2 120 (N_temp, Lch) 118 269.500 1 2hujA ATOM 1001 CA LEU 1 20.867 80.557 8.230 3 PHE ATOM 1002 CA SER 2 21.008 77.528 5.920 4 GLN ATOM 1003 CA GLN 3 24.786 77.430 6.165 5 GLY ATOM 1004 CA THR 4 22.243 75.252 10.425 6 GLU ATOM 1005 CA LEU 5 24.252 72.900 8.210 7 LEU ATOM 1006 CA LEU 6 27.434 73.650 10.222 8 LEU ATOM 1007 CA GLU 7 25.619 72.852 13.480 9 ILE ATOM 1008 CA THR 8 24.270 69.579 12.049 10 ARG ATOM 1009 CA GLU 9 26.421 67.101 15.726 13 GLN ATOM 1010 CA GLN 10 27.111 64.289 13.244 14 LEU ATOM 1011 CA ILE 11 30.875 64.478 13.947 15 LEU ATOM 1012 CA GLU 12 30.063 64.131 17.625 16 LEU ATOM 1013 CA VAL 13 27.924 61.065 16.942 17 GLN ATOM 1014 CA ALA 14 30.788 59.546 14.975 18 ASN ATOM 1015 CA GLU 15 33.050 60.125 18.015 19 GLU ATOM 1016 CA LYS 16 30.456 58.549 20.333 20 LYS ATOM 1017 CA GLY 17 30.448 55.412 18.150 21 ASN ATOM 1018 CA ALA 18 34.219 55.143 18.283 22 TRP ATOM 1019 CA ASP 19 34.460 55.711 22.029 23 GLU ATOM 1020 CA ARG 20 31.700 53.176 22.769 24 LEU ATOM 1021 CA TYR 21 33.472 50.639 20.547 25 TYR ATOM 1022 CA GLN 22 36.842 51.208 22.196 26 LEU ATOM 1023 CA GLU 23 35.276 50.856 25.629 27 SER ATOM 1024 CA GLY 24 33.656 47.532 24.721 28 ASN ATOM 1025 CA LYS 25 36.887 46.395 23.130 29 ARG ATOM 1026 CA ASN 26 38.567 46.961 26.533 30 GLU ATOM 1027 CA SER 27 35.765 45.273 28.454 31 GLU ATOM 1028 CA ASN 28 32.633 44.007 26.721 32 GLU ATOM 1029 CA HIS 29 29.494 45.289 28.424 33 LYS ATOM 1030 CA SER 30 26.167 43.484 28.134 34 PRO ATOM 1031 CA TYR 31 23.394 45.480 26.504 35 PHE ATOM 1032 CA ASP 32 19.667 45.362 25.899 36 ASP ATOM 1033 CA PHE 33 18.367 45.871 22.334 37 PHE ATOM 1034 CA PHE 34 15.478 48.151 23.440 38 TYR ATOM 1035 CA GLU 35 17.048 49.893 26.450 39 LYS ATOM 1036 CA THR 36 20.500 50.480 24.946 40 ASP ATOM 1037 CA LYS 38 17.834 50.991 19.583 41 LYS ATOM 1038 CA PRO 39 17.888 54.435 21.246 42 PRO ATOM 1039 CA ALA 40 21.588 54.850 20.411 43 PHE ATOM 1040 CA VAL 41 21.128 53.791 16.788 44 VAL ATOM 1041 CA GLU 42 17.965 55.922 16.482 45 ASP ATOM 1042 CA GLU 43 19.804 59.053 17.697 46 GLU ATOM 1043 CA ASN 44 22.616 58.330 15.185 47 ALA ATOM 1044 CA ASP 45 20.003 58.010 12.402 48 LYS ATOM 1045 CA GLU 46 18.368 61.321 13.485 49 ARG ATOM 1046 CA LEU 47 21.794 63.001 13.294 50 CYS ATOM 1047 CA ALA 48 22.460 61.563 9.827 51 ALA ATOM 1048 CA ALA 49 19.035 62.369 8.398 52 ASP ATOM 1049 CA ARG 50 19.105 65.927 9.816 53 ASP ATOM 1050 CA TRP 51 22.515 66.450 8.225 54 PHE ATOM 1051 CA ALA 52 21.518 65.081 4.825 55 LEU ATOM 1052 CA GLU 53 18.303 67.149 4.741 56 GLU ATOM 1053 CA GLY 54 20.476 70.266 4.376 57 LEU ATOM 1054 CA ALA 55 23.729 68.799 3.056 58 ALA ATOM 1055 CA LEU 56 22.346 67.291 -0.156 59 ILE ATOM 1056 CA GLU 57 20.688 70.521 -1.410 60 PRO ATOM 1057 CA LEU 58 23.844 72.378 -0.329 61 TRP ATOM 1058 CA ILE 59 26.286 70.066 -2.094 62 VAL ATOM 1059 CA LYS 60 24.333 70.184 -5.353 63 ASN ATOM 1060 CA VAL 61 23.817 73.968 -5.330 64 THR ATOM 1061 CA ARG 62 27.090 75.284 -3.873 65 GLU ATOM 1062 CA ARG 63 29.253 72.618 -5.547 66 ARG ATOM 1063 CA PRO 64 31.983 72.674 -2.926 67 PRO ATOM 1064 CA LYS 65 35.341 71.518 -4.218 68 PRO ATOM 1065 CA TYR 66 35.858 67.768 -4.704 69 TYR ATOM 1066 CA VAL 67 32.614 66.835 -2.922 70 LEU ATOM 1067 CA HIS 68 29.309 65.366 -3.991 71 GLY ATOM 1068 CA LYS 69 26.187 63.548 -2.909 72 GLU ATOM 1069 CA GLU 70 27.433 59.937 -2.814 73 LEU ATOM 1070 CA GLN 71 30.423 60.857 -0.644 74 GLN ATOM 1071 CA ILE 72 28.145 62.507 1.889 75 LEU ATOM 1072 CA GLU 73 25.664 59.628 1.860 76 ARG ATOM 1073 CA ALA 74 28.467 57.116 2.422 77 GLN ATOM 1074 CA VAL 75 29.822 59.187 5.324 78 ALA ATOM 1075 CA LYS 76 26.325 58.910 6.867 79 CYS ATOM 1076 CA ASP 77 25.968 55.185 6.116 80 ASP ATOM 1077 CA ASN 78 29.222 54.686 8.030 81 ASN ATOM 1078 CA PHE 79 27.816 56.371 11.117 82 VAL ATOM 1079 CA LEU 80 24.830 54.017 11.164 83 GLN ATOM 1080 CA LEU 82 29.486 51.873 13.367 84 THR ATOM 1081 CA VAL 83 26.653 52.774 15.767 85 ALA ATOM 1082 CA LEU 84 25.434 49.183 15.570 86 VAL ATOM 1083 CA GLN 85 28.969 47.647 15.618 87 SER ATOM 1084 CA SER 86 30.031 49.769 18.611 88 ALA ATOM 1085 CA TYR 87 28.096 47.426 20.957 89 PHE ATOM 1086 CA VAL 88 30.433 44.592 19.967 90 ASN ATOM 1087 CA HIS 89 34.032 45.076 21.050 91 GLY ATOM 1088 CA HIS 90 35.060 42.155 18.844 92 ARG ATOM 1089 CA ILE 91 34.015 44.040 15.708 93 SER ATOM 1090 CA HIS 92 36.971 43.929 13.328 94 PHE ATOM 1091 CA LYS 93 39.243 46.788 14.378 95 TYR ATOM 1092 CA LYS 94 40.712 48.009 11.053 96 LYS ATOM 1093 CA ARG 95 37.293 48.000 9.357 97 HIS ATOM 1094 CA PHE 96 35.822 50.037 12.237 98 PHE ATOM 1095 CA LYS 97 38.768 52.447 12.295 99 LEU ATOM 1096 CA ASP 98 38.526 52.948 8.519 100 ASP ATOM 1097 CA ILE 99 34.795 53.728 8.758 101 HIS ATOM 1098 CA THR 100 35.264 56.047 11.712 102 TYR ATOM 1099 CA GLU 101 38.118 57.937 10.026 103 GLN ATOM 1100 CA SER 102 36.455 58.179 6.608 104 SER ATOM 1101 CA VAL 103 33.450 59.921 8.166 105 THR ATOM 1102 CA LEU 104 35.619 62.132 10.284 106 LYS ATOM 1103 CA TYR 105 37.616 63.217 7.204 107 TYR ATOM 1104 CA THR 106 34.595 64.006 5.063 108 THR ATOM 1105 CA LEU 107 32.641 65.856 7.756 109 LEU ATOM 1106 CA HIS 108 35.631 67.817 9.044 110 THR ATOM 1107 CA ALA 109 36.195 68.989 5.442 111 ARG ATOM 1108 CA VAL 110 32.558 70.209 5.374 112 VAL ATOM 1109 CA LYS 111 32.836 71.828 8.805 113 ARG ATOM 1110 CA ASP 112 36.086 73.591 8.016 114 ASP ATOM 1111 CA GLU 113 34.743 74.852 4.661 115 PHE ATOM 1112 CA ILE 114 31.602 76.256 6.312 116 LEU ATOM 1113 CA ALA 115 33.504 77.866 9.198 117 LYS ATOM 1114 CA ARG 116 35.708 79.602 6.604 118 ARG ATOM 1115 CA GLU 117 32.641 80.789 4.678 119 LYS ATOM 1116 CA ASP 118 31.158 81.965 8.003 120 GLU ATOM 1117 CA SER 119 34.287 83.875 8.965 121 GLU ATOM 1118 CA ARG 120 34.433 85.862 5.687 122 SER TER 105 263.480 2 2etsA ATOM 2001 CA LEU 6 26.542 44.482 37.073 6 ASN ATOM 2002 CA GLU 7 28.371 47.818 37.164 7 ASP ATOM 2003 CA THR 8 27.936 48.293 33.424 8 LEU ATOM 2004 CA GLU 9 25.787 52.510 34.855 11 SER ATOM 2005 CA GLN 10 23.261 52.494 32.006 12 LEU ATOM 2006 CA ILE 11 20.375 52.613 34.485 13 ILE ATOM 2007 CA GLU 12 21.838 55.753 36.071 14 TYR ATOM 2008 CA VAL 13 22.452 57.220 32.604 15 GLU ATOM 2009 CA ALA 14 18.891 56.541 31.325 16 VAL ATOM 2010 CA GLU 15 17.610 58.386 34.451 17 ASN ATOM 2011 CA LYS 16 19.889 61.242 33.619 18 ASN ATOM 2012 CA ALA 18 14.977 61.707 31.622 19 GLN ATOM 2013 CA ASP 19 16.162 64.764 33.581 20 GLN ATOM 2014 CA ARG 20 17.795 66.244 30.464 21 ASN ATOM 2015 CA TYR 21 14.589 65.849 28.511 22 PHE ATOM 2016 CA GLN 22 12.705 67.580 31.350 23 GLU ATOM 2017 CA GLU 23 15.206 70.406 31.267 24 ASN ATOM 2018 CA GLY 24 15.008 71.075 27.481 25 VAL ATOM 2019 CA LYS 25 11.211 70.863 27.718 26 LYS ATOM 2020 CA ASN 26 10.767 73.361 30.623 27 SER ATOM 2021 CA SER 27 13.416 75.661 29.235 28 GLN ATOM 2022 CA ASN 28 12.256 75.318 25.633 29 GLN ATOM 2023 CA HIS 29 15.874 75.368 24.496 30 GLN ATOM 2024 CA SER 30 17.895 72.651 22.690 31 ASP ATOM 2025 CA TYR 31 21.288 71.822 24.271 32 HIS ATOM 2026 CA ASP 32 24.336 72.838 22.250 33 ASP ATOM 2027 CA PHE 33 25.292 70.154 19.791 34 PHE ATOM 2028 CA PHE 34 29.117 70.311 20.111 35 TYR ATOM 2029 CA GLU 35 29.432 71.345 23.758 36 GLN ATOM 2030 CA THR 36 26.739 69.040 25.176 37 THR ATOM 2031 CA ILE 37 25.138 66.501 22.782 38 VAL ATOM 2032 CA LYS 38 28.211 65.111 21.011 39 LYS ATOM 2033 CA PRO 39 30.263 64.560 24.177 40 PRO ATOM 2034 CA ALA 40 27.294 63.011 25.955 41 TYR ATOM 2035 CA VAL 41 26.363 60.567 23.173 42 THR ATOM 2036 CA GLU 42 30.017 59.631 22.763 43 GLU ATOM 2037 CA GLU 43 30.226 58.842 26.510 44 HIS ATOM 2038 CA ASN 44 27.098 56.689 26.117 45 ILE ATOM 2039 CA ASP 45 28.689 54.964 23.074 46 ASP ATOM 2040 CA GLU 46 31.722 54.125 25.278 47 SER ATOM 2041 CA LEU 47 29.514 52.348 27.802 48 ILE ATOM 2042 CA ALA 48 27.567 50.551 25.078 49 LEU ATOM 2043 CA ALA 49 30.765 49.416 23.395 50 ASN ATOM 2044 CA ARG 50 31.789 47.748 26.631 51 GLU ATOM 2045 CA TRP 51 28.407 46.094 27.168 52 ILE ATOM 2046 CA ALA 52 28.553 44.760 23.552 53 LYS ATOM 2047 CA GLU 53 31.684 42.869 24.567 54 LEU ATOM 2048 CA GLY 54 29.337 40.852 26.865 55 HIS ATOM 2049 CA ALA 55 26.688 40.201 24.163 56 ARG ATOM 2050 CA LEU 56 26.964 36.367 24.348 57 GLU ATOM 2051 CA GLU 57 26.199 36.305 28.104 58 PHE ATOM 2052 CA LEU 58 23.507 38.977 28.133 59 ILE ATOM 2053 CA ILE 59 21.427 37.445 25.264 60 ILE ATOM 2054 CA LYS 60 21.028 34.272 27.323 61 GLU ATOM 2055 CA PRO 64 19.550 35.878 30.465 62 VAL ATOM 2056 CA LYS 65 15.784 35.431 30.978 63 PRO ATOM 2057 CA TYR 66 13.694 37.884 28.874 64 TYR ATOM 2058 CA HIS 68 17.575 37.387 23.010 65 ASN ATOM 2059 CA LYS 69 19.813 38.670 20.166 66 SER ATOM 2060 CA GLU 70 17.138 40.887 18.546 67 ARG ATOM 2061 CA GLN 71 15.986 42.394 21.888 68 LYS ATOM 2062 CA ILE 72 19.615 43.150 22.777 69 PHE ATOM 2063 CA GLU 73 20.088 45.083 19.500 70 GLU ATOM 2064 CA ALA 74 16.898 47.083 19.998 71 LEU ATOM 2065 CA VAL 75 17.867 47.916 23.529 72 LEU ATOM 2066 CA LYS 76 21.206 49.358 22.346 73 ILE ATOM 2067 CA ASP 77 19.545 51.397 19.605 74 ALA ATOM 2068 CA ASN 78 16.831 52.626 21.977 75 ASN ATOM 2069 CA PHE 79 19.465 53.824 24.451 76 ILE ATOM 2070 CA LEU 80 21.473 55.579 21.700 77 GLU ATOM 2071 CA GLU 81 18.347 57.249 20.442 78 GLN ATOM 2072 CA LEU 82 17.346 58.456 23.917 79 LEU ATOM 2073 CA VAL 83 20.871 59.709 24.513 80 SER ATOM 2074 CA LEU 84 20.308 62.098 21.550 81 VAL ATOM 2075 CA GLN 85 16.585 62.816 21.825 82 GLU ATOM 2076 CA SER 86 16.800 64.005 25.408 83 CYS ATOM 2077 CA TYR 87 18.623 67.134 24.237 84 HIS ATOM 2078 CA VAL 88 15.892 68.345 21.846 85 PHE ATOM 2079 CA HIS 89 12.894 70.461 22.887 86 LYS ATOM 2080 CA HIS 90 10.961 69.175 19.920 87 ARG ATOM 2081 CA ILE 91 11.279 65.546 21.084 88 THR ATOM 2082 CA HIS 92 7.799 64.023 21.630 89 SER ATOM 2083 CA LYS 93 7.040 63.369 25.309 90 ARG ATOM 2084 CA LYS 94 4.714 60.536 24.372 91 LYS ATOM 2085 CA ARG 95 7.326 58.636 22.308 92 LEU ATOM 2086 CA PHE 96 10.350 59.514 24.487 93 PHE ATOM 2087 CA LYS 97 8.753 58.371 27.729 94 ILE ATOM 2088 CA ASP 98 7.394 55.191 26.224 95 GLU ATOM 2089 CA ILE 99 10.825 54.283 24.864 96 LYS ATOM 2090 CA THR 100 12.504 55.202 28.201 97 LEU ATOM 2091 CA GLU 101 10.084 52.959 30.140 98 LYS ATOM 2092 CA SER 102 10.797 50.105 27.775 99 SER ATOM 2093 CA VAL 103 14.569 50.594 28.204 100 VAL ATOM 2094 CA LEU 104 14.341 50.743 32.043 101 GLN ATOM 2095 CA TYR 105 12.206 47.614 31.833 102 TYR ATOM 2096 CA THR 106 14.828 45.690 29.825 103 ASP ATOM 2097 CA LEU 107 17.683 47.012 31.949 104 LEU ATOM 2098 CA HIS 108 16.038 45.729 35.122 105 GLN ATOM 2099 CA ALA 109 15.602 42.256 33.640 106 ASN ATOM 2100 CA VAL 110 19.225 42.230 32.633 107 ILE ATOM 2101 CA LYS 111 20.304 43.468 36.050 108 LEU ATOM 2102 CA ASP 112 18.280 40.616 37.627 109 ASP ATOM 2103 CA GLU 113 19.802 38.145 35.154 110 GLY ATOM 2104 CA ILE 114 23.436 39.176 35.795 111 VAL ATOM 2105 CA ALA 115 23.194 38.859 39.542 112 THR TER