3 103 (N_temp, Lch) 100 117.950 1 1fr0A ATOM 1001 CA GLY 1 -10.277 0.773 3.355 10 ALA ATOM 1002 CA ALA 2 -7.484 0.490 0.756 11 LEU ATOM 1003 CA VAL 3 -5.202 3.189 2.199 12 LEU ATOM 1004 CA ASP 4 -4.844 5.338 5.340 13 ASP ATOM 1005 CA PHE 5 -6.625 8.688 4.864 14 ILE ATOM 1006 CA ALA 6 -5.236 10.285 8.040 15 PRO ATOM 1007 CA TYR 7 -1.738 8.767 7.828 16 MET ATOM 1008 CA LEU 8 -1.515 9.986 4.212 17 LEU ATOM 1009 CA GLU 9 -2.902 13.440 5.079 18 GLU ATOM 1010 CA GLY 10 -0.372 13.837 7.913 19 GLN ATOM 1011 CA PHE 11 2.584 12.522 5.879 20 TYR ATOM 1012 CA ALA 12 1.792 15.308 3.388 21 LEU ATOM 1013 CA ALA 13 1.684 17.816 6.268 22 GLU ATOM 1014 CA GLY 14 7.307 16.037 3.899 24 VAL ATOM 1015 CA ASP 15 4.472 16.429 1.368 25 GLY ATOM 1016 CA PHE 16 4.264 14.374 -1.822 26 PRO ATOM 1017 CA ALA 17 8.073 14.062 -1.694 27 LYS ATOM 1018 CA VAL 18 8.118 11.177 0.816 28 LEU ATOM 1019 CA VAL 19 4.901 9.557 -0.467 29 ILE ATOM 1020 CA ASP 20 6.046 9.828 -4.109 30 THR ATOM 1021 CA GLU 21 9.642 8.804 -3.307 31 ASP ATOM 1022 CA VAL 22 8.973 5.866 -0.959 32 GLY ATOM 1023 CA LEU 23 6.107 4.638 -3.170 33 LEU ATOM 1024 CA ALA 24 8.323 5.038 -6.258 34 ALA ATOM 1025 CA LEU 25 10.879 2.459 -5.065 35 VAL ATOM 1026 CA PHE 26 7.928 0.239 -4.086 36 PHE ATOM 1027 CA ARG 27 6.109 0.344 -7.446 37 GLU ATOM 1028 CA GLU 28 9.513 -0.644 -8.872 38 LYS ATOM 1029 CA GLN 29 10.068 -3.796 -6.765 39 MET ATOM 1030 CA ALA 30 6.335 -4.545 -6.380 40 MET ATOM 1031 CA ALA 31 6.042 -6.761 -9.468 41 PRO ATOM 1032 CA LEU 32 9.493 -8.262 -8.826 42 GLY ATOM 1033 CA TRP 33 8.483 -9.065 -5.233 43 TYR ATOM 1034 CA ALA 34 5.321 -11.033 -6.092 44 VAL ATOM 1035 CA PRO 35 7.387 -12.827 -8.756 45 SER ATOM 1036 CA LEU 36 6.633 -14.827 -3.834 47 LEU ATOM 1037 CA ASP 37 5.139 -17.368 -6.262 48 GLU ATOM 1038 CA PRO 38 8.663 -18.606 -7.071 49 SER ATOM 1039 CA THR 39 9.172 -19.671 -3.440 50 ASN ATOM 1040 CA HIS 40 6.846 -20.720 3.855 56 LYS ATOM 1041 CA PRO 41 9.155 -19.091 6.435 57 LYS ATOM 1042 CA GLY 42 10.757 -17.130 3.572 58 GLY ATOM 1043 CA TRP 43 7.387 -16.023 2.142 59 ILE ATOM 1044 CA LYS 44 6.050 -14.987 5.576 60 VAL ATOM 1045 CA ASP 45 9.089 -12.724 6.119 61 GLU ATOM 1046 CA ALA 46 8.702 -11.133 2.671 62 GLU ATOM 1047 CA VAL 47 5.005 -10.778 3.572 63 GLY ATOM 1048 CA HIS 48 5.111 -8.354 6.525 64 HIS ATOM 1049 CA THR 49 8.337 -6.943 5.036 65 LYS ATOM 1050 CA VAL 50 6.879 -5.814 1.688 66 ILE ATOM 1051 CA LYS 51 3.201 -5.264 2.593 67 LYS ATOM 1052 CA GLY 52 4.526 -3.355 5.625 68 GLY ATOM 1053 CA ALA 53 6.722 -1.013 3.552 69 ALA ATOM 1054 CA ALA 54 3.904 -0.140 1.115 70 ALA ATOM 1055 CA ARG 55 1.577 0.436 4.093 71 GLY ATOM 1056 CA GLY 56 3.922 3.281 5.075 72 SER ATOM 1057 CA VAL 57 2.977 5.116 1.863 73 VAL ATOM 1058 CA GLY 58 -0.692 4.686 2.849 74 GLY ATOM 1059 CA ALA 59 -1.067 1.141 1.457 75 LEU ATOM 1060 CA PHE 60 -3.010 -0.432 4.356 76 ARG ATOM 1061 CA ASN 61 -4.700 -2.947 2.022 77 HIS ATOM 1062 CA LEU 62 -1.384 -4.757 1.457 78 LEU ATOM 1063 CA GLY 63 -0.085 -4.120 4.994 79 GLN ATOM 1064 CA GLU 64 -3.033 -6.268 6.126 80 GLN ATOM 1065 CA VAL 65 -2.695 -9.070 3.547 81 LEU ATOM 1066 CA CYS 66 0.797 -9.751 4.937 82 GLY ATOM 1067 CA GLU 67 -0.242 -9.173 8.569 83 GLN ATOM 1068 CA ARG 68 -2.369 -12.295 7.999 84 GLN ATOM 1069 CA CYS 69 0.165 -14.184 5.844 85 ILE ATOM 1070 CA GLU 70 2.260 -14.279 9.044 86 GLN ATOM 1071 CA ALA 71 -0.031 -17.063 10.336 87 SER ATOM 1072 CA GLY 72 0.658 -19.921 7.920 88 PRO ATOM 1073 CA GLN 73 -0.863 -22.324 10.461 89 ASP ATOM 1074 CA GLU 74 -4.653 -21.794 10.250 90 LEU ATOM 1075 CA SER 75 -4.557 -14.362 -0.936 100 TRP ATOM 1076 CA LEU 76 -1.567 -14.021 -3.293 101 ILE ATOM 1077 CA GLU 77 -3.849 -13.767 -6.354 102 GLU ATOM 1078 CA GLY 78 -6.004 -10.979 -4.862 103 GLU ATOM 1079 CA VAL 79 -2.935 -9.152 -3.491 104 MET ATOM 1080 CA ARG 80 -1.426 -8.818 -6.986 105 LYS ATOM 1081 CA THR 81 -4.680 -7.816 -8.731 106 GLU ATOM 1082 CA ALA 82 -5.543 -5.232 -6.045 107 GLU ATOM 1083 CA LEU 83 -2.394 -3.731 -4.485 108 TRP ATOM 1084 CA ASP 84 -1.834 -1.424 -7.492 109 ARG ATOM 1085 CA ALA 85 -5.384 -0.037 -7.197 110 HIS ATOM 1086 CA ALA 86 -4.776 0.862 -3.530 111 ASP ATOM 1087 CA LEU 87 -1.652 2.780 -4.623 112 VAL ATOM 1088 CA LEU 88 -3.045 4.781 -7.567 113 GLU ATOM 1089 CA ASP 89 -5.806 5.685 -5.080 114 VAL ATOM 1090 CA ILE 90 -3.659 7.126 -2.267 115 LEU ATOM 1091 CA ALA 91 -1.814 8.978 -5.056 116 LYS ATOM 1092 CA ALA 92 -4.862 10.807 -6.463 117 ALA ATOM 1093 CA TYR 93 -5.839 11.650 -2.868 118 TRP ATOM 1094 CA ALA 94 -2.587 13.573 -2.282 119 VAL ATOM 1095 CA HIS 95 -3.030 15.417 -5.604 120 ALA ATOM 1096 CA GLU 96 -6.588 16.235 -4.455 121 LYS ATOM 1097 CA GLN 97 -6.340 16.792 -0.680 122 ALA ATOM 1098 CA ALA 98 -3.721 19.474 -1.440 123 THR ATOM 1099 CA LEU 99 -6.555 22.038 -1.311 124 LYS ATOM 1100 CA ARG 100 -10.093 22.026 0.144 125 LYS TER 83 78.870 2 1tqgA ATOM 2001 CA ALA 17 4.055 56.131 20.792 1 GLY ATOM 2002 CA VAL 18 6.373 57.284 23.556 2 SER ATOM 2003 CA VAL 19 9.434 55.951 25.256 3 HIS ATOM 2004 CA ASP 20 7.556 55.409 28.490 4 MET ATOM 2005 CA GLU 21 4.948 53.408 26.621 5 GLU ATOM 2006 CA VAL 22 7.630 51.203 25.099 6 TYR ATOM 2007 CA LEU 23 9.301 50.780 28.472 7 LEU ATOM 2008 CA ALA 24 6.021 49.291 29.633 8 GLY ATOM 2009 CA LEU 25 6.049 46.907 26.684 9 VAL ATOM 2010 CA PHE 26 9.676 46.010 27.389 10 PHE ATOM 2011 CA ARG 27 8.918 45.213 31.053 11 VAL ATOM 2012 CA GLU 28 5.855 43.118 30.109 12 ASP ATOM 2013 CA GLN 29 7.806 41.135 27.536 13 GLU ATOM 2014 CA ALA 30 10.808 40.652 29.825 14 THR ATOM 2015 CA ALA 31 8.523 39.315 32.569 15 LYS ATOM 2016 CA LEU 32 7.243 36.632 30.227 16 GLU ATOM 2017 CA TRP 33 10.795 35.430 29.609 17 TYR ATOM 2018 CA ALA 34 11.704 35.591 33.292 18 LEU ATOM 2019 CA PRO 35 8.642 33.395 34.039 19 GLN ATOM 2020 CA LEU 36 13.180 30.801 32.888 21 LEU ATOM 2021 CA ASP 37 12.471 30.876 36.493 22 ASN ATOM 2022 CA PRO 38 10.220 27.930 35.735 23 ASP ATOM 2023 CA THR 39 12.904 26.202 33.597 24 THR ATOM 2024 CA HIS 40 19.401 23.662 29.175 38 ILE ATOM 2025 CA PRO 41 18.685 24.909 25.688 39 ASN ATOM 2026 CA GLY 42 15.368 26.443 26.811 40 GLU ATOM 2027 CA TRP 43 17.103 28.415 29.462 41 ALA ATOM 2028 CA LYS 44 19.829 29.504 27.089 42 PHE ATOM 2029 CA ASP 45 17.242 30.722 24.567 43 ARG ATOM 2030 CA ALA 46 15.332 32.807 27.116 44 ALA ATOM 2031 CA VAL 47 18.527 34.446 28.392 45 LEU ATOM 2032 CA HIS 48 19.672 35.135 24.849 46 HIS ATOM 2033 CA THR 49 16.314 36.775 24.037 47 THR ATOM 2034 CA VAL 50 16.590 38.957 27.193 48 LEU ATOM 2035 CA LYS 51 20.110 39.990 26.227 49 LYS ATOM 2036 CA GLY 52 18.938 41.060 22.821 50 GLY ATOM 2037 CA ALA 53 15.967 43.007 24.198 51 MET ATOM 2038 CA ALA 54 18.207 44.839 26.614 52 ALA ATOM 2039 CA ARG 55 20.576 45.673 23.768 53 GLY ATOM 2040 CA GLY 56 17.862 47.298 21.638 54 THR ATOM 2041 CA VAL 57 16.984 49.549 24.633 55 MET ATOM 2042 CA GLY 58 20.664 50.317 25.354 56 GLY ATOM 2043 CA ALA 59 20.403 48.801 28.836 57 PHE ATOM 2044 CA PHE 60 24.081 47.985 29.178 58 SER ATOM 2045 CA ASN 61 24.153 46.484 32.641 59 SER ATOM 2046 CA LEU 62 21.154 44.263 31.993 60 MET ATOM 2047 CA GLY 63 22.640 43.121 28.642 61 ALA ATOM 2048 CA GLU 64 25.990 42.296 30.206 62 LYS ATOM 2049 CA VAL 65 24.344 40.375 33.063 63 LEU ATOM 2050 CA CYS 66 22.215 38.415 30.598 64 CYS ATOM 2051 CA GLU 67 25.355 37.730 28.610 65 HIS ATOM 2052 CA ARG 68 27.254 36.419 31.669 66 THR ATOM 2053 CA CYS 69 24.313 34.150 32.458 67 LEU ATOM 2054 CA GLU 70 23.817 33.007 28.867 68 GLU ATOM 2055 CA ALA 71 27.525 32.074 28.842 69 ASN ATOM 2056 CA GLY 72 26.943 29.656 31.778 70 ILE ATOM 2057 CA GLN 73 24.076 27.976 29.922 71 LEU ATOM 2058 CA GLU 74 27.636 20.392 34.389 80 LYS ATOM 2059 CA SER 75 24.523 21.877 35.961 81 ILE ATOM 2060 CA LEU 76 25.175 21.497 39.655 82 THR ATOM 2061 CA GLU 77 23.229 22.812 42.612 83 SER ATOM 2062 CA GLY 78 25.781 25.551 43.001 84 ASP ATOM 2063 CA VAL 79 25.439 26.475 39.329 85 LEU ATOM 2064 CA ARG 80 21.732 26.566 39.594 86 LEU ATOM 2065 CA THR 81 22.021 28.939 42.524 87 ASP ATOM 2066 CA ALA 82 24.098 31.221 40.301 88 LYS ATOM 2067 CA LEU 83 21.626 31.085 37.431 89 ILE ATOM 2068 CA ASP 84 18.621 31.687 39.656 90 PHE ATOM 2069 CA ALA 85 20.452 34.602 41.275 91 ALA ATOM 2070 CA ALA 86 20.886 36.206 37.863 92 GLY ATOM 2071 CA LEU 87 17.178 35.584 36.951 93 VAL ATOM 2072 CA LEU 88 16.234 37.259 40.231 94 ASP ATOM 2073 CA ASP 89 18.548 40.222 39.593 95 MET ATOM 2074 CA ILE 90 17.050 40.760 36.106 96 ILE ATOM 2075 CA ALA 91 13.656 40.632 37.699 97 THR ATOM 2076 CA ALA 92 14.743 43.392 40.068 98 ARG ATOM 2077 CA TYR 93 16.148 45.443 37.183 99 MET ATOM 2078 CA ALA 94 12.933 45.112 35.187 100 VAL ATOM 2079 CA HIS 95 10.770 45.995 38.172 101 ASP ATOM 2080 CA GLU 96 12.936 49.126 38.743 102 LYS ATOM 2081 CA GLN 97 11.977 50.496 35.270 103 ILE ATOM 2082 CA ALA 98 8.331 50.761 36.327 104 VAL ATOM 2083 CA LEU 99 9.144 51.620 39.927 105 SER TER 95 105.140 3 3iqtA ATOM 3001 CA GLY 1 4.861 22.778 53.463 13 ALA ATOM 3002 CA ALA 2 7.984 23.020 51.205 14 THR ATOM 3003 CA VAL 3 10.803 23.423 53.751 15 LEU ATOM 3004 CA ASP 4 10.247 23.127 57.522 16 ASP ATOM 3005 CA PHE 5 13.630 24.005 59.018 17 TRP ATOM 3006 CA ALA 6 12.545 23.367 62.595 18 GLN ATOM 3007 CA TYR 7 11.551 19.824 61.466 19 LEU ATOM 3008 CA LEU 8 14.945 19.534 59.745 20 ALA ATOM 3009 CA GLU 9 16.782 20.509 62.932 21 LEU ATOM 3010 CA GLY 10 14.638 18.096 64.950 22 ARG ATOM 3011 CA PHE 11 15.815 15.265 62.676 23 GLN ATOM 3012 CA ALA 12 19.503 16.294 62.833 24 ALA ATOM 3013 CA ALA 13 20.071 16.192 66.620 25 ALA ATOM 3014 CA GLY 14 19.234 19.890 66.742 26 GLY ATOM 3015 CA ASP 15 22.514 20.639 64.879 27 LYS ATOM 3016 CA PHE 16 22.641 23.380 62.247 28 THR ATOM 3017 CA ALA 17 25.718 21.829 60.572 29 ASP ATOM 3018 CA VAL 18 24.149 18.425 60.277 30 LEU ATOM 3019 CA VAL 19 20.790 19.830 59.022 31 ALA ATOM 3020 CA ASP 20 22.814 21.881 56.504 32 ARG ATOM 3021 CA GLU 21 24.646 18.841 55.251 33 ASP ATOM 3022 CA VAL 22 19.667 19.420 52.997 34 LEU ATOM 3023 CA LEU 25 22.729 19.809 50.755 35 GLN ATOM 3024 CA PHE 26 19.155 15.985 49.332 36 LEU ATOM 3025 CA ARG 27 19.604 18.803 46.796 37 LEU ATOM 3026 CA GLU 28 22.561 16.941 45.264 38 ASP ATOM 3027 CA GLN 29 20.453 13.782 44.871 39 PHE ATOM 3028 CA ALA 30 17.347 15.413 43.349 40 LEU ATOM 3029 CA ALA 31 18.691 15.680 39.786 41 PRO ATOM 3030 CA LEU 32 19.064 11.899 39.512 42 GLU ATOM 3031 CA TRP 33 15.421 11.558 40.597 43 VAL ATOM 3032 CA ALA 34 14.305 14.348 38.242 44 ARG ATOM 3033 CA PRO 35 15.894 12.611 35.306 45 ASN ATOM 3034 CA LEU 36 10.842 10.940 36.587 47 VAL ATOM 3035 CA ASP 37 11.121 12.860 33.304 48 GLU ATOM 3036 CA PRO 38 11.959 9.590 31.486 49 GLU ATOM 3037 CA THR 39 8.832 8.010 32.992 50 GLN ATOM 3038 CA HIS 40 12.778 3.451 32.964 56 PRO ATOM 3039 CA PRO 41 13.855 0.675 35.302 57 GLU ATOM 3040 CA GLY 42 13.957 1.298 39.026 58 GLY ATOM 3041 CA TRP 43 11.372 4.118 39.352 59 LEU ATOM 3042 CA LYS 44 9.571 2.945 42.499 60 VAL ATOM 3043 CA ASP 45 12.850 2.046 44.223 61 ASP ATOM 3044 CA ALA 46 14.261 5.519 43.468 62 LEU ATOM 3045 CA VAL 47 11.076 7.235 44.749 63 ILE ATOM 3046 CA HIS 48 11.363 5.074 47.864 64 HIS ATOM 3047 CA THR 49 14.961 6.220 48.333 65 LYS ATOM 3048 CA VAL 50 13.911 9.856 47.985 66 LEU ATOM 3049 CA LYS 51 11.116 9.310 50.518 67 HIS ATOM 3050 CA GLY 52 13.657 7.963 52.981 68 GLY ATOM 3051 CA ALA 53 16.085 10.796 52.305 69 SER ATOM 3052 CA ALA 54 13.340 13.345 52.970 70 CYS ATOM 3053 CA ARG 55 12.997 11.855 56.423 71 GLY ATOM 3054 CA GLY 56 16.518 13.033 57.285 72 TYR ATOM 3055 CA VAL 57 15.523 16.640 56.514 73 SER ATOM 3056 CA GLY 58 12.292 18.708 56.612 74 GLY ATOM 3057 CA ALA 59 10.527 18.777 53.252 75 VAL ATOM 3058 CA PHE 60 6.927 17.801 53.978 76 PRO ATOM 3059 CA ASN 61 5.264 18.244 50.579 77 ARG ATOM 3060 CA GLY 63 7.977 13.561 51.309 78 LYS ATOM 3061 CA GLU 64 4.212 13.195 50.972 79 ASN ATOM 3062 CA VAL 65 4.356 13.283 47.170 80 LEU ATOM 3063 CA CYS 66 6.813 10.404 47.326 81 CYS ATOM 3064 CA GLU 67 4.382 8.586 49.656 82 GLN ATOM 3065 CA ARG 68 1.463 9.197 47.240 83 LEU ATOM 3066 CA CYS 69 3.461 7.956 44.253 84 ILE ATOM 3067 CA GLU 70 4.904 4.888 45.936 85 GLU ATOM 3068 CA ALA 71 1.693 3.885 47.685 86 GLN ATOM 3069 CA GLY 72 -0.347 4.193 44.478 87 GLN ATOM 3070 CA GLN 73 2.304 2.168 42.554 88 LEU ATOM 3071 CA GLU 74 1.967 4.320 36.072 94 GLU ATOM 3072 CA SER 75 -2.310 7.555 35.964 96 ASP ATOM 3073 CA LEU 76 0.271 8.983 38.386 97 LEU ATOM 3074 CA GLU 77 1.686 11.531 35.983 98 GLU ATOM 3075 CA GLY 78 0.112 14.464 37.834 99 PRO ATOM 3076 CA VAL 79 1.897 13.523 41.066 100 GLU ATOM 3077 CA ARG 80 5.147 13.014 39.139 101 LEU ATOM 3078 CA THR 81 4.798 16.508 37.622 102 LEU ATOM 3079 CA ALA 82 4.019 17.931 41.047 103 GLU ATOM 3080 CA LEU 83 7.168 16.268 42.405 104 LEU ATOM 3081 CA ASP 84 9.233 17.962 39.662 105 LEU ATOM 3082 CA ALA 85 7.710 21.291 40.638 106 ASP ATOM 3083 CA ALA 86 8.373 20.663 44.314 107 GLU ATOM 3084 CA LEU 88 12.335 23.494 42.303 108 ASP ATOM 3085 CA ASP 89 10.440 24.875 45.291 109 ASN ATOM 3086 CA ILE 90 12.739 23.073 47.734 110 VAL ATOM 3087 CA ALA 91 15.806 24.410 45.944 111 ALA ATOM 3088 CA ALA 92 14.460 27.948 46.127 112 ARG ATOM 3089 CA TYR 93 13.834 27.670 49.894 113 GLU ATOM 3090 CA ALA 94 17.180 25.909 50.489 114 ALA ATOM 3091 CA HIS 95 19.128 28.674 48.778 115 SER ATOM 3092 CA GLU 96 17.881 31.168 51.425 116 LYS ATOM 3093 CA GLN 97 17.614 29.220 54.656 117 ILE ATOM 3094 CA ALA 98 21.122 29.697 56.117 118 LEU ATOM 3095 CA LEU 99 21.244 33.247 54.649 119 GLY TER