3 165 (N_temp, Lch) 114 19.650 1 3wvzA ATOM 1001 CA GLN 25 12.857 5.948 107.959 6 PHE ATOM 1002 CA GLY 26 15.489 8.490 107.021 7 GLY ATOM 1003 CA ALA 27 15.531 12.261 107.402 8 CYS ATOM 1004 CA LEU 29 17.682 14.786 105.540 9 LEU ATOM 1005 CA LEU 30 18.266 18.529 105.795 10 VAL ATOM 1006 CA VAL 31 20.085 19.993 102.783 11 ALA ATOM 1007 CA ASN 32 23.711 20.649 103.674 12 GLY ATOM 1008 CA CYS 33 23.689 18.085 106.490 13 ARG ATOM 1009 CA ASP 34 24.182 14.330 106.826 14 LEU ATOM 1010 CA ARG 35 21.261 11.914 106.553 15 VAL ATOM 1011 CA ASP 36 19.727 10.862 109.868 16 GLN ATOM 1012 CA LEU 38 18.527 7.263 110.175 17 THR ATOM 1013 CA GLU 39 18.309 6.812 113.946 18 ALA ATOM 1014 CA SER 40 14.965 8.176 115.128 19 ALA ATOM 1015 CA SER 41 13.616 8.216 118.666 20 GLN ATOM 1016 CA ALA 42 10.900 5.555 118.847 21 GLN ATOM 1017 CA MET 43 8.290 7.099 121.141 22 VAL ATOM 1018 CA ASP 44 6.034 4.184 120.193 23 ALA ATOM 1019 CA CYS 45 6.398 1.078 118.033 24 GLU ATOM 1020 CA GLU 46 4.610 2.984 115.253 25 ASP ATOM 1021 CA ASP 47 5.948 6.473 116.002 26 LYS ATOM 1022 CA ASP 48 9.354 7.912 115.089 27 PHE ATOM 1023 CA GLU 49 10.855 11.282 115.987 28 VAL ATOM 1024 CA VAL 50 13.932 13.033 114.534 29 PHE ATOM 1025 CA LEU 51 15.617 15.998 116.220 30 ASP ATOM 1026 CA SER 53 16.635 18.934 114.005 31 LEU ATOM 1027 CA GLU 54 19.122 21.234 115.795 32 PRO ATOM 1028 CA ASP 55 19.674 24.811 114.562 33 ASP ATOM 1029 CA LEU 56 16.144 24.822 113.181 34 TYR ATOM 1030 CA GLN 57 15.925 28.476 112.100 35 GLU ATOM 1031 CA ASP 58 18.560 27.767 109.434 36 SER ATOM 1032 CA MET 59 16.308 25.224 107.691 37 ILE ATOM 1033 CA SER 60 13.871 25.706 104.790 38 ASN ATOM 1034 CA LEU 61 13.436 22.185 103.384 39 HIS ATOM 1035 CA MET 62 13.371 18.693 104.913 40 VAL ATOM 1036 CA THR 63 13.525 15.367 103.045 41 VAL ATOM 1037 CA LEU 64 11.772 12.332 104.565 42 VAL ATOM 1038 CA SER 65 12.014 8.822 103.133 43 PHE ATOM 1039 CA THR 66 11.569 5.109 103.720 44 MET ATOM 1040 CA LYS 67 14.938 3.361 103.990 45 LEU ATOM 1041 CA THR 68 13.614 0.476 101.898 46 GLY ATOM 1042 CA PRO 69 14.548 -2.005 104.626 47 THR ATOM 1043 CA LYS 70 10.929 -3.093 104.997 48 ILE ATOM 1044 CA ASP 71 7.659 -2.024 103.340 49 PRO ATOM 1045 CA PHE 72 4.677 -0.572 105.201 50 PHE ATOM 1046 CA PHE 73 2.342 -3.341 106.381 51 PRO ATOM 1047 CA THR 74 -0.843 -3.890 104.356 52 GLU ATOM 1048 CA ASN 75 -3.180 -0.894 104.499 53 GLY ATOM 1049 CA HIS 76 -0.697 1.393 106.232 54 MET ATOM 1050 CA THR 77 1.335 4.490 105.412 55 GLY ATOM 1051 CA LEU 78 3.146 7.317 107.148 56 GLY ATOM 1052 CA VAL 79 1.977 10.735 108.233 57 SER ATOM 1053 CA LEU 80 4.802 13.258 108.524 58 VAL ATOM 1054 CA HIS 81 4.583 15.969 111.181 59 TYR ATOM 1055 CA VAL 82 6.655 18.964 112.210 60 PHE ATOM 1056 CA ALA 83 7.008 20.711 115.567 61 SER ATOM 1057 CA ARG 84 8.410 24.219 116.146 62 TYR ATOM 1058 CA SER 85 8.569 26.957 118.808 63 PRO ATOM 1059 CA GLU 86 5.629 29.364 119.045 64 ASP ATOM 1060 CA THR 96 3.790 18.410 122.021 65 PRO ATOM 1061 CA CYS 97 2.144 20.266 119.083 66 VAL ATOM 1062 CA SER 98 2.734 19.192 115.446 67 TRP ATOM 1063 CA VAL 99 1.553 20.545 112.071 68 GLN ATOM 1064 CA VAL 100 0.921 17.892 109.474 69 LEU ATOM 1065 CA LEU 101 3.310 18.288 106.504 70 LEU ATOM 1066 CA GLY 102 2.281 15.410 104.263 71 GLY ATOM 1067 CA PRO 103 4.896 2.255 99.613 75 ASN ATOM 1068 CA LYS 104 3.840 3.856 96.330 76 GLY ATOM 1069 CA TRP 105 5.479 7.201 97.138 77 LYS ATOM 1070 CA PRO 106 8.196 6.395 99.704 78 PRO ATOM 1071 CA SER 107 9.842 9.837 99.870 79 SER ATOM 1072 CA HIS 108 8.913 13.521 99.895 80 ALA ATOM 1073 CA TYR 109 10.380 17.002 100.297 81 ILE ATOM 1074 CA LEU 110 8.663 19.530 102.568 82 PHE ATOM 1075 CA MET 111 8.910 23.274 103.163 83 LYS ATOM 1076 CA VAL 112 8.955 24.021 106.879 84 ILE ATOM 1077 CA PRO 113 9.594 27.765 106.658 85 SER ATOM 1078 CA GLY 114 6.727 30.253 106.558 86 GLY ATOM 1079 CA GLY 115 4.017 27.816 107.637 87 LEU ATOM 1080 CA LYS 116 0.901 29.519 109.017 88 LYS ATOM 1081 CA HIS 117 0.384 28.413 112.625 89 SER ATOM 1082 CA ASN 118 -2.928 26.863 113.660 90 GLY ATOM 1083 CA MET 119 -3.623 25.180 110.322 91 GLU ATOM 1084 CA ASP 120 -3.928 21.511 109.405 92 GLY ATOM 1085 CA GLU 124 -4.797 18.292 111.232 93 SER ATOM 1086 CA ALA 125 -3.951 17.501 114.854 94 GLN ATOM 1087 CA LEU 126 -1.153 15.167 115.932 95 HIS ATOM 1088 CA ALA 127 -0.819 11.645 117.423 96 PRO ATOM 1089 CA PHE 128 2.385 12.183 119.415 97 PHE ATOM 1090 CA PRO 129 1.601 11.591 123.072 98 GLY ATOM 1091 CA ASP 130 5.103 10.842 124.236 99 ALA ATOM 1092 CA THR 131 12.418 16.894 124.866 103 VAL ATOM 1093 CA ASP 132 12.072 20.174 123.024 104 ARG ATOM 1094 CA PHE 133 13.524 23.690 122.702 105 THR ATOM 1095 CA PRO 134 13.148 26.775 120.432 106 PRO ATOM 1096 CA GLY 135 16.400 25.948 118.602 107 SER ATOM 1097 CA LEU 136 15.649 22.250 118.197 108 VAL ATOM 1098 CA ILE 137 12.750 21.202 115.977 109 ALA ATOM 1099 CA THR 138 11.348 17.727 115.370 110 GLN ATOM 1100 CA LEU 139 10.147 15.694 112.429 111 ILE ATOM 1101 CA THR 140 7.594 13.096 113.459 112 GLY ATOM 1102 CA ILE 141 6.476 10.048 111.508 113 ILE ATOM 1103 CA SER 142 3.383 8.109 112.529 114 SER ATOM 1104 CA LEU 143 2.465 4.814 110.877 115 VAL ATOM 1105 CA LEU 144 -1.249 5.244 110.152 116 GLU ATOM 1106 CA ASP 145 -4.093 3.570 108.272 117 LEU ATOM 1107 CA THR 146 -4.188 4.733 104.644 118 LEU ATOM 1108 CA SER 147 -7.937 5.231 105.103 119 ASP ATOM 1109 CA ASN 148 -7.241 7.606 108.002 120 SER ATOM 1110 CA LEU 149 -4.518 9.432 106.087 121 MET ATOM 1111 CA GLU 150 -6.984 10.102 103.259 122 ALA ATOM 1112 CA LEU 151 -5.382 17.941 105.876 125 THR ATOM 1113 CA PRO 152 -1.744 19.049 105.601 126 PRO ATOM 1114 CA GLU 153 -0.947 22.717 106.180 127 VAL TER 86 22.600 2 4ytbA2 ATOM 2001 CA ASP 58 -15.950 15.660 -22.422 1 ASP ATOM 2002 CA MET 59 -13.739 15.568 -25.546 2 LYS ATOM 2003 CA SER 60 -15.021 19.067 -26.357 3 GLY ATOM 2004 CA LEU 61 -14.667 20.303 -22.710 4 TYR ATOM 2005 CA MET 62 -15.090 24.039 -22.114 5 LEU ATOM 2006 CA THR 63 -12.439 24.296 -19.386 6 TYR ATOM 2007 CA LEU 64 -12.290 27.148 -16.815 7 ILE ATOM 2008 CA SER 65 -8.988 27.363 -14.843 8 LYS ATOM 2009 CA THR 66 -9.345 29.653 -11.861 9 HIS ATOM 2010 CA LYS 67 -7.590 30.214 -8.510 10 TYR ATOM 2011 CA THR 68 -10.196 32.050 -6.443 11 PRO ATOM 2012 CA PRO 69 -9.860 35.148 -4.240 12 ILE ATOM 2013 CA LYS 70 -11.026 33.967 -0.782 13 LEU ATOM 2014 CA ASP 71 -11.295 35.096 2.796 14 GLY ATOM 2015 CA PHE 72 -9.598 38.191 4.126 15 GLU ATOM 2016 CA PHE 73 -5.917 44.577 -1.333 18 GLY ATOM 2017 CA THR 74 -5.732 47.390 -2.394 19 PRO ATOM 2018 CA ASN 75 -6.696 45.624 -5.665 20 ASP ATOM 2019 CA HIS 76 -9.112 42.678 -6.014 21 TYR ATOM 2020 CA THR 77 -8.472 41.157 -9.416 22 LYS ATOM 2021 CA LEU 78 -9.593 37.785 -10.558 23 ILE ATOM 2022 CA VAL 79 -8.211 35.888 -13.516 24 GLU ATOM 2023 CA LEU 80 -9.608 32.882 -15.305 25 ALA ATOM 2024 CA HIS 81 -8.199 30.910 -18.188 26 ASP ATOM 2025 CA VAL 82 -10.845 29.500 -20.503 27 VAL ATOM 2026 CA ALA 83 -10.197 27.066 -23.342 28 VAL ATOM 2027 CA ARG 84 -12.619 25.334 -25.692 29 SER ATOM 2028 CA SER 85 -11.526 21.760 -26.450 30 CYS ATOM 2029 CA GLU 86 -15.483 30.552 -30.152 34 THR ATOM 2030 CA MET 87 -15.952 31.483 -26.488 35 ILE ATOM 2031 CA ASP 88 -18.611 34.117 -25.749 36 SER ATOM 2032 CA LYS 89 -19.287 35.485 -23.168 37 PRO ATOM 2033 CA VAL 90 -16.975 35.028 -20.135 38 VAL ATOM 2034 CA ARG 91 -18.578 36.685 -17.156 39 GLN ATOM 2035 CA VAL 92 -18.099 37.359 -13.498 40 CYS ATOM 2036 CA PHE 93 -21.361 37.141 -11.546 41 TYR ATOM 2037 CA GLN 94 -21.081 38.973 -8.275 42 TYR ATOM 2038 CA ALA 95 -22.891 40.403 -5.251 43 ARG ATOM 2039 CA THR 96 -21.662 43.026 -2.779 44 ILE ATOM 2040 CA CYS 97 -22.776 43.016 0.888 45 ASN ATOM 2041 CA SER 98 -26.022 38.457 -8.560 50 PHE ATOM 2042 CA VAL 99 -25.020 40.882 -11.331 51 LYS ATOM 2043 CA VAL 100 -23.046 39.865 -14.408 52 ALA ATOM 2044 CA LEU 101 -20.035 41.739 -15.706 53 ALA ATOM 2045 CA GLY 102 -4.686 37.609 -24.081 59 SER ATOM 2046 CA PRO 103 -6.137 34.561 -25.853 60 THR ATOM 2047 CA LYS 104 -7.847 32.389 -23.246 61 GLY ATOM 2048 CA TRP 105 -6.909 34.719 -20.337 62 HIS ATOM 2049 CA PRO 106 -9.776 36.720 -18.838 63 TYR ATOM 2050 CA SER 107 -9.672 39.201 -15.959 64 THR ATOM 2051 CA HIS 108 -11.995 41.260 -13.796 65 TYR ATOM 2052 CA TYR 109 -11.223 43.898 -11.208 66 SER ATOM 2053 CA LEU 110 -13.673 44.590 -8.346 67 PHE ATOM 2054 CA MET 111 -13.768 48.376 -8.052 68 THR ATOM 2055 CA VAL 112 -15.285 50.800 -5.507 69 GLY ATOM 2056 CA PRO 113 -14.983 48.326 -2.612 70 LEU ATOM 2057 CA GLY 114 -14.736 49.698 0.939 71 ASN ATOM 2058 CA GLY 115 -13.153 48.179 4.066 72 LYS ATOM 2059 CA LYS 116 -15.258 45.253 5.376 73 ASN ATOM 2060 CA HIS 117 -17.214 44.898 2.063 74 ASP ATOM 2061 CA ASN 118 -18.306 41.281 1.452 75 LYS ATOM 2062 CA MET 119 -18.036 39.927 -2.113 76 VAL ATOM 2063 CA ASP 120 -19.656 36.776 -3.464 77 GLU ATOM 2064 CA PHE 121 -18.733 35.781 -7.017 78 TYR ATOM 2065 CA TYR 122 -18.527 32.997 -9.574 79 TYR ATOM 2066 CA VAL 123 -17.268 32.624 -13.187 80 ILE ATOM 2067 CA GLU 124 -19.454 31.743 -16.187 81 SER ATOM 2068 CA ALA 125 -18.385 30.874 -19.742 82 ALA ATOM 2069 CA LEU 126 -20.177 29.670 -22.856 83 ALA ATOM 2070 CA ALA 127 -19.086 28.699 -26.343 84 ASP ATOM 2071 CA PHE 128 -20.588 28.359 -29.822 85 ASN ATOM 2072 CA PRO 129 -20.868 24.569 -29.467 86 SER ATOM 2073 CA ASP 130 -23.638 25.146 -26.893 87 GLY ATOM 2074 CA THR 131 -21.475 24.343 -23.866 88 ARG ATOM 2075 CA ASP 132 -19.248 27.856 -14.322 91 THR ATOM 2076 CA PHE 133 -16.461 27.989 -11.784 92 TYR ATOM 2077 CA PRO 134 -25.399 27.823 -5.184 98 PRO ATOM 2078 CA GLY 135 -21.785 27.912 -3.872 99 ASP ATOM 2079 CA LEU 136 -20.000 31.168 -4.783 100 PRO ATOM 2080 CA ILE 137 -16.497 32.189 -3.828 101 PHE ATOM 2081 CA THR 138 -16.443 34.713 -0.992 102 LYS ATOM 2082 CA ILE 141 -13.930 37.280 0.197 103 PHE ATOM 2083 CA SER 142 -13.802 40.330 2.457 104 THR ATOM 2084 CA LEU 143 -12.071 43.584 1.591 105 CYS ATOM 2085 CA LEU 144 -9.569 44.612 4.260 106 MET ATOM 2086 CA ASP 145 -7.942 47.715 2.582 107 ASN TER 66 22.640 3 1lshB1 ATOM 3001 CA MET 59 65.325 67.455 4.450 4 LYS ATOM 3002 CA SER 60 62.690 66.449 7.023 5 VAL ATOM 3003 CA LEU 61 60.496 68.832 9.012 6 VAL ATOM 3004 CA MET 62 58.913 67.735 12.263 7 ILE ATOM 3005 CA THR 63 56.691 69.791 14.421 8 VAL ATOM 3006 CA LEU 64 55.486 68.890 17.881 9 LEU ATOM 3007 CA SER 65 52.652 71.152 18.794 10 ARG ATOM 3008 CA THR 66 50.717 71.504 22.025 11 ALA ATOM 3009 CA LYS 67 47.400 73.298 21.375 12 VAL ATOM 3010 CA THR 68 46.850 75.425 24.464 13 ARG ATOM 3011 CA PRO 69 43.485 76.854 25.477 14 ALA ATOM 3012 CA LYS 70 44.790 80.391 24.818 15 ASP ATOM 3013 CA ASP 71 45.584 79.581 21.230 16 GLY ATOM 3014 CA PHE 72 49.107 80.687 21.937 17 LYS ATOM 3015 CA PHE 73 51.711 78.975 19.791 18 GLN ATOM 3016 CA THR 74 53.454 76.235 21.817 19 GLN ATOM 3017 CA ASN 75 55.794 73.538 20.693 20 GLY ATOM 3018 CA HIS 76 58.934 72.652 18.935 21 LEU ATOM 3019 CA THR 77 59.989 72.612 15.310 22 GLN ATOM 3020 CA LEU 78 63.003 70.603 14.154 23 THR ATOM 3021 CA VAL 79 64.406 70.578 10.652 24 THR ATOM 3022 CA LEU 80 66.690 67.728 9.706 25 LEU ATOM 3023 CA HIS 81 69.153 68.596 6.921 26 TYR ATOM 3024 CA VAL 82 71.720 66.357 5.181 27 TYR ATOM 3025 CA ALA 83 74.095 66.169 2.239 28 GLY ATOM 3026 CA ARG 84 77.482 64.968 1.018 29 LEU ATOM 3027 CA SER 85 79.113 68.418 1.286 30 THR ATOM 3028 CA GLU 86 82.664 69.658 0.758 31 SER ATOM 3029 CA MET 87 81.972 62.833 3.003 34 LEU ATOM 3030 CA ASP 88 78.463 62.660 4.586 35 PRO ATOM 3031 CA LYS 89 76.949 65.529 6.527 36 LYS ATOM 3032 CA VAL 90 73.826 66.119 8.596 37 ALA ATOM 3033 CA ARG 91 72.367 68.928 10.724 38 LYS ATOM 3034 CA VAL 92 69.482 69.254 13.167 39 ILE ATOM 3035 CA PHE 93 67.939 72.636 14.079 40 VAL ATOM 3036 CA GLN 94 65.203 73.007 16.632 41 ALA ATOM 3037 CA ALA 95 63.180 76.085 17.616 42 VAL ATOM 3038 CA THR 96 60.188 76.776 19.834 43 GLU ATOM 3039 CA CYS 97 57.010 77.779 18.031 44 LEU ATOM 3040 CA SER 98 65.827 79.409 21.966 50 TRP ATOM 3041 CA VAL 99 67.475 77.251 19.293 51 LYS ATOM 3042 CA VAL 100 69.172 73.805 19.348 52 LEU ATOM 3043 CA LEU 101 71.701 73.350 16.519 53 CYS ATOM 3044 CA GLY 102 73.517 70.089 15.998 54 ALA ATOM 3045 CA PRO 103 90.912 62.379 7.463 61 HIS ATOM 3046 CA LYS 104 88.920 59.475 8.950 62 MET ATOM 3047 CA TRP 105 87.507 61.853 11.531 63 LYS ATOM 3048 CA PRO 106 83.956 62.278 12.711 64 ALA ATOM 3049 CA SER 107 83.089 65.654 14.190 65 LYS ATOM 3050 CA HIS 108 79.878 66.841 15.750 66 ALA ATOM 3051 CA TYR 109 79.010 70.001 17.558 67 ALA ATOM 3052 CA LEU 110 76.015 71.016 19.550 68 ILE ATOM 3053 CA MET 111 74.811 74.524 20.237 69 GLY ATOM 3054 CA VAL 112 71.787 75.415 22.316 70 TRP ATOM 3055 CA PRO 113 70.403 78.309 24.337 71 GLY ATOM 3056 CA LYS 116 70.005 82.034 23.439 72 LYS ATOM 3057 CA HIS 117 70.742 81.605 19.753 73 ASN ATOM 3058 CA ASN 118 72.142 78.074 19.808 74 CYS ATOM 3059 CA MET 119 75.421 79.728 20.714 75 GLN ATOM 3060 CA ASP 120 74.911 80.200 24.498 76 GLN ATOM 3061 CA PHE 121 75.940 76.592 25.178 77 TYR ATOM 3062 CA TYR 122 78.368 74.491 23.176 78 ARG ATOM 3063 CA VAL 123 79.706 70.964 23.189 79 ALA ATOM 3064 CA GLU 124 81.762 69.109 20.511 80 MET ATOM 3065 CA ALA 125 82.680 65.419 20.090 81 LEU ATOM 3066 CA LEU 126 85.638 64.798 17.778 82 GLU TER