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 2aum_1_A DATA FIRST_RESID 5 DATA SEQUENCE PSSDQTWQPI DGRVALIAPA SAIATEVLEA TLRQLEVHGV DYHLGRHVEA DATA SEQUENCE RYRYLAGTVE QRLEDLHNAF DMPDITAVWC LRGGYGCGQL LPGLDWGRLE DATA SEQUENCE AASPRPLIGF ADISVLLSAF HRHGLPAIHG PVATGLGLXX XXXXXXXQER DATA SEQUENCE LASLASVSRL LAGIDHELPV QHLGGHKQRV EGALIGGNLT ALACMAGTLG DATA SEQUENCE GLHAPAGSIL VLEDVGEPYY RLERSLWQLL ESIDARQLGA ICLGSFTDCP DATA SEQUENCE RKEVAHSLER IFGEYAAAIE VPLYHHLPSG HGAQNRAWPY GKTAVLEGNR DATA SEQUENCE LRW 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.316 177.300 0.026 0.000 1.155 5 P CA 0.000 63.112 63.100 0.020 0.000 0.800 5 P CB 0.000 31.708 31.700 0.013 0.000 0.726 6 S N -1.050 114.668 115.700 0.030 0.000 2.618 6 S HA 0.783 5.256 4.470 0.005 0.000 0.277 6 S C -0.387 174.236 174.600 0.037 0.000 1.138 6 S CA -0.778 57.445 58.200 0.039 0.000 0.844 6 S CB 1.725 64.955 63.200 0.051 0.000 1.127 6 S HN 0.591 nan 8.310 nan 0.000 0.474 7 S N 0.250 115.977 115.700 0.045 0.000 2.568 7 S HA 0.116 4.589 4.470 0.005 0.000 0.282 7 S C 0.960 175.589 174.600 0.048 0.000 1.338 7 S CA 0.339 58.566 58.200 0.045 0.000 1.045 7 S CB -0.046 63.186 63.200 0.054 0.000 0.873 7 S HN 0.819 nan 8.310 nan 0.000 0.516 8 D N 2.782 123.204 120.400 0.037 0.000 2.309 8 D HA -0.137 4.507 4.640 0.005 0.000 0.212 8 D C 1.296 177.625 176.300 0.048 0.000 0.968 8 D CA 1.135 55.153 54.000 0.030 0.000 0.882 8 D CB -0.313 40.497 40.800 0.018 0.000 0.918 8 D HN 0.593 nan 8.370 nan 0.000 0.503 9 Q N -0.392 119.457 119.800 0.081 0.000 2.451 9 Q HA 0.158 4.501 4.340 0.005 0.000 0.206 9 Q C -0.017 176.119 176.000 0.226 0.000 0.947 9 Q CA 0.483 56.369 55.803 0.138 0.000 0.937 9 Q CB 0.298 29.113 28.738 0.129 0.000 1.025 9 Q HN 0.152 nan 8.270 nan 0.000 0.511 10 T N 1.265 115.928 114.554 0.181 0.000 2.729 10 T HA 0.141 4.494 4.350 0.005 0.000 0.296 10 T C -0.622 174.244 174.700 0.277 0.000 0.928 10 T CA -0.538 61.702 62.100 0.233 0.000 1.045 10 T CB 0.166 69.121 68.868 0.145 0.000 0.902 10 T HN 0.149 nan 8.240 nan 0.000 0.500 11 W N 2.517 123.843 121.300 0.043 0.000 2.126 11 W HA 0.305 4.968 4.660 0.004 0.000 0.346 11 W C 0.712 177.250 176.519 0.032 0.000 1.279 11 W CA -0.674 56.674 57.345 0.005 0.000 1.259 11 W CB 0.292 29.729 29.460 -0.040 0.000 1.133 11 W HN 0.374 nan 8.180 nan 0.000 0.592 12 Q N 1.971 121.897 119.800 0.211 0.000 2.235 12 Q HA 0.358 4.702 4.340 0.005 0.000 0.256 12 Q C -2.025 174.092 176.000 0.194 0.000 0.951 12 Q CA -2.145 53.750 55.803 0.153 0.000 0.890 12 Q CB 0.437 29.212 28.738 0.062 0.000 1.279 12 Q HN 0.048 nan 8.270 nan 0.000 0.444 13 P HA 0.086 nan 4.420 nan 0.000 0.267 13 P C -0.513 176.864 177.300 0.129 0.000 1.200 13 P CA 0.406 63.597 63.100 0.153 0.000 0.772 13 P CB 0.401 32.164 31.700 0.104 0.000 0.855 14 I N 2.327 122.986 120.570 0.149 0.000 2.355 14 I HA 0.238 4.411 4.170 0.005 0.000 0.288 14 I C 0.408 176.580 176.117 0.091 0.000 0.999 14 I CA -0.599 60.767 61.300 0.111 0.000 1.163 14 I CB 1.185 39.273 38.000 0.145 0.000 1.316 14 I HN 0.188 nan 8.210 nan 0.000 0.454 15 D N 4.060 124.496 120.400 0.061 0.000 2.329 15 D HA 0.582 5.225 4.640 0.005 0.000 0.246 15 D C 0.643 176.967 176.300 0.040 0.000 1.111 15 D CA 0.965 54.993 54.000 0.047 0.000 0.941 15 D CB 1.461 42.282 40.800 0.035 0.000 1.169 15 D HN 0.779 nan 8.370 nan 0.000 0.441 16 G N 1.230 110.048 108.800 0.031 0.000 2.562 16 G HA2 -0.249 3.714 3.960 0.005 0.000 0.250 16 G HA3 -0.249 3.714 3.960 0.005 0.000 0.250 16 G C -0.336 174.585 174.900 0.035 0.000 1.269 16 G CA -0.043 45.070 45.100 0.022 0.000 0.919 16 G HN 0.692 nan 8.290 nan 0.000 0.574 17 R N -1.140 119.379 120.500 0.030 0.000 2.599 17 R HA 0.603 4.946 4.340 0.005 0.000 0.295 17 R C -0.597 175.749 176.300 0.077 0.000 0.963 17 R CA -0.720 55.410 56.100 0.051 0.000 0.883 17 R CB 1.884 32.199 30.300 0.024 0.000 1.171 17 R HN 0.569 nan 8.270 nan 0.000 0.450 18 V N 3.860 123.862 119.914 0.147 0.000 2.364 18 V HA 0.392 4.515 4.120 0.005 0.000 0.272 18 V C 0.230 176.444 176.094 0.201 0.000 1.036 18 V CA -0.708 61.702 62.300 0.183 0.000 0.880 18 V CB 1.183 33.179 31.823 0.289 0.000 0.991 18 V HN 0.916 nan 8.190 nan 0.000 0.460 19 A N 6.993 129.896 122.820 0.137 0.000 2.404 19 A HA 0.623 4.946 4.320 0.005 0.000 0.273 19 A C -0.310 177.370 177.584 0.160 0.000 1.144 19 A CA -0.203 51.927 52.037 0.156 0.000 0.806 19 A CB -0.094 18.944 19.000 0.065 0.000 1.080 19 A HN 0.827 nan 8.150 nan 0.000 0.509 20 L N 4.416 125.728 121.223 0.149 0.000 2.272 20 L HA 0.624 4.967 4.340 0.005 0.000 0.289 20 L C -0.003 176.898 176.870 0.051 0.000 1.032 20 L CA -0.289 54.590 54.840 0.066 0.000 0.810 20 L CB 0.800 42.844 42.059 -0.025 0.000 1.205 20 L HN 0.771 nan 8.230 nan 0.000 0.422 21 I N 0.234 120.827 120.570 0.038 0.000 3.042 21 I HA 0.910 5.083 4.170 0.005 0.000 0.310 21 I C -0.603 175.512 176.117 -0.003 0.000 1.117 21 I CA -0.931 60.387 61.300 0.031 0.000 1.003 21 I CB 2.497 40.530 38.000 0.055 0.000 1.228 21 I HN 0.501 nan 8.210 nan 0.000 0.443 22 A N 3.663 126.479 122.820 -0.007 0.000 2.893 22 A HA 0.633 4.956 4.320 0.005 0.000 0.333 22 A C -2.257 175.307 177.584 -0.032 0.000 1.152 22 A CA -1.153 50.870 52.037 -0.025 0.000 0.782 22 A CB -0.032 18.956 19.000 -0.020 0.000 1.108 22 A HN 0.673 nan 8.150 nan 0.000 0.469 23 P HA 0.207 nan 4.420 nan 0.000 0.255 23 P C 0.727 177.969 177.300 -0.097 0.000 1.248 23 P CA 1.170 64.227 63.100 -0.072 0.000 0.807 23 P CB 0.840 32.492 31.700 -0.080 0.000 1.150 24 A N -0.335 122.432 122.820 -0.088 0.000 2.751 24 A HA 0.544 4.868 4.320 0.005 0.000 0.201 24 A C 0.445 177.996 177.584 -0.055 0.000 1.619 24 A CA 0.060 52.030 52.037 -0.113 0.000 1.607 24 A CB -0.423 18.510 19.000 -0.113 0.000 1.580 24 A HN -0.011 nan 8.150 nan 0.000 0.499 25 S N 0.116 115.804 115.700 -0.020 0.000 2.617 25 S HA 0.574 5.047 4.470 0.005 0.000 0.269 25 S C 0.438 175.054 174.600 0.027 0.000 1.292 25 S CA -0.037 58.187 58.200 0.040 0.000 1.010 25 S CB 1.146 64.375 63.200 0.048 0.000 0.944 25 S HN 1.026 nan 8.310 nan 0.000 0.536 26 A N 1.990 124.842 122.820 0.054 0.000 2.406 26 A HA 0.494 4.817 4.320 0.005 0.000 0.243 26 A C -0.198 177.394 177.584 0.013 0.000 1.082 26 A CA -0.218 51.838 52.037 0.033 0.000 0.786 26 A CB -0.054 18.972 19.000 0.044 0.000 1.029 26 A HN 0.616 nan 8.150 nan 0.000 0.495 27 I N 0.760 121.329 120.570 -0.002 0.000 2.404 27 I HA 0.451 4.624 4.170 0.005 0.000 0.293 27 I C 0.757 176.864 176.117 -0.017 0.000 0.992 27 I CA -0.489 60.799 61.300 -0.020 0.000 1.149 27 I CB 0.764 38.741 38.000 -0.038 0.000 1.315 27 I HN 0.714 nan 8.210 nan 0.000 0.446 28 A N 4.422 127.231 122.820 -0.019 0.000 2.388 28 A HA 0.394 4.717 4.320 0.005 0.000 0.257 28 A C 1.237 178.804 177.584 -0.028 0.000 1.095 28 A CA -0.086 51.941 52.037 -0.017 0.000 0.791 28 A CB 0.188 19.179 19.000 -0.014 0.000 1.029 28 A HN 0.844 nan 8.150 nan 0.000 0.489 29 T N 1.055 115.595 114.554 -0.024 0.000 2.777 29 T HA -0.125 4.228 4.350 0.005 0.000 0.266 29 T C 1.793 176.471 174.700 -0.037 0.000 1.040 29 T CA 2.030 64.112 62.100 -0.030 0.000 1.141 29 T CB -0.138 68.716 68.868 -0.023 0.000 0.868 29 T HN 0.817 nan 8.240 nan 0.000 0.444 30 E N 0.786 120.968 120.200 -0.030 0.000 2.106 30 E HA -0.068 4.285 4.350 0.005 0.000 0.192 30 E C 2.079 178.655 176.600 -0.040 0.000 0.984 30 E CA 0.671 57.052 56.400 -0.031 0.000 0.806 30 E CB -0.435 29.252 29.700 -0.022 0.000 0.750 30 E HN 0.248 nan 8.360 nan 0.000 0.458 31 V N 0.689 120.578 119.914 -0.041 0.000 2.358 31 V HA -0.202 3.921 4.120 0.005 0.000 0.246 31 V C 2.335 178.383 176.094 -0.078 0.000 1.047 31 V CA 1.490 63.760 62.300 -0.051 0.000 1.035 31 V CB -0.559 31.238 31.823 -0.043 0.000 0.658 31 V HN 0.317 nan 8.190 nan 0.000 0.452 32 L N 0.283 121.456 121.223 -0.083 0.000 2.042 32 L HA -0.149 4.194 4.340 0.005 0.000 0.210 32 L C 2.489 179.285 176.870 -0.124 0.000 1.076 32 L CA 1.967 56.738 54.840 -0.114 0.000 0.749 32 L CB -0.827 41.172 42.059 -0.100 0.000 0.893 32 L HN 0.282 nan 8.230 nan 0.000 0.432 33 E N -0.096 120.051 120.200 -0.089 0.000 2.072 33 E HA -0.155 4.198 4.350 0.005 0.000 0.191 33 E C 2.210 178.760 176.600 -0.083 0.000 0.985 33 E CA 1.337 57.689 56.400 -0.080 0.000 0.801 33 E CB -0.516 29.152 29.700 -0.052 0.000 0.750 33 E HN 0.617 nan 8.360 nan 0.000 0.452 34 A N 0.844 123.620 122.820 -0.072 0.000 1.972 34 A HA -0.151 4.172 4.320 0.005 0.000 0.219 34 A C 2.437 179.969 177.584 -0.085 0.000 1.169 34 A CA 1.952 53.951 52.037 -0.064 0.000 0.635 34 A CB -0.820 18.151 19.000 -0.047 0.000 0.810 34 A HN 0.220 nan 8.150 nan 0.000 0.446 35 T N 0.602 115.084 114.554 -0.121 0.000 2.708 35 T HA -0.104 4.249 4.350 0.005 0.000 0.266 35 T C 1.788 176.367 174.700 -0.202 0.000 1.037 35 T CA 1.518 63.517 62.100 -0.169 0.000 1.146 35 T CB -0.391 68.341 68.868 -0.226 0.000 0.865 35 T HN 0.393 nan 8.240 nan 0.000 0.435 36 L N 1.039 122.113 121.223 -0.247 0.000 2.131 36 L HA -0.112 4.231 4.340 0.005 0.000 0.210 36 L C 2.796 179.596 176.870 -0.118 0.000 1.092 36 L CA 1.516 56.160 54.840 -0.326 0.000 0.759 36 L CB -0.583 41.271 42.059 -0.342 0.000 0.903 36 L HN 0.353 nan 8.230 nan 0.000 0.435 37 R N -0.416 120.037 120.500 -0.078 0.000 2.090 37 R HA -0.135 4.209 4.340 0.005 0.000 0.228 37 R C 2.139 178.410 176.300 -0.048 0.000 1.110 37 R CA 0.877 56.953 56.100 -0.040 0.000 0.973 37 R CB -0.352 29.922 30.300 -0.043 0.000 0.869 37 R HN 0.207 nan 8.270 nan 0.000 0.440 38 Q N 1.050 120.818 119.800 -0.053 0.000 2.119 38 Q HA -0.027 4.316 4.340 0.005 0.000 0.201 38 Q C 2.300 178.297 176.000 -0.004 0.000 0.972 38 Q CA 1.367 57.148 55.803 -0.036 0.000 0.847 38 Q CB -0.221 28.524 28.738 0.011 0.000 0.903 38 Q HN 0.440 nan 8.270 nan 0.000 0.433 39 L N 0.479 121.707 121.223 0.009 0.000 2.042 39 L HA -0.210 4.134 4.340 0.005 0.000 0.210 39 L C 2.271 179.213 176.870 0.119 0.000 1.076 39 L CA 1.271 56.170 54.840 0.099 0.000 0.749 39 L CB -0.318 41.806 42.059 0.108 0.000 0.893 39 L HN 0.263 nan 8.230 nan 0.000 0.432 40 E N -0.571 119.688 120.200 0.099 0.000 2.106 40 E HA -0.174 4.179 4.350 0.005 0.000 0.192 40 E C 2.292 178.869 176.600 -0.038 0.000 0.984 40 E CA 0.989 57.434 56.400 0.074 0.000 0.806 40 E CB 0.015 29.766 29.700 0.084 0.000 0.750 40 E HN 0.226 nan 8.360 nan 0.000 0.458 41 V N 0.672 120.511 119.914 -0.125 0.000 2.392 41 V HA -0.252 3.872 4.120 0.005 0.000 0.249 41 V C 1.284 177.134 176.094 -0.406 0.000 1.059 41 V CA 1.964 64.096 62.300 -0.279 0.000 1.051 41 V CB -0.481 31.113 31.823 -0.382 0.000 0.658 41 V HN 0.318 nan 8.190 nan 0.000 0.455 42 H N -0.606 118.311 119.070 -0.254 0.000 2.526 42 H HA 0.369 4.928 4.556 0.005 0.000 0.274 42 H C 1.609 176.889 175.328 -0.079 0.000 0.999 42 H CA 0.537 56.407 56.048 -0.296 0.000 1.157 42 H CB 0.067 29.401 29.762 -0.713 0.000 1.407 42 H HN 0.472 nan 8.280 nan 0.000 0.568 43 G N 0.814 109.635 108.800 0.035 0.000 2.221 43 G HA2 -0.273 3.690 3.960 0.005 0.000 0.265 43 G HA3 -0.273 3.690 3.960 0.005 0.000 0.265 43 G C -0.197 174.770 174.900 0.112 0.000 1.041 43 G CA 0.347 45.482 45.100 0.059 0.000 0.807 43 G HN 0.244 nan 8.290 nan 0.000 0.502 44 V N 0.805 120.820 119.914 0.168 0.000 2.383 44 V HA 0.401 4.524 4.120 0.005 0.000 0.275 44 V C 0.334 176.544 176.094 0.193 0.000 1.036 44 V CA -0.712 61.723 62.300 0.225 0.000 0.889 44 V CB 1.687 33.716 31.823 0.343 0.000 0.985 44 V HN 0.391 nan 8.190 nan 0.000 0.459 45 D N 4.703 125.165 120.400 0.104 0.000 2.312 45 D HA 0.321 4.964 4.640 0.005 0.000 0.252 45 D C -0.646 175.691 176.300 0.062 0.000 1.150 45 D CA 0.134 54.120 54.000 -0.023 0.000 0.870 45 D CB 0.576 41.361 40.800 -0.025 0.000 1.153 45 D HN 0.503 nan 8.370 nan 0.000 0.457 46 Y N 0.910 121.256 120.300 0.076 0.000 2.602 46 Y HA 0.556 5.109 4.550 0.006 0.000 0.342 46 Y C -0.904 175.061 175.900 0.108 0.000 1.029 46 Y CA -1.214 56.939 58.100 0.089 0.000 1.080 46 Y CB 1.240 39.737 38.460 0.061 0.000 1.284 46 Y HN 0.377 nan 8.280 nan 0.000 0.485 47 H N 2.832 122.044 119.070 0.238 0.000 2.744 47 H HA 0.462 5.021 4.556 0.005 0.000 0.339 47 H C -1.872 173.556 175.328 0.167 0.000 1.004 47 H CA -0.760 55.379 56.048 0.152 0.000 1.257 47 H CB 1.504 31.300 29.762 0.058 0.000 1.552 47 H HN 0.865 nan 8.280 nan 0.000 0.522 48 L N 4.195 125.268 121.223 -0.249 0.000 2.305 48 L HA 0.285 4.628 4.340 0.005 0.000 0.281 48 L C 1.347 178.008 176.870 -0.348 0.000 1.085 48 L CA -0.591 54.128 54.840 -0.202 0.000 0.813 48 L CB 1.151 43.129 42.059 -0.135 0.000 1.157 48 L HN 0.725 nan 8.230 nan 0.000 0.436 49 G N 1.827 110.578 108.800 -0.082 0.000 2.414 49 G HA2 -0.019 3.944 3.960 0.005 0.000 0.236 49 G HA3 -0.019 3.944 3.960 0.005 0.000 0.236 49 G C 0.804 175.648 174.900 -0.093 0.000 1.293 49 G CA -0.257 44.840 45.100 -0.005 0.000 0.869 49 G HN 0.825 nan 8.290 nan 0.000 0.556 50 R N 0.256 120.676 120.500 -0.133 0.000 2.159 50 R HA -0.127 4.216 4.340 0.005 0.000 0.237 50 R C 1.109 177.201 176.300 -0.347 0.000 1.131 50 R CA 1.549 57.477 56.100 -0.287 0.000 0.982 50 R CB -0.064 29.982 30.300 -0.423 0.000 0.868 50 R HN 0.819 nan 8.270 nan 0.000 0.453 51 H N -1.464 117.601 119.070 -0.009 0.000 2.528 51 H HA 0.058 4.617 4.556 0.005 0.000 0.282 51 H C 1.464 176.779 175.328 -0.022 0.000 1.097 51 H CA 0.085 56.123 56.048 -0.016 0.000 1.121 51 H CB 0.914 30.665 29.762 -0.018 0.000 1.590 51 H HN 0.067 nan 8.280 nan 0.000 0.553 52 V N -1.423 118.519 119.914 0.047 0.000 2.867 52 V HA -0.141 3.982 4.120 0.005 0.000 0.260 52 V C 1.217 177.315 176.094 0.007 0.000 1.099 52 V CA 1.572 63.880 62.300 0.015 0.000 1.122 52 V CB -0.045 31.762 31.823 -0.026 0.000 0.708 52 V HN 0.392 nan 8.190 nan 0.000 0.490 53 E N 0.955 121.163 120.200 0.013 0.000 2.476 53 E HA 0.472 4.825 4.350 0.005 0.000 0.196 53 E C 1.061 177.679 176.600 0.030 0.000 1.029 53 E CA 0.281 56.686 56.400 0.009 0.000 0.896 53 E CB 0.519 30.216 29.700 -0.005 0.000 1.012 53 E HN 0.751 nan 8.360 nan 0.000 0.475 54 A N 1.635 124.488 122.820 0.055 0.000 2.445 54 A HA 0.326 4.649 4.320 0.005 0.000 0.242 54 A C 0.027 177.638 177.584 0.045 0.000 1.075 54 A CA 0.160 52.231 52.037 0.058 0.000 0.777 54 A CB 0.311 19.348 19.000 0.063 0.000 1.013 54 A HN 0.087 nan 8.150 nan 0.000 0.493 55 R N -0.202 120.330 120.500 0.053 0.000 2.575 55 R HA 0.515 4.858 4.340 0.005 0.000 0.293 55 R C -1.847 174.518 176.300 0.108 0.000 0.983 55 R CA -0.308 55.823 56.100 0.052 0.000 0.887 55 R CB 1.747 32.059 30.300 0.021 0.000 1.184 55 R HN 0.687 nan 8.270 nan 0.000 0.445 56 Y N 4.430 124.687 120.300 -0.073 0.000 2.317 56 Y HA 0.224 4.777 4.550 0.005 0.000 0.329 56 Y C 0.159 175.953 175.900 -0.177 0.000 1.101 56 Y CA -0.720 57.318 58.100 -0.103 0.000 1.228 56 Y CB 0.418 38.821 38.460 -0.094 0.000 1.123 56 Y HN 0.813 nan 8.280 nan 0.000 0.457 57 R N 1.393 121.595 120.500 -0.497 0.000 3.657 57 R HA -0.406 3.937 4.340 0.005 0.000 0.533 57 R C 0.009 176.114 176.300 -0.326 0.000 0.241 57 R CA 2.306 58.098 56.100 -0.514 0.000 1.659 57 R CB -1.657 28.144 30.300 -0.833 0.000 0.920 57 R HN 0.677 nan 8.270 nan 0.000 0.599 58 Y N 0.616 120.915 120.300 -0.002 0.000 2.583 58 Y HA 0.462 5.015 4.550 0.005 0.000 0.293 58 Y C 1.130 177.055 175.900 0.042 0.000 1.157 58 Y CA -0.336 57.781 58.100 0.027 0.000 1.315 58 Y CB -0.265 38.224 38.460 0.047 0.000 1.021 58 Y HN 0.182 nan 8.280 nan 0.000 0.536 59 L N 1.052 122.367 121.223 0.154 0.000 2.418 59 L HA 0.476 4.820 4.340 0.005 0.000 0.265 59 L C 0.834 177.751 176.870 0.078 0.000 1.143 59 L CA -0.747 54.175 54.840 0.138 0.000 0.809 59 L CB 0.808 42.938 42.059 0.119 0.000 1.124 59 L HN 0.165 nan 8.230 nan 0.000 0.456 60 A N 2.655 125.500 122.820 0.042 0.000 3.048 60 A HA 0.525 4.849 4.320 0.005 0.000 0.264 60 A C 0.840 178.431 177.584 0.012 0.000 1.796 60 A CA 0.478 52.530 52.037 0.025 0.000 1.445 60 A CB -1.465 17.538 19.000 0.006 0.000 1.074 60 A HN 1.005 nan 8.150 nan 0.000 0.621 61 G N 0.270 109.092 108.800 0.035 0.000 2.757 61 G HA2 0.103 4.066 3.960 0.005 0.000 0.638 61 G HA3 0.103 4.066 3.960 0.005 0.000 0.638 61 G C 0.110 174.957 174.900 -0.088 0.000 1.344 61 G CA -0.238 44.849 45.100 -0.021 0.000 0.855 61 G HN 1.792 nan 8.290 nan 0.000 0.537 62 T N -2.031 112.364 114.554 -0.266 0.000 2.813 62 T HA 0.466 4.820 4.350 0.005 0.000 0.297 62 T C 1.838 176.402 174.700 -0.227 0.000 1.036 62 T CA 0.378 62.261 62.100 -0.362 0.000 1.044 62 T CB 1.352 69.945 68.868 -0.459 0.000 0.993 62 T HN 1.472 nan 8.240 nan 0.000 0.535 63 V N 1.032 120.832 119.914 -0.190 0.000 2.324 63 V HA -0.198 3.926 4.120 0.005 0.000 0.250 63 V C 2.829 178.829 176.094 -0.156 0.000 1.060 63 V CA 2.483 64.695 62.300 -0.145 0.000 1.042 63 V CB -1.078 30.680 31.823 -0.109 0.000 0.650 63 V HN 1.078 nan 8.190 nan 0.000 0.450 64 E N -0.371 119.726 120.200 -0.170 0.000 2.077 64 E HA -0.274 4.079 4.350 0.005 0.000 0.193 64 E C 2.287 178.778 176.600 -0.182 0.000 0.989 64 E CA 1.504 57.816 56.400 -0.148 0.000 0.800 64 E CB -0.093 29.526 29.700 -0.135 0.000 0.746 64 E HN 0.702 nan 8.360 nan 0.000 0.452 65 Q N -0.063 119.559 119.800 -0.297 0.000 2.084 65 Q HA -0.151 4.192 4.340 0.005 0.000 0.202 65 Q C 2.352 178.229 176.000 -0.206 0.000 0.978 65 Q CA 1.446 56.946 55.803 -0.505 0.000 0.844 65 Q CB -0.066 28.237 28.738 -0.725 0.000 0.898 65 Q HN 0.195 nan 8.270 nan 0.000 0.426 66 R N 0.166 120.575 120.500 -0.153 0.000 2.092 66 R HA -0.043 4.300 4.340 0.005 0.000 0.231 66 R C 2.279 178.514 176.300 -0.108 0.000 1.119 66 R CA 0.786 56.834 56.100 -0.087 0.000 0.970 66 R CB -0.164 30.076 30.300 -0.100 0.000 0.864 66 R HN 0.234 nan 8.270 nan 0.000 0.440 67 L N 0.524 121.652 121.223 -0.160 0.000 2.093 67 L HA -0.174 4.169 4.340 0.005 0.000 0.208 67 L C 2.569 179.320 176.870 -0.198 0.000 1.085 67 L CA 1.269 55.943 54.840 -0.276 0.000 0.755 67 L CB -0.346 41.562 42.059 -0.252 0.000 0.904 67 L HN 0.296 nan 8.230 nan 0.000 0.435 68 E N 0.292 120.481 120.200 -0.018 0.000 2.051 68 E HA -0.260 4.093 4.350 0.005 0.000 0.192 68 E C 1.562 178.236 176.600 0.122 0.000 0.991 68 E CA 1.700 58.164 56.400 0.106 0.000 0.799 68 E CB 0.132 29.936 29.700 0.174 0.000 0.748 68 E HN 0.416 nan 8.360 nan 0.000 0.449 69 D N 0.326 120.802 120.400 0.127 0.000 2.144 69 D HA -0.142 4.502 4.640 0.005 0.000 0.200 69 D C 1.884 178.244 176.300 0.100 0.000 0.978 69 D CA 0.560 54.634 54.000 0.123 0.000 0.833 69 D CB -0.193 40.678 40.800 0.119 0.000 0.961 69 D HN 0.184 nan 8.370 nan 0.000 0.470 70 L N 0.166 121.404 121.223 0.025 0.000 2.027 70 L HA -0.097 4.246 4.340 0.005 0.000 0.206 70 L C 1.895 178.869 176.870 0.174 0.000 1.074 70 L CA 1.905 56.778 54.840 0.056 0.000 0.745 70 L CB -0.754 41.243 42.059 -0.103 0.000 0.898 70 L HN 0.123 nan 8.230 nan 0.000 0.433 71 H N -0.810 118.312 119.070 0.086 0.000 2.352 71 H HA -0.173 4.386 4.556 0.005 0.000 0.299 71 H C 2.096 177.504 175.328 0.134 0.000 1.097 71 H CA 1.423 57.517 56.048 0.076 0.000 1.311 71 H CB -0.078 29.682 29.762 -0.002 0.000 1.377 71 H HN 0.502 nan 8.280 nan 0.000 0.504 72 N N 1.032 119.865 118.700 0.221 0.000 2.223 72 N HA -0.145 4.598 4.740 0.005 0.000 0.185 72 N C 1.983 177.541 175.510 0.081 0.000 1.016 72 N CA 0.926 54.053 53.050 0.128 0.000 0.863 72 N CB -0.031 38.519 38.487 0.105 0.000 0.983 72 N HN 0.352 nan 8.380 nan 0.000 0.429 73 A N -0.166 122.726 122.820 0.119 0.000 2.019 73 A HA -0.064 4.259 4.320 0.005 0.000 0.219 73 A C 1.577 179.039 177.584 -0.203 0.000 1.164 73 A CA 0.865 52.892 52.037 -0.016 0.000 0.644 73 A CB -0.646 18.370 19.000 0.027 0.000 0.805 73 A HN 0.385 nan 8.150 nan 0.000 0.449 74 F N -0.483 119.498 119.950 0.052 0.000 2.698 74 F HA 0.058 4.588 4.527 0.005 0.000 0.295 74 F C 1.605 177.415 175.800 0.016 0.000 1.124 74 F CA 0.461 58.488 58.000 0.044 0.000 1.426 74 F CB 0.242 39.277 39.000 0.059 0.000 1.120 74 F HN 0.133 nan 8.300 nan 0.000 0.583 75 D N 0.111 120.587 120.400 0.126 0.000 2.234 75 D HA -0.009 4.634 4.640 0.005 0.000 0.205 75 D C 0.896 177.192 176.300 -0.006 0.000 0.962 75 D CA 0.826 54.857 54.000 0.051 0.000 0.855 75 D CB -0.058 40.765 40.800 0.040 0.000 0.951 75 D HN 0.190 nan 8.370 nan 0.000 0.500 76 M N 1.559 121.126 119.600 -0.054 0.000 2.184 76 M HA 0.099 4.582 4.480 0.005 0.000 0.351 76 M C -1.516 174.738 176.300 -0.077 0.000 1.395 76 M CA -1.450 53.793 55.300 -0.095 0.000 1.117 76 M CB 1.318 33.807 32.600 -0.185 0.000 1.708 76 M HN -0.245 nan 8.290 nan 0.000 0.468 77 P HA -0.142 nan 4.420 nan 0.000 0.220 77 P C 0.353 177.628 177.300 -0.042 0.000 1.148 77 P CA 1.152 64.230 63.100 -0.037 0.000 0.803 77 P CB -0.073 31.613 31.700 -0.023 0.000 0.782 78 D N -1.589 118.779 120.400 -0.052 0.000 2.328 78 D HA -0.011 4.632 4.640 0.005 0.000 0.221 78 D C 0.391 176.665 176.300 -0.044 0.000 1.072 78 D CA -0.066 53.910 54.000 -0.040 0.000 0.850 78 D CB -0.415 40.365 40.800 -0.033 0.000 0.922 78 D HN 0.064 nan 8.370 nan 0.000 0.516 79 I N 2.164 122.691 120.570 -0.072 0.000 2.416 79 I HA 0.072 4.245 4.170 0.005 0.000 0.288 79 I C 1.447 177.521 176.117 -0.071 0.000 1.051 79 I CA 0.190 61.443 61.300 -0.077 0.000 1.375 79 I CB 1.194 39.110 38.000 -0.139 0.000 1.407 79 I HN 0.021 nan 8.210 nan 0.000 0.516 80 T N 1.841 116.373 114.554 -0.037 0.000 3.010 80 T HA 0.568 4.921 4.350 0.005 0.000 0.257 80 T C 0.398 175.078 174.700 -0.033 0.000 1.020 80 T CA -0.083 62.000 62.100 -0.028 0.000 0.938 80 T CB 0.531 69.397 68.868 -0.004 0.000 1.049 80 T HN 0.659 nan 8.240 nan 0.000 0.522 81 A N 0.439 123.240 122.820 -0.032 0.000 2.604 81 A HA 0.687 5.011 4.320 0.005 0.000 0.295 81 A C -1.548 176.027 177.584 -0.015 0.000 1.067 81 A CA -0.730 51.285 52.037 -0.036 0.000 0.683 81 A CB 1.721 20.693 19.000 -0.046 0.000 1.281 81 A HN 0.260 nan 8.150 nan 0.000 0.407 82 V N 1.737 121.643 119.914 -0.015 0.000 2.325 82 V HA 0.367 4.490 4.120 0.005 0.000 0.280 82 V C -1.200 174.956 176.094 0.103 0.000 1.016 82 V CA -0.358 61.961 62.300 0.031 0.000 0.818 82 V CB 1.070 32.892 31.823 -0.002 0.000 1.019 82 V HN 0.794 nan 8.190 nan 0.000 0.434 83 W N 5.984 127.259 121.300 -0.043 0.000 2.291 83 W HA 0.504 5.167 4.660 0.005 0.000 0.312 83 W C -0.040 176.445 176.519 -0.058 0.000 1.061 83 W CA -1.561 55.749 57.345 -0.057 0.000 1.296 83 W CB 1.208 30.645 29.460 -0.038 0.000 1.223 83 W HN 0.494 nan 8.180 nan 0.000 0.421 84 C N 6.674 126.139 119.300 0.276 0.000 2.637 84 C HA 0.067 4.530 4.460 0.005 0.000 0.418 84 C C 2.173 177.166 174.990 0.005 0.000 1.319 84 C CA -0.261 58.808 59.018 0.085 0.000 1.949 84 C CB -0.218 27.533 27.740 0.018 0.000 2.639 84 C HN 0.725 nan 8.230 nan 0.000 0.594 85 L N 1.685 122.866 121.223 -0.070 0.000 2.109 85 L HA 0.065 4.408 4.340 0.005 0.000 0.207 85 L C 1.376 178.182 176.870 -0.106 0.000 1.086 85 L CA 1.361 56.117 54.840 -0.142 0.000 0.760 85 L CB -0.226 41.758 42.059 -0.125 0.000 0.910 85 L HN 0.693 nan 8.230 nan 0.000 0.437 86 R N -1.774 118.683 120.500 -0.073 0.000 2.643 86 R HA 0.396 4.739 4.340 0.005 0.000 0.269 86 R C -0.193 176.055 176.300 -0.087 0.000 1.037 86 R CA -0.029 56.029 56.100 -0.069 0.000 0.894 86 R CB 1.473 31.740 30.300 -0.055 0.000 1.238 86 R HN -0.022 nan 8.270 nan 0.000 0.459 87 G N 0.465 109.187 108.800 -0.129 0.000 3.348 87 G HA2 0.495 4.458 3.960 0.005 0.000 0.180 87 G HA3 0.495 4.458 3.960 0.005 0.000 0.180 87 G C 0.632 175.477 174.900 -0.091 0.000 1.915 87 G CA 0.412 45.420 45.100 -0.154 0.000 0.937 87 G HN 1.056 nan 8.290 nan 0.000 0.564 88 G N -0.953 107.799 108.800 -0.079 0.000 3.675 88 G HA2 -0.061 3.902 3.960 0.005 0.000 0.275 88 G HA3 -0.061 3.902 3.960 0.005 0.000 0.275 88 G C -0.097 174.840 174.900 0.062 0.000 1.648 88 G CA 1.002 46.094 45.100 -0.014 0.000 1.093 88 G HN 1.783 nan 8.290 nan 0.000 0.617 89 Y N 0.794 121.058 120.300 -0.060 0.000 2.482 89 Y HA 0.552 5.105 4.550 0.005 0.000 0.334 89 Y C 0.591 176.498 175.900 0.011 0.000 1.091 89 Y CA 0.756 58.830 58.100 -0.044 0.000 1.027 89 Y CB 1.370 39.774 38.460 -0.093 0.000 1.306 89 Y HN 2.052 nan 8.280 nan 0.000 0.446 90 G N 1.581 109.828 108.800 -0.922 0.000 2.672 90 G HA2 -0.249 3.714 3.960 0.005 0.000 0.197 90 G HA3 -0.249 3.714 3.960 0.005 0.000 0.197 90 G C 1.062 175.722 174.900 -0.400 0.000 0.995 90 G CA 0.225 44.787 45.100 -0.898 0.000 0.754 90 G HN 1.438 nan 8.290 nan 0.000 0.505 91 C N 1.412 120.566 119.300 -0.244 0.000 2.448 91 C HA 0.443 4.906 4.460 0.005 0.000 0.280 91 C C 2.893 177.829 174.990 -0.091 0.000 1.398 91 C CA 1.448 60.381 59.018 -0.142 0.000 1.774 91 C CB -1.213 26.461 27.740 -0.109 0.000 1.888 91 C HN 0.855 nan 8.230 nan 0.000 0.519 92 G N 0.241 109.003 108.800 -0.064 0.000 2.448 92 G HA2 -0.158 3.805 3.960 0.005 0.000 0.219 92 G HA3 -0.158 3.805 3.960 0.005 0.000 0.219 92 G C 1.712 176.613 174.900 0.001 0.000 1.127 92 G CA 0.708 45.814 45.100 0.009 0.000 0.766 92 G HN 0.768 nan 8.290 nan 0.000 0.552 93 Q N -0.332 119.437 119.800 -0.051 0.000 2.291 93 Q HA 0.052 4.395 4.340 0.005 0.000 0.206 93 Q C 2.296 178.270 176.000 -0.045 0.000 0.976 93 Q CA 0.554 56.337 55.803 -0.035 0.000 0.875 93 Q CB -0.184 28.513 28.738 -0.068 0.000 0.927 93 Q HN 0.489 nan 8.270 nan 0.000 0.450 94 L N -0.079 121.103 121.223 -0.069 0.000 2.492 94 L HA -0.051 4.292 4.340 0.005 0.000 0.223 94 L C 1.957 178.774 176.870 -0.088 0.000 1.132 94 L CA 0.205 54.985 54.840 -0.101 0.000 0.850 94 L CB -0.268 41.706 42.059 -0.141 0.000 0.966 94 L HN 0.247 nan 8.230 nan 0.000 0.454 95 L N 0.363 121.578 121.223 -0.014 0.000 2.046 95 L HA -0.137 4.206 4.340 0.005 0.000 0.208 95 L C 0.032 176.933 176.870 0.052 0.000 1.077 95 L CA 1.406 56.277 54.840 0.052 0.000 0.747 95 L CB -1.815 40.333 42.059 0.149 0.000 0.896 95 L HN 0.232 nan 8.230 nan 0.000 0.432 96 P HA -0.148 nan 4.420 nan 0.000 0.218 96 P C 1.254 178.561 177.300 0.012 0.000 1.148 96 P CA 1.646 64.772 63.100 0.044 0.000 0.822 96 P CB -0.093 31.627 31.700 0.034 0.000 0.784 97 G N -1.832 106.948 108.800 -0.033 0.000 3.126 97 G HA2 0.103 4.066 3.960 0.005 0.000 0.224 97 G HA3 0.103 4.066 3.960 0.005 0.000 0.224 97 G C 0.132 174.989 174.900 -0.072 0.000 1.142 97 G CA -0.089 44.987 45.100 -0.039 0.000 0.759 97 G HN 0.145 nan 8.290 nan 0.000 0.550 98 L N 1.643 122.745 121.223 -0.201 0.000 2.462 98 L HA 0.298 4.641 4.340 0.005 0.000 0.272 98 L C -0.550 176.070 176.870 -0.418 0.000 1.166 98 L CA -0.714 53.885 54.840 -0.402 0.000 0.880 98 L CB 1.052 42.611 42.059 -0.834 0.000 1.142 98 L HN -0.085 nan 8.230 nan 0.000 0.473 99 D N 4.020 124.334 120.400 -0.143 0.000 2.468 99 D HA 0.020 4.663 4.640 0.005 0.000 0.218 99 D C 0.566 176.666 176.300 -0.333 0.000 1.155 99 D CA -0.091 53.762 54.000 -0.246 0.000 0.924 99 D CB 0.139 40.725 40.800 -0.356 0.000 1.029 99 D HN 0.554 nan 8.370 nan 0.000 0.515 100 W N 2.550 123.738 121.300 -0.187 0.000 2.363 100 W HA -0.023 4.640 4.660 0.005 0.000 0.296 100 W C 2.433 178.831 176.519 -0.202 0.000 1.212 100 W CA 0.666 57.836 57.345 -0.291 0.000 1.260 100 W CB -0.142 29.106 29.460 -0.353 0.000 1.131 100 W HN 0.517 nan 8.180 nan 0.000 0.530 101 G N 0.377 109.220 108.800 0.071 0.000 2.440 101 G HA2 -0.315 3.648 3.960 0.005 0.000 0.218 101 G HA3 -0.315 3.648 3.960 0.005 0.000 0.218 101 G C 1.481 176.367 174.900 -0.022 0.000 1.154 101 G CA 1.222 46.336 45.100 0.024 0.000 0.767 101 G HN 0.228 nan 8.290 nan 0.000 0.552 102 R N -0.667 119.785 120.500 -0.081 0.000 2.075 102 R HA 0.024 4.367 4.340 0.005 0.000 0.232 102 R C 2.441 178.710 176.300 -0.051 0.000 1.126 102 R CA 0.889 56.938 56.100 -0.085 0.000 0.963 102 R CB -0.293 29.896 30.300 -0.184 0.000 0.858 102 R HN 0.301 nan 8.270 nan 0.000 0.435 103 L N 1.235 122.353 121.223 -0.175 0.000 2.046 103 L HA -0.118 4.225 4.340 0.005 0.000 0.208 103 L C 2.046 178.884 176.870 -0.054 0.000 1.077 103 L CA 1.808 56.451 54.840 -0.327 0.000 0.747 103 L CB -0.563 41.048 42.059 -0.748 0.000 0.896 103 L HN 0.223 nan 8.230 nan 0.000 0.432 104 E N -0.868 119.316 120.200 -0.026 0.000 2.150 104 E HA -0.142 4.211 4.350 0.005 0.000 0.193 104 E C 2.200 178.835 176.600 0.058 0.000 0.985 104 E CA 0.882 57.301 56.400 0.032 0.000 0.814 104 E CB -0.204 29.519 29.700 0.038 0.000 0.752 104 E HN 0.490 nan 8.360 nan 0.000 0.466 105 A N 1.550 124.401 122.820 0.051 0.000 2.067 105 A HA 0.079 4.402 4.320 0.005 0.000 0.219 105 A C 1.416 179.046 177.584 0.077 0.000 1.158 105 A CA 0.873 52.941 52.037 0.052 0.000 0.661 105 A CB -0.239 18.781 19.000 0.033 0.000 0.801 105 A HN 0.237 nan 8.150 nan 0.000 0.452 106 A N 0.448 123.346 122.820 0.130 0.000 2.332 106 A HA 0.522 4.846 4.320 0.005 0.000 0.258 106 A C 0.890 178.546 177.584 0.120 0.000 1.087 106 A CA 0.196 52.319 52.037 0.144 0.000 0.802 106 A CB -0.051 19.104 19.000 0.259 0.000 1.042 106 A HN 0.986 nan 8.150 nan 0.000 0.489 107 S N 1.336 117.080 115.700 0.074 0.000 2.576 107 S HA 0.353 4.826 4.470 0.005 0.000 0.272 107 S C -2.606 172.037 174.600 0.071 0.000 1.352 107 S CA -0.857 57.377 58.200 0.057 0.000 1.021 107 S CB -0.341 62.877 63.200 0.029 0.000 0.887 107 S HN 0.487 nan 8.310 nan 0.000 0.542 108 P HA 0.167 nan 4.420 nan 0.000 0.264 108 P C -0.576 176.757 177.300 0.055 0.000 1.193 108 P CA 0.043 63.195 63.100 0.087 0.000 0.763 108 P CB 0.116 31.858 31.700 0.071 0.000 0.810 109 R N 2.241 122.788 120.500 0.078 0.000 2.921 109 R HA 0.393 4.736 4.340 0.005 0.000 0.269 109 R C -3.234 173.111 176.300 0.076 0.000 1.696 109 R CA -1.978 54.125 56.100 0.006 0.000 1.161 109 R CB 0.380 30.592 30.300 -0.148 0.000 1.337 109 R HN 0.163 nan 8.270 nan 0.000 0.496 110 P HA -0.078 nan 4.420 nan 0.000 0.264 110 P C -0.526 176.779 177.300 0.009 0.000 1.183 110 P CA -0.308 62.824 63.100 0.053 0.000 0.763 110 P CB 0.536 32.214 31.700 -0.037 0.000 0.807 111 L N 5.288 126.514 121.223 0.005 0.000 2.305 111 L HA 0.402 4.745 4.340 0.005 0.000 0.281 111 L C -0.650 176.089 176.870 -0.219 0.000 1.085 111 L CA 0.137 54.885 54.840 -0.153 0.000 0.813 111 L CB 0.030 41.779 42.059 -0.517 0.000 1.157 111 L HN 0.233 nan 8.230 nan 0.000 0.436 112 I N 5.057 125.505 120.570 -0.203 0.000 2.465 112 I HA 0.877 5.050 4.170 0.005 0.000 0.291 112 I C 0.421 176.466 176.117 -0.119 0.000 1.014 112 I CA -0.211 60.927 61.300 -0.270 0.000 1.093 112 I CB 1.745 39.409 38.000 -0.559 0.000 1.267 112 I HN 0.765 nan 8.210 nan 0.000 0.431 113 G N 4.543 113.242 108.800 -0.168 0.000 2.317 113 G HA2 0.486 4.449 3.960 0.005 0.000 0.293 113 G HA3 0.486 4.449 3.960 0.005 0.000 0.293 113 G C -1.607 173.185 174.900 -0.180 0.000 1.287 113 G CA -0.585 44.479 45.100 -0.060 0.000 0.850 113 G HN 0.694 nan 8.290 nan 0.000 0.515 114 F N -2.242 117.466 119.950 -0.403 0.000 3.016 114 F HA 0.834 5.364 4.527 0.004 0.000 0.324 114 F C 0.733 176.381 175.800 -0.254 0.000 1.196 114 F CA 0.105 57.766 58.000 -0.565 0.000 0.929 114 F CB 0.920 39.367 39.000 -0.922 0.000 1.440 114 F HN 2.437 nan 8.300 nan 0.000 0.505 115 A N 1.134 123.608 122.820 -0.577 0.000 5.369 115 A HA -0.413 3.910 4.320 0.005 0.000 0.298 115 A C 1.209 178.693 177.584 -0.166 0.000 2.000 115 A CA 1.763 53.543 52.037 -0.428 0.000 0.716 115 A CB -2.558 15.960 19.000 -0.804 0.000 1.248 115 A HN 1.319 nan 8.150 nan 0.000 0.365 116 D N -1.079 119.235 120.400 -0.144 0.000 2.221 116 D HA -0.117 4.526 4.640 0.005 0.000 0.204 116 D C 1.580 177.833 176.300 -0.078 0.000 0.982 116 D CA 1.791 55.757 54.000 -0.057 0.000 0.857 116 D CB -0.146 40.630 40.800 -0.039 0.000 0.934 116 D HN 0.455 nan 8.370 nan 0.000 0.475 117 I N 0.577 121.063 120.570 -0.140 0.000 2.567 117 I HA -0.175 3.998 4.170 0.005 0.000 0.257 117 I C 2.166 178.198 176.117 -0.141 0.000 1.184 117 I CA 0.693 61.905 61.300 -0.147 0.000 1.451 117 I CB -1.283 36.614 38.000 -0.171 0.000 1.089 117 I HN 0.031 nan 8.210 nan 0.000 0.441 118 S N 1.067 116.717 115.700 -0.084 0.000 2.400 118 S HA -0.180 4.293 4.470 0.005 0.000 0.234 118 S C 2.282 176.866 174.600 -0.027 0.000 1.049 118 S CA 1.450 59.642 58.200 -0.014 0.000 1.039 118 S CB -0.558 62.732 63.200 0.150 0.000 0.856 118 S HN 0.330 nan 8.310 nan 0.000 0.465 119 V N 1.716 121.635 119.914 0.009 0.000 2.287 119 V HA -0.178 3.945 4.120 0.005 0.000 0.248 119 V C 2.172 178.292 176.094 0.044 0.000 1.053 119 V CA 1.660 63.990 62.300 0.050 0.000 1.027 119 V CB -0.653 31.204 31.823 0.057 0.000 0.646 119 V HN 0.431 nan 8.190 nan 0.000 0.447 120 L N -0.897 120.313 121.223 -0.021 0.000 2.109 120 L HA -0.121 4.222 4.340 0.005 0.000 0.207 120 L C 2.369 179.191 176.870 -0.079 0.000 1.086 120 L CA 1.149 55.984 54.840 -0.009 0.000 0.760 120 L CB -0.413 41.560 42.059 -0.143 0.000 0.910 120 L HN 0.315 nan 8.230 nan 0.000 0.437 121 L N -1.028 120.021 121.223 -0.290 0.000 2.012 121 L HA -0.264 4.079 4.340 0.005 0.000 0.210 121 L C 2.840 179.453 176.870 -0.430 0.000 1.073 121 L CA 1.618 56.119 54.840 -0.565 0.000 0.748 121 L CB -0.832 40.583 42.059 -1.073 0.000 0.891 121 L HN 0.280 nan 8.230 nan 0.000 0.431 122 S N -0.049 115.517 115.700 -0.223 0.000 2.359 122 S HA -0.209 4.264 4.470 0.005 0.000 0.224 122 S C 2.140 176.905 174.600 0.276 0.000 1.035 122 S CA 1.357 59.692 58.200 0.225 0.000 1.018 122 S CB -0.163 63.199 63.200 0.269 0.000 0.876 122 S HN 0.425 nan 8.310 nan 0.000 0.448 123 A N 0.252 123.227 122.820 0.259 0.000 1.933 123 A HA 0.074 4.397 4.320 0.005 0.000 0.218 123 A C 1.899 179.672 177.584 0.316 0.000 1.175 123 A CA 1.370 53.581 52.037 0.290 0.000 0.628 123 A CB -0.978 18.299 19.000 0.462 0.000 0.814 123 A HN 0.585 nan 8.150 nan 0.000 0.444 124 F N -0.494 119.570 119.950 0.190 0.000 2.102 124 F HA -0.141 4.389 4.527 0.006 0.000 0.298 124 F C 2.283 178.194 175.800 0.184 0.000 1.105 124 F CA 1.437 59.562 58.000 0.209 0.000 1.239 124 F CB -0.972 38.136 39.000 0.180 0.000 0.991 124 F HN 0.537 nan 8.300 nan 0.000 0.474 125 H N 0.008 119.260 119.070 0.303 0.000 2.319 125 H HA -0.220 4.339 4.556 0.005 0.000 0.299 125 H C 2.629 177.959 175.328 0.003 0.000 1.092 125 H CA 1.657 57.867 56.048 0.269 0.000 1.302 125 H CB -0.089 29.991 29.762 0.530 0.000 1.373 125 H HN 0.135 nan 8.280 nan 0.000 0.497 126 R N -0.243 120.051 120.500 -0.342 0.000 2.127 126 R HA -0.164 4.179 4.340 0.005 0.000 0.238 126 R C 0.936 176.752 176.300 -0.808 0.000 1.134 126 R CA 1.969 57.496 56.100 -0.954 0.000 0.975 126 R CB -0.119 29.667 30.300 -0.858 0.000 0.865 126 R HN 0.501 nan 8.270 nan 0.000 0.447 127 H N -1.648 117.123 119.070 -0.499 0.000 2.519 127 H HA 0.274 4.833 4.556 0.005 0.000 0.289 127 H C 0.628 175.818 175.328 -0.229 0.000 1.040 127 H CA 0.536 56.298 56.048 -0.475 0.000 1.165 127 H CB 1.068 30.357 29.762 -0.788 0.000 1.462 127 H HN 0.479 nan 8.280 nan 0.000 0.555 128 G N 0.908 109.676 108.800 -0.053 0.000 2.198 128 G HA2 -0.290 3.673 3.960 0.005 0.000 0.260 128 G HA3 -0.290 3.673 3.960 0.005 0.000 0.260 128 G C -0.196 174.762 174.900 0.095 0.000 1.025 128 G CA 0.098 45.225 45.100 0.046 0.000 0.769 128 G HN 0.320 nan 8.290 nan 0.000 0.507 129 L N 1.180 122.481 121.223 0.129 0.000 2.317 129 L HA 0.521 4.865 4.340 0.005 0.000 0.281 129 L C -1.510 175.552 176.870 0.321 0.000 1.024 129 L CA -2.460 52.487 54.840 0.179 0.000 0.810 129 L CB 1.829 43.893 42.059 0.008 0.000 1.240 129 L HN -0.058 nan 8.230 nan 0.000 0.427 130 P HA 0.325 nan 4.420 nan 0.000 0.272 130 P C -1.128 176.322 177.300 0.250 0.000 1.223 130 P CA -0.199 63.035 63.100 0.224 0.000 0.784 130 P CB 1.533 33.321 31.700 0.146 0.000 0.923 131 A N 2.281 125.186 122.820 0.141 0.000 2.612 131 A HA 0.758 5.081 4.320 0.005 0.000 0.293 131 A C -1.432 176.128 177.584 -0.040 0.000 1.075 131 A CA -0.614 51.443 52.037 0.033 0.000 0.680 131 A CB 1.122 20.134 19.000 0.021 0.000 1.279 131 A HN 0.428 nan 8.150 nan 0.000 0.411 132 I N 1.681 122.152 120.570 -0.166 0.000 2.534 132 I HA 0.263 4.436 4.170 0.005 0.000 0.288 132 I C -0.762 175.136 176.117 -0.365 0.000 1.077 132 I CA -0.473 60.667 61.300 -0.266 0.000 1.051 132 I CB 2.052 39.859 38.000 -0.322 0.000 1.234 132 I HN 0.826 nan 8.210 nan 0.000 0.425 133 H N 5.888 124.549 119.070 -0.682 0.000 2.846 133 H HA 0.635 5.193 4.556 0.005 0.000 0.278 133 H C -0.410 174.453 175.328 -0.777 0.000 1.117 133 H CA 0.217 55.749 56.048 -0.861 0.000 1.406 133 H CB 0.772 29.498 29.762 -1.726 0.000 1.445 133 H HN 0.859 nan 8.280 nan 0.000 0.469 134 G N 4.714 113.163 108.800 -0.585 0.000 2.554 134 G HA2 0.200 4.163 3.960 0.005 0.000 0.306 134 G HA3 0.200 4.163 3.960 0.005 0.000 0.306 134 G C -3.176 171.495 174.900 -0.381 0.000 1.320 134 G CA -1.220 43.603 45.100 -0.460 0.000 0.800 134 G HN 0.323 nan 8.290 nan 0.000 0.481 135 P HA 0.242 nan 4.420 nan 0.000 0.264 135 P C 0.670 178.152 177.300 0.304 0.000 1.179 135 P CA -0.119 62.925 63.100 -0.093 0.000 0.763 135 P CB 0.658 32.352 31.700 -0.010 0.000 0.806 136 V N 0.460 120.585 119.914 0.350 0.000 3.003 136 V HA 0.370 4.493 4.120 0.005 0.000 0.305 136 V C 1.496 177.581 176.094 -0.015 0.000 1.078 136 V CA 0.354 62.802 62.300 0.247 0.000 1.083 136 V CB 0.004 31.888 31.823 0.103 0.000 1.039 136 V HN 0.618 nan 8.190 nan 0.000 0.481 137 A N 2.074 124.594 122.820 -0.500 0.000 1.972 137 A HA -0.097 4.226 4.320 0.005 0.000 0.219 137 A C 2.188 179.476 177.584 -0.494 0.000 1.169 137 A CA 2.228 53.634 52.037 -1.051 0.000 0.635 137 A CB -1.298 16.897 19.000 -1.342 0.000 0.810 137 A HN 1.454 nan 8.150 nan 0.000 0.446 138 T N -2.690 111.696 114.554 -0.280 0.000 3.025 138 T HA 0.047 4.400 4.350 0.005 0.000 0.270 138 T C 1.689 176.333 174.700 -0.092 0.000 1.126 138 T CA 1.229 63.228 62.100 -0.167 0.000 1.105 138 T CB -0.650 68.151 68.868 -0.112 0.000 0.884 138 T HN 0.416 nan 8.240 nan 0.000 0.522 139 G N 1.601 110.366 108.800 -0.058 0.000 2.479 139 G HA2 -0.051 3.912 3.960 0.005 0.000 0.220 139 G HA3 -0.051 3.912 3.960 0.005 0.000 0.220 139 G C 1.382 176.284 174.900 0.003 0.000 1.115 139 G CA 0.566 45.668 45.100 0.003 0.000 0.757 139 G HN 0.566 nan 8.290 nan 0.000 0.560 140 L N 0.334 121.536 121.223 -0.036 0.000 2.217 140 L HA 0.102 4.445 4.340 0.005 0.000 0.211 140 L C 2.743 179.607 176.870 -0.010 0.000 1.107 140 L CA 0.882 55.728 54.840 0.009 0.000 0.783 140 L CB -0.153 41.890 42.059 -0.027 0.000 0.919 140 L HN 0.289 nan 8.230 nan 0.000 0.442 141 G N -0.693 108.077 108.800 -0.049 0.000 3.189 141 G HA2 0.267 4.230 3.960 0.005 0.000 0.225 141 G HA3 0.267 4.230 3.960 0.005 0.000 0.225 141 G C 0.675 175.559 174.900 -0.026 0.000 1.159 141 G CA -0.335 44.736 45.100 -0.049 0.000 0.763 141 G HN 0.029 nan 8.290 nan 0.000 0.549 153 E N 1.726 121.943 120.200 0.028 0.000 2.085 153 E HA -0.165 4.188 4.350 0.005 0.000 0.194 153 E C 1.939 178.550 176.600 0.019 0.000 0.994 153 E CA 1.512 57.924 56.400 0.020 0.000 0.801 153 E CB -0.006 29.702 29.700 0.014 0.000 0.743 153 E HN 0.153 nan 8.360 nan 0.000 0.453 154 R N 0.943 121.458 120.500 0.026 0.000 2.081 154 R HA -0.155 4.188 4.340 0.005 0.000 0.235 154 R C 2.253 178.581 176.300 0.046 0.000 1.131 154 R CA 1.169 57.285 56.100 0.027 0.000 0.960 154 R CB -0.238 30.083 30.300 0.035 0.000 0.856 154 R HN 0.165 nan 8.270 nan 0.000 0.436 155 L N 0.426 121.691 121.223 0.070 0.000 2.093 155 L HA -0.090 4.253 4.340 0.005 0.000 0.208 155 L C 2.785 179.713 176.870 0.097 0.000 1.085 155 L CA 1.191 56.101 54.840 0.116 0.000 0.755 155 L CB -0.549 41.589 42.059 0.131 0.000 0.904 155 L HN 0.344 nan 8.230 nan 0.000 0.435 156 A N -0.517 122.335 122.820 0.054 0.000 1.902 156 A HA -0.191 4.132 4.320 0.005 0.000 0.217 156 A C 2.517 180.084 177.584 -0.029 0.000 1.181 156 A CA 2.071 54.120 52.037 0.020 0.000 0.623 156 A CB -0.582 18.429 19.000 0.018 0.000 0.818 156 A HN 0.372 nan 8.150 nan 0.000 0.443 157 S N -0.052 115.631 115.700 -0.027 0.000 2.368 157 S HA -0.114 4.359 4.470 0.005 0.000 0.225 157 S C 1.822 176.361 174.600 -0.102 0.000 1.030 157 S CA 1.569 59.728 58.200 -0.068 0.000 0.999 157 S CB -0.470 62.687 63.200 -0.071 0.000 0.844 157 S HN 0.508 nan 8.310 nan 0.000 0.459 158 L N 1.121 122.315 121.223 -0.048 0.000 2.056 158 L HA -0.071 4.272 4.340 0.005 0.000 0.207 158 L C 2.732 179.384 176.870 -0.363 0.000 1.078 158 L CA 1.132 55.945 54.840 -0.045 0.000 0.749 158 L CB -0.637 41.511 42.059 0.149 0.000 0.901 158 L HN 0.312 nan 8.230 nan 0.000 0.433 159 A N 0.039 122.623 122.820 -0.395 0.000 2.019 159 A HA -0.192 4.131 4.320 0.005 0.000 0.219 159 A C 2.501 179.712 177.584 -0.623 0.000 1.164 159 A CA 1.681 53.210 52.037 -0.847 0.000 0.644 159 A CB -0.624 18.203 19.000 -0.289 0.000 0.805 159 A HN 0.526 nan 8.150 nan 0.000 0.449 160 S N -0.432 115.050 115.700 -0.363 0.000 2.447 160 S HA -0.092 4.381 4.470 0.005 0.000 0.233 160 S C 1.671 176.072 174.600 -0.332 0.000 1.006 160 S CA 1.249 59.294 58.200 -0.258 0.000 0.957 160 S CB -0.730 62.385 63.200 -0.143 0.000 0.773 160 S HN 0.239 nan 8.310 nan 0.000 0.507 161 V N 2.954 122.580 119.914 -0.480 0.000 2.244 161 V HA -0.163 3.961 4.120 0.005 0.000 0.244 161 V C 3.182 178.953 176.094 -0.539 0.000 1.042 161 V CA 2.042 63.991 62.300 -0.586 0.000 1.006 161 V CB -1.358 29.927 31.823 -0.897 0.000 0.641 161 V HN 0.805 nan 8.190 nan 0.000 0.446 162 S N 0.747 116.086 115.700 -0.602 0.000 2.383 162 S HA -0.265 4.208 4.470 0.005 0.000 0.229 162 S C 2.042 176.504 174.600 -0.230 0.000 1.030 162 S CA 1.617 59.597 58.200 -0.368 0.000 1.002 162 S CB -0.555 62.470 63.200 -0.292 0.000 0.829 162 S HN 0.583 nan 8.310 nan 0.000 0.467 163 R N 0.249 120.602 120.500 -0.246 0.000 2.092 163 R HA 0.127 4.470 4.340 0.005 0.000 0.231 163 R C 2.368 178.606 176.300 -0.104 0.000 1.119 163 R CA 1.253 57.274 56.100 -0.131 0.000 0.970 163 R CB -0.568 29.664 30.300 -0.114 0.000 0.864 163 R HN 0.381 nan 8.270 nan 0.000 0.440 164 L N 0.901 122.041 121.223 -0.137 0.000 2.072 164 L HA -0.049 4.295 4.340 0.005 0.000 0.205 164 L C 1.893 178.695 176.870 -0.113 0.000 1.079 164 L CA 1.447 56.228 54.840 -0.099 0.000 0.752 164 L CB -0.248 41.738 42.059 -0.123 0.000 0.906 164 L HN 0.109 nan 8.230 nan 0.000 0.436 165 L N -0.440 120.687 121.223 -0.160 0.000 2.127 165 L HA -0.207 4.136 4.340 0.005 0.000 0.211 165 L C 2.452 179.284 176.870 -0.064 0.000 1.089 165 L CA 1.260 56.026 54.840 -0.125 0.000 0.757 165 L CB -0.795 41.173 42.059 -0.152 0.000 0.899 165 L HN 0.381 nan 8.230 nan 0.000 0.434 166 A N -0.814 121.974 122.820 -0.054 0.000 2.169 166 A HA 0.259 4.583 4.320 0.005 0.000 0.212 166 A C 1.751 179.335 177.584 0.001 0.000 1.153 166 A CA 0.788 52.816 52.037 -0.015 0.000 0.756 166 A CB -0.308 18.689 19.000 -0.004 0.000 0.813 166 A HN 0.521 nan 8.150 nan 0.000 0.471 167 G N -0.147 108.643 108.800 -0.017 0.000 2.137 167 G HA2 -0.283 3.680 3.960 0.005 0.000 0.237 167 G HA3 -0.283 3.680 3.960 0.005 0.000 0.237 167 G C 0.734 175.621 174.900 -0.023 0.000 1.002 167 G CA 0.536 45.627 45.100 -0.014 0.000 0.702 167 G HN 1.263 nan 8.290 nan 0.000 0.515 168 I N -3.545 117.012 120.570 -0.022 0.000 3.427 168 I HA 0.379 4.552 4.170 0.005 0.000 0.288 168 I C -0.201 175.925 176.117 0.016 0.000 1.249 168 I CA -0.057 61.265 61.300 0.037 0.000 1.421 168 I CB 0.195 38.218 38.000 0.038 0.000 1.086 168 I HN -0.095 nan 8.210 nan 0.000 0.448 169 D N 0.905 121.247 120.400 -0.096 0.000 2.185 169 D HA 0.375 5.018 4.640 0.005 0.000 0.247 169 D C 0.210 176.294 176.300 -0.359 0.000 1.027 169 D CA -0.204 53.740 54.000 -0.093 0.000 0.861 169 D CB 1.069 41.877 40.800 0.013 0.000 1.202 169 D HN 0.219 nan 8.370 nan 0.000 0.453 170 H N 0.180 118.990 119.070 -0.433 0.000 3.540 170 H HA 0.122 4.681 4.556 0.005 0.000 0.259 170 H C -0.200 174.196 175.328 -1.554 0.000 1.197 170 H CA 0.007 55.409 56.048 -1.077 0.000 1.136 170 H CB 1.807 31.225 29.762 -0.573 0.000 1.605 170 H HN 0.581 nan 8.280 nan 0.000 0.657 171 E N 0.698 120.306 120.200 -0.987 0.000 2.392 171 E HA 0.575 4.928 4.350 0.005 0.000 0.279 171 E C -1.654 174.775 176.600 -0.285 0.000 0.964 171 E CA -0.794 55.216 56.400 -0.651 0.000 0.777 171 E CB 2.241 31.745 29.700 -0.326 0.000 1.249 171 E HN -0.046 nan 8.360 nan 0.000 0.449 172 L N 1.117 122.284 121.223 -0.094 0.000 2.371 172 L HA 0.596 4.939 4.340 0.005 0.000 0.262 172 L C -2.432 174.440 176.870 0.003 0.000 1.006 172 L CA -2.507 52.349 54.840 0.026 0.000 0.818 172 L CB 2.630 44.777 42.059 0.146 0.000 1.354 172 L HN 0.517 nan 8.230 nan 0.000 0.415 173 P HA 0.229 nan 4.420 nan 0.000 0.275 173 P C -1.071 176.256 177.300 0.044 0.000 1.227 173 P CA -0.139 62.975 63.100 0.023 0.000 0.781 173 P CB 1.574 33.287 31.700 0.022 0.000 0.906 174 V N -0.344 119.613 119.914 0.071 0.000 3.182 174 V HA 0.672 4.795 4.120 0.005 0.000 0.308 174 V C -1.184 175.017 176.094 0.179 0.000 1.240 174 V CA -1.040 61.335 62.300 0.125 0.000 1.063 174 V CB 1.840 33.740 31.823 0.129 0.000 1.076 174 V HN 0.550 nan 8.190 nan 0.000 0.446 175 Q N 0.502 120.435 119.800 0.222 0.000 2.305 175 Q HA 0.373 4.716 4.340 0.005 0.000 0.271 175 Q C -1.010 175.104 176.000 0.191 0.000 1.046 175 Q CA -0.646 55.285 55.803 0.213 0.000 0.798 175 Q CB 1.563 30.392 28.738 0.152 0.000 1.286 175 Q HN 1.077 nan 8.270 nan 0.000 0.435 176 H N 3.958 122.977 119.070 -0.086 0.000 2.928 176 H HA 0.018 4.578 4.556 0.005 0.000 0.338 176 H C -0.439 174.681 175.328 -0.347 0.000 1.047 176 H CA 0.773 56.498 56.048 -0.538 0.000 1.435 176 H CB 1.234 30.712 29.762 -0.474 0.000 1.428 176 H HN 0.691 nan 8.280 nan 0.000 0.590 177 L N 4.222 124.862 121.223 -0.971 0.000 2.694 177 L HA 0.404 4.747 4.340 0.005 0.000 0.228 177 L C 0.494 176.975 176.870 -0.649 0.000 1.048 177 L CA 1.254 55.665 54.840 -0.715 0.000 0.887 177 L CB 0.533 42.105 42.059 -0.813 0.000 1.265 177 L HN 0.758 nan 8.230 nan 0.000 0.492 178 G N -1.707 106.565 108.800 -0.879 0.000 2.677 178 G HA2 0.539 4.502 3.960 0.005 0.000 0.291 178 G HA3 0.539 4.502 3.960 0.005 0.000 0.291 178 G C -0.342 174.338 174.900 -0.367 0.000 1.435 178 G CA -0.005 44.824 45.100 -0.452 0.000 0.826 178 G HN 0.642 nan 8.290 nan 0.000 0.491 179 G N -0.227 108.515 108.800 -0.096 0.000 2.693 179 G HA2 0.251 4.214 3.960 0.005 0.000 0.226 179 G HA3 0.251 4.214 3.960 0.005 0.000 0.226 179 G C 0.163 175.131 174.900 0.113 0.000 1.354 179 G CA 0.740 45.829 45.100 -0.019 0.000 0.873 179 G HN 2.520 nan 8.290 nan 0.000 0.562 180 H N -0.130 119.012 119.070 0.119 0.000 2.757 180 H HA 0.666 5.225 4.556 0.005 0.000 0.370 180 H C 1.093 176.474 175.328 0.089 0.000 1.172 180 H CA 0.439 56.533 56.048 0.077 0.000 1.426 180 H CB 0.631 30.421 29.762 0.047 0.000 1.438 180 H HN 0.616 nan 8.280 nan 0.000 0.612 181 K N 0.539 121.030 120.400 0.151 0.000 2.373 181 K HA 0.084 4.408 4.320 0.005 0.000 0.202 181 K C -0.100 176.601 176.600 0.168 0.000 1.025 181 K CA -0.325 55.919 56.287 -0.072 0.000 1.115 181 K CB 0.547 32.875 32.500 -0.286 0.000 0.858 181 K HN 0.530 nan 8.250 nan 0.000 0.525 182 Q N 1.248 121.292 119.800 0.407 0.000 2.368 182 Q HA 0.116 4.460 4.340 0.005 0.000 0.237 182 Q C -0.014 176.137 176.000 0.252 0.000 0.987 182 Q CA -0.098 55.828 55.803 0.207 0.000 0.896 182 Q CB 0.587 29.320 28.738 -0.009 0.000 1.241 182 Q HN 0.126 nan 8.270 nan 0.000 0.485 183 R N 0.333 120.907 120.500 0.123 0.000 2.583 183 R HA 0.092 4.435 4.340 0.005 0.000 0.274 183 R C -0.863 175.503 176.300 0.109 0.000 0.998 183 R CA 0.168 56.320 56.100 0.088 0.000 1.081 183 R CB 0.260 30.581 30.300 0.034 0.000 0.940 183 R HN 0.294 nan 8.270 nan 0.000 0.413 184 V N 4.492 124.445 119.914 0.065 0.000 2.448 184 V HA 0.277 4.401 4.120 0.005 0.000 0.295 184 V C -0.358 175.729 176.094 -0.013 0.000 1.025 184 V CA -0.537 61.790 62.300 0.044 0.000 0.859 184 V CB 1.570 33.407 31.823 0.024 0.000 0.988 184 V HN 0.799 nan 8.190 nan 0.000 0.431 185 E N 2.906 123.104 120.200 -0.004 0.000 2.224 185 E HA 0.738 5.092 4.350 0.005 0.000 0.265 185 E C -0.291 176.300 176.600 -0.015 0.000 0.878 185 E CA -0.267 56.125 56.400 -0.013 0.000 0.759 185 E CB 2.039 31.738 29.700 -0.002 0.000 1.164 185 E HN 0.930 nan 8.360 nan 0.000 0.414 186 G N 1.762 110.545 108.800 -0.028 0.000 2.349 186 G HA2 0.490 4.453 3.960 0.005 0.000 0.294 186 G HA3 0.490 4.453 3.960 0.005 0.000 0.294 186 G C -1.357 173.510 174.900 -0.055 0.000 1.380 186 G CA -0.321 44.761 45.100 -0.030 0.000 0.811 186 G HN 0.612 nan 8.290 nan 0.000 0.519 187 A N -0.338 122.451 122.820 -0.052 0.000 2.440 187 A HA 0.612 4.935 4.320 0.005 0.000 0.251 187 A C 0.358 177.829 177.584 -0.188 0.000 1.089 187 A CA -0.091 51.887 52.037 -0.098 0.000 0.779 187 A CB 0.081 19.071 19.000 -0.016 0.000 1.022 187 A HN 0.767 nan 8.150 nan 0.000 0.492 188 L N 3.511 124.564 121.223 -0.283 0.000 2.313 188 L HA 0.435 4.778 4.340 0.005 0.000 0.282 188 L C 0.218 176.773 176.870 -0.524 0.000 1.092 188 L CA 0.026 54.626 54.840 -0.400 0.000 0.831 188 L CB 0.115 41.931 42.059 -0.404 0.000 1.159 188 L HN 0.749 nan 8.230 nan 0.000 0.442 189 I N 0.091 120.410 120.570 -0.419 0.000 3.174 189 I HA 1.006 5.179 4.170 0.005 0.000 0.313 189 I C 0.312 176.438 176.117 0.015 0.000 1.155 189 I CA -0.403 60.697 61.300 -0.333 0.000 0.977 189 I CB 2.225 40.210 38.000 -0.026 0.000 1.248 189 I HN 0.647 nan 8.210 nan 0.000 0.453 190 G N 1.036 110.064 108.800 0.380 0.000 2.501 190 G HA2 0.424 4.387 3.960 0.005 0.000 0.213 190 G HA3 0.424 4.387 3.960 0.005 0.000 0.213 190 G C 0.167 175.407 174.900 0.567 0.000 1.158 190 G CA -0.015 45.320 45.100 0.391 0.000 1.079 190 G HN 2.511 nan 8.290 nan 0.000 0.586 191 G N -0.154 108.901 108.800 0.425 0.000 2.390 191 G HA2 0.187 4.150 3.960 0.005 0.000 0.202 191 G HA3 0.187 4.150 3.960 0.005 0.000 0.202 191 G C -0.092 175.015 174.900 0.345 0.000 1.210 191 G CA 0.731 46.112 45.100 0.468 0.000 1.271 191 G HN 1.808 nan 8.290 nan 0.000 0.543 192 N N 1.501 120.394 118.700 0.322 0.000 2.442 192 N HA 0.224 4.968 4.740 0.005 0.000 0.265 192 N C 1.575 177.194 175.510 0.181 0.000 1.138 192 N CA 0.021 53.206 53.050 0.226 0.000 0.956 192 N CB 1.286 39.886 38.487 0.187 0.000 1.067 192 N HN 0.605 nan 8.380 nan 0.000 0.474 193 L N 4.934 126.262 121.223 0.174 0.000 2.012 193 L HA -0.141 4.202 4.340 0.005 0.000 0.210 193 L C 2.024 178.979 176.870 0.142 0.000 1.073 193 L CA 2.017 56.972 54.840 0.191 0.000 0.748 193 L CB -1.089 41.139 42.059 0.283 0.000 0.891 193 L HN 0.601 nan 8.230 nan 0.000 0.431 194 T N 0.063 114.683 114.554 0.110 0.000 2.708 194 T HA -0.151 4.202 4.350 0.005 0.000 0.266 194 T C 1.907 176.651 174.700 0.074 0.000 1.037 194 T CA 1.516 63.658 62.100 0.070 0.000 1.146 194 T CB -0.627 68.259 68.868 0.030 0.000 0.865 194 T HN 0.549 nan 8.240 nan 0.000 0.435 195 A N 1.018 123.888 122.820 0.083 0.000 1.902 195 A HA 0.005 4.328 4.320 0.005 0.000 0.217 195 A C 2.303 179.952 177.584 0.109 0.000 1.181 195 A CA 1.252 53.345 52.037 0.092 0.000 0.623 195 A CB -0.797 18.255 19.000 0.086 0.000 0.818 195 A HN 0.479 nan 8.150 nan 0.000 0.443 196 L N -1.023 120.274 121.223 0.124 0.000 2.072 196 L HA -0.110 4.233 4.340 0.005 0.000 0.205 196 L C 3.086 180.027 176.870 0.118 0.000 1.079 196 L CA 0.869 55.789 54.840 0.134 0.000 0.752 196 L CB -0.554 41.602 42.059 0.161 0.000 0.906 196 L HN 0.413 nan 8.230 nan 0.000 0.436 197 A N -0.729 122.157 122.820 0.110 0.000 1.940 197 A HA -0.248 4.075 4.320 0.005 0.000 0.219 197 A C 2.238 179.877 177.584 0.092 0.000 1.176 197 A CA 1.886 53.983 52.037 0.100 0.000 0.631 197 A CB -1.212 17.845 19.000 0.094 0.000 0.814 197 A HN 0.573 nan 8.150 nan 0.000 0.446 198 C N -0.472 118.880 119.300 0.086 0.000 2.511 198 C HA 0.089 4.552 4.460 0.005 0.000 0.277 198 C C 2.104 177.152 174.990 0.097 0.000 1.451 198 C CA 0.649 59.715 59.018 0.081 0.000 1.735 198 C CB -1.162 26.619 27.740 0.069 0.000 1.704 198 C HN 0.550 nan 8.230 nan 0.000 0.571 199 M N 0.140 119.802 119.600 0.103 0.000 2.333 199 M HA 0.239 4.722 4.480 0.005 0.000 0.257 199 M C 1.081 177.439 176.300 0.097 0.000 1.078 199 M CA -0.014 55.350 55.300 0.105 0.000 1.005 199 M CB -1.080 31.589 32.600 0.114 0.000 1.444 199 M HN 0.222 nan 8.290 nan 0.000 0.496 200 A N 0.450 123.326 122.820 0.094 0.000 2.531 200 A HA 0.437 4.760 4.320 0.005 0.000 0.236 200 A C 1.476 179.109 177.584 0.081 0.000 1.062 200 A CA 1.042 53.130 52.037 0.086 0.000 0.760 200 A CB -0.406 18.646 19.000 0.088 0.000 0.995 200 A HN 0.883 nan 8.150 nan 0.000 0.501 201 G N 1.032 109.876 108.800 0.073 0.000 2.179 201 G HA2 -0.146 3.817 3.960 0.005 0.000 0.260 201 G HA3 -0.146 3.817 3.960 0.005 0.000 0.260 201 G C 0.555 175.495 174.900 0.066 0.000 0.977 201 G CA 1.322 46.462 45.100 0.067 0.000 0.641 201 G HN 2.288 nan 8.290 nan 0.000 0.533 202 T N -2.110 112.488 114.554 0.074 0.000 2.940 202 T HA 0.646 4.999 4.350 0.005 0.000 0.288 202 T C 1.814 176.562 174.700 0.080 0.000 1.045 202 T CA -0.053 62.093 62.100 0.076 0.000 1.018 202 T CB 1.629 70.548 68.868 0.085 0.000 1.151 202 T HN 1.188 nan 8.240 nan 0.000 0.529 203 L N -0.813 120.460 121.223 0.084 0.000 2.349 203 L HA 0.289 4.632 4.340 0.005 0.000 0.220 203 L C 1.631 178.569 176.870 0.114 0.000 1.130 203 L CA 1.510 56.406 54.840 0.094 0.000 0.791 203 L CB -0.760 41.362 42.059 0.105 0.000 0.918 203 L HN 0.795 nan 8.230 nan 0.000 0.444 204 G N 0.023 108.894 108.800 0.119 0.000 3.337 204 G HA2 0.319 4.282 3.960 0.005 0.000 0.246 204 G HA3 0.319 4.282 3.960 0.005 0.000 0.246 204 G C 0.734 175.710 174.900 0.128 0.000 1.131 204 G CA 0.129 45.310 45.100 0.136 0.000 0.773 204 G HN 0.514 nan 8.290 nan 0.000 0.544 205 G N 0.410 109.277 108.800 0.111 0.000 2.484 205 G HA2 0.291 4.254 3.960 0.005 0.000 0.235 205 G HA3 0.291 4.254 3.960 0.005 0.000 0.235 205 G C 0.193 175.172 174.900 0.132 0.000 1.282 205 G CA -0.444 44.723 45.100 0.110 0.000 0.857 205 G HN 0.391 nan 8.290 nan 0.000 0.571 206 L N 1.356 122.663 121.223 0.140 0.000 2.640 206 L HA 0.044 4.388 4.340 0.005 0.000 0.280 206 L C 0.643 177.618 176.870 0.175 0.000 1.229 206 L CA 0.026 54.972 54.840 0.176 0.000 0.919 206 L CB -0.015 42.139 42.059 0.160 0.000 1.168 206 L HN 0.658 nan 8.230 nan 0.000 0.496 207 H N 5.082 124.219 119.070 0.112 0.000 2.864 207 H HA 0.538 5.097 4.556 0.005 0.000 0.281 207 H C -0.386 174.986 175.328 0.074 0.000 1.093 207 H CA 0.177 56.245 56.048 0.034 0.000 1.453 207 H CB 0.546 30.277 29.762 -0.051 0.000 1.462 207 H HN 0.691 nan 8.280 nan 0.000 0.480 208 A N 7.439 130.080 122.820 -0.299 0.000 3.258 208 A HA 0.316 4.639 4.320 0.005 0.000 0.318 208 A C -2.578 174.864 177.584 -0.237 0.000 0.990 208 A CA -1.345 50.578 52.037 -0.190 0.000 0.885 208 A CB -0.260 18.710 19.000 -0.051 0.000 1.090 208 A HN 0.593 nan 8.150 nan 0.000 0.479 209 P HA 0.294 nan 4.420 nan 0.000 0.269 209 P C 0.437 177.677 177.300 -0.100 0.000 1.215 209 P CA 0.120 63.091 63.100 -0.216 0.000 0.780 209 P CB 0.671 32.247 31.700 -0.206 0.000 0.898 210 A N 1.509 124.292 122.820 -0.062 0.000 2.565 210 A HA 0.363 4.687 4.320 0.005 0.000 0.237 210 A C 1.534 179.102 177.584 -0.025 0.000 1.053 210 A CA 0.869 52.885 52.037 -0.035 0.000 0.755 210 A CB -1.442 17.545 19.000 -0.022 0.000 0.980 210 A HN 0.971 nan 8.150 nan 0.000 0.506 211 G N 1.599 110.388 108.800 -0.018 0.000 2.176 211 G HA2 -0.216 3.747 3.960 0.005 0.000 0.253 211 G HA3 -0.216 3.747 3.960 0.005 0.000 0.253 211 G C 0.556 175.442 174.900 -0.023 0.000 0.979 211 G CA 0.424 45.517 45.100 -0.011 0.000 0.641 211 G HN 1.259 nan 8.290 nan 0.000 0.530 212 S N -0.054 115.624 115.700 -0.036 0.000 2.579 212 S HA 0.507 4.981 4.470 0.005 0.000 0.275 212 S C 0.631 175.188 174.600 -0.073 0.000 1.345 212 S CA 0.077 58.244 58.200 -0.055 0.000 1.031 212 S CB 0.977 64.145 63.200 -0.054 0.000 0.892 212 S HN 0.389 nan 8.310 nan 0.000 0.529 213 I N 2.669 123.166 120.570 -0.121 0.000 2.297 213 I HA 0.199 4.372 4.170 0.005 0.000 0.291 213 I C -0.535 175.468 176.117 -0.189 0.000 1.033 213 I CA -0.489 60.715 61.300 -0.160 0.000 1.253 213 I CB 0.816 38.685 38.000 -0.218 0.000 1.396 213 I HN 0.335 nan 8.210 nan 0.000 0.476 214 L N 9.309 130.459 121.223 -0.123 0.000 2.282 214 L HA 0.368 4.711 4.340 0.005 0.000 0.287 214 L C -0.264 176.539 176.870 -0.112 0.000 1.075 214 L CA -0.065 54.725 54.840 -0.083 0.000 0.839 214 L CB 0.772 42.824 42.059 -0.011 0.000 1.219 214 L HN 0.255 nan 8.230 nan 0.000 0.434 215 V N 6.714 126.515 119.914 -0.188 0.000 2.583 215 V HA 0.365 4.488 4.120 0.005 0.000 0.287 215 V C 0.278 176.369 176.094 -0.005 0.000 1.051 215 V CA -0.321 61.856 62.300 -0.206 0.000 1.010 215 V CB 1.233 32.758 31.823 -0.497 0.000 0.988 215 V HN 0.613 nan 8.190 nan 0.000 0.478 216 L N 4.889 126.130 121.223 0.029 0.000 2.431 216 L HA 0.718 5.061 4.340 0.005 0.000 0.266 216 L C -0.689 176.203 176.870 0.037 0.000 0.978 216 L CA -0.564 54.351 54.840 0.125 0.000 0.822 216 L CB 2.286 44.487 42.059 0.237 0.000 1.310 216 L HN 0.859 nan 8.230 nan 0.000 0.409 217 E N 0.907 121.054 120.200 -0.089 0.000 2.408 217 E HA 0.791 5.145 4.350 0.005 0.000 0.275 217 E C -1.749 174.530 176.600 -0.536 0.000 0.935 217 E CA -0.701 55.396 56.400 -0.504 0.000 0.775 217 E CB 2.813 32.462 29.700 -0.086 0.000 1.277 217 E HN 0.334 nan 8.360 nan 0.000 0.455 218 D N -0.293 119.618 120.400 -0.815 0.000 2.692 218 D HA 0.563 5.206 4.640 0.005 0.000 0.303 218 D C -1.782 174.402 176.300 -0.192 0.000 1.278 218 D CA -0.482 53.353 54.000 -0.275 0.000 0.852 218 D CB 2.212 42.997 40.800 -0.025 0.000 1.375 218 D HN 0.381 nan 8.370 nan 0.000 0.453 219 V N -0.429 119.377 119.914 -0.181 0.000 2.932 219 V HA 0.591 4.714 4.120 0.005 0.000 0.307 219 V C 0.334 176.373 176.094 -0.092 0.000 1.147 219 V CA 0.592 62.788 62.300 -0.172 0.000 0.951 219 V CB 1.495 33.022 31.823 -0.493 0.000 1.031 219 V HN 0.948 nan 8.190 nan 0.000 0.426 220 G N 3.659 112.452 108.800 -0.012 0.000 2.198 220 G HA2 -0.146 3.817 3.960 0.005 0.000 0.260 220 G HA3 -0.146 3.817 3.960 0.005 0.000 0.260 220 G C -0.167 174.739 174.900 0.010 0.000 1.025 220 G CA 0.612 45.709 45.100 -0.004 0.000 0.769 220 G HN 0.813 nan 8.290 nan 0.000 0.507 221 E N 0.456 120.688 120.200 0.054 0.000 2.199 221 E HA 0.434 4.787 4.350 0.005 0.000 0.269 221 E C -2.386 174.268 176.600 0.090 0.000 0.899 221 E CA -1.926 54.497 56.400 0.038 0.000 0.772 221 E CB 2.584 32.309 29.700 0.041 0.000 1.155 221 E HN 0.208 nan 8.360 nan 0.000 0.408 222 P HA 0.042 nan 4.420 nan 0.000 0.274 222 P C 0.547 177.939 177.300 0.153 0.000 1.237 222 P CA -0.212 62.932 63.100 0.074 0.000 0.793 222 P CB 0.747 32.482 31.700 0.058 0.000 0.977 223 Y N 0.838 121.145 120.300 0.012 0.000 2.207 223 Y HA -0.220 4.334 4.550 0.006 0.000 0.287 223 Y C 2.653 178.529 175.900 -0.039 0.000 1.156 223 Y CA 1.417 59.511 58.100 -0.011 0.000 1.182 223 Y CB -2.176 36.297 38.460 0.022 0.000 0.979 223 Y HN 0.468 nan 8.280 nan 0.000 0.521 224 Y N 0.170 120.540 120.300 0.116 0.000 2.274 224 Y HA -0.124 4.429 4.550 0.004 0.000 0.290 224 Y C 2.206 178.112 175.900 0.011 0.000 1.145 224 Y CA 1.096 59.217 58.100 0.034 0.000 1.203 224 Y CB -0.878 37.587 38.460 0.008 0.000 0.984 224 Y HN -0.131 nan 8.280 nan 0.000 0.533 225 R N 0.622 120.646 120.500 -0.793 0.000 2.090 225 R HA -0.016 4.327 4.340 0.005 0.000 0.228 225 R C 2.258 178.430 176.300 -0.213 0.000 1.110 225 R CA 1.548 57.315 56.100 -0.554 0.000 0.973 225 R CB -0.409 29.563 30.300 -0.548 0.000 0.869 225 R HN 0.413 nan 8.270 nan 0.000 0.440 226 L N 0.541 121.679 121.223 -0.141 0.000 2.017 226 L HA -0.185 4.158 4.340 0.005 0.000 0.208 226 L C 2.624 179.368 176.870 -0.210 0.000 1.073 226 L CA 1.464 56.245 54.840 -0.098 0.000 0.745 226 L CB -0.473 41.539 42.059 -0.078 0.000 0.894 226 L HN 0.272 nan 8.230 nan 0.000 0.432 227 E N 0.509 120.569 120.200 -0.234 0.000 2.077 227 E HA -0.293 4.060 4.350 0.005 0.000 0.193 227 E C 2.357 178.878 176.600 -0.131 0.000 0.989 227 E CA 1.296 57.526 56.400 -0.283 0.000 0.800 227 E CB 0.027 29.651 29.700 -0.126 0.000 0.746 227 E HN 0.264 nan 8.360 nan 0.000 0.452 228 R N 0.050 120.525 120.500 -0.042 0.000 2.091 228 R HA -0.121 4.222 4.340 0.005 0.000 0.238 228 R C 2.388 178.729 176.300 0.067 0.000 1.136 228 R CA 1.915 58.030 56.100 0.025 0.000 0.959 228 R CB -0.182 30.125 30.300 0.013 0.000 0.856 228 R HN 0.062 nan 8.270 nan 0.000 0.437 229 S N 0.766 116.473 115.700 0.012 0.000 2.368 229 S HA -0.124 4.349 4.470 0.005 0.000 0.224 229 S C 1.679 176.311 174.600 0.053 0.000 1.029 229 S CA 1.044 59.272 58.200 0.047 0.000 0.988 229 S CB -0.273 62.951 63.200 0.039 0.000 0.838 229 S HN 0.271 nan 8.310 nan 0.000 0.462 230 L N 0.496 121.691 121.223 -0.046 0.000 2.017 230 L HA 0.004 4.347 4.340 0.005 0.000 0.208 230 L C 1.915 178.767 176.870 -0.031 0.000 1.073 230 L CA 1.653 56.423 54.840 -0.117 0.000 0.745 230 L CB -0.767 41.021 42.059 -0.451 0.000 0.894 230 L HN 0.493 nan 8.230 nan 0.000 0.432 231 W N 0.322 121.522 121.300 -0.167 0.000 2.335 231 W HA -0.301 4.362 4.660 0.005 0.000 0.311 231 W C 2.808 179.369 176.519 0.070 0.000 1.213 231 W CA 2.286 59.678 57.345 0.078 0.000 1.274 231 W CB -0.179 29.368 29.460 0.145 0.000 1.148 231 W HN 0.384 nan 8.180 nan 0.000 0.498 232 Q N -0.057 119.997 119.800 0.423 0.000 2.050 232 Q HA -0.269 4.074 4.340 0.005 0.000 0.202 232 Q C 2.238 178.297 176.000 0.099 0.000 0.980 232 Q CA 2.032 58.012 55.803 0.294 0.000 0.840 232 Q CB -0.627 28.260 28.738 0.249 0.000 0.898 232 Q HN 0.384 nan 8.270 nan 0.000 0.424 233 L N 0.575 121.850 121.223 0.086 0.000 2.017 233 L HA -0.158 4.185 4.340 0.005 0.000 0.208 233 L C 2.111 178.988 176.870 0.013 0.000 1.073 233 L CA 1.649 56.526 54.840 0.061 0.000 0.745 233 L CB -0.449 41.660 42.059 0.083 0.000 0.894 233 L HN 0.335 nan 8.230 nan 0.000 0.432 234 L N -0.908 120.305 121.223 -0.018 0.000 2.056 234 L HA -0.141 4.202 4.340 0.005 0.000 0.207 234 L C 2.565 179.350 176.870 -0.142 0.000 1.078 234 L CA 0.982 55.789 54.840 -0.054 0.000 0.749 234 L CB -0.759 41.286 42.059 -0.024 0.000 0.901 234 L HN 0.294 nan 8.230 nan 0.000 0.433 235 E N 0.148 120.181 120.200 -0.279 0.000 2.204 235 E HA -0.167 4.186 4.350 0.005 0.000 0.195 235 E C 2.299 178.807 176.600 -0.155 0.000 0.990 235 E CA 1.556 57.747 56.400 -0.348 0.000 0.821 235 E CB -0.026 29.260 29.700 -0.689 0.000 0.750 235 E HN 0.533 nan 8.360 nan 0.000 0.477 236 S N 0.218 115.874 115.700 -0.075 0.000 2.528 236 S HA 0.036 4.509 4.470 0.005 0.000 0.219 236 S C 1.293 175.889 174.600 -0.006 0.000 0.985 236 S CA -0.224 57.968 58.200 -0.014 0.000 0.914 236 S CB -0.411 62.806 63.200 0.029 0.000 0.776 236 S HN 0.275 nan 8.310 nan 0.000 0.526 237 I N -1.985 118.575 120.570 -0.017 0.000 3.133 237 I HA 0.570 4.743 4.170 0.005 0.000 0.311 237 I C -0.799 175.302 176.117 -0.027 0.000 1.072 237 I CA -1.010 60.283 61.300 -0.011 0.000 1.015 237 I CB 1.036 39.037 38.000 0.001 0.000 1.233 237 I HN -0.245 nan 8.210 nan 0.000 0.473 238 D N 2.109 122.494 120.400 -0.025 0.000 2.551 238 D HA 0.322 4.965 4.640 0.005 0.000 0.223 238 D C 1.004 177.289 176.300 -0.026 0.000 1.144 238 D CA 0.146 54.129 54.000 -0.028 0.000 1.025 238 D CB 0.974 41.759 40.800 -0.025 0.000 1.085 238 D HN 0.682 nan 8.370 nan 0.000 0.506 239 A N 3.935 126.737 122.820 -0.030 0.000 1.933 239 A HA -0.163 4.160 4.320 0.005 0.000 0.218 239 A C 2.116 179.693 177.584 -0.013 0.000 1.175 239 A CA 0.870 52.895 52.037 -0.020 0.000 0.628 239 A CB -0.088 18.895 19.000 -0.029 0.000 0.814 239 A HN 0.466 nan 8.150 nan 0.000 0.444 240 R N -0.557 119.932 120.500 -0.018 0.000 2.189 240 R HA -0.086 4.257 4.340 0.005 0.000 0.223 240 R C 1.676 177.976 176.300 -0.001 0.000 1.092 240 R CA 1.311 57.406 56.100 -0.009 0.000 0.989 240 R CB -0.160 30.131 30.300 -0.015 0.000 0.876 240 R HN 0.661 nan 8.270 nan 0.000 0.457 241 Q N 0.241 120.037 119.800 -0.007 0.000 2.360 241 Q HA 0.151 4.494 4.340 0.005 0.000 0.202 241 Q C 0.006 176.004 176.000 -0.004 0.000 0.915 241 Q CA -0.149 55.651 55.803 -0.005 0.000 0.943 241 Q CB 0.383 29.113 28.738 -0.013 0.000 1.064 241 Q HN 0.270 nan 8.270 nan 0.000 0.511 242 L N -0.322 120.899 121.223 -0.003 0.000 2.483 242 L HA 0.010 4.353 4.340 0.005 0.000 0.275 242 L C 1.596 178.474 176.870 0.012 0.000 1.220 242 L CA 0.028 54.866 54.840 -0.004 0.000 0.833 242 L CB 0.399 42.456 42.059 -0.003 0.000 1.102 242 L HN 0.191 nan 8.230 nan 0.000 0.490 243 G N 1.302 110.104 108.800 0.004 0.000 2.396 243 G HA2 0.321 4.284 3.960 0.005 0.000 0.214 243 G HA3 0.321 4.284 3.960 0.005 0.000 0.214 243 G C 0.322 175.239 174.900 0.029 0.000 1.166 243 G CA 0.880 45.995 45.100 0.025 0.000 0.793 243 G HN 0.789 nan 8.290 nan 0.000 0.533 244 A N -1.386 121.430 122.820 -0.006 0.000 2.586 244 A HA 0.641 4.964 4.320 0.005 0.000 0.291 244 A C -1.772 175.802 177.584 -0.017 0.000 1.062 244 A CA -0.680 51.356 52.037 -0.002 0.000 0.666 244 A CB 0.507 19.497 19.000 -0.018 0.000 1.281 244 A HN 0.132 nan 8.150 nan 0.000 0.421 245 I N 0.423 120.997 120.570 0.007 0.000 2.404 245 I HA 0.492 4.665 4.170 0.005 0.000 0.293 245 I C -0.606 175.507 176.117 -0.006 0.000 0.992 245 I CA -0.461 60.836 61.300 -0.006 0.000 1.149 245 I CB 1.717 39.730 38.000 0.021 0.000 1.315 245 I HN 0.637 nan 8.210 nan 0.000 0.446 246 C N 8.121 127.386 119.300 -0.058 0.000 2.344 246 C HA 0.517 4.980 4.460 0.005 0.000 0.326 246 C C -0.197 174.754 174.990 -0.065 0.000 1.201 246 C CA -0.640 58.346 59.018 -0.054 0.000 1.410 246 C CB -0.297 27.345 27.740 -0.163 0.000 2.070 246 C HN 0.648 nan 8.230 nan 0.000 0.445 247 L N 6.488 127.692 121.223 -0.031 0.000 2.319 247 L HA 0.466 4.810 4.340 0.005 0.000 0.280 247 L C 1.298 178.211 176.870 0.072 0.000 1.099 247 L CA 0.172 55.019 54.840 0.013 0.000 0.828 247 L CB 0.747 42.759 42.059 -0.077 0.000 1.150 247 L HN 0.868 nan 8.230 nan 0.000 0.442 248 G N 1.951 110.791 108.800 0.067 0.000 2.546 248 G HA2 0.284 4.247 3.960 0.005 0.000 0.239 248 G HA3 0.284 4.247 3.960 0.005 0.000 0.239 248 G C -0.000 174.962 174.900 0.105 0.000 1.476 248 G CA -0.301 44.835 45.100 0.060 0.000 1.064 248 G HN 0.650 nan 8.290 nan 0.000 0.561 249 S N -1.467 114.256 115.700 0.038 0.000 2.601 249 S HA 0.549 5.022 4.470 0.005 0.000 0.271 249 S C -0.982 173.546 174.600 -0.120 0.000 1.305 249 S CA -0.473 57.782 58.200 0.091 0.000 1.022 249 S CB 1.125 64.378 63.200 0.088 0.000 0.940 249 S HN 0.280 nan 8.310 nan 0.000 0.525 250 F N 0.835 120.855 119.950 0.116 0.000 2.451 250 F HA 0.305 4.834 4.527 0.004 0.000 0.367 250 F C 0.530 176.408 175.800 0.130 0.000 1.100 250 F CA -0.572 57.504 58.000 0.126 0.000 1.171 250 F CB 1.202 40.276 39.000 0.123 0.000 1.405 250 F HN 0.526 nan 8.300 nan 0.000 0.482 251 T N 2.308 116.958 114.554 0.159 0.000 2.817 251 T HA 0.119 4.472 4.350 0.005 0.000 0.293 251 T C -0.139 174.636 174.700 0.125 0.000 0.964 251 T CA -0.345 61.838 62.100 0.139 0.000 1.085 251 T CB 0.481 69.427 68.868 0.130 0.000 0.921 251 T HN 0.474 nan 8.240 nan 0.000 0.502 252 D N 0.883 121.356 120.400 0.122 0.000 2.689 252 D HA -0.145 4.498 4.640 0.005 0.000 0.237 252 D C -0.503 175.866 176.300 0.115 0.000 1.148 252 D CA 0.411 54.471 54.000 0.099 0.000 0.656 252 D CB -1.538 39.301 40.800 0.065 0.000 1.050 252 D HN 0.493 nan 8.370 nan 0.000 0.426 253 C N 2.159 121.567 119.300 0.180 0.000 2.250 253 C HA 0.326 4.789 4.460 0.005 0.000 0.319 253 C C -1.625 173.501 174.990 0.226 0.000 1.124 253 C CA -1.423 57.737 59.018 0.236 0.000 1.527 253 C CB 0.571 28.527 27.740 0.360 0.000 2.001 253 C HN 0.209 nan 8.230 nan 0.000 0.435 254 P HA 0.166 nan 4.420 nan 0.000 0.276 254 P C 0.499 177.669 177.300 -0.216 0.000 1.243 254 P CA 0.085 63.181 63.100 -0.006 0.000 0.768 254 P CB 0.916 32.611 31.700 -0.010 0.000 0.856 255 R N 3.724 124.032 120.500 -0.320 0.000 2.090 255 R HA -0.054 4.289 4.340 0.005 0.000 0.228 255 R C 0.405 176.440 176.300 -0.443 0.000 1.110 255 R CA 0.715 56.383 56.100 -0.721 0.000 0.973 255 R CB -0.297 29.809 30.300 -0.324 0.000 0.869 255 R HN 0.371 nan 8.270 nan 0.000 0.440 256 K N 1.189 121.463 120.400 -0.211 0.000 3.451 256 K HA -0.200 4.123 4.320 0.005 0.000 0.273 256 K C -0.683 175.853 176.600 -0.107 0.000 0.944 256 K CA 0.743 56.955 56.287 -0.125 0.000 0.734 256 K CB -0.772 31.665 32.500 -0.104 0.000 1.437 256 K HN 0.409 nan 8.250 nan 0.000 0.454 257 E N -3.244 116.905 120.200 -0.085 0.000 3.916 257 E HA -0.187 4.166 4.350 0.005 0.000 0.331 257 E C 0.090 176.661 176.600 -0.048 0.000 0.729 257 E CA 1.370 57.740 56.400 -0.050 0.000 1.222 257 E CB -1.630 28.047 29.700 -0.037 0.000 1.633 257 E HN 0.408 nan 8.360 nan 0.000 0.437 258 V N 0.850 120.712 119.914 -0.087 0.000 2.720 258 V HA 0.090 4.213 4.120 0.005 0.000 0.307 258 V C 1.922 178.034 176.094 0.030 0.000 1.071 258 V CA 1.137 63.411 62.300 -0.044 0.000 1.199 258 V CB 1.220 33.012 31.823 -0.053 0.000 0.900 258 V HN 0.426 nan 8.190 nan 0.000 0.494 259 A N 4.052 126.884 122.820 0.020 0.000 2.067 259 A HA 0.012 4.335 4.320 0.005 0.000 0.217 259 A C 0.893 178.644 177.584 0.278 0.000 1.156 259 A CA 0.705 52.797 52.037 0.091 0.000 0.683 259 A CB -0.385 18.636 19.000 0.035 0.000 0.808 259 A HN 0.927 nan 8.150 nan 0.000 0.455 260 H N -0.027 119.102 119.070 0.097 0.000 2.457 260 H HA 0.399 4.957 4.556 0.005 0.000 0.335 260 H C 0.236 175.670 175.328 0.176 0.000 1.115 260 H CA -0.407 55.704 56.048 0.105 0.000 1.219 260 H CB 1.504 31.319 29.762 0.087 0.000 1.471 260 H HN 0.391 nan 8.280 nan 0.000 0.491 261 S N 2.061 117.905 115.700 0.239 0.000 2.608 261 S HA -0.012 4.461 4.470 0.005 0.000 0.261 261 S C 1.188 175.830 174.600 0.070 0.000 1.314 261 S CA -0.707 57.622 58.200 0.215 0.000 0.992 261 S CB 1.043 64.317 63.200 0.122 0.000 0.935 261 S HN 0.495 nan 8.310 nan 0.000 0.564 262 L N 1.126 122.291 121.223 -0.096 0.000 2.093 262 L HA 0.021 4.364 4.340 0.005 0.000 0.208 262 L C 2.506 179.334 176.870 -0.071 0.000 1.085 262 L CA 1.807 56.435 54.840 -0.354 0.000 0.755 262 L CB -1.265 40.510 42.059 -0.473 0.000 0.904 262 L HN 0.906 nan 8.230 nan 0.000 0.435 263 E N -0.952 119.232 120.200 -0.027 0.000 2.110 263 E HA -0.275 4.078 4.350 0.005 0.000 0.193 263 E C 2.277 178.855 176.600 -0.037 0.000 0.988 263 E CA 1.153 57.527 56.400 -0.044 0.000 0.804 263 E CB -0.179 29.469 29.700 -0.087 0.000 0.745 263 E HN 0.409 nan 8.360 nan 0.000 0.458 264 R N 0.907 121.388 120.500 -0.032 0.000 2.075 264 R HA -0.126 4.217 4.340 0.005 0.000 0.232 264 R C 2.248 178.539 176.300 -0.015 0.000 1.126 264 R CA 1.110 57.181 56.100 -0.049 0.000 0.963 264 R CB -0.132 30.114 30.300 -0.090 0.000 0.858 264 R HN 0.136 nan 8.270 nan 0.000 0.435 265 I N 0.008 120.573 120.570 -0.008 0.000 2.163 265 I HA -0.263 3.910 4.170 0.005 0.000 0.240 265 I C 1.882 178.000 176.117 0.001 0.000 1.081 265 I CA 1.300 62.598 61.300 -0.004 0.000 1.353 265 I CB -0.335 37.577 38.000 -0.146 0.000 1.054 265 I HN 0.113 nan 8.210 nan 0.000 0.407 266 F N 1.133 121.031 119.950 -0.086 0.000 2.171 266 F HA -0.125 4.405 4.527 0.004 0.000 0.300 266 F C 2.557 178.338 175.800 -0.032 0.000 1.090 266 F CA 1.576 59.525 58.000 -0.085 0.000 1.293 266 F CB -1.180 37.697 39.000 -0.205 0.000 1.013 266 F HN 0.031 nan 8.300 nan 0.000 0.486 267 G N -0.767 108.088 108.800 0.092 0.000 2.442 267 G HA2 -0.310 3.654 3.960 0.005 0.000 0.219 267 G HA3 -0.310 3.654 3.960 0.005 0.000 0.219 267 G C 1.567 176.475 174.900 0.014 0.000 1.141 267 G CA 1.023 46.123 45.100 -0.000 0.000 0.763 267 G HN 0.419 nan 8.290 nan 0.000 0.554 268 E N -0.817 119.405 120.200 0.036 0.000 2.072 268 E HA -0.128 4.225 4.350 0.005 0.000 0.191 268 E C 2.135 178.709 176.600 -0.043 0.000 0.985 268 E CA 0.633 57.025 56.400 -0.014 0.000 0.801 268 E CB -0.192 29.501 29.700 -0.010 0.000 0.750 268 E HN 0.558 nan 8.360 nan 0.000 0.452 269 Y N 0.262 120.549 120.300 -0.023 0.000 2.200 269 Y HA -0.107 4.446 4.550 0.005 0.000 0.290 269 Y C 2.347 178.242 175.900 -0.008 0.000 1.137 269 Y CA 1.292 59.384 58.100 -0.014 0.000 1.163 269 Y CB -0.451 37.993 38.460 -0.026 0.000 0.988 269 Y HN 0.169 nan 8.280 nan 0.000 0.518 270 A N -0.088 122.821 122.820 0.147 0.000 1.933 270 A HA -0.139 4.184 4.320 0.005 0.000 0.218 270 A C 2.407 179.997 177.584 0.010 0.000 1.175 270 A CA 1.743 53.819 52.037 0.065 0.000 0.628 270 A CB -1.198 17.821 19.000 0.032 0.000 0.814 270 A HN 0.405 nan 8.150 nan 0.000 0.444 271 A N -0.219 122.595 122.820 -0.010 0.000 1.933 271 A HA 0.195 4.518 4.320 0.005 0.000 0.218 271 A C 2.443 180.006 177.584 -0.035 0.000 1.175 271 A CA 1.885 53.905 52.037 -0.028 0.000 0.628 271 A CB -0.851 18.125 19.000 -0.040 0.000 0.814 271 A HN 1.020 nan 8.150 nan 0.000 0.444 272 A N 0.433 123.218 122.820 -0.058 0.000 1.969 272 A HA -0.000 4.323 4.320 0.005 0.000 0.218 272 A C 1.967 179.520 177.584 -0.053 0.000 1.169 272 A CA 1.390 53.379 52.037 -0.081 0.000 0.635 272 A CB -0.664 18.241 19.000 -0.158 0.000 0.810 272 A HN 0.988 nan 8.150 nan 0.000 0.445 273 I N -4.501 116.052 120.570 -0.029 0.000 3.883 273 I HA 0.253 4.426 4.170 0.005 0.000 0.326 273 I C -0.063 176.053 176.117 -0.001 0.000 1.283 273 I CA 0.413 61.703 61.300 -0.017 0.000 1.161 273 I CB -0.344 37.653 38.000 -0.005 0.000 1.012 273 I HN 0.250 nan 8.210 nan 0.000 0.421 274 E N 0.895 121.097 120.200 0.002 0.000 2.320 274 E HA -0.131 4.222 4.350 0.005 0.000 0.234 274 E C -0.808 175.816 176.600 0.039 0.000 1.183 274 E CA 0.078 56.490 56.400 0.020 0.000 0.713 274 E CB -1.341 28.372 29.700 0.023 0.000 1.226 274 E HN 0.419 nan 8.360 nan 0.000 0.382 275 V N 0.881 120.807 119.914 0.020 0.000 2.604 275 V HA 0.412 4.535 4.120 0.005 0.000 0.305 275 V C -1.815 174.255 176.094 -0.040 0.000 1.043 275 V CA -1.752 60.557 62.300 0.014 0.000 0.888 275 V CB 1.903 33.737 31.823 0.019 0.000 0.995 275 V HN 0.051 nan 8.190 nan 0.000 0.429 276 P HA 0.231 nan 4.420 nan 0.000 0.269 276 P C -1.039 176.208 177.300 -0.089 0.000 1.215 276 P CA -0.265 62.725 63.100 -0.184 0.000 0.780 276 P CB 1.130 32.629 31.700 -0.336 0.000 0.898 277 L N 3.442 124.523 121.223 -0.237 0.000 2.356 277 L HA 0.489 4.832 4.340 0.005 0.000 0.277 277 L C -1.312 175.302 176.870 -0.427 0.000 0.996 277 L CA -0.802 53.907 54.840 -0.218 0.000 0.822 277 L CB 0.947 42.866 42.059 -0.234 0.000 1.256 277 L HN 0.244 nan 8.230 nan 0.000 0.413 278 Y N 3.937 124.104 120.300 -0.221 0.000 2.587 278 Y HA 0.727 5.280 4.550 0.005 0.000 0.337 278 Y C 0.083 175.945 175.900 -0.063 0.000 1.065 278 Y CA -0.441 57.577 58.100 -0.137 0.000 1.126 278 Y CB 1.681 40.098 38.460 -0.072 0.000 1.279 278 Y HN 0.753 nan 8.280 nan 0.000 0.489 279 H N -1.864 117.162 119.070 -0.074 0.000 2.928 279 H HA 0.353 4.912 4.556 0.005 0.000 0.285 279 H C -0.645 174.668 175.328 -0.025 0.000 1.438 279 H CA -1.571 54.400 56.048 -0.129 0.000 1.176 279 H CB 0.656 30.241 29.762 -0.295 0.000 1.864 279 H HN 0.902 nan 8.280 nan 0.000 0.567 280 H N -1.531 117.436 119.070 -0.171 0.000 2.992 280 H HA -0.175 4.385 4.556 0.005 0.000 0.266 280 H C -0.216 175.077 175.328 -0.059 0.000 1.200 280 H CA 0.354 56.290 56.048 -0.187 0.000 1.135 280 H CB -1.089 28.469 29.762 -0.340 0.000 1.282 280 H HN 0.344 nan 8.280 nan 0.000 0.351 281 L N 3.485 124.758 121.223 0.085 0.000 2.455 281 L HA 0.142 4.485 4.340 0.005 0.000 0.272 281 L C -1.593 175.312 176.870 0.059 0.000 1.174 281 L CA -1.099 53.768 54.840 0.044 0.000 0.869 281 L CB 0.517 42.562 42.059 -0.023 0.000 1.130 281 L HN -0.091 nan 8.230 nan 0.000 0.474 282 P HA 0.087 nan 4.420 nan 0.000 0.225 282 P C -0.956 176.390 177.300 0.076 0.000 1.813 282 P CA -0.059 63.073 63.100 0.054 0.000 1.013 282 P CB 0.278 32.003 31.700 0.040 0.000 1.961 283 S N 0.926 116.679 115.700 0.090 0.000 2.575 283 S HA 0.785 5.258 4.470 0.005 0.000 0.278 283 S C -0.306 174.359 174.600 0.108 0.000 1.139 283 S CA 0.046 58.329 58.200 0.139 0.000 0.954 283 S CB 1.232 64.604 63.200 0.286 0.000 1.054 283 S HN 0.543 nan 8.310 nan 0.000 0.483 284 G N 3.291 112.130 108.800 0.065 0.000 2.332 284 G HA2 0.099 4.062 3.960 0.005 0.000 0.265 284 G HA3 0.099 4.062 3.960 0.005 0.000 0.265 284 G C -0.680 174.250 174.900 0.050 0.000 1.329 284 G CA -0.530 44.643 45.100 0.123 0.000 0.949 284 G HN 0.681 nan 8.290 nan 0.000 0.476 285 H N 0.102 119.273 119.070 0.168 0.000 2.539 285 H HA 0.392 4.951 4.556 0.005 0.000 0.269 285 H C 1.742 177.136 175.328 0.110 0.000 0.980 285 H CA 1.139 57.315 56.048 0.213 0.000 1.152 285 H CB 0.366 30.236 29.762 0.180 0.000 1.407 285 H HN 0.672 nan 8.280 nan 0.000 0.564 286 G N -0.627 108.260 108.800 0.145 0.000 2.509 286 G HA2 0.323 4.286 3.960 0.005 0.000 0.269 286 G HA3 0.323 4.286 3.960 0.005 0.000 0.269 286 G C 1.266 176.191 174.900 0.042 0.000 1.416 286 G CA 0.006 45.161 45.100 0.092 0.000 1.052 286 G HN 0.342 nan 8.290 nan 0.000 0.542 287 A N -1.453 121.388 122.820 0.035 0.000 1.933 287 A HA 0.021 4.344 4.320 0.005 0.000 0.218 287 A C 1.521 179.103 177.584 -0.003 0.000 1.175 287 A CA 1.054 53.102 52.037 0.017 0.000 0.628 287 A CB -0.305 18.709 19.000 0.022 0.000 0.814 287 A HN 0.475 nan 8.150 nan 0.000 0.444 288 Q N 0.465 120.265 119.800 -0.000 0.000 2.389 288 Q HA 0.208 4.551 4.340 0.005 0.000 0.244 288 Q C -1.098 174.884 176.000 -0.031 0.000 1.056 288 Q CA -0.068 55.730 55.803 -0.008 0.000 0.908 288 Q CB 0.362 29.104 28.738 0.006 0.000 1.273 288 Q HN 0.425 nan 8.270 nan 0.000 0.471 289 N N 2.695 121.351 118.700 -0.074 0.000 2.711 289 N HA 0.075 4.818 4.740 0.005 0.000 0.263 289 N C -1.233 174.205 175.510 -0.121 0.000 1.667 289 N CA -0.310 52.649 53.050 -0.151 0.000 0.785 289 N CB 0.476 38.742 38.487 -0.369 0.000 1.231 289 N HN 0.196 nan 8.380 nan 0.000 0.503 290 R N 0.570 121.062 120.500 -0.014 0.000 2.438 290 R HA 0.425 4.768 4.340 0.005 0.000 0.287 290 R C 0.250 176.574 176.300 0.040 0.000 1.077 290 R CA -0.378 55.731 56.100 0.016 0.000 1.034 290 R CB 0.182 30.532 30.300 0.084 0.000 0.993 290 R HN 0.420 nan 8.270 nan 0.000 0.459 291 A N 4.760 127.549 122.820 -0.053 0.000 2.462 291 A HA 0.323 4.646 4.320 0.005 0.000 0.243 291 A C -0.212 177.360 177.584 -0.020 0.000 1.076 291 A CA -0.242 51.704 52.037 -0.152 0.000 0.773 291 A CB 0.218 19.077 19.000 -0.235 0.000 1.010 291 A HN 0.758 nan 8.150 nan 0.000 0.493 292 W N 0.990 122.168 121.300 -0.205 0.000 3.033 292 W HA 0.573 5.236 4.660 0.005 0.000 0.336 292 W C -3.200 173.006 176.519 -0.522 0.000 1.173 292 W CA -2.895 54.133 57.345 -0.528 0.000 1.185 292 W CB 1.196 30.369 29.460 -0.478 0.000 1.425 292 W HN 0.416 nan 8.180 nan 0.000 0.536 293 P HA 0.070 nan 4.420 nan 0.000 0.281 293 P C -1.172 176.070 177.300 -0.097 0.000 1.286 293 P CA 0.307 63.189 63.100 -0.363 0.000 0.772 293 P CB 0.649 32.002 31.700 -0.579 0.000 0.862 294 Y N 3.231 123.454 120.300 -0.128 0.000 2.359 294 Y HA 0.385 4.938 4.550 0.005 0.000 0.334 294 Y C 1.612 177.442 175.900 -0.117 0.000 1.058 294 Y CA 1.535 59.624 58.100 -0.019 0.000 1.244 294 Y CB 0.350 38.756 38.460 -0.090 0.000 1.187 294 Y HN 0.812 nan 8.280 nan 0.000 0.510 295 G N 4.065 112.534 108.800 -0.552 0.000 2.176 295 G HA2 -0.324 3.640 3.960 0.005 0.000 0.253 295 G HA3 -0.324 3.640 3.960 0.005 0.000 0.253 295 G C 0.201 174.882 174.900 -0.366 0.000 0.979 295 G CA 0.217 44.837 45.100 -0.801 0.000 0.641 295 G HN 0.656 nan 8.290 nan 0.000 0.530 296 K N 1.263 121.534 120.400 -0.215 0.000 2.218 296 K HA 0.502 4.825 4.320 0.005 0.000 0.276 296 K C 0.467 177.017 176.600 -0.083 0.000 1.022 296 K CA -0.068 56.155 56.287 -0.106 0.000 0.946 296 K CB 0.360 32.791 32.500 -0.114 0.000 1.000 296 K HN 0.050 nan 8.250 nan 0.000 0.468 297 T N 2.284 116.831 114.554 -0.012 0.000 2.902 297 T HA 0.273 4.626 4.350 0.005 0.000 0.301 297 T C -0.326 174.406 174.700 0.054 0.000 1.012 297 T CA -0.076 62.030 62.100 0.010 0.000 1.151 297 T CB 0.826 69.715 68.868 0.033 0.000 0.946 297 T HN 0.648 nan 8.240 nan 0.000 0.542 298 A N 2.926 125.763 122.820 0.028 0.000 2.527 298 A HA 0.806 5.129 4.320 0.005 0.000 0.293 298 A C -1.021 176.572 177.584 0.014 0.000 1.117 298 A CA -0.742 51.342 52.037 0.078 0.000 0.723 298 A CB 1.639 20.689 19.000 0.083 0.000 1.313 298 A HN 0.624 nan 8.150 nan 0.000 0.411 299 V N 1.007 120.929 119.914 0.013 0.000 2.487 299 V HA 0.520 4.643 4.120 0.005 0.000 0.298 299 V C -1.120 174.924 176.094 -0.083 0.000 1.028 299 V CA -0.436 61.844 62.300 -0.033 0.000 0.860 299 V CB 1.331 33.142 31.823 -0.019 0.000 0.991 299 V HN 0.745 nan 8.190 nan 0.000 0.427 300 L N 4.499 125.635 121.223 -0.144 0.000 2.305 300 L HA 0.741 5.084 4.340 0.005 0.000 0.284 300 L C -0.446 176.308 176.870 -0.192 0.000 1.013 300 L CA 0.226 54.898 54.840 -0.279 0.000 0.819 300 L CB 1.230 42.996 42.059 -0.487 0.000 1.227 300 L HN 0.866 nan 8.230 nan 0.000 0.417 301 E N 3.259 123.393 120.200 -0.111 0.000 2.397 301 E HA 0.503 4.856 4.350 0.005 0.000 0.293 301 E C 0.282 176.927 176.600 0.075 0.000 0.930 301 E CA 0.128 56.542 56.400 0.022 0.000 0.793 301 E CB 1.056 30.757 29.700 0.003 0.000 1.259 301 E HN 0.858 nan 8.360 nan 0.000 0.406 302 G N 4.400 113.288 108.800 0.147 0.000 2.634 302 G HA2 -0.405 3.558 3.960 0.005 0.000 0.318 302 G HA3 -0.405 3.558 3.960 0.005 0.000 0.318 302 G C 0.405 175.416 174.900 0.185 0.000 1.207 302 G CA 0.817 45.995 45.100 0.130 0.000 0.987 302 G HN 0.838 nan 8.290 nan 0.000 0.547 303 N N 1.111 119.878 118.700 0.110 0.000 2.273 303 N HA 0.255 4.999 4.740 0.005 0.000 0.231 303 N C 0.372 175.920 175.510 0.063 0.000 1.134 303 N CA 0.110 53.226 53.050 0.110 0.000 0.856 303 N CB 0.383 38.917 38.487 0.079 0.000 1.068 303 N HN 0.586 nan 8.380 nan 0.000 0.510 304 R N 0.264 120.782 120.500 0.030 0.000 2.725 304 R HA 0.404 4.747 4.340 0.005 0.000 0.277 304 R C -1.403 174.857 176.300 -0.067 0.000 0.987 304 R CA -0.835 55.252 56.100 -0.022 0.000 0.901 304 R CB 1.987 32.261 30.300 -0.044 0.000 1.207 304 R HN 0.174 nan 8.270 nan 0.000 0.463 305 L N 2.487 123.668 121.223 -0.070 0.000 2.296 305 L HA 0.537 4.880 4.340 0.005 0.000 0.286 305 L C -0.667 176.173 176.870 -0.051 0.000 1.023 305 L CA -0.048 54.753 54.840 -0.065 0.000 0.812 305 L CB 0.937 42.969 42.059 -0.045 0.000 1.223 305 L HN 0.483 nan 8.230 nan 0.000 0.421 306 R N 3.864 124.340 120.500 -0.040 0.000 2.795 306 R HA 0.755 5.098 4.340 0.005 0.000 0.275 306 R C -1.622 174.722 176.300 0.072 0.000 0.981 306 R CA -0.615 55.397 56.100 -0.146 0.000 0.917 306 R CB 1.823 32.033 30.300 -0.150 0.000 1.202 306 R HN 0.782 nan 8.270 nan 0.000 0.469 307 W N 0.000 121.330 121.300 0.049 0.000 2.388 307 W HA 0.000 4.663 4.660 0.005 0.000 0.303 307 W CA 0.000 57.384 57.345 0.065 0.000 1.226 307 W CB 0.000 29.479 29.460 0.031 0.000 1.126 307 W HN 0.000 nan 8.180 nan 0.000 0.535