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 1wiy_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRLSXXXXX XXXXXXXXDP LAVLLEWGRA HPRLFLPLPX FPLALIFDPE DATA SEQUENCE GVEGALLAEG TTKATFQYRA LSRLTGRGLL TDWGKSWKEA RKALKDPFLP DATA SEQUENCE KSVRGYREAM EEEAWAFFGE WRGEERDLDH EMLALSLRLL GRALFGKPLS DATA SEQUENCE PSLAEHALKA LDRIMAQTXX XXXXXDLAAE ARFRKDRGAL YREAEALIVH DATA SEQUENCE PPLSHLPRER ALSEAVTLLV AGHETVASAL TWSFLLLSHR PDWQKRVAES DATA SEQUENCE EEAALAAFQE ALRLYPPAWI LTRRLERPLL LGEDRLPQGT TLVLSPYVTQ DATA SEQUENCE RLYFPEGEAF QPERFLXXRG TPSGRYFPFG LGQRLCLGRD FALLEGPIVL DATA SEQUENCE RAFFRRFRLD PLPFPRVLAQ VTLRPEGGLP ARPRE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.263 176.300 -0.062 0.000 1.140 1 M CA 0.000 55.270 55.300 -0.049 0.000 0.988 1 M CB 0.000 32.563 32.600 -0.062 0.000 1.302 2 K N 1.595 121.943 120.400 -0.085 0.000 2.350 2 K HA 0.401 4.721 4.320 0.001 0.000 0.279 2 K C -0.967 175.551 176.600 -0.137 0.000 1.027 2 K CA 0.105 56.291 56.287 -0.169 0.000 0.969 2 K CB 0.915 33.165 32.500 -0.417 0.000 0.954 2 K HN 0.678 nan 8.250 nan 0.000 0.474 3 R N 4.787 125.223 120.500 -0.107 0.000 2.310 3 R HA 0.320 4.661 4.340 0.001 0.000 0.324 3 R C -1.231 175.001 176.300 -0.113 0.000 0.955 3 R CA -0.903 55.177 56.100 -0.032 0.000 0.830 3 R CB 0.592 30.905 30.300 0.021 0.000 1.154 3 R HN 0.580 nan 8.270 nan 0.000 0.458 4 L N 4.975 126.099 121.223 -0.166 0.000 2.268 4 L HA 0.249 4.589 4.340 0.001 0.000 0.289 4 L C 0.005 176.789 176.870 -0.143 0.000 1.064 4 L CA 0.170 54.881 54.840 -0.216 0.000 0.824 4 L CB 1.011 42.852 42.059 -0.363 0.000 1.202 4 L HN 0.754 nan 8.230 nan 0.000 0.433 20 P HA -0.133 nan 4.420 nan 0.000 0.218 20 P C 1.701 178.890 177.300 -0.185 0.000 1.148 20 P CA 0.582 63.599 63.100 -0.139 0.000 0.822 20 P CB 0.488 32.188 31.700 0.001 0.000 0.784 21 L N -0.310 120.730 121.223 -0.304 0.000 2.042 21 L HA -0.174 4.167 4.340 0.001 0.000 0.210 21 L C 2.823 179.606 176.870 -0.145 0.000 1.076 21 L CA 1.727 56.386 54.840 -0.302 0.000 0.749 21 L CB -1.200 40.506 42.059 -0.587 0.000 0.893 21 L HN -0.032 nan 8.230 nan 0.000 0.432 22 A N -0.454 122.266 122.820 -0.167 0.000 1.930 22 A HA -0.118 4.203 4.320 0.001 0.000 0.217 22 A C 2.312 179.781 177.584 -0.192 0.000 1.175 22 A CA 1.623 53.580 52.037 -0.134 0.000 0.627 22 A CB -0.693 18.233 19.000 -0.124 0.000 0.815 22 A HN 0.200 nan 8.150 nan 0.000 0.443 23 V N 0.227 119.970 119.914 -0.285 0.000 2.270 23 V HA -0.243 3.878 4.120 0.001 0.000 0.245 23 V C 2.564 178.267 176.094 -0.650 0.000 1.043 23 V CA 1.886 63.866 62.300 -0.533 0.000 1.014 23 V CB -0.887 30.548 31.823 -0.647 0.000 0.645 23 V HN 0.563 nan 8.190 nan 0.000 0.447 24 L N -0.732 120.267 121.223 -0.375 0.000 2.042 24 L HA -0.215 4.126 4.340 0.001 0.000 0.210 24 L C 2.499 179.283 176.870 -0.143 0.000 1.076 24 L CA 1.333 56.122 54.840 -0.084 0.000 0.749 24 L CB -0.654 41.496 42.059 0.151 0.000 0.893 24 L HN 0.331 nan 8.230 nan 0.000 0.432 25 L N 0.181 121.326 121.223 -0.130 0.000 2.046 25 L HA -0.222 4.119 4.340 0.001 0.000 0.208 25 L C 2.537 179.336 176.870 -0.117 0.000 1.077 25 L CA 1.813 56.566 54.840 -0.146 0.000 0.747 25 L CB -0.590 41.427 42.059 -0.070 0.000 0.896 25 L HN 0.289 nan 8.230 nan 0.000 0.432 26 E N -1.436 118.709 120.200 -0.092 0.000 2.077 26 E HA -0.266 4.084 4.350 0.001 0.000 0.193 26 E C 2.001 178.689 176.600 0.147 0.000 0.989 26 E CA 1.488 57.879 56.400 -0.015 0.000 0.800 26 E CB -0.297 29.382 29.700 -0.036 0.000 0.746 26 E HN 0.553 nan 8.360 nan 0.000 0.452 27 W N 0.420 121.738 121.300 0.029 0.000 2.363 27 W HA 0.034 4.694 4.660 0.001 0.000 0.296 27 W C 2.402 178.990 176.519 0.116 0.000 1.212 27 W CA 1.250 58.688 57.345 0.155 0.000 1.260 27 W CB -1.232 28.421 29.460 0.322 0.000 1.131 27 W HN 0.246 nan 8.180 nan 0.000 0.530 28 G N 0.039 108.891 108.800 0.088 0.000 2.422 28 G HA2 -0.225 3.736 3.960 0.001 0.000 0.218 28 G HA3 -0.225 3.736 3.960 0.001 0.000 0.218 28 G C 1.681 176.584 174.900 0.005 0.000 1.140 28 G CA 0.536 45.578 45.100 -0.096 0.000 0.775 28 G HN 0.218 nan 8.290 nan 0.000 0.545 29 R N 0.202 120.680 120.500 -0.038 0.000 2.189 29 R HA 0.156 4.497 4.340 0.001 0.000 0.218 29 R C 2.711 178.965 176.300 -0.076 0.000 1.074 29 R CA 0.888 56.948 56.100 -0.066 0.000 0.991 29 R CB -0.072 30.185 30.300 -0.071 0.000 0.883 29 R HN 0.374 nan 8.270 nan 0.000 0.457 30 A N 0.387 123.141 122.820 -0.110 0.000 1.924 30 A HA 0.075 4.396 4.320 0.001 0.000 0.211 30 A C 0.398 177.678 177.584 -0.507 0.000 1.198 30 A CA 0.500 52.314 52.037 -0.372 0.000 0.657 30 A CB 0.189 18.847 19.000 -0.570 0.000 0.852 30 A HN 0.164 nan 8.150 nan 0.000 0.454 31 H N -2.022 117.148 119.070 0.167 0.000 2.895 31 H HA 0.294 4.851 4.556 0.001 0.000 0.373 31 H C -2.255 173.240 175.328 0.277 0.000 1.174 31 H CA -1.541 54.609 56.048 0.171 0.000 1.144 31 H CB 1.528 31.363 29.762 0.123 0.000 1.793 31 H HN 0.049 nan 8.280 nan 0.000 0.551 32 P HA 0.027 nan 4.420 nan 0.000 0.224 32 P C -0.108 177.374 177.300 0.302 0.000 1.157 32 P CA 0.754 64.070 63.100 0.361 0.000 0.799 32 P CB 1.273 33.118 31.700 0.241 0.000 0.809 33 R N -1.127 119.492 120.500 0.198 0.000 2.680 33 R HA 0.679 5.020 4.340 0.001 0.000 0.269 33 R C -1.310 174.985 176.300 -0.008 0.000 1.026 33 R CA -0.856 55.260 56.100 0.027 0.000 0.889 33 R CB 1.500 31.787 30.300 -0.022 0.000 1.241 33 R HN -0.156 nan 8.270 nan 0.000 0.463 34 L N 1.504 122.667 121.223 -0.100 0.000 2.455 34 L HA 0.507 4.848 4.340 0.001 0.000 0.264 34 L C -1.282 175.532 176.870 -0.095 0.000 0.968 34 L CA -0.420 54.321 54.840 -0.165 0.000 0.827 34 L CB 1.733 43.613 42.059 -0.298 0.000 1.317 34 L HN 0.474 nan 8.230 nan 0.000 0.407 35 F N 3.569 123.383 119.950 -0.226 0.000 2.427 35 F HA 0.731 5.258 4.527 0.001 0.000 0.346 35 F C -1.084 174.602 175.800 -0.190 0.000 1.120 35 F CA -0.698 57.190 58.000 -0.187 0.000 1.033 35 F CB 1.133 40.043 39.000 -0.150 0.000 1.126 35 F HN 0.207 nan 8.300 nan 0.000 0.462 36 L N 8.961 129.731 121.223 -0.755 0.000 2.295 36 L HA 0.418 4.758 4.340 0.001 0.000 0.281 36 L C -2.066 174.354 176.870 -0.750 0.000 1.018 36 L CA -1.690 52.812 54.840 -0.564 0.000 0.841 36 L CB 1.345 43.181 42.059 -0.372 0.000 1.218 36 L HN 0.383 nan 8.230 nan 0.000 0.424 37 P HA 0.078 nan 4.420 nan 0.000 0.226 37 P C -0.013 177.189 177.300 -0.163 0.000 1.758 37 P CA -0.463 62.439 63.100 -0.330 0.000 0.896 37 P CB 0.078 31.750 31.700 -0.046 0.000 1.784 38 L N 2.563 123.684 121.223 -0.169 0.000 2.516 38 L HA 0.046 4.387 4.340 0.001 0.000 0.288 38 L C -0.993 175.892 176.870 0.025 0.000 1.246 38 L CA -0.480 54.344 54.840 -0.026 0.000 0.844 38 L CB -1.279 40.830 42.059 0.084 0.000 1.106 38 L HN 0.170 nan 8.230 nan 0.000 0.509 42 P HA 0.313 nan 4.420 nan 0.000 0.271 42 P C -0.805 176.154 177.300 -0.569 0.000 1.220 42 P CA 0.201 63.057 63.100 -0.407 0.000 0.768 42 P CB 1.662 33.283 31.700 -0.131 0.000 0.848 43 L N 2.294 123.098 121.223 -0.699 0.000 2.370 43 L HA 0.757 5.098 4.340 0.001 0.000 0.266 43 L C 0.007 176.615 176.870 -0.437 0.000 1.002 43 L CA -1.089 53.439 54.840 -0.520 0.000 0.818 43 L CB 2.338 44.118 42.059 -0.464 0.000 1.325 43 L HN 0.332 nan 8.230 nan 0.000 0.418 44 A N 3.654 126.362 122.820 -0.187 0.000 2.363 44 A HA 0.593 4.914 4.320 0.001 0.000 0.296 44 A C -0.923 176.586 177.584 -0.125 0.000 1.237 44 A CA -0.450 51.555 52.037 -0.053 0.000 0.773 44 A CB 0.847 19.905 19.000 0.096 0.000 1.153 44 A HN 0.495 nan 8.150 nan 0.000 0.473 45 L N 3.730 124.841 121.223 -0.186 0.000 2.278 45 L HA 0.398 4.738 4.340 0.001 0.000 0.287 45 L C -0.467 176.094 176.870 -0.514 0.000 1.072 45 L CA 0.349 54.982 54.840 -0.345 0.000 0.819 45 L CB 0.414 42.293 42.059 -0.300 0.000 1.176 45 L HN 0.600 nan 8.230 nan 0.000 0.435 46 I N 4.233 124.493 120.570 -0.516 0.000 2.382 46 I HA 0.203 4.374 4.170 0.001 0.000 0.286 46 I C 0.228 176.154 176.117 -0.319 0.000 1.002 46 I CA -0.096 60.989 61.300 -0.358 0.000 1.135 46 I CB 1.297 39.188 38.000 -0.181 0.000 1.288 46 I HN 0.477 nan 8.210 nan 0.000 0.448 47 F N 2.112 122.120 119.950 0.097 0.000 2.680 47 F HA 0.068 4.595 4.527 0.001 0.000 0.290 47 F C 1.169 176.919 175.800 -0.084 0.000 1.114 47 F CA -0.756 57.319 58.000 0.125 0.000 1.333 47 F CB 0.358 39.512 39.000 0.256 0.000 1.091 47 F HN 0.433 nan 8.300 nan 0.000 0.606 48 D N 1.919 122.312 120.400 -0.011 0.000 2.382 48 D HA 0.035 4.675 4.640 0.001 0.000 0.245 48 D C -2.258 173.812 176.300 -0.382 0.000 1.120 48 D CA -1.471 52.287 54.000 -0.404 0.000 0.890 48 D CB 1.427 42.152 40.800 -0.126 0.000 1.201 48 D HN -0.008 nan 8.370 nan 0.000 0.433 49 P HA -0.202 nan 4.420 nan 0.000 0.216 49 P C 1.142 178.323 177.300 -0.198 0.000 1.157 49 P CA 1.560 64.489 63.100 -0.285 0.000 0.880 49 P CB 0.198 31.761 31.700 -0.229 0.000 0.791 50 E N -1.052 119.053 120.200 -0.158 0.000 2.077 50 E HA -0.123 4.227 4.350 0.001 0.000 0.193 50 E C 2.295 178.822 176.600 -0.121 0.000 0.989 50 E CA 1.298 57.632 56.400 -0.112 0.000 0.800 50 E CB -0.884 28.771 29.700 -0.076 0.000 0.746 50 E HN 0.264 nan 8.360 nan 0.000 0.452 51 G N 0.612 109.334 108.800 -0.129 0.000 2.408 51 G HA2 -0.208 3.752 3.960 0.001 0.000 0.217 51 G HA3 -0.208 3.752 3.960 0.001 0.000 0.217 51 G C 1.727 176.528 174.900 -0.165 0.000 1.150 51 G CA 0.534 45.560 45.100 -0.125 0.000 0.776 51 G HN 0.115 nan 8.290 nan 0.000 0.542 52 V N 0.828 120.608 119.914 -0.223 0.000 2.332 52 V HA -0.202 3.919 4.120 0.001 0.000 0.248 52 V C 2.711 178.619 176.094 -0.310 0.000 1.055 52 V CA 2.323 64.416 62.300 -0.345 0.000 1.038 52 V CB -0.495 30.975 31.823 -0.588 0.000 0.651 52 V HN 0.482 nan 8.190 nan 0.000 0.450 53 E N 0.149 120.207 120.200 -0.237 0.000 2.077 53 E HA -0.142 4.208 4.350 0.001 0.000 0.193 53 E C 2.332 178.855 176.600 -0.129 0.000 0.989 53 E CA 1.212 57.511 56.400 -0.167 0.000 0.800 53 E CB -0.523 29.107 29.700 -0.117 0.000 0.746 53 E HN 0.645 nan 8.360 nan 0.000 0.452 54 G N 1.143 109.872 108.800 -0.119 0.000 2.418 54 G HA2 -0.254 3.706 3.960 0.001 0.000 0.217 54 G HA3 -0.254 3.706 3.960 0.001 0.000 0.217 54 G C 1.680 176.518 174.900 -0.103 0.000 1.158 54 G CA 0.852 45.895 45.100 -0.096 0.000 0.771 54 G HN 0.343 nan 8.290 nan 0.000 0.545 55 A N 0.461 123.206 122.820 -0.124 0.000 1.898 55 A HA 0.162 4.483 4.320 0.001 0.000 0.216 55 A C 2.334 179.845 177.584 -0.121 0.000 1.181 55 A CA 1.124 53.089 52.037 -0.121 0.000 0.620 55 A CB -0.331 18.590 19.000 -0.132 0.000 0.819 55 A HN 0.343 nan 8.150 nan 0.000 0.442 56 L N -0.881 120.260 121.223 -0.137 0.000 2.509 56 L HA 0.104 4.445 4.340 0.001 0.000 0.222 56 L C 1.936 178.751 176.870 -0.092 0.000 1.123 56 L CA 0.185 54.955 54.840 -0.117 0.000 0.856 56 L CB -0.114 41.868 42.059 -0.128 0.000 0.985 56 L HN 0.332 nan 8.230 nan 0.000 0.456 57 L N -0.359 120.813 121.223 -0.085 0.000 2.463 57 L HA 0.233 4.573 4.340 0.001 0.000 0.219 57 L C 1.413 178.248 176.870 -0.058 0.000 1.088 57 L CA -0.346 54.458 54.840 -0.060 0.000 0.849 57 L CB -0.133 41.896 42.059 -0.051 0.000 1.012 57 L HN 0.088 nan 8.230 nan 0.000 0.468 58 A N 1.417 124.194 122.820 -0.071 0.000 2.580 58 A HA -0.002 4.319 4.320 0.001 0.000 0.244 58 A C 0.283 177.827 177.584 -0.066 0.000 1.045 58 A CA 0.211 52.208 52.037 -0.067 0.000 0.761 58 A CB -0.123 18.829 19.000 -0.079 0.000 0.962 58 A HN 0.175 nan 8.150 nan 0.000 0.512 59 E N 1.046 121.218 120.200 -0.047 0.000 2.331 59 E HA 0.429 4.779 4.350 0.001 0.000 0.272 59 E C 1.219 177.792 176.600 -0.045 0.000 1.036 59 E CA 0.932 57.310 56.400 -0.036 0.000 0.864 59 E CB 1.240 30.932 29.700 -0.013 0.000 1.035 59 E HN 1.295 nan 8.360 nan 0.000 0.408 60 G N 2.613 111.386 108.800 -0.045 0.000 2.345 60 G HA2 -0.324 3.636 3.960 0.001 0.000 0.218 60 G HA3 -0.324 3.636 3.960 0.001 0.000 0.218 60 G C 0.669 175.503 174.900 -0.110 0.000 1.058 60 G CA 0.258 45.328 45.100 -0.050 0.000 0.632 60 G HN 0.735 nan 8.290 nan 0.000 0.508 61 T N 0.507 114.973 114.554 -0.145 0.000 2.785 61 T HA 0.461 4.812 4.350 0.001 0.000 0.341 61 T C 0.663 175.148 174.700 -0.358 0.000 1.093 61 T CA 1.729 63.698 62.100 -0.219 0.000 1.103 61 T CB 1.144 69.894 68.868 -0.196 0.000 1.011 61 T HN 1.937 nan 8.240 nan 0.000 0.549 62 T N -1.763 112.475 114.554 -0.527 0.000 2.716 62 T HA 0.518 4.869 4.350 0.001 0.000 0.286 62 T C -0.102 174.120 174.700 -0.797 0.000 1.052 62 T CA -1.203 60.294 62.100 -1.006 0.000 1.024 62 T CB 1.612 69.433 68.868 -1.744 0.000 1.349 62 T HN 0.589 nan 8.240 nan 0.000 0.525 63 K N 0.332 120.140 120.400 -0.986 0.000 2.593 63 K HA 0.456 4.776 4.320 0.001 0.000 0.208 63 K C 0.330 176.778 176.600 -0.252 0.000 1.051 63 K CA -0.371 55.680 56.287 -0.393 0.000 1.111 63 K CB 0.545 32.901 32.500 -0.241 0.000 0.849 63 K HN 0.673 nan 8.250 nan 0.000 0.479 64 A N 2.131 124.639 122.820 -0.519 0.000 3.063 64 A HA 0.092 4.412 4.320 0.001 0.000 0.263 64 A C 0.396 177.956 177.584 -0.040 0.000 1.736 64 A CA -0.094 51.849 52.037 -0.156 0.000 1.408 64 A CB -0.726 18.179 19.000 -0.158 0.000 1.108 64 A HN 0.266 nan 8.150 nan 0.000 0.621 65 T N -3.143 111.412 114.554 0.002 0.000 2.907 65 T HA 0.519 4.869 4.350 0.001 0.000 0.290 65 T C 0.792 175.483 174.700 -0.015 0.000 1.066 65 T CA -0.175 61.916 62.100 -0.015 0.000 1.012 65 T CB 0.662 69.415 68.868 -0.193 0.000 1.184 65 T HN 0.719 nan 8.240 nan 0.000 0.522 66 F N -0.090 119.911 119.950 0.086 0.000 2.202 66 F HA -0.019 4.508 4.527 0.001 0.000 0.301 66 F C 2.456 178.231 175.800 -0.041 0.000 1.082 66 F CA 1.262 59.285 58.000 0.039 0.000 1.313 66 F CB -0.667 38.382 39.000 0.081 0.000 1.024 66 F HN 0.703 nan 8.300 nan 0.000 0.495 67 Q N 0.014 119.263 119.800 -0.919 0.000 2.020 67 Q HA -0.170 4.170 4.340 0.001 0.000 0.198 67 Q C 1.974 177.671 176.000 -0.505 0.000 0.974 67 Q CA 1.826 57.159 55.803 -0.782 0.000 0.829 67 Q CB -0.602 27.408 28.738 -1.214 0.000 0.894 67 Q HN 0.633 nan 8.270 nan 0.000 0.433 68 Y N -0.477 119.715 120.300 -0.181 0.000 2.519 68 Y HA 0.016 4.566 4.550 0.001 0.000 0.287 68 Y C 2.435 178.349 175.900 0.023 0.000 1.128 68 Y CA 0.531 58.599 58.100 -0.055 0.000 1.282 68 Y CB 0.207 38.641 38.460 -0.043 0.000 1.027 68 Y HN 0.122 nan 8.280 nan 0.000 0.551 69 R N 0.860 121.434 120.500 0.124 0.000 2.062 69 R HA -0.065 4.275 4.340 0.001 0.000 0.229 69 R C 2.359 178.718 176.300 0.098 0.000 1.128 69 R CA 1.315 57.495 56.100 0.133 0.000 0.960 69 R CB -0.530 29.839 30.300 0.116 0.000 0.855 69 R HN 0.208 nan 8.270 nan 0.000 0.432 70 A N 0.736 123.592 122.820 0.060 0.000 1.902 70 A HA -0.144 4.177 4.320 0.001 0.000 0.217 70 A C 2.021 179.647 177.584 0.069 0.000 1.181 70 A CA 1.477 53.539 52.037 0.042 0.000 0.623 70 A CB -0.761 18.257 19.000 0.030 0.000 0.818 70 A HN 0.381 nan 8.150 nan 0.000 0.443 71 L N 1.032 122.307 121.223 0.086 0.000 2.083 71 L HA -0.138 4.202 4.340 0.001 0.000 0.209 71 L C 2.644 179.619 176.870 0.175 0.000 1.083 71 L CA 2.696 57.618 54.840 0.137 0.000 0.752 71 L CB -0.705 41.452 42.059 0.163 0.000 0.899 71 L HN 0.512 nan 8.230 nan 0.000 0.433 72 S N -1.033 114.769 115.700 0.170 0.000 2.465 72 S HA -0.210 4.261 4.470 0.001 0.000 0.241 72 S C 2.040 176.741 174.600 0.168 0.000 1.000 72 S CA 0.810 59.110 58.200 0.166 0.000 0.964 72 S CB -0.715 62.577 63.200 0.153 0.000 0.763 72 S HN 0.565 nan 8.310 nan 0.000 0.512 73 R N -0.164 120.438 120.500 0.170 0.000 2.189 73 R HA 0.092 4.432 4.340 0.001 0.000 0.223 73 R C 2.084 178.607 176.300 0.371 0.000 1.092 73 R CA 1.250 57.476 56.100 0.210 0.000 0.989 73 R CB -0.363 30.000 30.300 0.105 0.000 0.876 73 R HN 0.467 nan 8.270 nan 0.000 0.457 74 L N -0.359 121.080 121.223 0.360 0.000 2.349 74 L HA 0.013 4.354 4.340 0.001 0.000 0.200 74 L C 2.160 179.226 176.870 0.327 0.000 1.064 74 L CA 1.684 56.742 54.840 0.363 0.000 0.821 74 L CB -0.201 42.056 42.059 0.330 0.000 1.027 74 L HN 0.064 nan 8.230 nan 0.000 0.476 75 T N -2.939 111.768 114.554 0.256 0.000 3.067 75 T HA 0.449 4.800 4.350 0.001 0.000 0.257 75 T C 1.237 176.080 174.700 0.240 0.000 1.105 75 T CA 0.463 62.703 62.100 0.234 0.000 1.104 75 T CB -0.512 68.456 68.868 0.167 0.000 0.925 75 T HN 0.733 nan 8.240 nan 0.000 0.498 76 G N 1.956 110.874 108.800 0.196 0.000 2.562 76 G HA2 -0.297 3.664 3.960 0.001 0.000 0.250 76 G HA3 -0.297 3.664 3.960 0.001 0.000 0.250 76 G C -0.285 174.681 174.900 0.111 0.000 1.269 76 G CA -0.190 44.989 45.100 0.132 0.000 0.919 76 G HN 0.745 nan 8.290 nan 0.000 0.574 77 R N 1.244 121.789 120.500 0.075 0.000 2.248 77 R HA 0.521 4.862 4.340 0.001 0.000 0.337 77 R C 0.723 177.066 176.300 0.071 0.000 1.106 77 R CA 0.697 56.826 56.100 0.048 0.000 0.959 77 R CB -0.490 29.809 30.300 -0.000 0.000 1.075 77 R HN 1.093 nan 8.270 nan 0.000 0.480 78 G N 1.861 110.715 108.800 0.091 0.000 3.015 78 G HA2 0.226 4.186 3.960 0.001 0.000 0.281 78 G HA3 0.226 4.186 3.960 0.001 0.000 0.281 78 G C 0.616 175.591 174.900 0.125 0.000 1.386 78 G CA -0.761 44.399 45.100 0.101 0.000 0.959 78 G HN 0.499 nan 8.290 nan 0.000 0.522 79 L N -0.425 120.878 121.223 0.133 0.000 2.129 79 L HA -0.074 4.267 4.340 0.001 0.000 0.212 79 L C 2.709 179.670 176.870 0.152 0.000 1.087 79 L CA 0.964 55.928 54.840 0.206 0.000 0.757 79 L CB -0.235 41.907 42.059 0.138 0.000 0.896 79 L HN 0.375 nan 8.230 nan 0.000 0.434 80 L N -0.868 120.395 121.223 0.066 0.000 2.179 80 L HA -0.101 4.239 4.340 0.001 0.000 0.208 80 L C 2.465 179.239 176.870 -0.161 0.000 1.096 80 L CA 1.546 56.364 54.840 -0.037 0.000 0.779 80 L CB -0.291 41.798 42.059 0.049 0.000 0.922 80 L HN 0.422 nan 8.230 nan 0.000 0.443 81 T N -5.684 108.872 114.554 0.004 0.000 3.014 81 T HA 0.064 4.414 4.350 0.001 0.000 0.250 81 T C 0.592 175.386 174.700 0.157 0.000 1.060 81 T CA -0.372 61.767 62.100 0.064 0.000 1.040 81 T CB 0.195 69.161 68.868 0.162 0.000 0.971 81 T HN -0.028 nan 8.240 nan 0.000 0.497 82 D N 1.077 121.547 120.400 0.118 0.000 2.423 82 D HA 0.536 5.177 4.640 0.001 0.000 0.255 82 D C -0.524 175.906 176.300 0.217 0.000 1.174 82 D CA -0.542 53.517 54.000 0.097 0.000 1.008 82 D CB 0.940 41.806 40.800 0.110 0.000 1.101 82 D HN 0.573 nan 8.370 nan 0.000 0.516 83 W N -0.362 120.952 121.300 0.023 0.000 2.937 83 W HA 0.568 5.228 4.660 0.000 0.000 0.360 83 W C -0.080 176.514 176.519 0.124 0.000 1.215 83 W CA -0.380 56.928 57.345 -0.062 0.000 1.183 83 W CB -0.020 29.331 29.460 -0.182 0.000 1.458 83 W HN 0.806 nan 8.180 nan 0.000 0.574 84 G N 1.133 110.176 108.800 0.405 0.000 2.645 84 G HA2 -0.302 3.658 3.960 0.001 0.000 0.239 84 G HA3 -0.302 3.658 3.960 0.001 0.000 0.239 84 G C 0.571 175.642 174.900 0.286 0.000 1.331 84 G CA 0.257 45.533 45.100 0.293 0.000 0.890 84 G HN 0.931 nan 8.290 nan 0.000 0.572 85 K N 0.365 120.856 120.400 0.152 0.000 2.103 85 K HA -0.114 4.206 4.320 0.001 0.000 0.207 85 K C 3.074 179.707 176.600 0.055 0.000 1.048 85 K CA 2.222 58.567 56.287 0.096 0.000 0.930 85 K CB -0.359 32.170 32.500 0.049 0.000 0.716 85 K HN 0.681 nan 8.250 nan 0.000 0.444 86 S N 0.565 116.285 115.700 0.034 0.000 2.382 86 S HA -0.204 4.267 4.470 0.001 0.000 0.228 86 S C 1.790 176.413 174.600 0.039 0.000 1.027 86 S CA 0.867 59.070 58.200 0.004 0.000 0.991 86 S CB -0.635 62.540 63.200 -0.041 0.000 0.823 86 S HN 0.579 nan 8.310 nan 0.000 0.469 87 W N 2.845 124.117 121.300 -0.047 0.000 2.378 87 W HA 0.026 4.686 4.660 0.001 0.000 0.313 87 W C 2.318 178.838 176.519 0.002 0.000 1.197 87 W CA 1.439 58.775 57.345 -0.015 0.000 1.304 87 W CB -0.520 28.951 29.460 0.019 0.000 1.148 87 W HN 0.243 nan 8.180 nan 0.000 0.494 88 K N 0.165 120.320 120.400 -0.409 0.000 2.059 88 K HA -0.264 4.056 4.320 0.001 0.000 0.212 88 K C 1.860 178.168 176.600 -0.487 0.000 1.050 88 K CA 2.111 57.957 56.287 -0.735 0.000 0.927 88 K CB -0.321 32.057 32.500 -0.203 0.000 0.714 88 K HN 0.084 nan 8.250 nan 0.000 0.447 89 E N 0.016 120.065 120.200 -0.253 0.000 2.152 89 E HA -0.108 4.243 4.350 0.001 0.000 0.192 89 E C 1.906 178.409 176.600 -0.162 0.000 0.983 89 E CA 1.064 57.365 56.400 -0.165 0.000 0.818 89 E CB -0.193 29.456 29.700 -0.085 0.000 0.758 89 E HN 0.454 nan 8.360 nan 0.000 0.467 90 A N 1.373 124.084 122.820 -0.181 0.000 1.930 90 A HA -0.163 4.157 4.320 0.001 0.000 0.217 90 A C 2.231 179.717 177.584 -0.163 0.000 1.175 90 A CA 1.613 53.578 52.037 -0.121 0.000 0.627 90 A CB -0.412 18.547 19.000 -0.069 0.000 0.815 90 A HN 0.151 nan 8.150 nan 0.000 0.443 91 R N 0.046 120.338 120.500 -0.348 0.000 2.075 91 R HA -0.102 4.239 4.340 0.001 0.000 0.232 91 R C 2.001 178.186 176.300 -0.192 0.000 1.126 91 R CA 1.818 57.724 56.100 -0.322 0.000 0.963 91 R CB -0.236 29.690 30.300 -0.623 0.000 0.858 91 R HN 0.486 nan 8.270 nan 0.000 0.435 92 K N -0.178 120.096 120.400 -0.210 0.000 2.097 92 K HA -0.069 4.252 4.320 0.001 0.000 0.206 92 K C 2.044 178.623 176.600 -0.035 0.000 1.049 92 K CA 1.324 57.545 56.287 -0.111 0.000 0.933 92 K CB -0.104 32.327 32.500 -0.114 0.000 0.717 92 K HN 0.252 nan 8.250 nan 0.000 0.442 93 A N 0.871 123.676 122.820 -0.026 0.000 2.015 93 A HA -0.061 4.259 4.320 0.001 0.000 0.219 93 A C 1.812 179.441 177.584 0.076 0.000 1.163 93 A CA 1.135 53.197 52.037 0.041 0.000 0.646 93 A CB -0.245 18.782 19.000 0.045 0.000 0.806 93 A HN 0.179 nan 8.150 nan 0.000 0.448 94 L N -0.755 120.503 121.223 0.058 0.000 2.693 94 L HA 0.061 4.402 4.340 0.001 0.000 0.235 94 L C 2.129 179.123 176.870 0.206 0.000 1.127 94 L CA 0.575 55.486 54.840 0.118 0.000 0.914 94 L CB 0.010 42.142 42.059 0.123 0.000 1.193 94 L HN 0.519 nan 8.230 nan 0.000 0.502 95 K N -0.583 119.901 120.400 0.139 0.000 2.148 95 K HA -0.141 4.179 4.320 0.001 0.000 0.204 95 K C 1.037 177.749 176.600 0.187 0.000 1.050 95 K CA 1.326 57.723 56.287 0.184 0.000 0.942 95 K CB -0.143 32.403 32.500 0.076 0.000 0.724 95 K HN 0.012 nan 8.250 nan 0.000 0.446 96 D N 2.072 122.533 120.400 0.101 0.000 2.126 96 D HA -0.149 4.491 4.640 0.001 0.000 0.190 96 D C -0.740 175.565 176.300 0.009 0.000 1.001 96 D CA 1.533 55.564 54.000 0.051 0.000 0.841 96 D CB -1.367 39.455 40.800 0.037 0.000 0.949 96 D HN 0.320 nan 8.370 nan 0.000 0.446 97 P HA -0.099 nan 4.420 nan 0.000 0.228 97 P C 0.839 177.974 177.300 -0.275 0.000 1.151 97 P CA 0.869 63.847 63.100 -0.203 0.000 0.770 97 P CB -0.197 31.259 31.700 -0.406 0.000 0.786 98 F N -0.886 119.119 119.950 0.092 0.000 2.695 98 F HA 0.224 4.752 4.527 0.001 0.000 0.303 98 F C 1.448 177.290 175.800 0.070 0.000 1.091 98 F CA -0.446 57.623 58.000 0.114 0.000 1.300 98 F CB -0.177 38.857 39.000 0.057 0.000 1.071 98 F HN -0.276 nan 8.300 nan 0.000 0.578 99 L N 1.541 122.849 121.223 0.143 0.000 2.452 99 L HA 0.079 4.419 4.340 0.001 0.000 0.267 99 L C -1.092 175.792 176.870 0.024 0.000 1.188 99 L CA -1.610 53.274 54.840 0.074 0.000 0.821 99 L CB 0.277 42.356 42.059 0.032 0.000 1.102 99 L HN -0.141 nan 8.230 nan 0.000 0.470 100 P HA -0.244 nan 4.420 nan 0.000 0.216 100 P C 1.395 178.658 177.300 -0.062 0.000 1.157 100 P CA 1.413 64.507 63.100 -0.010 0.000 0.880 100 P CB 0.123 31.824 31.700 0.002 0.000 0.791 101 K N -0.461 119.901 120.400 -0.063 0.000 2.032 101 K HA -0.130 4.191 4.320 0.001 0.000 0.209 101 K C 2.072 178.566 176.600 -0.177 0.000 1.048 101 K CA 2.062 58.292 56.287 -0.094 0.000 0.927 101 K CB -0.467 31.995 32.500 -0.064 0.000 0.712 101 K HN 0.017 nan 8.250 nan 0.000 0.441 102 S N 0.519 116.097 115.700 -0.203 0.000 2.368 102 S HA -0.114 4.356 4.470 0.001 0.000 0.225 102 S C 2.001 176.118 174.600 -0.805 0.000 1.030 102 S CA 1.345 59.316 58.200 -0.382 0.000 0.999 102 S CB -0.217 62.836 63.200 -0.246 0.000 0.844 102 S HN 0.143 nan 8.310 nan 0.000 0.459 103 V N 2.330 121.939 119.914 -0.507 0.000 2.343 103 V HA -0.184 3.937 4.120 0.001 0.000 0.247 103 V C 2.451 178.304 176.094 -0.401 0.000 1.051 103 V CA 1.625 63.650 62.300 -0.458 0.000 1.036 103 V CB -0.653 31.136 31.823 -0.057 0.000 0.654 103 V HN 0.407 nan 8.190 nan 0.000 0.451 104 R N 0.276 120.619 120.500 -0.263 0.000 2.127 104 R HA -0.119 4.221 4.340 0.001 0.000 0.238 104 R C 2.288 178.473 176.300 -0.192 0.000 1.134 104 R CA 1.381 57.378 56.100 -0.172 0.000 0.975 104 R CB -0.711 29.520 30.300 -0.115 0.000 0.865 104 R HN 0.593 nan 8.270 nan 0.000 0.447 105 G N -0.712 107.903 108.800 -0.308 0.000 2.679 105 G HA2 -0.179 3.781 3.960 0.001 0.000 0.212 105 G HA3 -0.179 3.781 3.960 0.001 0.000 0.212 105 G C 0.883 175.714 174.900 -0.114 0.000 1.137 105 G CA 0.102 45.066 45.100 -0.226 0.000 0.787 105 G HN 0.402 nan 8.290 nan 0.000 0.534 106 Y N -0.717 119.530 120.300 -0.088 0.000 2.500 106 Y HA 0.118 4.669 4.550 0.001 0.000 0.270 106 Y C 2.700 178.531 175.900 -0.115 0.000 1.134 106 Y CA -0.068 57.964 58.100 -0.113 0.000 1.293 106 Y CB 0.195 38.543 38.460 -0.187 0.000 1.063 106 Y HN 0.118 nan 8.280 nan 0.000 0.534 107 R N 1.772 122.284 120.500 0.020 0.000 2.168 107 R HA -0.264 4.076 4.340 0.001 0.000 0.242 107 R C 1.687 177.986 176.300 -0.002 0.000 1.123 107 R CA 2.504 58.597 56.100 -0.013 0.000 0.928 107 R CB -0.547 29.735 30.300 -0.030 0.000 0.873 107 R HN 0.342 nan 8.270 nan 0.000 0.434 108 E N -0.621 119.579 120.200 0.002 0.000 2.085 108 E HA -0.210 4.141 4.350 0.001 0.000 0.194 108 E C 2.002 178.610 176.600 0.013 0.000 0.994 108 E CA 1.318 57.717 56.400 -0.001 0.000 0.801 108 E CB -0.262 29.434 29.700 -0.007 0.000 0.743 108 E HN 0.569 nan 8.360 nan 0.000 0.453 109 A N 1.091 123.927 122.820 0.026 0.000 1.877 109 A HA -0.200 4.121 4.320 0.001 0.000 0.216 109 A C 2.172 179.765 177.584 0.015 0.000 1.186 109 A CA 1.459 53.511 52.037 0.026 0.000 0.620 109 A CB -0.464 18.552 19.000 0.027 0.000 0.822 109 A HN 0.141 nan 8.150 nan 0.000 0.443 110 M N -1.017 118.579 119.600 -0.007 0.000 2.086 110 M HA -0.186 4.294 4.480 0.001 0.000 0.261 110 M C 2.119 178.424 176.300 0.009 0.000 1.067 110 M CA 1.823 57.103 55.300 -0.033 0.000 1.116 110 M CB -0.479 32.069 32.600 -0.086 0.000 1.348 110 M HN 0.497 nan 8.290 nan 0.000 0.407 111 E N 0.029 120.245 120.200 0.026 0.000 2.085 111 E HA -0.254 4.097 4.350 0.001 0.000 0.194 111 E C 1.899 178.578 176.600 0.131 0.000 0.994 111 E CA 1.383 57.823 56.400 0.066 0.000 0.801 111 E CB -0.120 29.601 29.700 0.034 0.000 0.743 111 E HN 0.507 nan 8.360 nan 0.000 0.453 112 E N 0.745 121.011 120.200 0.111 0.000 2.072 112 E HA -0.251 4.099 4.350 0.001 0.000 0.191 112 E C 1.981 178.741 176.600 0.267 0.000 0.985 112 E CA 1.149 57.672 56.400 0.204 0.000 0.801 112 E CB 0.107 29.882 29.700 0.124 0.000 0.750 112 E HN 0.023 nan 8.360 nan 0.000 0.452 113 E N 0.427 120.705 120.200 0.129 0.000 2.051 113 E HA -0.147 4.203 4.350 0.001 0.000 0.192 113 E C 1.739 178.358 176.600 0.031 0.000 0.991 113 E CA 1.558 57.999 56.400 0.068 0.000 0.799 113 E CB -0.342 29.360 29.700 0.003 0.000 0.748 113 E HN 0.356 nan 8.360 nan 0.000 0.449 114 A N -0.137 122.698 122.820 0.025 0.000 1.898 114 A HA -0.151 4.170 4.320 0.001 0.000 0.216 114 A C 2.145 179.758 177.584 0.049 0.000 1.181 114 A CA 1.521 53.528 52.037 -0.050 0.000 0.620 114 A CB -1.319 17.715 19.000 0.056 0.000 0.819 114 A HN 0.623 nan 8.150 nan 0.000 0.442 115 W N 0.939 122.258 121.300 0.033 0.000 2.335 115 W HA -0.150 4.511 4.660 0.001 0.000 0.311 115 W C 2.271 178.809 176.519 0.033 0.000 1.213 115 W CA 2.242 59.630 57.345 0.071 0.000 1.274 115 W CB -0.340 29.148 29.460 0.045 0.000 1.148 115 W HN 0.326 nan 8.180 nan 0.000 0.498 116 A N -0.204 122.467 122.820 -0.250 0.000 1.933 116 A HA -0.163 4.157 4.320 0.001 0.000 0.218 116 A C 1.971 179.330 177.584 -0.375 0.000 1.175 116 A CA 1.483 53.193 52.037 -0.546 0.000 0.628 116 A CB -1.456 17.445 19.000 -0.165 0.000 0.814 116 A HN 0.493 nan 8.150 nan 0.000 0.444 117 F N -0.274 119.421 119.950 -0.425 0.000 2.075 117 F HA -0.152 4.376 4.527 0.001 0.000 0.297 117 F C 1.704 177.109 175.800 -0.658 0.000 1.113 117 F CA 1.786 59.478 58.000 -0.512 0.000 1.218 117 F CB -0.290 38.288 39.000 -0.703 0.000 0.984 117 F HN 0.223 nan 8.300 nan 0.000 0.472 118 F N 0.319 119.988 119.950 -0.467 0.000 2.615 118 F HA 0.191 4.718 4.527 0.001 0.000 0.297 118 F C 2.541 178.082 175.800 -0.432 0.000 1.124 118 F CA 0.558 58.089 58.000 -0.783 0.000 1.451 118 F CB -1.575 37.205 39.000 -0.366 0.000 1.103 118 F HN 0.022 nan 8.300 nan 0.000 0.569 119 G N 0.756 109.358 108.800 -0.330 0.000 2.469 119 G HA2 -0.283 3.677 3.960 0.001 0.000 0.220 119 G HA3 -0.283 3.677 3.960 0.001 0.000 0.220 119 G C 1.481 176.296 174.900 -0.142 0.000 1.136 119 G CA 1.136 46.010 45.100 -0.375 0.000 0.759 119 G HN 0.547 nan 8.290 nan 0.000 0.562 120 E N -1.400 118.756 120.200 -0.074 0.000 2.478 120 E HA 0.014 4.364 4.350 0.001 0.000 0.194 120 E C -0.004 176.738 176.600 0.236 0.000 1.045 120 E CA -0.653 55.776 56.400 0.049 0.000 0.868 120 E CB -0.023 29.680 29.700 0.006 0.000 0.885 120 E HN 0.363 nan 8.360 nan 0.000 0.505 121 W N 2.117 123.412 121.300 -0.008 0.000 2.251 121 W HA 0.187 4.848 4.660 0.001 0.000 0.327 121 W C 0.750 177.338 176.519 0.116 0.000 1.361 121 W CA -0.599 56.762 57.345 0.027 0.000 1.234 121 W CB 0.466 29.947 29.460 0.035 0.000 1.212 121 W HN 0.017 nan 8.180 nan 0.000 0.557 122 R N 1.831 122.457 120.500 0.210 0.000 2.659 122 R HA 0.340 4.681 4.340 0.001 0.000 0.418 122 R C 0.995 177.362 176.300 0.112 0.000 1.076 122 R CA 0.278 56.478 56.100 0.167 0.000 1.093 122 R CB 0.531 30.877 30.300 0.076 0.000 1.400 122 R HN 0.794 nan 8.270 nan 0.000 0.583 123 G N 1.378 110.225 108.800 0.079 0.000 2.176 123 G HA2 -0.277 3.684 3.960 0.001 0.000 0.232 123 G HA3 -0.277 3.684 3.960 0.001 0.000 0.232 123 G C 0.086 174.930 174.900 -0.093 0.000 0.986 123 G CA 0.106 45.208 45.100 0.002 0.000 0.643 123 G HN 0.415 nan 8.290 nan 0.000 0.522 124 E N 1.555 121.667 120.200 -0.148 0.000 2.390 124 E HA 0.322 4.672 4.350 0.001 0.000 0.261 124 E C 0.233 176.676 176.600 -0.262 0.000 1.076 124 E CA -0.334 55.954 56.400 -0.187 0.000 0.905 124 E CB 0.970 30.546 29.700 -0.207 0.000 0.984 124 E HN 0.524 nan 8.360 nan 0.000 0.427 125 E N 1.661 121.732 120.200 -0.216 0.000 2.413 125 E HA -0.007 4.343 4.350 0.001 0.000 0.263 125 E C -0.547 175.860 176.600 -0.321 0.000 1.015 125 E CA -0.020 56.243 56.400 -0.229 0.000 0.916 125 E CB 0.547 30.148 29.700 -0.164 0.000 0.947 125 E HN 0.281 nan 8.360 nan 0.000 0.440 126 R N 3.072 123.359 120.500 -0.354 0.000 2.673 126 R HA 0.155 4.496 4.340 0.001 0.000 0.281 126 R C -1.251 174.899 176.300 -0.249 0.000 0.991 126 R CA -0.843 55.008 56.100 -0.415 0.000 0.896 126 R CB 1.513 31.339 30.300 -0.790 0.000 1.201 126 R HN 0.579 nan 8.270 nan 0.000 0.457 127 D N 4.012 124.313 120.400 -0.165 0.000 2.453 127 D HA 0.096 4.737 4.640 0.001 0.000 0.223 127 D C 1.272 177.558 176.300 -0.023 0.000 1.183 127 D CA -0.153 53.792 54.000 -0.092 0.000 0.933 127 D CB 0.527 41.290 40.800 -0.062 0.000 1.038 127 D HN 0.469 nan 8.370 nan 0.000 0.513 128 L N 2.330 123.510 121.223 -0.072 0.000 2.129 128 L HA -0.202 4.138 4.340 0.001 0.000 0.212 128 L C 1.850 178.733 176.870 0.021 0.000 1.087 128 L CA 1.253 56.081 54.840 -0.020 0.000 0.757 128 L CB -0.339 41.625 42.059 -0.158 0.000 0.896 128 L HN 0.389 nan 8.230 nan 0.000 0.434 129 D N -0.489 119.880 120.400 -0.052 0.000 2.104 129 D HA -0.270 4.371 4.640 0.001 0.000 0.194 129 D C 2.119 178.421 176.300 0.004 0.000 0.994 129 D CA 1.635 55.584 54.000 -0.085 0.000 0.830 129 D CB 0.054 40.765 40.800 -0.149 0.000 0.959 129 D HN 0.369 nan 8.370 nan 0.000 0.452 130 H N -0.012 119.037 119.070 -0.035 0.000 2.326 130 H HA -0.008 4.548 4.556 0.001 0.000 0.301 130 H C 1.856 177.234 175.328 0.083 0.000 1.081 130 H CA 1.783 57.834 56.048 0.006 0.000 1.334 130 H CB 0.059 29.815 29.762 -0.010 0.000 1.385 130 H HN 0.052 nan 8.280 nan 0.000 0.504 131 E N 0.014 120.311 120.200 0.163 0.000 2.077 131 E HA -0.148 4.203 4.350 0.001 0.000 0.193 131 E C 2.118 178.822 176.600 0.174 0.000 0.989 131 E CA 0.856 57.445 56.400 0.315 0.000 0.800 131 E CB -0.152 29.919 29.700 0.619 0.000 0.746 131 E HN 0.541 nan 8.360 nan 0.000 0.452 132 M N 0.126 119.788 119.600 0.103 0.000 2.296 132 M HA -0.051 4.429 4.480 0.001 0.000 0.265 132 M C 2.350 178.622 176.300 -0.046 0.000 1.064 132 M CA 0.777 56.090 55.300 0.021 0.000 1.109 132 M CB -0.809 31.843 32.600 0.087 0.000 1.396 132 M HN 0.083 nan 8.290 nan 0.000 0.430 133 L N -0.513 120.673 121.223 -0.061 0.000 2.093 133 L HA -0.148 4.192 4.340 0.001 0.000 0.208 133 L C 2.634 179.555 176.870 0.084 0.000 1.085 133 L CA 1.095 55.909 54.840 -0.043 0.000 0.755 133 L CB -0.735 41.251 42.059 -0.120 0.000 0.904 133 L HN 0.256 nan 8.230 nan 0.000 0.435 134 A N -0.268 122.526 122.820 -0.044 0.000 1.898 134 A HA -0.189 4.131 4.320 0.001 0.000 0.216 134 A C 2.146 179.615 177.584 -0.191 0.000 1.181 134 A CA 1.368 53.386 52.037 -0.033 0.000 0.620 134 A CB -0.571 18.483 19.000 0.089 0.000 0.819 134 A HN 0.310 nan 8.150 nan 0.000 0.442 135 L N -0.239 120.676 121.223 -0.513 0.000 2.109 135 L HA -0.039 4.302 4.340 0.001 0.000 0.207 135 L C 2.530 179.207 176.870 -0.322 0.000 1.086 135 L CA 2.426 56.782 54.840 -0.806 0.000 0.760 135 L CB -0.793 40.525 42.059 -1.235 0.000 0.910 135 L HN 0.344 nan 8.230 nan 0.000 0.437 136 S N -0.866 114.756 115.700 -0.131 0.000 2.370 136 S HA -0.197 4.274 4.470 0.001 0.000 0.226 136 S C 2.046 176.677 174.600 0.053 0.000 1.033 136 S CA 1.673 59.895 58.200 0.037 0.000 1.011 136 S CB -0.496 62.806 63.200 0.169 0.000 0.852 136 S HN 0.432 nan 8.310 nan 0.000 0.457 137 L N 1.809 123.035 121.223 0.007 0.000 2.083 137 L HA 0.068 4.408 4.340 0.001 0.000 0.209 137 L C 2.516 179.338 176.870 -0.080 0.000 1.083 137 L CA 1.662 56.419 54.840 -0.137 0.000 0.752 137 L CB -0.595 41.298 42.059 -0.275 0.000 0.899 137 L HN 0.248 nan 8.230 nan 0.000 0.433 138 R N -1.000 119.449 120.500 -0.085 0.000 2.073 138 R HA -0.124 4.217 4.340 0.001 0.000 0.234 138 R C 2.249 178.524 176.300 -0.042 0.000 1.134 138 R CA 1.663 57.724 56.100 -0.064 0.000 0.952 138 R CB -0.533 29.716 30.300 -0.085 0.000 0.850 138 R HN 0.363 nan 8.270 nan 0.000 0.433 139 L N 0.347 121.541 121.223 -0.049 0.000 2.046 139 L HA -0.196 4.145 4.340 0.001 0.000 0.208 139 L C 2.421 179.336 176.870 0.076 0.000 1.077 139 L CA 0.690 55.521 54.840 -0.014 0.000 0.747 139 L CB -0.423 41.620 42.059 -0.026 0.000 0.896 139 L HN 0.169 nan 8.230 nan 0.000 0.432 140 L N 0.206 121.500 121.223 0.120 0.000 2.012 140 L HA -0.119 4.221 4.340 0.001 0.000 0.210 140 L C 2.355 179.273 176.870 0.080 0.000 1.073 140 L CA 2.221 57.147 54.840 0.144 0.000 0.748 140 L CB -1.070 41.046 42.059 0.095 0.000 0.891 140 L HN 0.164 nan 8.230 nan 0.000 0.431 141 G N -1.496 107.355 108.800 0.085 0.000 2.394 141 G HA2 -0.284 3.677 3.960 0.001 0.000 0.215 141 G HA3 -0.284 3.677 3.960 0.001 0.000 0.215 141 G C 1.722 176.653 174.900 0.051 0.000 1.165 141 G CA 0.720 45.908 45.100 0.147 0.000 0.784 141 G HN 0.314 nan 8.290 nan 0.000 0.535 142 R N 1.247 121.745 120.500 -0.004 0.000 2.080 142 R HA 0.066 4.406 4.340 0.001 0.000 0.236 142 R C 2.720 178.950 176.300 -0.118 0.000 1.137 142 R CA 2.116 58.193 56.100 -0.038 0.000 0.943 142 R CB -0.989 29.293 30.300 -0.030 0.000 0.846 142 R HN 0.234 nan 8.270 nan 0.000 0.431 143 A N 0.060 122.768 122.820 -0.186 0.000 1.872 143 A HA 0.007 4.327 4.320 0.001 0.000 0.214 143 A C 2.285 179.473 177.584 -0.660 0.000 1.187 143 A CA 1.386 53.141 52.037 -0.471 0.000 0.614 143 A CB -0.472 18.207 19.000 -0.534 0.000 0.826 143 A HN 0.345 nan 8.150 nan 0.000 0.442 144 L N -2.487 118.385 121.223 -0.585 0.000 2.341 144 L HA 0.098 4.439 4.340 0.001 0.000 0.214 144 L C 0.891 177.076 176.870 -1.141 0.000 1.115 144 L CA 0.692 54.963 54.840 -0.949 0.000 0.820 144 L CB -0.042 41.283 42.059 -1.224 0.000 0.944 144 L HN 0.444 nan 8.230 nan 0.000 0.452 145 F N -1.478 118.298 119.950 -0.289 0.000 2.817 145 F HA 0.365 4.893 4.527 0.001 0.000 0.319 145 F C 1.564 177.193 175.800 -0.285 0.000 1.136 145 F CA 0.144 57.875 58.000 -0.448 0.000 1.177 145 F CB 0.489 39.108 39.000 -0.635 0.000 1.088 145 F HN 0.001 nan 8.300 nan 0.000 0.520 146 G N 1.029 109.797 108.800 -0.054 0.000 2.205 146 G HA2 -0.324 3.637 3.960 0.001 0.000 0.269 146 G HA3 -0.324 3.637 3.960 0.001 0.000 0.269 146 G C 0.293 175.209 174.900 0.027 0.000 0.977 146 G CA 0.844 45.948 45.100 0.008 0.000 0.652 146 G HN 0.322 nan 8.290 nan 0.000 0.539 147 K N 0.185 120.599 120.400 0.024 0.000 2.550 147 K HA 0.487 4.807 4.320 0.001 0.000 0.252 147 K C -3.161 173.447 176.600 0.013 0.000 0.943 147 K CA -2.012 54.289 56.287 0.023 0.000 0.806 147 K CB 2.050 34.571 32.500 0.035 0.000 1.289 147 K HN -0.084 nan 8.250 nan 0.000 0.435 148 P HA -0.001 nan 4.420 nan 0.000 0.263 148 P C -0.207 177.075 177.300 -0.032 0.000 1.175 148 P CA 0.179 63.274 63.100 -0.009 0.000 0.761 148 P CB 0.369 32.066 31.700 -0.006 0.000 0.794 149 L N 1.659 122.851 121.223 -0.051 0.000 2.464 149 L HA 0.112 4.453 4.340 0.001 0.000 0.264 149 L C 1.163 177.973 176.870 -0.100 0.000 1.199 149 L CA -0.100 54.678 54.840 -0.102 0.000 0.818 149 L CB 0.213 42.194 42.059 -0.129 0.000 1.102 149 L HN 0.371 nan 8.230 nan 0.000 0.473 150 S N 1.944 117.580 115.700 -0.106 0.000 2.488 150 S HA 0.141 4.611 4.470 0.001 0.000 0.278 150 S C -1.538 173.010 174.600 -0.087 0.000 1.259 150 S CA -1.228 56.925 58.200 -0.079 0.000 1.061 150 S CB 0.894 64.054 63.200 -0.066 0.000 0.910 150 S HN 0.345 nan 8.310 nan 0.000 0.491 151 P HA -0.106 nan 4.420 nan 0.000 0.216 151 P C 1.676 178.928 177.300 -0.080 0.000 1.150 151 P CA 0.910 63.970 63.100 -0.067 0.000 0.843 151 P CB 0.047 31.727 31.700 -0.034 0.000 0.787 152 S N -1.121 114.532 115.700 -0.079 0.000 2.382 152 S HA -0.161 4.309 4.470 0.001 0.000 0.228 152 S C 1.764 176.314 174.600 -0.083 0.000 1.027 152 S CA 0.986 59.112 58.200 -0.124 0.000 0.991 152 S CB -1.020 62.150 63.200 -0.050 0.000 0.823 152 S HN -0.032 nan 8.310 nan 0.000 0.469 153 L N 1.751 122.958 121.223 -0.027 0.000 1.994 153 L HA 0.065 4.406 4.340 0.001 0.000 0.208 153 L C 2.514 179.372 176.870 -0.021 0.000 1.071 153 L CA 2.266 57.103 54.840 -0.004 0.000 0.745 153 L CB -1.112 40.903 42.059 -0.073 0.000 0.892 153 L HN 0.297 nan 8.230 nan 0.000 0.431 154 A N -0.793 121.981 122.820 -0.076 0.000 1.902 154 A HA -0.252 4.068 4.320 0.001 0.000 0.217 154 A C 2.230 179.832 177.584 0.030 0.000 1.181 154 A CA 1.731 53.735 52.037 -0.056 0.000 0.623 154 A CB -0.810 18.062 19.000 -0.214 0.000 0.818 154 A HN 0.597 nan 8.150 nan 0.000 0.443 155 E N -0.299 119.880 120.200 -0.035 0.000 2.085 155 E HA -0.220 4.130 4.350 0.001 0.000 0.194 155 E C 1.845 178.409 176.600 -0.060 0.000 0.994 155 E CA 1.681 58.043 56.400 -0.064 0.000 0.801 155 E CB -0.385 29.215 29.700 -0.166 0.000 0.743 155 E HN 0.707 nan 8.360 nan 0.000 0.453 156 H N -0.745 118.329 119.070 0.006 0.000 2.423 156 H HA 0.078 4.634 4.556 0.001 0.000 0.297 156 H C 1.810 177.134 175.328 -0.007 0.000 1.075 156 H CA 1.347 57.389 56.048 -0.009 0.000 1.342 156 H CB -0.296 29.448 29.762 -0.031 0.000 1.395 156 H HN 0.337 nan 8.280 nan 0.000 0.530 157 A N 0.857 123.748 122.820 0.118 0.000 1.929 157 A HA -0.044 4.276 4.320 0.001 0.000 0.216 157 A C 2.588 180.237 177.584 0.109 0.000 1.176 157 A CA 0.716 52.804 52.037 0.086 0.000 0.628 157 A CB -0.713 18.326 19.000 0.065 0.000 0.816 157 A HN 0.349 nan 8.150 nan 0.000 0.444 158 L N -0.842 120.449 121.223 0.113 0.000 2.017 158 L HA -0.156 4.184 4.340 0.001 0.000 0.208 158 L C 2.190 179.120 176.870 0.100 0.000 1.073 158 L CA 1.569 56.472 54.840 0.105 0.000 0.745 158 L CB -0.172 41.945 42.059 0.097 0.000 0.894 158 L HN 0.146 nan 8.230 nan 0.000 0.432 159 K N 0.084 120.542 120.400 0.096 0.000 2.155 159 K HA 0.006 4.326 4.320 0.001 0.000 0.203 159 K C 2.054 178.739 176.600 0.141 0.000 1.052 159 K CA 1.175 57.526 56.287 0.105 0.000 0.948 159 K CB -0.476 32.081 32.500 0.095 0.000 0.728 159 K HN 0.438 nan 8.250 nan 0.000 0.448 160 A N 1.344 124.245 122.820 0.134 0.000 1.898 160 A HA -0.078 4.242 4.320 0.001 0.000 0.216 160 A C 2.296 180.052 177.584 0.287 0.000 1.181 160 A CA 1.026 53.162 52.037 0.165 0.000 0.620 160 A CB -0.559 18.446 19.000 0.008 0.000 0.819 160 A HN 0.164 nan 8.150 nan 0.000 0.442 161 L N -0.633 120.710 121.223 0.200 0.000 2.093 161 L HA -0.203 4.137 4.340 0.001 0.000 0.208 161 L C 1.979 178.947 176.870 0.163 0.000 1.085 161 L CA 1.574 56.525 54.840 0.185 0.000 0.755 161 L CB -0.627 41.516 42.059 0.140 0.000 0.904 161 L HN 0.337 nan 8.230 nan 0.000 0.435 162 D N -0.639 119.848 120.400 0.146 0.000 2.228 162 D HA -0.223 4.417 4.640 0.001 0.000 0.203 162 D C 2.199 178.572 176.300 0.121 0.000 0.988 162 D CA 0.812 54.884 54.000 0.120 0.000 0.864 162 D CB 0.012 40.873 40.800 0.103 0.000 0.928 162 D HN 0.042 nan 8.370 nan 0.000 0.469 163 R N 0.444 121.043 120.500 0.165 0.000 2.100 163 R HA 0.049 4.389 4.340 0.001 0.000 0.220 163 R C 1.736 178.062 176.300 0.044 0.000 1.091 163 R CA 0.712 56.885 56.100 0.123 0.000 0.986 163 R CB -0.494 29.950 30.300 0.240 0.000 0.888 163 R HN 0.083 nan 8.270 nan 0.000 0.444 164 I N 0.675 121.307 120.570 0.104 0.000 2.361 164 I HA -0.181 3.989 4.170 0.001 0.000 0.251 164 I C 1.925 178.073 176.117 0.053 0.000 1.133 164 I CA 1.102 62.437 61.300 0.058 0.000 1.413 164 I CB -0.776 37.307 38.000 0.138 0.000 1.073 164 I HN 0.258 nan 8.210 nan 0.000 0.424 165 M N 0.998 120.646 119.600 0.080 0.000 2.319 165 M HA 0.028 4.508 4.480 0.001 0.000 0.265 165 M C 2.168 178.514 176.300 0.075 0.000 1.068 165 M CA 1.373 56.725 55.300 0.088 0.000 1.118 165 M CB -0.605 32.063 32.600 0.114 0.000 1.395 165 M HN 0.164 nan 8.290 nan 0.000 0.435 166 A N -0.691 122.160 122.820 0.051 0.000 1.968 166 A HA -0.154 4.167 4.320 0.001 0.000 0.217 166 A C 2.024 179.615 177.584 0.012 0.000 1.169 166 A CA 1.381 53.437 52.037 0.031 0.000 0.638 166 A CB -0.596 18.416 19.000 0.019 0.000 0.812 166 A HN 0.659 nan 8.150 nan 0.000 0.446 167 Q N -0.341 119.457 119.800 -0.004 0.000 2.378 167 Q HA 0.002 4.342 4.340 0.001 0.000 0.205 167 Q C 0.365 176.382 176.000 0.029 0.000 0.954 167 Q CA 0.761 56.554 55.803 -0.016 0.000 0.901 167 Q CB -0.112 28.593 28.738 -0.055 0.000 0.981 167 Q HN 0.578 nan 8.270 nan 0.000 0.483 177 L N 1.890 123.119 121.223 0.009 0.000 2.083 177 L HA -0.082 4.258 4.340 0.001 0.000 0.209 177 L C 2.708 179.596 176.870 0.029 0.000 1.083 177 L CA 1.615 56.465 54.840 0.017 0.000 0.752 177 L CB -0.364 41.703 42.059 0.014 0.000 0.899 177 L HN 0.424 nan 8.230 nan 0.000 0.433 178 A N 0.365 123.202 122.820 0.027 0.000 1.865 178 A HA -0.206 4.114 4.320 0.001 0.000 0.217 178 A C 2.576 180.191 177.584 0.051 0.000 1.191 178 A CA 1.953 54.011 52.037 0.035 0.000 0.623 178 A CB -0.796 18.221 19.000 0.029 0.000 0.826 178 A HN 0.393 nan 8.150 nan 0.000 0.444 179 A N -0.491 122.358 122.820 0.049 0.000 1.858 179 A HA -0.172 4.149 4.320 0.001 0.000 0.216 179 A C 1.927 179.575 177.584 0.107 0.000 1.190 179 A CA 1.777 53.856 52.037 0.069 0.000 0.617 179 A CB -0.537 18.489 19.000 0.043 0.000 0.827 179 A HN 0.466 nan 8.150 nan 0.000 0.443 180 E N 0.051 120.296 120.200 0.075 0.000 2.118 180 E HA -0.185 4.166 4.350 0.001 0.000 0.195 180 E C 2.324 179.028 176.600 0.173 0.000 0.992 180 E CA 1.248 57.713 56.400 0.109 0.000 0.804 180 E CB -0.683 29.043 29.700 0.043 0.000 0.741 180 E HN 0.590 nan 8.360 nan 0.000 0.458 181 A N 1.587 124.473 122.820 0.110 0.000 1.865 181 A HA -0.224 4.097 4.320 0.001 0.000 0.217 181 A C 2.258 179.904 177.584 0.104 0.000 1.191 181 A CA 1.902 53.994 52.037 0.092 0.000 0.623 181 A CB -0.599 18.437 19.000 0.060 0.000 0.826 181 A HN 0.174 nan 8.150 nan 0.000 0.444 182 R N -1.692 118.875 120.500 0.112 0.000 2.096 182 R HA -0.157 4.183 4.340 0.001 0.000 0.235 182 R C 1.974 178.352 176.300 0.130 0.000 1.127 182 R CA 1.718 57.882 56.100 0.106 0.000 0.968 182 R CB -0.429 29.934 30.300 0.105 0.000 0.861 182 R HN 0.545 nan 8.270 nan 0.000 0.440 183 F N 1.283 121.258 119.950 0.042 0.000 2.031 183 F HA -0.193 4.335 4.527 0.001 0.000 0.295 183 F C 2.350 178.175 175.800 0.042 0.000 1.133 183 F CA 1.697 59.727 58.000 0.049 0.000 1.188 183 F CB -0.205 38.822 39.000 0.045 0.000 0.974 183 F HN -0.105 nan 8.300 nan 0.000 0.473 184 R N 0.080 120.643 120.500 0.105 0.000 2.117 184 R HA -0.211 4.130 4.340 0.001 0.000 0.243 184 R C 2.146 178.375 176.300 -0.118 0.000 1.143 184 R CA 1.802 57.881 56.100 -0.034 0.000 0.968 184 R CB -0.349 30.005 30.300 0.090 0.000 0.863 184 R HN 0.180 nan 8.270 nan 0.000 0.444 185 K N 0.485 120.847 120.400 -0.064 0.000 2.057 185 K HA -0.102 4.219 4.320 0.001 0.000 0.206 185 K C 1.601 178.109 176.600 -0.153 0.000 1.050 185 K CA 1.475 57.715 56.287 -0.078 0.000 0.935 185 K CB -0.209 32.278 32.500 -0.023 0.000 0.715 185 K HN 0.125 nan 8.250 nan 0.000 0.439 186 D N -0.365 119.949 120.400 -0.142 0.000 2.097 186 D HA -0.152 4.488 4.640 0.001 0.000 0.195 186 D C 1.996 178.156 176.300 -0.232 0.000 0.989 186 D CA 0.931 54.847 54.000 -0.140 0.000 0.827 186 D CB -0.080 40.704 40.800 -0.028 0.000 0.966 186 D HN 0.157 nan 8.370 nan 0.000 0.456 187 R N 0.657 120.952 120.500 -0.342 0.000 2.073 187 R HA -0.113 4.227 4.340 0.001 0.000 0.234 187 R C 2.352 178.624 176.300 -0.047 0.000 1.134 187 R CA 1.788 57.744 56.100 -0.240 0.000 0.952 187 R CB -0.577 29.445 30.300 -0.464 0.000 0.850 187 R HN 0.157 nan 8.270 nan 0.000 0.433 188 G N 0.065 108.792 108.800 -0.120 0.000 2.491 188 G HA2 -0.330 3.631 3.960 0.001 0.000 0.218 188 G HA3 -0.330 3.631 3.960 0.001 0.000 0.218 188 G C 1.541 176.390 174.900 -0.085 0.000 1.180 188 G CA 0.988 46.044 45.100 -0.074 0.000 0.774 188 G HN 0.512 nan 8.290 nan 0.000 0.562 189 A N 0.240 122.923 122.820 -0.228 0.000 1.940 189 A HA 0.023 4.343 4.320 0.001 0.000 0.219 189 A C 2.382 179.820 177.584 -0.243 0.000 1.176 189 A CA 1.805 53.630 52.037 -0.354 0.000 0.631 189 A CB -0.439 18.023 19.000 -0.897 0.000 0.814 189 A HN 0.475 nan 8.150 nan 0.000 0.446 190 L N -1.651 119.461 121.223 -0.186 0.000 2.017 190 L HA -0.141 4.199 4.340 0.001 0.000 0.208 190 L C 2.287 179.087 176.870 -0.116 0.000 1.073 190 L CA 2.004 56.789 54.840 -0.092 0.000 0.745 190 L CB -0.809 41.202 42.059 -0.080 0.000 0.894 190 L HN 0.454 nan 8.230 nan 0.000 0.432 191 Y N -0.155 120.092 120.300 -0.089 0.000 2.293 191 Y HA -0.137 4.413 4.550 0.001 0.000 0.291 191 Y C 2.684 178.549 175.900 -0.057 0.000 1.137 191 Y CA 1.435 59.498 58.100 -0.062 0.000 1.202 191 Y CB -0.251 38.175 38.460 -0.056 0.000 0.990 191 Y HN 0.151 nan 8.280 nan 0.000 0.537 192 R N 0.060 120.598 120.500 0.064 0.000 2.096 192 R HA -0.161 4.180 4.340 0.001 0.000 0.235 192 R C 1.896 178.189 176.300 -0.012 0.000 1.127 192 R CA 1.648 57.760 56.100 0.019 0.000 0.968 192 R CB -0.283 30.014 30.300 -0.006 0.000 0.861 192 R HN 0.480 nan 8.270 nan 0.000 0.440 193 E N 0.482 120.662 120.200 -0.033 0.000 2.152 193 E HA -0.080 4.270 4.350 0.001 0.000 0.192 193 E C 1.856 178.403 176.600 -0.089 0.000 0.983 193 E CA 0.799 57.170 56.400 -0.047 0.000 0.818 193 E CB 0.006 29.690 29.700 -0.027 0.000 0.758 193 E HN 0.319 nan 8.360 nan 0.000 0.467 194 A N 1.547 124.296 122.820 -0.118 0.000 2.125 194 A HA -0.184 4.137 4.320 0.001 0.000 0.219 194 A C 1.771 179.292 177.584 -0.105 0.000 1.156 194 A CA 0.902 52.842 52.037 -0.162 0.000 0.671 194 A CB -0.219 18.632 19.000 -0.248 0.000 0.794 194 A HN 0.073 nan 8.150 nan 0.000 0.459 195 E N 0.188 120.355 120.200 -0.055 0.000 2.160 195 E HA -0.185 4.166 4.350 0.001 0.000 0.195 195 E C 2.185 178.762 176.600 -0.039 0.000 0.991 195 E CA 1.227 57.611 56.400 -0.026 0.000 0.810 195 E CB -0.511 29.184 29.700 -0.009 0.000 0.742 195 E HN 0.643 nan 8.360 nan 0.000 0.466 196 A N 0.880 123.662 122.820 -0.064 0.000 2.015 196 A HA -0.064 4.257 4.320 0.001 0.000 0.219 196 A C 2.295 179.831 177.584 -0.079 0.000 1.163 196 A CA 0.695 52.698 52.037 -0.058 0.000 0.646 196 A CB -0.401 18.555 19.000 -0.074 0.000 0.806 196 A HN 0.153 nan 8.150 nan 0.000 0.448 197 L N -0.233 120.872 121.223 -0.196 0.000 2.162 197 L HA -0.021 4.320 4.340 0.001 0.000 0.205 197 L C 2.392 179.222 176.870 -0.067 0.000 1.086 197 L CA 1.200 55.819 54.840 -0.367 0.000 0.778 197 L CB -0.668 41.054 42.059 -0.561 0.000 0.928 197 L HN 0.602 nan 8.230 nan 0.000 0.446 198 I N -2.894 117.666 120.570 -0.016 0.000 3.083 198 I HA -0.093 4.078 4.170 0.001 0.000 0.273 198 I C 1.912 178.070 176.117 0.067 0.000 1.297 198 I CA 0.554 61.883 61.300 0.049 0.000 1.452 198 I CB -0.302 37.717 38.000 0.032 0.000 1.078 198 I HN -0.079 nan 8.210 nan 0.000 0.484 199 V N 0.992 120.945 119.914 0.066 0.000 2.809 199 V HA -0.112 4.009 4.120 0.001 0.000 0.256 199 V C 0.739 176.799 176.094 -0.055 0.000 1.080 199 V CA 1.187 63.480 62.300 -0.011 0.000 1.102 199 V CB -1.382 30.396 31.823 -0.076 0.000 0.705 199 V HN 0.498 nan 8.190 nan 0.000 0.475 200 H N 1.127 120.229 119.070 0.054 0.000 2.502 200 H HA 0.358 4.914 4.556 0.001 0.000 0.327 200 H C -2.310 173.029 175.328 0.018 0.000 1.099 200 H CA -2.023 54.076 56.048 0.084 0.000 1.323 200 H CB 0.683 30.595 29.762 0.250 0.000 1.450 200 H HN 0.166 nan 8.280 nan 0.000 0.502 201 P HA 0.078 nan 4.420 nan 0.000 0.279 201 P C -2.016 175.183 177.300 -0.169 0.000 1.252 201 P CA -1.708 61.251 63.100 -0.236 0.000 0.811 201 P CB 1.437 32.938 31.700 -0.333 0.000 1.035 202 P HA 0.038 nan 4.420 nan 0.000 0.233 202 P C 1.698 178.864 177.300 -0.224 0.000 1.167 202 P CA 0.633 63.467 63.100 -0.443 0.000 0.770 202 P CB 0.164 31.775 31.700 -0.147 0.000 0.837 203 L N 0.968 122.166 121.223 -0.041 0.000 2.043 203 L HA -0.203 4.137 4.340 0.001 0.000 0.212 203 L C 2.732 179.627 176.870 0.041 0.000 1.075 203 L CA 2.245 57.116 54.840 0.053 0.000 0.752 203 L CB -1.195 40.950 42.059 0.142 0.000 0.891 203 L HN 0.147 nan 8.230 nan 0.000 0.432 204 S N -1.919 113.784 115.700 0.006 0.000 2.469 204 S HA -0.217 4.254 4.470 0.001 0.000 0.238 204 S C 1.576 176.257 174.600 0.135 0.000 0.998 204 S CA 0.964 59.194 58.200 0.050 0.000 0.957 204 S CB -0.818 62.402 63.200 0.034 0.000 0.764 204 S HN 0.575 nan 8.310 nan 0.000 0.514 205 H N 0.449 119.544 119.070 0.042 0.000 2.524 205 H HA 0.281 4.838 4.556 0.001 0.000 0.282 205 H C 0.392 175.733 175.328 0.023 0.000 1.016 205 H CA 0.085 56.149 56.048 0.027 0.000 1.270 205 H CB 0.001 29.778 29.762 0.024 0.000 1.394 205 H HN 0.339 nan 8.280 nan 0.000 0.568 206 L N 1.371 122.682 121.223 0.147 0.000 2.399 206 L HA 0.279 4.619 4.340 0.001 0.000 0.265 206 L C -2.021 174.889 176.870 0.067 0.000 1.089 206 L CA -2.372 52.521 54.840 0.089 0.000 0.802 206 L CB 0.732 42.836 42.059 0.074 0.000 1.180 206 L HN -0.139 nan 8.230 nan 0.000 0.454 207 P HA 0.055 nan 4.420 nan 0.000 0.267 207 P C 0.315 177.641 177.300 0.043 0.000 1.200 207 P CA -0.153 62.970 63.100 0.038 0.000 0.772 207 P CB 0.573 32.288 31.700 0.027 0.000 0.855 208 R N 2.667 123.191 120.500 0.040 0.000 2.162 208 R HA -0.313 4.027 4.340 0.001 0.000 0.245 208 R C 1.867 178.200 176.300 0.055 0.000 1.129 208 R CA 2.511 58.637 56.100 0.044 0.000 0.940 208 R CB -0.484 29.837 30.300 0.034 0.000 0.875 208 R HN 0.597 nan 8.270 nan 0.000 0.437 209 E N -0.405 119.822 120.200 0.046 0.000 2.038 209 E HA -0.283 4.067 4.350 0.001 0.000 0.195 209 E C 2.143 178.786 176.600 0.073 0.000 1.000 209 E CA 1.669 58.101 56.400 0.053 0.000 0.803 209 E CB -0.111 29.605 29.700 0.027 0.000 0.750 209 E HN 0.167 nan 8.360 nan 0.000 0.448 210 R N 0.436 120.970 120.500 0.057 0.000 2.092 210 R HA -0.047 4.293 4.340 0.001 0.000 0.231 210 R C 2.046 178.390 176.300 0.074 0.000 1.119 210 R CA 1.623 57.759 56.100 0.061 0.000 0.970 210 R CB -0.754 29.572 30.300 0.043 0.000 0.864 210 R HN 0.263 nan 8.270 nan 0.000 0.440 211 A N 0.485 123.347 122.820 0.070 0.000 1.883 211 A HA -0.146 4.174 4.320 0.001 0.000 0.217 211 A C 2.226 179.853 177.584 0.072 0.000 1.186 211 A CA 1.672 53.751 52.037 0.071 0.000 0.624 211 A CB -0.694 18.345 19.000 0.065 0.000 0.822 211 A HN 0.365 nan 8.150 nan 0.000 0.444 212 L N -0.653 120.628 121.223 0.096 0.000 2.093 212 L HA -0.134 4.207 4.340 0.001 0.000 0.208 212 L C 2.819 179.762 176.870 0.122 0.000 1.085 212 L CA 1.344 56.253 54.840 0.114 0.000 0.755 212 L CB -0.357 41.851 42.059 0.249 0.000 0.904 212 L HN 0.323 nan 8.230 nan 0.000 0.435 213 S N -0.668 115.142 115.700 0.183 0.000 2.383 213 S HA -0.122 4.348 4.470 0.001 0.000 0.227 213 S C 1.844 176.501 174.600 0.094 0.000 1.026 213 S CA 0.952 59.261 58.200 0.181 0.000 0.981 213 S CB -0.087 63.210 63.200 0.161 0.000 0.818 213 S HN 0.391 nan 8.310 nan 0.000 0.472 214 E N 1.561 121.808 120.200 0.079 0.000 2.152 214 E HA 0.053 4.403 4.350 0.001 0.000 0.192 214 E C 2.284 178.921 176.600 0.061 0.000 0.983 214 E CA 0.866 57.309 56.400 0.072 0.000 0.818 214 E CB -0.472 29.274 29.700 0.077 0.000 0.758 214 E HN 0.470 nan 8.360 nan 0.000 0.467 215 A N 1.161 124.001 122.820 0.034 0.000 1.877 215 A HA -0.139 4.181 4.320 0.001 0.000 0.216 215 A C 2.601 180.157 177.584 -0.046 0.000 1.186 215 A CA 1.504 53.544 52.037 0.004 0.000 0.620 215 A CB -0.740 18.220 19.000 -0.066 0.000 0.822 215 A HN 0.135 nan 8.150 nan 0.000 0.443 216 V N -0.267 119.576 119.914 -0.119 0.000 2.407 216 V HA -0.209 3.912 4.120 0.001 0.000 0.248 216 V C 2.712 178.793 176.094 -0.022 0.000 1.055 216 V CA 2.391 64.602 62.300 -0.148 0.000 1.049 216 V CB -1.159 30.484 31.823 -0.301 0.000 0.662 216 V HN 0.613 nan 8.190 nan 0.000 0.455 217 T N 0.332 114.900 114.554 0.023 0.000 2.746 217 T HA -0.100 4.250 4.350 0.001 0.000 0.267 217 T C 1.871 176.604 174.700 0.056 0.000 1.039 217 T CA 1.413 63.547 62.100 0.058 0.000 1.142 217 T CB -0.237 68.674 68.868 0.070 0.000 0.866 217 T HN 0.302 nan 8.240 nan 0.000 0.444 218 L N 0.336 121.595 121.223 0.059 0.000 2.056 218 L HA -0.041 4.300 4.340 0.001 0.000 0.207 218 L C 2.434 179.348 176.870 0.074 0.000 1.078 218 L CA 0.724 55.606 54.840 0.071 0.000 0.749 218 L CB -0.548 41.593 42.059 0.136 0.000 0.901 218 L HN 0.235 nan 8.230 nan 0.000 0.433 219 L N -0.358 120.902 121.223 0.061 0.000 1.989 219 L HA -0.174 4.166 4.340 0.001 0.000 0.211 219 L C 2.392 179.324 176.870 0.104 0.000 1.071 219 L CA 1.754 56.627 54.840 0.055 0.000 0.749 219 L CB -0.492 41.563 42.059 -0.007 0.000 0.890 219 L HN -0.098 nan 8.230 nan 0.000 0.431 220 V N 0.144 120.111 119.914 0.089 0.000 2.343 220 V HA -0.281 3.839 4.120 0.001 0.000 0.247 220 V C 2.764 178.926 176.094 0.113 0.000 1.051 220 V CA 1.680 64.046 62.300 0.110 0.000 1.036 220 V CB -1.229 30.654 31.823 0.099 0.000 0.654 220 V HN 0.638 nan 8.190 nan 0.000 0.451 221 A N -0.244 122.633 122.820 0.096 0.000 1.968 221 A HA 0.072 4.392 4.320 0.001 0.000 0.217 221 A C 2.173 179.823 177.584 0.109 0.000 1.169 221 A CA 1.658 53.750 52.037 0.090 0.000 0.638 221 A CB -0.531 18.502 19.000 0.056 0.000 0.812 221 A HN 0.564 nan 8.150 nan 0.000 0.446 222 G N -2.963 105.909 108.800 0.119 0.000 3.192 222 G HA2 0.168 4.129 3.960 0.001 0.000 0.239 222 G HA3 0.168 4.129 3.960 0.001 0.000 0.239 222 G C 1.081 176.108 174.900 0.212 0.000 1.084 222 G CA 0.608 45.799 45.100 0.152 0.000 0.784 222 G HN 0.681 nan 8.290 nan 0.000 0.540 223 H N 0.771 119.888 119.070 0.078 0.000 2.266 223 H HA 0.093 4.649 4.556 0.001 0.000 0.309 223 H C 2.138 177.507 175.328 0.068 0.000 1.054 223 H CA 1.165 57.252 56.048 0.064 0.000 1.328 223 H CB 0.366 30.153 29.762 0.041 0.000 1.407 223 H HN 0.323 nan 8.280 nan 0.000 0.508 224 E N 0.005 120.126 120.200 -0.132 0.000 2.268 224 E HA -0.109 4.241 4.350 0.001 0.000 0.195 224 E C 2.218 178.815 176.600 -0.006 0.000 0.995 224 E CA 1.262 57.550 56.400 -0.186 0.000 0.836 224 E CB 0.096 29.715 29.700 -0.134 0.000 0.763 224 E HN 0.635 nan 8.360 nan 0.000 0.491 225 T N -0.710 113.885 114.554 0.068 0.000 2.701 225 T HA -0.127 4.223 4.350 0.001 0.000 0.263 225 T C 2.179 176.962 174.700 0.139 0.000 1.040 225 T CA 1.091 63.252 62.100 0.102 0.000 1.147 225 T CB -0.689 68.247 68.868 0.112 0.000 0.865 225 T HN -0.027 nan 8.240 nan 0.000 0.426 226 V N 2.358 122.382 119.914 0.184 0.000 2.358 226 V HA -0.038 4.082 4.120 0.001 0.000 0.246 226 V C 3.271 179.475 176.094 0.184 0.000 1.047 226 V CA 1.492 63.940 62.300 0.248 0.000 1.035 226 V CB -1.489 30.492 31.823 0.263 0.000 0.658 226 V HN 0.700 nan 8.190 nan 0.000 0.452 227 A N -0.376 122.502 122.820 0.095 0.000 1.865 227 A HA -0.273 4.048 4.320 0.001 0.000 0.217 227 A C 2.585 180.183 177.584 0.023 0.000 1.191 227 A CA 2.440 54.496 52.037 0.033 0.000 0.623 227 A CB -0.966 17.994 19.000 -0.066 0.000 0.826 227 A HN 0.497 nan 8.150 nan 0.000 0.444 228 S N -0.358 115.361 115.700 0.031 0.000 2.353 228 S HA -0.108 4.363 4.470 0.001 0.000 0.222 228 S C 2.212 176.896 174.600 0.140 0.000 1.035 228 S CA 1.879 60.105 58.200 0.043 0.000 1.025 228 S CB -0.601 62.704 63.200 0.176 0.000 0.902 228 S HN 0.933 nan 8.310 nan 0.000 0.440 229 A N 1.261 124.195 122.820 0.189 0.000 1.908 229 A HA -0.006 4.315 4.320 0.001 0.000 0.218 229 A C 2.273 179.970 177.584 0.189 0.000 1.181 229 A CA 1.660 53.787 52.037 0.150 0.000 0.627 229 A CB -0.836 18.179 19.000 0.025 0.000 0.818 229 A HN 0.599 nan 8.150 nan 0.000 0.445 230 L N -1.082 120.276 121.223 0.224 0.000 2.093 230 L HA -0.131 4.209 4.340 0.001 0.000 0.208 230 L C 2.800 179.617 176.870 -0.089 0.000 1.085 230 L CA 1.634 56.515 54.840 0.069 0.000 0.755 230 L CB -0.822 41.287 42.059 0.083 0.000 0.904 230 L HN 0.337 nan 8.230 nan 0.000 0.435 231 T N -1.178 113.352 114.554 -0.040 0.000 2.708 231 T HA -0.219 4.131 4.350 0.001 0.000 0.266 231 T C 1.455 175.998 174.700 -0.261 0.000 1.037 231 T CA 1.704 63.715 62.100 -0.148 0.000 1.146 231 T CB -0.381 68.241 68.868 -0.411 0.000 0.865 231 T HN 0.394 nan 8.240 nan 0.000 0.435 232 W N 1.284 122.494 121.300 -0.150 0.000 2.402 232 W HA -0.030 4.631 4.660 0.001 0.000 0.286 232 W C 2.960 179.345 176.519 -0.223 0.000 1.221 232 W CA 0.224 57.389 57.345 -0.299 0.000 1.257 232 W CB -0.434 28.806 29.460 -0.366 0.000 1.120 232 W HN 0.137 nan 8.180 nan 0.000 0.551 233 S N 0.277 115.992 115.700 0.025 0.000 2.370 233 S HA -0.192 4.279 4.470 0.001 0.000 0.226 233 S C 1.482 176.018 174.600 -0.108 0.000 1.033 233 S CA 1.366 59.534 58.200 -0.054 0.000 1.011 233 S CB -0.705 62.470 63.200 -0.041 0.000 0.852 233 S HN 0.229 nan 8.310 nan 0.000 0.457 234 F N 0.945 120.896 119.950 0.001 0.000 2.134 234 F HA -0.096 4.431 4.527 0.001 0.000 0.299 234 F C 2.194 177.901 175.800 -0.155 0.000 1.097 234 F CA 0.523 58.492 58.000 -0.050 0.000 1.264 234 F CB -0.356 38.524 39.000 -0.200 0.000 1.001 234 F HN 0.185 nan 8.300 nan 0.000 0.479 235 L N 0.548 121.738 121.223 -0.056 0.000 1.989 235 L HA -0.219 4.122 4.340 0.001 0.000 0.211 235 L C 2.033 178.609 176.870 -0.489 0.000 1.071 235 L CA 1.836 56.520 54.840 -0.260 0.000 0.749 235 L CB -0.900 41.052 42.059 -0.179 0.000 0.890 235 L HN 0.110 nan 8.230 nan 0.000 0.431 236 L N -1.194 119.802 121.223 -0.379 0.000 2.017 236 L HA -0.230 4.110 4.340 0.001 0.000 0.208 236 L C 2.556 179.110 176.870 -0.526 0.000 1.073 236 L CA 1.361 55.823 54.840 -0.631 0.000 0.745 236 L CB -0.574 40.767 42.059 -1.196 0.000 0.894 236 L HN 0.311 nan 8.230 nan 0.000 0.432 237 L N -0.357 120.717 121.223 -0.247 0.000 2.201 237 L HA -0.163 4.178 4.340 0.001 0.000 0.212 237 L C 2.815 179.712 176.870 0.045 0.000 1.105 237 L CA 1.219 56.081 54.840 0.036 0.000 0.775 237 L CB -0.527 41.597 42.059 0.109 0.000 0.913 237 L HN 0.399 nan 8.230 nan 0.000 0.440 238 S N -1.361 114.297 115.700 -0.070 0.000 2.440 238 S HA -0.228 4.243 4.470 0.001 0.000 0.238 238 S C 1.485 176.053 174.600 -0.054 0.000 1.010 238 S CA 1.141 59.306 58.200 -0.060 0.000 0.972 238 S CB -0.682 62.400 63.200 -0.198 0.000 0.774 238 S HN 0.600 nan 8.310 nan 0.000 0.501 239 H N 0.247 119.353 119.070 0.060 0.000 2.553 239 H HA 0.344 4.901 4.556 0.001 0.000 0.265 239 H C 0.202 175.632 175.328 0.169 0.000 0.964 239 H CA -0.223 55.878 56.048 0.089 0.000 1.156 239 H CB 0.369 30.172 29.762 0.069 0.000 1.411 239 H HN 0.074 nan 8.280 nan 0.000 0.558 240 R N 0.977 121.651 120.500 0.290 0.000 2.494 240 R HA 0.164 4.505 4.340 0.001 0.000 0.284 240 R C -2.401 174.048 176.300 0.247 0.000 1.525 240 R CA -1.923 54.375 56.100 0.329 0.000 1.460 240 R CB 0.803 31.400 30.300 0.495 0.000 1.134 240 R HN 0.217 nan 8.270 nan 0.000 0.592 241 P HA -0.207 nan 4.420 nan 0.000 0.216 241 P C 0.982 178.333 177.300 0.084 0.000 1.150 241 P CA 1.326 64.501 63.100 0.125 0.000 0.843 241 P CB 0.312 32.080 31.700 0.113 0.000 0.787 242 D N -1.438 119.014 120.400 0.086 0.000 2.117 242 D HA -0.204 4.436 4.640 0.001 0.000 0.197 242 D C 1.700 177.925 176.300 -0.125 0.000 0.987 242 D CA 1.267 55.249 54.000 -0.029 0.000 0.829 242 D CB -1.298 39.474 40.800 -0.048 0.000 0.961 242 D HN 0.270 nan 8.370 nan 0.000 0.460 243 W N 1.373 122.677 121.300 0.007 0.000 2.584 243 W HA 0.126 4.786 4.660 0.001 0.000 0.264 243 W C 2.787 179.230 176.519 -0.127 0.000 1.264 243 W CA 0.248 57.581 57.345 -0.021 0.000 1.306 243 W CB -0.042 29.439 29.460 0.036 0.000 1.110 243 W HN 0.020 nan 8.180 nan 0.000 0.606 244 Q N 0.241 120.021 119.800 -0.033 0.000 2.084 244 Q HA -0.218 4.122 4.340 0.001 0.000 0.202 244 Q C 2.277 178.195 176.000 -0.137 0.000 0.978 244 Q CA 1.052 56.630 55.803 -0.376 0.000 0.844 244 Q CB -0.318 28.276 28.738 -0.239 0.000 0.898 244 Q HN 0.000 nan 8.270 nan 0.000 0.426 245 K N 1.268 121.643 120.400 -0.043 0.000 2.057 245 K HA -0.101 4.220 4.320 0.001 0.000 0.206 245 K C 1.932 178.516 176.600 -0.026 0.000 1.050 245 K CA 1.268 57.547 56.287 -0.013 0.000 0.935 245 K CB 0.019 32.498 32.500 -0.034 0.000 0.715 245 K HN 0.160 nan 8.250 nan 0.000 0.439 246 R N -0.110 120.338 120.500 -0.086 0.000 2.075 246 R HA -0.040 4.300 4.340 0.001 0.000 0.232 246 R C 2.322 178.651 176.300 0.048 0.000 1.126 246 R CA 1.098 57.142 56.100 -0.094 0.000 0.963 246 R CB -0.361 29.737 30.300 -0.336 0.000 0.858 246 R HN -0.047 nan 8.270 nan 0.000 0.435 247 V N 1.248 121.233 119.914 0.117 0.000 2.407 247 V HA -0.220 3.901 4.120 0.001 0.000 0.248 247 V C 2.438 178.648 176.094 0.193 0.000 1.055 247 V CA 1.906 64.318 62.300 0.187 0.000 1.049 247 V CB -0.593 31.339 31.823 0.181 0.000 0.662 247 V HN 0.398 nan 8.190 nan 0.000 0.455 248 A N 0.857 123.785 122.820 0.180 0.000 1.898 248 A HA -0.230 4.091 4.320 0.001 0.000 0.216 248 A C 2.198 179.853 177.584 0.119 0.000 1.181 248 A CA 1.805 53.959 52.037 0.196 0.000 0.620 248 A CB -0.368 18.745 19.000 0.188 0.000 0.819 248 A HN 0.782 nan 8.150 nan 0.000 0.442 249 E N -1.298 118.949 120.200 0.078 0.000 2.385 249 E HA 0.136 4.487 4.350 0.001 0.000 0.194 249 E C 0.435 177.065 176.600 0.050 0.000 1.013 249 E CA 0.681 57.110 56.400 0.048 0.000 0.866 249 E CB 0.035 29.746 29.700 0.019 0.000 0.832 249 E HN 0.294 nan 8.360 nan 0.000 0.500 250 S N 0.001 115.743 115.700 0.071 0.000 2.672 250 S HA 0.120 4.590 4.470 0.001 0.000 0.291 250 S C 0.373 175.034 174.600 0.101 0.000 1.145 250 S CA -0.732 57.512 58.200 0.074 0.000 1.013 250 S CB 1.663 64.901 63.200 0.064 0.000 1.017 250 S HN 0.119 nan 8.310 nan 0.000 0.487 251 E N 3.136 123.387 120.200 0.084 0.000 2.058 251 E HA -0.150 4.201 4.350 0.001 0.000 0.194 251 E C 1.358 178.019 176.600 0.102 0.000 0.997 251 E CA 1.519 57.970 56.400 0.084 0.000 0.801 251 E CB 0.027 29.761 29.700 0.057 0.000 0.746 251 E HN 0.847 nan 8.360 nan 0.000 0.450 252 E N -0.075 120.186 120.200 0.101 0.000 2.110 252 E HA -0.166 4.184 4.350 0.001 0.000 0.193 252 E C 1.949 178.652 176.600 0.172 0.000 0.988 252 E CA 0.930 57.403 56.400 0.122 0.000 0.804 252 E CB -0.060 29.704 29.700 0.107 0.000 0.745 252 E HN 0.204 nan 8.360 nan 0.000 0.458 253 A N 1.249 124.184 122.820 0.191 0.000 1.930 253 A HA -0.070 4.250 4.320 0.001 0.000 0.217 253 A C 2.349 180.120 177.584 0.313 0.000 1.175 253 A CA 1.498 53.718 52.037 0.305 0.000 0.627 253 A CB -0.468 18.688 19.000 0.260 0.000 0.815 253 A HN 0.296 nan 8.150 nan 0.000 0.443 254 A N -0.404 122.555 122.820 0.232 0.000 1.933 254 A HA -0.033 4.287 4.320 0.001 0.000 0.218 254 A C 2.109 179.815 177.584 0.205 0.000 1.175 254 A CA 1.711 53.878 52.037 0.217 0.000 0.628 254 A CB -0.566 18.536 19.000 0.171 0.000 0.814 254 A HN 0.705 nan 8.150 nan 0.000 0.444 255 L N -0.305 121.025 121.223 0.179 0.000 2.093 255 L HA -0.007 4.333 4.340 0.001 0.000 0.208 255 L C 2.594 179.587 176.870 0.205 0.000 1.085 255 L CA 2.131 57.085 54.840 0.191 0.000 0.755 255 L CB -0.779 41.372 42.059 0.153 0.000 0.904 255 L HN 0.319 nan 8.230 nan 0.000 0.435 256 A N -0.448 122.488 122.820 0.192 0.000 1.898 256 A HA -0.051 4.270 4.320 0.001 0.000 0.216 256 A C 2.447 180.064 177.584 0.055 0.000 1.181 256 A CA 1.666 53.799 52.037 0.161 0.000 0.620 256 A CB -1.113 18.004 19.000 0.194 0.000 0.819 256 A HN 0.566 nan 8.150 nan 0.000 0.442 257 A N -1.345 121.519 122.820 0.073 0.000 1.898 257 A HA -0.011 4.310 4.320 0.001 0.000 0.216 257 A C 2.021 179.726 177.584 0.202 0.000 1.181 257 A CA 1.556 53.633 52.037 0.067 0.000 0.620 257 A CB -0.670 18.434 19.000 0.174 0.000 0.819 257 A HN 0.580 nan 8.150 nan 0.000 0.442 258 F N 0.807 120.788 119.950 0.051 0.000 2.102 258 F HA -0.166 4.362 4.527 0.001 0.000 0.298 258 F C 2.538 178.336 175.800 -0.004 0.000 1.105 258 F CA 2.082 60.109 58.000 0.044 0.000 1.239 258 F CB -0.381 38.653 39.000 0.057 0.000 0.991 258 F HN 0.313 nan 8.300 nan 0.000 0.474 259 Q N -0.604 119.150 119.800 -0.077 0.000 2.167 259 Q HA -0.230 4.111 4.340 0.001 0.000 0.202 259 Q C 1.977 177.626 176.000 -0.585 0.000 0.970 259 Q CA 1.584 57.125 55.803 -0.436 0.000 0.855 259 Q CB -0.251 27.999 28.738 -0.813 0.000 0.911 259 Q HN 0.417 nan 8.270 nan 0.000 0.438 260 E N 0.895 120.925 120.200 -0.283 0.000 2.152 260 E HA -0.086 4.265 4.350 0.001 0.000 0.192 260 E C 1.723 178.381 176.600 0.096 0.000 0.983 260 E CA 1.103 57.504 56.400 0.001 0.000 0.818 260 E CB -0.089 29.627 29.700 0.028 0.000 0.758 260 E HN 0.305 nan 8.360 nan 0.000 0.467 261 A N 0.451 123.331 122.820 0.101 0.000 1.930 261 A HA -0.068 4.252 4.320 0.001 0.000 0.217 261 A C 2.176 179.746 177.584 -0.024 0.000 1.175 261 A CA 1.127 53.221 52.037 0.095 0.000 0.627 261 A CB -0.598 18.427 19.000 0.040 0.000 0.815 261 A HN 0.343 nan 8.150 nan 0.000 0.443 262 L N -1.207 119.903 121.223 -0.188 0.000 2.201 262 L HA -0.097 4.243 4.340 0.001 0.000 0.212 262 L C 2.715 179.544 176.870 -0.067 0.000 1.105 262 L CA 1.219 55.931 54.840 -0.213 0.000 0.775 262 L CB -0.394 41.464 42.059 -0.336 0.000 0.913 262 L HN 0.442 nan 8.230 nan 0.000 0.440 263 R N 0.551 121.073 120.500 0.036 0.000 2.073 263 R HA -0.098 4.243 4.340 0.001 0.000 0.229 263 R C 2.202 178.424 176.300 -0.130 0.000 1.120 263 R CA 1.191 57.328 56.100 0.062 0.000 0.967 263 R CB 0.000 30.242 30.300 -0.097 0.000 0.862 263 R HN 0.311 nan 8.270 nan 0.000 0.436 264 L N -0.986 120.134 121.223 -0.171 0.000 2.270 264 L HA -0.004 4.337 4.340 0.001 0.000 0.210 264 L C 0.303 176.771 176.870 -0.670 0.000 1.104 264 L CA 0.669 55.262 54.840 -0.410 0.000 0.804 264 L CB 0.314 42.168 42.059 -0.341 0.000 0.937 264 L HN 0.169 nan 8.230 nan 0.000 0.450 265 Y N -0.389 119.776 120.300 -0.225 0.000 2.470 265 Y HA 0.259 4.810 4.550 0.001 0.000 0.352 265 Y C -2.223 173.535 175.900 -0.237 0.000 0.967 265 Y CA -2.592 55.279 58.100 -0.382 0.000 1.121 265 Y CB 0.203 38.076 38.460 -0.978 0.000 1.149 265 Y HN -0.082 nan 8.280 nan 0.000 0.641 266 P HA 0.023 nan 4.420 nan 0.000 0.261 266 P C -2.316 174.991 177.300 0.012 0.000 1.203 266 P CA -0.850 62.198 63.100 -0.087 0.000 0.767 266 P CB 1.592 33.209 31.700 -0.139 0.000 0.785 267 P HA -0.172 nan 4.420 nan 0.000 0.216 267 P C 0.577 177.971 177.300 0.156 0.000 1.157 267 P CA 1.823 64.992 63.100 0.114 0.000 0.880 267 P CB -0.121 31.618 31.700 0.064 0.000 0.791 268 A N 0.446 123.282 122.820 0.027 0.000 2.527 268 A HA 0.147 4.467 4.320 0.001 0.000 0.313 268 A C 0.688 178.263 177.584 -0.015 0.000 1.410 268 A CA -0.705 51.319 52.037 -0.021 0.000 1.060 268 A CB -0.884 18.070 19.000 -0.077 0.000 1.137 268 A HN 0.350 nan 8.150 nan 0.000 0.542 269 W N 2.611 123.877 121.300 -0.058 0.000 3.256 269 W HA 0.394 5.055 4.660 0.001 0.000 0.269 269 W C -0.222 176.303 176.519 0.009 0.000 1.310 269 W CA -0.252 57.067 57.345 -0.044 0.000 1.673 269 W CB -0.548 28.865 29.460 -0.078 0.000 1.115 269 W HN 0.451 nan 8.180 nan 0.000 0.686 270 I N 1.401 121.684 120.570 -0.477 0.000 2.644 270 I HA 0.445 4.616 4.170 0.001 0.000 0.291 270 I C -1.980 173.971 176.117 -0.276 0.000 1.180 270 I CA -0.948 60.118 61.300 -0.391 0.000 1.040 270 I CB 1.758 39.306 38.000 -0.754 0.000 1.255 270 I HN -0.252 nan 8.210 nan 0.000 0.422 271 L N 6.316 127.487 121.223 -0.086 0.000 2.381 271 L HA 0.747 5.087 4.340 0.001 0.000 0.268 271 L C -0.202 176.642 176.870 -0.044 0.000 0.997 271 L CA -0.202 54.630 54.840 -0.012 0.000 0.818 271 L CB 2.348 44.494 42.059 0.144 0.000 1.310 271 L HN 0.714 nan 8.230 nan 0.000 0.416 272 T N -0.596 113.929 114.554 -0.049 0.000 2.906 272 T HA 0.866 5.217 4.350 0.001 0.000 0.295 272 T C -0.589 174.107 174.700 -0.006 0.000 1.075 272 T CA -1.036 61.006 62.100 -0.098 0.000 1.005 272 T CB 2.361 71.024 68.868 -0.342 0.000 1.136 272 T HN 0.345 nan 8.240 nan 0.000 0.498 273 R N 0.289 120.745 120.500 -0.074 0.000 2.707 273 R HA 0.651 4.991 4.340 0.001 0.000 0.272 273 R C -1.327 174.892 176.300 -0.136 0.000 1.011 273 R CA -0.903 55.129 56.100 -0.114 0.000 0.893 273 R CB 2.390 32.617 30.300 -0.123 0.000 1.233 273 R HN 0.771 nan 8.270 nan 0.000 0.464 274 R N 1.660 122.045 120.500 -0.191 0.000 2.494 274 R HA 0.473 4.814 4.340 0.001 0.000 0.305 274 R C -0.944 175.251 176.300 -0.175 0.000 0.959 274 R CA -0.441 55.557 56.100 -0.171 0.000 0.864 274 R CB 0.792 30.970 30.300 -0.202 0.000 1.159 274 R HN 0.564 nan 8.270 nan 0.000 0.446 275 L N 4.590 125.742 121.223 -0.117 0.000 2.290 275 L HA 0.340 4.680 4.340 0.001 0.000 0.284 275 L C 0.832 177.652 176.870 -0.083 0.000 1.078 275 L CA -0.052 54.728 54.840 -0.099 0.000 0.815 275 L CB 1.538 43.556 42.059 -0.068 0.000 1.162 275 L HN 0.749 nan 8.230 nan 0.000 0.435 276 E N 2.206 122.355 120.200 -0.085 0.000 2.472 276 E HA 0.082 4.433 4.350 0.001 0.000 0.196 276 E C 0.074 176.656 176.600 -0.031 0.000 1.033 276 E CA 0.052 56.420 56.400 -0.053 0.000 0.886 276 E CB 0.733 30.405 29.700 -0.048 0.000 0.944 276 E HN 0.369 nan 8.360 nan 0.000 0.492 277 R N 0.552 121.029 120.500 -0.039 0.000 2.604 277 R HA 0.264 4.605 4.340 0.001 0.000 0.270 277 R C -2.940 173.337 176.300 -0.038 0.000 1.052 277 R CA -2.063 54.019 56.100 -0.030 0.000 0.902 277 R CB 1.326 31.610 30.300 -0.026 0.000 1.233 277 R HN -0.227 nan 8.270 nan 0.000 0.455 278 P HA -0.036 nan 4.420 nan 0.000 0.264 278 P C -1.315 175.954 177.300 -0.052 0.000 1.179 278 P CA -0.041 63.032 63.100 -0.046 0.000 0.763 278 P CB 0.445 32.117 31.700 -0.046 0.000 0.806 279 L N 4.071 125.257 121.223 -0.061 0.000 2.365 279 L HA 0.564 4.904 4.340 0.001 0.000 0.273 279 L C -1.372 175.455 176.870 -0.071 0.000 1.000 279 L CA -0.828 53.974 54.840 -0.064 0.000 0.819 279 L CB 1.753 43.771 42.059 -0.067 0.000 1.284 279 L HN 0.115 nan 8.230 nan 0.000 0.418 280 L N 5.738 126.922 121.223 -0.065 0.000 2.272 280 L HA 0.458 4.798 4.340 0.001 0.000 0.284 280 L C -1.145 175.686 176.870 -0.065 0.000 1.045 280 L CA 0.106 54.906 54.840 -0.066 0.000 0.842 280 L CB 0.529 42.555 42.059 -0.056 0.000 1.224 280 L HN 0.605 nan 8.230 nan 0.000 0.430 281 L N 6.911 128.090 121.223 -0.073 0.000 2.315 281 L HA 0.439 4.779 4.340 0.001 0.000 0.278 281 L C 1.232 178.064 176.870 -0.063 0.000 1.088 281 L CA 0.416 55.214 54.840 -0.070 0.000 0.899 281 L CB 0.053 42.066 42.059 -0.077 0.000 1.277 281 L HN 0.955 nan 8.230 nan 0.000 0.431 282 G N 3.400 112.167 108.800 -0.055 0.000 2.675 282 G HA2 -0.356 3.604 3.960 0.001 0.000 0.312 282 G HA3 -0.356 3.604 3.960 0.001 0.000 0.312 282 G C 0.658 175.530 174.900 -0.047 0.000 1.186 282 G CA 0.588 45.660 45.100 -0.046 0.000 0.965 282 G HN 0.609 nan 8.290 nan 0.000 0.548 283 E N 1.050 121.221 120.200 -0.048 0.000 2.511 283 E HA 0.172 4.523 4.350 0.001 0.000 0.209 283 E C -0.570 175.989 176.600 -0.068 0.000 0.986 283 E CA -0.076 56.293 56.400 -0.051 0.000 0.974 283 E CB 0.446 30.121 29.700 -0.042 0.000 1.030 283 E HN 0.437 nan 8.360 nan 0.000 0.490 284 D N 2.158 122.512 120.400 -0.077 0.000 2.339 284 D HA 0.093 4.733 4.640 0.001 0.000 0.256 284 D C -0.175 176.051 176.300 -0.123 0.000 1.214 284 D CA 0.194 54.130 54.000 -0.106 0.000 0.877 284 D CB 0.613 41.351 40.800 -0.103 0.000 1.111 284 D HN -0.069 nan 8.370 nan 0.000 0.478 285 R N 2.574 122.985 120.500 -0.148 0.000 2.196 285 R HA 0.369 4.709 4.340 0.001 0.000 0.340 285 R C -0.198 175.976 176.300 -0.210 0.000 1.043 285 R CA -0.468 55.543 56.100 -0.149 0.000 0.883 285 R CB 0.896 31.117 30.300 -0.132 0.000 1.078 285 R HN 0.272 nan 8.270 nan 0.000 0.462 286 L N 5.861 126.984 121.223 -0.167 0.000 2.272 286 L HA 0.432 4.772 4.340 0.001 0.000 0.289 286 L C -1.862 174.942 176.870 -0.110 0.000 1.032 286 L CA -2.335 52.403 54.840 -0.170 0.000 0.810 286 L CB 1.560 43.563 42.059 -0.094 0.000 1.205 286 L HN 0.332 nan 8.230 nan 0.000 0.422 287 P HA -0.013 nan 4.420 nan 0.000 0.272 287 P C -0.816 176.477 177.300 -0.011 0.000 1.223 287 P CA -0.439 62.635 63.100 -0.043 0.000 0.784 287 P CB 0.887 32.576 31.700 -0.019 0.000 0.923 288 Q N 0.788 120.579 119.800 -0.015 0.000 2.333 288 Q HA 0.190 4.530 4.340 0.001 0.000 0.299 288 Q C 1.176 177.177 176.000 0.001 0.000 1.067 288 Q CA 1.392 57.188 55.803 -0.013 0.000 0.943 288 Q CB -0.417 28.314 28.738 -0.011 0.000 1.233 288 Q HN 0.868 nan 8.270 nan 0.000 0.401 289 G N 2.389 111.183 108.800 -0.010 0.000 2.217 289 G HA2 -0.252 3.709 3.960 0.001 0.000 0.246 289 G HA3 -0.252 3.709 3.960 0.001 0.000 0.246 289 G C 0.181 175.074 174.900 -0.013 0.000 0.990 289 G CA 0.213 45.312 45.100 -0.002 0.000 0.627 289 G HN 0.679 nan 8.290 nan 0.000 0.522 290 T N 2.050 116.599 114.554 -0.007 0.000 2.940 290 T HA 0.443 4.794 4.350 0.001 0.000 0.309 290 T C 0.464 175.120 174.700 -0.074 0.000 1.056 290 T CA 1.132 63.222 62.100 -0.017 0.000 1.137 290 T CB 1.086 69.995 68.868 0.068 0.000 0.976 290 T HN 0.224 nan 8.240 nan 0.000 0.547 291 T N 4.626 119.093 114.554 -0.144 0.000 2.743 291 T HA 0.403 4.753 4.350 0.001 0.000 0.292 291 T C 0.271 174.906 174.700 -0.109 0.000 0.972 291 T CA -0.574 61.449 62.100 -0.129 0.000 0.967 291 T CB 0.147 68.924 68.868 -0.151 0.000 0.926 291 T HN 0.323 nan 8.240 nan 0.000 0.459 292 L N 3.806 124.978 121.223 -0.084 0.000 2.331 292 L HA 0.521 4.862 4.340 0.001 0.000 0.278 292 L C -0.257 176.578 176.870 -0.058 0.000 1.106 292 L CA -0.777 54.018 54.840 -0.075 0.000 0.824 292 L CB 0.834 42.845 42.059 -0.080 0.000 1.142 292 L HN 0.289 nan 8.230 nan 0.000 0.443 293 V N 5.395 125.280 119.914 -0.050 0.000 2.407 293 V HA 0.462 4.582 4.120 0.001 0.000 0.291 293 V C 0.031 176.123 176.094 -0.003 0.000 1.018 293 V CA -0.410 61.889 62.300 -0.000 0.000 0.842 293 V CB 1.786 33.651 31.823 0.070 0.000 0.996 293 V HN 0.529 nan 8.190 nan 0.000 0.426 294 L N 3.121 124.386 121.223 0.069 0.000 2.342 294 L HA 0.768 5.109 4.340 0.001 0.000 0.271 294 L C -0.011 177.046 176.870 0.313 0.000 1.008 294 L CA -0.470 54.487 54.840 0.194 0.000 0.818 294 L CB 2.148 44.350 42.059 0.238 0.000 1.296 294 L HN 0.604 nan 8.230 nan 0.000 0.427 295 S N 1.384 117.378 115.700 0.490 0.000 2.746 295 S HA 0.421 4.891 4.470 0.001 0.000 0.273 295 S C -2.171 172.625 174.600 0.328 0.000 1.172 295 S CA -1.204 57.251 58.200 0.425 0.000 1.116 295 S CB 1.486 65.021 63.200 0.559 0.000 1.057 295 S HN 0.315 nan 8.310 nan 0.000 0.483 296 P HA -0.117 nan 4.420 nan 0.000 0.216 296 P C 0.987 178.259 177.300 -0.047 0.000 1.150 296 P CA 0.766 63.594 63.100 -0.453 0.000 0.837 296 P CB -0.051 31.186 31.700 -0.773 0.000 0.786 297 Y N 0.407 120.683 120.300 -0.039 0.000 2.081 297 Y HA -0.249 4.302 4.550 0.001 0.000 0.280 297 Y C 2.061 177.940 175.900 -0.035 0.000 1.163 297 Y CA 1.594 59.663 58.100 -0.051 0.000 1.135 297 Y CB -1.020 37.435 38.460 -0.008 0.000 0.970 297 Y HN -0.262 nan 8.280 nan 0.000 0.498 298 V N -0.745 119.215 119.914 0.075 0.000 2.270 298 V HA -0.298 3.823 4.120 0.001 0.000 0.245 298 V C 2.286 178.401 176.094 0.035 0.000 1.043 298 V CA 2.428 64.679 62.300 -0.081 0.000 1.014 298 V CB -1.190 30.499 31.823 -0.224 0.000 0.645 298 V HN 0.456 nan 8.190 nan 0.000 0.447 299 T N -0.233 114.476 114.554 0.260 0.000 2.684 299 T HA -0.283 4.067 4.350 0.001 0.000 0.267 299 T C 1.897 176.859 174.700 0.437 0.000 1.036 299 T CA 1.797 64.166 62.100 0.448 0.000 1.148 299 T CB -0.325 68.862 68.868 0.531 0.000 0.863 299 T HN 0.542 nan 8.240 nan 0.000 0.436 300 Q N 0.121 120.088 119.800 0.278 0.000 2.291 300 Q HA 0.025 4.366 4.340 0.001 0.000 0.205 300 Q C 2.438 178.513 176.000 0.124 0.000 0.970 300 Q CA 0.908 56.880 55.803 0.281 0.000 0.876 300 Q CB -0.048 28.768 28.738 0.130 0.000 0.935 300 Q HN 0.429 nan 8.270 nan 0.000 0.455 301 R N -0.358 120.112 120.500 -0.049 0.000 2.189 301 R HA 0.116 4.456 4.340 0.001 0.000 0.203 301 R C 1.807 178.065 176.300 -0.069 0.000 1.012 301 R CA 0.431 56.435 56.100 -0.159 0.000 1.015 301 R CB 0.311 30.375 30.300 -0.393 0.000 0.938 301 R HN 0.181 nan 8.270 nan 0.000 0.472 302 L N -0.898 120.311 121.223 -0.024 0.000 2.477 302 L HA 0.069 4.410 4.340 0.001 0.000 0.220 302 L C 0.504 177.174 176.870 -0.334 0.000 1.106 302 L CA 0.590 55.323 54.840 -0.178 0.000 0.851 302 L CB 0.291 42.201 42.059 -0.247 0.000 0.994 302 L HN 0.173 nan 8.230 nan 0.000 0.462 303 Y N -1.279 119.099 120.300 0.130 0.000 2.720 303 Y HA 0.312 4.863 4.550 0.001 0.000 0.277 303 Y C -0.262 175.634 175.900 -0.007 0.000 1.144 303 Y CA -0.550 57.595 58.100 0.076 0.000 1.221 303 Y CB 0.160 38.662 38.460 0.070 0.000 1.163 303 Y HN -0.117 nan 8.280 nan 0.000 0.537 304 F N 1.582 121.550 119.950 0.029 0.000 2.563 304 F HA 0.523 5.051 4.527 0.001 0.000 0.316 304 F C -2.264 173.503 175.800 -0.056 0.000 1.076 304 F CA -2.998 54.996 58.000 -0.010 0.000 0.921 304 F CB 1.658 40.641 39.000 -0.029 0.000 1.209 304 F HN -0.172 nan 8.300 nan 0.000 0.462 305 P HA -0.028 nan 4.420 nan 0.000 0.268 305 P C -0.288 177.033 177.300 0.034 0.000 1.205 305 P CA 0.155 63.273 63.100 0.029 0.000 0.771 305 P CB 0.734 32.438 31.700 0.006 0.000 0.858 306 E N 1.391 121.589 120.200 -0.003 0.000 2.165 306 E HA -0.251 4.099 4.350 0.001 0.000 0.203 306 E C 1.263 177.854 176.600 -0.015 0.000 1.335 306 E CA 0.326 56.716 56.400 -0.016 0.000 0.708 306 E CB -1.304 28.388 29.700 -0.013 0.000 1.105 306 E HN 0.733 nan 8.360 nan 0.000 0.346 307 G N 0.854 109.649 108.800 -0.009 0.000 2.517 307 G HA2 -0.280 3.681 3.960 0.001 0.000 0.222 307 G HA3 -0.280 3.681 3.960 0.001 0.000 0.222 307 G C 0.941 175.786 174.900 -0.092 0.000 1.109 307 G CA 1.045 46.138 45.100 -0.012 0.000 0.746 307 G HN 0.544 nan 8.290 nan 0.000 0.576 308 E N 0.166 120.304 120.200 -0.104 0.000 2.444 308 E HA 0.411 4.761 4.350 0.001 0.000 0.191 308 E C 0.723 177.277 176.600 -0.077 0.000 1.041 308 E CA -0.317 56.000 56.400 -0.140 0.000 0.883 308 E CB 0.627 30.223 29.700 -0.173 0.000 1.024 308 E HN 0.364 nan 8.360 nan 0.000 0.470 309 A N 1.170 123.970 122.820 -0.033 0.000 2.306 309 A HA 0.383 4.703 4.320 0.001 0.000 0.314 309 A C -0.783 176.851 177.584 0.084 0.000 1.164 309 A CA -0.515 51.542 52.037 0.033 0.000 0.822 309 A CB 0.314 19.324 19.000 0.016 0.000 1.130 309 A HN 0.212 nan 8.150 nan 0.000 0.496 310 F N 1.709 121.655 119.950 -0.006 0.000 2.438 310 F HA 0.410 4.937 4.527 0.001 0.000 0.360 310 F C 0.249 176.010 175.800 -0.065 0.000 1.118 310 F CA 0.036 58.024 58.000 -0.020 0.000 1.164 310 F CB 0.573 39.613 39.000 0.066 0.000 1.131 310 F HN 0.586 nan 8.300 nan 0.000 0.527 311 Q N 8.109 127.589 119.800 -0.533 0.000 2.891 311 Q HA 0.210 4.551 4.340 0.001 0.000 0.242 311 Q C -2.155 173.441 176.000 -0.674 0.000 0.959 311 Q CA -1.659 53.824 55.803 -0.534 0.000 0.707 311 Q CB 1.572 30.170 28.738 -0.233 0.000 1.283 311 Q HN 0.409 nan 8.270 nan 0.000 0.480 312 P HA -0.281 nan 4.420 nan 0.000 0.218 312 P C 1.158 178.152 177.300 -0.511 0.000 1.146 312 P CA 1.282 63.749 63.100 -1.055 0.000 0.813 312 P CB 0.254 30.660 31.700 -2.155 0.000 0.778 313 E N 0.421 120.447 120.200 -0.291 0.000 2.333 313 E HA -0.200 4.151 4.350 0.001 0.000 0.198 313 E C 1.677 178.246 176.600 -0.053 0.000 1.007 313 E CA 0.910 57.337 56.400 0.045 0.000 0.845 313 E CB -0.670 29.129 29.700 0.164 0.000 0.766 313 E HN 0.293 nan 8.360 nan 0.000 0.507 314 R N -0.223 120.166 120.500 -0.185 0.000 2.105 314 R HA -0.081 4.259 4.340 0.001 0.000 0.239 314 R C 1.429 177.445 176.300 -0.474 0.000 1.135 314 R CA 1.730 57.620 56.100 -0.351 0.000 0.967 314 R CB -0.312 29.657 30.300 -0.552 0.000 0.861 314 R HN 0.222 nan 8.270 nan 0.000 0.442 315 F N 0.114 120.017 119.950 -0.079 0.000 2.693 315 F HA 0.219 4.747 4.527 0.001 0.000 0.303 315 F C 0.984 176.806 175.800 0.036 0.000 1.097 315 F CA -0.249 57.736 58.000 -0.024 0.000 1.330 315 F CB 0.232 39.208 39.000 -0.039 0.000 1.067 315 F HN -0.116 nan 8.300 nan 0.000 0.565 320 G N 0.693 109.765 108.800 0.453 0.000 3.155 320 G HA2 -0.027 3.934 3.960 0.001 0.000 0.213 320 G HA3 -0.027 3.934 3.960 0.001 0.000 0.213 320 G C 0.137 175.355 174.900 0.529 0.000 1.196 320 G CA 0.116 45.580 45.100 0.606 0.000 0.846 320 G HN 0.450 nan 8.290 nan 0.000 0.516 321 T N 2.693 117.466 114.554 0.365 0.000 2.867 321 T HA 0.110 4.460 4.350 0.001 0.000 0.290 321 T C -2.125 172.765 174.700 0.318 0.000 1.025 321 T CA -0.223 62.041 62.100 0.273 0.000 1.146 321 T CB 0.844 69.832 68.868 0.200 0.000 1.024 321 T HN 0.044 nan 8.240 nan 0.000 0.519 322 P HA 0.190 nan 4.420 nan 0.000 0.263 322 P C -0.441 176.984 177.300 0.209 0.000 1.195 322 P CA -0.017 63.223 63.100 0.233 0.000 0.762 322 P CB 0.493 32.298 31.700 0.175 0.000 0.799 323 S N 0.973 116.821 115.700 0.247 0.000 2.671 323 S HA 0.581 5.051 4.470 0.001 0.000 0.277 323 S C 1.277 175.953 174.600 0.126 0.000 1.165 323 S CA -0.253 58.046 58.200 0.165 0.000 0.822 323 S CB 1.168 64.477 63.200 0.183 0.000 1.150 323 S HN 0.352 nan 8.310 nan 0.000 0.479 324 G N 0.564 109.368 108.800 0.007 0.000 2.470 324 G HA2 -0.118 3.842 3.960 0.001 0.000 0.220 324 G HA3 -0.118 3.842 3.960 0.001 0.000 0.220 324 G C 1.273 176.197 174.900 0.040 0.000 1.121 324 G CA 0.816 45.845 45.100 -0.117 0.000 0.766 324 G HN 0.915 nan 8.290 nan 0.000 0.553 325 R N -2.288 118.328 120.500 0.192 0.000 2.334 325 R HA 0.281 4.621 4.340 0.001 0.000 0.212 325 R C -0.252 176.470 176.300 0.703 0.000 0.897 325 R CA -0.274 56.029 56.100 0.338 0.000 1.056 325 R CB 0.117 30.480 30.300 0.105 0.000 1.046 325 R HN 0.205 nan 8.270 nan 0.000 0.513 326 Y N 1.517 122.134 120.300 0.528 0.000 2.422 326 Y HA 0.250 4.801 4.550 0.001 0.000 0.344 326 Y C -1.738 174.457 175.900 0.491 0.000 1.097 326 Y CA -2.589 55.819 58.100 0.514 0.000 1.307 326 Y CB 0.824 39.628 38.460 0.574 0.000 1.102 326 Y HN 0.174 nan 8.280 nan 0.000 0.520 327 F N 5.717 125.608 119.950 -0.099 0.000 2.576 327 F HA 0.523 5.051 4.527 0.001 0.000 0.365 327 F C -2.227 173.460 175.800 -0.188 0.000 1.506 327 F CA -2.018 55.910 58.000 -0.119 0.000 1.113 327 F CB 0.666 39.667 39.000 0.002 0.000 1.293 327 F HN 0.040 nan 8.300 nan 0.000 0.540 328 P HA -0.102 nan 4.420 nan 0.000 0.222 328 P C 0.568 177.522 177.300 -0.577 0.000 1.147 328 P CA 1.256 63.985 63.100 -0.618 0.000 0.790 328 P CB -0.025 31.228 31.700 -0.745 0.000 0.780 329 F N -0.709 119.169 119.950 -0.120 0.000 2.661 329 F HA 0.428 4.956 4.527 0.001 0.000 0.306 329 F C 1.662 177.485 175.800 0.038 0.000 1.094 329 F CA 0.515 58.502 58.000 -0.021 0.000 1.254 329 F CB 0.353 39.354 39.000 0.002 0.000 1.040 329 F HN 0.047 nan 8.300 nan 0.000 0.562 330 G N 1.217 110.149 108.800 0.219 0.000 2.587 330 G HA2 -0.121 3.840 3.960 0.001 0.000 0.212 330 G HA3 -0.121 3.840 3.960 0.001 0.000 0.212 330 G C -1.473 173.572 174.900 0.242 0.000 1.327 330 G CA -0.398 44.863 45.100 0.269 0.000 0.898 330 G HN 0.340 nan 8.290 nan 0.000 0.551 331 L N -0.600 120.709 121.223 0.144 0.000 2.643 331 L HA 0.655 4.996 4.340 0.001 0.000 0.256 331 L C 0.660 177.554 176.870 0.041 0.000 0.931 331 L CA 0.833 55.727 54.840 0.091 0.000 0.895 331 L CB 1.520 43.608 42.059 0.047 0.000 1.430 331 L HN 3.043 nan 8.230 nan 0.000 0.419 332 G N 2.430 111.258 108.800 0.046 0.000 2.508 332 G HA2 -0.220 3.741 3.960 0.001 0.000 0.220 332 G HA3 -0.220 3.741 3.960 0.001 0.000 0.220 332 G C 0.172 175.107 174.900 0.058 0.000 1.287 332 G CA 0.288 45.407 45.100 0.032 0.000 0.916 332 G HN 0.732 nan 8.290 nan 0.000 0.574 333 Q N -0.240 119.590 119.800 0.051 0.000 2.170 333 Q HA -0.069 4.271 4.340 0.001 0.000 0.203 333 Q C 2.179 178.271 176.000 0.154 0.000 0.976 333 Q CA 1.252 57.134 55.803 0.132 0.000 0.858 333 Q CB -0.061 28.749 28.738 0.121 0.000 0.907 333 Q HN 0.376 nan 8.270 nan 0.000 0.433 334 R N 0.685 121.178 120.500 -0.011 0.000 2.391 334 R HA 0.136 4.476 4.340 0.001 0.000 0.249 334 R C 0.154 176.487 176.300 0.055 0.000 0.957 334 R CA -0.283 55.797 56.100 -0.034 0.000 1.093 334 R CB -0.891 29.271 30.300 -0.231 0.000 1.156 334 R HN 0.133 nan 8.270 nan 0.000 0.526 335 L N 1.279 122.559 121.223 0.094 0.000 2.559 335 L HA -0.051 4.289 4.340 0.001 0.000 0.282 335 L C 0.377 177.310 176.870 0.106 0.000 1.232 335 L CA -0.092 54.814 54.840 0.110 0.000 0.885 335 L CB 0.338 42.459 42.059 0.103 0.000 1.131 335 L HN 0.302 nan 8.230 nan 0.000 0.498 336 C N 6.130 125.513 119.300 0.137 0.000 2.298 336 C HA -0.067 4.393 4.460 0.001 0.000 0.395 336 C C 1.888 176.877 174.990 -0.001 0.000 1.526 336 C CA 0.113 59.201 59.018 0.116 0.000 1.458 336 C CB -1.405 26.518 27.740 0.306 0.000 2.506 336 C HN 0.966 nan 8.230 nan 0.000 0.604 337 L N 6.038 127.201 121.223 -0.099 0.000 2.131 337 L HA 0.163 4.504 4.340 0.001 0.000 0.210 337 L C 2.169 178.805 176.870 -0.390 0.000 1.092 337 L CA 2.417 57.096 54.840 -0.270 0.000 0.759 337 L CB -0.577 41.205 42.059 -0.462 0.000 0.903 337 L HN 0.898 nan 8.230 nan 0.000 0.435 338 G N -1.483 107.129 108.800 -0.312 0.000 3.314 338 G HA2 -0.032 3.929 3.960 0.001 0.000 0.238 338 G HA3 -0.032 3.929 3.960 0.001 0.000 0.238 338 G C 1.473 176.425 174.900 0.087 0.000 1.184 338 G CA 0.190 45.247 45.100 -0.071 0.000 0.806 338 G HN 0.357 nan 8.290 nan 0.000 0.536 339 R N 0.672 121.097 120.500 -0.125 0.000 2.097 339 R HA -0.130 4.211 4.340 0.001 0.000 0.236 339 R C 1.723 177.845 176.300 -0.297 0.000 1.135 339 R CA 2.093 57.845 56.100 -0.580 0.000 0.934 339 R CB -0.203 29.700 30.300 -0.662 0.000 0.846 339 R HN 0.184 nan 8.270 nan 0.000 0.431 340 D N -0.364 120.001 120.400 -0.058 0.000 2.144 340 D HA -0.184 4.457 4.640 0.001 0.000 0.199 340 D C 1.667 178.052 176.300 0.142 0.000 0.984 340 D CA 1.093 55.114 54.000 0.035 0.000 0.834 340 D CB -0.273 40.570 40.800 0.071 0.000 0.955 340 D HN 0.224 nan 8.370 nan 0.000 0.465 341 F N 1.917 121.939 119.950 0.121 0.000 2.075 341 F HA -0.175 4.353 4.527 0.001 0.000 0.297 341 F C 2.300 178.184 175.800 0.140 0.000 1.113 341 F CA 1.704 59.818 58.000 0.189 0.000 1.218 341 F CB -0.248 38.949 39.000 0.328 0.000 0.984 341 F HN -0.074 nan 8.300 nan 0.000 0.472 342 A N 0.341 123.433 122.820 0.453 0.000 1.930 342 A HA -0.105 4.216 4.320 0.001 0.000 0.217 342 A C 2.174 179.912 177.584 0.257 0.000 1.175 342 A CA 1.530 53.810 52.037 0.405 0.000 0.627 342 A CB -1.208 18.144 19.000 0.587 0.000 0.815 342 A HN 0.480 nan 8.150 nan 0.000 0.443 343 L N -0.825 120.509 121.223 0.186 0.000 2.549 343 L HA -0.070 4.270 4.340 0.001 0.000 0.229 343 L C 2.205 179.082 176.870 0.012 0.000 1.158 343 L CA 0.278 55.217 54.840 0.165 0.000 0.842 343 L CB -0.233 41.896 42.059 0.116 0.000 0.952 343 L HN 0.456 nan 8.230 nan 0.000 0.452 344 L N -0.992 120.200 121.223 -0.051 0.000 2.269 344 L HA 0.040 4.380 4.340 0.001 0.000 0.200 344 L C 2.254 179.014 176.870 -0.184 0.000 1.069 344 L CA 1.303 56.076 54.840 -0.113 0.000 0.804 344 L CB -0.203 41.774 42.059 -0.137 0.000 0.987 344 L HN 0.062 nan 8.230 nan 0.000 0.468 345 E N 0.020 120.087 120.200 -0.221 0.000 2.049 345 E HA -0.214 4.136 4.350 0.001 0.000 0.198 345 E C 1.959 178.386 176.600 -0.288 0.000 1.007 345 E CA 1.300 57.571 56.400 -0.214 0.000 0.809 345 E CB -0.635 29.000 29.700 -0.109 0.000 0.749 345 E HN 0.662 nan 8.360 nan 0.000 0.450 346 G N 1.846 110.310 108.800 -0.560 0.000 2.628 346 G HA2 -0.255 3.705 3.960 0.001 0.000 0.217 346 G HA3 -0.255 3.705 3.960 0.001 0.000 0.217 346 G C -0.874 173.581 174.900 -0.741 0.000 1.240 346 G CA 1.187 45.523 45.100 -1.273 0.000 0.792 346 G HN 0.243 nan 8.290 nan 0.000 0.593 347 P HA -0.056 nan 4.420 nan 0.000 0.215 347 P C 1.995 179.268 177.300 -0.044 0.000 1.153 347 P CA 0.815 63.823 63.100 -0.154 0.000 0.853 347 P CB -0.082 31.580 31.700 -0.063 0.000 0.788 348 I N -1.249 119.280 120.570 -0.069 0.000 2.163 348 I HA -0.234 3.936 4.170 0.001 0.000 0.243 348 I C 2.159 178.328 176.117 0.087 0.000 1.085 348 I CA 1.490 62.794 61.300 0.007 0.000 1.347 348 I CB -0.660 37.321 38.000 -0.032 0.000 1.044 348 I HN -0.152 nan 8.210 nan 0.000 0.408 349 V N 1.004 120.952 119.914 0.057 0.000 2.270 349 V HA -0.272 3.849 4.120 0.001 0.000 0.245 349 V C 2.372 178.675 176.094 0.349 0.000 1.043 349 V CA 1.674 64.102 62.300 0.214 0.000 1.014 349 V CB -0.497 31.403 31.823 0.129 0.000 0.645 349 V HN 0.350 nan 8.190 nan 0.000 0.447 350 L N -0.289 121.056 121.223 0.203 0.000 2.012 350 L HA -0.239 4.101 4.340 0.001 0.000 0.210 350 L C 2.730 179.898 176.870 0.497 0.000 1.073 350 L CA 2.193 57.235 54.840 0.337 0.000 0.748 350 L CB -0.645 41.557 42.059 0.238 0.000 0.891 350 L HN 0.281 nan 8.230 nan 0.000 0.431 351 R N 0.255 120.957 120.500 0.336 0.000 2.092 351 R HA -0.141 4.200 4.340 0.001 0.000 0.231 351 R C 2.330 178.803 176.300 0.288 0.000 1.119 351 R CA 1.337 57.622 56.100 0.308 0.000 0.970 351 R CB -0.218 30.199 30.300 0.196 0.000 0.864 351 R HN 0.330 nan 8.270 nan 0.000 0.440 352 A N 0.157 123.157 122.820 0.300 0.000 1.898 352 A HA -0.163 4.157 4.320 0.001 0.000 0.216 352 A C 1.979 179.705 177.584 0.237 0.000 1.181 352 A CA 1.231 53.459 52.037 0.319 0.000 0.620 352 A CB -0.735 18.524 19.000 0.432 0.000 0.819 352 A HN 0.534 nan 8.150 nan 0.000 0.442 353 F N -0.524 119.418 119.950 -0.013 0.000 2.113 353 F HA -0.071 4.456 4.527 0.001 0.000 0.297 353 F C 1.695 177.321 175.800 -0.291 0.000 1.103 353 F CA 1.512 59.185 58.000 -0.544 0.000 1.248 353 F CB -0.277 38.197 39.000 -0.876 0.000 0.999 353 F HN 0.181 nan 8.300 nan 0.000 0.475 354 F N 0.650 120.710 119.950 0.182 0.000 2.604 354 F HA 0.056 4.584 4.527 0.001 0.000 0.298 354 F C 2.246 178.033 175.800 -0.021 0.000 1.131 354 F CA 0.709 58.769 58.000 0.101 0.000 1.457 354 F CB -0.619 38.545 39.000 0.273 0.000 1.095 354 F HN -0.104 nan 8.300 nan 0.000 0.574 355 R N -0.498 120.056 120.500 0.089 0.000 2.193 355 R HA 0.031 4.371 4.340 0.001 0.000 0.213 355 R C 2.071 178.294 176.300 -0.128 0.000 1.055 355 R CA 0.477 56.593 56.100 0.026 0.000 0.995 355 R CB 0.049 30.383 30.300 0.055 0.000 0.893 355 R HN 0.197 nan 8.270 nan 0.000 0.459 356 R N -0.728 119.577 120.500 -0.325 0.000 2.142 356 R HA 0.189 4.530 4.340 0.001 0.000 0.204 356 R C 0.277 175.986 176.300 -0.986 0.000 1.059 356 R CA 0.820 56.491 56.100 -0.715 0.000 1.055 356 R CB 0.395 30.099 30.300 -0.994 0.000 0.976 356 R HN -0.019 nan 8.270 nan 0.000 0.483 357 F N -0.377 119.227 119.950 -0.577 0.000 2.679 357 F HA 0.535 5.063 4.527 0.001 0.000 0.341 357 F C 0.508 176.192 175.800 -0.193 0.000 1.095 357 F CA -1.071 56.624 58.000 -0.510 0.000 1.004 357 F CB 0.820 39.285 39.000 -0.892 0.000 1.388 357 F HN -0.432 nan 8.300 nan 0.000 0.505 358 R N 0.556 121.204 120.500 0.247 0.000 2.837 358 R HA 0.714 5.054 4.340 0.001 0.000 0.271 358 R C -1.680 174.848 176.300 0.380 0.000 0.993 358 R CA -0.953 55.381 56.100 0.391 0.000 0.931 358 R CB 2.338 32.789 30.300 0.252 0.000 1.206 358 R HN 0.602 nan 8.270 nan 0.000 0.474 359 L N 1.257 122.739 121.223 0.431 0.000 2.365 359 L HA 0.390 4.731 4.340 0.001 0.000 0.273 359 L C -0.357 176.625 176.870 0.188 0.000 1.000 359 L CA -0.983 54.029 54.840 0.286 0.000 0.819 359 L CB 2.128 44.369 42.059 0.304 0.000 1.284 359 L HN 0.360 nan 8.230 nan 0.000 0.418 360 D N 3.245 123.715 120.400 0.118 0.000 2.344 360 D HA 0.200 4.840 4.640 0.001 0.000 0.244 360 D C -2.216 174.134 176.300 0.083 0.000 1.134 360 D CA -1.094 52.963 54.000 0.095 0.000 0.930 360 D CB 0.637 41.476 40.800 0.065 0.000 1.175 360 D HN 0.232 nan 8.370 nan 0.000 0.437 361 P HA 0.038 nan 4.420 nan 0.000 0.263 361 P C -0.558 176.803 177.300 0.101 0.000 1.195 361 P CA 0.181 63.380 63.100 0.165 0.000 0.762 361 P CB 0.494 32.338 31.700 0.239 0.000 0.799 362 L N 6.230 127.458 121.223 0.008 0.000 2.309 362 L HA 0.438 4.779 4.340 0.001 0.000 0.282 362 L C -1.740 175.158 176.870 0.046 0.000 1.036 362 L CA -2.616 52.210 54.840 -0.023 0.000 0.806 362 L CB 1.437 43.414 42.059 -0.136 0.000 1.220 362 L HN 0.223 nan 8.230 nan 0.000 0.429 363 P HA 0.024 nan 4.420 nan 0.000 0.269 363 P C -0.830 176.496 177.300 0.042 0.000 1.209 363 P CA -0.094 63.040 63.100 0.058 0.000 0.776 363 P CB 0.387 32.129 31.700 0.070 0.000 0.876 364 F N 3.892 123.931 119.950 0.148 0.000 2.502 364 F HA 0.176 4.703 4.527 0.001 0.000 0.371 364 F C -0.699 175.179 175.800 0.130 0.000 1.083 364 F CA -0.921 57.181 58.000 0.170 0.000 1.174 364 F CB -0.347 38.751 39.000 0.163 0.000 1.096 364 F HN 0.242 nan 8.300 nan 0.000 0.545 365 P HA 0.212 nan 4.420 nan 0.000 0.278 365 P C -0.650 176.796 177.300 0.243 0.000 1.258 365 P CA -0.880 62.336 63.100 0.193 0.000 0.811 365 P CB 0.955 32.708 31.700 0.089 0.000 1.063 366 R N 0.514 121.105 120.500 0.152 0.000 2.590 366 R HA 0.241 4.582 4.340 0.001 0.000 0.274 366 R C -0.709 175.690 176.300 0.165 0.000 1.061 366 R CA -0.303 55.869 56.100 0.121 0.000 1.081 366 R CB 0.187 30.520 30.300 0.055 0.000 0.984 366 R HN 0.225 nan 8.270 nan 0.000 0.448 367 V N 6.635 126.622 119.914 0.122 0.000 2.406 367 V HA 0.218 4.339 4.120 0.001 0.000 0.272 367 V C 0.213 176.285 176.094 -0.038 0.000 1.043 367 V CA -0.472 61.895 62.300 0.113 0.000 0.915 367 V CB 1.131 32.922 31.823 -0.052 0.000 0.988 367 V HN 0.609 nan 8.190 nan 0.000 0.466 368 L N 4.616 125.841 121.223 0.003 0.000 2.264 368 L HA 0.604 4.945 4.340 0.001 0.000 0.289 368 L C 0.654 177.403 176.870 -0.203 0.000 1.044 368 L CA -0.497 54.290 54.840 -0.088 0.000 0.807 368 L CB 1.410 43.456 42.059 -0.021 0.000 1.192 368 L HN 0.705 nan 8.230 nan 0.000 0.425 369 A N 4.670 127.256 122.820 -0.389 0.000 2.807 369 A HA 0.399 4.719 4.320 0.001 0.000 0.307 369 A C 0.225 177.700 177.584 -0.182 0.000 1.532 369 A CA -0.321 51.285 52.037 -0.719 0.000 1.215 369 A CB -0.036 18.165 19.000 -1.332 0.000 1.127 369 A HN 0.871 nan 8.150 nan 0.000 0.543 370 Q N 0.741 120.568 119.800 0.045 0.000 3.082 370 Q HA 0.307 4.648 4.340 0.001 0.000 0.197 370 Q C 1.272 177.489 176.000 0.363 0.000 1.138 370 Q CA -0.665 55.254 55.803 0.193 0.000 0.544 370 Q CB 0.002 28.805 28.738 0.109 0.000 4.702 370 Q HN 0.276 nan 8.270 nan 0.000 0.323 371 V N 0.724 120.777 119.914 0.232 0.000 2.392 371 V HA -0.167 3.954 4.120 0.001 0.000 0.249 371 V C 1.223 177.466 176.094 0.250 0.000 1.059 371 V CA 2.045 64.464 62.300 0.198 0.000 1.051 371 V CB -0.949 30.950 31.823 0.127 0.000 0.658 371 V HN 0.860 nan 8.190 nan 0.000 0.455 372 T N -3.335 111.377 114.554 0.263 0.000 2.838 372 T HA 0.606 4.956 4.350 0.001 0.000 0.292 372 T C -0.766 174.097 174.700 0.272 0.000 1.113 372 T CA -0.813 61.464 62.100 0.294 0.000 1.008 372 T CB 1.705 70.684 68.868 0.185 0.000 1.259 372 T HN -0.023 nan 8.240 nan 0.000 0.520 373 L N 1.886 123.267 121.223 0.264 0.000 2.410 373 L HA 0.484 4.824 4.340 0.001 0.000 0.273 373 L C 0.595 177.736 176.870 0.451 0.000 1.144 373 L CA -0.502 54.446 54.840 0.179 0.000 0.863 373 L CB 0.197 42.294 42.059 0.064 0.000 1.140 373 L HN 0.463 nan 8.230 nan 0.000 0.463 374 R N 4.260 124.957 120.500 0.327 0.000 2.744 374 R HA 0.496 4.836 4.340 0.001 0.000 0.279 374 R C -2.653 173.758 176.300 0.186 0.000 0.977 374 R CA -2.102 54.112 56.100 0.189 0.000 0.906 374 R CB 2.234 32.562 30.300 0.047 0.000 1.197 374 R HN 0.279 nan 8.270 nan 0.000 0.463 375 P HA 0.111 nan 4.420 nan 0.000 0.287 375 P C -0.545 176.723 177.300 -0.052 0.000 1.281 375 P CA -0.314 62.709 63.100 -0.128 0.000 0.781 375 P CB 0.883 32.261 31.700 -0.538 0.000 0.903 376 E N 2.714 122.928 120.200 0.023 0.000 2.417 376 E HA 0.186 4.537 4.350 0.001 0.000 0.261 376 E C 1.097 177.684 176.600 -0.021 0.000 1.000 376 E CA 0.622 57.024 56.400 0.003 0.000 0.919 376 E CB -0.506 29.206 29.700 0.020 0.000 0.955 376 E HN 0.801 nan 8.360 nan 0.000 0.455 377 G N 2.953 111.733 108.800 -0.033 0.000 2.162 377 G HA2 -0.253 3.707 3.960 0.001 0.000 0.260 377 G HA3 -0.253 3.707 3.960 0.001 0.000 0.260 377 G C 0.729 175.588 174.900 -0.068 0.000 0.976 377 G CA 0.217 45.290 45.100 -0.044 0.000 0.655 377 G HN 1.472 nan 8.290 nan 0.000 0.533 378 G N -1.203 107.545 108.800 -0.088 0.000 2.562 378 G HA2 0.135 4.096 3.960 0.001 0.000 0.250 378 G HA3 0.135 4.096 3.960 0.001 0.000 0.250 378 G C -0.204 174.601 174.900 -0.158 0.000 1.269 378 G CA 0.306 45.335 45.100 -0.119 0.000 0.919 378 G HN 1.847 nan 8.290 nan 0.000 0.574 379 L N 1.527 122.655 121.223 -0.158 0.000 2.489 379 L HA 0.590 4.930 4.340 0.001 0.000 0.257 379 L C -2.389 174.394 176.870 -0.145 0.000 1.215 379 L CA -1.484 53.252 54.840 -0.173 0.000 0.915 379 L CB 1.659 43.576 42.059 -0.236 0.000 1.146 379 L HN 0.336 nan 8.230 nan 0.000 0.494 380 P HA 0.479 nan 4.420 nan 0.000 0.268 380 P C -1.036 176.186 177.300 -0.130 0.000 1.204 380 P CA 0.021 63.047 63.100 -0.125 0.000 0.768 380 P CB 1.136 32.775 31.700 -0.101 0.000 0.842 381 A N 3.345 126.073 122.820 -0.153 0.000 2.589 381 A HA 0.591 4.911 4.320 0.001 0.000 0.296 381 A C -1.003 176.489 177.584 -0.153 0.000 1.062 381 A CA -0.777 51.175 52.037 -0.142 0.000 0.686 381 A CB 1.477 20.373 19.000 -0.172 0.000 1.282 381 A HN 0.436 nan 8.150 nan 0.000 0.404 382 R N 1.755 122.192 120.500 -0.105 0.000 2.272 382 R HA 0.426 4.766 4.340 0.001 0.000 0.323 382 R C -2.839 173.419 176.300 -0.070 0.000 1.002 382 R CA -1.589 54.449 56.100 -0.104 0.000 0.900 382 R CB 1.153 31.414 30.300 -0.066 0.000 1.151 382 R HN 0.393 nan 8.270 nan 0.000 0.507 383 P HA -0.003 nan 4.420 nan 0.000 0.263 383 P C -0.685 176.627 177.300 0.020 0.000 1.195 383 P CA 0.023 63.028 63.100 -0.160 0.000 0.762 383 P CB 0.651 31.892 31.700 -0.764 0.000 0.799 384 R N 3.280 123.877 120.500 0.161 0.000 2.255 384 R HA 0.317 4.658 4.340 0.001 0.000 0.326 384 R C 0.582 177.039 176.300 0.262 0.000 0.986 384 R CA -0.380 55.830 56.100 0.183 0.000 0.847 384 R CB 0.614 30.992 30.300 0.131 0.000 1.111 384 R HN 0.539 nan 8.270 nan 0.000 0.452 385 E N 0.000 120.329 120.200 0.214 0.000 2.725 385 E HA 0.000 4.350 4.350 0.001 0.000 0.291 385 E CA 0.000 56.432 56.400 0.054 0.000 0.976 385 E CB 0.000 29.714 29.700 0.023 0.000 0.812 385 E HN 0.000 nan 8.360 nan 0.000 0.440