.422 0.000 1.158 130 P CA 0.970 63.878 63.100 -0.319 0.000 0.769 130 P CB -0.138 31.300 31.700 -0.435 0.000 0.807 131 F N -0.468 119.398 119.950 -0.140 0.000 2.797 131 F HA 0.336 4.863 4.527 0.001 0.000 0.302 131 F C 1.748 177.487 175.800 -0.102 0.000 1.130 131 F CA 0.602 58.538 58.000 -0.106 0.000 1.387 131 F CB -0.771 38.171 39.000 -0.097 0.000 1.107 131 F HN -0.022 nan 8.300 nan 0.000 0.577 132 G N 1.387 110.183 108.800 -0.007 0.000 2.221 132 G HA2 -0.272 3.688 3.960 0.000 0.000 0.265 132 G HA3 -0.272 3.688 3.960 0.000 0.000 0.265 132 G C 0.066 174.963 174.900 -0.004 0.000 1.041 132 G CA -0.299 44.792 45.100 -0.016 0.000 0.807 132 G HN 0.121 nan 8.290 nan 0.000 0.502 133 I N 0.556 121.101 120.570 -0.042 0.000 2.496 133 I HA 0.224 4.394 4.170 0.000 0.000 0.285 133 I C 0.908 177.008 176.117 -0.027 0.000 1.080 133 I CA -0.910 60.366 61.300 -0.039 0.000 1.404 133 I CB 1.060 38.974 38.000 -0.142 0.000 1.403 133 I HN 0.379 nan 8.210 nan 0.000 0.539 134 E N 6.854 127.058 120.200 0.008 0.000 2.180 134 E HA 0.306 4.656 4.350 0.000 0.000 0.283 134 E C -0.994 175.621 176.600 0.026 0.000 1.061 134 E CA -0.325 56.078 56.400 0.005 0.000 0.861 134 E CB 0.558 30.259 29.700 0.000 0.000 1.056 134 E HN 0.455 nan 8.360 nan 0.000 0.407 135 I N 4.272 124.852 120.570 0.016 0.000 2.362 135 I HA 0.190 4.360 4.170 0.000 0.000 0.289 135 I C -0.414 175.727 176.117 0.040 0.000 0.994 135 I CA -0.427 60.898 61.300 0.042 0.000 1.158 135 I CB 2.004 40.019 38.000 0.025 0.000 1.315 135 I HN 0.397 nan 8.210 nan 0.000 0.451 136 T N 5.628 120.217 114.554 0.058 0.000 2.786 136 T HA 0.358 4.708 4.350 0.000 0.000 0.283 136 T C -0.180 174.550 174.700 0.050 0.000 0.992 136 T CA -0.477 61.646 62.100 0.039 0.000 0.954 136 T CB 1.691 70.570 68.868 0.018 0.000 0.934 136 T HN 0.125 nan 8.240 nan 0.000 0.440 137 V N 5.186 125.126 119.914 0.042 0.000 2.389 137 V HA 0.244 4.364 4.120 0.000 0.000 0.264 137 V C 0.879 176.995 176.094 0.037 0.000 1.049 137 V CA -0.643 61.685 62.300 0.047 0.000 0.932 137 V CB 0.302 32.155 31.823 0.050 0.000 1.011 137 V HN 0.673 nan 8.190 nan 0.000 0.475 138 R N 3.069 123.589 120.500 0.034 0.000 4.792 138 R HA 0.138 4.478 4.340 0.000 0.000 0.205 138 R C 0.259 176.578 176.300 0.031 0.000 1.875 138 R CA -0.163 55.949 56.100 0.020 0.000 1.588 138 R CB -0.389 29.910 30.300 -0.002 0.000 1.401 138 R HN 0.612 nan 8.270 nan 0.000 0.834 139 D N 0.802 121.229 120.400 0.045 0.000 2.378 139 D HA -0.113 4.527 4.640 0.000 0.000 0.227 139 D C 1.159 177.494 176.300 0.058 0.000 1.012 139 D CA 0.743 54.783 54.000 0.066 0.000 0.905 139 D CB 0.231 41.080 40.800 0.082 0.000 0.895 139 D HN 0.443 nan 8.370 nan 0.000 0.532 140 D N -0.139 120.282 120.400 0.036 0.000 2.371 140 D HA -0.116 4.525 4.640 0.000 0.000 0.221 140 D C 0.602 176.916 176.300 0.023 0.000 0.986 140 D CA 0.215 54.231 54.000 0.027 0.000 0.899 140 D CB 0.314 41.120 40.800 0.010 0.000 0.902 140 D HN 0.214 nan 8.370 nan 0.000 0.530 141 L N 0.559 121.797 121.223 0.024 0.000 2.334 141 L HA 0.332 4.673 4.340 0.000 0.000 0.276 141 L C 0.165 177.059 176.870 0.040 0.000 1.014 141 L CA -0.655 54.195 54.840 0.017 0.000 0.815 141 L CB 2.103 44.160 42.059 -0.003 0.000 1.268 141 L HN -0.168 nan 8.230 nan 0.000 0.428 142 S N 2.474 118.201 115.700 0.046 0.000 2.747 142 S HA 0.754 5.224 4.470 0.000 0.000 0.300 142 S C -0.655 173.995 174.600 0.084 0.000 1.121 142 S CA -0.620 57.622 58.200 0.070 0.000 0.995 142 S CB 1.940 65.186 63.200 0.078 0.000 1.113 142 S HN 0.580 nan 8.310 nan 0.000 0.547 143 M N 1.855 121.530 119.600 0.126 0.000 2.365 143 M HA 0.532 5.012 4.480 0.000 0.000 0.287 143 M C -2.326 174.118 176.300 0.240 0.000 1.154 143 M CA -0.287 55.108 55.300 0.157 0.000 0.941 143 M CB 1.221 33.904 32.600 0.139 0.000 1.704 143 M HN 0.574 nan 8.290 nan 0.000 0.479 144 I N 3.296 124.037 120.570 0.285 0.000 2.436 144 I HA 0.609 4.780 4.170 0.000 0.000 0.289 144 I C -0.251 176.075 176.117 0.348 0.000 1.010 144 I CA -0.693 60.844 61.300 0.395 0.000 1.098 144 I CB 2.135 40.432 38.000 0.496 0.000 1.266 144 I HN 0.772 nan 8.210 nan 0.000 0.434 145 A N 6.794 129.841 122.820 0.377 0.000 2.252 145 A HA 0.689 5.009 4.320 0.000 0.000 0.309 145 A C -0.511 177.283 177.584 0.351 0.000 1.285 145 A CA -0.415 51.825 52.037 0.338 0.000 0.900 145 A CB 0.453 19.639 19.000 0.311 0.000 1.157 145 A HN 0.457 nan 8.150 nan 0.000 0.536 146 V N 4.322 124.391 119.914 0.257 0.000 2.370 146 V HA 0.458 4.578 4.120 0.000 0.000 0.283 146 V C -0.386 175.776 176.094 0.112 0.000 1.023 146 V CA -0.510 61.883 62.300 0.156 0.000 0.857 146 V CB 1.000 32.899 31.823 0.127 0.000 0.985 146 V HN 0.917 nan 8.190 nan 0.000 0.443 147 Q N 2.583 122.448 119.800 0.108 0.000 2.389 147 Q HA 0.815 5.155 4.340 0.000 0.000 0.277 147 Q C 0.032 176.039 176.000 0.011 0.000 1.082 147 Q CA -0.231 55.620 55.803 0.079 0.000 0.810 147 Q CB 2.875 31.720 28.738 0.178 0.000 1.374 147 Q HN 1.129 nan 8.270 nan 0.000 0.422 148 G N 1.660 110.438 108.800 -0.036 0.000 2.357 148 G HA2 -0.047 3.914 3.960 0.000 0.000 0.643 148 G HA3 -0.047 3.914 3.960 0.000 0.000 0.643 148 G C -2.504 172.342 174.900 -0.090 0.000 1.358 148 G CA -0.623 44.436 45.100 -0.069 0.000 0.986 148 G HN 0.344 nan 8.290 nan 0.000 0.620 149 P HA -0.029 nan 4.420 nan 0.000 0.222 149 P C 0.794 178.034 177.300 -0.099 0.000 1.147 149 P CA 1.014 64.060 63.100 -0.089 0.000 0.790 149 P CB 0.132 31.784 31.700 -0.080 0.000 0.780 150 N N -0.797 117.840 118.700 -0.105 0.000 2.214 150 N HA 0.163 4.903 4.740 0.000 0.000 0.214 150 N C 1.466 176.898 175.510 -0.130 0.000 1.132 150 N CA 0.171 53.155 53.050 -0.110 0.000 0.856 150 N CB 0.001 38.429 38.487 -0.099 0.000 1.020 150 N HN 0.055 nan 8.380 nan 0.000 0.509 151 A N 1.167 123.903 122.820 -0.140 0.000 1.873 151 A HA -0.166 4.155 4.320 0.000 0.000 0.215 151 A C 2.097 179.562 177.584 -0.197 0.000 1.186 151 A CA 1.170 53.119 52.037 -0.148 0.000 0.616 151 A CB -0.382 18.545 19.000 -0.122 0.000 0.823 151 A HN 0.243 nan 8.150 nan 0.000 0.442 152 Q N -0.640 118.965 119.800 -0.326 0.000 2.096 152 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 152 Q C 2.392 178.297 176.000 -0.158 0.000 0.982 152 Q CA 1.581 57.119 55.803 -0.441 0.000 0.850 152 Q CB -0.389 28.012 28.738 -0.561 0.000 0.901 152 Q HN 0.695 nan 8.270 nan 0.000 0.422 153 A N 1.140 123.872 122.820 -0.146 0.000 1.897 153 A HA -0.159 4.161 4.320 0.000 0.000 0.215 153 A C 1.896 179.389 177.584 -0.152 0.000 1.181 153 A CA 1.243 53.208 52.037 -0.119 0.000 0.620 153 A CB -0.170 18.773 19.000 -0.095 0.000 0.821 153 A HN 0.153 nan 8.150 nan 0.000 0.443 154 K N -0.175 120.133 120.400 -0.154 0.000 2.025 154 K HA -0.001 4.319 4.320 0.000 0.000 0.207 154 K C 2.341 178.810 176.600 -0.219 0.000 1.049 154 K CA 1.065 57.249 56.287 -0.171 0.000 0.933 154 K CB -0.333 32.071 32.500 -0.160 0.000 0.714 154 K HN 0.400 nan 8.250 nan 0.000 0.438 155 A N 1.616 124.319 122.820 -0.194 0.000 1.908 155 A HA -0.167 4.154 4.320 0.000 0.000 0.218 155 A C 2.350 179.528 177.584 -0.676 0.000 1.181 155 A CA 2.000 53.888 52.037 -0.249 0.000 0.627 155 A CB -0.781 18.264 19.000 0.074 0.000 0.818 155 A HN 0.354 nan 8.150 nan 0.000 0.445 156 A N -0.282 122.094 122.820 -0.740 0.000 2.121 156 A HA -0.032 4.288 4.320 0.000 0.000 0.218 156 A C 2.275 179.551 177.584 -0.514 0.000 1.154 156 A CA 2.152 53.537 52.037 -1.087 0.000 0.679 156 A CB -1.346 17.403 19.000 -0.418 0.000 0.795 156 A HN 0.849 nan 8.150 nan 0.000 0.458 157 T N -1.522 112.835 114.554 -0.329 0.000 2.897 157 T HA -0.076 4.274 4.350 0.000 0.000 0.271 157 T C 1.502 176.111 174.700 -0.152 0.000 1.084 157 T CA 1.484 63.471 62.100 -0.187 0.000 1.123 157 T CB -0.532 68.244 68.868 -0.153 0.000 0.865 157 T HN 0.389 nan 8.240 nan 0.000 0.496 158 L N -0.837 120.260 121.223 -0.210 0.000 2.558 158 L HA 0.341 4.681 4.340 0.000 0.000 0.225 158 L C 0.232 177.246 176.870 0.240 0.000 1.128 158 L CA -0.341 54.474 54.840 -0.042 0.000 0.868 158 L CB -0.344 41.605 42.059 -0.184 0.000 1.006 158 L HN 0.165 nan 8.230 nan 0.000 0.454 159 F N 1.637 121.626 119.950 0.064 0.000 2.389 159 F HA 0.163 4.690 4.527 -0.000 0.000 0.337 159 F C 0.988 176.810 175.800 0.036 0.000 1.112 159 F CA -2.015 56.023 58.000 0.064 0.000 1.192 159 F CB -0.056 38.963 39.000 0.031 0.000 1.185 159 F HN 0.101 nan 8.300 nan 0.000 0.552 160 N N 0.578 119.408 118.700 0.216 0.000 2.285 160 N HA 0.013 4.753 4.740 0.000 0.000 0.262 160 N C 0.391 175.960 175.510 0.098 0.000 1.299 160 N CA -0.184 52.935 53.050 0.116 0.000 0.930 160 N CB 0.271 38.797 38.487 0.066 0.000 1.157 160 N HN 0.387 nan 8.380 nan 0.000 0.532 161 D N -0.871 119.563 120.400 0.057 0.000 2.117 161 D HA -0.067 4.573 4.640 0.000 0.000 0.198 161 D C 1.799 178.115 176.300 0.027 0.000 0.982 161 D CA 1.810 55.838 54.000 0.046 0.000 0.828 161 D CB -0.752 40.065 40.800 0.029 0.000 0.967 161 D HN 0.678 nan 8.370 nan 0.000 0.464 162 A N 0.756 123.578 122.820 0.004 0.000 1.902 162 A HA -0.245 4.075 4.320 0.000 0.000 0.217 162 A C 2.143 179.693 177.584 -0.056 0.000 1.181 162 A CA 1.569 53.592 52.037 -0.024 0.000 0.623 162 A CB -0.630 18.349 19.000 -0.035 0.000 0.818 162 A HN 0.212 nan 8.150 nan 0.000 0.443 163 Q N -0.860 118.893 119.800 -0.078 0.000 2.079 163 Q HA -0.121 4.219 4.340 0.000 0.000 0.200 163 Q C 2.379 178.311 176.000 -0.113 0.000 0.974 163 Q CA 1.482 57.158 55.803 -0.213 0.000 0.840 163 Q CB -0.140 28.390 28.738 -0.347 0.000 0.898 163 Q HN 0.619 nan 8.270 nan 0.000 0.430 164 R N 0.276 120.834 120.500 0.097 0.000 2.081 164 R HA -0.207 4.133 4.340 0.000 0.000 0.235 164 R C 2.330 178.671 176.300 0.069 0.000 1.131 164 R CA 1.643 57.850 56.100 0.179 0.000 0.960 164 R CB -0.174 30.228 30.300 0.171 0.000 0.856 164 R HN 0.300 nan 8.270 nan 0.000 0.436 165 Q N 0.545 120.358 119.800 0.022 0.000 2.119 165 Q HA -0.114 4.226 4.340 0.000 0.000 0.201 165 Q C 1.943 177.929 176.000 -0.023 0.000 0.972 165 Q CA 1.682 57.487 55.803 0.003 0.000 0.847 165 Q CB -0.087 28.648 28.738 -0.004 0.000 0.903 165 Q HN 0.340 nan 8.270 nan 0.000 0.433 166 A N 0.365 123.150 122.820 -0.059 0.000 1.972 166 A HA -0.112 4.208 4.320 0.000 0.000 0.219 166 A C 2.002 179.532 177.584 -0.090 0.000 1.169 166 A CA 1.560 53.544 52.037 -0.090 0.000 0.635 166 A CB -0.677 18.237 19.000 -0.145 0.000 0.810 166 A HN 0.559 nan 8.150 nan 0.000 0.446 167 V N -2.304 117.566 119.914 -0.072 0.000 3.649 167 V HA 0.185 4.305 4.120 0.000 0.000 0.275 167 V C 0.224 176.341 176.094 0.038 0.000 1.281 167 V CA -0.194 62.089 62.300 -0.028 0.000 1.143 167 V CB -0.856 30.960 31.823 -0.012 0.000 0.892 167 V HN 0.443 nan 8.190 nan 0.000 0.441 168 E N 1.830 122.042 120.200 0.020 0.000 2.417 168 E HA 0.377 4.727 4.350 0.000 0.000 0.261 168 E C 1.290 177.884 176.600 -0.010 0.000 1.000 168 E CA 0.627 57.040 56.400 0.021 0.000 0.919 168 E CB 0.516 30.221 29.700 0.007 0.000 0.955 168 E HN 0.718 nan 8.360 nan 0.000 0.455 169 G N 3.894 112.693 108.800 -0.001 0.000 2.203 169 G HA2 -0.350 3.610 3.960 0.000 0.000 0.263 169 G HA3 -0.350 3.610 3.960 0.000 0.000 0.263 169 G C 0.276 175.132 174.900 -0.073 0.000 1.012 169 G CA 0.189 45.270 45.100 -0.030 0.000 0.749 169 G HN 0.531 nan 8.290 nan 0.000 0.512 170 M N 0.667 120.246 119.600 -0.036 0.000 2.307 170 M HA 0.232 4.712 4.480 0.000 0.000 0.346 170 M C 0.974 177.258 176.300 -0.026 0.000 1.552 170 M CA 0.463 55.719 55.300 -0.074 0.000 1.116 170 M CB 0.179 32.813 32.600 0.056 0.000 1.889 170 M HN 0.204 nan 8.290 nan 0.000 0.460 171 K N 5.405 125.726 120.400 -0.131 0.000 2.138 171 K HA 0.378 4.698 4.320 0.000 0.000 0.251 171 K C -2.410 174.370 176.600 0.299 0.000 1.015 171 K CA -1.553 54.772 56.287 0.063 0.000 0.917 171 K CB -0.085 32.441 32.500 0.043 0.000 1.021 171 K HN 0.372 nan 8.250 nan 0.000 0.485 172 P HA -0.066 nan 4.420 nan 0.000 0.266 172 P C -0.706 176.935 177.300 0.568 0.000 1.195 172 P CA 0.226 63.555 63.100 0.382 0.000 0.768 172 P CB 0.061 31.954 31.700 0.322 0.000 0.838 173 F N -0.590 119.490 119.950 0.217 0.000 2.905 173 F HA -0.198 4.329 4.527 -0.000 0.000 0.311 173 F C -0.321 175.512 175.800 0.055 0.000 1.005 173 F CA 0.956 59.021 58.000 0.110 0.000 1.029 173 F CB -2.029 36.971 39.000 0.001 0.000 1.151 173 F HN 0.146 nan 8.300 nan 0.000 0.805 174 F N -0.317 119.745 119.950 0.187 0.000 2.603 174 F HA 0.798 5.326 4.527 0.002 0.000 0.317 174 F C 0.587 176.505 175.800 0.197 0.000 1.066 174 F CA -0.698 57.422 58.000 0.201 0.000 0.941 174 F CB 2.228 41.310 39.000 0.136 0.000 1.291 174 F HN 0.012 nan 8.300 nan 0.000 0.472 175 G N 0.747 109.775 108.800 0.380 0.000 2.638 175 G HA2 0.593 4.554 3.960 0.000 0.000 0.302 175 G HA3 0.593 4.554 3.960 0.000 0.000 0.302 175 G C -2.381 172.492 174.900 -0.045 0.000 1.365 175 G CA -0.869 44.169 45.100 -0.103 0.000 0.987 175 G HN 0.668 nan 8.290 nan 0.000 0.495 176 V N 1.392 121.059 119.914 -0.412 0.000 2.808 176 V HA 0.631 4.751 4.120 0.000 0.000 0.308 176 V C -1.005 174.931 176.094 -0.264 0.000 1.099 176 V CA -0.836 61.355 62.300 -0.182 0.000 0.920 176 V CB 2.105 33.854 31.823 -0.123 0.000 1.014 176 V HN 0.839 nan 8.190 nan 0.000 0.425 177 Q N 4.340 124.091 119.800 -0.082 0.000 2.295 177 Q HA 0.721 5.061 4.340 0.000 0.000 0.259 177 Q C -0.419 175.501 176.000 -0.133 0.000 0.976 177 Q CA 0.571 56.344 55.803 -0.051 0.000 0.923 177 Q CB 1.414 30.101 28.738 -0.086 0.000 1.185 177 Q HN 1.081 nan 8.270 nan 0.000 0.410 178 A N 4.153 126.870 122.820 -0.171 0.000 2.522 178 A HA 0.695 5.015 4.320 0.000 0.000 0.285 178 A C 0.466 177.955 177.584 -0.157 0.000 1.198 178 A CA 0.001 51.930 52.037 -0.181 0.000 0.742 178 A CB 0.184 19.023 19.000 -0.268 0.000 1.176 178 A HN 1.130 nan 8.150 nan 0.000 0.444 179 G N 2.864 111.599 108.800 -0.109 0.000 2.611 179 G HA2 -0.331 3.629 3.960 0.000 0.000 0.301 179 G HA3 -0.331 3.629 3.960 0.000 0.000 0.301 179 G C 0.570 175.418 174.900 -0.088 0.000 1.233 179 G CA 1.138 46.187 45.100 -0.086 0.000 0.993 179 G HN 1.515 nan 8.290 nan 0.000 0.553 180 D N 0.833 121.183 120.400 -0.084 0.000 2.328 180 D HA 0.189 4.829 4.640 0.000 0.000 0.226 180 D C 1.034 177.264 176.300 -0.116 0.000 1.066 180 D CA 0.246 54.195 54.000 -0.084 0.000 0.861 180 D CB -0.207 40.556 40.800 -0.062 0.000 0.912 180 D HN 0.533 nan 8.370 nan 0.000 0.521 181 L N 0.648 121.775 121.223 -0.160 0.000 2.296 181 L HA 0.379 4.719 4.340 0.000 0.000 0.286 181 L C -0.718 176.065 176.870 -0.145 0.000 1.023 181 L CA -1.241 53.471 54.840 -0.213 0.000 0.812 181 L CB 1.340 43.195 42.059 -0.340 0.000 1.223 181 L HN -0.109 nan 8.230 nan 0.000 0.421 182 F N 5.169 124.976 119.950 -0.238 0.000 2.391 182 F HA 0.546 5.073 4.527 0.001 0.000 0.359 182 F C -0.345 175.325 175.800 -0.217 0.000 1.122 182 F CA -0.538 57.325 58.000 -0.228 0.000 1.120 182 F CB 0.625 39.507 39.000 -0.197 0.000 1.142 182 F HN 0.210 nan 8.300 nan 0.000 0.483 183 I N 6.166 126.255 120.570 -0.802 0.000 2.389 183 I HA 0.624 4.795 4.170 0.000 0.000 0.288 183 I C -0.509 175.205 176.117 -0.670 0.000 0.999 183 I CA -0.651 60.266 61.300 -0.639 0.000 1.129 183 I CB 1.554 39.128 38.000 -0.710 0.000 1.288 183 I HN 0.739 nan 8.210 nan 0.000 0.444 184 A N 3.121 125.728 122.820 -0.354 0.000 2.371 184 A HA 0.663 4.983 4.320 0.000 0.000 0.311 184 A C 0.046 177.720 177.584 0.151 0.000 1.068 184 A CA -0.598 51.365 52.037 -0.122 0.000 0.744 184 A CB 1.087 20.071 19.000 -0.027 0.000 1.239 184 A HN 0.706 nan 8.150 nan 0.000 0.435 185 T N 0.506 115.178 114.554 0.197 0.000 4.098 185 T HA 0.450 4.800 4.350 0.000 0.000 0.291 185 T C 0.475 175.170 174.700 -0.008 0.000 1.440 185 T CA 0.232 62.457 62.100 0.207 0.000 1.164 185 T CB -1.265 67.749 68.868 0.243 0.000 1.313 185 T HN 0.930 nan 8.240 nan 0.000 0.951 186 T N -1.518 112.994 114.554 -0.070 0.000 2.807 186 T HA 0.936 5.287 4.350 0.000 0.000 0.277 186 T C 0.144 174.791 174.700 -0.088 0.000 1.006 186 T CA -0.596 61.313 62.100 -0.319 0.000 1.006 186 T CB 2.021 70.619 68.868 -0.451 0.000 1.274 186 T HN 0.885 nan 8.240 nan 0.000 0.569 187 G N -1.132 107.629 108.800 -0.065 0.000 2.321 187 G HA2 0.373 4.333 3.960 0.000 0.000 0.298 187 G HA3 0.373 4.333 3.960 0.000 0.000 0.298 187 G C -1.880 173.098 174.900 0.130 0.000 1.385 187 G CA -0.638 44.489 45.100 0.044 0.000 0.856 187 G HN 0.813 nan 8.290 nan 0.000 0.584 188 Y N 0.774 121.027 120.300 -0.079 0.000 2.698 188 Y HA 0.421 4.971 4.550 0.000 0.000 0.261 188 Y C 1.696 177.529 175.900 -0.112 0.000 1.104 188 Y CA 0.513 58.559 58.100 -0.089 0.000 1.145 188 Y CB 0.475 38.865 38.460 -0.117 0.000 1.191 188 Y HN 0.794 nan 8.280 nan 0.000 0.564 189 T N -5.062 109.463 114.554 -0.049 0.000 2.986 189 T HA 0.334 4.685 4.350 0.000 0.000 0.264 189 T C 1.601 176.250 174.700 -0.086 0.000 0.964 189 T CA 0.409 62.439 62.100 -0.116 0.000 0.895 189 T CB 0.235 69.058 68.868 -0.075 0.000 1.163 189 T HN 0.468 nan 8.240 nan 0.000 0.517 190 G N 1.484 110.257 108.800 -0.044 0.000 2.184 190 G HA2 -0.208 3.753 3.960 0.000 0.000 0.264 190 G HA3 -0.208 3.753 3.960 0.000 0.000 0.264 190 G C -0.135 174.748 174.900 -0.029 0.000 0.975 190 G CA 0.378 45.458 45.100 -0.034 0.000 0.642 190 G HN 0.631 nan 8.290 nan 0.000 0.536 191 E N -0.139 120.045 120.200 -0.027 0.000 2.281 191 E HA 0.753 5.103 4.350 0.000 0.000 0.257 191 E C 0.746 177.335 176.600 -0.019 0.000 0.971 191 E CA -0.086 56.295 56.400 -0.031 0.000 0.839 191 E CB 1.343 31.016 29.700 -0.045 0.000 1.238 191 E HN 0.643 nan 8.360 nan 0.000 0.412 192 A N -0.167 122.629 122.820 -0.039 0.000 2.310 192 A HA 0.685 5.005 4.320 0.000 0.000 0.260 192 A C 0.548 178.076 177.584 -0.093 0.000 1.112 192 A CA 0.736 52.739 52.037 -0.058 0.000 0.804 192 A CB 0.179 19.130 19.000 -0.082 0.000 1.081 192 A HN 0.662 nan 8.150 nan 0.000 0.499 193 G N -2.044 106.653 108.800 -0.172 0.000 2.350 193 G HA2 0.427 4.387 3.960 0.000 0.000 0.282 193 G HA3 0.427 4.387 3.960 0.000 0.000 0.282 193 G C -1.753 173.008 174.900 -0.232 0.000 1.314 193 G CA -0.666 44.294 45.100 -0.233 0.000 0.915 193 G HN 0.908 nan 8.290 nan 0.000 0.499 194 Y N 0.225 120.575 120.300 0.083 0.000 2.545 194 Y HA 0.673 5.223 4.550 -0.000 0.000 0.348 194 Y C 0.130 176.092 175.900 0.104 0.000 1.002 194 Y CA -1.143 57.010 58.100 0.089 0.000 1.039 194 Y CB 2.180 40.728 38.460 0.146 0.000 1.271 194 Y HN 0.552 nan 8.280 nan 0.000 0.467 195 E N 2.403 122.763 120.200 0.266 0.000 2.166 195 E HA 0.596 4.946 4.350 0.000 0.000 0.275 195 E C -1.234 175.467 176.600 0.169 0.000 0.941 195 E CA -0.484 56.046 56.400 0.217 0.000 0.784 195 E CB 1.948 31.755 29.700 0.178 0.000 1.115 195 E HN 0.428 nan 8.360 nan 0.000 0.399 196 I N 2.496 123.176 120.570 0.184 0.000 2.410 196 I HA 0.423 4.593 4.170 0.000 0.000 0.286 196 I C -0.427 175.740 176.117 0.084 0.000 1.009 196 I CA -0.617 60.735 61.300 0.087 0.000 1.111 196 I CB 1.694 39.761 38.000 0.111 0.000 1.262 196 I HN 0.470 nan 8.210 nan 0.000 0.443 197 A N 8.036 130.920 122.820 0.107 0.000 2.324 197 A HA 0.998 5.319 4.320 0.000 0.000 0.330 197 A C -0.685 176.894 177.584 -0.008 0.000 1.165 197 A CA -0.476 51.611 52.037 0.084 0.000 0.813 197 A CB 1.380 20.461 19.000 0.135 0.000 1.197 197 A HN 0.788 nan 8.150 nan 0.000 0.484 198 L N -1.006 120.193 121.223 -0.041 0.000 2.671 198 L HA 0.744 5.084 4.340 0.000 0.000 0.259 198 L C -3.154 173.694 176.870 -0.037 0.000 1.021 198 L CA -2.458 52.330 54.840 -0.087 0.000 0.871 198 L CB 1.883 43.815 42.059 -0.213 0.000 1.472 198 L HN 0.316 nan 8.230 nan 0.000 0.410 199 P HA 0.168 nan 4.420 nan 0.000 0.268 199 P C -0.117 177.191 177.300 0.013 0.000 1.205 199 P CA -0.061 63.034 63.100 -0.007 0.000 0.771 199 P CB 0.474 32.169 31.700 -0.009 0.000 0.858 200 N N 2.614 121.330 118.700 0.027 0.000 2.060 200 N HA -0.206 4.534 4.740 0.000 0.000 0.195 200 N C 1.382 176.919 175.510 0.044 0.000 1.028 200 N CA 1.458 54.534 53.050 0.043 0.000 0.861 200 N CB -0.397 38.119 38.487 0.049 0.000 1.029 200 N HN 0.611 nan 8.380 nan 0.000 0.428 201 E N 1.081 121.302 120.200 0.036 0.000 2.418 201 E HA -0.116 4.234 4.350 0.000 0.000 0.197 201 E C 0.726 177.356 176.600 0.049 0.000 1.026 201 E CA 0.858 57.281 56.400 0.039 0.000 0.862 201 E CB -0.121 29.597 29.700 0.030 0.000 0.799 201 E HN 0.387 nan 8.360 nan 0.000 0.518 202 K N 0.188 120.618 120.400 0.049 0.000 2.361 202 K HA 0.278 4.598 4.320 0.000 0.000 0.194 202 K C 1.963 178.634 176.600 0.119 0.000 1.032 202 K CA 0.499 56.829 56.287 0.072 0.000 1.048 202 K CB 0.489 33.015 32.500 0.043 0.000 0.842 202 K HN 0.114 nan 8.250 nan 0.000 0.526 203 A N 2.133 125.016 122.820 0.105 0.000 1.873 203 A HA -0.082 4.238 4.320 0.000 0.000 0.215 203 A C 2.452 180.167 177.584 0.218 0.000 1.186 203 A CA 1.760 53.892 52.037 0.158 0.000 0.616 203 A CB -0.603 18.461 19.000 0.107 0.000 0.823 203 A HN 0.264 nan 8.150 nan 0.000 0.442 204 A N 0.361 123.258 122.820 0.128 0.000 1.884 204 A HA -0.303 4.018 4.320 0.000 0.000 0.219 204 A C 1.782 179.481 177.584 0.191 0.000 1.197 204 A CA 2.291 54.395 52.037 0.113 0.000 0.637 204 A CB -0.888 18.144 19.000 0.053 0.000 0.827 204 A HN 0.468 nan 8.150 nan 0.000 0.450 205 D N -1.699 118.807 120.400 0.177 0.000 2.178 205 D HA -0.095 4.545 4.640 0.000 0.000 0.201 205 D C 1.572 178.005 176.300 0.222 0.000 0.980 205 D CA 1.013 55.116 54.000 0.171 0.000 0.842 205 D CB -0.358 40.529 40.800 0.144 0.000 0.948 205 D HN 0.478 nan 8.370 nan 0.000 0.472 206 F N 0.123 120.154 119.950 0.134 0.000 2.206 206 F HA -0.077 4.450 4.527 0.000 0.000 0.298 206 F C 2.156 178.058 175.800 0.170 0.000 1.090 206 F CA 0.907 58.989 58.000 0.138 0.000 1.323 206 F CB -0.084 39.005 39.000 0.147 0.000 1.028 206 F HN 0.047 nan 8.300 nan 0.000 0.492 207 W N 2.144 123.544 121.300 0.166 0.000 2.355 207 W HA -0.241 4.420 4.660 0.001 0.000 0.309 207 W C 2.507 179.003 176.519 -0.039 0.000 1.206 207 W CA 2.165 59.545 57.345 0.059 0.000 1.284 207 W CB -0.701 28.794 29.460 0.059 0.000 1.145 207 W HN 0.070 nan 8.180 nan 0.000 0.502 208 R N 1.006 121.647 120.500 0.235 0.000 2.083 208 R HA -0.198 4.143 4.340 0.000 0.000 0.237 208 R C 2.301 178.564 176.300 -0.062 0.000 1.137 208 R CA 2.393 58.550 56.100 0.094 0.000 0.951 208 R CB -0.974 29.389 30.300 0.105 0.000 0.851 208 R HN 0.093 nan 8.270 nan 0.000 0.434 209 A N 1.308 124.069 122.820 -0.098 0.000 1.940 209 A HA -0.126 4.194 4.320 0.000 0.000 0.219 209 A C 2.321 179.735 177.584 -0.283 0.000 1.176 209 A CA 1.332 53.255 52.037 -0.190 0.000 0.631 209 A CB -0.507 18.351 19.000 -0.237 0.000 0.814 209 A HN 0.388 nan 8.150 nan 0.000 0.446 210 L N -0.713 120.285 121.223 -0.376 0.000 2.046 210 L HA -0.161 4.180 4.340 0.000 0.000 0.208 210 L C 2.549 179.199 176.870 -0.366 0.000 1.077 210 L CA 1.066 55.662 54.840 -0.406 0.000 0.747 210 L CB -0.526 41.262 42.059 -0.452 0.000 0.896 210 L HN 0.248 nan 8.230 nan 0.000 0.432 211 V N -0.077 119.604 119.914 -0.389 0.000 2.332 211 V HA -0.316 3.804 4.120 0.000 0.000 0.248 211 V C 2.307 178.273 176.094 -0.212 0.000 1.055 211 V CA 1.989 64.095 62.300 -0.323 0.000 1.038 211 V CB -0.498 31.175 31.823 -0.250 0.000 0.651 211 V HN 0.485 nan 8.190 nan 0.000 0.450 212 E N -0.026 120.070 120.200 -0.175 0.000 2.274 212 E HA -0.049 4.301 4.350 0.000 0.000 0.194 212 E C 2.080 178.599 176.600 -0.135 0.000 0.996 212 E CA 0.935 57.259 56.400 -0.127 0.000 0.840 212 E CB -0.227 29.414 29.700 -0.098 0.000 0.772 212 E HN 0.601 nan 8.360 nan 0.000 0.491 213 A N 0.322 123.038 122.820 -0.174 0.000 2.235 213 A HA 0.196 4.516 4.320 0.000 0.000 0.208 213 A C 1.669 179.157 177.584 -0.160 0.000 1.172 213 A CA 0.885 52.820 52.037 -0.169 0.000 0.786 213 A CB -0.266 18.609 19.000 -0.208 0.000 0.804 213 A HN 0.331 nan 8.150 nan 0.000 0.479 214 G N -1.918 106.783 108.800 -0.165 0.000 2.144 214 G HA2 -0.168 3.792 3.960 0.000 0.000 0.218 214 G HA3 -0.168 3.792 3.960 0.000 0.000 0.218 214 G C 0.054 174.848 174.900 -0.177 0.000 0.988 214 G CA -0.030 44.980 45.100 -0.149 0.000 0.659 214 G HN 0.768 nan 8.290 nan 0.000 0.522 215 V N 1.213 120.990 119.914 -0.229 0.000 2.432 215 V HA 0.399 4.520 4.120 0.000 0.000 0.271 215 V C 0.904 176.805 176.094 -0.323 0.000 1.046 215 V CA -0.278 61.861 62.300 -0.268 0.000 0.945 215 V CB 1.465 33.103 31.823 -0.307 0.000 0.992 215 V HN 0.406 nan 8.190 nan 0.000 0.471 216 K N 6.751 126.979 120.400 -0.286 0.000 2.322 216 K HA 0.287 4.607 4.320 0.000 0.000 0.283 216 K C -2.534 173.798 176.600 -0.447 0.000 1.042 216 K CA -1.561 54.542 56.287 -0.307 0.000 0.958 216 K CB 0.823 33.198 32.500 -0.208 0.000 0.984 216 K HN 0.368 nan 8.250 nan 0.000 0.473 217 P HA 0.028 nan 4.420 nan 0.000 0.267 217 P C -1.061 175.846 177.300 -0.656 0.000 1.205 217 P CA -0.308 62.318 63.100 -0.790 0.000 0.765 217 P CB 0.602 31.526 31.700 -1.292 0.000 0.828 218 C N 3.415 122.457 119.300 -0.429 0.000 2.626 218 C HA 0.806 5.266 4.460 0.000 0.000 0.310 218 C C 0.936 175.989 174.990 0.106 0.000 1.191 218 C CA -0.228 58.637 59.018 -0.254 0.000 1.517 218 C CB 1.743 28.956 27.740 -0.879 0.000 2.102 218 C HN 0.670 nan 8.230 nan 0.000 0.479 219 G N 0.660 109.642 108.800 0.302 0.000 2.795 219 G HA2 0.546 4.507 3.960 0.000 0.000 0.267 219 G HA3 0.546 4.507 3.960 0.000 0.000 0.267 219 G C 0.625 175.701 174.900 0.293 0.000 1.362 219 G CA -0.600 44.650 45.100 0.250 0.000 1.048 219 G HN 0.724 nan 8.290 nan 0.000 0.547 220 L N 0.319 121.607 121.223 0.108 0.000 2.131 220 L HA -0.007 4.333 4.340 0.000 0.000 0.210 220 L C 3.059 179.979 176.870 0.082 0.000 1.092 220 L CA 1.196 56.050 54.840 0.023 0.000 0.759 220 L CB -0.545 41.403 42.059 -0.184 0.000 0.903 220 L HN 0.684 nan 8.230 nan 0.000 0.435 221 G N -0.006 108.866 108.800 0.121 0.000 2.480 221 G HA2 -0.299 3.661 3.960 0.000 0.000 0.216 221 G HA3 -0.299 3.661 3.960 0.000 0.000 0.216 221 G C 1.764 176.775 174.900 0.186 0.000 1.200 221 G CA 0.902 46.087 45.100 0.142 0.000 0.782 221 G HN 0.466 nan 8.290 nan 0.000 0.554 222 A N 0.397 123.376 122.820 0.265 0.000 1.930 222 A HA 0.025 4.345 4.320 0.000 0.000 0.217 222 A C 2.321 180.100 177.584 0.325 0.000 1.175 222 A CA 1.836 54.076 52.037 0.338 0.000 0.627 222 A CB -0.459 18.765 19.000 0.374 0.000 0.815 222 A HN 0.374 nan 8.150 nan 0.000 0.443 223 R N -0.311 120.394 120.500 0.342 0.000 2.103 223 R HA -0.231 4.109 4.340 0.000 0.000 0.242 223 R C 1.879 178.168 176.300 -0.019 0.000 1.142 223 R CA 2.147 58.265 56.100 0.029 0.000 0.960 223 R CB -0.383 29.920 30.300 0.006 0.000 0.858 223 R HN 0.555 nan 8.270 nan 0.000 0.439 224 D N -1.087 119.342 120.400 0.050 0.000 2.097 224 D HA -0.123 4.517 4.640 0.000 0.000 0.197 224 D C 1.830 178.142 176.300 0.019 0.000 0.984 224 D CA 2.068 56.084 54.000 0.027 0.000 0.826 224 D CB -0.042 40.797 40.800 0.065 0.000 0.973 224 D HN 0.411 nan 8.370 nan 0.000 0.460 225 T N -1.290 113.322 114.554 0.098 0.000 2.746 225 T HA -0.133 4.217 4.350 0.000 0.000 0.267 225 T C 2.294 177.097 174.700 0.172 0.000 1.039 225 T CA 1.016 63.192 62.100 0.126 0.000 1.142 225 T CB -0.741 68.225 68.868 0.164 0.000 0.866 225 T HN 0.143 nan 8.240 nan 0.000 0.444 226 L N 1.537 122.846 121.223 0.144 0.000 1.994 226 L HA -0.092 4.248 4.340 0.000 0.000 0.208 226 L C 3.114 179.902 176.870 -0.137 0.000 1.071 226 L CA 2.038 56.850 54.840 -0.046 0.000 0.745 226 L CB -0.553 41.411 42.059 -0.158 0.000 0.892 226 L HN 0.351 nan 8.230 nan 0.000 0.431 227 R N 0.078 120.403 120.500 -0.290 0.000 2.075 227 R HA -0.167 4.173 4.340 0.000 0.000 0.232 227 R C 2.067 178.215 176.300 -0.253 0.000 1.126 227 R CA 1.322 57.112 56.100 -0.517 0.000 0.963 227 R CB -1.200 28.342 30.300 -1.263 0.000 0.858 227 R HN 0.141 nan 8.270 nan 0.000 0.435 228 L N 1.477 122.618 121.223 -0.137 0.000 2.017 228 L HA -0.051 4.290 4.340 0.000 0.000 0.208 228 L C 1.922 178.828 176.870 0.060 0.000 1.073 228 L CA 1.841 56.665 54.840 -0.025 0.000 0.745 228 L CB -0.792 41.243 42.059 -0.040 0.000 0.894 228 L HN 0.351 nan 8.230 nan 0.000 0.432 229 E N -0.567 119.646 120.200 0.021 0.000 2.130 229 E HA -0.249 4.101 4.350 0.000 0.000 0.196 229 E C 1.885 178.612 176.600 0.211 0.000 0.998 229 E CA 1.296 57.768 56.400 0.119 0.000 0.806 229 E CB -0.253 29.502 29.700 0.092 0.000 0.738 229 E HN 0.621 nan 8.360 nan 0.000 0.459 230 A N 0.078 122.936 122.820 0.063 0.000 2.238 230 A HA 0.216 4.536 4.320 0.000 0.000 0.208 230 A C 1.604 179.190 177.584 0.004 0.000 1.177 230 A CA 0.790 52.829 52.037 0.004 0.000 0.804 230 A CB -0.245 18.715 19.000 -0.066 0.000 0.823 230 A HN 0.327 nan 8.150 nan 0.000 0.482 231 G N -0.850 107.997 108.800 0.078 0.000 2.198 231 G HA2 -0.259 3.701 3.960 0.000 0.000 0.257 231 G HA3 -0.259 3.701 3.960 0.000 0.000 0.257 231 G C 0.028 174.954 174.900 0.043 0.000 1.042 231 G CA 0.546 45.690 45.100 0.072 0.000 0.791 231 G HN 0.446 nan 8.290 nan 0.000 0.502 232 M N 0.269 119.872 119.600 0.004 0.000 2.264 232 M HA 0.332 4.812 4.480 0.000 0.000 0.352 232 M C 0.229 176.603 176.300 0.124 0.000 1.173 232 M CA -0.856 54.467 55.300 0.038 0.000 1.075 232 M CB 0.848 33.410 32.600 -0.063 0.000 1.621 232 M HN 0.061 nan 8.290 nan 0.000 0.457 233 N N 2.233 121.082 118.700 0.249 0.000 2.525 233 N HA 0.353 5.094 4.740 0.000 0.000 0.271 233 N C -1.244 174.479 175.510 0.356 0.000 1.194 233 N CA -0.345 52.868 53.050 0.270 0.000 0.964 233 N CB 0.811 39.474 38.487 0.294 0.000 1.126 233 N HN 0.406 nan 8.380 nan 0.000 0.452 234 L N 3.306 124.701 121.223 0.287 0.000 2.298 234 L HA 0.339 4.679 4.340 0.000 0.000 0.284 234 L C -0.967 176.048 176.870 0.242 0.000 1.013 234 L CA -0.877 54.157 54.840 0.324 0.000 0.824 234 L CB 0.296 42.531 42.059 0.294 0.000 1.221 234 L HN 0.437 nan 8.230 nan 0.000 0.418 235 Y N 5.418 125.809 120.300 0.152 0.000 2.702 235 Y HA 0.354 4.904 4.550 0.000 0.000 0.336 235 Y C 1.478 177.438 175.900 0.099 0.000 1.235 235 Y CA 1.690 59.844 58.100 0.090 0.000 1.492 235 Y CB 0.826 39.306 38.460 0.034 0.000 1.308 235 Y HN 0.933 nan 8.280 nan 0.000 0.589 236 G N 3.330 111.741 108.800 -0.650 0.000 2.241 236 G HA2 -0.289 3.671 3.960 0.000 0.000 0.244 236 G HA3 -0.289 3.671 3.960 0.000 0.000 0.244 236 G C 0.766 175.588 174.900 -0.129 0.000 0.998 236 G CA 0.714 45.630 45.100 -0.308 0.000 0.621 236 G HN 0.623 nan 8.290 nan 0.000 0.519 237 Q N -1.013 118.746 119.800 -0.067 0.000 2.642 237 Q HA 0.248 4.588 4.340 0.000 0.000 0.202 237 Q C 2.038 178.035 176.000 -0.005 0.000 0.845 237 Q CA 0.595 56.402 55.803 0.006 0.000 0.873 237 Q CB 0.086 28.868 28.738 0.074 0.000 1.190 237 Q HN 0.287 nan 8.270 nan 0.000 0.642 238 E N 0.417 120.630 120.200 0.021 0.000 2.274 238 E HA -0.033 4.317 4.350 0.000 0.000 0.194 238 E C 0.459 177.053 176.600 -0.011 0.000 0.996 238 E CA 0.789 57.210 56.400 0.036 0.000 0.840 238 E CB 0.342 30.098 29.700 0.094 0.000 0.772 238 E HN 0.233 nan 8.360 nan 0.000 0.491 239 M N -0.594 118.942 119.600 -0.106 0.000 2.643 239 M HA 0.487 4.967 4.480 0.000 0.000 0.276 239 M C -1.879 174.164 176.300 -0.428 0.000 1.200 239 M CA -0.858 54.347 55.300 -0.159 0.000 0.863 239 M CB 1.921 34.487 32.600 -0.056 0.000 1.711 239 M HN -0.081 nan 8.290 nan 0.000 0.492 240 D N -0.144 120.061 120.400 -0.325 0.000 2.946 240 D HA 0.300 4.940 4.640 0.000 0.000 0.337 240 D C -0.117 176.138 176.300 -0.076 0.000 1.332 240 D CA -0.381 53.369 54.000 -0.417 0.000 0.935 240 D CB 0.490 41.078 40.800 -0.354 0.000 1.440 240 D HN 0.662 nan 8.370 nan 0.000 0.540 241 E N -0.909 119.300 120.200 0.014 0.000 2.409 241 E HA -0.074 4.276 4.350 0.000 0.000 0.198 241 E C 1.082 177.673 176.600 -0.015 0.000 1.024 241 E CA 1.580 57.983 56.400 0.004 0.000 0.861 241 E CB -0.186 29.510 29.700 -0.006 0.000 0.788 241 E HN 0.610 nan 8.360 nan 0.000 0.521 242 T N -1.494 113.049 114.554 -0.019 0.000 3.107 242 T HA 0.112 4.462 4.350 0.000 0.000 0.249 242 T C 0.691 175.387 174.700 -0.007 0.000 1.096 242 T CA -0.147 61.947 62.100 -0.010 0.000 1.012 242 T CB 0.163 69.027 68.868 -0.007 0.000 0.977 242 T HN -0.158 nan 8.240 nan 0.000 0.527 243 I N 2.150 122.710 120.570 -0.017 0.000 2.378 243 I HA 0.420 4.590 4.170 0.000 0.000 0.291 243 I C 0.415 176.533 176.117 0.002 0.000 0.992 243 I CA -1.154 60.141 61.300 -0.008 0.000 1.154 243 I CB 1.328 39.314 38.000 -0.024 0.000 1.315 243 I HN 0.150 nan 8.210 nan 0.000 0.448 244 S N 8.338 124.050 115.700 0.020 0.000 2.562 244 S HA 0.219 4.689 4.470 0.000 0.000 0.281 244 S C -1.094 173.521 174.600 0.024 0.000 1.333 244 S CA -0.838 57.379 58.200 0.028 0.000 1.052 244 S CB 0.746 63.978 63.200 0.054 0.000 0.884 244 S HN 0.480 nan 8.310 nan 0.000 0.506 245 P HA -0.121 nan 4.420 nan 0.000 0.219 245 P C 1.400 178.719 177.300 0.032 0.000 1.146 245 P CA 1.169 64.263 63.100 -0.010 0.000 0.808 245 P CB -0.079 31.574 31.700 -0.079 0.000 0.779 246 L N -0.747 120.515 121.223 0.065 0.000 2.191 246 L HA -0.068 4.272 4.340 0.000 0.000 0.212 246 L C 2.361 179.282 176.870 0.085 0.000 1.103 246 L CA 1.326 56.225 54.840 0.099 0.000 0.769 246 L CB -0.968 41.170 42.059 0.133 0.000 0.908 246 L HN -0.056 nan 8.230 nan 0.000 0.438 247 A N -0.570 122.291 122.820 0.069 0.000 2.337 247 A HA 0.498 4.818 4.320 0.000 0.000 0.227 247 A C 1.539 179.161 177.584 0.062 0.000 1.259 247 A CA 0.688 52.762 52.037 0.062 0.000 0.870 247 A CB -0.185 18.846 19.000 0.052 0.000 0.927 247 A HN 0.288 nan 8.150 nan 0.000 0.497 248 A N -0.590 122.273 122.820 0.072 0.000 2.605 248 A HA 0.449 4.769 4.320 0.000 0.000 0.292 248 A C 0.548 178.209 177.584 0.127 0.000 1.055 248 A CA 0.253 52.340 52.037 0.084 0.000 0.969 248 A CB -0.411 18.627 19.000 0.065 0.000 1.236 248 A HN 0.571 nan 8.150 nan 0.000 0.534 249 N N -0.936 117.848 118.700 0.140 0.000 2.754 249 N HA -0.186 4.554 4.740 0.000 0.000 0.248 249 N C 0.294 175.999 175.510 0.325 0.000 1.093 249 N CA 1.659 54.839 53.050 0.216 0.000 0.699 249 N CB -1.653 36.947 38.487 0.188 0.000 1.016 249 N HN 0.589 nan 8.380 nan 0.000 0.552 250 M N -1.947 117.749 119.600 0.160 0.000 2.347 250 M HA 0.287 4.767 4.480 0.000 0.000 0.302 250 M C 1.911 178.125 176.300 -0.144 0.000 1.051 250 M CA 0.379 55.651 55.300 -0.046 0.000 0.988 250 M CB 0.498 33.036 32.600 -0.104 0.000 1.475 250 M HN 0.274 nan 8.290 nan 0.000 0.530 251 G N 1.501 110.343 108.800 0.071 0.000 2.450 251 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 251 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 251 G C 1.208 176.168 174.900 0.100 0.000 1.130 251 G CA 0.701 45.870 45.100 0.114 0.000 0.760 251 G HN 0.781 nan 8.290 nan 0.000 0.557 252 W N 1.891 123.212 121.300 0.035 0.000 2.525 252 W HA -0.012 4.648 4.660 0.000 0.000 0.259 252 W C 1.464 177.964 176.519 -0.031 0.000 1.253 252 W CA 1.567 58.921 57.345 0.014 0.000 1.262 252 W CB -1.254 28.209 29.460 0.007 0.000 1.122 252 W HN 0.296 nan 8.180 nan 0.000 0.607 253 T N -1.298 112.779 114.554 -0.795 0.000 3.086 253 T HA 0.172 4.523 4.350 0.000 0.000 0.250 253 T C 0.785 175.139 174.700 -0.577 0.000 1.074 253 T CA -0.194 61.404 62.100 -0.836 0.000 0.988 253 T CB -0.435 67.764 68.868 -1.116 0.000 0.988 253 T HN -0.124 nan 8.240 nan 0.000 0.530 254 I N 2.849 123.129 120.570 -0.483 0.000 2.421 254 I HA 0.386 4.556 4.170 0.000 0.000 0.291 254 I C 0.700 176.469 176.117 -0.580 0.000 1.089 254 I CA -1.038 59.870 61.300 -0.653 0.000 1.354 254 I CB -0.477 37.052 38.000 -0.785 0.000 1.413 254 I HN 0.265 nan 8.210 nan 0.000 0.513 255 A N 6.963 129.445 122.820 -0.562 0.000 2.798 255 A HA 0.235 4.555 4.320 0.000 0.000 0.316 255 A C 0.727 178.194 177.584 -0.195 0.000 1.506 255 A CA -0.608 51.249 52.037 -0.299 0.000 1.162 255 A CB -0.396 18.449 19.000 -0.258 0.000 1.138 255 A HN 0.818 nan 8.150 nan 0.000 0.532 256 W N 0.918 122.233 121.300 0.024 0.000 2.363 256 W HA -0.059 4.601 4.660 0.000 0.000 0.296 256 W C 0.736 177.294 176.519 0.065 0.000 1.212 256 W CA 0.573 57.970 57.345 0.086 0.000 1.260 256 W CB 0.262 29.756 29.460 0.057 0.000 1.131 256 W HN 0.434 nan 8.180 nan 0.000 0.530 257 E N 1.212 121.562 120.200 0.249 0.000 2.216 257 E HA 0.192 4.542 4.350 0.000 0.000 0.279 257 E C -1.954 174.694 176.600 0.080 0.000 0.997 257 E CA -2.196 54.291 56.400 0.145 0.000 0.817 257 E CB 0.331 30.097 29.700 0.110 0.000 1.096 257 E HN -0.091 nan 8.360 nan 0.000 0.393 258 P HA 0.180 nan 4.420 nan 0.000 0.278 258 P C -0.001 177.363 177.300 0.107 0.000 1.238 258 P CA -0.263 62.883 63.100 0.076 0.000 0.794 258 P CB 1.245 32.975 31.700 0.050 0.000 0.955 259 A N 2.584 125.466 122.820 0.103 0.000 2.121 259 A HA -0.145 4.175 4.320 0.000 0.000 0.218 259 A C 1.410 179.048 177.584 0.090 0.000 1.154 259 A CA 1.455 53.562 52.037 0.115 0.000 0.679 259 A CB -0.926 18.124 19.000 0.084 0.000 0.795 259 A HN 0.645 nan 8.150 nan 0.000 0.458 260 D N -0.802 119.641 120.400 0.071 0.000 2.349 260 D HA -0.062 4.578 4.640 0.000 0.000 0.224 260 D C 0.834 177.176 176.300 0.070 0.000 1.029 260 D CA 0.004 54.039 54.000 0.058 0.000 0.879 260 D CB -0.418 40.408 40.800 0.044 0.000 0.906 260 D HN 0.369 nan 8.370 nan 0.000 0.528 261 R N 1.062 121.619 120.500 0.095 0.000 2.205 261 R HA 0.157 4.497 4.340 0.000 0.000 0.342 261 R C -0.934 175.455 176.300 0.148 0.000 1.058 261 R CA -0.555 55.620 56.100 0.125 0.000 0.904 261 R CB 0.270 30.648 30.300 0.131 0.000 1.089 261 R HN -0.093 nan 8.270 nan 0.000 0.471 262 D N 4.103 124.575 120.400 0.120 0.000 2.304 262 D HA 0.203 4.843 4.640 0.000 0.000 0.247 262 D C -0.971 175.427 176.300 0.163 0.000 1.089 262 D CA -0.035 53.994 54.000 0.049 0.000 0.910 262 D CB 0.526 41.381 40.800 0.092 0.000 1.199 262 D HN 0.336 nan 8.370 nan 0.000 0.426 263 F N 0.674 120.620 119.950 -0.006 0.000 2.613 263 F HA 0.514 5.042 4.527 0.001 0.000 0.310 263 F C -0.478 175.158 175.800 -0.273 0.000 1.085 263 F CA -1.480 56.400 58.000 -0.200 0.000 0.945 263 F CB 0.445 39.289 39.000 -0.259 0.000 1.298 263 F HN 0.123 nan 8.300 nan 0.000 0.455 264 I N 2.482 122.851 120.570 -0.336 0.000 2.741 264 I HA 0.270 4.441 4.170 0.000 0.000 0.288 264 I C 1.294 177.382 176.117 -0.048 0.000 1.192 264 I CA 1.422 62.584 61.300 -0.230 0.000 1.426 264 I CB 0.050 37.896 38.000 -0.258 0.000 1.367 264 I HN 1.131 nan 8.210 nan 0.000 0.563 265 G N 4.965 113.717 108.800 -0.080 0.000 2.199 265 G HA2 -0.343 3.617 3.960 0.000 0.000 0.254 265 G HA3 -0.343 3.617 3.960 0.000 0.000 0.254 265 G C 1.291 176.078 174.900 -0.189 0.000 0.982 265 G CA 0.544 45.605 45.100 -0.065 0.000 0.632 265 G HN 0.713 nan 8.290 nan 0.000 0.529 266 R N 0.841 120.993 120.500 -0.580 0.000 2.091 266 R HA -0.068 4.272 4.340 0.000 0.000 0.238 266 R C 2.242 178.374 176.300 -0.279 0.000 1.136 266 R CA 2.175 57.757 56.100 -0.863 0.000 0.959 266 R CB -0.391 29.011 30.300 -1.497 0.000 0.856 266 R HN 0.619 nan 8.270 nan 0.000 0.437 267 E N -0.294 119.788 120.200 -0.196 0.000 2.051 267 E HA -0.197 4.153 4.350 0.000 0.000 0.192 267 E C 1.823 178.410 176.600 -0.022 0.000 0.991 267 E CA 1.255 57.611 56.400 -0.073 0.000 0.799 267 E CB -0.170 29.500 29.700 -0.050 0.000 0.748 267 E HN 0.485 nan 8.360 nan 0.000 0.449 268 A N 0.778 123.588 122.820 -0.015 0.000 1.940 268 A HA -0.174 4.147 4.320 0.000 0.000 0.219 268 A C 2.103 179.717 177.584 0.050 0.000 1.176 268 A CA 1.174 53.222 52.037 0.019 0.000 0.631 268 A CB -0.561 18.453 19.000 0.023 0.000 0.814 268 A HN 0.361 nan 8.150 nan 0.000 0.446 269 L N -0.331 120.936 121.223 0.073 0.000 2.109 269 L HA -0.083 4.258 4.340 0.000 0.000 0.207 269 L C 2.333 179.353 176.870 0.249 0.000 1.086 269 L CA 2.424 57.372 54.840 0.180 0.000 0.760 269 L CB -0.562 41.635 42.059 0.230 0.000 0.910 269 L HN 0.564 nan 8.230 nan 0.000 0.437 270 E N -0.945 119.384 120.200 0.215 0.000 2.051 270 E HA -0.175 4.175 4.350 0.000 0.000 0.192 270 E C 2.092 178.669 176.600 -0.038 0.000 0.991 270 E CA 1.754 58.204 56.400 0.083 0.000 0.799 270 E CB -0.326 29.405 29.700 0.051 0.000 0.748 270 E HN 0.251 nan 8.360 nan 0.000 0.449 271 V N 1.334 121.226 119.914 -0.037 0.000 2.219 271 V HA -0.374 3.746 4.120 0.000 0.000 0.248 271 V C 2.522 178.537 176.094 -0.132 0.000 1.053 271 V CA 2.502 64.731 62.300 -0.117 0.000 1.009 271 V CB -0.870 30.919 31.823 -0.055 0.000 0.636 271 V HN 0.433 nan 8.190 nan 0.000 0.445 272 Q N -0.436 119.373 119.800 0.015 0.000 2.152 272 Q HA -0.274 4.066 4.340 0.000 0.000 0.206 272 Q C 2.411 178.443 176.000 0.053 0.000 0.985 272 Q CA 1.550 57.402 55.803 0.081 0.000 0.863 272 Q CB -0.430 28.373 28.738 0.108 0.000 0.904 272 Q HN 0.529 nan 8.270 nan 0.000 0.422 273 R N 0.996 121.510 120.500 0.023 0.000 2.148 273 R HA -0.111 4.229 4.340 0.000 0.000 0.227 273 R C 1.387 177.645 176.300 -0.071 0.000 1.103 273 R CA 0.996 57.086 56.100 -0.016 0.000 0.983 273 R CB 0.205 30.444 30.300 -0.103 0.000 0.874 273 R HN 0.376 nan 8.270 nan 0.000 0.451 274 E N -1.722 118.405 120.200 -0.121 0.000 2.318 274 E HA -0.075 4.275 4.350 0.000 0.000 0.193 274 E C 1.104 177.660 176.600 -0.074 0.000 0.998 274 E CA 0.492 56.807 56.400 -0.141 0.000 0.859 274 E CB 0.174 29.753 29.700 -0.202 0.000 0.812 274 E HN 0.567 nan 8.360 nan 0.000 0.492 275 H N -0.073 118.993 119.070 -0.007 0.000 2.539 275 H HA 0.156 4.712 4.556 0.000 0.000 0.267 275 H C 0.781 176.112 175.328 0.005 0.000 0.982 275 H CA -0.271 55.778 56.048 0.001 0.000 1.146 275 H CB 0.459 30.227 29.762 0.009 0.000 1.382 275 H HN 0.147 nan 8.280 nan 0.000 0.577 276 G N 1.287 110.150 108.800 0.105 0.000 2.901 276 G HA2 -0.241 3.719 3.960 0.000 0.000 0.654 276 G HA3 -0.241 3.719 3.960 0.000 0.000 0.654 276 G C 0.030 174.979 174.900 0.083 0.000 1.550 276 G CA 0.032 45.175 45.100 0.072 0.000 0.978 276 G HN 0.488 nan 8.290 nan 0.000 0.566 277 T N -1.811 112.782 114.554 0.066 0.000 2.865 277 T HA 0.716 5.066 4.350 0.000 0.000 0.294 277 T C 0.125 174.856 174.700 0.052 0.000 1.119 277 T CA -0.198 61.940 62.100 0.063 0.000 1.007 277 T CB 2.033 70.943 68.868 0.070 0.000 1.225 277 T HN 0.868 nan 8.240 nan 0.000 0.515 278 E N 0.961 121.192 120.200 0.051 0.000 2.492 278 E HA 0.169 4.520 4.350 0.000 0.000 0.266 278 E C -0.003 176.626 176.600 0.048 0.000 1.187 278 E CA 0.128 56.557 56.400 0.050 0.000 1.036 278 E CB 0.338 30.071 29.700 0.054 0.000 0.994 278 E HN 0.694 nan 8.360 nan 0.000 0.468 279 K N -0.031 120.394 120.400 0.043 0.000 2.480 279 K HA 0.565 4.886 4.320 0.000 0.000 0.258 279 K C -1.385 175.241 176.600 0.042 0.000 0.990 279 K CA -0.946 55.366 56.287 0.042 0.000 0.857 279 K CB 1.112 33.628 32.500 0.027 0.000 1.384 279 K HN 0.243 nan 8.250 nan 0.000 0.446 280 L N 2.338 123.590 121.223 0.050 0.000 2.272 280 L HA 0.436 4.776 4.340 0.000 0.000 0.289 280 L C -0.768 176.124 176.870 0.036 0.000 1.032 280 L CA -0.362 54.511 54.840 0.055 0.000 0.810 280 L CB 1.566 43.670 42.059 0.075 0.000 1.205 280 L HN 0.634 nan 8.230 nan 0.000 0.422 281 V N 1.916 121.849 119.914 0.032 0.000 3.113 281 V HA 0.993 5.113 4.120 0.000 0.000 0.316 281 V C 0.227 176.347 176.094 0.044 0.000 1.125 281 V CA -0.304 62.001 62.300 0.008 0.000 1.026 281 V CB 1.292 33.107 31.823 -0.012 0.000 1.080 281 V HN 0.791 nan 8.190 nan 0.000 0.444 282 G N 0.556 109.364 108.800 0.014 0.000 2.437 282 G HA2 0.686 4.646 3.960 0.000 0.000 0.319 282 G HA3 0.686 4.646 3.960 0.000 0.000 0.319 282 G C -1.102 173.919 174.900 0.202 0.000 1.158 282 G CA -0.868 44.330 45.100 0.163 0.000 0.899 282 G HN 0.829 nan 8.290 nan 0.000 0.502 283 L N 0.494 121.911 121.223 0.322 0.000 2.386 283 L HA 0.537 4.877 4.340 0.000 0.000 0.271 283 L C -0.744 176.263 176.870 0.228 0.000 0.993 283 L CA -1.076 53.878 54.840 0.191 0.000 0.819 283 L CB 2.489 44.617 42.059 0.114 0.000 1.294 283 L HN 0.182 nan 8.230 nan 0.000 0.414 284 V N 3.587 123.598 119.914 0.163 0.000 2.487 284 V HA 0.435 4.556 4.120 0.000 0.000 0.298 284 V C -0.249 175.861 176.094 0.027 0.000 1.028 284 V CA -0.323 62.060 62.300 0.139 0.000 0.860 284 V CB 1.987 33.905 31.823 0.157 0.000 0.991 284 V HN 0.758 nan 8.190 nan 0.000 0.427 285 M N 4.509 124.120 119.600 0.019 0.000 2.027 285 M HA 0.233 4.714 4.480 0.000 0.000 0.329 285 M C 1.099 177.341 176.300 -0.095 0.000 0.971 285 M CA -0.405 54.881 55.300 -0.023 0.000 0.933 285 M CB 1.424 34.038 32.600 0.023 0.000 1.392 285 M HN 0.899 nan 8.290 nan 0.000 0.394 286 T N -0.048 114.349 114.554 -0.261 0.000 2.985 286 T HA 0.074 4.424 4.350 0.000 0.000 0.266 286 T C 0.372 174.993 174.700 -0.132 0.000 1.076 286 T CA 0.481 62.334 62.100 -0.411 0.000 1.135 286 T CB -0.253 68.310 68.868 -0.507 0.000 0.890 286 T HN 0.594 nan 8.240 nan 0.000 0.480 287 E N 1.966 122.126 120.200 -0.067 0.000 2.415 287 E HA 0.296 4.646 4.350 0.000 0.000 0.262 287 E C -0.167 176.458 176.600 0.041 0.000 1.038 287 E CA -0.159 56.236 56.400 -0.008 0.000 0.921 287 E CB 0.319 30.018 29.700 -0.002 0.000 0.950 287 E HN 0.446 nan 8.360 nan 0.000 0.438 288 K N 1.431 121.866 120.400 0.059 0.000 2.485 288 K HA 0.417 4.737 4.320 0.000 0.000 0.277 288 K C 0.413 177.064 176.600 0.085 0.000 0.990 288 K CA 0.516 56.858 56.287 0.093 0.000 0.994 288 K CB 0.300 32.844 32.500 0.074 0.000 0.906 288 K HN 0.716 nan 8.250 nan 0.000 0.488 289 G N -0.151 108.720 108.800 0.119 0.000 2.361 289 G HA2 0.144 4.104 3.960 0.000 0.000 0.331 289 G HA3 0.144 4.104 3.960 0.000 0.000 0.331 289 G C -1.764 173.225 174.900 0.150 0.000 1.324 289 G CA -1.087 44.071 45.100 0.097 0.000 0.984 289 G HN 0.392 nan 8.290 nan 0.000 0.586 290 V N 0.711 120.693 119.914 0.113 0.000 2.569 290 V HA 0.530 4.650 4.120 0.000 0.000 0.301 290 V C 0.534 176.675 176.094 0.079 0.000 1.044 290 V CA -0.703 61.675 62.300 0.129 0.000 0.874 290 V CB 1.419 33.311 31.823 0.115 0.000 1.002 290 V HN 0.772 nan 8.190 nan 0.000 0.424 291 L N 5.442 126.704 121.223 0.066 0.000 2.426 291 L HA 0.487 4.828 4.340 0.000 0.000 0.271 291 L C 0.385 177.282 176.870 0.045 0.000 1.169 291 L CA -0.046 54.822 54.840 0.047 0.000 0.836 291 L CB 0.344 42.423 42.059 0.033 0.000 1.112 291 L HN 0.552 nan 8.230 nan 0.000 0.465 292 R N 1.513 122.039 120.500 0.043 0.000 2.854 292 R HA 0.369 4.710 4.340 0.000 0.000 0.271 292 R C -0.744 175.582 176.300 0.044 0.000 0.996 292 R CA -1.340 54.786 56.100 0.044 0.000 0.961 292 R CB 0.977 31.302 30.300 0.041 0.000 1.182 292 R HN 0.470 nan 8.270 nan 0.000 0.479 293 N N 2.147 120.875 118.700 0.047 0.000 2.294 293 N HA -0.081 4.659 4.740 0.000 0.000 0.248 293 N C 0.194 175.731 175.510 0.044 0.000 1.242 293 N CA 0.795 53.874 53.050 0.048 0.000 0.848 293 N CB 0.160 38.679 38.487 0.053 0.000 1.084 293 N HN 0.584 nan 8.380 nan 0.000 0.457 294 E N -2.335 117.891 120.200 0.044 0.000 4.028 294 E HA -0.233 4.117 4.350 0.000 0.000 0.343 294 E C -0.645 175.979 176.600 0.040 0.000 0.700 294 E CA 0.307 56.730 56.400 0.040 0.000 1.288 294 E CB -0.954 28.767 29.700 0.035 0.000 1.677 294 E HN 0.248 nan 8.360 nan 0.000 0.424 295 L N 1.392 122.641 121.223 0.043 0.000 2.456 295 L HA 0.221 4.562 4.340 0.000 0.000 0.272 295 L C -1.904 174.996 176.870 0.049 0.000 1.189 295 L CA -1.152 53.714 54.840 0.043 0.000 0.846 295 L CB -0.401 41.684 42.059 0.044 0.000 1.111 295 L HN -0.181 nan 8.230 nan 0.000 0.475 296 P HA 0.212 nan 4.420 nan 0.000 0.275 296 P C -1.108 176.233 177.300 0.069 0.000 1.228 296 P CA -0.289 62.843 63.100 0.054 0.000 0.786 296 P CB 0.903 32.629 31.700 0.042 0.000 0.927 297 V N 4.368 124.338 119.914 0.092 0.000 2.376 297 V HA 0.419 4.539 4.120 0.000 0.000 0.287 297 V C 0.264 176.463 176.094 0.175 0.000 1.015 297 V CA -0.463 61.910 62.300 0.122 0.000 0.834 297 V CB 1.030 32.928 31.823 0.125 0.000 1.001 297 V HN 0.454 nan 8.190 nan 0.000 0.428 298 R N 4.448 125.048 120.500 0.166 0.000 2.637 298 R HA 0.852 5.192 4.340 0.000 0.000 0.291 298 R C -1.119 175.337 176.300 0.261 0.000 0.963 298 R CA -0.508 55.683 56.100 0.152 0.000 0.901 298 R CB 2.429 32.766 30.300 0.061 0.000 1.160 298 R HN 0.716 nan 8.270 nan 0.000 0.457 299 F N -2.163 117.827 119.950 0.067 0.000 2.686 299 F HA 0.561 5.088 4.527 0.001 0.000 0.311 299 F C -1.374 174.486 175.800 0.099 0.000 1.128 299 F CA -0.868 57.175 58.000 0.072 0.000 0.946 299 F CB 1.865 40.907 39.000 0.070 0.000 1.336 299 F HN 0.196 nan 8.300 nan 0.000 0.457 300 T N 1.920 116.567 114.554 0.154 0.000 2.840 300 T HA 0.399 4.749 4.350 0.000 0.000 0.287 300 T C -1.010 173.814 174.700 0.207 0.000 0.991 300 T CA -0.611 61.517 62.100 0.047 0.000 0.964 300 T CB 1.156 70.038 68.868 0.023 0.000 0.954 300 T HN 0.773 nan 8.240 nan 0.000 0.438 301 D N 2.119 122.645 120.400 0.210 0.000 2.393 301 D HA 0.375 5.015 4.640 0.000 0.000 0.246 301 D C 1.616 178.004 176.300 0.146 0.000 1.275 301 D CA -0.528 53.626 54.000 0.256 0.000 0.979 301 D CB 0.264 41.236 40.800 0.288 0.000 1.101 301 D HN 0.420 nan 8.370 nan 0.000 0.505 302 A N -0.418 122.475 122.820 0.121 0.000 1.997 302 A HA -0.280 4.040 4.320 0.000 0.000 0.221 302 A C 1.952 179.570 177.584 0.057 0.000 1.172 302 A CA 1.779 53.861 52.037 0.076 0.000 0.645 302 A CB -0.773 18.263 19.000 0.061 0.000 0.813 302 A HN 0.468 nan 8.150 nan 0.000 0.454 303 Q N -1.912 117.925 119.800 0.061 0.000 2.432 303 Q HA 0.266 4.607 4.340 0.000 0.000 0.205 303 Q C 1.397 177.408 176.000 0.019 0.000 0.945 303 Q CA 0.911 56.737 55.803 0.038 0.000 0.924 303 Q CB -0.163 28.599 28.738 0.041 0.000 1.016 303 Q HN 1.043 nan 8.270 nan 0.000 0.503 304 G N 0.030 108.842 108.800 0.021 0.000 2.176 304 G HA2 -0.233 3.727 3.960 0.000 0.000 0.253 304 G HA3 -0.233 3.727 3.960 0.000 0.000 0.253 304 G C -0.097 174.774 174.900 -0.049 0.000 0.979 304 G CA -0.068 45.029 45.100 -0.005 0.000 0.641 304 G HN 0.267 nan 8.290 nan 0.000 0.530 305 N N 1.306 119.964 118.700 -0.070 0.000 2.488 305 N HA 0.322 5.062 4.740 0.000 0.000 0.274 305 N C 0.461 175.733 175.510 -0.396 0.000 1.111 305 N CA 0.062 52.992 53.050 -0.200 0.000 0.974 305 N CB 0.753 39.129 38.487 -0.186 0.000 1.089 305 N HN 0.495 nan 8.380 nan 0.000 0.465 306 Q N 1.445 120.989 119.800 -0.426 0.000 2.354 306 Q HA 0.247 4.588 4.340 0.000 0.000 0.244 306 Q C -0.389 175.103 176.000 -0.846 0.000 0.969 306 Q CA 0.100 55.619 55.803 -0.473 0.000 0.885 306 Q CB 1.015 29.596 28.738 -0.263 0.000 1.241 306 Q HN 0.549 nan 8.270 nan 0.000 0.461 307 H N 0.329 119.082 119.070 -0.528 0.000 2.985 307 H HA 0.431 4.987 4.556 0.000 0.000 0.360 307 H C -1.145 173.943 175.328 -0.400 0.000 1.221 307 H CA -0.610 55.114 56.048 -0.540 0.000 1.121 307 H CB 2.210 31.434 29.762 -0.896 0.000 1.854 307 H HN 0.617 nan 8.280 nan 0.000 0.551 308 E N 0.331 120.526 120.200 -0.009 0.000 2.304 308 E HA 0.499 4.849 4.350 0.000 0.000 0.277 308 E C -1.022 175.665 176.600 0.146 0.000 0.898 308 E CA -0.660 55.783 56.400 0.070 0.000 0.764 308 E CB 2.378 32.093 29.700 0.024 0.000 1.216 308 E HN 0.809 nan 8.360 nan 0.000 0.419 309 G N 2.935 111.841 108.800 0.177 0.000 3.209 309 G HA2 0.742 4.703 3.960 0.000 0.000 0.236 309 G HA3 0.742 4.703 3.960 0.000 0.000 0.236 309 G C -1.193 173.768 174.900 0.103 0.000 1.329 309 G CA -0.625 44.561 45.100 0.144 0.000 1.015 309 G HN 0.523 nan 8.290 nan 0.000 0.571 310 I N -0.500 120.122 120.570 0.086 0.000 2.752 310 I HA 0.417 4.588 4.170 0.000 0.000 0.295 310 I C -0.814 175.343 176.117 0.066 0.000 1.219 310 I CA -1.106 60.236 61.300 0.069 0.000 1.030 310 I CB 2.123 40.157 38.000 0.055 0.000 1.259 310 I HN 0.316 nan 8.210 nan 0.000 0.423 311 I N 6.073 126.680 120.570 0.062 0.000 2.533 311 I HA 0.042 4.212 4.170 0.000 0.000 0.284 311 I C 1.407 177.558 176.117 0.057 0.000 1.109 311 I CA 0.237 61.575 61.300 0.062 0.000 1.412 311 I CB 1.415 39.449 38.000 0.057 0.000 1.396 311 I HN 0.732 nan 8.210 nan 0.000 0.543 312 T N 0.950 115.541 114.554 0.061 0.000 2.939 312 T HA 0.080 4.430 4.350 0.000 0.000 0.254 312 T C 0.720 175.458 174.700 0.062 0.000 1.041 312 T CA 0.125 62.259 62.100 0.057 0.000 1.142 312 T CB 0.228 69.130 68.868 0.058 0.000 0.874 312 T HN 0.481 nan 8.240 nan 0.000 0.452 313 S N -0.137 115.603 115.700 0.067 0.000 2.548 313 S HA 0.701 5.171 4.470 0.000 0.000 0.276 313 S C -0.433 174.193 174.600 0.042 0.000 1.129 313 S CA -0.831 57.407 58.200 0.062 0.000 0.931 313 S CB 2.023 65.266 63.200 0.071 0.000 1.068 313 S HN 0.788 nan 8.310 nan 0.000 0.480 314 G N 0.539 109.359 108.800 0.032 0.000 2.591 314 G HA2 0.750 4.711 3.960 0.000 0.000 0.306 314 G HA3 0.750 4.711 3.960 0.000 0.000 0.306 314 G C -0.924 173.981 174.900 0.008 0.000 1.334 314 G CA -0.490 44.617 45.100 0.011 0.000 0.981 314 G HN 0.674 nan 8.290 nan 0.000 0.491 315 T N -0.329 114.211 114.554 -0.022 0.000 2.665 315 T HA 0.588 4.938 4.350 0.000 0.000 0.303 315 T C -2.009 172.704 174.700 0.022 0.000 1.334 315 T CA -0.499 61.606 62.100 0.009 0.000 1.011 315 T CB 1.163 70.022 68.868 -0.013 0.000 1.573 315 T HN 0.534 nan 8.240 nan 0.000 0.492 316 F N 2.191 122.082 119.950 -0.098 0.000 2.411 316 F HA 0.649 5.176 4.527 0.000 0.000 0.352 316 F C 0.311 175.996 175.800 -0.191 0.000 1.123 316 F CA -0.514 57.415 58.000 -0.119 0.000 1.044 316 F CB 1.452 40.397 39.000 -0.091 0.000 1.135 316 F HN 0.373 nan 8.300 nan 0.000 0.461 317 S N 8.010 123.270 115.700 -0.733 0.000 2.430 317 S HA 0.270 4.740 4.470 0.000 0.000 0.282 317 S C -1.790 172.423 174.600 -0.646 0.000 1.186 317 S CA -1.256 56.566 58.200 -0.630 0.000 1.060 317 S CB 0.742 63.535 63.200 -0.677 0.000 0.966 317 S HN 0.532 nan 8.310 nan 0.000 0.501 318 P HA 0.012 nan 4.420 nan 0.000 0.221 318 P C 1.226 178.380 177.300 -0.242 0.000 1.150 318 P CA 0.842 63.775 63.100 -0.278 0.000 0.800 318 P CB 0.101 31.492 31.700 -0.515 0.000 0.787 319 T N -0.717 113.680 114.554 -0.263 0.000 2.896 319 T HA 0.047 4.397 4.350 0.000 0.000 0.263 319 T C 1.604 176.198 174.700 -0.177 0.000 1.050 319 T CA 0.946 63.008 62.100 -0.063 0.000 1.140 319 T CB -0.577 68.342 68.868 0.085 0.000 0.877 319 T HN 0.050 nan 8.240 nan 0.000 0.457 320 L N 0.049 121.039 121.223 -0.388 0.000 2.209 320 L HA 0.273 4.613 4.340 0.000 0.000 0.207 320 L C 2.011 178.509 176.870 -0.621 0.000 1.094 320 L CA 0.651 55.134 54.840 -0.594 0.000 0.790 320 L CB -0.391 41.041 42.059 -1.045 0.000 0.932 320 L HN 0.475 nan 8.230 nan 0.000 0.447 321 G N -0.376 108.057 108.800 -0.612 0.000 2.132 321 G HA2 -0.292 3.669 3.960 0.000 0.000 0.234 321 G HA3 -0.292 3.669 3.960 0.000 0.000 0.234 321 G C -0.094 174.555 174.900 -0.418 0.000 0.989 321 G CA 0.286 45.185 45.100 -0.336 0.000 0.676 321 G HN 0.455 nan 8.290 nan 0.000 0.522 322 Y N -2.472 117.335 120.300 -0.821 0.000 2.725 322 Y HA 0.812 5.363 4.550 0.000 0.000 0.333 322 Y C -0.063 175.407 175.900 -0.717 0.000 1.242 322 Y CA -1.214 56.521 58.100 -0.609 0.000 1.059 322 Y CB 0.448 38.776 38.460 -0.220 0.000 1.306 322 Y HN 0.502 nan 8.280 nan 0.000 0.454 323 S N 1.520 117.176 115.700 -0.074 0.000 2.584 323 S HA 0.767 5.237 4.470 0.000 0.000 0.273 323 S C -0.466 174.090 174.600 -0.074 0.000 1.311 323 S CA -0.354 57.788 58.200 -0.097 0.000 1.034 323 S CB -0.276 62.960 63.200 0.060 0.000 0.939 323 S HN 0.840 nan 8.310 nan 0.000 0.513 324 I N 0.525 120.954 120.570 -0.235 0.000 3.174 324 I HA 1.003 5.173 4.170 0.000 0.000 0.313 324 I C -0.736 175.216 176.117 -0.275 0.000 1.155 324 I CA -1.326 59.745 61.300 -0.381 0.000 0.977 324 I CB 1.832 39.212 38.000 -1.034 0.000 1.248 324 I HN 0.755 nan 8.210 nan 0.000 0.453 325 A N 2.990 125.699 122.820 -0.186 0.000 2.601 325 A HA 0.773 5.093 4.320 0.000 0.000 0.291 325 A C -1.814 175.871 177.584 0.167 0.000 1.075 325 A CA -0.652 51.380 52.037 -0.009 0.000 0.671 325 A CB 1.512 20.531 19.000 0.032 0.000 1.277 325 A HN 0.737 nan 8.150 nan 0.000 0.417 326 L N 0.420 121.731 121.223 0.147 0.000 2.334 326 L HA 0.864 5.204 4.340 0.000 0.000 0.273 326 L C 0.275 177.212 176.870 0.112 0.000 1.013 326 L CA -0.517 54.424 54.840 0.168 0.000 0.816 326 L CB 2.010 44.162 42.059 0.156 0.000 1.278 326 L HN 1.089 nan 8.230 nan 0.000 0.431 327 A N 2.513 125.393 122.820 0.099 0.000 2.547 327 A HA 0.616 4.936 4.320 0.000 0.000 0.297 327 A C -1.232 176.394 177.584 0.070 0.000 1.056 327 A CA -0.658 51.427 52.037 0.080 0.000 0.688 327 A CB 1.757 20.804 19.000 0.079 0.000 1.282 327 A HN 0.726 nan 8.150 nan 0.000 0.400 328 R N 1.363 121.903 120.500 0.066 0.000 2.229 328 R HA 0.637 4.977 4.340 0.000 0.000 0.328 328 R C -0.754 175.590 176.300 0.072 0.000 1.009 328 R CA -0.200 55.937 56.100 0.061 0.000 0.864 328 R CB 0.817 31.149 30.300 0.054 0.000 1.085 328 R HN 1.065 nan 8.270 nan 0.000 0.453 329 V N 1.570 121.526 119.914 0.070 0.000 3.130 329 V HA 0.664 4.784 4.120 0.000 0.000 0.310 329 V C -2.753 173.399 176.094 0.097 0.000 1.158 329 V CA -3.038 59.322 62.300 0.101 0.000 1.029 329 V CB 1.862 33.726 31.823 0.069 0.000 1.057 329 V HN 0.649 nan 8.190 nan 0.000 0.436 330 P HA 0.108 nan 4.420 nan 0.000 0.264 330 P C 0.786 178.119 177.300 0.055 0.000 1.183 330 P CA 0.339 63.516 63.100 0.129 0.000 0.763 330 P CB 0.478 32.306 31.700 0.214 0.000 0.807 331 E N 2.672 122.889 120.200 0.028 0.000 2.147 331 E HA -0.173 4.177 4.350 0.000 0.000 0.199 331 E C 1.867 178.445 176.600 -0.036 0.000 1.005 331 E CA 1.963 58.361 56.400 -0.003 0.000 0.810 331 E CB -0.620 29.084 29.700 0.005 0.000 0.736 331 E HN 0.660 nan 8.360 nan 0.000 0.460 332 G N 0.578 109.366 108.800 -0.020 0.000 3.181 332 G HA2 0.044 4.004 3.960 0.000 0.000 0.219 332 G HA3 0.044 4.004 3.960 0.000 0.000 0.219 332 G C 0.755 175.581 174.900 -0.123 0.000 1.182 332 G CA -0.443 44.638 45.100 -0.032 0.000 0.791 332 G HN 0.173 nan 8.290 nan 0.000 0.537 333 I N 1.245 121.594 120.570 -0.367 0.000 2.815 333 I HA 0.321 4.491 4.170 0.000 0.000 0.291 333 I C 1.254 177.061 176.117 -0.516 0.000 1.209 333 I CA 0.027 60.729 61.300 -0.996 0.000 1.431 333 I CB 0.800 38.254 38.000 -0.910 0.000 1.351 333 I HN 0.117 nan 8.210 nan 0.000 0.585 334 G N 4.804 113.316 108.800 -0.481 0.000 2.695 334 G HA2 0.172 4.132 3.960 0.000 0.000 0.213 334 G HA3 0.172 4.132 3.960 0.000 0.000 0.213 334 G C 0.426 175.219 174.900 -0.178 0.000 1.406 334 G CA -0.236 44.739 45.100 -0.208 0.000 1.049 334 G HN 0.698 nan 8.290 nan 0.000 0.573 335 E N -0.361 119.780 120.200 -0.099 0.000 2.418 335 E HA 0.024 4.374 4.350 0.000 0.000 0.197 335 E C 0.778 177.344 176.600 -0.056 0.000 1.026 335 E CA 1.087 57.444 56.400 -0.071 0.000 0.862 335 E CB 0.036 29.710 29.700 -0.044 0.000 0.799 335 E HN 0.477 nan 8.360 nan 0.000 0.518 336 T N -2.693 111.829 114.554 -0.053 0.000 2.821 336 T HA 0.746 5.097 4.350 0.000 0.000 0.306 336 T C -0.767 173.936 174.700 0.005 0.000 1.313 336 T CA -0.564 61.527 62.100 -0.016 0.000 1.012 336 T CB 2.430 71.302 68.868 0.005 0.000 1.298 336 T HN 0.034 nan 8.240 nan 0.000 0.502 337 A N 0.754 123.598 122.820 0.040 0.000 2.557 337 A HA 0.856 5.176 4.320 0.000 0.000 0.292 337 A C -1.795 175.841 177.584 0.086 0.000 1.139 337 A CA -1.058 51.039 52.037 0.100 0.000 0.665 337 A CB 0.997 20.061 19.000 0.106 0.000 1.285 337 A HN 0.959 nan 8.150 nan 0.000 0.433 338 I N 0.311 120.944 120.570 0.105 0.000 2.509 338 I HA 0.562 4.732 4.170 0.000 0.000 0.293 338 I C -1.110 175.050 176.117 0.072 0.000 1.020 338 I CA -0.984 60.361 61.300 0.074 0.000 1.088 338 I CB 2.122 40.160 38.000 0.064 0.000 1.267 338 I HN 0.320 nan 8.210 nan 0.000 0.430 339 V N 5.226 125.173 119.914 0.056 0.000 2.531 339 V HA 0.306 4.426 4.120 0.000 0.000 0.301 339 V C -0.362 175.757 176.094 0.041 0.000 1.034 339 V CA -0.652 61.679 62.300 0.052 0.000 0.865 339 V CB 1.796 33.650 31.823 0.051 0.000 0.995 339 V HN 0.711 nan 8.190 nan 0.000 0.424 340 Q N 4.295 124.118 119.800 0.038 0.000 2.296 340 Q HA 0.593 4.934 4.340 0.000 0.000 0.257 340 Q C -1.119 174.899 176.000 0.030 0.000 0.942 340 Q CA -0.132 55.690 55.803 0.031 0.000 0.939 340 Q CB 0.974 29.728 28.738 0.026 0.000 1.198 340 Q HN 0.718 nan 8.270 nan 0.000 0.429 341 I N 5.229 125.816 120.570 0.028 0.000 2.389 341 I HA 0.348 4.518 4.170 0.000 0.000 0.288 341 I C 0.652 176.783 176.117 0.023 0.000 0.999 341 I CA -0.687 60.630 61.300 0.028 0.000 1.129 341 I CB 1.402 39.421 38.000 0.031 0.000 1.288 341 I HN 0.929 nan 8.210 nan 0.000 0.444 342 R N 3.396 123.908 120.500 0.021 0.000 3.442 342 R HA -0.275 4.065 4.340 0.000 0.000 0.216 342 R C 0.789 177.099 176.300 0.015 0.000 0.747 342 R CA 2.335 58.445 56.100 0.017 0.000 1.290 342 R CB -0.768 29.541 30.300 0.015 0.000 0.787 342 R HN 0.731 nan 8.270 nan 0.000 0.625 343 N N -0.044 118.664 118.700 0.014 0.000 2.082 343 N HA 0.096 4.837 4.740 0.000 0.000 0.228 343 N C -0.644 174.874 175.510 0.013 0.000 1.341 343 N CA -0.099 52.959 53.050 0.013 0.000 0.873 343 N CB 0.817 39.310 38.487 0.010 0.000 1.137 343 N HN 0.142 nan 8.380 nan 0.000 0.505 344 R N 1.774 122.283 120.500 0.015 0.000 2.438 344 R HA 0.108 4.449 4.340 0.000 0.000 0.287 344 R C -0.273 176.039 176.300 0.019 0.000 1.077 344 R CA 0.039 56.149 56.100 0.015 0.000 1.034 344 R CB 0.605 30.914 30.300 0.016 0.000 0.993 344 R HN -0.047 nan 8.270 nan 0.000 0.459 345 E N 5.339 125.550 120.200 0.018 0.000 2.105 345 E HA 0.114 4.464 4.350 0.000 0.000 0.285 345 E C -0.405 176.208 176.600 0.022 0.000 1.055 345 E CA -0.096 56.317 56.400 0.021 0.000 0.843 345 E CB 1.139 30.851 29.700 0.019 0.000 1.067 345 E HN 0.360 nan 8.360 nan 0.000 0.398 346 M N 4.701 124.317 119.600 0.027 0.000 2.205 346 M HA 0.365 4.846 4.480 0.000 0.000 0.344 346 M C -2.394 173.921 176.300 0.026 0.000 1.085 346 M CA -2.806 52.509 55.300 0.024 0.000 1.001 346 M CB 1.235 33.851 32.600 0.026 0.000 1.626 346 M HN 0.032 nan 8.290 nan 0.000 0.442 347 P HA 0.408 nan 4.420 nan 0.000 0.278 347 P C -0.857 176.450 177.300 0.012 0.000 1.238 347 P CA -0.371 62.740 63.100 0.018 0.000 0.794 347 P CB 1.016 32.721 31.700 0.008 0.000 0.955 348 V N -0.712 119.213 119.914 0.019 0.000 2.962 348 V HA 0.613 4.734 4.120 0.000 0.000 0.313 348 V C -0.335 175.764 176.094 0.008 0.000 1.099 348 V CA -1.308 61.000 62.300 0.015 0.000 0.971 348 V CB 2.051 33.895 31.823 0.034 0.000 1.028 348 V HN 0.451 nan 8.190 nan 0.000 0.430 349 K N 1.810 122.212 120.400 0.004 0.000 2.156 349 K HA 0.698 5.019 4.320 0.000 0.000 0.271 349 K C -1.072 175.537 176.600 0.014 0.000 0.995 349 K CA -0.588 55.698 56.287 -0.001 0.000 0.890 349 K CB 1.813 34.306 32.500 -0.011 0.000 1.073 349 K HN 0.705 nan 8.250 nan 0.000 0.454 350 V N 4.185 124.091 119.914 -0.013 0.000 2.432 350 V HA 0.284 4.404 4.120 0.000 0.000 0.275 350 V C 0.244 176.320 176.094 -0.030 0.000 1.043 350 V CA -0.346 61.940 62.300 -0.024 0.000 0.925 350 V CB 0.904 32.680 31.823 -0.078 0.000 0.985 350 V HN 1.063 nan 8.190 nan 0.000 0.466 351 T N 1.773 116.311 114.554 -0.026 0.000 2.838 351 T HA 0.539 4.889 4.350 0.000 0.000 0.292 351 T C -0.450 174.180 174.700 -0.116 0.000 1.113 351 T CA -1.105 60.956 62.100 -0.066 0.000 1.008 351 T CB 1.882 70.712 68.868 -0.064 0.000 1.259 351 T HN 0.646 nan 8.240 nan 0.000 0.520 352 K N 0.645 120.951 120.400 -0.156 0.000 2.440 352 K HA 0.139 4.459 4.320 0.000 0.000 0.270 352 K C -2.371 174.047 176.600 -0.303 0.000 0.980 352 K CA -1.168 55.008 56.287 -0.185 0.000 0.953 352 K CB -0.439 31.953 32.500 -0.181 0.000 0.925 352 K HN 0.446 nan 8.250 nan 0.000 0.497 353 P HA 0.093 nan 4.420 nan 0.000 0.218 353 P C -0.714 176.355 177.300 -0.384 0.000 1.793 353 P CA -0.215 62.725 63.100 -0.266 0.000 0.941 353 P CB 0.254 31.907 31.700 -0.078 0.000 1.919 354 V N 0.547 120.050 119.914 -0.684 0.000 3.204 354 V HA 0.468 4.588 4.120 0.000 0.000 0.298 354 V C -0.717 174.872 176.094 -0.842 0.000 1.328 354 V CA -0.515 61.446 62.300 -0.565 0.000 1.035 354 V CB 1.975 33.634 31.823 -0.273 0.000 1.095 354 V HN -0.007 nan 8.190 nan 0.000 0.442 355 F N 2.807 122.731 119.950 -0.044 0.000 2.570 355 F HA 0.564 5.092 4.527 0.000 0.000 0.290 355 F C 0.182 175.955 175.800 -0.046 0.000 0.910 355 F CA 0.092 58.068 58.000 -0.039 0.000 1.119 355 F CB 0.890 39.860 39.000 -0.049 0.000 0.922 355 F HN 0.300 nan 8.300 nan 0.000 0.703 356 V N 1.858 121.857 119.914 0.141 0.000 2.733 356 V HA 0.608 4.728 4.120 0.000 0.000 0.306 356 V C -0.916 175.187 176.094 0.015 0.000 1.084 356 V CA -0.818 61.519 62.300 0.061 0.000 0.905 356 V CB 2.351 34.214 31.823 0.067 0.000 1.010 356 V HN 0.030 nan 8.190 nan 0.000 0.424 357 R N 2.848 123.342 120.500 -0.012 0.000 2.698 357 R HA 0.475 4.816 4.340 0.000 0.000 0.275 357 R C -0.331 175.951 176.300 -0.030 0.000 1.001 357 R CA -0.806 55.276 56.100 -0.029 0.000 0.896 357 R CB 1.770 32.042 30.300 -0.046 0.000 1.218 357 R HN 0.860 nan 8.270 nan 0.000 0.462 358 N N 0.897 119.576 118.700 -0.035 0.000 2.716 358 N HA -0.232 4.509 4.740 0.000 0.000 0.250 358 N C 0.713 176.200 175.510 -0.038 0.000 1.033 358 N CA 1.515 54.542 53.050 -0.038 0.000 0.727 358 N CB -0.773 37.694 38.487 -0.033 0.000 0.950 358 N HN 1.090 nan 8.380 nan 0.000 0.541 359 G N -1.347 107.429 108.800 -0.040 0.000 2.179 359 G HA2 -0.336 3.624 3.960 0.000 0.000 0.260 359 G HA3 -0.336 3.624 3.960 0.000 0.000 0.260 359 G C -0.007 174.882 174.900 -0.018 0.000 0.977 359 G CA 0.973 46.050 45.100 -0.038 0.000 0.641 359 G HN 0.503 nan 8.290 nan 0.000 0.533 360 K N 0.100 120.493 120.400 -0.013 0.000 2.464 360 K HA 0.681 5.001 4.320 0.000 0.000 0.253 360 K C 0.303 176.904 176.600 0.002 0.000 0.933 360 K CA -0.246 56.038 56.287 -0.005 0.000 0.801 360 K CB 2.140 34.633 32.500 -0.011 0.000 1.271 360 K HN 0.601 nan 8.250 nan 0.000 0.430 361 A N 1.805 124.631 122.820 0.010 0.000 2.540 361 A HA 0.093 4.413 4.320 0.000 0.000 0.239 361 A C 0.171 177.761 177.584 0.010 0.000 1.061 361 A CA -0.091 51.959 52.037 0.022 0.000 0.758 361 A CB 0.061 19.081 19.000 0.034 0.000 0.991 361 A HN 0.406 nan 8.150 nan 0.000 0.502 362 V N 3.756 123.672 119.914 0.005 0.000 2.276 362 V HA 0.368 4.488 4.120 0.000 0.000 0.249 362 V C 1.064 177.146 176.094 -0.020 0.000 1.160 362 V CA 0.302 62.586 62.300 -0.026 0.000 1.042 362 V CB -0.713 31.071 31.823 -0.064 0.000 1.224 362 V HN 1.073 nan 8.190 nan 0.000 0.496 363 A N 0.000 122.816 122.820 -0.007 0.000 2.254 363 A HA 0.000 4.320 4.320 0.000 0.000 0.244 363 A CA 0.000 52.039 52.037 0.003 0.000 0.836 363 A CB 0.000 19.006 19.000 0.010 0.000 0.831 363 A HN 0.000 nan 8.150 nan 0.000 0.486