3 96 (N_temp, Lch) 85 144.050 1 5bmnA3 ATOM 1001 CA PRO 1 13.929 68.789 30.708 110 GLN ATOM 1002 CA SER 2 16.206 71.144 28.760 111 LYS ATOM 1003 CA ASP 3 16.716 68.816 25.773 112 PHE ATOM 1004 CA ILE 4 13.932 66.229 25.500 113 PRO ATOM 1005 CA SER 5 14.710 63.590 22.880 114 CYS ATOM 1006 CA THR 6 12.903 60.796 21.075 115 SER ATOM 1007 CA PRO 7 15.585 58.195 21.459 116 GLY ATOM 1008 CA GLU 8 16.644 56.335 18.326 117 GLU ATOM 1009 CA ILE 9 13.657 54.980 16.403 118 ILE ATOM 1010 CA ASN 10 14.134 52.469 13.598 119 ASN ATOM 1011 CA ILE 11 12.050 52.186 10.457 120 PHE ATOM 1012 CA THR 12 12.219 49.251 8.070 121 LYS ATOM 1013 CA VAL 13 11.194 50.663 4.700 122 VAL ATOM 1014 CA THR 14 10.678 49.504 1.122 123 ALA ATOM 1015 CA GLU 15 12.829 52.315 -0.271 124 ASP ATOM 1016 CA LYS 18 15.121 54.350 1.965 125 ALA ATOM 1017 CA PHE 19 15.754 57.013 -0.658 126 LYS ATOM 1018 CA ALA 20 12.043 57.565 -1.302 127 ALA ATOM 1019 CA ILE 21 11.323 57.696 2.419 128 SER ATOM 1020 CA ILE 22 14.005 60.303 3.111 129 VAL ATOM 1021 CA GLU 23 12.698 62.317 0.164 130 ALA ATOM 1022 CA ALA 24 9.168 62.387 1.593 131 ARG ATOM 1023 CA LEU 25 10.546 63.811 4.825 132 VAL ATOM 1024 CA GLN 26 12.761 66.425 3.127 133 MET ATOM 1025 CA ARG 27 10.002 67.501 0.757 134 GLU ATOM 1026 CA ASP 28 7.591 67.955 3.618 135 HIS ATOM 1027 CA ALA 29 9.875 70.255 5.633 136 TYR ATOM 1028 CA GLN 30 11.500 72.158 2.757 137 ALA ATOM 1029 CA TRP 31 9.271 75.214 3.199 138 SER ATOM 1030 CA GLY 32 10.598 75.709 6.733 139 LEU ATOM 1031 CA GLU 33 14.145 76.113 5.358 140 SER ATOM 1032 CA GLY 34 15.981 74.145 8.051 141 PRO ATOM 1033 CA ASN 35 19.764 74.384 8.396 142 GLU ATOM 1034 CA ILE 36 21.086 71.135 6.908 143 LEU ATOM 1035 CA THR 37 24.225 69.193 7.777 144 ASP ATOM 1036 CA THR 38 25.340 66.133 5.839 145 TYR ATOM 1037 CA LEU 39 28.162 65.053 8.195 146 THR ATOM 1038 CA ASP 40 26.312 61.805 8.835 147 ASP ATOM 1039 CA GLY 41 23.009 61.145 7.142 148 GLY ATOM 1040 CA VAL 42 20.925 64.296 7.218 149 ILE ATOM 1041 CA ARG 43 20.615 66.629 10.175 150 SER ATOM 1042 CA VAL 44 17.981 69.351 9.954 151 ALA ATOM 1043 CA ASP 45 17.929 72.204 12.485 152 ASP ATOM 1044 CA TYR 46 14.667 74.165 12.625 153 PHE ATOM 1045 CA PRO 47 15.623 76.433 15.525 154 GLY ATOM 1046 CA LYS 48 13.654 75.054 18.460 155 GLN ATOM 1047 CA GLY 49 13.840 71.439 17.256 156 TRP ATOM 1048 CA TRP 50 16.070 69.277 15.092 157 ARG ATOM 1049 CA GLY 51 16.320 65.769 13.702 158 PHE ATOM 1050 CA LEU 52 18.894 63.395 12.331 159 ASN ATOM 1051 CA VAL 53 18.076 60.654 9.850 160 LEU ATOM 1052 CA ARG 54 20.616 57.933 9.006 161 ARG ATOM 1053 CA ALA 55 20.233 55.135 6.486 162 SER ATOM 1054 CA SER 56 21.694 51.650 6.901 163 SER ATOM 1055 CA ASN 57 24.049 50.444 4.189 164 ASN ATOM 1056 CA THR 58 23.341 46.780 4.983 165 THR ATOM 1057 CA THR 59 19.526 46.739 4.783 166 GLU ATOM 1058 CA PRO 60 16.742 49.204 3.959 167 PRO ATOM 1059 CA VAL 61 16.331 50.840 7.355 168 LEU ATOM 1060 CA LEU 62 16.187 54.428 8.538 169 LEU ATOM 1061 CA VAL 63 17.128 55.572 12.029 170 ARG ATOM 1062 CA LEU 64 15.546 58.714 13.448 171 LEU ATOM 1063 CA ARG 65 16.536 60.936 16.363 172 ASN ATOM 1064 CA PHE 66 14.636 64.118 17.319 173 VAL ATOM 1065 CA GLU 67 15.262 66.651 20.099 174 GLU ATOM 1066 CA ALA 68 13.846 70.016 21.094 175 THR ATOM 1067 CA ASP 69 14.741 73.034 23.198 176 ARG ATOM 1068 CA THR 70 9.471 71.460 24.525 178 ASP ATOM 1069 CA GLU 71 8.005 68.000 25.088 179 ALA ATOM 1070 CA GLU 72 4.856 68.714 23.074 180 ALA ATOM 1071 CA GLU 73 6.838 69.794 20.017 181 LEU ATOM 1072 CA LEU 74 9.008 66.709 20.412 182 LEU ATOM 1073 CA GLU 75 6.005 64.422 20.223 183 GLU ATOM 1074 CA ARG 76 4.178 66.151 17.384 184 THR ATOM 1075 CA ILE 77 7.300 66.319 15.207 185 ARG ATOM 1076 CA LYS 78 8.345 62.761 16.025 186 THR ATOM 1077 CA THR 79 4.889 61.461 15.070 187 GLN ATOM 1078 CA VAL 80 4.850 63.574 11.901 188 GLU ATOM 1079 CA PHE 81 8.196 62.247 10.741 189 ILE ATOM 1080 CA ARG 82 7.203 58.704 11.670 190 SER ATOM 1081 CA ASN 83 4.124 59.004 9.448 191 ASN ATOM 1082 CA GLN 84 6.184 60.345 6.552 192 LEU ATOM 1083 CA LEU 85 8.779 57.576 6.851 193 LEU ATOM 1084 CA LYS 86 6.140 54.862 6.860 194 ARG ATOM 1085 CA ALA 87 3.887 56.307 4.162 195 GLY TER 91 127.220 2 4hjhA3 ATOM 2001 CA SER 2 27.862 32.294 0.356 1 ARG ATOM 2002 CA ASP 3 27.315 35.976 -0.282 2 VAL ATOM 2003 CA ILE 4 28.370 37.490 3.044 3 ALA ATOM 2004 CA SER 5 28.496 41.055 4.387 4 LEU ATOM 2005 CA THR 6 29.490 42.504 7.740 5 SER ATOM 2006 CA PRO 7 29.346 45.923 9.355 6 ASP ATOM 2007 CA GLU 8 29.033 47.548 12.786 7 ARG ATOM 2008 CA ILE 9 27.349 50.382 14.628 8 LEU ATOM 2009 CA ASN 10 29.835 52.643 16.415 9 GLN ATOM 2010 CA THR 12 29.622 54.316 19.802 10 ASN ATOM 2011 CA VAL 13 27.268 51.705 21.310 11 ILE ATOM 2012 CA THR 14 27.936 51.288 25.053 12 PRO ATOM 2013 CA GLU 15 28.367 47.780 26.456 13 GLN ATOM 2014 CA ASP 16 25.161 48.100 28.502 14 GLU ATOM 2015 CA SER 17 23.126 49.038 25.407 15 ALA ATOM 2016 CA LYS 18 24.451 46.152 23.267 16 SER ATOM 2017 CA PHE 19 23.991 43.750 26.223 17 THR ATOM 2018 CA ALA 20 20.342 44.907 26.497 18 ALA ATOM 2019 CA ILE 21 19.704 44.531 22.763 19 PHE ATOM 2020 CA ILE 22 21.189 41.026 22.698 20 LEU ATOM 2021 CA GLU 23 18.996 40.009 25.663 21 ALA ATOM 2022 CA ALA 24 15.921 41.311 23.795 22 LEU ATOM 2023 CA LEU 25 16.695 38.853 20.979 23 LEU ATOM 2024 CA GLN 26 16.538 35.906 23.379 24 GLU ATOM 2025 CA ARG 27 12.795 36.567 23.785 25 ASP ATOM 2026 CA ASP 28 10.828 34.650 21.135 26 ALA ATOM 2027 CA ALA 29 8.086 37.301 20.995 27 ASP ATOM 2028 CA GLN 30 8.214 41.663 16.528 31 SER ATOM 2029 CA TRP 31 10.632 34.880 6.648 37 ASP ATOM 2030 CA GLY 32 10.357 32.818 9.812 38 ALA ATOM 2031 CA GLU 33 13.209 32.351 12.289 39 ILE ATOM 2032 CA GLY 34 13.853 28.639 12.455 40 VAL ATOM 2033 CA ASN 35 16.923 28.535 14.748 41 ARG ATOM 2034 CA ILE 36 18.711 30.810 17.191 42 VAL ATOM 2035 CA THR 37 22.244 30.335 18.577 43 GLU ATOM 2036 CA THR 38 23.820 32.209 21.506 44 THR ATOM 2037 CA LEU 39 27.331 30.665 21.398 45 ILE ATOM 2038 CA ASP 40 28.826 34.111 20.653 46 ASP ATOM 2039 CA GLY 41 26.242 36.894 20.556 47 GLY ATOM 2040 CA VAL 42 22.945 36.002 18.928 48 VAL ATOM 2041 CA ARG 43 22.657 34.416 15.478 49 LYS ATOM 2042 CA VAL 44 19.247 34.143 13.800 50 LEU ATOM 2043 CA ASP 45 18.715 31.602 11.049 51 PHE ATOM 2044 CA TYR 46 15.823 32.016 8.656 52 PHE ATOM 2045 CA PRO 47 13.597 29.628 6.789 53 GLN ATOM 2046 CA LYS 48 14.776 31.286 3.560 54 SER ATOM 2047 CA GLY 49 19.232 33.956 5.306 56 ASN ATOM 2048 CA TRP 50 21.152 34.495 8.519 57 ALA ATOM 2049 CA GLY 51 21.720 37.612 10.679 58 VAL ATOM 2050 CA LEU 52 24.284 37.503 13.477 59 HIS ATOM 2051 CA VAL 53 24.719 40.221 16.134 60 TYR ATOM 2052 CA ARG 54 27.706 40.484 18.513 61 ARG ATOM 2053 CA ALA 55 28.950 43.139 20.883 62 ALA ATOM 2054 CA SER 56 32.536 43.859 20.016 63 SER ATOM 2055 CA ASN 57 34.707 42.993 23.036 64 GLY ATOM 2056 CA THR 58 37.358 45.487 21.847 65 ASN ATOM 2057 CA THR 59 35.376 48.713 21.591 66 ALA ATOM 2058 CA PRO 60 31.843 50.013 22.191 67 PRO ATOM 2059 CA VAL 61 30.450 48.732 18.913 68 GLU ATOM 2060 CA LEU 62 27.700 46.356 17.846 69 LEU ATOM 2061 CA VAL 63 28.524 43.971 14.968 70 ARG ATOM 2062 CA LEU 64 25.975 42.819 12.358 71 CYS ATOM 2063 CA ARG 65 27.026 39.957 10.025 72 TYR ATOM 2064 CA PHE 66 24.744 38.508 7.295 73 VAL ATOM 2065 CA GLU 67 24.638 35.755 4.666 74 GLU ATOM 2066 CA ALA 68 22.192 35.507 1.766 75 SER ATOM 2067 CA ASP 69 21.819 34.087 -1.738 76 SER ATOM 2068 CA THR 70 22.968 36.965 -3.974 77 ASP ATOM 2069 CA GLU 71 24.493 40.471 -3.812 78 ASP ATOM 2070 CA GLU 72 21.080 42.265 -3.914 79 THR ATOM 2071 CA GLU 73 19.531 40.172 -1.152 80 GLN ATOM 2072 CA LEU 74 22.700 40.365 0.967 81 ALA ATOM 2073 CA GLU 75 22.817 44.208 0.714 82 ALA ATOM 2074 CA ARG 76 19.114 44.466 1.648 83 LYS ATOM 2075 CA ILE 77 19.645 41.985 4.503 84 LEU ATOM 2076 CA LYS 78 22.684 43.916 5.841 85 GLN ATOM 2077 CA THR 79 20.738 47.183 5.740 86 ALA ATOM 2078 CA VAL 80 17.730 45.567 7.489 87 LEU ATOM 2079 CA PHE 81 19.923 44.043 10.197 88 GLY ATOM 2080 CA ARG 82 21.567 47.353 10.943 89 LEU ATOM 2081 CA ASN 83 18.250 49.273 10.936 90 GLU ATOM 2082 CA GLN 84 16.613 46.743 13.324 91 ILE ATOM 2083 CA LEU 85 19.503 47.202 15.758 92 ALA ATOM 2084 CA LYS 86 19.510 51.027 15.346 93 ARG ATOM 2085 CA ALA 87 15.753 51.237 16.030 94 LYS ATOM 2086 CA VAL 88 15.823 48.881 19.014 95 ALA ATOM 2087 CA ASP 89 18.854 50.680 20.472 96 LEU ATOM 2088 CA SER 90 17.118 54.076 20.193 97 LYS ATOM 2089 CA SER 91 13.857 52.673 21.710 98 ASP ATOM 2090 CA LEU 92 15.610 51.157 24.741 99 ALA ATOM 2091 CA PRO 93 17.383 54.508 25.349 100 THR TER 87 149.380 3 1wqaA4 ATOM 3001 CA ASP 3 18.214 -10.803 -5.543 1 LYS ATOM 3002 CA ILE 4 14.820 -9.210 -4.925 2 TYR ATOM 3003 CA SER 5 13.147 -6.021 -6.153 3 TYR ATOM 3004 CA THR 6 10.699 -3.916 -4.162 4 GLN ATOM 3005 CA PRO 7 8.537 -0.824 -4.628 5 ILE ATOM 3006 CA GLU 8 6.712 1.397 -2.144 6 LYS ATOM 3007 CA ILE 9 3.755 3.769 -2.218 7 THR ATOM 3008 CA ASN 10 1.673 5.744 0.267 8 LYS ATOM 3009 CA ILE 11 -1.937 6.849 -0.156 9 ARG ATOM 3010 CA THR 12 -3.811 9.222 2.167 10 HIS ATOM 3011 CA VAL 13 -6.827 7.558 3.769 11 VAL ATOM 3012 CA THR 14 -9.233 8.801 6.418 12 GLU ATOM 3013 CA GLU 15 -12.055 7.200 8.361 13 GLY ATOM 3014 CA ASP 16 -11.786 3.544 9.363 14 ASP ATOM 3015 CA LYS 18 -8.495 3.329 7.458 15 ARG ATOM 3016 CA PHE 19 -7.949 -0.052 9.115 16 HIS ATOM 3017 CA ALA 20 -11.303 -1.562 8.103 17 ALA ATOM 3018 CA ILE 21 -10.357 -0.557 4.567 18 ILE ATOM 3019 CA ILE 22 -7.343 -2.891 4.694 19 VAL ATOM 3020 CA GLU 23 -9.589 -5.649 6.037 20 ASN ATOM 3021 CA ALA 24 -11.792 -5.312 2.961 21 LYS ATOM 3022 CA LEU 25 -8.785 -5.569 0.630 22 VAL ATOM 3023 CA GLN 26 -8.020 -8.868 2.350 23 ALA ATOM 3024 CA ARG 27 -11.560 -10.228 1.882 24 GLU ATOM 3025 CA ASP 28 -11.586 -9.383 -1.808 25 MET ATOM 3026 CA ALA 29 -8.099 -10.770 -2.348 26 ALA ATOM 3027 CA GLN 30 -9.179 -14.008 -0.691 27 ARG ATOM 3028 CA TRP 31 -12.433 -14.051 -2.696 28 GLU ATOM 3029 CA GLY 32 -10.385 -13.707 -5.876 29 ARG ATOM 3030 CA GLU 33 -8.319 -16.760 -4.965 30 GLY ATOM 3031 CA GLY 34 -5.339 -14.937 -3.425 31 TYR ATOM 3032 CA ASN 35 -3.398 -16.230 -0.411 32 THR ATOM 3033 CA ILE 36 -3.584 -13.458 2.182 33 VAL ATOM 3034 CA THR 37 -1.584 -13.172 5.389 34 ASP ATOM 3035 CA THR 38 -3.279 -10.860 7.880 35 THR ATOM 3036 CA LEU 39 -0.628 -10.879 10.618 36 THR ATOM 3037 CA ASP 40 -0.228 -7.120 10.200 37 ASP ATOM 3038 CA GLY 41 -2.370 -5.696 7.422 38 GLY ATOM 3039 CA VAL 42 -3.102 -7.441 4.117 39 ALA ATOM 3040 CA ARG 43 -0.134 -9.310 2.689 40 LYS ATOM 3041 CA VAL 44 -0.910 -11.051 -0.611 41 ILE ATOM 3042 CA ASP 45 1.512 -13.976 -0.810 42 ILE ATOM 3043 CA TYR 46 2.964 -15.256 -4.075 43 PHE ATOM 3044 CA PRO 47 5.705 -17.793 -4.793 44 GLU ATOM 3045 CA LYS 48 7.951 -15.193 -6.426 45 ASP ATOM 3046 CA GLY 49 7.089 -12.422 -3.961 46 GLY ATOM 3047 CA TRP 50 4.283 -10.486 -2.276 47 TRP ATOM 3048 CA GLY 51 2.285 -7.304 -1.777 48 VAL ATOM 3049 CA LEU 52 1.543 -5.619 1.561 49 LEU ATOM 3050 CA VAL 53 -1.269 -3.169 2.251 50 VAL ATOM 3051 CA ARG 54 -0.869 -1.896 5.798 51 ARG ATOM 3052 CA ALA 55 -2.432 1.100 7.514 52 ALA ATOM 3053 CA SER 56 -0.091 3.364 9.470 53 SER ATOM 3054 CA ASN 57 -0.846 3.356 13.173 54 GLY ATOM 3055 CA THR 58 -0.195 7.096 13.413 55 THR ATOM 3056 CA THR 59 -0.605 8.983 10.119 56 GLU ATOM 3057 CA PRO 60 -3.776 8.745 7.931 57 PRO ATOM 3058 CA VAL 61 -1.894 6.578 5.431 58 ILE ATOM 3059 CA LEU 62 -2.250 3.056 4.071 59 ILE ATOM 3060 CA VAL 63 1.151 2.283 2.518 60 ARG ATOM 3061 CA LEU 64 1.666 -0.329 -0.217 61 ILE ATOM 3062 CA ARG 65 4.860 -2.408 -0.325 62 PHE ATOM 3063 CA PHE 66 5.744 -5.045 -2.904 63 SER ATOM 3064 CA GLU 67 8.629 -7.389 -3.655 64 GLU ATOM 3065 CA ALA 68 9.502 -9.901 -6.350 65 ALA ATOM 3066 CA ASP 69 12.512 -11.409 -8.091 66 LYS ATOM 3067 CA THR 70 12.036 -9.030 -11.041 67 SER ATOM 3068 CA GLU 71 11.036 -5.383 -11.435 68 LYS ATOM 3069 CA GLU 72 8.065 -6.482 -13.568 69 GLU ATOM 3070 CA GLU 73 6.480 -8.778 -10.993 70 LYS ATOM 3071 CA LEU 74 7.186 -6.215 -8.264 71 ALA ATOM 3072 CA GLU 75 5.313 -3.629 -10.324 72 GLN ATOM 3073 CA ARG 76 2.467 -6.074 -11.066 73 GLU ATOM 3074 CA ILE 77 2.114 -7.026 -7.417 74 TYR ATOM 3075 CA LYS 78 2.280 -3.349 -6.440 75 LEU ATOM 3076 CA THR 79 -0.482 -2.467 -8.898 76 ASN ATOM 3077 CA VAL 80 -2.484 -5.462 -7.709 77 LEU ATOM 3078 CA PHE 81 -2.469 -3.846 -4.264 78 GLY ATOM 3079 CA ARG 82 -3.358 -0.372 -5.483 79 ILE ATOM 3080 CA ASN 83 -6.184 -1.943 -7.504 80 GLU ATOM 3081 CA GLN 84 -7.787 -3.712 -4.542 81 LEU ATOM 3082 CA LEU 85 -7.284 -0.613 -2.394 82 LEU ATOM 3083 CA LYS 86 -9.166 1.698 -4.731 83 GLU ATOM 3084 CA ALA 87 -12.058 -0.708 -5.297 84 LYS ATOM 3085 CA VAL 88 -12.209 -0.938 -1.503 85 ALA ATOM 3086 CA ASP 89 -12.452 2.845 -1.371 86 LEU ATOM 3087 CA SER 90 -15.404 2.717 -3.774 87 SER TER