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 1xon_1_B DATA FIRST_RESID 86 DATA SEQUENCE TEQEDVLAKE LEDVNKWGLH VFRIAELSGN RPLTVIMHTI FQERDLLKTF DATA SEQUENCE KIPVDTLITY LMTLEDHYHA DVAYHNNIHA ADVVQSTHVL LSTPALEAVF DATA SEQUENCE TDLEILAAIF ASAIHDVDHP GVSNQFLINT NSELALMYND SSVLENHHLA DATA SEQUENCE VGFKLLQEEN CDIFQNLTKK QRQSLRKMVI DIVLATDMSK HMNLLADLKT DATA SEQUENCE MVETKKVTSS GVLLLDNYSD RIQVLQNMVH CADLSNPTKP LQLYRQWTDR DATA SEQUENCE IMEEFFRQGD RERERGMEIS PMCDKHNASV EKSQVGFIDY IVHPLWETWA DATA SEQUENCE DLVHPDAQDI LDTLEDNREW YQSTIP 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 86 T HA 0.000 nan 4.350 nan 0.000 0.228 86 T C 0.000 174.700 174.700 0.001 0.000 1.109 86 T CA 0.000 62.100 62.100 0.001 0.000 1.349 86 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 87 E N -0.004 120.196 120.200 0.000 0.000 2.106 87 E HA -0.205 4.192 4.350 0.078 0.000 0.192 87 E C 1.813 178.413 176.600 0.001 0.000 0.984 87 E CA 1.437 57.837 56.400 0.000 0.000 0.806 87 E CB -0.040 29.660 29.700 -0.000 0.000 0.750 87 E HN 0.656 nan 8.360 nan 0.000 0.458 88 Q N 0.277 120.077 119.800 0.000 0.000 2.084 88 Q HA -0.200 4.187 4.340 0.078 0.000 0.202 88 Q C 1.784 177.784 176.000 0.001 0.000 0.978 88 Q CA 1.670 57.473 55.803 0.000 0.000 0.844 88 Q CB 0.118 28.855 28.738 -0.001 0.000 0.898 88 Q HN 0.312 nan 8.270 nan 0.000 0.426 89 E N 0.021 120.222 120.200 0.001 0.000 2.106 89 E HA -0.160 4.237 4.350 0.078 0.000 0.192 89 E C 1.572 178.174 176.600 0.002 0.000 0.984 89 E CA 1.097 57.498 56.400 0.003 0.000 0.806 89 E CB 0.118 29.821 29.700 0.004 0.000 0.750 89 E HN 0.341 nan 8.360 nan 0.000 0.458 90 D N -0.088 120.313 120.400 0.002 0.000 2.117 90 D HA -0.106 4.581 4.640 0.078 0.000 0.198 90 D C 1.947 178.248 176.300 0.001 0.000 0.982 90 D CA 0.690 54.691 54.000 0.001 0.000 0.828 90 D CB -0.030 40.771 40.800 0.001 0.000 0.967 90 D HN -0.021 nan 8.370 nan 0.000 0.464 91 V N 0.945 120.860 119.914 0.003 0.000 2.427 91 V HA -0.181 3.986 4.120 0.078 0.000 0.248 91 V C 2.392 178.488 176.094 0.004 0.000 1.051 91 V CA 0.936 63.239 62.300 0.005 0.000 1.048 91 V CB -0.361 31.467 31.823 0.008 0.000 0.666 91 V HN 0.166 nan 8.190 nan 0.000 0.456 92 L N 1.185 122.410 121.223 0.002 0.000 2.017 92 L HA -0.066 4.321 4.340 0.078 0.000 0.208 92 L C 2.442 179.309 176.870 -0.006 0.000 1.073 92 L CA 2.435 57.275 54.840 -0.000 0.000 0.745 92 L CB -0.986 41.073 42.059 -0.000 0.000 0.894 92 L HN 0.200 nan 8.230 nan 0.000 0.432 93 A N -0.589 122.228 122.820 -0.005 0.000 1.933 93 A HA -0.249 4.118 4.320 0.078 0.000 0.218 93 A C 2.355 179.931 177.584 -0.014 0.000 1.175 93 A CA 1.934 53.966 52.037 -0.009 0.000 0.628 93 A CB -0.603 18.394 19.000 -0.005 0.000 0.814 93 A HN 0.462 nan 8.150 nan 0.000 0.444 94 K N 0.074 120.467 120.400 -0.012 0.000 2.057 94 K HA -0.096 4.271 4.320 0.078 0.000 0.206 94 K C 1.827 178.407 176.600 -0.032 0.000 1.050 94 K CA 1.562 57.838 56.287 -0.017 0.000 0.935 94 K CB -0.142 32.352 32.500 -0.009 0.000 0.715 94 K HN 0.411 nan 8.250 nan 0.000 0.439 95 E N 0.422 120.604 120.200 -0.030 0.000 2.106 95 E HA -0.137 4.260 4.350 0.078 0.000 0.192 95 E C 1.942 178.504 176.600 -0.063 0.000 0.984 95 E CA 0.971 57.339 56.400 -0.054 0.000 0.806 95 E CB -0.141 29.549 29.700 -0.017 0.000 0.750 95 E HN 0.351 nan 8.360 nan 0.000 0.458 96 L N 1.016 122.215 121.223 -0.040 0.000 2.456 96 L HA -0.109 4.278 4.340 0.078 0.000 0.224 96 L C 2.036 178.887 176.870 -0.033 0.000 1.148 96 L CA 0.613 55.430 54.840 -0.038 0.000 0.825 96 L CB -0.243 41.797 42.059 -0.031 0.000 0.937 96 L HN 0.070 nan 8.230 nan 0.000 0.450 97 E N -0.059 120.121 120.200 -0.033 0.000 2.268 97 E HA -0.175 4.222 4.350 0.078 0.000 0.195 97 E C 0.550 177.138 176.600 -0.020 0.000 0.995 97 E CA 0.718 57.105 56.400 -0.023 0.000 0.836 97 E CB 0.014 29.701 29.700 -0.022 0.000 0.763 97 E HN 0.488 nan 8.360 nan 0.000 0.491 98 D N 0.454 120.828 120.400 -0.044 0.000 2.336 98 D HA -0.026 4.660 4.640 0.078 0.000 0.228 98 D C 1.418 177.718 176.300 -0.001 0.000 1.120 98 D CA 0.050 54.026 54.000 -0.041 0.000 0.839 98 D CB 0.538 41.268 40.800 -0.116 0.000 0.932 98 D HN -0.025 nan 8.370 nan 0.000 0.509 99 V N 1.068 120.993 119.914 0.018 0.000 2.720 99 V HA -0.200 3.967 4.120 0.078 0.000 0.256 99 V C 1.083 177.286 176.094 0.182 0.000 1.082 99 V CA 1.473 63.806 62.300 0.054 0.000 1.101 99 V CB -0.174 31.651 31.823 0.003 0.000 0.693 99 V HN 0.163 nan 8.190 nan 0.000 0.479 100 N N 0.180 118.983 118.700 0.173 0.000 2.322 100 N HA 0.108 4.895 4.740 0.078 0.000 0.194 100 N C 0.168 175.756 175.510 0.130 0.000 1.126 100 N CA 0.285 53.445 53.050 0.183 0.000 0.845 100 N CB 0.190 38.759 38.487 0.137 0.000 0.976 100 N HN 0.556 nan 8.380 nan 0.000 0.475 101 K N -0.232 120.240 120.400 0.121 0.000 2.164 101 K HA 0.187 4.554 4.320 0.078 0.000 0.258 101 K C -0.521 176.194 176.600 0.191 0.000 0.951 101 K CA -0.700 55.668 56.287 0.135 0.000 0.844 101 K CB 1.894 34.439 32.500 0.074 0.000 1.099 101 K HN 0.070 nan 8.250 nan 0.000 0.435 102 W N 1.958 123.260 121.300 0.003 0.000 2.303 102 W HA 0.098 4.810 4.660 0.087 0.000 0.318 102 W C 0.499 177.024 176.519 0.010 0.000 1.362 102 W CA 1.268 58.611 57.345 -0.003 0.000 1.234 102 W CB 0.756 30.199 29.460 -0.029 0.000 1.248 102 W HN 0.984 nan 8.180 nan 0.000 0.546 103 G N 4.218 112.925 108.800 -0.155 0.000 2.138 103 G HA2 -0.290 3.717 3.960 0.078 0.000 0.193 103 G HA3 -0.290 3.717 3.960 0.078 0.000 0.193 103 G C -0.439 174.482 174.900 0.034 0.000 0.998 103 G CA -0.260 44.818 45.100 -0.036 0.000 0.668 103 G HN 0.586 nan 8.290 nan 0.000 0.516 104 L N 1.572 122.774 121.223 -0.035 0.000 2.573 104 L HA 0.260 4.647 4.340 0.078 0.000 0.290 104 L C 1.005 177.920 176.870 0.074 0.000 1.247 104 L CA 0.403 55.220 54.840 -0.038 0.000 0.876 104 L CB -0.049 41.974 42.059 -0.060 0.000 1.123 104 L HN 0.373 nan 8.230 nan 0.000 0.505 105 H N 4.635 123.683 119.070 -0.037 0.000 3.195 105 H HA 0.035 4.594 4.556 0.005 0.000 0.241 105 H C 1.163 176.451 175.328 -0.066 0.000 1.823 105 H CA -0.204 55.828 56.048 -0.026 0.000 1.466 105 H CB 0.441 30.198 29.762 -0.008 0.000 1.819 105 H HN 0.663 nan 8.280 nan 0.000 0.575 106 V N 2.044 121.934 119.914 -0.041 0.000 2.515 106 V HA -0.262 3.905 4.120 0.078 0.000 0.250 106 V C 1.415 177.351 176.094 -0.265 0.000 1.058 106 V CA 1.699 63.881 62.300 -0.198 0.000 1.064 106 V CB -0.453 31.197 31.823 -0.289 0.000 0.675 106 V HN 0.520 nan 8.190 nan 0.000 0.461 107 F N 0.541 120.435 119.950 -0.094 0.000 2.206 107 F HA 0.011 4.579 4.527 0.069 0.000 0.298 107 F C 2.562 178.305 175.800 -0.094 0.000 1.090 107 F CA 1.531 59.442 58.000 -0.149 0.000 1.323 107 F CB -0.596 38.258 39.000 -0.243 0.000 1.028 107 F HN 0.048 nan 8.300 nan 0.000 0.492 108 R N 0.237 120.802 120.500 0.108 0.000 2.081 108 R HA -0.125 4.262 4.340 0.078 0.000 0.235 108 R C 2.223 178.544 176.300 0.035 0.000 1.131 108 R CA 1.576 57.714 56.100 0.062 0.000 0.960 108 R CB -0.705 29.646 30.300 0.085 0.000 0.856 108 R HN 0.297 nan 8.270 nan 0.000 0.436 109 I N 0.673 121.255 120.570 0.020 0.000 2.286 109 I HA -0.262 3.955 4.170 0.078 0.000 0.248 109 I C 2.577 178.682 176.117 -0.021 0.000 1.115 109 I CA 1.167 62.462 61.300 -0.009 0.000 1.392 109 I CB -0.302 37.681 38.000 -0.029 0.000 1.065 109 I HN 0.197 nan 8.210 nan 0.000 0.418 110 A N 0.339 123.140 122.820 -0.030 0.000 1.902 110 A HA -0.228 4.138 4.320 0.078 0.000 0.217 110 A C 2.213 179.791 177.584 -0.010 0.000 1.181 110 A CA 1.719 53.738 52.037 -0.030 0.000 0.623 110 A CB -0.529 18.453 19.000 -0.030 0.000 0.818 110 A HN 0.443 nan 8.150 nan 0.000 0.443 111 E N -0.215 119.987 120.200 0.003 0.000 2.047 111 E HA -0.111 4.286 4.350 0.078 0.000 0.191 111 E C 1.927 178.525 176.600 -0.004 0.000 0.987 111 E CA 1.143 57.543 56.400 -0.000 0.000 0.799 111 E CB -0.289 29.412 29.700 0.001 0.000 0.752 111 E HN 0.608 nan 8.360 nan 0.000 0.449 112 L N 1.010 122.232 121.223 -0.001 0.000 2.201 112 L HA -0.110 4.277 4.340 0.078 0.000 0.212 112 L C 2.355 179.222 176.870 -0.005 0.000 1.105 112 L CA 1.062 55.901 54.840 -0.002 0.000 0.775 112 L CB -0.257 41.804 42.059 0.003 0.000 0.913 112 L HN 0.150 nan 8.230 nan 0.000 0.440 113 S N -0.808 114.886 115.700 -0.009 0.000 2.605 113 S HA 0.212 4.729 4.470 0.078 0.000 0.217 113 S C 1.287 175.878 174.600 -0.014 0.000 0.958 113 S CA 0.182 58.374 58.200 -0.012 0.000 0.919 113 S CB 0.273 63.462 63.200 -0.018 0.000 0.780 113 S HN 0.468 nan 8.310 nan 0.000 0.507 114 G N 2.126 110.918 108.800 -0.013 0.000 2.298 114 G HA2 -0.312 3.695 3.960 0.078 0.000 0.287 114 G HA3 -0.312 3.695 3.960 0.078 0.000 0.287 114 G C 0.168 175.058 174.900 -0.016 0.000 1.075 114 G CA 0.003 45.095 45.100 -0.013 0.000 0.960 114 G HN 0.898 nan 8.290 nan 0.000 0.502 115 N N -1.471 117.219 118.700 -0.017 0.000 2.740 115 N HA -0.188 4.599 4.740 0.078 0.000 0.248 115 N C 0.853 176.345 175.510 -0.030 0.000 1.062 115 N CA 1.462 54.499 53.050 -0.020 0.000 0.704 115 N CB -0.247 38.232 38.487 -0.012 0.000 0.968 115 N HN 0.660 nan 8.380 nan 0.000 0.547 116 R N -0.459 120.020 120.500 -0.036 0.000 2.816 116 R HA 0.269 4.656 4.340 0.078 0.000 0.382 116 R C -1.666 174.600 176.300 -0.056 0.000 1.140 116 R CA -1.125 54.948 56.100 -0.045 0.000 1.050 116 R CB 0.510 30.788 30.300 -0.037 0.000 1.396 116 R HN 0.350 nan 8.270 nan 0.000 0.583 117 P HA -0.152 nan 4.420 nan 0.000 0.217 117 P C 1.412 178.651 177.300 -0.100 0.000 1.150 117 P CA 0.579 63.627 63.100 -0.086 0.000 0.832 117 P CB 0.413 32.046 31.700 -0.112 0.000 0.787 118 L N -0.048 121.099 121.223 -0.127 0.000 2.046 118 L HA -0.094 4.293 4.340 0.078 0.000 0.208 118 L C 2.289 179.102 176.870 -0.095 0.000 1.077 118 L CA 2.256 57.013 54.840 -0.139 0.000 0.747 118 L CB -1.703 40.240 42.059 -0.193 0.000 0.896 118 L HN -0.075 nan 8.230 nan 0.000 0.432 119 T N -0.745 113.760 114.554 -0.082 0.000 2.701 119 T HA -0.161 4.236 4.350 0.078 0.000 0.263 119 T C 1.937 176.620 174.700 -0.028 0.000 1.040 119 T CA 2.086 64.144 62.100 -0.070 0.000 1.147 119 T CB -0.536 68.289 68.868 -0.072 0.000 0.865 119 T HN 0.396 nan 8.240 nan 0.000 0.426 120 V N 0.136 120.041 119.914 -0.014 0.000 2.427 120 V HA -0.045 4.122 4.120 0.078 0.000 0.248 120 V C 2.237 178.341 176.094 0.018 0.000 1.051 120 V CA 1.405 63.721 62.300 0.027 0.000 1.048 120 V CB -1.016 30.813 31.823 0.009 0.000 0.666 120 V HN 0.463 nan 8.190 nan 0.000 0.456 121 I N -0.688 119.869 120.570 -0.022 0.000 2.286 121 I HA -0.136 4.081 4.170 0.078 0.000 0.245 121 I C 2.863 178.972 176.117 -0.013 0.000 1.104 121 I CA 1.654 62.933 61.300 -0.036 0.000 1.397 121 I CB -0.279 37.683 38.000 -0.064 0.000 1.072 121 I HN 0.241 nan 8.210 nan 0.000 0.417 122 M N -0.326 119.269 119.600 -0.008 0.000 2.117 122 M HA -0.238 4.289 4.480 0.078 0.000 0.262 122 M C 2.498 178.831 176.300 0.055 0.000 1.065 122 M CA 1.818 57.126 55.300 0.014 0.000 1.114 122 M CB -1.345 31.199 32.600 -0.092 0.000 1.361 122 M HN 0.292 nan 8.290 nan 0.000 0.408 123 H N 0.516 119.533 119.070 -0.088 0.000 2.319 123 H HA -0.090 4.513 4.556 0.079 0.000 0.299 123 H C 1.773 177.127 175.328 0.043 0.000 1.092 123 H CA 2.409 58.430 56.048 -0.046 0.000 1.302 123 H CB -0.415 29.317 29.762 -0.050 0.000 1.373 123 H HN 0.251 nan 8.280 nan 0.000 0.497 124 T N 0.753 115.279 114.554 -0.048 0.000 2.684 124 T HA -0.125 4.272 4.350 0.078 0.000 0.267 124 T C 2.367 177.024 174.700 -0.071 0.000 1.036 124 T CA 1.675 63.703 62.100 -0.120 0.000 1.148 124 T CB -0.340 68.478 68.868 -0.082 0.000 0.863 124 T HN 0.274 nan 8.240 nan 0.000 0.436 125 I N -0.054 120.490 120.570 -0.043 0.000 2.226 125 I HA -0.124 4.093 4.170 0.078 0.000 0.245 125 I C 1.999 178.165 176.117 0.082 0.000 1.100 125 I CA 1.205 62.432 61.300 -0.122 0.000 1.374 125 I CB -0.298 37.584 38.000 -0.197 0.000 1.057 125 I HN 0.135 nan 8.210 nan 0.000 0.413 126 F N 0.832 120.769 119.950 -0.022 0.000 2.171 126 F HA -0.214 4.357 4.527 0.074 0.000 0.300 126 F C 2.684 178.502 175.800 0.030 0.000 1.090 126 F CA 1.275 59.307 58.000 0.055 0.000 1.293 126 F CB -0.571 38.501 39.000 0.120 0.000 1.013 126 F HN 0.100 nan 8.300 nan 0.000 0.486 127 Q N -0.167 119.710 119.800 0.128 0.000 2.083 127 Q HA -0.203 4.184 4.340 0.078 0.000 0.198 127 Q C 2.192 178.204 176.000 0.019 0.000 0.969 127 Q CA 1.447 57.265 55.803 0.025 0.000 0.838 127 Q CB -0.533 28.136 28.738 -0.116 0.000 0.900 127 Q HN 0.405 nan 8.270 nan 0.000 0.436 128 E N 1.209 121.414 120.200 0.009 0.000 2.077 128 E HA -0.143 4.254 4.350 0.078 0.000 0.193 128 E C 1.421 178.057 176.600 0.059 0.000 0.989 128 E CA 1.219 57.638 56.400 0.031 0.000 0.800 128 E CB 0.062 29.780 29.700 0.030 0.000 0.746 128 E HN 0.152 nan 8.360 nan 0.000 0.452 129 R N 0.053 120.587 120.500 0.056 0.000 2.320 129 R HA 0.038 4.425 4.340 0.078 0.000 0.211 129 R C 0.015 176.330 176.300 0.025 0.000 0.931 129 R CA 0.624 56.757 56.100 0.054 0.000 1.071 129 R CB 0.117 30.444 30.300 0.045 0.000 1.025 129 R HN 0.116 nan 8.270 nan 0.000 0.495 130 D N 0.298 120.716 120.400 0.030 0.000 2.837 130 D HA -0.184 4.503 4.640 0.078 0.000 0.230 130 D C 0.502 176.819 176.300 0.028 0.000 1.152 130 D CA 0.471 54.488 54.000 0.028 0.000 0.736 130 D CB -1.031 39.775 40.800 0.010 0.000 1.084 130 D HN 0.266 nan 8.370 nan 0.000 0.429 131 L N -0.728 120.515 121.223 0.034 0.000 2.217 131 L HA -0.099 4.287 4.340 0.078 0.000 0.211 131 L C 2.409 179.404 176.870 0.207 0.000 1.107 131 L CA 0.553 55.435 54.840 0.069 0.000 0.783 131 L CB -0.199 41.709 42.059 -0.250 0.000 0.919 131 L HN 0.186 nan 8.230 nan 0.000 0.442 132 L N -0.148 121.209 121.223 0.224 0.000 2.056 132 L HA -0.212 4.174 4.340 0.078 0.000 0.207 132 L C 2.616 179.572 176.870 0.143 0.000 1.078 132 L CA 1.615 56.595 54.840 0.233 0.000 0.749 132 L CB -0.608 41.584 42.059 0.221 0.000 0.901 132 L HN 0.159 nan 8.230 nan 0.000 0.433 133 K N -0.643 119.806 120.400 0.082 0.000 2.025 133 K HA -0.147 4.220 4.320 0.078 0.000 0.207 133 K C 2.080 178.664 176.600 -0.027 0.000 1.049 133 K CA 1.742 58.047 56.287 0.030 0.000 0.933 133 K CB -0.108 32.399 32.500 0.012 0.000 0.714 133 K HN 0.218 nan 8.250 nan 0.000 0.438 134 T N 0.368 114.865 114.554 -0.096 0.000 2.720 134 T HA -0.127 4.270 4.350 0.078 0.000 0.268 134 T C 0.947 175.364 174.700 -0.472 0.000 1.037 134 T CA 1.415 63.317 62.100 -0.330 0.000 1.144 134 T CB -0.165 68.416 68.868 -0.478 0.000 0.864 134 T HN 0.169 nan 8.240 nan 0.000 0.444 135 F N 0.814 120.793 119.950 0.048 0.000 2.647 135 F HA 0.404 4.977 4.527 0.077 0.000 0.300 135 F C 0.696 176.538 175.800 0.069 0.000 1.106 135 F CA -0.765 57.274 58.000 0.065 0.000 1.313 135 F CB -0.314 38.743 39.000 0.096 0.000 1.007 135 F HN -0.093 nan 8.300 nan 0.000 0.536 136 K N 1.321 121.813 120.400 0.153 0.000 3.490 136 K HA -0.210 4.157 4.320 0.078 0.000 0.273 136 K C -0.473 176.206 176.600 0.131 0.000 0.916 136 K CA 0.342 56.698 56.287 0.115 0.000 0.718 136 K CB -1.670 30.880 32.500 0.083 0.000 1.477 136 K HN 0.360 nan 8.250 nan 0.000 0.452 137 I N 1.536 122.201 120.570 0.158 0.000 2.312 137 I HA 0.172 4.388 4.170 0.078 0.000 0.291 137 I C -1.876 174.296 176.117 0.093 0.000 1.031 137 I CA -2.497 58.880 61.300 0.127 0.000 1.293 137 I CB 0.737 38.846 38.000 0.183 0.000 1.403 137 I HN -0.074 nan 8.210 nan 0.000 0.484 138 P HA -0.028 nan 4.420 nan 0.000 0.268 138 P C 0.873 178.192 177.300 0.030 0.000 1.204 138 P CA -0.004 63.120 63.100 0.040 0.000 0.768 138 P CB 1.104 32.818 31.700 0.023 0.000 0.842 139 V N 3.504 123.439 119.914 0.036 0.000 2.332 139 V HA -0.257 3.910 4.120 0.078 0.000 0.248 139 V C 1.787 177.851 176.094 -0.050 0.000 1.055 139 V CA 2.679 64.986 62.300 0.013 0.000 1.038 139 V CB -0.906 30.944 31.823 0.044 0.000 0.651 139 V HN 0.692 nan 8.190 nan 0.000 0.450 140 D N -1.528 118.854 120.400 -0.031 0.000 2.144 140 D HA -0.194 4.493 4.640 0.078 0.000 0.199 140 D C 1.932 178.209 176.300 -0.038 0.000 0.984 140 D CA 1.954 55.930 54.000 -0.040 0.000 0.834 140 D CB -0.810 39.978 40.800 -0.019 0.000 0.955 140 D HN 0.488 nan 8.370 nan 0.000 0.465 141 T N 0.968 115.507 114.554 -0.025 0.000 2.777 141 T HA -0.092 4.305 4.350 0.078 0.000 0.266 141 T C 1.914 176.597 174.700 -0.030 0.000 1.040 141 T CA 0.894 62.982 62.100 -0.021 0.000 1.141 141 T CB -0.322 68.531 68.868 -0.025 0.000 0.868 141 T HN 0.071 nan 8.240 nan 0.000 0.444 142 L N 1.247 122.434 121.223 -0.060 0.000 1.994 142 L HA -0.022 4.365 4.340 0.078 0.000 0.208 142 L C 2.048 178.856 176.870 -0.104 0.000 1.071 142 L CA 1.596 56.376 54.840 -0.100 0.000 0.745 142 L CB -0.683 41.298 42.059 -0.129 0.000 0.892 142 L HN 0.130 nan 8.230 nan 0.000 0.431 143 I N -0.568 119.910 120.570 -0.154 0.000 2.226 143 I HA -0.244 3.973 4.170 0.078 0.000 0.245 143 I C 2.386 178.449 176.117 -0.091 0.000 1.100 143 I CA 1.603 62.801 61.300 -0.169 0.000 1.374 143 I CB -1.994 35.880 38.000 -0.210 0.000 1.057 143 I HN 0.299 nan 8.210 nan 0.000 0.413 144 T N 0.366 114.890 114.554 -0.049 0.000 2.708 144 T HA -0.236 4.161 4.350 0.078 0.000 0.266 144 T C 1.886 176.584 174.700 -0.003 0.000 1.037 144 T CA 1.522 63.610 62.100 -0.020 0.000 1.146 144 T CB -0.547 68.321 68.868 0.001 0.000 0.865 144 T HN 0.314 nan 8.240 nan 0.000 0.435 145 Y N 1.792 122.047 120.300 -0.076 0.000 2.145 145 Y HA -0.075 4.521 4.550 0.077 0.000 0.286 145 Y C 2.012 177.881 175.900 -0.053 0.000 1.145 145 Y CA 1.102 59.165 58.100 -0.062 0.000 1.148 145 Y CB -0.580 37.824 38.460 -0.093 0.000 0.981 145 Y HN 0.117 nan 8.280 nan 0.000 0.507 146 L N -0.603 120.543 121.223 -0.129 0.000 2.046 146 L HA -0.286 4.101 4.340 0.078 0.000 0.208 146 L C 2.540 179.295 176.870 -0.191 0.000 1.077 146 L CA 1.769 56.495 54.840 -0.190 0.000 0.747 146 L CB -0.516 41.472 42.059 -0.119 0.000 0.896 146 L HN 0.332 nan 8.230 nan 0.000 0.432 147 M N -1.210 118.307 119.600 -0.137 0.000 2.175 147 M HA -0.151 4.376 4.480 0.078 0.000 0.264 147 M C 2.264 178.515 176.300 -0.082 0.000 1.063 147 M CA 1.698 56.943 55.300 -0.092 0.000 1.119 147 M CB -0.518 32.042 32.600 -0.068 0.000 1.377 147 M HN 0.211 nan 8.290 nan 0.000 0.415 148 T N 1.237 115.722 114.554 -0.115 0.000 2.737 148 T HA -0.133 4.264 4.350 0.078 0.000 0.265 148 T C 1.698 176.390 174.700 -0.015 0.000 1.038 148 T CA 1.206 63.276 62.100 -0.050 0.000 1.144 148 T CB -0.324 68.496 68.868 -0.081 0.000 0.866 148 T HN 0.247 nan 8.240 nan 0.000 0.434 149 L N 1.463 122.511 121.223 -0.293 0.000 1.994 149 L HA -0.044 4.343 4.340 0.078 0.000 0.208 149 L C 2.458 179.358 176.870 0.050 0.000 1.071 149 L CA 2.044 56.733 54.840 -0.253 0.000 0.745 149 L CB -0.684 41.069 42.059 -0.510 0.000 0.892 149 L HN 0.268 nan 8.230 nan 0.000 0.431 150 E N -0.830 119.387 120.200 0.028 0.000 2.118 150 E HA -0.264 4.133 4.350 0.078 0.000 0.195 150 E C 1.658 178.341 176.600 0.137 0.000 0.992 150 E CA 1.504 57.969 56.400 0.109 0.000 0.804 150 E CB -0.089 29.602 29.700 -0.014 0.000 0.741 150 E HN 0.555 nan 8.360 nan 0.000 0.458 151 D N -0.544 119.895 120.400 0.064 0.000 2.218 151 D HA -0.128 4.559 4.640 0.078 0.000 0.204 151 D C 1.050 177.311 176.300 -0.065 0.000 0.976 151 D CA 0.996 54.989 54.000 -0.013 0.000 0.853 151 D CB -0.180 40.572 40.800 -0.081 0.000 0.939 151 D HN 0.402 nan 8.370 nan 0.000 0.481 152 H N -1.766 117.319 119.070 0.026 0.000 2.539 152 H HA 0.118 4.720 4.556 0.077 0.000 0.267 152 H C -0.290 175.051 175.328 0.022 0.000 0.982 152 H CA 0.037 56.090 56.048 0.007 0.000 1.146 152 H CB -0.073 29.644 29.762 -0.075 0.000 1.382 152 H HN 0.115 nan 8.280 nan 0.000 0.577 153 Y N 0.745 121.139 120.300 0.156 0.000 2.308 153 Y HA 0.126 4.727 4.550 0.085 0.000 0.329 153 Y C 0.540 176.584 175.900 0.239 0.000 1.111 153 Y CA -0.498 57.695 58.100 0.155 0.000 1.179 153 Y CB 0.517 39.005 38.460 0.046 0.000 1.201 153 Y HN 0.248 nan 8.280 nan 0.000 0.483 154 H N 2.158 121.339 119.070 0.185 0.000 2.767 154 H HA 0.198 4.801 4.556 0.078 0.000 0.316 154 H C 0.459 175.852 175.328 0.109 0.000 1.059 154 H CA -0.050 56.069 56.048 0.120 0.000 1.461 154 H CB 1.340 31.175 29.762 0.121 0.000 1.475 154 H HN 0.963 nan 8.280 nan 0.000 0.531 155 A N 3.225 126.145 122.820 0.166 0.000 2.067 155 A HA -0.164 4.203 4.320 0.078 0.000 0.219 155 A C 1.536 179.177 177.584 0.095 0.000 1.158 155 A CA 1.325 53.423 52.037 0.101 0.000 0.661 155 A CB -0.091 18.939 19.000 0.049 0.000 0.801 155 A HN 0.815 nan 8.150 nan 0.000 0.452 156 D N -0.921 119.548 120.400 0.115 0.000 2.340 156 D HA 0.146 4.833 4.640 0.078 0.000 0.217 156 D C -0.097 176.277 176.300 0.123 0.000 1.081 156 D CA -0.081 53.977 54.000 0.097 0.000 0.842 156 D CB -0.338 40.507 40.800 0.074 0.000 0.934 156 D HN 0.086 nan 8.370 nan 0.000 0.511 157 V N 1.285 121.295 119.914 0.160 0.000 2.383 157 V HA 0.473 4.640 4.120 0.078 0.000 0.275 157 V C 1.426 177.587 176.094 0.111 0.000 1.036 157 V CA -0.221 62.168 62.300 0.148 0.000 0.889 157 V CB 1.122 33.050 31.823 0.175 0.000 0.985 157 V HN 0.226 nan 8.190 nan 0.000 0.459 158 A N 4.086 126.961 122.820 0.091 0.000 1.930 158 A HA -0.128 4.239 4.320 0.078 0.000 0.217 158 A C 1.750 179.389 177.584 0.092 0.000 1.175 158 A CA 1.633 53.712 52.037 0.071 0.000 0.627 158 A CB -0.271 18.756 19.000 0.046 0.000 0.815 158 A HN 0.903 nan 8.150 nan 0.000 0.443 159 Y N -1.022 119.237 120.300 -0.067 0.000 2.447 159 Y HA 0.203 4.800 4.550 0.078 0.000 0.286 159 Y C 0.809 176.553 175.900 -0.260 0.000 1.153 159 Y CA 0.519 58.517 58.100 -0.170 0.000 1.241 159 Y CB 0.202 38.416 38.460 -0.410 0.000 1.284 159 Y HN 0.358 nan 8.280 nan 0.000 0.520 160 H N 2.063 121.140 119.070 0.012 0.000 3.220 160 H HA 0.170 4.775 4.556 0.081 0.000 0.225 160 H C -0.770 174.594 175.328 0.060 0.000 1.869 160 H CA -0.116 55.872 56.048 -0.101 0.000 1.428 160 H CB -0.905 28.555 29.762 -0.503 0.000 1.792 160 H HN 0.401 nan 8.280 nan 0.000 0.595 161 N N -0.812 117.957 118.700 0.115 0.000 3.091 161 N HA 0.035 4.822 4.740 0.078 0.000 0.329 161 N C 0.977 176.391 175.510 -0.160 0.000 1.430 161 N CA -0.970 52.165 53.050 0.143 0.000 0.755 161 N CB 0.312 38.857 38.487 0.096 0.000 1.626 161 N HN 0.118 nan 8.380 nan 0.000 0.614 162 N N 0.154 118.710 118.700 -0.240 0.000 2.289 162 N HA -0.133 4.654 4.740 0.078 0.000 0.184 162 N C 1.155 176.455 175.510 -0.350 0.000 1.016 162 N CA 1.237 53.982 53.050 -0.508 0.000 0.872 162 N CB -0.514 37.832 38.487 -0.235 0.000 0.973 162 N HN 0.685 nan 8.380 nan 0.000 0.433 163 I N 0.329 120.795 120.570 -0.173 0.000 2.252 163 I HA -0.217 4.000 4.170 0.078 0.000 0.245 163 I C 2.622 178.692 176.117 -0.077 0.000 1.102 163 I CA 1.380 62.611 61.300 -0.115 0.000 1.385 163 I CB -0.573 37.392 38.000 -0.058 0.000 1.064 163 I HN 0.174 nan 8.210 nan 0.000 0.414 164 H N 1.637 120.587 119.070 -0.199 0.000 2.353 164 H HA -0.117 4.485 4.556 0.076 0.000 0.300 164 H C 2.159 177.290 175.328 -0.328 0.000 1.090 164 H CA 1.732 57.531 56.048 -0.416 0.000 1.327 164 H CB -0.059 29.343 29.762 -0.600 0.000 1.383 164 H HN 0.268 nan 8.280 nan 0.000 0.508 165 A N 1.036 123.541 122.820 -0.524 0.000 1.883 165 A HA -0.105 4.262 4.320 0.078 0.000 0.217 165 A C 2.674 180.039 177.584 -0.364 0.000 1.186 165 A CA 2.034 53.753 52.037 -0.530 0.000 0.624 165 A CB -1.490 16.978 19.000 -0.887 0.000 0.822 165 A HN 0.647 nan 8.150 nan 0.000 0.444 166 A N -0.207 122.416 122.820 -0.329 0.000 1.933 166 A HA -0.202 4.165 4.320 0.078 0.000 0.218 166 A C 1.847 179.306 177.584 -0.210 0.000 1.175 166 A CA 2.247 54.150 52.037 -0.224 0.000 0.628 166 A CB -0.685 18.198 19.000 -0.194 0.000 0.814 166 A HN 0.575 nan 8.150 nan 0.000 0.444 167 D N -0.549 119.695 120.400 -0.260 0.000 2.117 167 D HA -0.109 4.578 4.640 0.078 0.000 0.198 167 D C 1.767 177.882 176.300 -0.308 0.000 0.982 167 D CA 1.554 55.390 54.000 -0.274 0.000 0.828 167 D CB -0.100 40.515 40.800 -0.309 0.000 0.967 167 D HN 0.144 nan 8.370 nan 0.000 0.464 168 V N -0.151 119.540 119.914 -0.372 0.000 2.427 168 V HA -0.173 3.994 4.120 0.078 0.000 0.248 168 V C 2.642 178.637 176.094 -0.165 0.000 1.051 168 V CA 1.099 63.218 62.300 -0.300 0.000 1.048 168 V CB -0.299 31.308 31.823 -0.360 0.000 0.666 168 V HN 0.143 nan 8.190 nan 0.000 0.456 169 V N -0.125 119.713 119.914 -0.126 0.000 2.287 169 V HA -0.313 3.854 4.120 0.078 0.000 0.248 169 V C 2.537 178.638 176.094 0.012 0.000 1.053 169 V CA 2.406 64.684 62.300 -0.036 0.000 1.027 169 V CB -0.614 31.192 31.823 -0.029 0.000 0.646 169 V HN 0.568 nan 8.190 nan 0.000 0.447 170 Q N -0.408 119.374 119.800 -0.030 0.000 2.167 170 Q HA -0.149 4.238 4.340 0.078 0.000 0.202 170 Q C 2.378 178.421 176.000 0.072 0.000 0.970 170 Q CA 1.913 57.736 55.803 0.032 0.000 0.855 170 Q CB -0.065 28.651 28.738 -0.038 0.000 0.911 170 Q HN 0.654 nan 8.270 nan 0.000 0.438 171 S N -0.010 115.661 115.700 -0.048 0.000 2.368 171 S HA -0.094 4.423 4.470 0.078 0.000 0.224 171 S C 1.960 176.678 174.600 0.197 0.000 1.029 171 S CA 1.573 59.766 58.200 -0.011 0.000 0.988 171 S CB -0.333 62.748 63.200 -0.200 0.000 0.838 171 S HN 0.453 nan 8.310 nan 0.000 0.462 172 T N 0.757 115.364 114.554 0.088 0.000 2.746 172 T HA -0.168 4.229 4.350 0.078 0.000 0.267 172 T C 1.722 176.501 174.700 0.133 0.000 1.039 172 T CA 1.849 63.993 62.100 0.074 0.000 1.142 172 T CB -0.481 68.395 68.868 0.015 0.000 0.866 172 T HN 0.612 nan 8.240 nan 0.000 0.444 173 H N 0.945 120.061 119.070 0.076 0.000 2.319 173 H HA -0.049 4.548 4.556 0.068 0.000 0.299 173 H C 1.983 177.388 175.328 0.128 0.000 1.092 173 H CA 1.658 57.759 56.048 0.089 0.000 1.302 173 H CB -0.623 29.185 29.762 0.077 0.000 1.373 173 H HN 0.152 nan 8.280 nan 0.000 0.497 174 V N 0.686 120.620 119.914 0.033 0.000 2.358 174 V HA -0.219 3.948 4.120 0.078 0.000 0.246 174 V C 2.739 178.888 176.094 0.092 0.000 1.047 174 V CA 1.764 64.094 62.300 0.050 0.000 1.035 174 V CB -0.610 31.423 31.823 0.350 0.000 0.658 174 V HN 0.417 nan 8.190 nan 0.000 0.452 175 L N -0.768 120.561 121.223 0.177 0.000 2.131 175 L HA -0.158 4.229 4.340 0.078 0.000 0.210 175 L C 2.332 179.313 176.870 0.185 0.000 1.092 175 L CA 1.296 56.244 54.840 0.180 0.000 0.759 175 L CB -0.478 41.652 42.059 0.119 0.000 0.903 175 L HN 0.310 nan 8.230 nan 0.000 0.435 176 L N -1.133 120.158 121.223 0.114 0.000 2.275 176 L HA -0.124 4.263 4.340 0.078 0.000 0.215 176 L C 2.166 179.098 176.870 0.104 0.000 1.119 176 L CA 0.679 55.596 54.840 0.129 0.000 0.790 176 L CB -0.191 41.920 42.059 0.087 0.000 0.919 176 L HN 0.120 nan 8.230 nan 0.000 0.443 177 S N -1.549 114.165 115.700 0.023 0.000 2.631 177 S HA -0.012 4.505 4.470 0.078 0.000 0.217 177 S C 0.890 175.508 174.600 0.030 0.000 0.958 177 S CA 0.008 58.208 58.200 0.001 0.000 0.920 177 S CB -0.184 62.965 63.200 -0.085 0.000 0.776 177 S HN 0.316 nan 8.310 nan 0.000 0.517 178 T N 3.294 117.890 114.554 0.071 0.000 2.902 178 T HA 0.095 4.492 4.350 0.078 0.000 0.301 178 T C -1.713 173.003 174.700 0.027 0.000 1.012 178 T CA -1.445 60.690 62.100 0.057 0.000 1.151 178 T CB 0.721 69.655 68.868 0.110 0.000 0.946 178 T HN 0.023 nan 8.240 nan 0.000 0.542 179 P HA -0.093 nan 4.420 nan 0.000 0.217 179 P C 1.130 178.415 177.300 -0.025 0.000 1.151 179 P CA 1.183 64.276 63.100 -0.012 0.000 0.849 179 P CB 0.014 31.703 31.700 -0.020 0.000 0.787 180 A N -1.294 121.503 122.820 -0.040 0.000 2.121 180 A HA -0.053 4.314 4.320 0.078 0.000 0.218 180 A C 1.782 179.321 177.584 -0.074 0.000 1.154 180 A CA 1.037 53.032 52.037 -0.069 0.000 0.679 180 A CB -1.175 17.760 19.000 -0.108 0.000 0.795 180 A HN 0.188 nan 8.150 nan 0.000 0.458 181 L N -0.476 120.730 121.223 -0.030 0.000 2.769 181 L HA 0.186 4.573 4.340 0.078 0.000 0.240 181 L C 0.503 177.366 176.870 -0.012 0.000 1.163 181 L CA -0.287 54.543 54.840 -0.017 0.000 0.962 181 L CB 0.010 42.150 42.059 0.134 0.000 1.258 181 L HN 0.380 nan 8.230 nan 0.000 0.513 182 E N 1.611 121.800 120.200 -0.018 0.000 2.415 182 E HA 0.161 4.558 4.350 0.078 0.000 0.260 182 E C 1.132 177.713 176.600 -0.031 0.000 1.016 182 E CA 0.780 57.175 56.400 -0.008 0.000 0.924 182 E CB 0.469 30.162 29.700 -0.011 0.000 0.961 182 E HN 0.313 nan 8.360 nan 0.000 0.459 183 A N 2.925 125.739 122.820 -0.010 0.000 2.899 183 A HA -0.228 4.139 4.320 0.078 0.000 0.257 183 A C 1.094 178.632 177.584 -0.076 0.000 1.335 183 A CA 0.998 53.022 52.037 -0.021 0.000 0.924 183 A CB -2.150 16.836 19.000 -0.024 0.000 1.105 183 A HN 0.486 nan 8.150 nan 0.000 0.765 184 V N -1.739 118.082 119.914 -0.155 0.000 2.346 184 V HA 0.085 4.252 4.120 0.078 0.000 0.244 184 V C 1.202 177.026 176.094 -0.450 0.000 1.037 184 V CA 1.890 63.959 62.300 -0.383 0.000 1.029 184 V CB -0.379 31.066 31.823 -0.629 0.000 0.663 184 V HN 0.536 nan 8.190 nan 0.000 0.454 185 F N 0.788 120.755 119.950 0.029 0.000 2.399 185 F HA 0.471 5.045 4.527 0.077 0.000 0.334 185 F C 0.995 176.825 175.800 0.049 0.000 1.097 185 F CA -1.002 57.023 58.000 0.042 0.000 1.076 185 F CB 0.771 39.802 39.000 0.052 0.000 1.162 185 F HN -0.012 nan 8.300 nan 0.000 0.495 186 T N -2.051 112.655 114.554 0.254 0.000 2.788 186 T HA 0.099 4.496 4.350 0.078 0.000 0.287 186 T C 0.817 175.635 174.700 0.197 0.000 1.007 186 T CA -0.701 61.505 62.100 0.176 0.000 1.005 186 T CB 0.738 69.700 68.868 0.156 0.000 1.012 186 T HN 0.508 nan 8.240 nan 0.000 0.530 187 D N -0.126 120.383 120.400 0.182 0.000 2.178 187 D HA -0.073 4.614 4.640 0.078 0.000 0.201 187 D C 1.876 178.406 176.300 0.383 0.000 0.980 187 D CA 0.687 54.834 54.000 0.246 0.000 0.842 187 D CB -0.220 40.671 40.800 0.151 0.000 0.948 187 D HN 0.400 nan 8.370 nan 0.000 0.472 188 L N 1.245 122.693 121.223 0.376 0.000 2.056 188 L HA -0.122 4.265 4.340 0.078 0.000 0.207 188 L C 1.970 178.877 176.870 0.062 0.000 1.078 188 L CA 1.677 56.633 54.840 0.193 0.000 0.749 188 L CB -0.273 41.883 42.059 0.162 0.000 0.901 188 L HN -0.086 nan 8.230 nan 0.000 0.433 189 E N -0.563 119.708 120.200 0.117 0.000 2.106 189 E HA -0.198 4.199 4.350 0.078 0.000 0.192 189 E C 2.257 178.861 176.600 0.007 0.000 0.984 189 E CA 1.475 57.918 56.400 0.072 0.000 0.806 189 E CB -0.160 29.639 29.700 0.164 0.000 0.750 189 E HN 0.525 nan 8.360 nan 0.000 0.458 190 I N 0.716 121.325 120.570 0.065 0.000 2.179 190 I HA -0.265 3.952 4.170 0.078 0.000 0.242 190 I C 2.392 178.524 176.117 0.025 0.000 1.088 190 I CA 0.601 61.928 61.300 0.046 0.000 1.357 190 I CB -0.123 37.938 38.000 0.102 0.000 1.051 190 I HN 0.151 nan 8.210 nan 0.000 0.409 191 L N 1.024 122.252 121.223 0.008 0.000 2.046 191 L HA -0.162 4.225 4.340 0.078 0.000 0.208 191 L C 2.529 179.426 176.870 0.044 0.000 1.077 191 L CA 2.153 56.962 54.840 -0.051 0.000 0.747 191 L CB -0.765 41.135 42.059 -0.265 0.000 0.896 191 L HN 0.195 nan 8.230 nan 0.000 0.432 192 A N -0.526 122.295 122.820 0.001 0.000 1.877 192 A HA -0.091 4.276 4.320 0.078 0.000 0.216 192 A C 2.448 180.099 177.584 0.112 0.000 1.186 192 A CA 1.834 53.906 52.037 0.058 0.000 0.620 192 A CB -1.204 17.804 19.000 0.014 0.000 0.822 192 A HN 0.568 nan 8.150 nan 0.000 0.443 193 A N -0.259 122.581 122.820 0.034 0.000 1.902 193 A HA -0.047 4.320 4.320 0.078 0.000 0.217 193 A C 2.124 179.745 177.584 0.062 0.000 1.181 193 A CA 1.516 53.556 52.037 0.004 0.000 0.623 193 A CB -0.559 18.387 19.000 -0.091 0.000 0.818 193 A HN 0.498 nan 8.150 nan 0.000 0.443 194 I N -2.111 118.528 120.570 0.116 0.000 2.286 194 I HA -0.172 4.045 4.170 0.078 0.000 0.245 194 I C 2.322 178.590 176.117 0.251 0.000 1.104 194 I CA 1.320 62.725 61.300 0.176 0.000 1.397 194 I CB -0.296 37.827 38.000 0.205 0.000 1.072 194 I HN 0.433 nan 8.210 nan 0.000 0.417 195 F N 1.872 121.928 119.950 0.176 0.000 2.134 195 F HA -0.201 4.373 4.527 0.079 0.000 0.299 195 F C 2.472 178.338 175.800 0.111 0.000 1.097 195 F CA 1.367 59.485 58.000 0.198 0.000 1.264 195 F CB -0.334 38.826 39.000 0.266 0.000 1.001 195 F HN -0.005 nan 8.300 nan 0.000 0.479 196 A N -0.477 122.410 122.820 0.112 0.000 1.908 196 A HA -0.188 4.179 4.320 0.078 0.000 0.218 196 A C 2.366 179.941 177.584 -0.014 0.000 1.181 196 A CA 2.118 54.155 52.037 0.001 0.000 0.627 196 A CB -1.303 17.737 19.000 0.067 0.000 0.818 196 A HN 0.439 nan 8.150 nan 0.000 0.445 197 S N -0.165 115.542 115.700 0.011 0.000 2.368 197 S HA -0.061 4.456 4.470 0.078 0.000 0.225 197 S C 2.296 176.955 174.600 0.098 0.000 1.030 197 S CA 1.214 59.429 58.200 0.025 0.000 0.999 197 S CB -0.482 62.707 63.200 -0.018 0.000 0.844 197 S HN 0.815 nan 8.310 nan 0.000 0.459 198 A N 1.729 124.542 122.820 -0.011 0.000 1.933 198 A HA -0.034 4.333 4.320 0.078 0.000 0.218 198 A C 2.068 179.622 177.584 -0.050 0.000 1.175 198 A CA 1.508 53.513 52.037 -0.054 0.000 0.628 198 A CB -0.693 18.273 19.000 -0.057 0.000 0.814 198 A HN 0.695 nan 8.150 nan 0.000 0.444 199 I N -3.148 117.309 120.570 -0.188 0.000 3.883 199 I HA 0.058 4.275 4.170 0.078 0.000 0.326 199 I C 1.910 177.952 176.117 -0.126 0.000 1.283 199 I CA 0.716 61.896 61.300 -0.200 0.000 1.161 199 I CB -0.543 37.176 38.000 -0.468 0.000 1.012 199 I HN 0.503 nan 8.210 nan 0.000 0.421 200 H N 0.610 119.629 119.070 -0.084 0.000 2.489 200 H HA -0.108 4.493 4.556 0.076 0.000 0.295 200 H C 0.094 175.296 175.328 -0.210 0.000 1.082 200 H CA 1.428 57.439 56.048 -0.063 0.000 1.295 200 H CB -0.115 29.637 29.762 -0.015 0.000 1.380 200 H HN 0.405 nan 8.280 nan 0.000 0.548 201 D N 1.069 120.978 120.400 -0.819 0.000 2.563 201 D HA 0.122 4.809 4.640 0.078 0.000 0.237 201 D C -0.111 175.669 176.300 -0.866 0.000 1.282 201 D CA -0.280 53.081 54.000 -1.065 0.000 0.816 201 D CB 0.876 41.476 40.800 -0.333 0.000 1.066 201 D HN 0.109 nan 8.370 nan 0.000 0.501 202 V N 1.432 120.844 119.914 -0.837 0.000 2.694 202 V HA -0.021 4.146 4.120 0.078 0.000 0.306 202 V C 0.695 176.553 176.094 -0.395 0.000 1.054 202 V CA 0.808 62.441 62.300 -1.111 0.000 1.161 202 V CB 0.785 32.153 31.823 -0.759 0.000 0.916 202 V HN 0.366 nan 8.190 nan 0.000 0.490 203 D N 2.993 123.177 120.400 -0.360 0.000 2.870 203 D HA -0.217 4.470 4.640 0.078 0.000 0.228 203 D C 0.102 176.371 176.300 -0.052 0.000 1.147 203 D CA 1.185 55.183 54.000 -0.003 0.000 0.757 203 D CB -1.499 39.408 40.800 0.178 0.000 1.091 203 D HN 0.862 nan 8.370 nan 0.000 0.429 204 H N 0.037 118.971 119.070 -0.226 0.000 2.929 204 H HA 0.154 4.758 4.556 0.080 0.000 0.317 204 H C -1.493 173.612 175.328 -0.370 0.000 1.031 204 H CA -0.494 55.496 56.048 -0.095 0.000 1.466 204 H CB 1.272 31.015 29.762 -0.032 0.000 1.482 204 H HN 0.135 nan 8.280 nan 0.000 0.561 205 P HA 0.080 nan 4.420 nan 0.000 0.249 205 P C 0.644 178.056 177.300 0.187 0.000 1.229 205 P CA 1.074 64.221 63.100 0.078 0.000 0.788 205 P CB 0.499 32.243 31.700 0.073 0.000 1.072 206 G N -0.142 108.892 108.800 0.389 0.000 2.136 206 G HA2 -0.166 3.841 3.960 0.078 0.000 0.242 206 G HA3 -0.166 3.841 3.960 0.078 0.000 0.242 206 G C 0.044 175.019 174.900 0.126 0.000 0.989 206 G CA 0.134 45.365 45.100 0.219 0.000 0.682 206 G HN 0.567 nan 8.290 nan 0.000 0.522 207 V N -2.115 117.868 119.914 0.114 0.000 3.040 207 V HA 0.962 5.129 4.120 0.078 0.000 0.312 207 V C 0.513 176.639 176.094 0.054 0.000 1.115 207 V CA -0.122 62.124 62.300 -0.090 0.000 0.998 207 V CB 1.618 33.164 31.823 -0.463 0.000 1.042 207 V HN 1.395 nan 8.190 nan 0.000 0.433 208 S N 1.545 117.257 115.700 0.020 0.000 2.645 208 S HA 0.316 4.833 4.470 0.078 0.000 0.266 208 S C 0.769 175.415 174.600 0.077 0.000 1.258 208 S CA -0.203 58.028 58.200 0.051 0.000 0.990 208 S CB 0.710 63.903 63.200 -0.012 0.000 0.967 208 S HN 0.805 nan 8.310 nan 0.000 0.556 209 N N 0.864 119.586 118.700 0.037 0.000 2.061 209 N HA -0.165 4.622 4.740 0.078 0.000 0.193 209 N C 1.730 177.269 175.510 0.047 0.000 1.030 209 N CA 1.688 54.753 53.050 0.025 0.000 0.856 209 N CB -0.789 37.705 38.487 0.010 0.000 1.023 209 N HN 0.777 nan 8.380 nan 0.000 0.424 210 Q N 0.045 119.874 119.800 0.049 0.000 2.124 210 Q HA -0.044 4.343 4.340 0.078 0.000 0.202 210 Q C 1.852 177.889 176.000 0.062 0.000 0.977 210 Q CA 1.107 56.934 55.803 0.039 0.000 0.850 210 Q CB -0.521 28.232 28.738 0.024 0.000 0.901 210 Q HN 0.405 nan 8.270 nan 0.000 0.429 211 F N -0.189 119.738 119.950 -0.039 0.000 2.134 211 F HA -0.151 4.424 4.527 0.080 0.000 0.299 211 F C 1.503 177.289 175.800 -0.023 0.000 1.097 211 F CA 1.323 59.305 58.000 -0.030 0.000 1.264 211 F CB -0.141 38.842 39.000 -0.029 0.000 1.001 211 F HN 0.094 nan 8.300 nan 0.000 0.479 212 L N -0.131 121.201 121.223 0.182 0.000 2.083 212 L HA -0.233 4.154 4.340 0.078 0.000 0.209 212 L C 2.417 179.262 176.870 -0.042 0.000 1.083 212 L CA 1.316 56.198 54.840 0.070 0.000 0.752 212 L CB -0.645 41.459 42.059 0.076 0.000 0.899 212 L HN 0.214 nan 8.230 nan 0.000 0.433 213 I N -0.205 120.345 120.570 -0.034 0.000 2.202 213 I HA -0.245 3.972 4.170 0.078 0.000 0.242 213 I C 2.040 178.102 176.117 -0.092 0.000 1.091 213 I CA 1.029 62.302 61.300 -0.046 0.000 1.368 213 I CB -0.359 37.629 38.000 -0.022 0.000 1.058 213 I HN 0.297 nan 8.210 nan 0.000 0.410 214 N N 0.322 118.942 118.700 -0.134 0.000 2.381 214 N HA -0.115 4.672 4.740 0.078 0.000 0.182 214 N C 1.559 176.925 175.510 -0.239 0.000 1.025 214 N CA 1.722 54.669 53.050 -0.172 0.000 0.888 214 N CB -0.457 37.924 38.487 -0.178 0.000 0.965 214 N HN 0.455 nan 8.380 nan 0.000 0.438 215 T N -2.454 111.901 114.554 -0.331 0.000 3.145 215 T HA 0.147 4.544 4.350 0.078 0.000 0.255 215 T C 0.129 174.727 174.700 -0.169 0.000 1.039 215 T CA -0.521 61.387 62.100 -0.321 0.000 0.928 215 T CB -0.148 68.399 68.868 -0.536 0.000 1.029 215 T HN -0.025 nan 8.240 nan 0.000 0.554 216 N N 2.332 120.957 118.700 -0.125 0.000 2.714 216 N HA -0.158 4.629 4.740 0.078 0.000 0.252 216 N C 0.087 175.560 175.510 -0.062 0.000 1.014 216 N CA 1.109 54.112 53.050 -0.077 0.000 0.735 216 N CB -1.807 36.641 38.487 -0.065 0.000 0.924 216 N HN 0.918 nan 8.380 nan 0.000 0.540 217 S N -1.138 114.526 115.700 -0.059 0.000 2.593 217 S HA 0.219 4.736 4.470 0.078 0.000 0.269 217 S C 1.325 175.905 174.600 -0.033 0.000 1.334 217 S CA -0.558 57.621 58.200 -0.034 0.000 1.015 217 S CB 1.797 64.991 63.200 -0.011 0.000 0.912 217 S HN 0.118 nan 8.310 nan 0.000 0.541 218 E N 0.763 120.943 120.200 -0.033 0.000 2.110 218 E HA -0.064 4.333 4.350 0.078 0.000 0.193 218 E C 1.856 178.418 176.600 -0.064 0.000 0.988 218 E CA 0.862 57.234 56.400 -0.048 0.000 0.804 218 E CB -0.424 29.250 29.700 -0.043 0.000 0.745 218 E HN 0.695 nan 8.360 nan 0.000 0.458 219 L N 0.298 121.489 121.223 -0.054 0.000 2.046 219 L HA -0.165 4.222 4.340 0.078 0.000 0.208 219 L C 2.466 179.363 176.870 0.046 0.000 1.077 219 L CA 1.226 56.051 54.840 -0.025 0.000 0.747 219 L CB -0.377 41.645 42.059 -0.062 0.000 0.896 219 L HN 0.065 nan 8.230 nan 0.000 0.432 220 A N -0.432 122.399 122.820 0.018 0.000 1.968 220 A HA -0.116 4.251 4.320 0.078 0.000 0.217 220 A C 2.197 179.785 177.584 0.007 0.000 1.169 220 A CA 1.096 53.152 52.037 0.031 0.000 0.638 220 A CB -0.511 18.491 19.000 0.004 0.000 0.812 220 A HN 0.339 nan 8.150 nan 0.000 0.446 221 L N -1.673 119.532 121.223 -0.030 0.000 2.056 221 L HA -0.171 4.216 4.340 0.078 0.000 0.207 221 L C 2.702 179.519 176.870 -0.089 0.000 1.078 221 L CA 1.683 56.493 54.840 -0.049 0.000 0.749 221 L CB -0.344 41.683 42.059 -0.054 0.000 0.901 221 L HN 0.486 nan 8.230 nan 0.000 0.433 222 M N -1.135 118.369 119.600 -0.160 0.000 2.117 222 M HA -0.216 4.311 4.480 0.078 0.000 0.262 222 M C 1.299 177.355 176.300 -0.407 0.000 1.065 222 M CA 1.953 57.042 55.300 -0.352 0.000 1.114 222 M CB -0.201 32.055 32.600 -0.573 0.000 1.361 222 M HN 0.112 nan 8.290 nan 0.000 0.408 223 Y N 0.442 120.732 120.300 -0.017 0.000 2.524 223 Y HA 0.335 4.933 4.550 0.079 0.000 0.266 223 Y C 0.346 176.241 175.900 -0.010 0.000 1.180 223 Y CA -0.656 57.437 58.100 -0.010 0.000 1.244 223 Y CB -0.467 37.984 38.460 -0.014 0.000 1.125 223 Y HN 0.310 nan 8.280 nan 0.000 0.524 224 N N 1.419 120.168 118.700 0.081 0.000 2.727 224 N HA -0.243 4.544 4.740 0.078 0.000 0.249 224 N C -0.617 174.926 175.510 0.055 0.000 1.048 224 N CA 1.369 54.449 53.050 0.050 0.000 0.714 224 N CB -1.068 37.444 38.487 0.043 0.000 0.959 224 N HN 0.479 nan 8.380 nan 0.000 0.544 225 D N -2.239 118.196 120.400 0.058 0.000 3.059 225 D HA -0.175 4.512 4.640 0.078 0.000 0.213 225 D C -0.000 176.323 176.300 0.038 0.000 1.144 225 D CA 1.725 55.749 54.000 0.040 0.000 0.975 225 D CB -1.285 39.527 40.800 0.020 0.000 1.125 225 D HN 0.551 nan 8.370 nan 0.000 0.412 226 S N -0.446 115.287 115.700 0.054 0.000 2.474 226 S HA 0.419 4.936 4.470 0.078 0.000 0.321 226 S C 0.246 174.848 174.600 0.004 0.000 1.080 226 S CA 0.242 58.462 58.200 0.033 0.000 1.106 226 S CB 0.960 64.184 63.200 0.040 0.000 0.984 226 S HN 0.195 nan 8.310 nan 0.000 0.464 227 S N 2.924 118.615 115.700 -0.015 0.000 3.477 227 S HA -0.137 4.380 4.470 0.078 0.000 0.371 227 S C 1.301 175.818 174.600 -0.138 0.000 0.965 227 S CA 0.553 58.721 58.200 -0.053 0.000 1.239 227 S CB -1.946 61.227 63.200 -0.045 0.000 0.918 227 S HN 0.687 nan 8.310 nan 0.000 0.498 228 V N 0.636 120.490 119.914 -0.099 0.000 2.233 228 V HA -0.258 3.909 4.120 0.078 0.000 0.247 228 V C 2.272 178.202 176.094 -0.273 0.000 1.050 228 V CA 2.502 64.731 62.300 -0.118 0.000 1.010 228 V CB -0.496 31.323 31.823 -0.006 0.000 0.637 228 V HN 0.688 nan 8.190 nan 0.000 0.444 229 L N -0.511 120.553 121.223 -0.265 0.000 2.046 229 L HA -0.194 4.193 4.340 0.078 0.000 0.208 229 L C 2.624 179.072 176.870 -0.705 0.000 1.077 229 L CA 1.563 56.108 54.840 -0.492 0.000 0.747 229 L CB -0.572 41.242 42.059 -0.408 0.000 0.896 229 L HN 0.327 nan 8.230 nan 0.000 0.432 230 E N -0.152 119.860 120.200 -0.313 0.000 2.106 230 E HA -0.162 4.235 4.350 0.078 0.000 0.192 230 E C 1.986 178.473 176.600 -0.188 0.000 0.984 230 E CA 0.809 57.147 56.400 -0.103 0.000 0.806 230 E CB -0.226 29.490 29.700 0.027 0.000 0.750 230 E HN 0.344 nan 8.360 nan 0.000 0.458 231 N N -0.049 118.432 118.700 -0.366 0.000 2.166 231 N HA -0.178 4.609 4.740 0.078 0.000 0.186 231 N C 1.780 177.035 175.510 -0.425 0.000 1.019 231 N CA 1.204 53.958 53.050 -0.492 0.000 0.856 231 N CB -0.223 37.633 38.487 -1.052 0.000 0.993 231 N HN 0.269 nan 8.380 nan 0.000 0.426 232 H N 0.811 119.530 119.070 -0.586 0.000 2.357 232 H HA -0.041 4.561 4.556 0.078 0.000 0.301 232 H C 1.828 177.073 175.328 -0.138 0.000 1.082 232 H CA 1.715 57.614 56.048 -0.249 0.000 1.342 232 H CB -0.124 29.503 29.762 -0.225 0.000 1.389 232 H HN 0.274 nan 8.280 nan 0.000 0.511 233 H N 0.048 119.009 119.070 -0.182 0.000 2.319 233 H HA -0.119 4.485 4.556 0.081 0.000 0.299 233 H C 2.627 177.843 175.328 -0.187 0.000 1.092 233 H CA 1.523 57.433 56.048 -0.229 0.000 1.302 233 H CB -0.610 29.073 29.762 -0.131 0.000 1.373 233 H HN 0.350 nan 8.280 nan 0.000 0.497 234 L N 0.137 121.380 121.223 0.032 0.000 2.017 234 L HA -0.159 4.228 4.340 0.078 0.000 0.208 234 L C 2.882 179.861 176.870 0.181 0.000 1.073 234 L CA 1.103 56.001 54.840 0.096 0.000 0.745 234 L CB -0.528 41.653 42.059 0.203 0.000 0.894 234 L HN 0.231 nan 8.230 nan 0.000 0.432 235 A N -0.562 122.332 122.820 0.122 0.000 1.908 235 A HA -0.160 4.207 4.320 0.078 0.000 0.218 235 A C 2.316 179.947 177.584 0.077 0.000 1.181 235 A CA 1.931 54.064 52.037 0.161 0.000 0.627 235 A CB -0.830 18.281 19.000 0.185 0.000 0.818 235 A HN 0.209 nan 8.150 nan 0.000 0.445 236 V N -0.188 119.664 119.914 -0.103 0.000 2.307 236 V HA -0.142 4.025 4.120 0.078 0.000 0.245 236 V C 2.853 178.891 176.094 -0.094 0.000 1.045 236 V CA 1.896 64.099 62.300 -0.161 0.000 1.024 236 V CB -1.502 30.126 31.823 -0.325 0.000 0.651 236 V HN 0.603 nan 8.190 nan 0.000 0.449 237 G N -0.672 108.066 108.800 -0.104 0.000 2.440 237 G HA2 -0.260 3.747 3.960 0.078 0.000 0.218 237 G HA3 -0.260 3.747 3.960 0.078 0.000 0.218 237 G C 1.458 176.416 174.900 0.098 0.000 1.154 237 G CA 0.978 46.023 45.100 -0.092 0.000 0.767 237 G HN 0.449 nan 8.290 nan 0.000 0.552 238 F N 0.781 120.857 119.950 0.211 0.000 2.234 238 F HA 0.203 4.778 4.527 0.080 0.000 0.296 238 F C 2.666 178.562 175.800 0.160 0.000 1.089 238 F CA 1.023 59.163 58.000 0.233 0.000 1.343 238 F CB -0.129 38.973 39.000 0.170 0.000 1.040 238 F HN 0.025 nan 8.300 nan 0.000 0.498 239 K N 0.214 120.778 120.400 0.272 0.000 2.147 239 K HA -0.120 4.247 4.320 0.078 0.000 0.205 239 K C 1.951 178.631 176.600 0.133 0.000 1.049 239 K CA 1.039 57.423 56.287 0.161 0.000 0.936 239 K CB -0.385 32.170 32.500 0.092 0.000 0.722 239 K HN 0.277 nan 8.250 nan 0.000 0.446 240 L N 0.848 122.149 121.223 0.130 0.000 2.275 240 L HA -0.141 4.246 4.340 0.078 0.000 0.215 240 L C 1.935 178.981 176.870 0.292 0.000 1.119 240 L CA 0.627 55.544 54.840 0.128 0.000 0.790 240 L CB -0.317 41.736 42.059 -0.010 0.000 0.919 240 L HN 0.183 nan 8.230 nan 0.000 0.443 241 L N -0.683 120.730 121.223 0.317 0.000 2.353 241 L HA -0.199 4.188 4.340 0.078 0.000 0.220 241 L C 2.203 179.141 176.870 0.114 0.000 1.133 241 L CA 1.001 55.936 54.840 0.158 0.000 0.798 241 L CB -0.366 41.745 42.059 0.086 0.000 0.922 241 L HN 0.379 nan 8.230 nan 0.000 0.445 242 Q N -0.709 119.164 119.800 0.122 0.000 2.403 242 Q HA 0.037 4.424 4.340 0.078 0.000 0.203 242 Q C 0.198 176.242 176.000 0.074 0.000 0.932 242 Q CA -0.033 55.821 55.803 0.085 0.000 0.945 242 Q CB 0.320 29.106 28.738 0.080 0.000 1.045 242 Q HN 0.393 nan 8.270 nan 0.000 0.511 243 E N 1.713 121.966 120.200 0.087 0.000 2.392 243 E HA -0.003 4.394 4.350 0.078 0.000 0.256 243 E C -0.295 176.341 176.600 0.061 0.000 1.145 243 E CA -0.018 56.425 56.400 0.071 0.000 0.929 243 E CB 0.453 30.197 29.700 0.074 0.000 0.998 243 E HN 0.162 nan 8.360 nan 0.000 0.442 244 E N 1.513 121.741 120.200 0.047 0.000 2.558 244 E HA -0.174 4.223 4.350 0.078 0.000 0.255 244 E C -0.050 176.571 176.600 0.036 0.000 0.968 244 E CA 0.179 56.601 56.400 0.036 0.000 0.939 244 E CB 0.048 29.765 29.700 0.028 0.000 0.921 244 E HN 0.412 nan 8.360 nan 0.000 0.477 245 N N 2.967 121.684 118.700 0.029 0.000 2.727 245 N HA -0.225 4.562 4.740 0.078 0.000 0.249 245 N C -0.762 174.767 175.510 0.033 0.000 1.048 245 N CA 0.899 53.962 53.050 0.022 0.000 0.714 245 N CB -1.402 37.094 38.487 0.015 0.000 0.959 245 N HN 0.462 nan 8.380 nan 0.000 0.544 246 C N -1.233 118.096 119.300 0.048 0.000 3.392 246 C HA 0.250 4.756 4.460 0.078 0.000 0.301 246 C C 0.582 175.562 174.990 -0.017 0.000 1.354 246 C CA -0.513 58.564 59.018 0.098 0.000 1.732 246 C CB -0.402 27.459 27.740 0.202 0.000 2.269 246 C HN 0.547 nan 8.230 nan 0.000 0.673 247 D N 2.098 122.466 120.400 -0.054 0.000 2.435 247 D HA 0.124 4.811 4.640 0.078 0.000 0.230 247 D C 1.323 177.490 176.300 -0.222 0.000 1.215 247 D CA -0.117 53.804 54.000 -0.132 0.000 0.947 247 D CB -0.036 40.744 40.800 -0.034 0.000 1.048 247 D HN 0.600 nan 8.370 nan 0.000 0.512 248 I N -0.773 119.503 120.570 -0.491 0.000 3.001 248 I HA -0.034 4.183 4.170 0.078 0.000 0.268 248 I C 0.450 176.286 176.117 -0.469 0.000 1.267 248 I CA 0.627 61.614 61.300 -0.522 0.000 1.472 248 I CB -0.293 37.273 38.000 -0.723 0.000 1.089 248 I HN 0.036 nan 8.210 nan 0.000 0.468 249 F N 2.240 122.098 119.950 -0.153 0.000 2.641 249 F HA 0.183 4.756 4.527 0.077 0.000 0.302 249 F C 2.333 178.097 175.800 -0.060 0.000 1.098 249 F CA -0.545 57.375 58.000 -0.135 0.000 1.318 249 F CB -0.732 38.143 39.000 -0.208 0.000 1.035 249 F HN 0.228 nan 8.300 nan 0.000 0.551 250 Q N -0.029 119.815 119.800 0.074 0.000 2.181 250 Q HA -0.201 4.186 4.340 0.078 0.000 0.205 250 Q C 0.670 176.715 176.000 0.075 0.000 0.980 250 Q CA 1.777 57.617 55.803 0.061 0.000 0.862 250 Q CB -0.395 28.361 28.738 0.029 0.000 0.905 250 Q HN 0.249 nan 8.270 nan 0.000 0.429 251 N N -0.014 118.746 118.700 0.100 0.000 2.230 251 N HA 0.178 4.965 4.740 0.078 0.000 0.202 251 N C -0.644 174.948 175.510 0.136 0.000 1.119 251 N CA -0.038 53.075 53.050 0.105 0.000 0.851 251 N CB 0.420 38.969 38.487 0.103 0.000 0.990 251 N HN 0.127 nan 8.380 nan 0.000 0.497 252 L N 1.033 122.344 121.223 0.147 0.000 2.436 252 L HA 0.159 4.546 4.340 0.078 0.000 0.265 252 L C 1.435 178.353 176.870 0.079 0.000 1.168 252 L CA -0.061 54.863 54.840 0.140 0.000 0.815 252 L CB 0.568 42.672 42.059 0.074 0.000 1.109 252 L HN 0.097 nan 8.230 nan 0.000 0.462 253 T N -1.394 113.201 114.554 0.067 0.000 2.766 253 T HA 0.124 4.521 4.350 0.078 0.000 0.295 253 T C 1.108 175.815 174.700 0.010 0.000 1.024 253 T CA -0.343 61.779 62.100 0.036 0.000 1.018 253 T CB 0.477 69.365 68.868 0.034 0.000 1.002 253 T HN 0.632 nan 8.240 nan 0.000 0.532 254 K N 0.525 120.926 120.400 0.001 0.000 2.097 254 K HA -0.157 4.210 4.320 0.078 0.000 0.206 254 K C 2.306 178.887 176.600 -0.032 0.000 1.049 254 K CA 1.489 57.766 56.287 -0.017 0.000 0.933 254 K CB -0.195 32.296 32.500 -0.015 0.000 0.717 254 K HN 0.721 nan 8.250 nan 0.000 0.442 255 K N 0.565 120.951 120.400 -0.022 0.000 2.057 255 K HA -0.192 4.175 4.320 0.078 0.000 0.207 255 K C 2.108 178.684 176.600 -0.040 0.000 1.049 255 K CA 1.627 57.896 56.287 -0.030 0.000 0.931 255 K CB 0.034 32.525 32.500 -0.015 0.000 0.714 255 K HN 0.252 nan 8.250 nan 0.000 0.440 256 Q N -0.029 119.756 119.800 -0.025 0.000 2.084 256 Q HA -0.148 4.239 4.340 0.078 0.000 0.202 256 Q C 2.193 178.118 176.000 -0.126 0.000 0.978 256 Q CA 1.571 57.350 55.803 -0.039 0.000 0.844 256 Q CB 0.008 28.759 28.738 0.022 0.000 0.898 256 Q HN 0.284 nan 8.270 nan 0.000 0.426 257 R N 0.324 120.748 120.500 -0.127 0.000 2.075 257 R HA -0.139 4.248 4.340 0.078 0.000 0.232 257 R C 2.285 178.477 176.300 -0.180 0.000 1.126 257 R CA 1.316 57.300 56.100 -0.193 0.000 0.963 257 R CB -0.086 30.143 30.300 -0.118 0.000 0.858 257 R HN 0.314 nan 8.270 nan 0.000 0.435 258 Q N -0.305 119.420 119.800 -0.126 0.000 2.079 258 Q HA -0.132 4.255 4.340 0.078 0.000 0.200 258 Q C 2.241 178.169 176.000 -0.120 0.000 0.974 258 Q CA 1.669 57.400 55.803 -0.120 0.000 0.840 258 Q CB -0.074 28.608 28.738 -0.093 0.000 0.898 258 Q HN 0.206 nan 8.270 nan 0.000 0.430 259 S N 0.599 116.235 115.700 -0.107 0.000 2.368 259 S HA -0.118 4.399 4.470 0.078 0.000 0.224 259 S C 1.869 176.424 174.600 -0.074 0.000 1.029 259 S CA 0.785 58.933 58.200 -0.087 0.000 0.988 259 S CB -0.180 62.986 63.200 -0.056 0.000 0.838 259 S HN 0.393 nan 8.310 nan 0.000 0.462 260 L N 1.429 122.569 121.223 -0.138 0.000 2.046 260 L HA -0.026 4.361 4.340 0.078 0.000 0.208 260 L C 2.633 179.460 176.870 -0.072 0.000 1.077 260 L CA 1.825 56.560 54.840 -0.176 0.000 0.747 260 L CB -0.421 41.371 42.059 -0.446 0.000 0.896 260 L HN 0.297 nan 8.230 nan 0.000 0.432 261 R N 0.041 120.480 120.500 -0.103 0.000 2.073 261 R HA -0.257 4.130 4.340 0.078 0.000 0.234 261 R C 2.458 178.773 176.300 0.025 0.000 1.134 261 R CA 2.114 58.183 56.100 -0.052 0.000 0.952 261 R CB -0.268 29.861 30.300 -0.286 0.000 0.850 261 R HN 0.353 nan 8.270 nan 0.000 0.433 262 K N 0.093 120.482 120.400 -0.019 0.000 2.057 262 K HA -0.143 4.224 4.320 0.078 0.000 0.207 262 K C 2.114 178.788 176.600 0.124 0.000 1.049 262 K CA 1.805 58.105 56.287 0.022 0.000 0.931 262 K CB -0.049 32.422 32.500 -0.047 0.000 0.714 262 K HN 0.208 nan 8.250 nan 0.000 0.440 263 M N 0.330 120.017 119.600 0.145 0.000 2.117 263 M HA -0.155 4.372 4.480 0.078 0.000 0.262 263 M C 2.150 178.549 176.300 0.164 0.000 1.065 263 M CA 1.237 56.653 55.300 0.194 0.000 1.114 263 M CB -0.076 32.621 32.600 0.162 0.000 1.361 263 M HN 0.013 nan 8.290 nan 0.000 0.408 264 V N 0.735 120.771 119.914 0.203 0.000 2.343 264 V HA -0.262 3.905 4.120 0.078 0.000 0.247 264 V C 2.191 178.434 176.094 0.248 0.000 1.051 264 V CA 1.721 64.175 62.300 0.256 0.000 1.036 264 V CB -0.529 31.545 31.823 0.419 0.000 0.654 264 V HN 0.414 nan 8.190 nan 0.000 0.451 265 I N 0.076 120.817 120.570 0.286 0.000 2.179 265 I HA -0.239 3.978 4.170 0.078 0.000 0.242 265 I C 2.297 178.500 176.117 0.144 0.000 1.088 265 I CA 1.656 63.092 61.300 0.226 0.000 1.357 265 I CB -0.510 37.593 38.000 0.172 0.000 1.051 265 I HN 0.302 nan 8.210 nan 0.000 0.409 266 D N 0.876 121.358 120.400 0.136 0.000 2.149 266 D HA -0.148 4.538 4.640 0.078 0.000 0.198 266 D C 2.216 178.557 176.300 0.069 0.000 0.990 266 D CA 1.404 55.467 54.000 0.106 0.000 0.839 266 D CB -0.156 40.728 40.800 0.141 0.000 0.948 266 D HN 0.349 nan 8.370 nan 0.000 0.460 267 I N 0.076 120.689 120.570 0.072 0.000 2.233 267 I HA -0.194 4.023 4.170 0.078 0.000 0.243 267 I C 2.378 178.523 176.117 0.047 0.000 1.093 267 I CA 0.524 61.846 61.300 0.037 0.000 1.380 267 I CB -0.091 37.925 38.000 0.028 0.000 1.067 267 I HN -0.125 nan 8.210 nan 0.000 0.413 268 V N 1.029 120.992 119.914 0.082 0.000 2.427 268 V HA -0.243 3.924 4.120 0.078 0.000 0.248 268 V C 2.365 178.517 176.094 0.097 0.000 1.051 268 V CA 1.524 63.888 62.300 0.106 0.000 1.048 268 V CB -0.509 31.390 31.823 0.128 0.000 0.666 268 V HN 0.369 nan 8.190 nan 0.000 0.456 269 L N 0.293 121.560 121.223 0.074 0.000 2.131 269 L HA -0.133 4.254 4.340 0.078 0.000 0.210 269 L C 2.552 179.440 176.870 0.031 0.000 1.092 269 L CA 1.390 56.259 54.840 0.048 0.000 0.759 269 L CB -0.663 41.419 42.059 0.039 0.000 0.903 269 L HN 0.376 nan 8.230 nan 0.000 0.435 270 A N -0.270 122.559 122.820 0.016 0.000 2.209 270 A HA -0.120 4.247 4.320 0.078 0.000 0.212 270 A C 2.252 179.805 177.584 -0.052 0.000 1.158 270 A CA 1.493 53.510 52.037 -0.034 0.000 0.742 270 A CB -0.707 18.261 19.000 -0.053 0.000 0.790 270 A HN 0.519 nan 8.150 nan 0.000 0.472 271 T N -2.346 112.230 114.554 0.038 0.000 3.085 271 T HA -0.026 4.371 4.350 0.078 0.000 0.263 271 T C 0.628 175.416 174.700 0.148 0.000 1.127 271 T CA 0.434 62.606 62.100 0.120 0.000 1.103 271 T CB -0.429 68.545 68.868 0.177 0.000 0.921 271 T HN 0.341 nan 8.240 nan 0.000 0.510 272 D N 1.282 121.739 120.400 0.095 0.000 2.434 272 D HA 0.013 4.700 4.640 0.078 0.000 0.252 272 D C 1.173 177.529 176.300 0.093 0.000 1.185 272 D CA -0.251 53.805 54.000 0.093 0.000 0.886 272 D CB 0.694 41.525 40.800 0.052 0.000 1.148 272 D HN -0.015 nan 8.370 nan 0.000 0.483 273 M N 2.684 122.366 119.600 0.138 0.000 2.446 273 M HA -0.147 4.380 4.480 0.078 0.000 0.263 273 M C 1.987 178.373 176.300 0.143 0.000 1.066 273 M CA 0.740 56.141 55.300 0.170 0.000 1.087 273 M CB -1.169 31.533 32.600 0.169 0.000 1.406 273 M HN 0.531 nan 8.290 nan 0.000 0.459 274 S N -0.208 115.549 115.700 0.094 0.000 2.474 274 S HA -0.102 4.415 4.470 0.078 0.000 0.235 274 S C 1.624 176.260 174.600 0.061 0.000 0.997 274 S CA 0.811 59.056 58.200 0.075 0.000 0.949 274 S CB -0.271 62.959 63.200 0.050 0.000 0.766 274 S HN 0.503 nan 8.310 nan 0.000 0.517 275 K N -0.314 120.112 120.400 0.042 0.000 2.374 275 K HA 0.164 4.530 4.320 0.078 0.000 0.196 275 K C 1.626 178.208 176.600 -0.030 0.000 1.023 275 K CA 0.374 56.658 56.287 -0.006 0.000 1.103 275 K CB -0.094 32.382 32.500 -0.040 0.000 0.848 275 K HN 0.542 nan 8.250 nan 0.000 0.528 276 H N 1.452 120.488 119.070 -0.057 0.000 2.289 276 H HA -0.116 4.487 4.556 0.078 0.000 0.296 276 H C 1.875 177.219 175.328 0.027 0.000 1.091 276 H CA 1.958 57.991 56.048 -0.024 0.000 1.274 276 H CB 0.155 30.012 29.762 0.158 0.000 1.364 276 H HN -0.050 nan 8.280 nan 0.000 0.490 277 M N 0.391 119.925 119.600 -0.110 0.000 2.108 277 M HA -0.153 4.374 4.480 0.078 0.000 0.261 277 M C 1.850 178.072 176.300 -0.130 0.000 1.066 277 M CA 1.291 56.503 55.300 -0.146 0.000 1.107 277 M CB -0.967 31.643 32.600 0.017 0.000 1.356 277 M HN 0.369 nan 8.290 nan 0.000 0.406 278 N N 0.398 119.049 118.700 -0.082 0.000 2.216 278 N HA 0.001 4.788 4.740 0.078 0.000 0.183 278 N C 1.861 177.321 175.510 -0.083 0.000 1.017 278 N CA 0.898 53.910 53.050 -0.062 0.000 0.861 278 N CB -0.365 38.101 38.487 -0.036 0.000 0.986 278 N HN 0.307 nan 8.380 nan 0.000 0.428 279 L N -0.075 121.076 121.223 -0.120 0.000 2.046 279 L HA -0.134 4.253 4.340 0.078 0.000 0.208 279 L C 2.087 178.898 176.870 -0.097 0.000 1.077 279 L CA 0.670 55.443 54.840 -0.112 0.000 0.747 279 L CB -0.333 41.626 42.059 -0.167 0.000 0.896 279 L HN 0.183 nan 8.230 nan 0.000 0.432 280 L N -0.013 121.109 121.223 -0.169 0.000 2.056 280 L HA -0.115 4.272 4.340 0.078 0.000 0.207 280 L C 2.595 179.422 176.870 -0.071 0.000 1.078 280 L CA 1.973 56.732 54.840 -0.135 0.000 0.749 280 L CB -0.758 41.142 42.059 -0.265 0.000 0.901 280 L HN 0.137 nan 8.230 nan 0.000 0.433 281 A N -0.757 122.019 122.820 -0.072 0.000 1.902 281 A HA -0.221 4.146 4.320 0.078 0.000 0.217 281 A C 1.994 179.563 177.584 -0.027 0.000 1.181 281 A CA 1.952 53.966 52.037 -0.037 0.000 0.623 281 A CB -0.822 18.159 19.000 -0.031 0.000 0.818 281 A HN 0.517 nan 8.150 nan 0.000 0.443 282 D N -0.681 119.701 120.400 -0.030 0.000 2.144 282 D HA -0.083 4.604 4.640 0.078 0.000 0.200 282 D C 1.798 178.089 176.300 -0.014 0.000 0.978 282 D CA 0.896 54.883 54.000 -0.020 0.000 0.833 282 D CB -0.320 40.467 40.800 -0.021 0.000 0.961 282 D HN 0.328 nan 8.370 nan 0.000 0.470 283 L N 1.194 122.411 121.223 -0.010 0.000 2.046 283 L HA -0.126 4.261 4.340 0.078 0.000 0.208 283 L C 1.873 178.738 176.870 -0.008 0.000 1.077 283 L CA 1.764 56.607 54.840 0.005 0.000 0.747 283 L CB -0.242 41.837 42.059 0.035 0.000 0.896 283 L HN -0.151 nan 8.230 nan 0.000 0.432 284 K N -1.448 118.947 120.400 -0.009 0.000 2.097 284 K HA -0.127 4.240 4.320 0.078 0.000 0.206 284 K C 1.903 178.495 176.600 -0.015 0.000 1.049 284 K CA 1.785 58.067 56.287 -0.009 0.000 0.933 284 K CB -0.325 32.173 32.500 -0.003 0.000 0.717 284 K HN 0.362 nan 8.250 nan 0.000 0.442 285 T N 1.554 116.099 114.554 -0.015 0.000 2.788 285 T HA -0.151 4.246 4.350 0.078 0.000 0.268 285 T C 1.699 176.386 174.700 -0.023 0.000 1.044 285 T CA 1.306 63.396 62.100 -0.016 0.000 1.139 285 T CB -0.074 68.785 68.868 -0.014 0.000 0.867 285 T HN 0.278 nan 8.240 nan 0.000 0.454 286 M N 0.819 120.404 119.600 -0.026 0.000 2.175 286 M HA -0.071 4.456 4.480 0.078 0.000 0.264 286 M C 2.090 178.361 176.300 -0.048 0.000 1.063 286 M CA 1.382 56.661 55.300 -0.036 0.000 1.119 286 M CB -0.239 32.339 32.600 -0.036 0.000 1.377 286 M HN 0.048 nan 8.290 nan 0.000 0.415 287 V N 1.103 120.987 119.914 -0.050 0.000 2.332 287 V HA -0.276 3.891 4.120 0.078 0.000 0.248 287 V C 2.009 178.073 176.094 -0.050 0.000 1.055 287 V CA 2.265 64.529 62.300 -0.059 0.000 1.038 287 V CB -0.847 30.945 31.823 -0.050 0.000 0.651 287 V HN 0.560 nan 8.190 nan 0.000 0.450 288 E N 0.169 120.347 120.200 -0.037 0.000 2.106 288 E HA -0.142 4.255 4.350 0.078 0.000 0.192 288 E C 1.963 178.543 176.600 -0.034 0.000 0.984 288 E CA 1.652 58.033 56.400 -0.032 0.000 0.806 288 E CB -0.151 29.536 29.700 -0.023 0.000 0.750 288 E HN 0.772 nan 8.360 nan 0.000 0.458 289 T N -1.135 113.399 114.554 -0.034 0.000 3.145 289 T HA 0.142 4.539 4.350 0.078 0.000 0.255 289 T C 0.447 175.123 174.700 -0.040 0.000 1.039 289 T CA -0.516 61.564 62.100 -0.033 0.000 0.928 289 T CB 0.009 68.861 68.868 -0.027 0.000 1.029 289 T HN -0.104 nan 8.240 nan 0.000 0.554 290 K N 2.060 122.430 120.400 -0.050 0.000 2.586 290 K HA -0.013 4.354 4.320 0.078 0.000 0.280 290 K C -0.586 175.980 176.600 -0.057 0.000 0.972 290 K CA 0.570 56.821 56.287 -0.061 0.000 1.040 290 K CB 0.301 32.758 32.500 -0.072 0.000 0.870 290 K HN 0.267 nan 8.250 nan 0.000 0.497 291 K N 3.673 124.036 120.400 -0.061 0.000 2.463 291 K HA 0.323 4.690 4.320 0.078 0.000 0.255 291 K C -1.193 175.368 176.600 -0.065 0.000 0.942 291 K CA -0.939 55.314 56.287 -0.056 0.000 0.814 291 K CB 1.861 34.331 32.500 -0.049 0.000 1.122 291 K HN 0.492 nan 8.250 nan 0.000 0.425 292 V N -1.062 118.816 119.914 -0.060 0.000 3.102 292 V HA 0.574 4.741 4.120 0.078 0.000 0.312 292 V C 0.312 176.375 176.094 -0.052 0.000 1.135 292 V CA -0.944 61.318 62.300 -0.063 0.000 1.022 292 V CB 1.419 33.204 31.823 -0.064 0.000 1.056 292 V HN 0.859 nan 8.190 nan 0.000 0.436 293 T N -0.365 114.158 114.554 -0.052 0.000 2.729 293 T HA 0.240 4.637 4.350 0.078 0.000 0.298 293 T C 1.427 176.105 174.700 -0.037 0.000 1.013 293 T CA 0.433 62.507 62.100 -0.043 0.000 0.957 293 T CB 0.597 69.440 68.868 -0.042 0.000 1.130 293 T HN 1.674 nan 8.240 nan 0.000 0.526 294 S N -0.516 115.165 115.700 -0.031 0.000 2.453 294 S HA -0.042 4.475 4.470 0.078 0.000 0.231 294 S C 1.890 176.475 174.600 -0.025 0.000 1.005 294 S CA 0.630 58.814 58.200 -0.026 0.000 0.949 294 S CB -0.744 62.443 63.200 -0.022 0.000 0.774 294 S HN 0.615 nan 8.310 nan 0.000 0.510 295 S N 0.623 116.307 115.700 -0.027 0.000 2.593 295 S HA 0.438 4.955 4.470 0.078 0.000 0.217 295 S C 1.423 176.007 174.600 -0.028 0.000 0.966 295 S CA 0.360 58.545 58.200 -0.025 0.000 0.914 295 S CB -0.053 63.132 63.200 -0.025 0.000 0.776 295 S HN 1.040 nan 8.310 nan 0.000 0.523 296 G N 1.143 109.922 108.800 -0.034 0.000 2.143 296 G HA2 -0.239 3.768 3.960 0.078 0.000 0.249 296 G HA3 -0.239 3.768 3.960 0.078 0.000 0.249 296 G C 0.095 174.962 174.900 -0.056 0.000 0.981 296 G CA 0.009 45.086 45.100 -0.040 0.000 0.665 296 G HN 0.402 nan 8.290 nan 0.000 0.528 297 V N 1.877 121.756 119.914 -0.059 0.000 2.614 297 V HA 0.382 4.549 4.120 0.078 0.000 0.291 297 V C 1.428 177.466 176.094 -0.093 0.000 1.049 297 V CA -0.476 61.779 62.300 -0.075 0.000 1.038 297 V CB 1.473 33.255 31.823 -0.068 0.000 0.980 297 V HN 0.339 nan 8.190 nan 0.000 0.481 298 L N 5.668 126.820 121.223 -0.120 0.000 2.453 298 L HA 0.259 4.646 4.340 0.078 0.000 0.272 298 L C -0.243 176.542 176.870 -0.140 0.000 1.182 298 L CA 0.020 54.779 54.840 -0.135 0.000 0.858 298 L CB 0.399 42.359 42.059 -0.165 0.000 1.120 298 L HN 0.466 nan 8.230 nan 0.000 0.474 299 L N 6.058 127.212 121.223 -0.115 0.000 2.295 299 L HA 0.457 4.844 4.340 0.078 0.000 0.281 299 L C -0.648 176.162 176.870 -0.100 0.000 1.018 299 L CA -0.198 54.580 54.840 -0.104 0.000 0.841 299 L CB 0.911 42.925 42.059 -0.075 0.000 1.218 299 L HN 0.454 nan 8.230 nan 0.000 0.424 300 L N 2.856 124.006 121.223 -0.122 0.000 2.342 300 L HA 0.355 4.742 4.340 0.078 0.000 0.276 300 L C 0.179 177.008 176.870 -0.067 0.000 0.997 300 L CA -0.306 54.476 54.840 -0.097 0.000 0.838 300 L CB 2.105 44.086 42.059 -0.131 0.000 1.224 300 L HN 0.428 nan 8.230 nan 0.000 0.416 301 D N 1.504 121.884 120.400 -0.033 0.000 2.468 301 D HA -0.035 4.651 4.640 0.078 0.000 0.243 301 D C 0.615 176.929 176.300 0.023 0.000 0.994 301 D CA 0.776 54.771 54.000 -0.010 0.000 0.932 301 D CB 0.463 41.258 40.800 -0.007 0.000 1.078 301 D HN 0.665 nan 8.370 nan 0.000 0.473 302 N N -1.044 117.676 118.700 0.032 0.000 2.463 302 N HA 0.026 4.813 4.740 0.078 0.000 0.270 302 N C 0.505 176.077 175.510 0.104 0.000 1.205 302 N CA -0.538 52.557 53.050 0.074 0.000 0.974 302 N CB 0.034 38.561 38.487 0.067 0.000 1.197 302 N HN 0.029 nan 8.380 nan 0.000 0.504 303 Y N 0.536 120.855 120.300 0.033 0.000 2.165 303 Y HA -0.235 4.362 4.550 0.079 0.000 0.286 303 Y C 2.547 178.476 175.900 0.049 0.000 1.155 303 Y CA 2.169 60.296 58.100 0.046 0.000 1.164 303 Y CB -0.612 37.868 38.460 0.034 0.000 0.978 303 Y HN 0.691 nan 8.280 nan 0.000 0.513 304 S N -0.245 115.476 115.700 0.035 0.000 2.365 304 S HA -0.221 4.296 4.470 0.078 0.000 0.225 304 S C 1.760 176.308 174.600 -0.087 0.000 1.039 304 S CA 1.998 60.178 58.200 -0.033 0.000 1.033 304 S CB -0.487 62.736 63.200 0.037 0.000 0.887 304 S HN 0.623 nan 8.310 nan 0.000 0.447 305 D N 0.415 120.787 120.400 -0.047 0.000 2.149 305 D HA 0.017 4.704 4.640 0.078 0.000 0.201 305 D C 2.329 178.617 176.300 -0.020 0.000 0.972 305 D CA 0.783 54.764 54.000 -0.031 0.000 0.835 305 D CB -0.274 40.516 40.800 -0.018 0.000 0.966 305 D HN 0.419 nan 8.370 nan 0.000 0.476 306 R N 0.121 120.604 120.500 -0.028 0.000 2.066 306 R HA -0.058 4.329 4.340 0.078 0.000 0.232 306 R C 2.259 178.568 176.300 0.015 0.000 1.131 306 R CA 0.586 56.743 56.100 0.094 0.000 0.955 306 R CB -0.284 30.094 30.300 0.130 0.000 0.851 306 R HN 0.094 nan 8.270 nan 0.000 0.432 307 I N 1.260 121.651 120.570 -0.297 0.000 2.394 307 I HA -0.242 3.974 4.170 0.078 0.000 0.251 307 I C 2.452 178.482 176.117 -0.145 0.000 1.136 307 I CA 1.411 62.512 61.300 -0.333 0.000 1.425 307 I CB -0.320 37.261 38.000 -0.698 0.000 1.079 307 I HN 0.181 nan 8.210 nan 0.000 0.425 308 Q N 0.271 120.010 119.800 -0.101 0.000 2.084 308 Q HA -0.154 4.233 4.340 0.078 0.000 0.202 308 Q C 2.172 178.194 176.000 0.035 0.000 0.978 308 Q CA 2.201 57.985 55.803 -0.032 0.000 0.844 308 Q CB -0.237 28.488 28.738 -0.022 0.000 0.898 308 Q HN 0.413 nan 8.270 nan 0.000 0.426 309 V N 1.266 121.235 119.914 0.093 0.000 2.427 309 V HA -0.245 3.921 4.120 0.078 0.000 0.248 309 V C 2.556 178.757 176.094 0.179 0.000 1.051 309 V CA 1.295 63.726 62.300 0.217 0.000 1.048 309 V CB -0.508 31.500 31.823 0.308 0.000 0.666 309 V HN 0.294 nan 8.190 nan 0.000 0.456 310 L N -0.680 120.551 121.223 0.013 0.000 2.093 310 L HA -0.212 4.175 4.340 0.078 0.000 0.208 310 L C 2.652 179.474 176.870 -0.080 0.000 1.085 310 L CA 1.510 56.266 54.840 -0.139 0.000 0.755 310 L CB -0.559 41.344 42.059 -0.259 0.000 0.904 310 L HN 0.361 nan 8.230 nan 0.000 0.435 311 Q N -0.237 119.535 119.800 -0.047 0.000 2.050 311 Q HA -0.180 4.207 4.340 0.078 0.000 0.202 311 Q C 2.046 178.031 176.000 -0.026 0.000 0.980 311 Q CA 1.409 57.188 55.803 -0.040 0.000 0.840 311 Q CB -0.108 28.605 28.738 -0.042 0.000 0.898 311 Q HN 0.472 nan 8.270 nan 0.000 0.424 312 N N 0.301 119.007 118.700 0.010 0.000 2.309 312 N HA -0.131 4.655 4.740 0.078 0.000 0.182 312 N C 1.668 177.050 175.510 -0.212 0.000 1.018 312 N CA 0.876 53.936 53.050 0.017 0.000 0.876 312 N CB -0.086 38.483 38.487 0.137 0.000 0.972 312 N HN 0.294 nan 8.380 nan 0.000 0.434 313 M N 0.576 120.031 119.600 -0.242 0.000 2.067 313 M HA -0.127 4.400 4.480 0.078 0.000 0.260 313 M C 1.758 177.826 176.300 -0.386 0.000 1.069 313 M CA 1.407 56.381 55.300 -0.544 0.000 1.117 313 M CB 0.046 32.511 32.600 -0.225 0.000 1.334 313 M HN -0.149 nan 8.290 nan 0.000 0.407 314 V N -0.265 119.524 119.914 -0.208 0.000 2.515 314 V HA -0.254 3.913 4.120 0.078 0.000 0.250 314 V C 2.317 178.324 176.094 -0.146 0.000 1.058 314 V CA 2.097 64.295 62.300 -0.171 0.000 1.064 314 V CB -1.243 30.500 31.823 -0.133 0.000 0.675 314 V HN 0.594 nan 8.190 nan 0.000 0.461 315 H N -0.361 118.582 119.070 -0.211 0.000 2.353 315 H HA -0.178 4.427 4.556 0.082 0.000 0.300 315 H C 2.269 177.475 175.328 -0.203 0.000 1.090 315 H CA 2.190 58.146 56.048 -0.154 0.000 1.327 315 H CB -0.600 29.103 29.762 -0.099 0.000 1.383 315 H HN 0.395 nan 8.280 nan 0.000 0.508 316 C N 0.321 119.349 119.300 -0.452 0.000 2.429 316 C HA -0.035 4.472 4.460 0.078 0.000 0.277 316 C C 3.120 178.008 174.990 -0.169 0.000 1.262 316 C CA 1.070 59.667 59.018 -0.701 0.000 1.733 316 C CB -1.366 25.506 27.740 -1.447 0.000 2.010 316 C HN 0.779 nan 8.230 nan 0.000 0.483 317 A N 0.174 122.914 122.820 -0.134 0.000 1.908 317 A HA -0.248 4.119 4.320 0.078 0.000 0.218 317 A C 1.892 179.439 177.584 -0.062 0.000 1.181 317 A CA 2.329 54.364 52.037 -0.002 0.000 0.627 317 A CB -0.725 18.225 19.000 -0.084 0.000 0.818 317 A HN 0.558 nan 8.150 nan 0.000 0.445 318 D N -0.329 120.006 120.400 -0.109 0.000 2.144 318 D HA -0.069 4.618 4.640 0.078 0.000 0.199 318 D C 1.158 177.497 176.300 0.065 0.000 0.984 318 D CA 0.921 54.913 54.000 -0.013 0.000 0.834 318 D CB -0.120 40.680 40.800 -0.000 0.000 0.955 318 D HN 0.403 nan 8.370 nan 0.000 0.465 319 L N 0.321 121.541 121.223 -0.004 0.000 2.912 319 L HA 0.164 4.551 4.340 0.078 0.000 0.240 319 L C 1.454 178.446 176.870 0.205 0.000 1.262 319 L CA -0.072 54.803 54.840 0.059 0.000 1.058 319 L CB 0.247 42.230 42.059 -0.127 0.000 1.383 319 L HN -0.021 nan 8.230 nan 0.000 0.512 320 S N -3.071 112.725 115.700 0.160 0.000 2.524 320 S HA -0.013 4.504 4.470 0.078 0.000 0.216 320 S C 1.268 175.804 174.600 -0.108 0.000 0.987 320 S CA -0.039 58.250 58.200 0.148 0.000 0.909 320 S CB -0.260 63.058 63.200 0.197 0.000 0.781 320 S HN 0.505 nan 8.310 nan 0.000 0.521 321 N N 3.096 121.711 118.700 -0.141 0.000 2.037 321 N HA -0.091 4.696 4.740 0.078 0.000 0.196 321 N C -1.328 173.981 175.510 -0.335 0.000 1.034 321 N CA 1.700 54.663 53.050 -0.145 0.000 0.861 321 N CB -1.004 37.499 38.487 0.026 0.000 1.039 321 N HN 0.432 nan 8.380 nan 0.000 0.427 322 P HA -0.054 nan 4.420 nan 0.000 0.234 322 P C 0.871 177.825 177.300 -0.577 0.000 1.167 322 P CA 1.137 63.482 63.100 -1.258 0.000 0.763 322 P CB -0.030 31.208 31.700 -0.770 0.000 0.835 323 T N -5.175 109.157 114.554 -0.370 0.000 3.086 323 T HA 0.156 4.553 4.350 0.078 0.000 0.250 323 T C 0.817 175.538 174.700 0.035 0.000 1.074 323 T CA -0.113 61.847 62.100 -0.233 0.000 0.988 323 T CB -0.230 68.353 68.868 -0.476 0.000 0.988 323 T HN -0.156 nan 8.240 nan 0.000 0.530 324 K N 2.127 122.512 120.400 -0.025 0.000 2.090 324 K HA 0.454 4.821 4.320 0.078 0.000 0.249 324 K C -2.816 173.840 176.600 0.093 0.000 0.995 324 K CA -2.797 53.498 56.287 0.013 0.000 0.914 324 K CB 0.329 32.819 32.500 -0.017 0.000 1.057 324 K HN 0.027 nan 8.250 nan 0.000 0.462 325 P HA -0.102 nan 4.420 nan 0.000 0.263 325 P C 0.947 178.298 177.300 0.084 0.000 1.175 325 P CA 0.024 63.167 63.100 0.073 0.000 0.761 325 P CB 0.355 32.090 31.700 0.058 0.000 0.794 326 L N 3.997 125.235 121.223 0.024 0.000 2.051 326 L HA -0.268 4.119 4.340 0.078 0.000 0.214 326 L C 2.364 179.177 176.870 -0.094 0.000 1.076 326 L CA 1.945 56.761 54.840 -0.040 0.000 0.758 326 L CB -1.186 40.686 42.059 -0.311 0.000 0.890 326 L HN 0.493 nan 8.230 nan 0.000 0.433 327 Q N -0.720 119.006 119.800 -0.124 0.000 2.135 327 Q HA -0.237 4.150 4.340 0.078 0.000 0.204 327 Q C 2.120 178.061 176.000 -0.098 0.000 0.981 327 Q CA 2.347 58.060 55.803 -0.149 0.000 0.856 327 Q CB -0.657 27.987 28.738 -0.157 0.000 0.902 327 Q HN 0.622 nan 8.270 nan 0.000 0.425 328 L N -0.456 120.780 121.223 0.021 0.000 2.068 328 L HA -0.111 4.276 4.340 0.078 0.000 0.204 328 L C 2.709 179.720 176.870 0.235 0.000 1.076 328 L CA 1.102 56.014 54.840 0.120 0.000 0.753 328 L CB -0.777 41.419 42.059 0.229 0.000 0.910 328 L HN 0.164 nan 8.230 nan 0.000 0.439 329 Y N 1.689 122.111 120.300 0.203 0.000 2.114 329 Y HA -0.278 4.316 4.550 0.072 0.000 0.282 329 Y C 2.670 178.724 175.900 0.256 0.000 1.165 329 Y CA 1.528 59.825 58.100 0.329 0.000 1.148 329 Y CB -0.515 38.101 38.460 0.260 0.000 0.972 329 Y HN 0.040 nan 8.280 nan 0.000 0.504 330 R N -0.156 120.378 120.500 0.057 0.000 2.096 330 R HA -0.192 4.195 4.340 0.078 0.000 0.235 330 R C 2.333 178.582 176.300 -0.085 0.000 1.127 330 R CA 1.747 57.803 56.100 -0.073 0.000 0.968 330 R CB -0.313 29.885 30.300 -0.170 0.000 0.861 330 R HN 0.534 nan 8.270 nan 0.000 0.440 331 Q N -0.822 118.854 119.800 -0.206 0.000 2.119 331 Q HA -0.173 4.214 4.340 0.078 0.000 0.201 331 Q C 1.751 177.594 176.000 -0.261 0.000 0.972 331 Q CA 1.433 56.971 55.803 -0.442 0.000 0.847 331 Q CB -0.079 28.052 28.738 -1.012 0.000 0.903 331 Q HN 0.483 nan 8.270 nan 0.000 0.433 332 W N 0.356 121.743 121.300 0.145 0.000 2.388 332 W HA -0.140 4.545 4.660 0.041 0.000 0.294 332 W C 2.395 179.002 176.519 0.148 0.000 1.212 332 W CA 0.994 58.493 57.345 0.258 0.000 1.271 332 W CB -0.220 29.467 29.460 0.379 0.000 1.126 332 W HN 0.068 nan 8.180 nan 0.000 0.535 333 T N -0.012 114.710 114.554 0.279 0.000 2.746 333 T HA -0.201 4.196 4.350 0.078 0.000 0.267 333 T C 1.088 175.760 174.700 -0.047 0.000 1.039 333 T CA 1.744 63.878 62.100 0.057 0.000 1.142 333 T CB -0.504 68.366 68.868 0.003 0.000 0.866 333 T HN 0.029 nan 8.240 nan 0.000 0.444 334 D N 0.842 121.219 120.400 -0.038 0.000 2.123 334 D HA -0.042 4.645 4.640 0.078 0.000 0.196 334 D C 2.407 178.651 176.300 -0.093 0.000 0.992 334 D CA 0.992 54.943 54.000 -0.081 0.000 0.833 334 D CB -0.167 40.569 40.800 -0.106 0.000 0.954 334 D HN 0.334 nan 8.370 nan 0.000 0.455 335 R N -0.189 120.299 120.500 -0.021 0.000 2.062 335 R HA -0.027 4.360 4.340 0.078 0.000 0.229 335 R C 2.330 178.615 176.300 -0.025 0.000 1.128 335 R CA 0.444 56.568 56.100 0.041 0.000 0.960 335 R CB -0.302 30.110 30.300 0.186 0.000 0.855 335 R HN 0.116 nan 8.270 nan 0.000 0.432 336 I N 0.623 121.116 120.570 -0.129 0.000 2.286 336 I HA -0.243 3.974 4.170 0.078 0.000 0.248 336 I C 1.847 177.509 176.117 -0.757 0.000 1.115 336 I CA 1.468 62.381 61.300 -0.645 0.000 1.392 336 I CB 0.033 37.403 38.000 -1.051 0.000 1.065 336 I HN 0.116 nan 8.210 nan 0.000 0.418 337 M N -0.386 118.850 119.600 -0.606 0.000 2.132 337 M HA -0.188 4.339 4.480 0.078 0.000 0.263 337 M C 2.231 178.047 176.300 -0.807 0.000 1.065 337 M CA 1.485 56.289 55.300 -0.827 0.000 1.122 337 M CB -1.527 30.634 32.600 -0.731 0.000 1.365 337 M HN 0.362 nan 8.290 nan 0.000 0.411 338 E N 0.365 120.345 120.200 -0.366 0.000 2.085 338 E HA -0.250 4.147 4.350 0.078 0.000 0.194 338 E C 1.978 178.555 176.600 -0.039 0.000 0.994 338 E CA 1.570 57.901 56.400 -0.114 0.000 0.801 338 E CB 0.030 29.709 29.700 -0.034 0.000 0.743 338 E HN 0.591 nan 8.360 nan 0.000 0.453 339 E N -0.717 119.448 120.200 -0.058 0.000 2.051 339 E HA -0.186 4.211 4.350 0.078 0.000 0.192 339 E C 1.862 178.567 176.600 0.175 0.000 0.991 339 E CA 1.106 57.542 56.400 0.061 0.000 0.799 339 E CB -0.119 29.626 29.700 0.075 0.000 0.748 339 E HN 0.234 nan 8.360 nan 0.000 0.449 340 F N 0.142 119.988 119.950 -0.174 0.000 2.134 340 F HA -0.148 4.429 4.527 0.083 0.000 0.299 340 F C 2.113 177.922 175.800 0.016 0.000 1.097 340 F CA 0.798 58.718 58.000 -0.134 0.000 1.264 340 F CB -0.909 37.953 39.000 -0.229 0.000 1.001 340 F HN 0.121 nan 8.300 nan 0.000 0.479 341 F N 0.378 120.409 119.950 0.135 0.000 2.171 341 F HA -0.145 4.431 4.527 0.081 0.000 0.300 341 F C 2.442 178.246 175.800 0.007 0.000 1.090 341 F CA 0.881 58.901 58.000 0.034 0.000 1.293 341 F CB -1.352 37.644 39.000 -0.006 0.000 1.013 341 F HN -0.046 nan 8.300 nan 0.000 0.486 342 R N -0.120 120.499 120.500 0.199 0.000 2.092 342 R HA -0.184 4.203 4.340 0.078 0.000 0.231 342 R C 2.219 178.537 176.300 0.030 0.000 1.119 342 R CA 1.353 57.511 56.100 0.097 0.000 0.970 342 R CB -0.493 29.851 30.300 0.074 0.000 0.864 342 R HN 0.376 nan 8.270 nan 0.000 0.440 343 Q N -0.025 119.771 119.800 -0.007 0.000 2.084 343 Q HA -0.121 4.266 4.340 0.078 0.000 0.202 343 Q C 1.972 177.949 176.000 -0.039 0.000 0.978 343 Q CA 1.795 57.507 55.803 -0.152 0.000 0.844 343 Q CB -0.209 28.395 28.738 -0.224 0.000 0.898 343 Q HN 0.406 nan 8.270 nan 0.000 0.426 344 G N 0.398 109.226 108.800 0.046 0.000 2.432 344 G HA2 -0.250 3.756 3.960 0.078 0.000 0.219 344 G HA3 -0.250 3.756 3.960 0.078 0.000 0.219 344 G C 0.902 175.845 174.900 0.071 0.000 1.135 344 G CA 0.979 46.125 45.100 0.077 0.000 0.767 344 G HN 0.376 nan 8.290 nan 0.000 0.550 345 D N 0.441 120.878 120.400 0.061 0.000 2.117 345 D HA -0.027 4.660 4.640 0.078 0.000 0.198 345 D C 2.700 179.045 176.300 0.074 0.000 0.982 345 D CA 0.547 54.580 54.000 0.055 0.000 0.828 345 D CB -0.186 40.642 40.800 0.046 0.000 0.967 345 D HN 0.249 nan 8.370 nan 0.000 0.464 346 R N 0.574 121.121 120.500 0.078 0.000 2.092 346 R HA -0.058 4.329 4.340 0.078 0.000 0.231 346 R C 2.177 178.603 176.300 0.209 0.000 1.119 346 R CA 0.928 57.108 56.100 0.134 0.000 0.970 346 R CB -0.075 30.292 30.300 0.111 0.000 0.864 346 R HN 0.305 nan 8.270 nan 0.000 0.440 347 E N 0.098 120.435 120.200 0.227 0.000 2.072 347 E HA -0.176 4.221 4.350 0.078 0.000 0.191 347 E C 2.070 178.739 176.600 0.115 0.000 0.985 347 E CA 0.783 57.309 56.400 0.209 0.000 0.801 347 E CB -0.021 29.795 29.700 0.194 0.000 0.750 347 E HN 0.199 nan 8.360 nan 0.000 0.452 348 R N 1.066 121.623 120.500 0.095 0.000 2.092 348 R HA -0.134 4.253 4.340 0.078 0.000 0.231 348 R C 1.823 178.161 176.300 0.064 0.000 1.119 348 R CA 1.208 57.351 56.100 0.072 0.000 0.970 348 R CB 0.103 30.447 30.300 0.073 0.000 0.864 348 R HN 0.170 nan 8.270 nan 0.000 0.440 349 E N -0.252 119.991 120.200 0.072 0.000 2.150 349 E HA -0.160 4.237 4.350 0.078 0.000 0.193 349 E C 1.820 178.452 176.600 0.054 0.000 0.985 349 E CA 0.961 57.397 56.400 0.061 0.000 0.814 349 E CB 0.135 29.876 29.700 0.067 0.000 0.752 349 E HN 0.278 nan 8.360 nan 0.000 0.466 350 R N -0.724 119.813 120.500 0.063 0.000 2.297 350 R HA 0.083 4.470 4.340 0.078 0.000 0.197 350 R C 1.015 177.329 176.300 0.023 0.000 0.943 350 R CA 0.500 56.624 56.100 0.040 0.000 1.038 350 R CB 0.601 30.924 30.300 0.039 0.000 0.957 350 R HN 0.201 nan 8.270 nan 0.000 0.484 351 G N 1.241 110.059 108.800 0.030 0.000 2.147 351 G HA2 -0.301 3.706 3.960 0.078 0.000 0.244 351 G HA3 -0.301 3.706 3.960 0.078 0.000 0.244 351 G C 0.083 174.992 174.900 0.015 0.000 1.005 351 G CA 0.157 45.269 45.100 0.020 0.000 0.713 351 G HN 0.154 nan 8.290 nan 0.000 0.515 352 M N -0.364 119.248 119.600 0.021 0.000 2.368 352 M HA 0.560 5.087 4.480 0.078 0.000 0.311 352 M C 0.566 176.882 176.300 0.026 0.000 1.168 352 M CA -0.811 54.497 55.300 0.012 0.000 1.044 352 M CB 0.717 33.320 32.600 0.004 0.000 1.506 352 M HN 0.136 nan 8.290 nan 0.000 0.475 353 E N 1.402 121.613 120.200 0.018 0.000 2.376 353 E HA 0.210 4.607 4.350 0.078 0.000 0.266 353 E C -1.263 175.359 176.600 0.038 0.000 1.009 353 E CA 0.124 56.538 56.400 0.024 0.000 0.902 353 E CB 0.282 29.990 29.700 0.013 0.000 0.972 353 E HN 0.417 nan 8.360 nan 0.000 0.439 354 I N 3.877 124.473 120.570 0.043 0.000 2.471 354 I HA 0.038 4.255 4.170 0.078 0.000 0.286 354 I C 0.502 176.641 176.117 0.036 0.000 1.079 354 I CA -0.192 61.139 61.300 0.051 0.000 1.398 354 I CB 0.914 38.946 38.000 0.054 0.000 1.403 354 I HN 0.442 nan 8.210 nan 0.000 0.530 355 S N 7.439 123.155 115.700 0.026 0.000 2.576 355 S HA 0.115 4.632 4.470 0.078 0.000 0.272 355 S C -2.151 172.440 174.600 -0.014 0.000 1.352 355 S CA -0.767 57.425 58.200 -0.012 0.000 1.021 355 S CB 0.026 63.188 63.200 -0.063 0.000 0.887 355 S HN 0.413 nan 8.310 nan 0.000 0.542 356 P HA 0.117 nan 4.420 nan 0.000 0.264 356 P C 0.213 177.527 177.300 0.024 0.000 1.193 356 P CA 0.445 63.549 63.100 0.007 0.000 0.763 356 P CB 0.008 31.708 31.700 -0.000 0.000 0.810 357 M N -0.195 119.462 119.600 0.095 0.000 2.908 357 M HA -0.245 4.281 4.480 0.078 0.000 0.191 357 M C 0.067 176.537 176.300 0.282 0.000 0.619 357 M CA 0.597 56.010 55.300 0.187 0.000 0.709 357 M CB -2.676 30.044 32.600 0.200 0.000 2.554 357 M HN 0.339 nan 8.290 nan 0.000 0.356 358 C N -0.095 119.324 119.300 0.199 0.000 3.038 358 C HA 0.199 4.706 4.460 0.078 0.000 0.279 358 C C 0.914 176.076 174.990 0.286 0.000 1.276 358 C CA -0.191 58.982 59.018 0.258 0.000 1.697 358 C CB -0.357 27.416 27.740 0.055 0.000 2.032 358 C HN 0.444 nan 8.230 nan 0.000 0.636 359 D N 1.616 122.124 120.400 0.180 0.000 2.428 359 D HA 0.092 4.779 4.640 0.078 0.000 0.221 359 D C 1.352 177.482 176.300 -0.283 0.000 1.123 359 D CA -0.036 53.958 54.000 -0.010 0.000 0.869 359 D CB 0.702 41.518 40.800 0.025 0.000 1.032 359 D HN 0.464 nan 8.370 nan 0.000 0.506 360 K N 3.278 123.211 120.400 -0.777 0.000 2.360 360 K HA -0.162 4.205 4.320 0.078 0.000 0.201 360 K C 0.564 176.713 176.600 -0.751 0.000 1.046 360 K CA 0.994 56.419 56.287 -1.438 0.000 0.945 360 K CB -0.055 31.582 32.500 -1.438 0.000 0.750 360 K HN 0.436 nan 8.250 nan 0.000 0.464 361 H N 0.704 119.610 119.070 -0.272 0.000 2.544 361 H HA 0.167 4.770 4.556 0.079 0.000 0.269 361 H C 0.164 175.437 175.328 -0.091 0.000 0.970 361 H CA 0.370 56.329 56.048 -0.149 0.000 1.219 361 H CB 0.334 30.038 29.762 -0.097 0.000 1.421 361 H HN 0.286 nan 8.280 nan 0.000 0.555 362 N N 0.732 119.437 118.700 0.009 0.000 2.672 362 N HA 0.353 5.139 4.740 0.078 0.000 0.295 362 N C -0.787 174.750 175.510 0.044 0.000 1.924 362 N CA 0.015 53.085 53.050 0.032 0.000 0.851 362 N CB 1.637 40.151 38.487 0.045 0.000 1.281 362 N HN 0.084 nan 8.380 nan 0.000 0.494 363 A N 0.087 122.934 122.820 0.044 0.000 2.337 363 A HA 0.782 5.149 4.320 0.078 0.000 0.331 363 A C -0.059 177.590 177.584 0.109 0.000 1.137 363 A CA -0.486 51.627 52.037 0.126 0.000 0.807 363 A CB 1.053 20.207 19.000 0.258 0.000 1.250 363 A HN 0.096 nan 8.150 nan 0.000 0.468 364 S N 1.193 116.963 115.700 0.117 0.000 2.216 364 S HA 0.225 4.742 4.470 0.078 0.000 0.156 364 S C 0.867 175.523 174.600 0.093 0.000 1.665 364 S CA -0.486 57.768 58.200 0.090 0.000 1.262 364 S CB 0.815 64.059 63.200 0.072 0.000 1.207 364 S HN 0.522 nan 8.310 nan 0.000 0.427 365 V N 2.011 121.990 119.914 0.107 0.000 2.282 365 V HA -0.236 3.931 4.120 0.078 0.000 0.249 365 V C 2.186 178.314 176.094 0.057 0.000 1.057 365 V CA 2.065 64.413 62.300 0.080 0.000 1.032 365 V CB -0.438 31.445 31.823 0.100 0.000 0.645 365 V HN 0.557 nan 8.190 nan 0.000 0.447 366 E N -0.040 120.222 120.200 0.103 0.000 2.072 366 E HA -0.136 4.261 4.350 0.078 0.000 0.190 366 E C 2.230 178.879 176.600 0.082 0.000 0.982 366 E CA 0.927 57.417 56.400 0.149 0.000 0.803 366 E CB -0.283 29.521 29.700 0.173 0.000 0.755 366 E HN 0.527 nan 8.360 nan 0.000 0.453 367 K N 0.298 120.743 120.400 0.075 0.000 2.103 367 K HA -0.058 4.309 4.320 0.078 0.000 0.207 367 K C 2.266 178.915 176.600 0.083 0.000 1.048 367 K CA 1.357 57.690 56.287 0.076 0.000 0.930 367 K CB -0.108 32.435 32.500 0.072 0.000 0.716 367 K HN -0.033 nan 8.250 nan 0.000 0.444 368 S N 0.869 116.609 115.700 0.066 0.000 2.383 368 S HA -0.116 4.401 4.470 0.078 0.000 0.227 368 S C 1.861 176.509 174.600 0.081 0.000 1.026 368 S CA 0.961 59.203 58.200 0.070 0.000 0.981 368 S CB -0.071 63.152 63.200 0.038 0.000 0.818 368 S HN 0.253 nan 8.310 nan 0.000 0.472 369 Q N 0.741 120.537 119.800 -0.007 0.000 2.079 369 Q HA 0.018 4.404 4.340 0.078 0.000 0.200 369 Q C 2.423 178.483 176.000 0.101 0.000 0.974 369 Q CA 0.932 56.725 55.803 -0.017 0.000 0.840 369 Q CB -0.785 27.638 28.738 -0.524 0.000 0.898 369 Q HN 0.415 nan 8.270 nan 0.000 0.430 370 V N 0.306 120.263 119.914 0.072 0.000 2.407 370 V HA -0.182 3.985 4.120 0.078 0.000 0.248 370 V C 2.270 178.449 176.094 0.142 0.000 1.055 370 V CA 1.912 64.281 62.300 0.114 0.000 1.049 370 V CB -1.089 30.798 31.823 0.107 0.000 0.662 370 V HN 0.431 nan 8.190 nan 0.000 0.455 371 G N -0.888 108.031 108.800 0.197 0.000 2.408 371 G HA2 -0.291 3.715 3.960 0.078 0.000 0.217 371 G HA3 -0.291 3.715 3.960 0.078 0.000 0.217 371 G C 1.527 176.656 174.900 0.382 0.000 1.150 371 G CA 0.851 46.141 45.100 0.317 0.000 0.776 371 G HN 0.463 nan 8.290 nan 0.000 0.542 372 F N 1.613 121.646 119.950 0.139 0.000 2.134 372 F HA 0.006 4.578 4.527 0.074 0.000 0.299 372 F C 2.395 178.262 175.800 0.111 0.000 1.097 372 F CA 0.863 58.930 58.000 0.111 0.000 1.264 372 F CB -0.330 38.702 39.000 0.053 0.000 1.001 372 F HN 0.119 nan 8.300 nan 0.000 0.479 373 I N 0.016 120.591 120.570 0.008 0.000 2.202 373 I HA -0.273 3.944 4.170 0.078 0.000 0.242 373 I C 2.028 178.132 176.117 -0.022 0.000 1.091 373 I CA 1.527 62.777 61.300 -0.084 0.000 1.368 373 I CB -0.576 37.440 38.000 0.026 0.000 1.058 373 I HN 0.023 nan 8.210 nan 0.000 0.410 374 D N 0.033 120.407 120.400 -0.043 0.000 2.144 374 D HA -0.172 4.515 4.640 0.078 0.000 0.200 374 D C 1.942 178.075 176.300 -0.277 0.000 0.978 374 D CA 1.704 55.573 54.000 -0.218 0.000 0.833 374 D CB -0.156 40.402 40.800 -0.403 0.000 0.961 374 D HN 0.409 nan 8.370 nan 0.000 0.470 375 Y N -0.765 119.580 120.300 0.075 0.000 2.509 375 Y HA 0.127 4.724 4.550 0.078 0.000 0.270 375 Y C 1.906 177.869 175.900 0.105 0.000 1.103 375 Y CA 0.030 58.187 58.100 0.096 0.000 1.278 375 Y CB 0.739 39.263 38.460 0.107 0.000 1.087 375 Y HN -0.085 nan 8.280 nan 0.000 0.542 376 I N -2.412 118.249 120.570 0.151 0.000 3.650 376 I HA -0.017 4.200 4.170 0.078 0.000 0.261 376 I C 1.886 177.965 176.117 -0.062 0.000 1.154 376 I CA 0.522 61.835 61.300 0.022 0.000 1.418 376 I CB -0.857 37.095 38.000 -0.080 0.000 1.539 376 I HN -0.137 nan 8.210 nan 0.000 0.449 377 V N 1.431 121.192 119.914 -0.255 0.000 2.307 377 V HA -0.231 3.936 4.120 0.078 0.000 0.245 377 V C 2.567 178.717 176.094 0.094 0.000 1.045 377 V CA 1.946 64.144 62.300 -0.171 0.000 1.024 377 V CB -0.937 30.617 31.823 -0.447 0.000 0.651 377 V HN 0.457 nan 8.190 nan 0.000 0.449 378 H N 0.775 119.844 119.070 -0.000 0.000 2.326 378 H HA -0.070 4.533 4.556 0.079 0.000 0.301 378 H C -0.011 175.379 175.328 0.103 0.000 1.081 378 H CA 2.040 58.126 56.048 0.063 0.000 1.334 378 H CB -0.941 28.825 29.762 0.007 0.000 1.385 378 H HN 0.319 nan 8.280 nan 0.000 0.504 379 P HA -0.157 nan 4.420 nan 0.000 0.215 379 P C 1.933 179.310 177.300 0.128 0.000 1.153 379 P CA 0.920 64.130 63.100 0.183 0.000 0.853 379 P CB -0.143 31.667 31.700 0.184 0.000 0.788 380 L N -1.697 119.603 121.223 0.128 0.000 2.005 380 L HA -0.056 4.331 4.340 0.078 0.000 0.207 380 L C 2.101 178.950 176.870 -0.035 0.000 1.072 380 L CA 1.786 56.654 54.840 0.047 0.000 0.744 380 L CB -1.501 40.565 42.059 0.012 0.000 0.895 380 L HN -0.053 nan 8.230 nan 0.000 0.433 381 W N 0.335 121.610 121.300 -0.041 0.000 2.402 381 W HA -0.127 4.591 4.660 0.097 0.000 0.286 381 W C 2.668 179.155 176.519 -0.053 0.000 1.221 381 W CA 1.453 58.765 57.345 -0.054 0.000 1.257 381 W CB -0.096 29.271 29.460 -0.155 0.000 1.120 381 W HN 0.311 nan 8.180 nan 0.000 0.551 382 E N -0.409 119.818 120.200 0.046 0.000 2.110 382 E HA -0.188 4.209 4.350 0.078 0.000 0.193 382 E C 1.823 178.468 176.600 0.075 0.000 0.988 382 E CA 1.859 58.264 56.400 0.008 0.000 0.804 382 E CB -0.077 29.621 29.700 -0.003 0.000 0.745 382 E HN 0.111 nan 8.360 nan 0.000 0.458 383 T N 0.732 115.334 114.554 0.079 0.000 2.777 383 T HA -0.165 4.231 4.350 0.078 0.000 0.266 383 T C 1.249 175.988 174.700 0.065 0.000 1.040 383 T CA 1.039 63.176 62.100 0.062 0.000 1.141 383 T CB -0.458 68.442 68.868 0.053 0.000 0.868 383 T HN 0.435 nan 8.240 nan 0.000 0.444 384 W N 2.208 123.452 121.300 -0.095 0.000 2.338 384 W HA -0.141 4.566 4.660 0.079 0.000 0.304 384 W C 2.464 178.961 176.519 -0.035 0.000 1.212 384 W CA 1.306 58.577 57.345 -0.123 0.000 1.264 384 W CB -0.500 28.773 29.460 -0.313 0.000 1.142 384 W HN 0.302 nan 8.180 nan 0.000 0.512 385 A N 0.717 123.620 122.820 0.138 0.000 1.940 385 A HA -0.249 4.118 4.320 0.078 0.000 0.219 385 A C 1.661 179.238 177.584 -0.011 0.000 1.176 385 A CA 2.155 54.227 52.037 0.059 0.000 0.631 385 A CB -1.029 18.033 19.000 0.104 0.000 0.814 385 A HN 0.242 nan 8.150 nan 0.000 0.446 386 D N -0.600 119.804 120.400 0.007 0.000 2.144 386 D HA -0.101 4.586 4.640 0.078 0.000 0.200 386 D C 1.826 178.084 176.300 -0.070 0.000 0.978 386 D CA 1.071 55.080 54.000 0.015 0.000 0.833 386 D CB -0.337 40.465 40.800 0.004 0.000 0.961 386 D HN 0.363 nan 8.370 nan 0.000 0.470 387 L N 0.727 121.837 121.223 -0.188 0.000 2.046 387 L HA -0.118 4.269 4.340 0.078 0.000 0.208 387 L C 1.809 178.494 176.870 -0.308 0.000 1.077 387 L CA 1.303 55.971 54.840 -0.287 0.000 0.747 387 L CB -0.098 41.684 42.059 -0.462 0.000 0.896 387 L HN 0.045 nan 8.230 nan 0.000 0.432 388 V N -3.164 116.523 119.914 -0.378 0.000 3.177 388 V HA 0.192 4.359 4.120 0.078 0.000 0.342 388 V C 0.932 176.953 176.094 -0.121 0.000 1.379 388 V CA -0.698 61.432 62.300 -0.284 0.000 1.191 388 V CB -1.467 30.127 31.823 -0.382 0.000 1.167 388 V HN 0.360 nan 8.190 nan 0.000 0.471 389 H N 4.214 123.195 119.070 -0.148 0.000 3.140 389 H HA 0.107 4.712 4.556 0.082 0.000 0.316 389 H C -1.851 173.432 175.328 -0.074 0.000 0.986 389 H CA 0.017 56.011 56.048 -0.090 0.000 1.397 389 H CB 1.809 31.527 29.762 -0.073 0.000 1.377 389 H HN 0.366 nan 8.280 nan 0.000 0.585 390 P HA 0.118 nan 4.420 nan 0.000 0.266 390 P C 0.141 177.270 177.300 -0.285 0.000 1.561 390 P CA -0.233 62.494 63.100 -0.622 0.000 1.089 390 P CB 0.404 31.774 31.700 -0.551 0.000 1.534 391 D N 1.291 121.593 120.400 -0.164 0.000 2.178 391 D HA -0.105 4.582 4.640 0.078 0.000 0.201 391 D C 1.648 177.893 176.300 -0.093 0.000 0.980 391 D CA 1.283 55.221 54.000 -0.104 0.000 0.842 391 D CB -0.351 40.411 40.800 -0.064 0.000 0.948 391 D HN 0.237 nan 8.370 nan 0.000 0.472 392 A N 0.267 123.044 122.820 -0.072 0.000 2.307 392 A HA 0.033 4.400 4.320 0.078 0.000 0.218 392 A C 1.850 179.377 177.584 -0.095 0.000 1.228 392 A CA 0.047 52.066 52.037 -0.030 0.000 0.857 392 A CB 0.029 19.145 19.000 0.194 0.000 0.897 392 A HN -0.047 nan 8.150 nan 0.000 0.495 393 Q N 1.185 120.907 119.800 -0.130 0.000 2.096 393 Q HA -0.202 4.185 4.340 0.078 0.000 0.204 393 Q C 1.136 177.069 176.000 -0.112 0.000 0.982 393 Q CA 2.380 58.110 55.803 -0.123 0.000 0.850 393 Q CB -0.241 28.410 28.738 -0.145 0.000 0.901 393 Q HN 0.638 nan 8.270 nan 0.000 0.422 394 D N -0.543 119.781 120.400 -0.128 0.000 2.144 394 D HA -0.121 4.566 4.640 0.078 0.000 0.199 394 D C 1.905 178.103 176.300 -0.170 0.000 0.984 394 D CA 1.119 55.048 54.000 -0.119 0.000 0.834 394 D CB -0.062 40.676 40.800 -0.103 0.000 0.955 394 D HN 0.380 nan 8.370 nan 0.000 0.465 395 I N 0.370 120.762 120.570 -0.297 0.000 2.252 395 I HA -0.231 3.986 4.170 0.078 0.000 0.245 395 I C 2.343 178.263 176.117 -0.328 0.000 1.102 395 I CA 0.442 61.468 61.300 -0.457 0.000 1.385 395 I CB -0.045 37.463 38.000 -0.820 0.000 1.064 395 I HN -0.032 nan 8.210 nan 0.000 0.414 396 L N 0.659 121.752 121.223 -0.217 0.000 2.141 396 L HA -0.220 4.167 4.340 0.078 0.000 0.209 396 L C 1.920 178.751 176.870 -0.064 0.000 1.094 396 L CA 1.881 56.639 54.840 -0.137 0.000 0.763 396 L CB -0.693 41.325 42.059 -0.068 0.000 0.908 396 L HN 0.188 nan 8.230 nan 0.000 0.437 397 D N -1.454 118.912 120.400 -0.055 0.000 2.117 397 D HA -0.149 4.538 4.640 0.078 0.000 0.198 397 D C 2.057 178.358 176.300 0.001 0.000 0.982 397 D CA 1.741 55.735 54.000 -0.011 0.000 0.828 397 D CB -0.192 40.599 40.800 -0.015 0.000 0.967 397 D HN 0.301 nan 8.370 nan 0.000 0.464 398 T N 1.347 115.886 114.554 -0.026 0.000 2.777 398 T HA -0.124 4.273 4.350 0.078 0.000 0.266 398 T C 1.923 176.630 174.700 0.012 0.000 1.040 398 T CA 0.463 62.566 62.100 0.005 0.000 1.141 398 T CB -0.319 68.556 68.868 0.013 0.000 0.868 398 T HN 0.027 nan 8.240 nan 0.000 0.444 399 L N 1.538 122.729 121.223 -0.053 0.000 2.012 399 L HA -0.094 4.293 4.340 0.078 0.000 0.210 399 L C 2.229 179.148 176.870 0.082 0.000 1.073 399 L CA 1.870 56.684 54.840 -0.044 0.000 0.748 399 L CB -0.629 41.350 42.059 -0.134 0.000 0.891 399 L HN 0.267 nan 8.230 nan 0.000 0.431 400 E N -0.811 119.450 120.200 0.101 0.000 2.150 400 E HA -0.191 4.206 4.350 0.078 0.000 0.193 400 E C 1.757 178.435 176.600 0.130 0.000 0.985 400 E CA 1.080 57.558 56.400 0.131 0.000 0.814 400 E CB -0.117 29.659 29.700 0.127 0.000 0.752 400 E HN 0.552 nan 8.360 nan 0.000 0.466 401 D N 0.632 121.103 120.400 0.118 0.000 2.117 401 D HA -0.118 4.569 4.640 0.078 0.000 0.197 401 D C 1.601 178.031 176.300 0.217 0.000 0.987 401 D CA 0.824 54.907 54.000 0.137 0.000 0.829 401 D CB -0.266 40.593 40.800 0.098 0.000 0.961 401 D HN 0.074 nan 8.370 nan 0.000 0.460 402 N N 0.473 119.323 118.700 0.249 0.000 2.270 402 N HA -0.103 4.684 4.740 0.078 0.000 0.181 402 N C 1.740 177.573 175.510 0.538 0.000 1.016 402 N CA 0.359 53.663 53.050 0.424 0.000 0.870 402 N CB -0.142 38.636 38.487 0.486 0.000 0.979 402 N HN 0.148 nan 8.380 nan 0.000 0.431 403 R N 1.587 122.307 120.500 0.366 0.000 2.075 403 R HA -0.077 4.310 4.340 0.078 0.000 0.232 403 R C 1.801 178.263 176.300 0.270 0.000 1.126 403 R CA 1.160 57.447 56.100 0.311 0.000 0.963 403 R CB -0.192 30.215 30.300 0.179 0.000 0.858 403 R HN 0.375 nan 8.270 nan 0.000 0.435 404 E N -0.819 119.514 120.200 0.221 0.000 2.077 404 E HA -0.227 4.169 4.350 0.078 0.000 0.193 404 E C 1.780 178.492 176.600 0.187 0.000 0.989 404 E CA 1.457 57.956 56.400 0.166 0.000 0.800 404 E CB -0.381 29.402 29.700 0.139 0.000 0.746 404 E HN 0.445 nan 8.360 nan 0.000 0.452 405 W N 0.132 121.484 121.300 0.087 0.000 2.378 405 W HA -0.217 4.502 4.660 0.098 0.000 0.313 405 W C 1.798 178.319 176.519 0.003 0.000 1.197 405 W CA 1.741 59.097 57.345 0.019 0.000 1.304 405 W CB -0.610 28.835 29.460 -0.026 0.000 1.148 405 W HN 0.122 nan 8.180 nan 0.000 0.494 406 Y N 0.764 121.177 120.300 0.188 0.000 2.165 406 Y HA -0.331 4.262 4.550 0.072 0.000 0.286 406 Y C 2.717 178.523 175.900 -0.157 0.000 1.155 406 Y CA 2.484 60.555 58.100 -0.049 0.000 1.164 406 Y CB -1.137 37.427 38.460 0.173 0.000 0.978 406 Y HN 0.076 nan 8.280 nan 0.000 0.513 407 Q N 0.310 120.170 119.800 0.101 0.000 2.124 407 Q HA -0.170 4.217 4.340 0.078 0.000 0.202 407 Q C 2.325 178.279 176.000 -0.077 0.000 0.977 407 Q CA 2.075 57.893 55.803 0.026 0.000 0.850 407 Q CB -0.506 28.261 28.738 0.048 0.000 0.901 407 Q HN 0.439 nan 8.270 nan 0.000 0.429 408 S N -1.278 114.325 115.700 -0.163 0.000 2.447 408 S HA -0.134 4.383 4.470 0.078 0.000 0.233 408 S C 1.830 176.252 174.600 -0.295 0.000 1.006 408 S CA 1.324 59.396 58.200 -0.213 0.000 0.957 408 S CB -0.945 62.117 63.200 -0.230 0.000 0.773 408 S HN 0.588 nan 8.310 nan 0.000 0.507 409 T N -0.383 113.914 114.554 -0.429 0.000 3.118 409 T HA 0.312 4.709 4.350 0.078 0.000 0.260 409 T C 0.570 175.160 174.700 -0.182 0.000 1.139 409 T CA -0.109 61.760 62.100 -0.385 0.000 1.085 409 T CB -0.749 67.781 68.868 -0.564 0.000 0.934 409 T HN 0.468 nan 8.240 nan 0.000 0.518 410 I N 3.550 124.048 120.570 -0.119 0.000 2.304 410 I HA 0.338 4.555 4.170 0.078 0.000 0.291 410 I C -1.761 174.327 176.117 -0.049 0.000 1.018 410 I CA -2.479 58.789 61.300 -0.054 0.000 1.260 410 I CB 0.905 38.895 38.000 -0.015 0.000 1.390 410 I HN 0.093 nan 8.210 nan 0.000 0.475 411 P HA 0.000 nan 4.420 nan 0.000 0.216 411 P CA 0.000 63.081 63.100 -0.031 0.000 0.800 411 P CB 0.000 31.686 31.700 -0.024 0.000 0.726