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 2w19_1_B DATA FIRST_RESID 3 DATA SEQUENCE WTVDIPIXXX XXLPPLPTDL RTRLDAALAK PAAQQPTWPA DQALAMRTVL DATA SEQUENCE ESVPPVTVPS EIVRLQEQLA QVAKGEAFLL QGGDCAETFM DNTEPHIRGN DATA SEQUENCE VRALLQMAVV LTYGASMPVV KVARIAGQYA KPRSADIDAL GLRSYRGDMI DATA SEQUENCE NGFAPDAAAR EHDPSRLVRA YANASAAMNL VRALTSSGLA SLHLVHDWNR DATA SEQUENCE EFVRTSPAGA RYEALATEID RGLRFMSACG VADRNLQTAE IYASHEALVL DATA SEQUENCE DYERAMLRLS DGDDGEPQLF DLSAHTVWIG ERTRQIDGAH IAFAQVIANP DATA SEQUENCE VGVKLGPNMT PELAVEYVER LDPHNKPGRL TLVSRMGNHK VRDLLPPIVE DATA SEQUENCE KVQATGHQVI WQCDPMHGNX XXXXXXXXTR HFDRIVDEVQ GFFEVHRALG DATA SEQUENCE THPGGIHVEI TXXXXXXXXX XXXXXXXXXX XXXXXXXXXX RLNTQQSLEL DATA SEQUENCE AFLVAEMLRD 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 3 W HA 0.000 nan 4.660 nan 0.000 0.303 3 W C 0.000 176.520 176.519 0.001 0.000 1.175 3 W CA 0.000 57.347 57.345 0.003 0.000 1.226 3 W CB 0.000 29.461 29.460 0.002 0.000 1.126 4 T N 0.089 114.642 114.554 -0.003 0.000 2.906 4 T HA 0.746 5.095 4.350 -0.000 0.000 0.295 4 T C -0.942 173.752 174.700 -0.011 0.000 1.061 4 T CA -0.283 61.813 62.100 -0.006 0.000 1.000 4 T CB 1.391 70.256 68.868 -0.005 0.000 1.103 4 T HN 1.656 nan 8.240 nan 0.000 0.486 5 V N 2.179 122.084 119.914 -0.015 0.000 2.617 5 V HA 0.539 4.659 4.120 -0.000 0.000 0.298 5 V C -0.548 175.536 176.094 -0.017 0.000 1.048 5 V CA -0.507 61.783 62.300 -0.017 0.000 0.964 5 V CB 1.740 33.550 31.823 -0.022 0.000 1.004 5 V HN 0.980 nan 8.190 nan 0.000 0.466 6 D N 3.009 123.400 120.400 -0.015 0.000 2.362 6 D HA 0.635 5.275 4.640 -0.000 0.000 0.247 6 D C -0.736 175.554 176.300 -0.017 0.000 1.050 6 D CA -0.045 53.946 54.000 -0.016 0.000 0.839 6 D CB 1.898 42.690 40.800 -0.013 0.000 1.283 6 D HN 0.275 nan 8.370 nan 0.000 0.477 7 I N 2.715 123.273 120.570 -0.020 0.000 2.512 7 I HA 0.287 4.456 4.170 -0.000 0.000 0.287 7 I C -2.314 173.788 176.117 -0.024 0.000 1.069 7 I CA -1.845 59.442 61.300 -0.022 0.000 1.056 7 I CB 2.083 40.068 38.000 -0.025 0.000 1.229 7 I HN 0.098 nan 8.210 nan 0.000 0.429 8 P HA 0.459 nan 4.420 nan 0.000 0.293 8 P C -0.236 177.049 177.300 -0.025 0.000 1.300 8 P CA -0.439 62.648 63.100 -0.022 0.000 0.792 8 P CB 1.078 32.768 31.700 -0.017 0.000 0.925 16 P HA 0.631 nan 4.420 nan 0.000 0.269 16 P C -2.495 174.803 177.300 -0.002 0.000 1.209 16 P CA -0.723 62.375 63.100 -0.004 0.000 0.776 16 P CB -0.162 31.536 31.700 -0.003 0.000 0.876 17 P HA 0.201 nan 4.420 nan 0.000 0.279 17 P C -0.383 176.918 177.300 0.001 0.000 1.239 17 P CA -0.403 62.697 63.100 -0.000 0.000 0.789 17 P CB 0.479 32.179 31.700 -0.000 0.000 0.933 18 L N 4.058 125.282 121.223 0.002 0.000 2.506 18 L HA 0.084 4.424 4.340 -0.000 0.000 0.281 18 L C -1.676 175.194 176.870 0.000 0.000 1.228 18 L CA -1.448 53.393 54.840 0.002 0.000 0.850 18 L CB -0.646 41.413 42.059 -0.000 0.000 1.110 18 L HN 0.293 nan 8.230 nan 0.000 0.496 19 P HA -0.033 nan 4.420 nan 0.000 0.264 19 P C 0.682 177.981 177.300 -0.003 0.000 1.179 19 P CA 0.125 63.224 63.100 -0.001 0.000 0.763 19 P CB 0.443 32.142 31.700 -0.002 0.000 0.806 20 T N 0.868 115.420 114.554 -0.002 0.000 2.665 20 T HA -0.211 4.138 4.350 -0.000 0.000 0.268 20 T C 1.304 176.002 174.700 -0.003 0.000 1.035 20 T CA 2.007 64.106 62.100 -0.002 0.000 1.151 20 T CB -0.715 68.152 68.868 -0.001 0.000 0.862 20 T HN 0.639 nan 8.240 nan 0.000 0.438 21 D N 1.663 122.060 120.400 -0.005 0.000 2.144 21 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 21 D C 2.132 178.425 176.300 -0.012 0.000 0.984 21 D CA 0.856 54.852 54.000 -0.007 0.000 0.834 21 D CB -0.711 40.086 40.800 -0.006 0.000 0.955 21 D HN 0.364 nan 8.370 nan 0.000 0.465 22 L N -0.205 121.009 121.223 -0.015 0.000 2.093 22 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 22 L C 2.845 179.703 176.870 -0.020 0.000 1.085 22 L CA 0.735 55.560 54.840 -0.025 0.000 0.755 22 L CB -0.401 41.641 42.059 -0.027 0.000 0.904 22 L HN 0.033 nan 8.230 nan 0.000 0.435 23 R N 0.480 120.974 120.500 -0.010 0.000 2.073 23 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 23 R C 2.147 178.447 176.300 -0.000 0.000 1.134 23 R CA 2.333 58.431 56.100 -0.002 0.000 0.952 23 R CB -1.113 29.187 30.300 0.001 0.000 0.850 23 R HN 0.168 nan 8.270 nan 0.000 0.433 24 T N 0.638 115.191 114.554 -0.002 0.000 2.684 24 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 24 T C 1.862 176.562 174.700 -0.001 0.000 1.036 24 T CA 1.865 63.965 62.100 0.000 0.000 1.148 24 T CB -0.192 68.675 68.868 -0.001 0.000 0.863 24 T HN 0.338 nan 8.240 nan 0.000 0.436 25 R N 0.180 120.675 120.500 -0.009 0.000 2.075 25 R HA 0.056 4.396 4.340 -0.000 0.000 0.232 25 R C 2.379 178.672 176.300 -0.011 0.000 1.126 25 R CA 0.796 56.888 56.100 -0.014 0.000 0.963 25 R CB -0.524 29.760 30.300 -0.027 0.000 0.858 25 R HN 0.207 nan 8.270 nan 0.000 0.435 26 L N 1.450 122.665 121.223 -0.014 0.000 2.017 26 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 26 L C 1.259 178.152 176.870 0.039 0.000 1.073 26 L CA 1.959 56.802 54.840 0.005 0.000 0.745 26 L CB -0.488 41.573 42.059 0.003 0.000 0.894 26 L HN 0.043 nan 8.230 nan 0.000 0.432 27 D N -0.049 120.367 120.400 0.027 0.000 2.104 27 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 27 D C 2.208 178.525 176.300 0.029 0.000 0.994 27 D CA 1.652 55.670 54.000 0.029 0.000 0.830 27 D CB -0.302 40.509 40.800 0.019 0.000 0.959 27 D HN 0.492 nan 8.370 nan 0.000 0.452 28 A N 0.865 123.698 122.820 0.022 0.000 1.933 28 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 28 A C 2.297 179.900 177.584 0.031 0.000 1.175 28 A CA 2.290 54.340 52.037 0.021 0.000 0.628 28 A CB -0.712 18.295 19.000 0.013 0.000 0.814 28 A HN 0.243 nan 8.150 nan 0.000 0.444 29 A N -0.300 122.546 122.820 0.042 0.000 1.877 29 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 29 A C 2.078 179.706 177.584 0.072 0.000 1.186 29 A CA 1.479 53.556 52.037 0.067 0.000 0.620 29 A CB -0.557 18.500 19.000 0.095 0.000 0.822 29 A HN 0.467 nan 8.150 nan 0.000 0.443 30 L N -0.933 120.335 121.223 0.075 0.000 2.395 30 L HA -0.024 4.316 4.340 -0.000 0.000 0.218 30 L C 2.725 179.609 176.870 0.023 0.000 1.130 30 L CA 0.579 55.447 54.840 0.047 0.000 0.826 30 L CB -0.290 41.805 42.059 0.060 0.000 0.941 30 L HN 0.428 nan 8.230 nan 0.000 0.451 31 A N -0.317 122.519 122.820 0.027 0.000 2.119 31 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 31 A C 1.126 178.721 177.584 0.019 0.000 1.152 31 A CA 0.341 52.390 52.037 0.020 0.000 0.708 31 A CB -0.127 18.885 19.000 0.020 0.000 0.805 31 A HN 0.219 nan 8.150 nan 0.000 0.460 32 K N 0.942 121.355 120.400 0.023 0.000 2.276 32 K HA 0.255 4.575 4.320 -0.000 0.000 0.259 32 K C -2.495 174.119 176.600 0.023 0.000 1.001 32 K CA -1.675 54.627 56.287 0.026 0.000 0.927 32 K CB 0.070 32.592 32.500 0.036 0.000 0.969 32 K HN 0.113 nan 8.250 nan 0.000 0.490 33 P HA 0.015 nan 4.420 nan 0.000 0.267 33 P C -1.428 175.903 177.300 0.051 0.000 1.205 33 P CA -0.066 63.054 63.100 0.032 0.000 0.765 33 P CB 0.807 32.527 31.700 0.033 0.000 0.828 34 A N 3.111 125.957 122.820 0.043 0.000 2.273 34 A HA 0.654 4.974 4.320 -0.000 0.000 0.315 34 A C 0.212 177.862 177.584 0.109 0.000 1.256 34 A CA -0.670 51.416 52.037 0.081 0.000 0.851 34 A CB 0.791 19.774 19.000 -0.030 0.000 1.172 34 A HN 0.597 nan 8.150 nan 0.000 0.508 35 A N 2.103 125.016 122.820 0.155 0.000 2.304 35 A HA 0.560 4.880 4.320 -0.000 0.000 0.271 35 A C 0.689 178.310 177.584 0.061 0.000 1.091 35 A CA -0.119 51.958 52.037 0.067 0.000 0.812 35 A CB 0.054 19.062 19.000 0.014 0.000 1.056 35 A HN 1.194 nan 8.150 nan 0.000 0.489 36 Q N -1.196 118.604 119.800 0.000 0.000 2.494 36 Q HA -0.145 4.195 4.340 -0.000 0.000 0.266 36 Q C -0.512 175.460 176.000 -0.047 0.000 1.053 36 Q CA 0.989 56.772 55.803 -0.032 0.000 1.029 36 Q CB -1.556 27.143 28.738 -0.065 0.000 1.423 36 Q HN 0.819 nan 8.270 nan 0.000 0.516 37 Q N 0.433 120.204 119.800 -0.047 0.000 2.259 37 Q HA 0.468 4.808 4.340 -0.000 0.000 0.246 37 Q C -1.882 173.993 176.000 -0.208 0.000 0.920 37 Q CA -1.814 53.920 55.803 -0.116 0.000 0.895 37 Q CB 0.345 29.030 28.738 -0.088 0.000 1.220 37 Q HN 0.033 nan 8.270 nan 0.000 0.439 38 P HA 0.008 nan 4.420 nan 0.000 0.268 38 P C 0.210 177.231 177.300 -0.465 0.000 1.208 38 P CA 0.140 62.879 63.100 -0.601 0.000 0.777 38 P CB 0.344 30.988 31.700 -1.760 0.000 0.875 39 T N -2.592 111.860 114.554 -0.169 0.000 3.258 39 T HA 0.245 4.595 4.350 -0.000 0.000 0.263 39 T C 0.003 174.686 174.700 -0.028 0.000 0.983 39 T CA -0.748 61.256 62.100 -0.160 0.000 0.907 39 T CB -0.948 67.799 68.868 -0.202 0.000 1.096 39 T HN 0.378 nan 8.240 nan 0.000 0.556 40 W N 1.257 122.611 121.300 0.091 0.000 2.129 40 W HA 0.672 5.332 4.660 -0.000 0.000 0.349 40 W C -2.886 173.654 176.519 0.036 0.000 1.279 40 W CA -3.516 53.867 57.345 0.063 0.000 1.306 40 W CB -1.183 28.328 29.460 0.084 0.000 1.140 40 W HN -0.078 nan 8.180 nan 0.000 0.613 41 P HA 0.229 nan 4.420 nan 0.000 0.271 41 P C 0.683 178.085 177.300 0.170 0.000 1.216 41 P CA 0.191 63.401 63.100 0.183 0.000 0.771 41 P CB 0.992 32.753 31.700 0.103 0.000 0.864 42 A N 3.641 126.542 122.820 0.136 0.000 1.940 42 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 42 A C 1.820 179.434 177.584 0.050 0.000 1.176 42 A CA 2.045 54.146 52.037 0.106 0.000 0.631 42 A CB -1.093 17.955 19.000 0.079 0.000 0.814 42 A HN 0.700 nan 8.150 nan 0.000 0.446 43 D N -0.544 119.875 120.400 0.031 0.000 2.144 43 D HA -0.223 4.417 4.640 -0.000 0.000 0.200 43 D C 1.813 178.098 176.300 -0.025 0.000 0.978 43 D CA 1.593 55.596 54.000 0.004 0.000 0.833 43 D CB -0.691 40.112 40.800 0.006 0.000 0.961 43 D HN 0.651 nan 8.370 nan 0.000 0.470 44 Q N 0.439 120.217 119.800 -0.038 0.000 2.083 44 Q HA 0.041 4.381 4.340 -0.000 0.000 0.198 44 Q C 2.509 178.400 176.000 -0.182 0.000 0.969 44 Q CA 1.341 57.085 55.803 -0.099 0.000 0.838 44 Q CB -0.193 28.486 28.738 -0.100 0.000 0.900 44 Q HN 0.402 nan 8.270 nan 0.000 0.436 45 A N 1.138 123.839 122.820 -0.199 0.000 1.917 45 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 45 A C 2.067 179.588 177.584 -0.104 0.000 1.182 45 A CA 1.444 53.348 52.037 -0.222 0.000 0.633 45 A CB -0.697 18.292 19.000 -0.019 0.000 0.819 45 A HN 0.373 nan 8.150 nan 0.000 0.448 46 L N -0.355 120.838 121.223 -0.050 0.000 2.046 46 L HA -0.026 4.313 4.340 -0.000 0.000 0.208 46 L C 2.625 179.464 176.870 -0.051 0.000 1.077 46 L CA 2.207 57.027 54.840 -0.033 0.000 0.747 46 L CB -0.848 41.204 42.059 -0.013 0.000 0.896 46 L HN 0.338 nan 8.230 nan 0.000 0.432 47 A N -0.537 122.244 122.820 -0.065 0.000 1.883 47 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 47 A C 2.196 179.730 177.584 -0.083 0.000 1.186 47 A CA 2.270 54.267 52.037 -0.067 0.000 0.624 47 A CB -0.543 18.416 19.000 -0.067 0.000 0.822 47 A HN 0.495 nan 8.150 nan 0.000 0.444 48 M N -0.591 118.940 119.600 -0.115 0.000 2.132 48 M HA -0.066 4.413 4.480 -0.000 0.000 0.263 48 M C 2.157 178.402 176.300 -0.092 0.000 1.065 48 M CA 1.319 56.547 55.300 -0.120 0.000 1.122 48 M CB -1.285 31.203 32.600 -0.186 0.000 1.365 48 M HN 0.406 nan 8.290 nan 0.000 0.411 49 R N -0.508 119.945 120.500 -0.077 0.000 2.096 49 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 49 R C 2.157 178.416 176.300 -0.069 0.000 1.127 49 R CA 1.771 57.836 56.100 -0.059 0.000 0.968 49 R CB -0.757 29.525 30.300 -0.030 0.000 0.861 49 R HN 0.394 nan 8.270 nan 0.000 0.440 50 T N 0.824 115.340 114.554 -0.062 0.000 2.788 50 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 50 T C 2.037 176.692 174.700 -0.074 0.000 1.044 50 T CA 1.203 63.268 62.100 -0.059 0.000 1.139 50 T CB -0.153 68.687 68.868 -0.047 0.000 0.867 50 T HN -0.003 nan 8.240 nan 0.000 0.454 51 V N 1.660 121.524 119.914 -0.082 0.000 2.287 51 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 51 V C 2.443 178.448 176.094 -0.147 0.000 1.053 51 V CA 1.539 63.781 62.300 -0.097 0.000 1.027 51 V CB -0.651 31.120 31.823 -0.086 0.000 0.646 51 V HN 0.461 nan 8.190 nan 0.000 0.447 52 L N -0.451 120.670 121.223 -0.170 0.000 2.362 52 L HA -0.126 4.213 4.340 -0.000 0.000 0.219 52 L C 2.385 179.113 176.870 -0.237 0.000 1.134 52 L CA 1.118 55.795 54.840 -0.270 0.000 0.807 52 L CB -0.568 41.347 42.059 -0.240 0.000 0.927 52 L HN 0.418 nan 8.230 nan 0.000 0.447 53 E N -0.197 119.913 120.200 -0.150 0.000 2.338 53 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 53 E C 1.853 178.390 176.600 -0.104 0.000 1.007 53 E CA 1.262 57.596 56.400 -0.110 0.000 0.849 53 E CB 0.164 29.822 29.700 -0.070 0.000 0.774 53 E HN 0.495 nan 8.360 nan 0.000 0.506 54 S N -0.529 115.100 115.700 -0.119 0.000 2.559 54 S HA 0.086 4.556 4.470 -0.000 0.000 0.226 54 S C 0.787 175.322 174.600 -0.108 0.000 1.000 54 S CA -0.385 57.759 58.200 -0.092 0.000 0.948 54 S CB -0.146 63.012 63.200 -0.069 0.000 0.870 54 S HN 0.078 nan 8.310 nan 0.000 0.497 55 V N 0.109 119.910 119.914 -0.189 0.000 3.051 55 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 55 V C -2.794 173.243 176.094 -0.095 0.000 1.083 55 V CA -2.060 60.119 62.300 -0.201 0.000 1.104 55 V CB -0.711 30.768 31.823 -0.574 0.000 1.027 55 V HN 0.021 nan 8.190 nan 0.000 0.483 56 P HA 0.247 nan 4.420 nan 0.000 0.265 56 P C -2.470 174.919 177.300 0.149 0.000 1.193 56 P CA -0.636 62.515 63.100 0.084 0.000 0.765 56 P CB -0.273 31.494 31.700 0.112 0.000 0.823 57 P HA 0.009 nan 4.420 nan 0.000 0.274 57 P C 0.632 178.019 177.300 0.145 0.000 1.246 57 P CA -0.145 63.019 63.100 0.107 0.000 0.795 57 P CB 0.832 32.556 31.700 0.040 0.000 1.006 58 V N -0.141 119.862 119.914 0.148 0.000 2.453 58 V HA -0.051 4.069 4.120 -0.000 0.000 0.247 58 V C 1.510 177.612 176.094 0.012 0.000 1.048 58 V CA 2.343 64.697 62.300 0.090 0.000 1.049 58 V CB -1.057 30.833 31.823 0.112 0.000 0.672 58 V HN 0.821 nan 8.190 nan 0.000 0.457 59 T N -1.557 112.979 114.554 -0.030 0.000 2.907 59 T HA 0.726 5.075 4.350 -0.000 0.000 0.290 59 T C -0.778 173.911 174.700 -0.017 0.000 1.066 59 T CA -0.289 61.758 62.100 -0.088 0.000 1.012 59 T CB 2.118 70.755 68.868 -0.385 0.000 1.184 59 T HN 0.290 nan 8.240 nan 0.000 0.522 60 V N -1.690 118.233 119.914 0.016 0.000 2.864 60 V HA 0.620 4.740 4.120 -0.000 0.000 0.314 60 V C -2.335 173.705 176.094 -0.091 0.000 1.073 60 V CA -2.645 59.634 62.300 -0.035 0.000 0.956 60 V CB 1.387 33.196 31.823 -0.022 0.000 1.023 60 V HN 0.612 nan 8.190 nan 0.000 0.435 61 P HA -0.155 nan 4.420 nan 0.000 0.216 61 P C 1.965 179.094 177.300 -0.285 0.000 1.153 61 P CA 2.443 65.158 63.100 -0.642 0.000 0.858 61 P CB 0.051 31.128 31.700 -1.039 0.000 0.789 62 S N -0.392 115.219 115.700 -0.148 0.000 2.400 62 S HA -0.220 4.250 4.470 -0.000 0.000 0.232 62 S C 1.833 176.456 174.600 0.038 0.000 1.025 62 S CA 1.325 59.500 58.200 -0.043 0.000 0.993 62 S CB -1.212 61.973 63.200 -0.026 0.000 0.808 62 S HN 0.271 nan 8.310 nan 0.000 0.478 63 E N 1.065 121.320 120.200 0.092 0.000 2.107 63 E HA 0.049 4.399 4.350 -0.000 0.000 0.191 63 E C 1.986 178.732 176.600 0.242 0.000 0.982 63 E CA 1.162 57.681 56.400 0.198 0.000 0.809 63 E CB -0.332 29.558 29.700 0.318 0.000 0.756 63 E HN 0.589 nan 8.360 nan 0.000 0.459 64 I N 0.566 121.284 120.570 0.246 0.000 2.252 64 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 64 I C 2.266 178.483 176.117 0.167 0.000 1.102 64 I CA 0.676 62.126 61.300 0.250 0.000 1.385 64 I CB -0.133 38.078 38.000 0.350 0.000 1.064 64 I HN -0.023 nan 8.210 nan 0.000 0.414 65 V N 1.025 121.034 119.914 0.159 0.000 2.343 65 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 65 V C 2.638 178.768 176.094 0.060 0.000 1.051 65 V CA 2.083 64.454 62.300 0.118 0.000 1.036 65 V CB -0.806 31.079 31.823 0.104 0.000 0.654 65 V HN 0.438 nan 8.190 nan 0.000 0.451 66 R N -0.072 120.466 120.500 0.063 0.000 2.092 66 R HA -0.163 4.177 4.340 -0.000 0.000 0.231 66 R C 2.241 178.537 176.300 -0.007 0.000 1.119 66 R CA 1.630 57.762 56.100 0.052 0.000 0.970 66 R CB -0.374 29.984 30.300 0.096 0.000 0.864 66 R HN 0.434 nan 8.270 nan 0.000 0.440 67 L N 1.252 122.417 121.223 -0.098 0.000 2.046 67 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 67 L C 2.380 179.126 176.870 -0.206 0.000 1.077 67 L CA 2.059 56.668 54.840 -0.385 0.000 0.747 67 L CB -0.793 40.888 42.059 -0.630 0.000 0.896 67 L HN 0.269 nan 8.230 nan 0.000 0.432 68 Q N 0.181 119.926 119.800 -0.091 0.000 2.096 68 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 68 Q C 2.041 178.015 176.000 -0.043 0.000 0.982 68 Q CA 2.363 58.135 55.803 -0.050 0.000 0.850 68 Q CB -0.271 28.467 28.738 -0.001 0.000 0.901 68 Q HN 0.692 nan 8.270 nan 0.000 0.422 69 E N -0.338 119.846 120.200 -0.028 0.000 2.077 69 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 69 E C 2.200 178.785 176.600 -0.025 0.000 0.989 69 E CA 1.350 57.739 56.400 -0.017 0.000 0.800 69 E CB -0.110 29.590 29.700 -0.000 0.000 0.746 69 E HN 0.524 nan 8.360 nan 0.000 0.452 70 Q N 0.304 120.080 119.800 -0.040 0.000 2.119 70 Q HA -0.076 4.264 4.340 -0.000 0.000 0.201 70 Q C 2.292 178.263 176.000 -0.049 0.000 0.972 70 Q CA 0.804 56.587 55.803 -0.034 0.000 0.847 70 Q CB 0.023 28.742 28.738 -0.031 0.000 0.903 70 Q HN 0.309 nan 8.270 nan 0.000 0.433 71 L N 0.037 121.210 121.223 -0.083 0.000 2.201 71 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 71 L C 2.447 179.287 176.870 -0.050 0.000 1.105 71 L CA 0.610 55.404 54.840 -0.077 0.000 0.775 71 L CB -0.539 41.459 42.059 -0.103 0.000 0.913 71 L HN 0.207 nan 8.230 nan 0.000 0.440 72 A N -0.503 122.293 122.820 -0.041 0.000 1.908 72 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 72 A C 2.265 179.833 177.584 -0.028 0.000 1.181 72 A CA 1.326 53.344 52.037 -0.031 0.000 0.627 72 A CB -0.334 18.652 19.000 -0.025 0.000 0.818 72 A HN 0.371 nan 8.150 nan 0.000 0.445 73 Q N -0.289 119.497 119.800 -0.023 0.000 2.124 73 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 73 Q C 2.359 178.345 176.000 -0.023 0.000 0.977 73 Q CA 1.583 57.373 55.803 -0.021 0.000 0.850 73 Q CB -0.688 28.046 28.738 -0.006 0.000 0.901 73 Q HN 0.522 nan 8.270 nan 0.000 0.429 74 V N 1.262 121.176 119.914 0.000 0.000 2.295 74 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 74 V C 2.443 178.564 176.094 0.045 0.000 1.049 74 V CA 1.856 64.184 62.300 0.047 0.000 1.024 74 V CB -1.215 30.627 31.823 0.031 0.000 0.648 74 V HN 0.322 nan 8.190 nan 0.000 0.447 75 A N -0.165 122.657 122.820 0.003 0.000 1.940 75 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 75 A C 2.173 179.747 177.584 -0.017 0.000 1.176 75 A CA 1.985 54.020 52.037 -0.002 0.000 0.631 75 A CB -0.454 18.524 19.000 -0.036 0.000 0.814 75 A HN 0.593 nan 8.150 nan 0.000 0.446 76 K N -1.485 118.881 120.400 -0.056 0.000 2.487 76 K HA 0.234 4.554 4.320 -0.000 0.000 0.192 76 K C 0.943 177.437 176.600 -0.176 0.000 1.027 76 K CA 0.457 56.697 56.287 -0.079 0.000 1.054 76 K CB -0.058 32.407 32.500 -0.057 0.000 0.824 76 K HN 0.691 nan 8.250 nan 0.000 0.510 77 G N 1.701 110.271 108.800 -0.385 0.000 2.131 77 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.223 77 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.223 77 G C 0.229 174.825 174.900 -0.506 0.000 0.990 77 G CA 0.056 44.642 45.100 -0.856 0.000 0.671 77 G HN 0.448 nan 8.290 nan 0.000 0.521 78 E N -0.557 119.496 120.200 -0.246 0.000 2.562 78 E HA 0.569 4.919 4.350 -0.000 0.000 0.214 78 E C 0.764 177.368 176.600 0.007 0.000 0.979 78 E CA 0.542 56.892 56.400 -0.083 0.000 1.002 78 E CB 0.972 30.639 29.700 -0.055 0.000 1.048 78 E HN 0.925 nan 8.360 nan 0.000 0.488 79 A N 0.701 123.558 122.820 0.062 0.000 2.588 79 A HA 0.661 4.981 4.320 -0.000 0.000 0.290 79 A C -2.056 175.735 177.584 0.345 0.000 1.136 79 A CA -0.624 51.512 52.037 0.165 0.000 0.681 79 A CB 1.185 20.244 19.000 0.100 0.000 1.282 79 A HN 0.107 nan 8.150 nan 0.000 0.421 80 F N 0.174 120.206 119.950 0.137 0.000 2.540 80 F HA 0.677 5.204 4.527 -0.000 0.000 0.317 80 F C -0.977 174.863 175.800 0.067 0.000 1.104 80 F CA -1.104 56.972 58.000 0.126 0.000 0.913 80 F CB 1.927 40.994 39.000 0.112 0.000 1.170 80 F HN 0.526 nan 8.300 nan 0.000 0.450 81 L N 7.122 128.028 121.223 -0.527 0.000 2.264 81 L HA 0.551 4.891 4.340 -0.000 0.000 0.289 81 L C -1.638 174.959 176.870 -0.455 0.000 1.044 81 L CA -0.579 54.035 54.840 -0.376 0.000 0.807 81 L CB 1.006 42.876 42.059 -0.315 0.000 1.192 81 L HN 0.615 nan 8.230 nan 0.000 0.425 82 L N 5.250 126.383 121.223 -0.149 0.000 2.280 82 L HA 0.550 4.889 4.340 -0.000 0.000 0.287 82 L C -0.685 176.115 176.870 -0.117 0.000 1.023 82 L CA 0.174 54.970 54.840 -0.074 0.000 0.819 82 L CB 1.257 43.356 42.059 0.067 0.000 1.212 82 L HN 0.829 nan 8.230 nan 0.000 0.420 83 Q N 3.436 123.114 119.800 -0.204 0.000 2.340 83 Q HA 0.800 5.140 4.340 -0.000 0.000 0.268 83 Q C -0.844 175.007 176.000 -0.249 0.000 1.031 83 Q CA -0.465 55.156 55.803 -0.304 0.000 0.804 83 Q CB 1.916 30.278 28.738 -0.626 0.000 1.286 83 Q HN 0.963 nan 8.270 nan 0.000 0.448 84 G N 0.826 109.547 108.800 -0.131 0.000 2.506 84 G HA2 0.704 4.664 3.960 -0.000 0.000 0.292 84 G HA3 0.704 4.664 3.960 -0.000 0.000 0.292 84 G C -0.821 174.089 174.900 0.017 0.000 1.425 84 G CA 0.003 45.086 45.100 -0.027 0.000 0.788 84 G HN 1.029 nan 8.290 nan 0.000 0.490 85 G N -0.851 107.974 108.800 0.042 0.000 2.320 85 G HA2 0.372 4.332 3.960 -0.000 0.000 0.274 85 G HA3 0.372 4.332 3.960 -0.000 0.000 0.274 85 G C -1.608 173.332 174.900 0.066 0.000 1.324 85 G CA -0.356 44.766 45.100 0.036 0.000 0.957 85 G HN 0.752 nan 8.290 nan 0.000 0.481 86 D N -0.085 120.356 120.400 0.069 0.000 2.488 86 D HA 0.178 4.818 4.640 -0.000 0.000 0.238 86 D C 1.677 178.040 176.300 0.104 0.000 1.138 86 D CA 0.473 54.529 54.000 0.094 0.000 0.873 86 D CB 1.417 42.291 40.800 0.122 0.000 1.183 86 D HN 0.684 nan 8.370 nan 0.000 0.458 87 C N 2.835 122.192 119.300 0.095 0.000 2.398 87 C HA -0.013 4.447 4.460 -0.000 0.000 0.276 87 C C 0.904 175.953 174.990 0.099 0.000 1.222 87 C CA 1.294 60.376 59.018 0.106 0.000 1.746 87 C CB -0.681 27.104 27.740 0.076 0.000 2.039 87 C HN 0.666 nan 8.230 nan 0.000 0.470 88 A N 0.041 122.896 122.820 0.058 0.000 2.408 88 A HA 0.616 4.936 4.320 -0.000 0.000 0.295 88 A C -0.785 176.792 177.584 -0.011 0.000 1.040 88 A CA -0.446 51.600 52.037 0.016 0.000 0.707 88 A CB 0.664 19.680 19.000 0.028 0.000 1.235 88 A HN 0.619 nan 8.150 nan 0.000 0.418 89 E N 1.097 121.233 120.200 -0.108 0.000 2.366 89 E HA 0.444 4.794 4.350 -0.000 0.000 0.266 89 E C 0.220 176.855 176.600 0.058 0.000 1.051 89 E CA 0.150 56.485 56.400 -0.107 0.000 0.884 89 E CB 1.001 30.424 29.700 -0.462 0.000 1.006 89 E HN 0.719 nan 8.360 nan 0.000 0.417 90 T N -1.179 113.463 114.554 0.146 0.000 2.907 90 T HA 0.294 4.644 4.350 -0.000 0.000 0.292 90 T C 0.524 175.406 174.700 0.304 0.000 1.043 90 T CA -0.802 61.385 62.100 0.145 0.000 1.003 90 T CB 0.543 69.390 68.868 -0.035 0.000 1.084 90 T HN 0.183 nan 8.240 nan 0.000 0.483 91 F N 0.906 120.920 119.950 0.106 0.000 2.161 91 F HA 0.005 4.532 4.527 -0.000 0.000 0.300 91 F C 2.515 178.315 175.800 0.000 0.000 1.089 91 F CA 0.861 58.864 58.000 0.004 0.000 1.282 91 F CB -0.971 37.983 39.000 -0.077 0.000 1.010 91 F HN 0.639 nan 8.300 nan 0.000 0.485 92 M N -0.016 119.679 119.600 0.158 0.000 2.149 92 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 92 M C 0.626 176.926 176.300 0.000 0.000 1.064 92 M CA 2.015 57.347 55.300 0.054 0.000 1.102 92 M CB -0.272 32.325 32.600 -0.004 0.000 1.369 92 M HN -0.096 nan 8.290 nan 0.000 0.408 93 D N 0.288 120.658 120.400 -0.051 0.000 2.368 93 D HA 0.071 4.711 4.640 -0.000 0.000 0.218 93 D C -0.109 176.144 176.300 -0.079 0.000 1.112 93 D CA 0.156 54.049 54.000 -0.178 0.000 0.834 93 D CB -0.489 40.019 40.800 -0.487 0.000 0.953 93 D HN 0.286 nan 8.370 nan 0.000 0.505 94 N N 1.293 120.039 118.700 0.076 0.000 3.103 94 N HA 0.002 4.742 4.740 -0.000 0.000 0.305 94 N C -0.688 174.884 175.510 0.103 0.000 1.232 94 N CA 0.106 53.247 53.050 0.151 0.000 1.190 94 N CB -0.221 38.391 38.487 0.209 0.000 1.461 94 N HN -0.003 nan 8.380 nan 0.000 0.538 95 T N -2.271 112.349 114.554 0.110 0.000 2.930 95 T HA 0.312 4.662 4.350 -0.000 0.000 0.290 95 T C 1.187 175.937 174.700 0.084 0.000 1.052 95 T CA -0.753 61.394 62.100 0.078 0.000 1.017 95 T CB 1.529 70.434 68.868 0.062 0.000 1.137 95 T HN 0.206 nan 8.240 nan 0.000 0.511 96 E N 0.407 120.636 120.200 0.048 0.000 2.077 96 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 96 E C -1.102 175.512 176.600 0.024 0.000 0.989 96 E CA 1.401 57.819 56.400 0.031 0.000 0.800 96 E CB -1.867 27.843 29.700 0.017 0.000 0.746 96 E HN 0.524 nan 8.360 nan 0.000 0.452 97 P HA -0.142 nan 4.420 nan 0.000 0.217 97 P C 0.979 178.294 177.300 0.024 0.000 1.150 97 P CA 1.799 64.909 63.100 0.016 0.000 0.832 97 P CB -0.155 31.560 31.700 0.025 0.000 0.787 98 H N -0.438 118.619 119.070 -0.022 0.000 2.326 98 H HA -0.015 4.541 4.556 -0.000 0.000 0.301 98 H C 1.844 177.158 175.328 -0.024 0.000 1.081 98 H CA 1.433 57.468 56.048 -0.021 0.000 1.334 98 H CB -0.930 28.829 29.762 -0.004 0.000 1.385 98 H HN -0.043 nan 8.280 nan 0.000 0.504 99 I N 0.052 120.607 120.570 -0.026 0.000 2.226 99 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 99 I C 2.797 178.847 176.117 -0.113 0.000 1.100 99 I CA 1.507 62.764 61.300 -0.072 0.000 1.374 99 I CB -0.342 37.666 38.000 0.014 0.000 1.057 99 I HN 0.258 nan 8.210 nan 0.000 0.413 100 R N 1.125 121.570 120.500 -0.091 0.000 2.081 100 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 100 R C 2.324 178.514 176.300 -0.184 0.000 1.131 100 R CA 1.666 57.697 56.100 -0.113 0.000 0.960 100 R CB -0.556 29.691 30.300 -0.088 0.000 0.856 100 R HN 0.430 nan 8.270 nan 0.000 0.436 101 G N 0.826 109.506 108.800 -0.200 0.000 2.418 101 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 101 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 101 G C 1.189 175.946 174.900 -0.239 0.000 1.158 101 G CA 0.730 45.689 45.100 -0.235 0.000 0.771 101 G HN 0.329 nan 8.290 nan 0.000 0.545 102 N N 0.311 118.855 118.700 -0.259 0.000 2.142 102 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 102 N C 2.370 177.800 175.510 -0.134 0.000 1.023 102 N CA 1.036 53.963 53.050 -0.205 0.000 0.852 102 N CB -0.456 37.893 38.487 -0.229 0.000 0.998 102 N HN 0.190 nan 8.380 nan 0.000 0.424 103 V N 1.609 121.450 119.914 -0.123 0.000 2.295 103 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 103 V C 2.598 178.640 176.094 -0.088 0.000 1.049 103 V CA 1.473 63.726 62.300 -0.079 0.000 1.024 103 V CB -0.443 31.343 31.823 -0.061 0.000 0.648 103 V HN 0.299 nan 8.190 nan 0.000 0.447 104 R N 0.184 120.580 120.500 -0.173 0.000 2.080 104 R HA -0.208 4.131 4.340 -0.000 0.000 0.236 104 R C 2.322 178.535 176.300 -0.144 0.000 1.137 104 R CA 1.917 57.864 56.100 -0.254 0.000 0.943 104 R CB -0.523 29.409 30.300 -0.614 0.000 0.846 104 R HN 0.484 nan 8.270 nan 0.000 0.431 105 A N 0.971 123.698 122.820 -0.155 0.000 1.908 105 A HA -0.180 4.139 4.320 -0.000 0.000 0.218 105 A C 2.080 179.631 177.584 -0.056 0.000 1.181 105 A CA 1.304 53.277 52.037 -0.107 0.000 0.627 105 A CB -0.593 18.337 19.000 -0.116 0.000 0.818 105 A HN 0.389 nan 8.150 nan 0.000 0.445 106 L N -0.417 120.779 121.223 -0.045 0.000 2.056 106 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 106 L C 2.356 179.233 176.870 0.013 0.000 1.078 106 L CA 1.460 56.291 54.840 -0.015 0.000 0.749 106 L CB -0.320 41.731 42.059 -0.013 0.000 0.901 106 L HN 0.413 nan 8.230 nan 0.000 0.433 107 L N -1.304 119.937 121.223 0.030 0.000 2.046 107 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 107 L C 2.601 179.527 176.870 0.093 0.000 1.077 107 L CA 1.274 56.159 54.840 0.074 0.000 0.747 107 L CB -0.553 41.577 42.059 0.120 0.000 0.896 107 L HN 0.369 nan 8.230 nan 0.000 0.432 108 Q N -0.529 119.333 119.800 0.103 0.000 2.061 108 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 108 Q C 2.319 178.324 176.000 0.008 0.000 0.984 108 Q CA 1.681 57.546 55.803 0.105 0.000 0.846 108 Q CB -0.156 28.637 28.738 0.091 0.000 0.902 108 Q HN 0.525 nan 8.270 nan 0.000 0.421 109 M N -0.256 119.328 119.600 -0.027 0.000 2.132 109 M HA -0.137 4.342 4.480 -0.000 0.000 0.263 109 M C 2.349 178.630 176.300 -0.030 0.000 1.065 109 M CA 1.351 56.613 55.300 -0.063 0.000 1.122 109 M CB -0.276 32.302 32.600 -0.036 0.000 1.365 109 M HN 0.232 nan 8.290 nan 0.000 0.411 110 A N -0.396 122.434 122.820 0.017 0.000 1.933 110 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 110 A C 2.286 179.890 177.584 0.034 0.000 1.175 110 A CA 1.752 53.817 52.037 0.046 0.000 0.628 110 A CB -1.033 18.004 19.000 0.060 0.000 0.814 110 A HN 0.343 nan 8.150 nan 0.000 0.444 111 V N -0.349 119.580 119.914 0.025 0.000 2.358 111 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 111 V C 2.396 178.474 176.094 -0.028 0.000 1.047 111 V CA 2.262 64.572 62.300 0.017 0.000 1.035 111 V CB -0.358 31.487 31.823 0.036 0.000 0.658 111 V HN 0.317 nan 8.190 nan 0.000 0.452 112 V N 0.233 120.085 119.914 -0.103 0.000 2.255 112 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 112 V C 2.440 178.466 176.094 -0.113 0.000 1.051 112 V CA 2.584 64.751 62.300 -0.221 0.000 1.018 112 V CB -0.618 30.856 31.823 -0.582 0.000 0.641 112 V HN 0.516 nan 8.190 nan 0.000 0.445 113 L N -0.455 120.712 121.223 -0.094 0.000 2.093 113 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 113 L C 2.632 179.466 176.870 -0.059 0.000 1.085 113 L CA 1.819 56.605 54.840 -0.090 0.000 0.755 113 L CB -0.964 41.081 42.059 -0.024 0.000 0.904 113 L HN 0.368 nan 8.230 nan 0.000 0.435 114 T N -1.225 113.337 114.554 0.013 0.000 2.684 114 T HA -0.287 4.063 4.350 -0.000 0.000 0.267 114 T C 1.694 176.408 174.700 0.023 0.000 1.036 114 T CA 1.698 63.819 62.100 0.035 0.000 1.148 114 T CB -0.427 68.477 68.868 0.061 0.000 0.863 114 T HN 0.322 nan 8.240 nan 0.000 0.436 115 Y N 1.687 121.948 120.300 -0.064 0.000 2.181 115 Y HA -0.008 4.542 4.550 -0.000 0.000 0.288 115 Y C 2.555 178.421 175.900 -0.056 0.000 1.146 115 Y CA 1.347 59.413 58.100 -0.058 0.000 1.164 115 Y CB -0.702 37.710 38.460 -0.079 0.000 0.982 115 Y HN 0.193 nan 8.280 nan 0.000 0.515 116 G N -0.544 108.261 108.800 0.009 0.000 2.408 116 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 116 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 116 G C 1.722 176.541 174.900 -0.134 0.000 1.150 116 G CA 0.719 45.780 45.100 -0.065 0.000 0.776 116 G HN 0.556 nan 8.290 nan 0.000 0.542 117 A N -0.300 122.435 122.820 -0.142 0.000 2.016 117 A HA 0.344 4.664 4.320 -0.000 0.000 0.217 117 A C 1.789 179.333 177.584 -0.067 0.000 1.162 117 A CA 1.428 53.397 52.037 -0.113 0.000 0.662 117 A CB -0.228 18.694 19.000 -0.130 0.000 0.812 117 A HN 0.721 nan 8.150 nan 0.000 0.450 118 S N -1.397 114.240 115.700 -0.105 0.000 3.641 118 S HA -0.175 4.295 4.470 -0.000 0.000 0.346 118 S C -0.044 174.540 174.600 -0.027 0.000 1.074 118 S CA 1.360 59.501 58.200 -0.098 0.000 1.026 118 S CB -2.098 61.033 63.200 -0.114 0.000 0.908 118 S HN 1.258 nan 8.310 nan 0.000 0.479 119 M N -3.165 116.439 119.600 0.007 0.000 2.732 119 M HA 0.686 5.166 4.480 -0.000 0.000 0.272 119 M C -3.426 172.918 176.300 0.072 0.000 1.203 119 M CA -2.288 53.039 55.300 0.045 0.000 0.841 119 M CB 1.160 33.803 32.600 0.071 0.000 1.685 119 M HN -0.220 nan 8.290 nan 0.000 0.492 120 P HA 0.240 nan 4.420 nan 0.000 0.269 120 P C -1.075 176.308 177.300 0.138 0.000 1.209 120 P CA -0.313 62.842 63.100 0.091 0.000 0.776 120 P CB 0.605 32.350 31.700 0.074 0.000 0.876 121 V N 4.005 124.002 119.914 0.138 0.000 2.384 121 V HA 0.168 4.288 4.120 -0.000 0.000 0.287 121 V C 0.166 176.337 176.094 0.128 0.000 1.020 121 V CA -0.710 61.696 62.300 0.177 0.000 0.850 121 V CB 1.855 33.793 31.823 0.191 0.000 0.987 121 V HN 0.231 nan 8.190 nan 0.000 0.436 122 V N 5.825 125.802 119.914 0.104 0.000 2.488 122 V HA 0.285 4.404 4.120 -0.000 0.000 0.277 122 V C 0.286 176.432 176.094 0.086 0.000 1.046 122 V CA -0.532 61.822 62.300 0.091 0.000 0.986 122 V CB 0.939 32.773 31.823 0.017 0.000 0.989 122 V HN 0.795 nan 8.190 nan 0.000 0.475 123 K N 4.207 124.693 120.400 0.142 0.000 2.293 123 K HA 0.641 4.961 4.320 -0.000 0.000 0.267 123 K C -1.235 175.460 176.600 0.159 0.000 1.010 123 K CA -0.479 55.873 56.287 0.107 0.000 0.875 123 K CB 1.878 34.423 32.500 0.076 0.000 1.106 123 K HN 0.462 nan 8.250 nan 0.000 0.450 124 V N 2.555 122.519 119.914 0.082 0.000 2.409 124 V HA 0.410 4.530 4.120 -0.000 0.000 0.290 124 V C -0.192 175.933 176.094 0.051 0.000 1.017 124 V CA -1.013 61.349 62.300 0.103 0.000 0.841 124 V CB 1.397 33.240 31.823 0.033 0.000 1.003 124 V HN 0.877 nan 8.190 nan 0.000 0.426 125 A N 5.044 127.922 122.820 0.097 0.000 2.316 125 A HA 0.663 4.983 4.320 -0.000 0.000 0.284 125 A C 0.340 178.003 177.584 0.132 0.000 1.115 125 A CA -0.607 51.477 52.037 0.079 0.000 0.812 125 A CB 0.385 19.426 19.000 0.069 0.000 1.064 125 A HN 0.844 nan 8.150 nan 0.000 0.489 126 R N 1.051 121.633 120.500 0.135 0.000 2.429 126 R HA 0.517 4.857 4.340 -0.000 0.000 0.302 126 R C -0.804 175.571 176.300 0.126 0.000 1.268 126 R CA 0.407 56.637 56.100 0.217 0.000 1.090 126 R CB -0.237 30.223 30.300 0.267 0.000 1.102 126 R HN 0.669 nan 8.270 nan 0.000 0.522 127 I N -0.481 120.160 120.570 0.119 0.000 3.021 127 I HA 0.314 4.484 4.170 -0.000 0.000 0.305 127 I C -0.800 175.357 176.117 0.066 0.000 1.434 127 I CA -0.410 60.923 61.300 0.054 0.000 0.969 127 I CB 1.863 39.901 38.000 0.064 0.000 1.328 127 I HN 0.619 nan 8.210 nan 0.000 0.486 128 A N 3.568 126.409 122.820 0.034 0.000 2.739 128 A HA 0.106 4.426 4.320 -0.000 0.000 0.296 128 A C 0.887 178.528 177.584 0.094 0.000 1.488 128 A CA 1.514 53.608 52.037 0.095 0.000 0.746 128 A CB -2.249 16.818 19.000 0.112 0.000 1.047 128 A HN 2.256 nan 8.150 nan 0.000 0.477 129 G N -2.150 106.592 108.800 -0.098 0.000 3.658 129 G HA2 0.203 4.163 3.960 -0.000 0.000 0.220 129 G HA3 0.203 4.163 3.960 -0.000 0.000 0.220 129 G C 0.091 174.665 174.900 -0.544 0.000 0.917 129 G CA 0.664 45.590 45.100 -0.290 0.000 0.865 129 G HN 1.335 nan 8.290 nan 0.000 0.652 130 Q N 0.942 120.443 119.800 -0.498 0.000 3.184 130 Q HA 0.519 4.859 4.340 -0.000 0.000 0.288 130 Q C 0.006 175.753 176.000 -0.422 0.000 1.412 130 Q CA -0.275 55.342 55.803 -0.310 0.000 0.991 130 Q CB -0.859 27.827 28.738 -0.087 0.000 1.688 130 Q HN 0.625 nan 8.270 nan 0.000 0.554 131 Y N -0.508 119.695 120.300 -0.162 0.000 2.557 131 Y HA 0.577 5.127 4.550 -0.000 0.000 0.247 131 Y C 0.258 176.021 175.900 -0.229 0.000 1.164 131 Y CA -0.352 57.637 58.100 -0.185 0.000 1.218 131 Y CB 1.133 39.492 38.460 -0.168 0.000 1.210 131 Y HN 0.393 nan 8.280 nan 0.000 0.529 132 A N 1.508 124.273 122.820 -0.092 0.000 2.422 132 A HA 0.742 5.061 4.320 -0.000 0.000 0.302 132 A C -1.091 176.411 177.584 -0.137 0.000 1.041 132 A CA -0.810 51.142 52.037 -0.143 0.000 0.708 132 A CB 1.390 20.316 19.000 -0.123 0.000 1.257 132 A HN 0.214 nan 8.150 nan 0.000 0.414 133 K N 1.980 122.277 120.400 -0.171 0.000 2.477 133 K HA 0.778 5.098 4.320 -0.000 0.000 0.255 133 K C -3.199 173.329 176.600 -0.121 0.000 0.952 133 K CA -1.882 54.334 56.287 -0.119 0.000 0.826 133 K CB 2.810 35.255 32.500 -0.092 0.000 1.331 133 K HN 0.388 nan 8.250 nan 0.000 0.437 134 P HA 0.246 nan 4.420 nan 0.000 0.277 134 P C -1.044 176.227 177.300 -0.049 0.000 1.240 134 P CA -0.600 62.455 63.100 -0.076 0.000 0.798 134 P CB 0.762 32.418 31.700 -0.073 0.000 0.979 135 R N 0.716 121.192 120.500 -0.039 0.000 2.628 135 R HA 0.248 4.588 4.340 -0.000 0.000 0.288 135 R C 1.338 177.634 176.300 -0.007 0.000 0.980 135 R CA -0.550 55.541 56.100 -0.013 0.000 0.891 135 R CB 1.561 31.857 30.300 -0.007 0.000 1.188 135 R HN 0.590 nan 8.270 nan 0.000 0.450 136 S N 0.623 116.325 115.700 0.004 0.000 2.406 136 S HA 0.048 4.518 4.470 -0.000 0.000 0.228 136 S C 0.852 175.456 174.600 0.006 0.000 1.020 136 S CA 0.614 58.817 58.200 0.005 0.000 0.965 136 S CB 0.232 63.440 63.200 0.012 0.000 0.798 136 S HN 0.637 nan 8.310 nan 0.000 0.488 137 A N 0.677 123.503 122.820 0.010 0.000 2.342 137 A HA 0.639 4.959 4.320 -0.000 0.000 0.323 137 A C 0.167 177.758 177.584 0.012 0.000 1.125 137 A CA -0.440 51.603 52.037 0.010 0.000 0.785 137 A CB 1.296 20.303 19.000 0.012 0.000 1.221 137 A HN 0.138 nan 8.150 nan 0.000 0.463 138 D N 0.687 121.092 120.400 0.009 0.000 2.323 138 D HA 0.044 4.684 4.640 -0.000 0.000 0.209 138 D C 0.226 176.535 176.300 0.015 0.000 0.973 138 D CA 0.949 54.957 54.000 0.013 0.000 0.874 138 D CB 0.096 40.896 40.800 -0.000 0.000 0.930 138 D HN 0.373 nan 8.370 nan 0.000 0.521 139 I N 1.981 122.557 120.570 0.010 0.000 2.406 139 I HA 0.195 4.365 4.170 -0.000 0.000 0.290 139 I C 0.175 176.299 176.117 0.011 0.000 0.999 139 I CA -0.869 60.435 61.300 0.008 0.000 1.124 139 I CB 1.278 39.278 38.000 0.000 0.000 1.289 139 I HN -0.036 nan 8.210 nan 0.000 0.441 140 D N 5.446 125.854 120.400 0.013 0.000 2.469 140 D HA 0.296 4.936 4.640 -0.000 0.000 0.278 140 D C 1.013 177.315 176.300 0.003 0.000 1.231 140 D CA -0.483 53.525 54.000 0.014 0.000 1.075 140 D CB 0.665 41.477 40.800 0.020 0.000 1.121 140 D HN 0.438 nan 8.370 nan 0.000 0.571 141 A N -0.925 121.897 122.820 0.002 0.000 2.121 141 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 141 A C 2.096 179.673 177.584 -0.012 0.000 1.154 141 A CA 0.623 52.658 52.037 -0.003 0.000 0.679 141 A CB -0.774 18.226 19.000 0.000 0.000 0.795 141 A HN 0.510 nan 8.150 nan 0.000 0.458 142 L N -1.437 119.774 121.223 -0.020 0.000 2.592 142 L HA 0.220 4.560 4.340 -0.000 0.000 0.227 142 L C 1.614 178.470 176.870 -0.024 0.000 1.127 142 L CA 0.503 55.326 54.840 -0.029 0.000 0.884 142 L CB -0.077 41.952 42.059 -0.050 0.000 1.065 142 L HN 0.541 nan 8.230 nan 0.000 0.457 143 G N 0.532 109.322 108.800 -0.016 0.000 2.159 143 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.256 143 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.256 143 G C 0.127 175.019 174.900 -0.013 0.000 0.977 143 G CA -0.040 45.053 45.100 -0.013 0.000 0.652 143 G HN 0.234 nan 8.290 nan 0.000 0.531 144 L N -0.004 121.210 121.223 -0.015 0.000 2.375 144 L HA 0.567 4.906 4.340 -0.000 0.000 0.268 144 L C 1.383 178.257 176.870 0.006 0.000 1.058 144 L CA -1.211 53.622 54.840 -0.011 0.000 0.803 144 L CB 0.823 42.866 42.059 -0.026 0.000 1.212 144 L HN 0.060 nan 8.230 nan 0.000 0.451 145 R N 0.731 121.240 120.500 0.016 0.000 2.570 145 R HA 0.090 4.430 4.340 -0.000 0.000 0.277 145 R C -0.223 176.120 176.300 0.071 0.000 1.039 145 R CA -0.201 55.922 56.100 0.038 0.000 1.065 145 R CB 0.372 30.696 30.300 0.041 0.000 0.964 145 R HN 0.573 nan 8.270 nan 0.000 0.428 146 S N 2.419 118.166 115.700 0.079 0.000 2.562 146 S HA -0.065 4.405 4.470 -0.000 0.000 0.281 146 S C -0.326 174.358 174.600 0.141 0.000 1.333 146 S CA -0.376 57.880 58.200 0.093 0.000 1.052 146 S CB 0.274 63.511 63.200 0.063 0.000 0.884 146 S HN 0.454 nan 8.310 nan 0.000 0.506 147 Y N 2.860 123.171 120.300 0.019 0.000 2.569 147 Y HA 0.098 4.648 4.550 -0.000 0.000 0.332 147 Y C 1.108 177.015 175.900 0.011 0.000 1.120 147 Y CA 0.093 58.210 58.100 0.028 0.000 1.416 147 Y CB 0.209 38.720 38.460 0.085 0.000 1.210 147 Y HN 0.613 nan 8.280 nan 0.000 0.528 148 R N 4.471 124.710 120.500 -0.436 0.000 2.546 148 R HA 0.296 4.636 4.340 -0.000 0.000 0.320 148 R C 0.061 175.986 176.300 -0.626 0.000 1.021 148 R CA 0.261 56.086 56.100 -0.458 0.000 1.088 148 R CB 0.433 30.525 30.300 -0.346 0.000 1.278 148 R HN 0.999 nan 8.270 nan 0.000 0.557 149 G N 0.777 108.843 108.800 -1.224 0.000 2.690 149 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.686 149 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.686 149 G C -0.403 174.259 174.900 -0.397 0.000 1.277 149 G CA -0.708 43.920 45.100 -0.788 0.000 0.799 149 G HN 0.157 nan 8.290 nan 0.000 0.613 150 D N 0.070 120.326 120.400 -0.241 0.000 2.350 150 D HA -0.039 4.601 4.640 -0.000 0.000 0.216 150 D C 2.358 178.437 176.300 -0.369 0.000 0.968 150 D CA 1.089 54.820 54.000 -0.449 0.000 0.894 150 D CB 0.020 40.075 40.800 -1.242 0.000 0.909 150 D HN 0.465 nan 8.370 nan 0.000 0.520 151 M N -0.448 119.051 119.600 -0.167 0.000 2.557 151 M HA 0.004 4.484 4.480 -0.000 0.000 0.259 151 M C 1.039 177.409 176.300 0.117 0.000 1.086 151 M CA 0.988 56.287 55.300 -0.001 0.000 1.096 151 M CB 0.311 32.879 32.600 -0.054 0.000 1.424 151 M HN -0.027 nan 8.290 nan 0.000 0.488 152 I N -0.776 119.793 120.570 -0.002 0.000 3.518 152 I HA 0.090 4.260 4.170 -0.000 0.000 0.260 152 I C 0.231 176.353 176.117 0.010 0.000 1.148 152 I CA -0.151 61.121 61.300 -0.046 0.000 1.440 152 I CB 0.281 38.037 38.000 -0.407 0.000 1.485 152 I HN 0.293 nan 8.210 nan 0.000 0.456 153 N N 0.559 119.249 118.700 -0.016 0.000 3.204 153 N HA 0.343 5.083 4.740 -0.000 0.000 0.285 153 N C -0.591 175.054 175.510 0.224 0.000 1.536 153 N CA -0.456 52.664 53.050 0.117 0.000 0.832 153 N CB 0.584 39.154 38.487 0.138 0.000 1.645 153 N HN -0.013 nan 8.380 nan 0.000 0.586 154 G N -1.262 107.670 108.800 0.221 0.000 2.389 154 G HA2 0.395 4.355 3.960 -0.000 0.000 0.317 154 G HA3 0.395 4.355 3.960 -0.000 0.000 0.317 154 G C -0.456 174.497 174.900 0.087 0.000 1.137 154 G CA -0.716 44.491 45.100 0.178 0.000 0.870 154 G HN 0.489 nan 8.290 nan 0.000 0.496 155 F N 2.533 122.240 119.950 -0.406 0.000 2.407 155 F HA 0.281 4.808 4.527 -0.000 0.000 0.299 155 F C 1.868 177.459 175.800 -0.349 0.000 1.097 155 F CA 0.308 57.812 58.000 -0.827 0.000 1.422 155 F CB 0.030 38.465 39.000 -0.942 0.000 1.067 155 F HN 0.488 nan 8.300 nan 0.000 0.539 156 A N 2.557 125.238 122.820 -0.231 0.000 2.546 156 A HA 0.129 4.449 4.320 -0.000 0.000 0.243 156 A C -2.007 175.407 177.584 -0.283 0.000 1.063 156 A CA -0.738 51.161 52.037 -0.231 0.000 0.757 156 A CB -0.861 18.093 19.000 -0.077 0.000 0.991 156 A HN 0.250 nan 8.150 nan 0.000 0.503 157 P HA 0.169 nan 4.420 nan 0.000 0.230 157 P C -1.209 176.017 177.300 -0.124 0.000 1.791 157 P CA 0.229 63.191 63.100 -0.230 0.000 1.020 157 P CB -0.703 30.858 31.700 -0.231 0.000 1.977 158 D N -1.147 119.198 120.400 -0.092 0.000 2.661 158 D HA 0.470 5.110 4.640 -0.000 0.000 0.228 158 D C 0.899 177.183 176.300 -0.026 0.000 1.210 158 D CA -1.041 52.929 54.000 -0.050 0.000 0.826 158 D CB 0.845 41.622 40.800 -0.037 0.000 1.542 158 D HN -0.143 nan 8.370 nan 0.000 0.447 159 A N 1.527 124.339 122.820 -0.014 0.000 1.902 159 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 159 A C 2.244 179.838 177.584 0.017 0.000 1.181 159 A CA 2.111 54.149 52.037 0.001 0.000 0.623 159 A CB -1.321 17.678 19.000 -0.002 0.000 0.818 159 A HN 0.798 nan 8.150 nan 0.000 0.443 160 A N -0.168 122.661 122.820 0.015 0.000 1.908 160 A HA 0.116 4.436 4.320 -0.000 0.000 0.218 160 A C 2.461 180.072 177.584 0.045 0.000 1.181 160 A CA 2.186 54.239 52.037 0.028 0.000 0.627 160 A CB -0.962 18.050 19.000 0.020 0.000 0.818 160 A HN 1.127 nan 8.150 nan 0.000 0.445 161 A N -1.138 121.703 122.820 0.035 0.000 2.066 161 A HA -0.049 4.270 4.320 -0.000 0.000 0.218 161 A C 2.031 179.665 177.584 0.084 0.000 1.157 161 A CA 1.011 53.078 52.037 0.049 0.000 0.670 161 A CB -0.270 18.739 19.000 0.016 0.000 0.804 161 A HN 0.348 nan 8.150 nan 0.000 0.453 162 R N 0.557 121.105 120.500 0.081 0.000 2.297 162 R HA 0.113 4.453 4.340 -0.000 0.000 0.197 162 R C -0.239 176.177 176.300 0.192 0.000 0.943 162 R CA 0.073 56.250 56.100 0.129 0.000 1.038 162 R CB -0.188 30.165 30.300 0.088 0.000 0.957 162 R HN 0.481 nan 8.270 nan 0.000 0.484 163 E N 1.282 121.574 120.200 0.153 0.000 2.392 163 E HA 0.000 4.350 4.350 -0.000 0.000 0.264 163 E C -0.218 176.570 176.600 0.313 0.000 1.024 163 E CA 0.196 56.699 56.400 0.172 0.000 0.903 163 E CB 0.442 30.205 29.700 0.106 0.000 0.963 163 E HN 0.284 nan 8.360 nan 0.000 0.432 164 H N 1.796 120.937 119.070 0.118 0.000 2.899 164 H HA 0.048 4.603 4.556 -0.000 0.000 0.303 164 H C -0.268 175.298 175.328 0.398 0.000 1.042 164 H CA -0.228 55.943 56.048 0.205 0.000 1.479 164 H CB 0.716 30.503 29.762 0.042 0.000 1.493 164 H HN 0.208 nan 8.280 nan 0.000 0.534 165 D N 5.674 126.404 120.400 0.549 0.000 2.462 165 D HA 0.115 4.755 4.640 -0.000 0.000 0.245 165 D C -1.845 174.532 176.300 0.128 0.000 1.122 165 D CA -2.627 51.559 54.000 0.308 0.000 0.864 165 D CB 1.726 42.640 40.800 0.189 0.000 1.098 165 D HN 0.255 nan 8.370 nan 0.000 0.541 166 P HA -0.113 nan 4.420 nan 0.000 0.226 166 P C 1.261 178.250 177.300 -0.518 0.000 1.153 166 P CA 0.624 63.077 63.100 -1.078 0.000 0.777 166 P CB 0.099 31.129 31.700 -1.116 0.000 0.794 167 S N 0.253 115.814 115.700 -0.231 0.000 2.442 167 S HA -0.135 4.335 4.470 -0.000 0.000 0.236 167 S C 1.991 176.553 174.600 -0.064 0.000 1.007 167 S CA 0.612 58.739 58.200 -0.123 0.000 0.965 167 S CB -1.004 62.161 63.200 -0.058 0.000 0.773 167 S HN 0.112 nan 8.310 nan 0.000 0.504 168 R N 0.547 121.038 120.500 -0.014 0.000 2.237 168 R HA 0.174 4.514 4.340 -0.000 0.000 0.219 168 R C 2.023 178.367 176.300 0.074 0.000 1.080 168 R CA 1.010 57.172 56.100 0.103 0.000 0.995 168 R CB -0.595 29.823 30.300 0.196 0.000 0.875 168 R HN 0.456 nan 8.270 nan 0.000 0.462 169 L N -0.284 120.936 121.223 -0.006 0.000 2.046 169 L HA -0.184 4.155 4.340 -0.000 0.000 0.208 169 L C 2.210 179.159 176.870 0.132 0.000 1.077 169 L CA 1.109 55.998 54.840 0.082 0.000 0.747 169 L CB -0.390 41.695 42.059 0.042 0.000 0.896 169 L HN 0.017 nan 8.230 nan 0.000 0.432 170 V N -0.513 119.426 119.914 0.042 0.000 2.407 170 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 170 V C 2.572 178.682 176.094 0.027 0.000 1.041 170 V CA 1.427 63.765 62.300 0.064 0.000 1.040 170 V CB -0.487 31.335 31.823 -0.001 0.000 0.671 170 V HN 0.347 nan 8.190 nan 0.000 0.455 171 R N 0.374 120.816 120.500 -0.097 0.000 2.105 171 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 171 R C 2.408 178.365 176.300 -0.572 0.000 1.135 171 R CA 1.565 57.452 56.100 -0.356 0.000 0.967 171 R CB -0.645 29.424 30.300 -0.385 0.000 0.861 171 R HN 0.537 nan 8.270 nan 0.000 0.442 172 A N 0.214 122.869 122.820 -0.274 0.000 1.877 172 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 172 A C 2.014 179.544 177.584 -0.090 0.000 1.186 172 A CA 1.424 53.292 52.037 -0.282 0.000 0.620 172 A CB -0.824 18.037 19.000 -0.231 0.000 0.822 172 A HN 0.500 nan 8.150 nan 0.000 0.443 173 Y N 0.775 121.113 120.300 0.064 0.000 2.128 173 Y HA -0.128 4.422 4.550 -0.000 0.000 0.284 173 Y C 2.595 178.508 175.900 0.021 0.000 1.154 173 Y CA 1.400 59.597 58.100 0.161 0.000 1.149 173 Y CB -0.632 37.928 38.460 0.167 0.000 0.976 173 Y HN 0.301 nan 8.280 nan 0.000 0.505 174 A N 0.751 123.423 122.820 -0.247 0.000 1.902 174 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 174 A C 2.174 179.559 177.584 -0.331 0.000 1.181 174 A CA 1.933 53.770 52.037 -0.332 0.000 0.623 174 A CB -0.873 18.017 19.000 -0.183 0.000 0.818 174 A HN 0.664 nan 8.150 nan 0.000 0.443 175 N N 0.134 118.631 118.700 -0.338 0.000 2.142 175 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 175 N C 2.012 177.509 175.510 -0.023 0.000 1.023 175 N CA 1.369 54.289 53.050 -0.217 0.000 0.852 175 N CB -0.348 37.910 38.487 -0.382 0.000 0.998 175 N HN 0.478 nan 8.380 nan 0.000 0.424 176 A N 1.255 124.080 122.820 0.009 0.000 1.877 176 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 176 A C 2.471 180.023 177.584 -0.053 0.000 1.186 176 A CA 2.188 54.277 52.037 0.087 0.000 0.620 176 A CB -0.820 18.283 19.000 0.172 0.000 0.822 176 A HN 0.465 nan 8.150 nan 0.000 0.443 177 S N 0.086 115.626 115.700 -0.267 0.000 2.402 177 S HA 0.082 4.552 4.470 -0.000 0.000 0.229 177 S C 2.076 176.592 174.600 -0.140 0.000 1.021 177 S CA 1.287 59.334 58.200 -0.255 0.000 0.974 177 S CB -0.618 62.269 63.200 -0.522 0.000 0.800 177 S HN 0.877 nan 8.310 nan 0.000 0.484 178 A N 2.142 124.878 122.820 -0.140 0.000 1.898 178 A HA 0.341 4.661 4.320 -0.000 0.000 0.216 178 A C 2.549 180.119 177.584 -0.022 0.000 1.181 178 A CA 1.671 53.664 52.037 -0.072 0.000 0.620 178 A CB -1.468 17.487 19.000 -0.075 0.000 0.819 178 A HN 0.858 nan 8.150 nan 0.000 0.442 179 A N -1.154 121.669 122.820 0.005 0.000 1.898 179 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 179 A C 2.168 179.770 177.584 0.030 0.000 1.181 179 A CA 2.166 54.226 52.037 0.039 0.000 0.620 179 A CB -0.464 18.584 19.000 0.081 0.000 0.819 179 A HN 0.507 nan 8.150 nan 0.000 0.442 180 M N 0.381 119.996 119.600 0.026 0.000 2.132 180 M HA -0.110 4.369 4.480 -0.000 0.000 0.263 180 M C 1.737 178.051 176.300 0.023 0.000 1.065 180 M CA 2.010 57.331 55.300 0.035 0.000 1.122 180 M CB -0.762 31.861 32.600 0.039 0.000 1.365 180 M HN 0.529 nan 8.290 nan 0.000 0.411 181 N N -0.142 118.562 118.700 0.006 0.000 2.061 181 N HA -0.205 4.535 4.740 -0.000 0.000 0.193 181 N C 1.535 177.049 175.510 0.007 0.000 1.030 181 N CA 1.843 54.895 53.050 0.005 0.000 0.856 181 N CB -0.392 38.091 38.487 -0.007 0.000 1.023 181 N HN 0.390 nan 8.380 nan 0.000 0.424 182 L N -0.041 121.186 121.223 0.008 0.000 2.056 182 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 182 L C 2.091 178.966 176.870 0.008 0.000 1.078 182 L CA 1.198 56.043 54.840 0.008 0.000 0.749 182 L CB -0.692 41.373 42.059 0.010 0.000 0.901 182 L HN 0.072 nan 8.230 nan 0.000 0.433 183 V N 0.099 120.020 119.914 0.012 0.000 2.332 183 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 183 V C 2.738 178.834 176.094 0.003 0.000 1.055 183 V CA 2.243 64.548 62.300 0.008 0.000 1.038 183 V CB -0.682 31.154 31.823 0.022 0.000 0.651 183 V HN 0.477 nan 8.190 nan 0.000 0.450 184 R N -0.017 120.488 120.500 0.008 0.000 2.081 184 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 184 R C 2.458 178.759 176.300 0.000 0.000 1.131 184 R CA 1.434 57.535 56.100 0.001 0.000 0.960 184 R CB -0.631 29.676 30.300 0.011 0.000 0.856 184 R HN 0.536 nan 8.270 nan 0.000 0.436 185 A N 1.307 124.131 122.820 0.005 0.000 1.902 185 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 185 A C 2.183 179.773 177.584 0.009 0.000 1.181 185 A CA 1.226 53.267 52.037 0.007 0.000 0.623 185 A CB -0.535 18.470 19.000 0.008 0.000 0.818 185 A HN 0.173 nan 8.150 nan 0.000 0.443 186 L N -0.201 121.027 121.223 0.008 0.000 2.093 186 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 186 L C 2.886 179.766 176.870 0.017 0.000 1.085 186 L CA 1.732 56.580 54.840 0.013 0.000 0.755 186 L CB -0.771 41.291 42.059 0.005 0.000 0.904 186 L HN 0.639 nan 8.230 nan 0.000 0.435 187 T N -4.114 110.442 114.554 0.004 0.000 3.055 187 T HA -0.061 4.289 4.350 -0.000 0.000 0.265 187 T C 1.604 176.304 174.700 -0.000 0.000 1.111 187 T CA 0.890 62.989 62.100 -0.001 0.000 1.118 187 T CB -0.236 68.615 68.868 -0.028 0.000 0.909 187 T HN 0.368 nan 8.240 nan 0.000 0.501 188 S N 1.052 116.753 115.700 0.002 0.000 2.557 188 S HA 0.307 4.777 4.470 -0.000 0.000 0.223 188 S C 0.857 175.465 174.600 0.013 0.000 0.969 188 S CA -0.396 57.807 58.200 0.004 0.000 0.927 188 S CB -0.285 62.915 63.200 0.000 0.000 0.806 188 S HN 0.674 nan 8.310 nan 0.000 0.489 189 S N 0.393 116.105 115.700 0.021 0.000 2.672 189 S HA 0.654 5.124 4.470 -0.000 0.000 0.276 189 S C 1.410 176.029 174.600 0.032 0.000 1.207 189 S CA -0.166 58.050 58.200 0.027 0.000 1.002 189 S CB 0.855 64.074 63.200 0.033 0.000 0.998 189 S HN 0.241 nan 8.310 nan 0.000 0.542 190 G N 0.145 108.963 108.800 0.030 0.000 2.470 190 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.220 190 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.220 190 G C 0.992 175.900 174.900 0.013 0.000 1.121 190 G CA 0.513 45.627 45.100 0.023 0.000 0.766 190 G HN 0.580 nan 8.290 nan 0.000 0.553 191 L N 0.878 122.133 121.223 0.053 0.000 2.275 191 L HA 0.166 4.506 4.340 -0.000 0.000 0.215 191 L C 2.978 179.937 176.870 0.147 0.000 1.119 191 L CA 1.258 56.168 54.840 0.117 0.000 0.790 191 L CB -0.249 41.942 42.059 0.220 0.000 0.919 191 L HN 0.236 nan 8.230 nan 0.000 0.443 192 A N -1.473 121.404 122.820 0.094 0.000 2.209 192 A HA -0.015 4.305 4.320 -0.000 0.000 0.212 192 A C 1.474 179.080 177.584 0.037 0.000 1.158 192 A CA 0.447 52.535 52.037 0.085 0.000 0.742 192 A CB -0.515 18.518 19.000 0.055 0.000 0.790 192 A HN 0.301 nan 8.150 nan 0.000 0.472 193 S N -0.300 115.392 115.700 -0.013 0.000 2.558 193 S HA 0.159 4.629 4.470 -0.000 0.000 0.293 193 S C 1.237 175.796 174.600 -0.069 0.000 1.292 193 S CA -0.330 57.850 58.200 -0.032 0.000 1.063 193 S CB 0.006 63.169 63.200 -0.063 0.000 0.831 193 S HN 0.398 nan 8.310 nan 0.000 0.499 194 L N 4.286 125.519 121.223 0.017 0.000 2.079 194 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 194 L C 2.656 179.535 176.870 0.016 0.000 1.081 194 L CA 1.834 56.693 54.840 0.031 0.000 0.752 194 L CB -0.794 41.300 42.059 0.059 0.000 0.896 194 L HN 0.906 nan 8.230 nan 0.000 0.433 195 H N -0.081 118.964 119.070 -0.042 0.000 2.395 195 H HA -0.068 4.487 4.556 -0.000 0.000 0.299 195 H C 2.114 177.353 175.328 -0.149 0.000 1.070 195 H CA 1.028 57.045 56.048 -0.052 0.000 1.356 195 H CB -0.346 29.390 29.762 -0.042 0.000 1.401 195 H HN 0.334 nan 8.280 nan 0.000 0.524 196 L N 0.813 121.514 121.223 -0.870 0.000 2.093 196 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 196 L C 2.947 179.158 176.870 -1.099 0.000 1.085 196 L CA 0.742 55.039 54.840 -0.904 0.000 0.755 196 L CB -0.309 41.282 42.059 -0.780 0.000 0.904 196 L HN 0.100 nan 8.230 nan 0.000 0.435 197 V N -0.501 119.022 119.914 -0.652 0.000 2.343 197 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 197 V C 2.398 178.447 176.094 -0.075 0.000 1.051 197 V CA 2.151 64.278 62.300 -0.289 0.000 1.036 197 V CB -0.721 31.177 31.823 0.125 0.000 0.654 197 V HN 0.495 nan 8.190 nan 0.000 0.451 198 H N 0.001 118.980 119.070 -0.152 0.000 2.529 198 H HA -0.052 4.504 4.556 -0.000 0.000 0.277 198 H C 1.905 177.204 175.328 -0.049 0.000 0.999 198 H CA 1.014 57.044 56.048 -0.031 0.000 1.256 198 H CB -0.092 29.665 29.762 -0.008 0.000 1.402 198 H HN 0.391 nan 8.280 nan 0.000 0.566 199 D N -0.079 120.168 120.400 -0.255 0.000 2.182 199 D HA -0.208 4.432 4.640 -0.000 0.000 0.201 199 D C 1.611 177.805 176.300 -0.178 0.000 0.986 199 D CA 0.801 54.637 54.000 -0.273 0.000 0.847 199 D CB -0.303 40.277 40.800 -0.366 0.000 0.942 199 D HN 0.536 nan 8.370 nan 0.000 0.467 200 W N 1.473 122.753 121.300 -0.033 0.000 2.381 200 W HA -0.039 4.621 4.660 -0.000 0.000 0.301 200 W C 1.999 178.532 176.519 0.023 0.000 1.205 200 W CA 0.256 57.599 57.345 -0.003 0.000 1.285 200 W CB -1.143 28.315 29.460 -0.003 0.000 1.133 200 W HN 0.036 nan 8.180 nan 0.000 0.521 201 N N 0.346 119.146 118.700 0.166 0.000 2.166 201 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 201 N C 1.773 177.371 175.510 0.146 0.000 1.019 201 N CA 1.191 54.345 53.050 0.173 0.000 0.856 201 N CB -0.586 37.935 38.487 0.057 0.000 0.993 201 N HN 0.249 nan 8.380 nan 0.000 0.426 202 R N 0.450 120.896 120.500 -0.090 0.000 2.115 202 R HA -0.050 4.290 4.340 -0.000 0.000 0.226 202 R C 1.840 178.152 176.300 0.020 0.000 1.100 202 R CA 0.749 56.817 56.100 -0.054 0.000 0.980 202 R CB -0.078 30.157 30.300 -0.110 0.000 0.875 202 R HN 0.183 nan 8.270 nan 0.000 0.445 203 E N 0.937 121.180 120.200 0.072 0.000 2.077 203 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 203 E C 1.560 178.224 176.600 0.106 0.000 0.989 203 E CA 1.153 57.608 56.400 0.092 0.000 0.800 203 E CB -0.303 29.487 29.700 0.149 0.000 0.746 203 E HN 0.268 nan 8.360 nan 0.000 0.452 204 F N 0.075 120.051 119.950 0.042 0.000 2.095 204 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 204 F C 1.959 177.759 175.800 -0.001 0.000 1.104 204 F CA 1.466 59.483 58.000 0.029 0.000 1.232 204 F CB -0.658 38.374 39.000 0.053 0.000 0.987 204 F HN -0.052 nan 8.300 nan 0.000 0.475 205 V N 1.136 120.814 119.914 -0.393 0.000 2.407 205 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 205 V C 2.647 178.560 176.094 -0.301 0.000 1.055 205 V CA 2.182 64.200 62.300 -0.470 0.000 1.049 205 V CB -0.664 31.044 31.823 -0.191 0.000 0.662 205 V HN 0.338 nan 8.190 nan 0.000 0.455 206 R N -0.145 120.253 120.500 -0.170 0.000 2.115 206 R HA -0.106 4.234 4.340 -0.000 0.000 0.226 206 R C 2.298 178.529 176.300 -0.114 0.000 1.100 206 R CA 1.877 57.911 56.100 -0.110 0.000 0.980 206 R CB -0.244 30.025 30.300 -0.052 0.000 0.875 206 R HN 0.731 nan 8.270 nan 0.000 0.445 207 T N -3.635 110.843 114.554 -0.126 0.000 2.990 207 T HA 0.099 4.449 4.350 -0.000 0.000 0.249 207 T C 0.909 175.540 174.700 -0.116 0.000 1.039 207 T CA -0.259 61.790 62.100 -0.085 0.000 1.036 207 T CB 0.363 69.218 68.868 -0.022 0.000 0.994 207 T HN -0.055 nan 8.240 nan 0.000 0.489 208 S N 2.643 118.201 115.700 -0.237 0.000 2.562 208 S HA 0.278 4.747 4.470 -0.000 0.000 0.281 208 S C -1.439 173.058 174.600 -0.171 0.000 1.333 208 S CA -1.158 56.903 58.200 -0.231 0.000 1.052 208 S CB 0.947 63.833 63.200 -0.523 0.000 0.884 208 S HN 0.155 nan 8.310 nan 0.000 0.506 209 P HA 0.151 nan 4.420 nan 0.000 0.225 209 P C 0.550 177.791 177.300 -0.098 0.000 1.156 209 P CA 0.656 63.704 63.100 -0.086 0.000 0.787 209 P CB 0.033 31.699 31.700 -0.056 0.000 0.802 210 A N -0.342 122.423 122.820 -0.090 0.000 2.275 210 A HA 0.339 4.659 4.320 -0.000 0.000 0.212 210 A C 2.210 179.705 177.584 -0.149 0.000 1.201 210 A CA 0.622 52.609 52.037 -0.082 0.000 0.843 210 A CB -1.364 17.663 19.000 0.045 0.000 0.873 210 A HN 0.211 nan 8.150 nan 0.000 0.492 211 G N 0.494 109.164 108.800 -0.217 0.000 2.505 211 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.220 211 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.220 211 G C 1.664 176.422 174.900 -0.238 0.000 1.145 211 G CA 1.278 46.206 45.100 -0.288 0.000 0.761 211 G HN 0.782 nan 8.290 nan 0.000 0.571 212 A N 0.536 123.227 122.820 -0.214 0.000 2.024 212 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 212 A C 2.300 179.730 177.584 -0.257 0.000 1.164 212 A CA 2.129 54.052 52.037 -0.190 0.000 0.643 212 A CB -0.360 18.552 19.000 -0.148 0.000 0.806 212 A HN 0.347 nan 8.150 nan 0.000 0.451 213 R N -1.531 118.709 120.500 -0.433 0.000 2.189 213 R HA -0.064 4.276 4.340 -0.000 0.000 0.218 213 R C 0.671 176.547 176.300 -0.706 0.000 1.074 213 R CA 1.521 57.234 56.100 -0.645 0.000 0.991 213 R CB -0.464 29.252 30.300 -0.974 0.000 0.883 213 R HN 0.595 nan 8.270 nan 0.000 0.457 214 Y N -1.149 119.028 120.300 -0.206 0.000 2.453 214 Y HA 0.347 4.897 4.550 -0.000 0.000 0.247 214 Y C 1.636 177.390 175.900 -0.244 0.000 1.124 214 Y CA -0.368 57.531 58.100 -0.335 0.000 1.243 214 Y CB 0.039 38.023 38.460 -0.794 0.000 1.213 214 Y HN 0.143 nan 8.280 nan 0.000 0.523 215 E N 1.211 121.366 120.200 -0.075 0.000 2.077 215 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 215 E C 2.323 178.941 176.600 0.030 0.000 0.989 215 E CA 1.251 57.632 56.400 -0.032 0.000 0.800 215 E CB 0.036 29.699 29.700 -0.062 0.000 0.746 215 E HN 0.408 nan 8.360 nan 0.000 0.452 216 A N 0.972 123.807 122.820 0.024 0.000 1.908 216 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 216 A C 2.117 179.759 177.584 0.096 0.000 1.181 216 A CA 1.405 53.470 52.037 0.047 0.000 0.627 216 A CB -0.647 18.373 19.000 0.034 0.000 0.818 216 A HN 0.379 nan 8.150 nan 0.000 0.445 217 L N -0.493 120.828 121.223 0.164 0.000 2.072 217 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 217 L C 2.685 179.716 176.870 0.269 0.000 1.079 217 L CA 2.019 57.005 54.840 0.244 0.000 0.752 217 L CB -0.958 41.351 42.059 0.417 0.000 0.906 217 L HN 0.342 nan 8.230 nan 0.000 0.436 218 A N -1.730 121.327 122.820 0.395 0.000 1.933 218 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 218 A C 2.237 180.007 177.584 0.310 0.000 1.175 218 A CA 2.189 54.509 52.037 0.472 0.000 0.628 218 A CB -1.056 18.171 19.000 0.378 0.000 0.814 218 A HN 0.490 nan 8.150 nan 0.000 0.444 219 T N -0.737 113.911 114.554 0.156 0.000 2.777 219 T HA -0.107 4.242 4.350 -0.000 0.000 0.266 219 T C 1.847 176.559 174.700 0.020 0.000 1.040 219 T CA 1.389 63.542 62.100 0.088 0.000 1.141 219 T CB -0.158 68.742 68.868 0.052 0.000 0.868 219 T HN 0.676 nan 8.240 nan 0.000 0.444 220 E N 0.525 120.711 120.200 -0.023 0.000 2.077 220 E HA -0.105 4.244 4.350 -0.000 0.000 0.193 220 E C 2.112 178.493 176.600 -0.365 0.000 0.989 220 E CA 0.942 57.275 56.400 -0.112 0.000 0.800 220 E CB -0.199 29.472 29.700 -0.048 0.000 0.746 220 E HN 0.471 nan 8.360 nan 0.000 0.452 221 I N 1.042 121.274 120.570 -0.564 0.000 2.208 221 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 221 I C 2.293 178.142 176.117 -0.447 0.000 1.097 221 I CA 1.489 62.301 61.300 -0.814 0.000 1.363 221 I CB -0.268 37.233 38.000 -0.833 0.000 1.051 221 I HN 0.173 nan 8.210 nan 0.000 0.413 222 D N 0.830 121.128 120.400 -0.170 0.000 2.117 222 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 222 D C 2.326 178.630 176.300 0.007 0.000 0.987 222 D CA 1.462 55.475 54.000 0.021 0.000 0.829 222 D CB 0.054 40.957 40.800 0.172 0.000 0.961 222 D HN 0.128 nan 8.370 nan 0.000 0.460 223 R N -0.510 119.985 120.500 -0.008 0.000 2.096 223 R HA 0.024 4.364 4.340 -0.000 0.000 0.235 223 R C 2.478 178.819 176.300 0.068 0.000 1.127 223 R CA 1.171 57.286 56.100 0.025 0.000 0.968 223 R CB -0.455 29.847 30.300 0.004 0.000 0.861 223 R HN 0.226 nan 8.270 nan 0.000 0.440 224 G N 0.985 109.808 108.800 0.037 0.000 2.418 224 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 224 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 224 G C 1.217 176.223 174.900 0.177 0.000 1.158 224 G CA 0.356 45.553 45.100 0.161 0.000 0.771 224 G HN 0.038 nan 8.290 nan 0.000 0.545 225 L N 0.550 121.811 121.223 0.062 0.000 2.027 225 L HA 0.095 4.435 4.340 -0.000 0.000 0.206 225 L C 2.938 179.846 176.870 0.063 0.000 1.074 225 L CA 1.274 56.146 54.840 0.053 0.000 0.745 225 L CB -1.002 41.071 42.059 0.023 0.000 0.898 225 L HN 0.201 nan 8.230 nan 0.000 0.433 226 R N -1.713 118.831 120.500 0.073 0.000 2.120 226 R HA -0.197 4.143 4.340 -0.000 0.000 0.234 226 R C 2.280 178.644 176.300 0.106 0.000 1.123 226 R CA 1.358 57.494 56.100 0.061 0.000 0.975 226 R CB -0.546 29.789 30.300 0.059 0.000 0.866 226 R HN 0.278 nan 8.270 nan 0.000 0.446 227 F N 1.440 121.389 119.950 -0.001 0.000 2.102 227 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 227 F C 2.358 178.160 175.800 0.003 0.000 1.105 227 F CA 1.421 59.424 58.000 0.006 0.000 1.239 227 F CB -0.062 38.951 39.000 0.021 0.000 0.991 227 F HN -0.112 nan 8.300 nan 0.000 0.474 228 M N -0.366 119.192 119.600 -0.071 0.000 2.088 228 M HA -0.307 4.173 4.480 -0.000 0.000 0.256 228 M C 2.592 178.791 176.300 -0.168 0.000 1.071 228 M CA 2.205 57.411 55.300 -0.157 0.000 1.097 228 M CB -0.846 31.740 32.600 -0.023 0.000 1.315 228 M HN 0.319 nan 8.290 nan 0.000 0.406 229 S N -0.074 115.565 115.700 -0.101 0.000 2.368 229 S HA -0.098 4.372 4.470 -0.000 0.000 0.225 229 S C 1.899 176.432 174.600 -0.111 0.000 1.030 229 S CA 1.364 59.504 58.200 -0.101 0.000 0.999 229 S CB -0.185 62.957 63.200 -0.097 0.000 0.844 229 S HN 0.507 nan 8.310 nan 0.000 0.459 230 A N -0.160 122.594 122.820 -0.111 0.000 2.015 230 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 230 A C 2.218 179.710 177.584 -0.153 0.000 1.163 230 A CA 1.358 53.337 52.037 -0.096 0.000 0.646 230 A CB -1.085 17.896 19.000 -0.031 0.000 0.806 230 A HN 0.702 nan 8.150 nan 0.000 0.448 231 C N -1.135 118.004 119.300 -0.268 0.000 2.576 231 C HA 0.420 4.880 4.460 -0.000 0.000 0.267 231 C C 1.966 176.860 174.990 -0.161 0.000 1.364 231 C CA 0.386 59.245 59.018 -0.266 0.000 1.723 231 C CB -1.239 26.239 27.740 -0.437 0.000 1.778 231 C HN 1.034 nan 8.230 nan 0.000 0.572 232 G N -0.037 108.687 108.800 -0.126 0.000 2.159 232 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.227 232 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.227 232 G C 0.024 174.878 174.900 -0.077 0.000 0.986 232 G CA 0.130 45.179 45.100 -0.086 0.000 0.651 232 G HN 0.353 nan 8.290 nan 0.000 0.523 233 V N 1.382 121.243 119.914 -0.089 0.000 2.455 233 V HA 0.655 4.775 4.120 -0.000 0.000 0.273 233 V C 0.895 176.957 176.094 -0.053 0.000 1.045 233 V CA 0.265 62.526 62.300 -0.065 0.000 0.976 233 V CB 0.890 32.673 31.823 -0.066 0.000 0.993 233 V HN 1.022 nan 8.190 nan 0.000 0.475 234 A N 3.569 126.367 122.820 -0.036 0.000 2.299 234 A HA 0.503 4.823 4.320 -0.000 0.000 0.332 234 A C 0.943 178.524 177.584 -0.004 0.000 1.131 234 A CA -0.573 51.448 52.037 -0.027 0.000 0.844 234 A CB 0.604 19.591 19.000 -0.023 0.000 1.251 234 A HN 0.774 nan 8.150 nan 0.000 0.486 235 D N 0.512 120.920 120.400 0.014 0.000 2.117 235 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 235 D C 2.000 178.312 176.300 0.021 0.000 0.987 235 D CA 1.759 55.780 54.000 0.035 0.000 0.829 235 D CB -0.154 40.685 40.800 0.065 0.000 0.961 235 D HN 0.723 nan 8.370 nan 0.000 0.460 236 R N 1.136 121.645 120.500 0.014 0.000 2.139 236 R HA -0.107 4.232 4.340 -0.000 0.000 0.243 236 R C 1.377 177.680 176.300 0.005 0.000 1.145 236 R CA 1.153 57.258 56.100 0.009 0.000 0.976 236 R CB -0.539 29.765 30.300 0.006 0.000 0.866 236 R HN 0.096 nan 8.270 nan 0.000 0.449 237 N N 0.815 119.516 118.700 0.001 0.000 2.457 237 N HA 0.059 4.799 4.740 -0.000 0.000 0.180 237 N C 0.654 176.165 175.510 0.002 0.000 1.050 237 N CA 0.600 53.649 53.050 -0.002 0.000 0.906 237 N CB -0.000 38.480 38.487 -0.010 0.000 0.968 237 N HN 0.219 nan 8.380 nan 0.000 0.445 238 L N 0.641 121.869 121.223 0.008 0.000 2.454 238 L HA 0.334 4.674 4.340 -0.000 0.000 0.256 238 L C 1.200 178.077 176.870 0.012 0.000 1.136 238 L CA -0.678 54.170 54.840 0.012 0.000 0.804 238 L CB 0.158 42.228 42.059 0.019 0.000 1.181 238 L HN 0.078 nan 8.230 nan 0.000 0.469 239 Q N 0.378 120.187 119.800 0.014 0.000 2.304 239 Q HA 0.287 4.627 4.340 -0.000 0.000 0.260 239 Q C 0.034 176.040 176.000 0.009 0.000 0.965 239 Q CA -0.478 55.333 55.803 0.012 0.000 0.898 239 Q CB -0.096 28.652 28.738 0.016 0.000 1.196 239 Q HN 0.634 nan 8.270 nan 0.000 0.402 240 T N 2.444 116.999 114.554 0.003 0.000 2.946 240 T HA 0.405 4.755 4.350 -0.000 0.000 0.312 240 T C 0.727 175.419 174.700 -0.013 0.000 1.066 240 T CA 0.456 62.554 62.100 -0.003 0.000 1.138 240 T CB 0.369 69.231 68.868 -0.009 0.000 1.014 240 T HN 1.097 nan 8.240 nan 0.000 0.544 241 A N 3.598 126.412 122.820 -0.011 0.000 2.511 241 A HA 0.267 4.587 4.320 -0.000 0.000 0.242 241 A C 0.367 177.909 177.584 -0.070 0.000 1.069 241 A CA -0.177 51.849 52.037 -0.019 0.000 0.763 241 A CB 0.070 19.071 19.000 0.002 0.000 1.001 241 A HN 0.849 nan 8.150 nan 0.000 0.498 242 E N 1.697 121.833 120.200 -0.106 0.000 2.182 242 E HA 0.461 4.811 4.350 -0.000 0.000 0.258 242 E C -1.294 175.122 176.600 -0.307 0.000 0.879 242 E CA -0.084 56.154 56.400 -0.270 0.000 0.754 242 E CB 1.583 31.091 29.700 -0.319 0.000 1.162 242 E HN 0.615 nan 8.360 nan 0.000 0.419 243 I N 3.704 124.085 120.570 -0.315 0.000 2.362 243 I HA 0.283 4.453 4.170 -0.000 0.000 0.289 243 I C -0.715 175.225 176.117 -0.295 0.000 0.994 243 I CA -0.777 60.404 61.300 -0.199 0.000 1.158 243 I CB 0.656 38.618 38.000 -0.062 0.000 1.315 243 I HN 0.428 nan 8.210 nan 0.000 0.451 244 Y N 4.224 124.508 120.300 -0.028 0.000 2.354 244 Y HA 0.604 5.154 4.550 -0.000 0.000 0.322 244 Y C 0.651 176.687 175.900 0.226 0.000 1.253 244 Y CA -0.608 57.492 58.100 -0.001 0.000 1.272 244 Y CB 1.131 39.524 38.460 -0.112 0.000 1.255 244 Y HN 0.551 nan 8.280 nan 0.000 0.500 245 A N 1.632 124.854 122.820 0.670 0.000 2.305 245 A HA 0.737 5.057 4.320 -0.000 0.000 0.322 245 A C -0.497 177.284 177.584 0.329 0.000 1.187 245 A CA -0.294 51.970 52.037 0.379 0.000 0.825 245 A CB 0.352 19.512 19.000 0.265 0.000 1.164 245 A HN 0.743 nan 8.150 nan 0.000 0.498 246 S N 1.660 117.529 115.700 0.282 0.000 2.579 246 S HA 0.896 5.366 4.470 -0.000 0.000 0.272 246 S C -0.841 173.932 174.600 0.288 0.000 1.141 246 S CA -0.637 57.715 58.200 0.254 0.000 0.843 246 S CB 1.616 65.021 63.200 0.342 0.000 1.122 246 S HN 1.420 nan 8.310 nan 0.000 0.468 247 H N -0.555 118.522 119.070 0.012 0.000 2.981 247 H HA 0.485 5.041 4.556 -0.000 0.000 0.327 247 H C -1.287 173.354 175.328 -1.145 0.000 1.342 247 H CA -0.631 55.203 56.048 -0.356 0.000 1.123 247 H CB 1.077 30.733 29.762 -0.177 0.000 1.851 247 H HN 0.837 nan 8.280 nan 0.000 0.531 248 E N 0.984 120.303 120.200 -1.468 0.000 2.351 248 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 248 E C -0.319 175.974 176.600 -0.512 0.000 1.031 248 E CA -0.382 55.135 56.400 -1.472 0.000 0.911 248 E CB 0.450 29.601 29.700 -0.914 0.000 0.986 248 E HN 0.611 nan 8.360 nan 0.000 0.446 249 A N 5.707 128.271 122.820 -0.427 0.000 2.666 249 A HA 0.086 4.406 4.320 -0.000 0.000 0.301 249 A C 0.253 177.831 177.584 -0.009 0.000 1.470 249 A CA -0.219 51.755 52.037 -0.105 0.000 1.159 249 A CB -0.055 18.918 19.000 -0.045 0.000 1.116 249 A HN 0.721 nan 8.150 nan 0.000 0.548 250 L N 3.848 125.081 121.223 0.016 0.000 2.435 250 L HA 0.276 4.616 4.340 -0.000 0.000 0.195 250 L C 0.606 177.544 176.870 0.113 0.000 1.072 250 L CA 1.285 56.157 54.840 0.054 0.000 0.833 250 L CB 0.286 42.312 42.059 -0.054 0.000 1.081 250 L HN 0.296 nan 8.230 nan 0.000 0.485 251 V N 2.536 122.479 119.914 0.048 0.000 2.353 251 V HA 0.105 4.225 4.120 -0.000 0.000 0.264 251 V C 1.365 177.474 176.094 0.026 0.000 1.049 251 V CA 0.019 62.345 62.300 0.044 0.000 0.896 251 V CB 0.793 32.664 31.823 0.081 0.000 1.025 251 V HN 0.315 nan 8.190 nan 0.000 0.475 252 L N 2.066 123.230 121.223 -0.098 0.000 2.217 252 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 252 L C 2.008 178.821 176.870 -0.095 0.000 1.107 252 L CA 0.869 55.553 54.840 -0.260 0.000 0.783 252 L CB -0.242 41.580 42.059 -0.395 0.000 0.919 252 L HN 0.585 nan 8.230 nan 0.000 0.442 253 D N -0.468 119.974 120.400 0.070 0.000 2.123 253 D HA -0.251 4.389 4.640 -0.000 0.000 0.196 253 D C 1.873 178.262 176.300 0.148 0.000 0.992 253 D CA 1.466 55.554 54.000 0.147 0.000 0.833 253 D CB -0.057 40.928 40.800 0.309 0.000 0.954 253 D HN 0.318 nan 8.370 nan 0.000 0.455 254 Y N 1.901 122.240 120.300 0.065 0.000 2.153 254 Y HA -0.146 4.404 4.550 -0.000 0.000 0.289 254 Y C 2.172 178.102 175.900 0.051 0.000 1.127 254 Y CA 1.362 59.501 58.100 0.064 0.000 1.131 254 Y CB 0.046 38.561 38.460 0.091 0.000 0.995 254 Y HN -0.173 nan 8.280 nan 0.000 0.505 255 E N 0.734 120.966 120.200 0.055 0.000 2.077 255 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 255 E C 2.230 178.869 176.600 0.064 0.000 0.989 255 E CA 1.721 58.119 56.400 -0.004 0.000 0.800 255 E CB -0.518 29.096 29.700 -0.144 0.000 0.746 255 E HN 0.694 nan 8.360 nan 0.000 0.452 256 R N 0.846 121.353 120.500 0.012 0.000 2.115 256 R HA 0.128 4.468 4.340 -0.000 0.000 0.226 256 R C 2.164 178.496 176.300 0.054 0.000 1.100 256 R CA 1.243 57.431 56.100 0.147 0.000 0.980 256 R CB -0.391 29.977 30.300 0.113 0.000 0.875 256 R HN 0.062 nan 8.270 nan 0.000 0.445 257 A N 1.256 124.060 122.820 -0.027 0.000 2.014 257 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 257 A C 1.867 179.378 177.584 -0.122 0.000 1.163 257 A CA 0.829 52.820 52.037 -0.077 0.000 0.652 257 A CB -0.097 18.841 19.000 -0.103 0.000 0.808 257 A HN 0.241 nan 8.150 nan 0.000 0.449 258 M N -0.103 119.408 119.600 -0.149 0.000 2.494 258 M HA 0.313 4.793 4.480 -0.000 0.000 0.232 258 M C -0.047 176.244 176.300 -0.014 0.000 1.137 258 M CA -0.010 55.208 55.300 -0.136 0.000 1.012 258 M CB -0.971 31.485 32.600 -0.240 0.000 1.567 258 M HN 0.205 nan 8.290 nan 0.000 0.486 259 L N 1.866 123.109 121.223 0.033 0.000 2.416 259 L HA 0.160 4.500 4.340 -0.000 0.000 0.272 259 L C 0.474 177.368 176.870 0.040 0.000 1.161 259 L CA 0.188 55.064 54.840 0.061 0.000 0.845 259 L CB 0.255 42.354 42.059 0.067 0.000 1.119 259 L HN 0.122 nan 8.230 nan 0.000 0.464 260 R N 2.791 123.333 120.500 0.070 0.000 2.725 260 R HA 0.510 4.850 4.340 -0.000 0.000 0.277 260 R C -1.313 175.052 176.300 0.108 0.000 0.987 260 R CA -1.107 55.029 56.100 0.060 0.000 0.901 260 R CB 2.128 32.452 30.300 0.039 0.000 1.207 260 R HN 0.322 nan 8.270 nan 0.000 0.463 261 L N 0.603 121.872 121.223 0.077 0.000 2.292 261 L HA 0.546 4.886 4.340 -0.000 0.000 0.284 261 L C -0.281 176.649 176.870 0.101 0.000 1.065 261 L CA 0.508 55.407 54.840 0.098 0.000 0.806 261 L CB 1.354 43.443 42.059 0.051 0.000 1.175 261 L HN 0.671 nan 8.230 nan 0.000 0.431 262 S N 2.242 118.047 115.700 0.176 0.000 2.565 262 S HA 0.427 4.896 4.470 -0.000 0.000 0.269 262 S C -1.766 172.938 174.600 0.174 0.000 1.153 262 S CA -0.868 57.388 58.200 0.092 0.000 0.835 262 S CB 1.021 64.158 63.200 -0.105 0.000 1.122 262 S HN 0.657 nan 8.310 nan 0.000 0.462 263 D N 2.193 122.646 120.400 0.087 0.000 2.401 263 D HA 0.396 5.036 4.640 -0.000 0.000 0.254 263 D C 0.712 177.119 176.300 0.178 0.000 1.192 263 D CA 0.571 54.631 54.000 0.100 0.000 0.885 263 D CB 0.861 41.686 40.800 0.043 0.000 1.147 263 D HN 0.593 nan 8.370 nan 0.000 0.478 264 G N 1.242 110.174 108.800 0.219 0.000 2.543 264 G HA2 0.136 4.096 3.960 -0.000 0.000 0.290 264 G HA3 0.136 4.096 3.960 -0.000 0.000 0.290 264 G C 0.848 175.827 174.900 0.132 0.000 1.310 264 G CA -0.508 44.758 45.100 0.278 0.000 1.025 264 G HN 0.430 nan 8.290 nan 0.000 0.502 265 D N -1.982 118.485 120.400 0.111 0.000 2.228 265 D HA -0.066 4.574 4.640 -0.000 0.000 0.203 265 D C 1.442 177.749 176.300 0.011 0.000 0.988 265 D CA 1.896 55.927 54.000 0.052 0.000 0.864 265 D CB -0.699 40.123 40.800 0.036 0.000 0.928 265 D HN 0.456 nan 8.370 nan 0.000 0.469 266 D N -1.462 118.931 120.400 -0.011 0.000 2.340 266 D HA 0.443 5.083 4.640 -0.000 0.000 0.217 266 D C 1.775 178.066 176.300 -0.015 0.000 1.081 266 D CA 0.750 54.731 54.000 -0.031 0.000 0.842 266 D CB -0.358 40.397 40.800 -0.074 0.000 0.934 266 D HN 0.443 nan 8.370 nan 0.000 0.511 267 G N 0.129 108.933 108.800 0.006 0.000 2.299 267 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.237 267 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.237 267 G C 0.400 175.308 174.900 0.013 0.000 1.027 267 G CA 0.271 45.378 45.100 0.010 0.000 0.619 267 G HN 0.630 nan 8.290 nan 0.000 0.513 268 E N 2.045 122.247 120.200 0.003 0.000 2.383 268 E HA 0.369 4.719 4.350 -0.000 0.000 0.264 268 E C -2.325 174.288 176.600 0.023 0.000 1.050 268 E CA -1.668 54.734 56.400 0.003 0.000 0.896 268 E CB 0.656 30.347 29.700 -0.015 0.000 0.982 268 E HN 0.151 nan 8.360 nan 0.000 0.424 269 P HA -0.059 nan 4.420 nan 0.000 0.264 269 P C -1.061 176.259 177.300 0.034 0.000 1.193 269 P CA 0.705 63.832 63.100 0.045 0.000 0.763 269 P CB 0.438 32.155 31.700 0.029 0.000 0.810 270 Q N 1.541 121.386 119.800 0.074 0.000 2.423 270 Q HA 0.489 4.829 4.340 -0.000 0.000 0.278 270 Q C -0.729 175.276 176.000 0.009 0.000 1.097 270 Q CA -1.044 54.745 55.803 -0.023 0.000 0.809 270 Q CB 1.964 30.616 28.738 -0.143 0.000 1.391 270 Q HN 0.323 nan 8.270 nan 0.000 0.428 271 L N 2.028 123.182 121.223 -0.114 0.000 2.319 271 L HA 0.389 4.729 4.340 -0.000 0.000 0.280 271 L C -0.938 175.801 176.870 -0.218 0.000 1.099 271 L CA 0.002 54.794 54.840 -0.079 0.000 0.828 271 L CB 0.178 42.160 42.059 -0.127 0.000 1.150 271 L HN 0.430 nan 8.230 nan 0.000 0.442 272 F N 1.082 121.005 119.950 -0.045 0.000 2.482 272 F HA 0.221 4.747 4.527 -0.000 0.000 0.331 272 F C 0.391 176.181 175.800 -0.016 0.000 1.115 272 F CA -0.903 57.081 58.000 -0.028 0.000 0.955 272 F CB 1.429 40.426 39.000 -0.005 0.000 1.136 272 F HN 0.356 nan 8.300 nan 0.000 0.452 273 D N 4.285 124.772 120.400 0.146 0.000 2.374 273 D HA 0.148 4.788 4.640 -0.000 0.000 0.240 273 D C 0.281 176.668 176.300 0.144 0.000 1.229 273 D CA 0.214 54.301 54.000 0.144 0.000 0.895 273 D CB 0.588 41.488 40.800 0.167 0.000 1.046 273 D HN 0.535 nan 8.370 nan 0.000 0.498 274 L N 3.146 124.434 121.223 0.108 0.000 2.737 274 L HA 0.040 4.380 4.340 -0.000 0.000 0.236 274 L C 1.835 178.746 176.870 0.068 0.000 1.219 274 L CA -0.090 54.793 54.840 0.071 0.000 1.021 274 L CB -0.245 41.840 42.059 0.045 0.000 1.291 274 L HN 0.316 nan 8.230 nan 0.000 0.470 275 S N -0.962 114.801 115.700 0.105 0.000 2.562 275 S HA 0.372 4.842 4.470 -0.000 0.000 0.221 275 S C 0.701 175.462 174.600 0.269 0.000 0.975 275 S CA 0.221 58.543 58.200 0.202 0.000 0.918 275 S CB 0.319 63.680 63.200 0.268 0.000 0.772 275 S HN 0.356 nan 8.310 nan 0.000 0.531 276 A N -0.297 122.597 122.820 0.123 0.000 2.515 276 A HA 0.648 4.968 4.320 -0.000 0.000 0.292 276 A C -0.289 177.258 177.584 -0.061 0.000 1.065 276 A CA -0.576 51.495 52.037 0.056 0.000 0.641 276 A CB -0.239 18.817 19.000 0.094 0.000 1.306 276 A HN 0.264 nan 8.150 nan 0.000 0.441 277 H N -0.525 118.646 119.070 0.169 0.000 2.399 277 H HA 0.307 4.863 4.556 -0.000 0.000 0.300 277 H C 0.885 176.269 175.328 0.094 0.000 1.048 277 H CA 1.830 57.973 56.048 0.160 0.000 1.370 277 H CB 0.526 30.432 29.762 0.240 0.000 1.428 277 H HN 0.645 nan 8.280 nan 0.000 0.534 278 T N 0.467 115.133 114.554 0.188 0.000 2.903 278 T HA 0.545 4.895 4.350 -0.000 0.000 0.299 278 T C -1.391 173.343 174.700 0.056 0.000 1.093 278 T CA -0.569 61.595 62.100 0.107 0.000 1.002 278 T CB 1.093 70.013 68.868 0.086 0.000 1.127 278 T HN 0.123 nan 8.240 nan 0.000 0.488 279 V N 1.610 121.543 119.914 0.031 0.000 3.078 279 V HA 1.026 5.146 4.120 -0.000 0.000 0.311 279 V C -1.344 174.821 176.094 0.117 0.000 1.138 279 V CA -1.253 61.005 62.300 -0.070 0.000 1.007 279 V CB 1.565 33.248 31.823 -0.234 0.000 1.045 279 V HN 1.109 nan 8.190 nan 0.000 0.432 280 W N 1.563 122.845 121.300 -0.029 0.000 2.902 280 W HA 0.930 5.590 4.660 -0.000 0.000 0.346 280 W C -1.583 174.921 176.519 -0.024 0.000 1.139 280 W CA -1.522 55.810 57.345 -0.022 0.000 1.139 280 W CB 1.198 30.655 29.460 -0.006 0.000 1.439 280 W HN 0.622 nan 8.180 nan 0.000 0.558 281 I N 3.024 123.687 120.570 0.155 0.000 2.378 281 I HA 0.536 4.706 4.170 -0.000 0.000 0.291 281 I C 0.898 177.065 176.117 0.084 0.000 0.992 281 I CA -0.826 60.487 61.300 0.022 0.000 1.154 281 I CB 1.323 39.329 38.000 0.010 0.000 1.315 281 I HN 0.785 nan 8.210 nan 0.000 0.448 282 G N 3.596 112.403 108.800 0.012 0.000 2.580 282 G HA2 0.141 4.101 3.960 -0.000 0.000 0.278 282 G HA3 0.141 4.101 3.960 -0.000 0.000 0.278 282 G C 0.670 175.533 174.900 -0.062 0.000 1.212 282 G CA -0.258 44.855 45.100 0.022 0.000 0.939 282 G HN 0.659 nan 8.290 nan 0.000 0.513 283 E N 0.054 120.214 120.200 -0.067 0.000 2.114 283 E HA -0.162 4.188 4.350 -0.000 0.000 0.199 283 E C 2.409 178.979 176.600 -0.050 0.000 1.008 283 E CA 1.072 57.438 56.400 -0.056 0.000 0.810 283 E CB 0.024 29.696 29.700 -0.047 0.000 0.739 283 E HN 0.467 nan 8.360 nan 0.000 0.456 284 R N -0.215 120.243 120.500 -0.070 0.000 2.310 284 R HA 0.019 4.359 4.340 -0.000 0.000 0.202 284 R C 1.404 177.641 176.300 -0.106 0.000 0.933 284 R CA 1.063 57.123 56.100 -0.067 0.000 1.054 284 R CB 0.309 30.571 30.300 -0.063 0.000 0.985 284 R HN 0.111 nan 8.270 nan 0.000 0.489 285 T N -2.393 112.058 114.554 -0.172 0.000 3.170 285 T HA 0.109 4.458 4.350 -0.000 0.000 0.288 285 T C 0.939 175.536 174.700 -0.171 0.000 0.992 285 T CA -0.628 61.285 62.100 -0.312 0.000 0.909 285 T CB 0.144 68.535 68.868 -0.795 0.000 1.133 285 T HN 0.227 nan 8.240 nan 0.000 0.530 286 R N 0.842 121.309 120.500 -0.055 0.000 2.480 286 R HA 0.372 4.712 4.340 -0.000 0.000 0.277 286 R C -0.446 175.961 176.300 0.177 0.000 1.008 286 R CA -0.588 55.532 56.100 0.033 0.000 1.090 286 R CB -0.434 29.826 30.300 -0.067 0.000 1.234 286 R HN 0.189 nan 8.270 nan 0.000 0.549 287 Q N 0.908 120.782 119.800 0.123 0.000 2.269 287 Q HA -0.056 4.283 4.340 -0.000 0.000 0.300 287 Q C 0.894 176.983 176.000 0.148 0.000 1.070 287 Q CA 0.052 55.929 55.803 0.123 0.000 0.957 287 Q CB 0.753 29.542 28.738 0.084 0.000 1.131 287 Q HN 0.308 nan 8.270 nan 0.000 0.377 288 I N 1.872 122.503 120.570 0.102 0.000 2.361 288 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 288 I C 0.535 176.678 176.117 0.043 0.000 1.133 288 I CA 1.641 62.965 61.300 0.042 0.000 1.413 288 I CB 0.204 38.119 38.000 -0.143 0.000 1.073 288 I HN 0.646 nan 8.210 nan 0.000 0.424 289 D N 0.626 121.049 120.400 0.038 0.000 2.463 289 D HA 0.231 4.871 4.640 -0.000 0.000 0.224 289 D C 0.622 176.956 176.300 0.056 0.000 1.174 289 D CA 0.217 54.239 54.000 0.036 0.000 0.829 289 D CB 0.152 40.962 40.800 0.016 0.000 0.993 289 D HN 0.363 nan 8.370 nan 0.000 0.497 290 G N -0.203 108.649 108.800 0.087 0.000 2.522 290 G HA2 0.408 4.367 3.960 -0.000 0.000 0.304 290 G HA3 0.408 4.367 3.960 -0.000 0.000 0.304 290 G C 1.085 176.053 174.900 0.112 0.000 1.210 290 G CA -0.062 45.100 45.100 0.104 0.000 0.960 290 G HN 0.043 nan 8.290 nan 0.000 0.497 291 A N -0.714 122.160 122.820 0.090 0.000 1.933 291 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 291 A C 2.007 179.613 177.584 0.038 0.000 1.175 291 A CA 2.107 54.160 52.037 0.027 0.000 0.628 291 A CB -0.778 18.173 19.000 -0.081 0.000 0.814 291 A HN 0.753 nan 8.150 nan 0.000 0.444 292 H N -0.463 118.647 119.070 0.067 0.000 2.326 292 H HA -0.031 4.525 4.556 -0.000 0.000 0.301 292 H C 1.954 177.365 175.328 0.139 0.000 1.081 292 H CA 1.641 57.736 56.048 0.078 0.000 1.334 292 H CB -0.094 29.681 29.762 0.021 0.000 1.385 292 H HN 0.340 nan 8.280 nan 0.000 0.504 293 I N 0.604 121.322 120.570 0.248 0.000 2.179 293 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 293 I C 2.559 178.766 176.117 0.149 0.000 1.088 293 I CA 1.288 62.702 61.300 0.191 0.000 1.357 293 I CB -1.349 36.776 38.000 0.208 0.000 1.051 293 I HN 0.289 nan 8.210 nan 0.000 0.409 294 A N 0.444 123.345 122.820 0.135 0.000 1.902 294 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 294 A C 2.314 179.958 177.584 0.099 0.000 1.181 294 A CA 1.418 53.511 52.037 0.093 0.000 0.623 294 A CB -1.081 17.965 19.000 0.078 0.000 0.818 294 A HN 0.376 nan 8.150 nan 0.000 0.443 295 F N 0.955 120.903 119.950 -0.003 0.000 2.102 295 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 295 F C 2.545 178.340 175.800 -0.009 0.000 1.105 295 F CA 1.325 59.314 58.000 -0.018 0.000 1.239 295 F CB -0.400 38.573 39.000 -0.045 0.000 0.991 295 F HN 0.248 nan 8.300 nan 0.000 0.474 296 A N -0.238 122.674 122.820 0.154 0.000 1.978 296 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 296 A C 2.092 179.643 177.584 -0.055 0.000 1.170 296 A CA 1.924 53.987 52.037 0.044 0.000 0.636 296 A CB -0.828 18.234 19.000 0.103 0.000 0.810 296 A HN 0.638 nan 8.150 nan 0.000 0.448 297 Q N -0.880 118.897 119.800 -0.039 0.000 2.297 297 Q HA -0.021 4.319 4.340 -0.000 0.000 0.204 297 Q C 1.706 177.643 176.000 -0.105 0.000 0.962 297 Q CA 1.200 56.971 55.803 -0.052 0.000 0.879 297 Q CB -0.042 28.683 28.738 -0.021 0.000 0.947 297 Q HN 0.526 nan 8.270 nan 0.000 0.462 298 V N 1.223 121.026 119.914 -0.186 0.000 3.354 298 V HA 0.027 4.147 4.120 -0.000 0.000 0.258 298 V C 1.110 177.025 176.094 -0.298 0.000 1.159 298 V CA 0.413 62.576 62.300 -0.228 0.000 1.125 298 V CB -0.202 31.469 31.823 -0.254 0.000 0.774 298 V HN 0.302 nan 8.190 nan 0.000 0.464 299 I N -1.815 118.543 120.570 -0.354 0.000 2.499 299 I HA 0.651 4.821 4.170 -0.000 0.000 0.296 299 I C 1.232 177.157 176.117 -0.319 0.000 0.992 299 I CA -0.342 60.745 61.300 -0.355 0.000 1.297 299 I CB 1.615 39.406 38.000 -0.348 0.000 1.410 299 I HN -0.049 nan 8.210 nan 0.000 0.507 300 A N 3.984 126.504 122.820 -0.501 0.000 2.119 300 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 300 A C 0.766 178.159 177.584 -0.319 0.000 1.152 300 A CA 0.295 51.987 52.037 -0.574 0.000 0.708 300 A CB -1.057 17.163 19.000 -1.301 0.000 0.805 300 A HN 0.880 nan 8.150 nan 0.000 0.460 301 N N 1.162 119.751 118.700 -0.185 0.000 2.441 301 N HA 0.302 5.042 4.740 -0.000 0.000 0.251 301 N C -2.818 172.683 175.510 -0.015 0.000 1.242 301 N CA -0.891 52.155 53.050 -0.007 0.000 0.898 301 N CB -0.177 38.337 38.487 0.044 0.000 1.100 301 N HN 0.101 nan 8.380 nan 0.000 0.443 302 P HA -0.001 nan 4.420 nan 0.000 0.266 302 P C -0.652 176.655 177.300 0.012 0.000 1.195 302 P CA -0.108 62.988 63.100 -0.006 0.000 0.768 302 P CB 0.513 32.199 31.700 -0.024 0.000 0.838 303 V N 0.203 120.122 119.914 0.009 0.000 3.040 303 V HA 0.990 5.110 4.120 -0.000 0.000 0.312 303 V C -0.051 176.065 176.094 0.036 0.000 1.115 303 V CA -0.916 61.407 62.300 0.039 0.000 0.998 303 V CB 1.992 33.835 31.823 0.034 0.000 1.042 303 V HN 0.633 nan 8.190 nan 0.000 0.433 304 G N 0.220 109.078 108.800 0.096 0.000 2.533 304 G HA2 0.691 4.651 3.960 -0.000 0.000 0.304 304 G HA3 0.691 4.651 3.960 -0.000 0.000 0.304 304 G C -1.542 173.398 174.900 0.067 0.000 1.263 304 G CA -0.886 44.254 45.100 0.067 0.000 0.964 304 G HN 1.066 nan 8.290 nan 0.000 0.479 305 V N 1.864 121.754 119.914 -0.040 0.000 2.588 305 V HA 0.398 4.518 4.120 -0.000 0.000 0.304 305 V C -0.647 175.375 176.094 -0.119 0.000 1.042 305 V CA -1.274 60.954 62.300 -0.120 0.000 0.877 305 V CB 1.918 33.534 31.823 -0.345 0.000 0.996 305 V HN 0.592 nan 8.190 nan 0.000 0.425 306 K N 5.119 125.463 120.400 -0.093 0.000 2.339 306 K HA 0.511 4.831 4.320 -0.000 0.000 0.286 306 K C -0.804 175.738 176.600 -0.097 0.000 1.050 306 K CA -0.007 56.216 56.287 -0.107 0.000 0.956 306 K CB 1.044 33.476 32.500 -0.114 0.000 0.990 306 K HN 0.522 nan 8.250 nan 0.000 0.475 307 L N 2.269 123.464 121.223 -0.047 0.000 2.319 307 L HA 0.420 4.759 4.340 -0.000 0.000 0.281 307 L C 0.864 177.744 176.870 0.018 0.000 1.005 307 L CA -0.819 54.023 54.840 0.004 0.000 0.828 307 L CB 1.777 43.876 42.059 0.066 0.000 1.227 307 L HN 0.640 nan 8.230 nan 0.000 0.415 308 G N 2.257 111.067 108.800 0.017 0.000 2.568 308 G HA2 0.461 4.421 3.960 -0.000 0.000 0.293 308 G HA3 0.461 4.421 3.960 -0.000 0.000 0.293 308 G C -1.953 172.961 174.900 0.023 0.000 1.347 308 G CA -1.062 44.049 45.100 0.018 0.000 1.039 308 G HN 0.409 nan 8.290 nan 0.000 0.523 309 P HA -0.070 nan 4.420 nan 0.000 0.225 309 P C 1.053 178.355 177.300 0.005 0.000 1.148 309 P CA 0.780 63.877 63.100 -0.005 0.000 0.779 309 P CB 0.113 31.799 31.700 -0.023 0.000 0.780 310 N N -0.958 117.753 118.700 0.018 0.000 2.322 310 N HA 0.010 4.750 4.740 -0.000 0.000 0.194 310 N C 0.401 175.934 175.510 0.038 0.000 1.126 310 N CA -0.157 52.907 53.050 0.024 0.000 0.845 310 N CB -0.614 37.888 38.487 0.025 0.000 0.976 310 N HN 0.015 nan 8.380 nan 0.000 0.475 311 M N 2.488 122.117 119.600 0.049 0.000 2.238 311 M HA 0.105 4.585 4.480 -0.000 0.000 0.350 311 M C -0.047 176.288 176.300 0.058 0.000 1.321 311 M CA -0.093 55.253 55.300 0.076 0.000 1.097 311 M CB 0.525 33.182 32.600 0.095 0.000 1.713 311 M HN 0.253 nan 8.290 nan 0.000 0.455 312 T N 3.295 117.885 114.554 0.059 0.000 2.929 312 T HA 0.586 4.936 4.350 -0.000 0.000 0.284 312 T C -2.170 172.562 174.700 0.053 0.000 1.014 312 T CA -1.773 60.350 62.100 0.039 0.000 1.051 312 T CB 1.044 69.925 68.868 0.021 0.000 1.028 312 T HN 0.524 nan 8.240 nan 0.000 0.485 313 P HA -0.097 nan 4.420 nan 0.000 0.216 313 P C 1.072 178.398 177.300 0.044 0.000 1.150 313 P CA 1.082 64.212 63.100 0.050 0.000 0.843 313 P CB 0.111 31.828 31.700 0.029 0.000 0.787 314 E N -0.932 119.280 120.200 0.019 0.000 2.072 314 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 314 E C 1.848 178.430 176.600 -0.029 0.000 0.982 314 E CA 0.635 57.033 56.400 -0.004 0.000 0.803 314 E CB -1.272 28.420 29.700 -0.014 0.000 0.755 314 E HN 0.113 nan 8.360 nan 0.000 0.453 315 L N 0.561 121.766 121.223 -0.029 0.000 2.093 315 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 315 L C 2.038 178.884 176.870 -0.040 0.000 1.085 315 L CA 1.835 56.617 54.840 -0.097 0.000 0.755 315 L CB -0.798 41.224 42.059 -0.061 0.000 0.904 315 L HN 0.120 nan 8.230 nan 0.000 0.435 316 A N -1.066 121.823 122.820 0.115 0.000 1.883 316 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 316 A C 2.280 179.938 177.584 0.123 0.000 1.186 316 A CA 2.150 54.318 52.037 0.219 0.000 0.624 316 A CB -1.185 17.945 19.000 0.217 0.000 0.822 316 A HN 0.294 nan 8.150 nan 0.000 0.444 317 V N -0.001 119.943 119.914 0.050 0.000 2.332 317 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 317 V C 2.602 178.656 176.094 -0.066 0.000 1.055 317 V CA 2.500 64.795 62.300 -0.008 0.000 1.038 317 V CB -0.739 31.082 31.823 -0.004 0.000 0.651 317 V HN 0.737 nan 8.190 nan 0.000 0.450 318 E N -0.460 119.677 120.200 -0.104 0.000 2.110 318 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 318 E C 1.984 178.486 176.600 -0.165 0.000 0.988 318 E CA 1.634 57.933 56.400 -0.169 0.000 0.804 318 E CB -0.357 29.195 29.700 -0.245 0.000 0.745 318 E HN 0.675 nan 8.360 nan 0.000 0.458 319 Y N -0.426 119.844 120.300 -0.049 0.000 2.145 319 Y HA -0.170 4.380 4.550 -0.000 0.000 0.286 319 Y C 2.399 178.242 175.900 -0.095 0.000 1.145 319 Y CA 1.224 59.292 58.100 -0.052 0.000 1.148 319 Y CB -0.818 37.623 38.460 -0.032 0.000 0.981 319 Y HN -0.050 nan 8.280 nan 0.000 0.507 320 V N 0.140 120.069 119.914 0.026 0.000 2.332 320 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 320 V C 2.011 177.947 176.094 -0.263 0.000 1.055 320 V CA 2.233 64.445 62.300 -0.145 0.000 1.038 320 V CB -0.571 31.119 31.823 -0.221 0.000 0.651 320 V HN 0.429 nan 8.190 nan 0.000 0.450 321 E N -0.503 119.552 120.200 -0.240 0.000 2.152 321 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 321 E C 2.463 178.997 176.600 -0.109 0.000 0.983 321 E CA 0.681 56.954 56.400 -0.213 0.000 0.818 321 E CB -0.092 29.520 29.700 -0.147 0.000 0.758 321 E HN 0.537 nan 8.360 nan 0.000 0.467 322 R N 0.072 120.529 120.500 -0.071 0.000 2.119 322 R HA 0.049 4.389 4.340 -0.000 0.000 0.222 322 R C 2.061 178.348 176.300 -0.022 0.000 1.088 322 R CA 0.695 56.773 56.100 -0.037 0.000 0.984 322 R CB 0.095 30.390 30.300 -0.009 0.000 0.884 322 R HN 0.166 nan 8.270 nan 0.000 0.447 323 L N -0.476 120.743 121.223 -0.007 0.000 2.556 323 L HA 0.107 4.446 4.340 -0.000 0.000 0.226 323 L C 0.370 177.235 176.870 -0.007 0.000 1.089 323 L CA 0.268 55.110 54.840 0.003 0.000 0.864 323 L CB 0.365 42.441 42.059 0.027 0.000 1.067 323 L HN -0.025 nan 8.230 nan 0.000 0.477 324 D N -0.057 120.333 120.400 -0.016 0.000 2.886 324 D HA 0.127 4.767 4.640 -0.000 0.000 0.355 324 D C -1.592 174.764 176.300 0.093 0.000 1.274 324 D CA -1.731 52.298 54.000 0.049 0.000 0.836 324 D CB 0.671 41.528 40.800 0.096 0.000 1.109 324 D HN -0.062 nan 8.370 nan 0.000 0.488 325 P HA -0.102 nan 4.420 nan 0.000 0.223 325 P C 0.477 177.664 177.300 -0.188 0.000 1.151 325 P CA 0.963 63.984 63.100 -0.132 0.000 0.787 325 P CB 0.096 31.607 31.700 -0.316 0.000 0.788 326 H N -1.335 117.768 119.070 0.054 0.000 2.529 326 H HA 0.206 4.762 4.556 -0.000 0.000 0.277 326 H C 0.212 175.526 175.328 -0.023 0.000 1.004 326 H CA -0.135 55.919 56.048 0.009 0.000 1.167 326 H CB -0.804 28.953 29.762 -0.008 0.000 1.445 326 H HN 0.085 nan 8.280 nan 0.000 0.554 327 N N 1.826 120.561 118.700 0.058 0.000 2.671 327 N HA -0.171 4.568 4.740 -0.000 0.000 0.261 327 N C -1.222 174.281 175.510 -0.011 0.000 1.053 327 N CA -0.135 52.861 53.050 -0.090 0.000 0.732 327 N CB -0.255 38.040 38.487 -0.319 0.000 0.887 327 N HN 0.135 nan 8.380 nan 0.000 0.546 328 K N 1.588 122.016 120.400 0.045 0.000 2.299 328 K HA 0.335 4.655 4.320 -0.000 0.000 0.268 328 K C -2.503 174.103 176.600 0.009 0.000 1.075 328 K CA -1.617 54.684 56.287 0.024 0.000 0.936 328 K CB 1.290 33.810 32.500 0.034 0.000 1.228 328 K HN 0.190 nan 8.250 nan 0.000 0.454 329 P HA -0.058 nan 4.420 nan 0.000 0.262 329 P C 0.906 178.191 177.300 -0.026 0.000 1.182 329 P CA 0.977 64.066 63.100 -0.018 0.000 0.761 329 P CB 0.515 32.202 31.700 -0.022 0.000 0.795 330 G N 3.342 112.117 108.800 -0.041 0.000 2.241 330 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.244 330 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.244 330 G C 1.330 176.200 174.900 -0.051 0.000 0.998 330 G CA 0.484 45.552 45.100 -0.053 0.000 0.621 330 G HN 0.616 nan 8.290 nan 0.000 0.519 331 R N 0.269 120.750 120.500 -0.032 0.000 2.105 331 R HA 0.224 4.564 4.340 -0.000 0.000 0.239 331 R C 1.079 177.359 176.300 -0.034 0.000 1.135 331 R CA 1.939 58.025 56.100 -0.023 0.000 0.967 331 R CB -0.312 29.988 30.300 0.000 0.000 0.861 331 R HN 0.835 nan 8.270 nan 0.000 0.442 332 L N 0.592 121.783 121.223 -0.052 0.000 2.341 332 L HA 0.480 4.820 4.340 -0.000 0.000 0.278 332 L C -1.316 175.476 176.870 -0.130 0.000 1.005 332 L CA -0.218 54.576 54.840 -0.077 0.000 0.818 332 L CB 2.332 44.344 42.059 -0.078 0.000 1.259 332 L HN 0.088 nan 8.230 nan 0.000 0.418 333 T N 6.019 120.501 114.554 -0.119 0.000 2.797 333 T HA 0.547 4.897 4.350 -0.000 0.000 0.279 333 T C -0.340 174.267 174.700 -0.154 0.000 0.991 333 T CA -0.322 61.687 62.100 -0.151 0.000 0.979 333 T CB 0.877 69.683 68.868 -0.103 0.000 0.943 333 T HN 0.417 nan 8.240 nan 0.000 0.444 334 L N 3.534 124.628 121.223 -0.215 0.000 2.265 334 L HA 0.498 4.838 4.340 -0.000 0.000 0.289 334 L C -0.434 176.453 176.870 0.028 0.000 1.033 334 L CA -0.973 53.794 54.840 -0.121 0.000 0.814 334 L CB 1.256 43.188 42.059 -0.211 0.000 1.203 334 L HN 0.360 nan 8.230 nan 0.000 0.423 335 V N 2.448 122.360 119.914 -0.002 0.000 2.304 335 V HA 0.135 4.255 4.120 -0.000 0.000 0.269 335 V C 0.548 176.650 176.094 0.013 0.000 1.036 335 V CA -0.293 61.994 62.300 -0.021 0.000 0.840 335 V CB 1.205 32.953 31.823 -0.126 0.000 1.036 335 V HN 0.792 nan 8.190 nan 0.000 0.466 336 S N 5.693 121.447 115.700 0.090 0.000 2.481 336 S HA 0.499 4.969 4.470 -0.000 0.000 0.276 336 S C 0.196 174.801 174.600 0.008 0.000 1.247 336 S CA -0.681 57.582 58.200 0.105 0.000 1.053 336 S CB -0.037 63.310 63.200 0.245 0.000 0.925 336 S HN 0.825 nan 8.310 nan 0.000 0.491 337 R N 4.609 125.115 120.500 0.010 0.000 2.629 337 R HA 0.397 4.737 4.340 -0.000 0.000 0.275 337 R C 0.037 176.352 176.300 0.025 0.000 1.719 337 R CA -0.371 55.734 56.100 0.007 0.000 1.472 337 R CB 0.006 30.310 30.300 0.006 0.000 1.237 337 R HN 0.447 nan 8.270 nan 0.000 0.589 338 M N 0.531 120.145 119.600 0.024 0.000 2.492 338 M HA 0.334 4.814 4.480 -0.000 0.000 0.255 338 M C 0.491 176.783 176.300 -0.014 0.000 1.139 338 M CA 0.740 56.041 55.300 0.001 0.000 1.096 338 M CB -0.136 32.458 32.600 -0.010 0.000 1.360 338 M HN 0.849 nan 8.290 nan 0.000 0.480 339 G N 2.640 111.463 108.800 0.039 0.000 2.719 339 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 339 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 339 G C 0.374 175.350 174.900 0.127 0.000 1.201 339 G CA -0.056 45.117 45.100 0.122 0.000 0.768 339 G HN 0.449 nan 8.290 nan 0.000 0.629 340 N N 0.858 119.693 118.700 0.226 0.000 2.309 340 N HA -0.192 4.548 4.740 -0.000 0.000 0.182 340 N C 1.639 177.254 175.510 0.175 0.000 1.018 340 N CA 2.216 55.356 53.050 0.151 0.000 0.876 340 N CB -0.439 38.103 38.487 0.093 0.000 0.972 340 N HN 0.999 nan 8.380 nan 0.000 0.434 341 H N -0.318 118.761 119.070 0.015 0.000 2.547 341 H HA 0.239 4.795 4.556 -0.000 0.000 0.272 341 H C 0.781 176.116 175.328 0.012 0.000 0.989 341 H CA 0.465 56.521 56.048 0.014 0.000 1.214 341 H CB -0.075 29.697 29.762 0.015 0.000 1.389 341 H HN 0.297 nan 8.280 nan 0.000 0.577 342 K N 0.092 120.331 120.400 -0.269 0.000 2.425 342 K HA 0.132 4.452 4.320 -0.000 0.000 0.201 342 K C 1.894 178.430 176.600 -0.107 0.000 1.128 342 K CA 0.456 56.599 56.287 -0.240 0.000 1.000 342 K CB 0.950 33.233 32.500 -0.362 0.000 0.961 342 K HN 0.029 nan 8.250 nan 0.000 0.555 343 V N 1.944 121.825 119.914 -0.054 0.000 2.407 343 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 343 V C 1.873 177.944 176.094 -0.038 0.000 1.055 343 V CA 1.790 64.080 62.300 -0.017 0.000 1.049 343 V CB -0.173 31.678 31.823 0.046 0.000 0.662 343 V HN 0.226 nan 8.190 nan 0.000 0.455 344 R N -0.188 120.294 120.500 -0.031 0.000 2.152 344 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 344 R C 1.928 178.189 176.300 -0.065 0.000 1.117 344 R CA 1.755 57.826 56.100 -0.049 0.000 0.981 344 R CB -0.269 30.016 30.300 -0.024 0.000 0.870 344 R HN 0.587 nan 8.270 nan 0.000 0.451 345 D N -0.033 120.332 120.400 -0.058 0.000 2.216 345 D HA -0.002 4.638 4.640 -0.000 0.000 0.208 345 D C 1.861 178.122 176.300 -0.065 0.000 0.960 345 D CA 0.863 54.828 54.000 -0.058 0.000 0.861 345 D CB 0.261 41.032 40.800 -0.047 0.000 0.985 345 D HN 0.183 nan 8.370 nan 0.000 0.493 346 L N 0.182 121.365 121.223 -0.067 0.000 2.298 346 L HA 0.048 4.388 4.340 -0.000 0.000 0.209 346 L C 2.212 179.041 176.870 -0.069 0.000 1.084 346 L CA 0.111 54.916 54.840 -0.058 0.000 0.816 346 L CB 0.027 42.057 42.059 -0.048 0.000 0.967 346 L HN -0.012 nan 8.230 nan 0.000 0.460 347 L N 1.006 122.171 121.223 -0.096 0.000 2.072 347 L HA 0.006 4.346 4.340 -0.000 0.000 0.205 347 L C -0.528 176.198 176.870 -0.240 0.000 1.079 347 L CA 1.790 56.538 54.840 -0.153 0.000 0.752 347 L CB -1.238 40.715 42.059 -0.177 0.000 0.906 347 L HN 0.027 nan 8.230 nan 0.000 0.436 348 P HA -0.110 nan 4.420 nan 0.000 0.215 348 P C -1.373 175.822 177.300 -0.175 0.000 1.157 348 P CA 1.909 64.865 63.100 -0.241 0.000 0.868 348 P CB -1.198 30.393 31.700 -0.181 0.000 0.788 349 P HA -0.111 nan 4.420 nan 0.000 0.218 349 P C 1.525 178.796 177.300 -0.048 0.000 1.148 349 P CA 1.203 64.262 63.100 -0.068 0.000 0.822 349 P CB -0.487 31.187 31.700 -0.043 0.000 0.784 350 I N -1.298 119.239 120.570 -0.056 0.000 2.202 350 I HA -0.191 3.978 4.170 -0.000 0.000 0.242 350 I C 2.235 178.358 176.117 0.010 0.000 1.091 350 I CA 1.237 62.545 61.300 0.014 0.000 1.368 350 I CB -0.813 37.216 38.000 0.049 0.000 1.058 350 I HN -0.192 nan 8.210 nan 0.000 0.410 351 V N 0.848 120.609 119.914 -0.256 0.000 2.287 351 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 351 V C 2.395 178.440 176.094 -0.081 0.000 1.053 351 V CA 1.994 64.028 62.300 -0.443 0.000 1.027 351 V CB -0.741 30.563 31.823 -0.866 0.000 0.646 351 V HN 0.437 nan 8.190 nan 0.000 0.447 352 E N -0.312 119.832 120.200 -0.092 0.000 2.058 352 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 352 E C 2.397 179.021 176.600 0.040 0.000 0.997 352 E CA 1.135 57.522 56.400 -0.023 0.000 0.801 352 E CB -0.195 29.480 29.700 -0.042 0.000 0.746 352 E HN 0.375 nan 8.360 nan 0.000 0.450 353 K N 0.686 121.115 120.400 0.048 0.000 2.026 353 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 353 K C 2.229 178.896 176.600 0.112 0.000 1.048 353 K CA 0.734 57.062 56.287 0.067 0.000 0.929 353 K CB -0.470 32.063 32.500 0.056 0.000 0.713 353 K HN 0.038 nan 8.250 nan 0.000 0.439 354 V N 1.877 121.902 119.914 0.186 0.000 2.343 354 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 354 V C 2.492 178.727 176.094 0.236 0.000 1.051 354 V CA 1.565 64.007 62.300 0.237 0.000 1.036 354 V CB -0.373 31.696 31.823 0.409 0.000 0.654 354 V HN 0.328 nan 8.190 nan 0.000 0.451 355 Q N -0.117 119.844 119.800 0.268 0.000 2.170 355 Q HA -0.127 4.213 4.340 -0.000 0.000 0.203 355 Q C 2.327 178.411 176.000 0.139 0.000 0.976 355 Q CA 1.777 57.710 55.803 0.217 0.000 0.858 355 Q CB -0.614 28.235 28.738 0.186 0.000 0.907 355 Q HN 0.669 nan 8.270 nan 0.000 0.433 356 A N 0.850 123.736 122.820 0.110 0.000 2.168 356 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 356 A C 2.165 179.802 177.584 0.089 0.000 1.152 356 A CA 1.590 53.674 52.037 0.080 0.000 0.716 356 A CB -0.579 18.456 19.000 0.058 0.000 0.794 356 A HN 0.501 nan 8.150 nan 0.000 0.465 357 T N -4.216 110.411 114.554 0.121 0.000 3.035 357 T HA 0.284 4.634 4.350 -0.000 0.000 0.268 357 T C 1.649 176.457 174.700 0.180 0.000 1.109 357 T CA 1.264 63.462 62.100 0.163 0.000 1.119 357 T CB -0.329 68.661 68.868 0.203 0.000 0.900 357 T HN 1.599 nan 8.240 nan 0.000 0.503 358 G N 0.951 109.825 108.800 0.125 0.000 2.205 358 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.261 358 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.261 358 G C 0.124 175.035 174.900 0.018 0.000 0.980 358 G CA 0.333 45.465 45.100 0.053 0.000 0.632 358 G HN 0.752 nan 8.290 nan 0.000 0.533 359 H N 0.730 119.811 119.070 0.018 0.000 2.690 359 H HA 0.360 4.916 4.556 -0.000 0.000 0.365 359 H C 0.291 175.617 175.328 -0.004 0.000 1.142 359 H CA 0.453 56.501 56.048 -0.001 0.000 1.417 359 H CB 0.539 30.292 29.762 -0.015 0.000 1.446 359 H HN 0.389 nan 8.280 nan 0.000 0.599 360 Q N 2.311 122.160 119.800 0.080 0.000 2.456 360 Q HA 0.281 4.621 4.340 -0.000 0.000 0.252 360 Q C -0.242 175.724 176.000 -0.057 0.000 1.042 360 Q CA -0.618 55.196 55.803 0.020 0.000 0.766 360 Q CB 1.739 30.481 28.738 0.007 0.000 1.196 360 Q HN 0.412 nan 8.270 nan 0.000 0.504 361 V N -0.232 119.574 119.914 -0.180 0.000 2.997 361 V HA 0.556 4.676 4.120 -0.000 0.000 0.311 361 V C 0.129 175.985 176.094 -0.397 0.000 1.066 361 V CA -0.883 61.206 62.300 -0.351 0.000 1.039 361 V CB 1.047 32.493 31.823 -0.629 0.000 1.081 361 V HN 0.554 nan 8.190 nan 0.000 0.467 362 I N 1.743 122.113 120.570 -0.334 0.000 2.342 362 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 362 I C -0.690 175.236 176.117 -0.319 0.000 1.010 362 I CA 0.063 61.225 61.300 -0.231 0.000 1.308 362 I CB 0.879 38.798 38.000 -0.134 0.000 1.400 362 I HN 0.691 nan 8.210 nan 0.000 0.488 363 W N 6.550 127.854 121.300 0.007 0.000 2.342 363 W HA 0.418 5.078 4.660 -0.000 0.000 0.310 363 W C 0.221 176.823 176.519 0.137 0.000 1.128 363 W CA -0.350 57.049 57.345 0.090 0.000 1.322 363 W CB 0.558 30.052 29.460 0.056 0.000 1.251 363 W HN 0.422 nan 8.180 nan 0.000 0.439 364 Q N 3.390 123.357 119.800 0.279 0.000 2.353 364 Q HA 0.467 4.807 4.340 -0.000 0.000 0.268 364 Q C -1.051 174.809 176.000 -0.234 0.000 1.045 364 Q CA -0.779 55.007 55.803 -0.029 0.000 0.811 364 Q CB 2.211 30.879 28.738 -0.117 0.000 1.305 364 Q HN 0.620 nan 8.270 nan 0.000 0.447 365 C N 3.520 122.389 119.300 -0.718 0.000 2.285 365 C HA 0.396 4.856 4.460 -0.000 0.000 0.335 365 C C -0.576 174.197 174.990 -0.361 0.000 1.267 365 C CA -0.352 58.153 59.018 -0.855 0.000 1.762 365 C CB 0.292 27.148 27.740 -1.473 0.000 2.365 365 C HN 0.821 nan 8.230 nan 0.000 0.527 366 D N 7.378 127.642 120.400 -0.227 0.000 2.473 366 D HA 0.337 4.977 4.640 -0.000 0.000 0.226 366 D C -1.643 174.597 176.300 -0.099 0.000 1.089 366 D CA -2.042 51.874 54.000 -0.140 0.000 0.883 366 D CB 1.366 42.070 40.800 -0.160 0.000 1.029 366 D HN 0.452 nan 8.370 nan 0.000 0.517 367 P HA 0.043 nan 4.420 nan 0.000 0.257 367 P C 1.038 178.285 177.300 -0.089 0.000 1.281 367 P CA 0.087 63.134 63.100 -0.088 0.000 0.826 367 P CB 0.303 31.940 31.700 -0.105 0.000 1.237 368 M N -0.927 118.617 119.600 -0.094 0.000 2.398 368 M HA 0.047 4.526 4.480 -0.000 0.000 0.261 368 M C 1.719 177.937 176.300 -0.136 0.000 1.125 368 M CA 1.610 56.819 55.300 -0.151 0.000 1.183 368 M CB -1.682 30.740 32.600 -0.297 0.000 1.322 368 M HN 0.098 nan 8.290 nan 0.000 0.467 369 H N -0.151 118.904 119.070 -0.026 0.000 2.551 369 H HA 0.166 4.722 4.556 -0.000 0.000 0.266 369 H C 1.907 177.244 175.328 0.015 0.000 0.977 369 H CA 0.965 57.007 56.048 -0.010 0.000 1.163 369 H CB -0.159 29.573 29.762 -0.050 0.000 1.381 369 H HN 0.487 nan 8.280 nan 0.000 0.581 370 G N -0.934 107.932 108.800 0.110 0.000 3.088 370 G HA2 0.000 3.960 3.960 -0.000 0.000 0.217 370 G HA3 0.000 3.960 3.960 -0.000 0.000 0.217 370 G C 0.336 175.313 174.900 0.128 0.000 1.159 370 G CA -0.212 44.951 45.100 0.105 0.000 0.760 370 G HN 0.137 nan 8.290 nan 0.000 0.550 382 R N 1.037 121.582 120.500 0.076 0.000 2.827 382 R HA 0.287 4.627 4.340 -0.000 0.000 0.269 382 R C 1.062 177.454 176.300 0.154 0.000 1.048 382 R CA 0.565 56.735 56.100 0.116 0.000 1.173 382 R CB -0.578 29.798 30.300 0.127 0.000 1.070 382 R HN 0.958 nan 8.270 nan 0.000 0.498 383 H N -0.294 118.827 119.070 0.085 0.000 2.389 383 H HA -0.089 4.466 4.556 -0.000 0.000 0.299 383 H C 1.740 177.133 175.328 0.108 0.000 1.081 383 H CA 2.169 58.263 56.048 0.076 0.000 1.345 383 H CB 0.089 29.893 29.762 0.070 0.000 1.393 383 H HN 0.702 nan 8.280 nan 0.000 0.520 384 F N 2.017 121.948 119.950 -0.031 0.000 2.134 384 F HA -0.183 4.343 4.527 -0.000 0.000 0.299 384 F C 2.016 177.783 175.800 -0.055 0.000 1.097 384 F CA 1.611 59.570 58.000 -0.067 0.000 1.264 384 F CB -0.244 38.768 39.000 0.020 0.000 1.001 384 F HN 0.122 nan 8.300 nan 0.000 0.479 385 D N -0.078 120.369 120.400 0.078 0.000 2.178 385 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 385 D C 2.376 178.625 176.300 -0.086 0.000 0.980 385 D CA 0.972 54.971 54.000 -0.003 0.000 0.842 385 D CB -0.272 40.574 40.800 0.076 0.000 0.948 385 D HN 0.372 nan 8.370 nan 0.000 0.472 386 R N 0.139 120.585 120.500 -0.090 0.000 2.073 386 R HA 0.032 4.372 4.340 -0.000 0.000 0.229 386 R C 2.559 178.767 176.300 -0.153 0.000 1.120 386 R CA 0.509 56.556 56.100 -0.088 0.000 0.967 386 R CB -0.176 30.093 30.300 -0.051 0.000 0.862 386 R HN 0.215 nan 8.270 nan 0.000 0.436 387 I N 0.345 120.741 120.570 -0.289 0.000 2.179 387 I HA -0.274 3.895 4.170 -0.000 0.000 0.242 387 I C 2.256 178.214 176.117 -0.264 0.000 1.088 387 I CA 1.248 62.364 61.300 -0.308 0.000 1.357 387 I CB -0.229 37.517 38.000 -0.423 0.000 1.051 387 I HN -0.022 nan 8.210 nan 0.000 0.409 388 V N 0.628 120.322 119.914 -0.366 0.000 2.358 388 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 388 V C 2.153 178.184 176.094 -0.105 0.000 1.047 388 V CA 2.257 64.394 62.300 -0.271 0.000 1.035 388 V CB -0.638 30.976 31.823 -0.348 0.000 0.658 388 V HN 0.456 nan 8.190 nan 0.000 0.452 389 D N -0.078 120.273 120.400 -0.082 0.000 2.144 389 D HA -0.227 4.413 4.640 -0.000 0.000 0.199 389 D C 2.161 178.479 176.300 0.030 0.000 0.984 389 D CA 1.568 55.562 54.000 -0.010 0.000 0.834 389 D CB 0.008 40.808 40.800 0.001 0.000 0.955 389 D HN 0.580 nan 8.370 nan 0.000 0.465 390 E N -0.639 119.569 120.200 0.013 0.000 2.047 390 E HA -0.142 4.207 4.350 -0.000 0.000 0.191 390 E C 2.069 178.737 176.600 0.114 0.000 0.987 390 E CA 1.243 57.675 56.400 0.052 0.000 0.799 390 E CB 0.064 29.774 29.700 0.017 0.000 0.752 390 E HN 0.143 nan 8.360 nan 0.000 0.449 391 V N 1.048 121.015 119.914 0.088 0.000 2.295 391 V HA -0.284 3.835 4.120 -0.000 0.000 0.246 391 V C 2.566 178.893 176.094 0.388 0.000 1.049 391 V CA 2.098 64.529 62.300 0.218 0.000 1.024 391 V CB -0.854 31.062 31.823 0.155 0.000 0.648 391 V HN 0.339 nan 8.190 nan 0.000 0.447 392 Q N 1.331 121.255 119.800 0.205 0.000 2.077 392 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 392 Q C 2.170 178.303 176.000 0.223 0.000 0.989 392 Q CA 2.576 58.486 55.803 0.178 0.000 0.853 392 Q CB -1.090 27.692 28.738 0.073 0.000 0.907 392 Q HN 0.547 nan 8.270 nan 0.000 0.418 393 G N -0.633 108.273 108.800 0.177 0.000 2.422 393 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 393 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 393 G C 1.304 176.295 174.900 0.153 0.000 1.146 393 G CA 0.623 45.803 45.100 0.132 0.000 0.769 393 G HN 0.469 nan 8.290 nan 0.000 0.547 394 F N 0.858 120.850 119.950 0.069 0.000 2.091 394 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 394 F C 2.289 178.133 175.800 0.074 0.000 1.103 394 F CA 1.543 59.568 58.000 0.042 0.000 1.228 394 F CB -0.261 38.788 39.000 0.082 0.000 0.984 394 F HN 0.122 nan 8.300 nan 0.000 0.477 395 F N 1.042 121.106 119.950 0.190 0.000 2.134 395 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 395 F C 2.408 178.198 175.800 -0.017 0.000 1.097 395 F CA 1.951 59.997 58.000 0.077 0.000 1.264 395 F CB -0.793 38.282 39.000 0.124 0.000 1.001 395 F HN 0.048 nan 8.300 nan 0.000 0.479 396 E N -0.287 120.002 120.200 0.148 0.000 2.077 396 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 396 E C 2.367 178.923 176.600 -0.074 0.000 0.989 396 E CA 1.410 57.836 56.400 0.042 0.000 0.800 396 E CB -0.394 29.328 29.700 0.037 0.000 0.746 396 E HN 0.155 nan 8.360 nan 0.000 0.452 397 V N 1.399 121.204 119.914 -0.182 0.000 2.255 397 V HA -0.285 3.834 4.120 -0.000 0.000 0.247 397 V C 2.178 178.012 176.094 -0.433 0.000 1.051 397 V CA 1.967 64.057 62.300 -0.350 0.000 1.018 397 V CB -0.588 30.928 31.823 -0.513 0.000 0.641 397 V HN 0.380 nan 8.190 nan 0.000 0.445 398 H N -0.197 118.646 119.070 -0.379 0.000 2.389 398 H HA -0.030 4.526 4.556 -0.000 0.000 0.299 398 H C 2.580 177.796 175.328 -0.186 0.000 1.081 398 H CA 1.238 57.066 56.048 -0.366 0.000 1.345 398 H CB -0.112 29.333 29.762 -0.528 0.000 1.393 398 H HN 0.270 nan 8.280 nan 0.000 0.520 399 R N 0.853 121.351 120.500 -0.004 0.000 2.091 399 R HA -0.027 4.313 4.340 -0.000 0.000 0.238 399 R C 2.383 178.677 176.300 -0.011 0.000 1.136 399 R CA 1.041 57.155 56.100 0.023 0.000 0.959 399 R CB -0.967 29.365 30.300 0.053 0.000 0.856 399 R HN 0.319 nan 8.270 nan 0.000 0.437 400 A N 0.676 123.467 122.820 -0.048 0.000 1.930 400 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 400 A C 2.242 179.788 177.584 -0.062 0.000 1.175 400 A CA 0.940 52.945 52.037 -0.055 0.000 0.627 400 A CB -0.347 18.609 19.000 -0.073 0.000 0.815 400 A HN 0.207 nan 8.150 nan 0.000 0.443 401 L N -1.506 119.661 121.223 -0.093 0.000 2.509 401 L HA 0.173 4.513 4.340 -0.000 0.000 0.222 401 L C 1.697 178.548 176.870 -0.033 0.000 1.123 401 L CA 0.560 55.350 54.840 -0.083 0.000 0.856 401 L CB -0.192 41.778 42.059 -0.149 0.000 0.985 401 L HN 0.578 nan 8.230 nan 0.000 0.456 402 G N 0.906 109.699 108.800 -0.011 0.000 2.143 402 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.248 402 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.248 402 G C 0.382 175.310 174.900 0.047 0.000 0.991 402 G CA 0.490 45.602 45.100 0.020 0.000 0.689 402 G HN 0.405 nan 8.290 nan 0.000 0.522 403 T N -2.916 111.672 114.554 0.056 0.000 2.897 403 T HA 0.585 4.935 4.350 -0.000 0.000 0.278 403 T C -0.038 174.717 174.700 0.092 0.000 0.981 403 T CA -0.320 61.847 62.100 0.111 0.000 0.973 403 T CB 2.024 70.968 68.868 0.127 0.000 1.092 403 T HN 0.513 nan 8.240 nan 0.000 0.543 404 H N 2.129 121.174 119.070 -0.042 0.000 2.652 404 H HA 0.402 4.958 4.556 -0.000 0.000 0.298 404 H C -2.461 172.572 175.328 -0.493 0.000 1.076 404 H CA -2.273 53.695 56.048 -0.133 0.000 1.360 404 H CB 0.749 30.510 29.762 -0.002 0.000 1.421 404 H HN 0.309 nan 8.280 nan 0.000 0.464 405 P HA 0.129 nan 4.420 nan 0.000 0.277 405 P C 0.719 177.618 177.300 -0.668 0.000 1.354 405 P CA 0.026 62.506 63.100 -1.034 0.000 0.891 405 P CB 0.845 31.837 31.700 -1.180 0.000 1.058 406 G N 2.417 110.986 108.800 -0.386 0.000 2.603 406 G HA2 0.383 4.343 3.960 -0.000 0.000 0.214 406 G HA3 0.383 4.343 3.960 -0.000 0.000 0.214 406 G C 0.568 175.161 174.900 -0.512 0.000 1.140 406 G CA 0.394 45.300 45.100 -0.325 0.000 0.800 406 G HN 0.749 nan 8.290 nan 0.000 0.533 407 G N -0.688 107.760 108.800 -0.586 0.000 2.349 407 G HA2 0.469 4.428 3.960 -0.000 0.000 0.294 407 G HA3 0.469 4.428 3.960 -0.000 0.000 0.294 407 G C -1.589 173.004 174.900 -0.512 0.000 1.380 407 G CA -0.413 44.050 45.100 -1.062 0.000 0.811 407 G HN 0.736 nan 8.290 nan 0.000 0.519 408 I N -2.502 117.830 120.570 -0.397 0.000 2.828 408 I HA 0.789 4.959 4.170 -0.000 0.000 0.302 408 I C -1.048 174.984 176.117 -0.141 0.000 1.101 408 I CA -1.138 60.059 61.300 -0.172 0.000 1.031 408 I CB 2.679 40.697 38.000 0.031 0.000 1.231 408 I HN 0.674 nan 8.210 nan 0.000 0.427 409 H N 4.395 123.342 119.070 -0.205 0.000 2.800 409 H HA 0.711 5.267 4.556 -0.000 0.000 0.322 409 H C -1.318 173.924 175.328 -0.143 0.000 0.979 409 H CA -0.763 55.162 56.048 -0.205 0.000 1.277 409 H CB 1.626 31.209 29.762 -0.298 0.000 1.484 409 H HN 0.699 nan 8.280 nan 0.000 0.512 410 V N 1.602 121.607 119.914 0.152 0.000 2.960 410 V HA 0.603 4.723 4.120 -0.000 0.000 0.315 410 V C -0.514 175.647 176.094 0.112 0.000 1.087 410 V CA -0.921 61.430 62.300 0.086 0.000 0.982 410 V CB 2.261 34.103 31.823 0.032 0.000 1.039 410 V HN 0.769 nan 8.190 nan 0.000 0.437 411 E N 2.549 122.785 120.200 0.060 0.000 2.222 411 E HA 0.644 4.994 4.350 -0.000 0.000 0.267 411 E C -1.313 175.317 176.600 0.049 0.000 0.884 411 E CA -0.667 55.772 56.400 0.066 0.000 0.764 411 E CB 2.789 32.516 29.700 0.044 0.000 1.169 411 E HN 0.690 nan 8.360 nan 0.000 0.413 412 I N 2.315 122.917 120.570 0.052 0.000 2.377 412 I HA 0.283 4.453 4.170 -0.000 0.000 0.293 412 I C 0.427 176.575 176.117 0.053 0.000 0.987 412 I CA -0.416 60.910 61.300 0.044 0.000 1.185 412 I CB 1.541 39.555 38.000 0.024 0.000 1.341 412 I HN 0.551 nan 8.210 nan 0.000 0.455 444 L N 2.907 124.213 121.223 0.139 0.000 2.406 444 L HA 0.610 4.950 4.340 -0.000 0.000 0.272 444 L C -0.035 176.890 176.870 0.091 0.000 0.980 444 L CA -0.650 54.274 54.840 0.140 0.000 0.831 444 L CB 2.039 44.167 42.059 0.115 0.000 1.253 444 L HN 1.064 nan 8.230 nan 0.000 0.406 445 N N 1.322 120.071 118.700 0.082 0.000 2.364 445 N HA 0.254 4.994 4.740 -0.000 0.000 0.264 445 N C 0.639 176.166 175.510 0.030 0.000 1.263 445 N CA 0.020 53.099 53.050 0.048 0.000 0.959 445 N CB 0.094 38.604 38.487 0.039 0.000 1.204 445 N HN 0.513 nan 8.380 nan 0.000 0.550 446 T N -0.728 113.829 114.554 0.005 0.000 2.746 446 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 446 T C 1.544 176.210 174.700 -0.057 0.000 1.039 446 T CA 1.689 63.771 62.100 -0.030 0.000 1.142 446 T CB -0.429 68.411 68.868 -0.047 0.000 0.866 446 T HN 0.675 nan 8.240 nan 0.000 0.444 447 Q N 0.737 120.522 119.800 -0.024 0.000 2.084 447 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 447 Q C 2.311 178.294 176.000 -0.028 0.000 0.978 447 Q CA 1.489 57.283 55.803 -0.015 0.000 0.844 447 Q CB -0.108 28.693 28.738 0.105 0.000 0.898 447 Q HN 0.583 nan 8.270 nan 0.000 0.426 448 Q N -0.353 119.457 119.800 0.017 0.000 2.167 448 Q HA -0.124 4.215 4.340 -0.000 0.000 0.202 448 Q C 2.257 178.347 176.000 0.149 0.000 0.970 448 Q CA 1.517 57.364 55.803 0.074 0.000 0.855 448 Q CB 0.039 28.848 28.738 0.118 0.000 0.911 448 Q HN 0.503 nan 8.270 nan 0.000 0.438 449 S N 0.421 116.156 115.700 0.058 0.000 2.406 449 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 449 S C 1.891 176.474 174.600 -0.029 0.000 1.020 449 S CA 0.586 58.807 58.200 0.035 0.000 0.965 449 S CB -0.250 62.955 63.200 0.008 0.000 0.798 449 S HN 0.238 nan 8.310 nan 0.000 0.488 450 L N 2.146 123.285 121.223 -0.139 0.000 2.017 450 L HA 0.036 4.376 4.340 -0.000 0.000 0.208 450 L C 2.499 179.279 176.870 -0.150 0.000 1.073 450 L CA 1.868 56.550 54.840 -0.263 0.000 0.745 450 L CB -1.079 40.593 42.059 -0.646 0.000 0.894 450 L HN 0.361 nan 8.230 nan 0.000 0.432 451 E N -0.895 119.219 120.200 -0.144 0.000 2.085 451 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 451 E C 2.121 178.799 176.600 0.129 0.000 0.994 451 E CA 1.438 57.773 56.400 -0.107 0.000 0.801 451 E CB -0.356 29.404 29.700 0.101 0.000 0.743 451 E HN 0.360 nan 8.360 nan 0.000 0.453 452 L N 0.888 122.237 121.223 0.210 0.000 2.083 452 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 452 L C 2.171 179.084 176.870 0.072 0.000 1.083 452 L CA 1.859 56.785 54.840 0.143 0.000 0.752 452 L CB -0.513 41.597 42.059 0.086 0.000 0.899 452 L HN 0.030 nan 8.230 nan 0.000 0.433 453 A N -1.042 121.792 122.820 0.024 0.000 1.902 453 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 453 A C 2.121 179.654 177.584 -0.085 0.000 1.181 453 A CA 1.829 53.835 52.037 -0.052 0.000 0.623 453 A CB -1.065 17.854 19.000 -0.134 0.000 0.818 453 A HN 0.441 nan 8.150 nan 0.000 0.443 454 F N 0.064 119.974 119.950 -0.067 0.000 2.134 454 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 454 F C 2.137 177.987 175.800 0.083 0.000 1.097 454 F CA 1.539 59.541 58.000 0.003 0.000 1.264 454 F CB -0.365 38.576 39.000 -0.099 0.000 1.001 454 F HN 0.101 nan 8.300 nan 0.000 0.479 455 L N -1.068 120.318 121.223 0.273 0.000 2.093 455 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 455 L C 2.249 179.132 176.870 0.023 0.000 1.085 455 L CA 0.586 55.543 54.840 0.194 0.000 0.755 455 L CB -0.732 41.444 42.059 0.194 0.000 0.904 455 L HN -0.042 nan 8.230 nan 0.000 0.435 456 V N -0.015 119.887 119.914 -0.020 0.000 2.548 456 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 456 V C 2.738 178.705 176.094 -0.212 0.000 1.055 456 V CA 1.512 63.729 62.300 -0.137 0.000 1.065 456 V CB -0.730 31.089 31.823 -0.007 0.000 0.681 456 V HN 0.443 nan 8.190 nan 0.000 0.462 457 A N -0.094 122.654 122.820 -0.120 0.000 1.908 457 A HA -0.253 4.066 4.320 -0.000 0.000 0.218 457 A C 2.178 179.715 177.584 -0.078 0.000 1.181 457 A CA 1.926 53.896 52.037 -0.112 0.000 0.627 457 A CB -0.429 18.535 19.000 -0.060 0.000 0.818 457 A HN 0.622 nan 8.150 nan 0.000 0.445 458 E N -0.636 119.550 120.200 -0.023 0.000 2.077 458 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 458 E C 2.073 178.596 176.600 -0.128 0.000 0.989 458 E CA 1.486 57.873 56.400 -0.021 0.000 0.800 458 E CB -0.299 29.424 29.700 0.038 0.000 0.746 458 E HN 0.688 nan 8.360 nan 0.000 0.452 459 M N 0.384 119.821 119.600 -0.273 0.000 2.159 459 M HA -0.151 4.328 4.480 -0.000 0.000 0.263 459 M C 2.208 178.224 176.300 -0.472 0.000 1.063 459 M CA 1.193 56.196 55.300 -0.496 0.000 1.110 459 M CB -0.180 31.817 32.600 -1.005 0.000 1.374 459 M HN 0.097 nan 8.290 nan 0.000 0.411 460 L N -0.630 120.363 121.223 -0.383 0.000 2.275 460 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 460 L C 2.394 179.229 176.870 -0.059 0.000 1.119 460 L CA 0.849 55.607 54.840 -0.137 0.000 0.790 460 L CB -0.400 41.543 42.059 -0.194 0.000 0.919 460 L HN 0.245 nan 8.230 nan 0.000 0.443 461 R N 0.392 120.845 120.500 -0.078 0.000 2.147 461 R HA 0.200 4.539 4.340 -0.000 0.000 0.209 461 R C 0.564 176.854 176.300 -0.016 0.000 1.129 461 R CA 1.308 57.383 56.100 -0.041 0.000 0.914 461 R CB -0.544 29.738 30.300 -0.031 0.000 0.771 461 R HN 0.329 nan 8.270 nan 0.000 0.474 462 D N 0.000 120.390 120.400 -0.016 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 nan 54.000 nan 0.000 0.868 462 D CB 0.000 nan 40.800 nan 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683