2 116 (N_temp, Lch) 103 48.050 1 2b3gA ATOM 1001 CA ARG 1 6.211 26.575 16.508 7 GLU ATOM 1002 CA SER 2 4.890 23.210 17.779 8 GLY ATOM 1003 CA ALA 3 1.984 22.866 15.332 9 ALA ATOM 1004 CA LEU 4 3.650 19.933 13.572 10 ILE ATOM 1005 CA LYS 5 4.294 18.112 16.835 11 ALA ATOM 1006 CA LYS 6 0.703 18.860 17.918 12 ALA ATOM 1007 CA ILE 7 -0.780 17.445 14.700 13 ILE ATOM 1008 CA LEU 8 1.480 14.373 14.883 14 MET ATOM 1009 CA GLU 9 0.619 13.663 18.523 15 GLN ATOM 1010 CA ARG 10 -3.040 14.674 18.735 16 LYS ATOM 1011 CA ASP 11 -4.111 14.464 15.092 17 GLY ATOM 1012 CA ASP 12 -6.632 17.292 15.738 18 ASP ATOM 1013 CA ALA 14 -7.643 19.650 12.983 19 THR ATOM 1014 CA ALA 15 -8.970 22.574 15.096 20 ASN ATOM 1015 CA LYS 16 -5.875 24.733 14.544 21 ILE ATOM 1016 CA THR 17 -5.005 27.154 11.711 22 LYS ATOM 1017 CA LEU 18 -1.176 27.063 11.822 23 PRO ATOM 1018 CA VAL 19 1.127 29.437 9.974 24 ILE ATOM 1019 CA LEU 20 3.931 27.393 8.292 25 LEU ATOM 1020 CA CYS 21 6.678 27.901 5.757 26 GLN ATOM 1021 CA VAL 22 6.889 25.876 2.562 27 VAL ATOM 1022 CA SER 23 10.360 24.371 2.341 28 ILE ATOM 1023 CA ASP 24 9.943 22.204 -0.777 29 ASN ATOM 1024 CA ILE 25 7.113 21.066 -3.098 30 ILE ATOM 1025 CA ILE 26 7.217 18.086 -5.434 31 ARG ATOM 1026 CA SER 27 4.497 16.848 -7.798 32 PRO ATOM 1027 CA LEU 28 3.457 13.198 -7.736 33 ILE ATOM 1028 CA SER 29 -4.421 16.366 -11.600 36 PRO ATOM 1029 CA LYS 30 -0.835 16.107 -10.253 37 PRO ATOM 1030 CA VAL 31 -0.692 15.600 -6.460 38 ARG ATOM 1031 CA ASP 32 1.732 17.903 -4.727 39 TYR ATOM 1032 CA THR 33 3.679 16.706 -1.698 40 ARG ATOM 1033 CA ILE 34 5.174 19.375 0.628 41 LEU ATOM 1034 CA GLU 35 7.993 19.587 3.133 42 LEU ATOM 1035 CA LEU 36 6.729 22.252 5.512 43 MET ATOM 1036 CA THR 37 8.224 23.963 8.517 44 SER ATOM 1037 CA ASP 38 6.622 25.421 11.656 45 ASP ATOM 1038 CA GLY 39 9.993 26.939 12.629 46 GLY ATOM 1039 CA TRP 40 10.742 24.199 15.122 47 LEU ATOM 1040 CA TYR 41 10.219 21.068 13.012 48 ASN ATOM 1041 CA ALA 42 9.917 20.130 9.338 49 THR ATOM 1042 CA VAL 43 7.665 17.324 8.108 50 LEU ATOM 1043 CA LYS 44 3.996 14.100 4.904 52 SER ATOM 1044 CA ALA 45 1.925 17.181 3.853 53 PHE ATOM 1045 CA GLN 46 -0.155 16.767 0.675 54 MET ATOM 1046 CA LEU 47 -2.174 19.391 -1.208 55 LEU ATOM 1047 CA ASP 48 -5.898 18.848 -2.012 56 ALA ATOM 1048 CA PRO 49 -6.101 19.251 -5.806 57 THR ATOM 1049 CA PRO 50 -8.300 22.404 -5.659 58 GLN ATOM 1050 CA LEU 51 -5.168 24.101 -4.290 59 LEU ATOM 1051 CA LEU 52 -3.071 23.115 -7.323 60 ASN ATOM 1052 CA ALA 53 -3.726 26.546 -8.999 61 PRO ATOM 1053 CA LEU 54 -1.855 28.205 -6.096 62 LEU ATOM 1054 CA VAL 55 1.238 26.106 -6.974 63 VAL ATOM 1055 CA LYS 56 0.786 26.414 -10.710 64 GLU ATOM 1056 CA SER 57 0.423 30.233 -10.514 65 GLU ATOM 1057 CA GLY 58 3.533 30.350 -8.251 66 GLU ATOM 1058 CA ARG 59 1.699 31.806 -5.207 67 GLN ATOM 1059 CA LEU 60 2.531 28.745 -3.103 68 LEU ATOM 1060 CA THR 61 6.242 28.082 -3.589 69 SER ATOM 1061 CA VAL 62 9.385 27.227 -1.640 70 SER ATOM 1062 CA GLY 63 10.030 29.679 1.197 71 ASN ATOM 1063 CA GLN 64 6.579 31.252 1.184 72 CYS ATOM 1064 CA LYS 65 4.633 31.509 4.477 73 VAL ATOM 1065 CA ILE 66 1.029 30.407 4.465 74 CYS ATOM 1066 CA ILE 67 -1.745 29.873 6.978 75 GLN ATOM 1067 CA THR 68 -3.605 26.597 6.920 76 ILE ATOM 1068 CA GLN 69 -7.346 27.114 7.137 77 HIS ATOM 1069 CA GLY 70 -8.624 23.570 6.729 78 ARG ATOM 1070 CA ALA 71 -6.881 20.197 6.757 79 PHE ATOM 1071 CA GLU 72 -7.484 16.542 7.395 80 ILE ATOM 1072 CA LEU 73 -5.221 13.885 8.890 81 VAL ATOM 1073 CA VAL 74 -4.937 10.280 7.647 82 ASN ATOM 1074 CA GLY 75 -2.726 7.887 9.589 83 THR ATOM 1075 CA SER 76 -0.993 5.136 7.511 84 LEU ATOM 1076 CA PRO 77 -0.614 1.481 8.625 85 LYS ATOM 1077 CA ASP 78 2.950 2.198 9.624 86 ASP ATOM 1078 CA ASP 87 2.190 5.103 11.885 87 GLY ATOM 1079 CA SER 88 3.042 8.052 9.696 88 ARG ATOM 1080 CA LEU 89 0.359 10.760 9.750 89 ARG ATOM 1081 CA ARG 90 -0.356 12.397 6.437 90 VAL ATOM 1082 CA LEU 91 -1.714 15.966 6.549 91 VAL ATOM 1083 CA LYS 92 -3.852 16.912 3.552 92 ILE ATOM 1084 CA ILE 93 -4.209 20.647 3.127 93 LEU ATOM 1085 CA SER 94 -7.699 21.659 2.008 94 MET ATOM 1086 CA SER 97 -7.761 25.484 2.427 95 GLU ATOM 1087 CA THR 98 -4.843 27.833 2.832 96 LEU ATOM 1088 CA ARG 99 -3.884 31.435 2.409 97 GLU ATOM 1089 CA PRO 100 -0.410 32.618 1.297 98 VAL ATOM 1090 CA ALA 101 0.592 35.372 3.775 99 LEU ATOM 1091 CA ARG 102 4.016 36.266 2.441 100 LYS ATOM 1092 CA TRP 103 5.553 35.327 -0.944 101 SER ATOM 1093 CA HIS 104 8.783 33.354 -1.397 102 ALA ATOM 1094 CA SER 105 15.179 32.374 2.886 107 VAL ATOM 1095 CA LYS 106 14.432 29.359 5.171 108 LYS ATOM 1096 CA LEU 107 13.206 30.742 8.488 109 ILE ATOM 1097 CA GLY 108 15.282 29.572 11.427 110 GLY ATOM 1098 CA PHE 110 16.784 26.102 11.732 111 ASN ATOM 1099 CA HIS 111 13.942 23.619 11.945 112 PRO ATOM 1100 CA ASP 112 14.758 19.967 12.459 113 VAL ATOM 1101 CA PRO 113 12.896 16.980 11.077 114 PRO ATOM 1102 CA ARG 114 10.029 15.839 13.288 115 TYR ATOM 1103 CA PRO 115 11.096 12.572 14.909 116 ASN TER 102 52.700 2 5m1xA ATOM 2001 CA ARG 1 23.190 73.905 8.533 9 ARG ATOM 2002 CA SER 2 22.359 74.476 12.213 10 GLY ATOM 2003 CA ALA 3 25.088 77.104 12.665 11 ASP ATOM 2004 CA LEU 4 22.746 79.992 13.616 12 PHE ATOM 2005 CA LYS 5 21.225 77.833 16.405 13 HIS ATOM 2006 CA LYS 6 24.779 76.853 17.542 14 SER ATOM 2007 CA ILE 7 26.042 80.505 17.583 15 ILE ATOM 2008 CA LEU 8 23.327 81.506 20.097 16 PHE ATOM 2009 CA GLU 9 23.249 78.317 22.256 17 THR ATOM 2010 CA ARG 10 26.895 77.275 22.417 18 ASN ATOM 2011 CA ASP 11 29.430 79.553 24.240 19 LYS ATOM 2012 CA ASP 12 32.438 78.313 22.117 20 GLN ATOM 2013 CA THR 13 32.866 83.456 20.955 23 ASP ATOM 2014 CA ALA 14 34.135 82.470 17.447 24 ASN ATOM 2015 CA ALA 15 31.174 82.627 15.003 25 PRO ATOM 2016 CA LYS 16 33.281 82.621 11.808 26 THR ATOM 2017 CA THR 17 33.701 80.386 8.784 27 GLY ATOM 2018 CA LEU 18 29.931 79.831 8.358 28 GLY ATOM 2019 CA VAL 19 28.616 79.340 4.815 29 VAL ATOM 2020 CA LEU 20 25.173 80.975 4.354 30 TYR ATOM 2021 CA CYS 21 22.775 81.870 1.566 31 GLN ATOM 2022 CA VAL 22 21.347 85.396 1.077 32 VAL ATOM 2023 CA SER 23 17.606 85.098 1.877 33 TYR ATOM 2024 CA ASP 24 16.290 88.725 1.580 34 ASN ATOM 2025 CA ILE 25 18.002 92.122 0.767 35 THR ATOM 2026 CA ILE 26 15.046 94.591 0.912 36 ARG ATOM 2027 CA SER 27 15.945 98.181 2.067 37 LYS ATOM 2028 CA LEU 28 14.813 100.553 4.907 38 SER ATOM 2029 CA SER 29 22.210 103.538 6.022 39 SER ATOM 2030 CA LYS 30 24.929 103.405 3.307 40 ASN ATOM 2031 CA VAL 31 27.660 102.416 5.847 41 ARG ATOM 2032 CA ASP 32 25.533 99.465 7.180 42 GLU ATOM 2033 CA THR 33 23.368 96.871 5.306 43 ASN ATOM 2034 CA ILE 34 20.772 94.829 7.243 44 LEU ATOM 2035 CA GLU 35 20.041 91.614 5.331 45 ILE ATOM 2036 CA LEU 36 20.746 85.133 5.615 46 ILE ATOM 2037 CA THR 37 19.925 81.416 5.735 47 SER ATOM 2038 CA ASP 38 21.844 78.364 6.983 48 ASP ATOM 2039 CA GLY 39 19.294 75.918 5.431 49 GLY ATOM 2040 CA TRP 40 17.354 75.482 8.690 50 ILE ATOM 2041 CA TYR 41 16.950 79.009 10.030 51 TYR ATOM 2042 CA ALA 42 17.220 82.431 8.540 52 HIS ATOM 2043 CA LYS 44 19.234 89.091 10.461 53 LYS ATOM 2044 CA ALA 45 22.830 90.028 9.657 54 ALA ATOM 2045 CA GLN 46 24.166 93.566 9.871 55 LEU ATOM 2046 CA LEU 47 26.976 94.130 7.370 56 LEU ATOM 2047 CA ASP 48 29.329 96.850 8.613 57 ARG ATOM 2048 CA PRO 49 32.722 98.299 7.634 58 ASN ATOM 2049 CA PRO 50 34.342 96.324 4.718 59 GLN ATOM 2050 CA LEU 51 31.370 93.850 4.591 60 ALA ATOM 2051 CA LEU 52 29.046 96.847 3.883 61 ALA ATOM 2052 CA ALA 53 31.294 98.246 1.081 62 SER ATOM 2053 CA LEU 54 31.708 94.784 -0.463 63 LYS ATOM 2054 CA VAL 55 27.963 93.946 -0.313 64 PHE ATOM 2055 CA LYS 56 27.046 97.256 -2.069 65 GLN ATOM 2056 CA GLY 58 29.784 96.956 -4.739 66 SER ATOM 2057 CA ARG 59 25.211 93.847 -5.374 67 GLU ATOM 2058 CA LEU 60 24.635 90.574 -3.510 68 LEU ATOM 2059 CA THR 61 21.064 89.267 -3.766 69 GLN ATOM 2060 CA VAL 62 18.776 86.401 -2.756 70 ARG ATOM 2061 CA GLY 63 20.429 83.075 -3.583 71 GLY ATOM 2062 CA GLN 64 24.070 84.239 -3.395 72 ASP ATOM 2063 CA LYS 65 26.239 82.128 -1.023 73 ILE ATOM 2064 CA ILE 66 28.844 83.829 1.227 74 ILE ATOM 2065 CA ILE 67 31.392 82.733 3.836 75 ARG ATOM 2066 CA THR 68 31.454 84.958 6.953 76 VAL ATOM 2067 CA GLN 69 35.062 85.854 7.973 77 ILE ATOM 2068 CA GLY 70 34.784 88.549 10.697 78 ILE ATOM 2069 CA ALA 71 31.692 88.502 12.934 79 ALA ATOM 2070 CA GLU 72 30.296 88.766 16.428 80 GLU ATOM 2071 CA LEU 73 26.776 87.866 17.633 81 PRO ATOM 2072 CA VAL 74 24.387 90.314 19.241 82 ALA ATOM 2073 CA GLY 75 21.565 89.469 21.668 83 ILE ATOM 2074 CA SER 76 19.057 92.278 22.200 84 VAL ATOM 2075 CA PRO 77 17.677 90.890 25.513 85 ARG ATOM 2076 CA ASP 78 15.016 93.633 25.968 86 GLU ATOM 2077 CA PRO 86 13.418 92.872 22.528 87 ARG ATOM 2078 CA ASP 87 14.324 89.114 22.193 88 LYS ATOM 2079 CA SER 88 16.169 89.982 18.928 89 LYS ATOM 2080 CA LEU 89 19.226 88.223 17.517 90 TYR ATOM 2081 CA ARG 90 21.633 89.725 14.975 91 VAL ATOM 2082 CA LEU 91 24.921 88.547 13.464 92 LEU ATOM 2083 CA LYS 92 27.263 91.578 13.185 93 LEU ATOM 2084 CA ILE 93 29.362 90.984 9.995 94 VAL ATOM 2085 CA ALA 95 32.539 93.003 9.331 95 ASP ATOM 2086 CA ASN 96 33.885 90.812 6.465 96 ASP ATOM 2087 CA SER 97 32.854 87.962 4.191 97 PHE ATOM 2088 CA THR 98 33.841 86.210 0.919 98 GLU ATOM 2089 CA ARG 99 31.691 85.288 -2.074 99 LEU ATOM 2090 CA PRO 100 31.367 81.509 -2.504 100 VAL ATOM 2091 CA ALA 101 28.797 81.355 -5.330 101 GLN ATOM 2092 CA ARG 102 26.528 83.923 -6.994 102 SER ATOM 2093 CA TRP 103 22.956 82.891 -8.020 103 ARG ATOM 2094 CA HIS 104 23.169 79.416 -6.424 104 ALA ATOM 2095 CA SER 105 20.160 77.007 -6.378 105 ASP ATOM 2096 CA LYS 106 14.984 75.026 -3.849 106 VAL ATOM 2097 CA LEU 107 12.714 73.056 -1.443 107 ASN ATOM 2098 CA GLY 108 12.944 76.050 1.000 108 GLN ATOM 2099 CA PHE 109 11.878 75.264 4.602 109 THR ATOM 2100 CA PHE 110 13.969 77.699 6.707 110 SER ATOM 2101 CA HIS 111 12.134 79.519 9.530 111 THR ATOM 2102 CA ASP 112 13.108 82.766 11.410 112 PHE TER