2 136 (N_temp, Lch) 133 215.190 1 5xy3I ATOM 1001 CA THR 3 211.031 178.694 165.248 6 ARG ATOM 1002 CA LYS 4 210.796 177.538 168.892 7 CYS ATOM 1003 CA PHE 5 208.352 174.722 168.080 8 TYR ATOM 1004 CA ARG 6 209.403 173.602 164.575 9 ARG ATOM 1005 CA LYS 7 211.506 170.440 164.999 10 TYR ATOM 1006 CA GLN 8 201.650 164.255 173.508 16 TYR ATOM 1007 CA PHE 9 197.891 164.309 172.805 17 PRO ATOM 1008 CA ARG 10 194.856 165.714 174.626 18 LYS ATOM 1009 CA GLY 11 193.829 162.954 177.058 19 SER ATOM 1010 CA ARG 12 196.852 162.945 181.589 21 PHE ATOM 1011 CA MET 13 197.378 166.314 179.843 22 CYS ATOM 1012 CA THR 14 194.258 167.903 181.420 23 ARG ATOM 1013 CA GLY 15 194.559 171.697 181.304 24 GLY ATOM 1014 CA ASP 16 194.505 172.142 177.535 25 VAL ATOM 1015 CA ALA 17 193.260 175.098 175.449 26 PRO ATOM 1016 CA LYS 18 180.925 170.355 150.327 38 LYS ATOM 1017 CA GLY 19 177.861 168.440 149.045 39 THR ATOM 1018 CA GLY 20 179.129 168.018 145.456 40 ALA ATOM 1019 CA ASP 21 180.505 164.950 143.571 41 HIS ATOM 1020 CA TYR 22 183.473 163.146 142.003 42 ALA ATOM 1021 CA VAL 23 182.113 163.735 138.470 43 LYS ATOM 1022 CA ALA 24 181.110 167.390 139.059 44 GLU ATOM 1023 CA PHE 25 184.562 168.582 140.242 45 LEU ATOM 1024 CA GLY 26 187.197 166.276 138.689 46 PRO ATOM 1025 CA ASP 27 192.314 168.652 141.839 48 CYS ATOM 1026 CA TYR 28 195.189 170.744 143.121 49 CYS ATOM 1027 CA GLY 29 197.322 169.911 146.173 50 ARG ATOM 1028 CA LEU 30 199.881 171.642 148.405 51 LEU ATOM 1029 CA ILE 31 202.639 169.223 149.459 52 ILE ATOM 1030 CA ALA 32 205.110 169.920 152.296 53 LEU ATOM 1031 CA MET 33 208.808 169.142 151.641 54 LEU ATOM 1032 CA GLU 34 210.008 168.924 155.279 55 GLU ATOM 1033 CA PRO 35 209.762 166.801 158.431 56 HIS ATOM 1034 CA ALA 36 208.518 169.294 161.061 57 GLU ATOM 1035 CA TRP 37 205.662 170.666 163.203 58 CYS ATOM 1036 CA ILE 38 202.921 172.861 161.683 59 VAL ATOM 1037 CA LYS 39 200.996 175.128 164.095 60 SER ATOM 1038 CA SER 40 197.202 175.407 164.325 61 SER ATOM 1039 CA ASN 41 197.547 179.197 163.866 62 GLU ATOM 1040 CA GLN 42 199.190 178.629 160.458 63 ALA ATOM 1041 CA ILE 43 196.394 176.286 159.290 64 LEU ATOM 1042 CA GLU 44 193.620 178.836 160.043 65 GLU ATOM 1043 CA ALA 45 195.619 181.636 158.390 66 ALA ATOM 1044 CA CYS 46 195.899 179.359 155.315 67 ALA ATOM 1045 CA ARG 47 192.131 178.624 155.206 68 ARG ATOM 1046 CA ILE 48 191.086 182.294 155.411 69 VAL ATOM 1047 CA VAL 49 193.572 183.396 152.710 70 SER ATOM 1048 CA MET 50 192.414 180.472 150.510 71 SER ATOM 1049 CA SER 51 188.664 181.183 150.888 72 ASN ATOM 1050 CA ARG 52 188.881 184.942 150.361 73 ARG ATOM 1051 CA HIS 53 190.739 184.606 147.032 74 TYR ATOM 1052 CA PHE 54 188.360 181.909 145.708 75 MET ATOM 1053 CA ARG 55 185.357 183.954 146.919 76 MET ATOM 1054 CA ARG 56 186.689 187.027 145.054 77 LYS ATOM 1055 CA GLY 57 184.562 182.809 141.014 79 MET ATOM 1056 CA GLY 58 185.505 175.138 144.373 84 TYR ATOM 1057 CA LYS 59 185.990 172.811 147.363 85 HIS ATOM 1058 CA ILE 60 188.777 173.547 149.892 86 ILE ATOM 1059 CA TYR 61 189.973 170.922 152.407 87 LYS ATOM 1060 CA ILE 62 192.744 170.820 155.046 88 ILE ATOM 1061 CA ARG 63 194.475 167.456 155.609 89 ASN ATOM 1062 CA ILE 64 196.343 168.193 158.826 90 LEU ATOM 1063 CA PHE 65 194.688 167.936 162.249 91 HIS ATOM 1064 CA PRO 66 196.676 169.376 165.172 92 PRO ATOM 1065 CA ASP 67 196.814 166.796 168.008 93 PHE ATOM 1066 CA LYS 68 200.327 167.347 169.456 94 HIS ATOM 1067 CA PRO 69 200.246 169.699 172.468 95 VAL ATOM 1068 CA VAL 70 203.172 172.082 173.095 96 LEU ATOM 1069 CA THR 71 204.513 173.035 176.551 97 ARG ATOM 1070 CA LYS 72 206.135 176.081 178.256 98 ILE ATOM 1071 CA LYS 73 208.394 176.631 181.295 99 ASN ATOM 1072 CA PRO 74 207.753 185.390 183.731 102 LEU ATOM 1073 CA ALA 75 211.642 185.816 192.410 103 LEU ATOM 1074 CA GLU 76 211.945 182.669 190.225 104 GLN ATOM 1075 CA THR 77 212.668 178.920 190.131 105 THR ATOM 1076 CA ARG 78 214.033 178.238 186.649 106 GLY ATOM 1077 CA MET 79 214.954 174.786 185.379 107 MET ATOM 1078 CA GLY 80 213.756 173.137 188.590 108 ARG ATOM 1079 CA LYS 81 210.564 171.168 188.014 109 HIS ATOM 1080 CA GLY 82 211.051 172.099 184.376 110 ALA ATOM 1081 CA LYS 83 207.992 170.285 183.026 111 PHE ATOM 1082 CA GLY 84 205.571 172.870 181.689 112 GLY ATOM 1083 CA ALA 85 201.890 173.541 181.086 113 LYS ATOM 1084 CA VAL 86 200.416 173.072 177.605 114 PRO ATOM 1085 CA GLU 87 200.500 176.204 175.423 115 GLU ATOM 1086 CA TYR 88 198.953 175.256 172.079 116 GLY ATOM 1087 CA TRP 89 198.012 172.570 169.564 117 LEU ATOM 1088 CA VAL 90 200.208 171.491 166.652 118 VAL ATOM 1089 CA SER 91 200.303 169.044 163.741 119 ALA ATOM 1090 CA VAL 92 203.226 166.748 163.012 120 ARG ATOM 1091 CA VAL 93 203.964 166.613 159.300 121 ALA ATOM 1092 CA LYS 94 205.946 164.028 157.355 122 ASN ATOM 1093 CA PRO 95 208.086 164.500 154.228 123 TYR ATOM 1094 CA GLY 96 205.572 164.637 151.359 124 ASN ATOM 1095 CA ARG 97 202.460 165.113 153.492 125 SER ATOM 1096 CA VAL 98 199.707 167.028 151.692 126 GLN ATOM 1097 CA MET 99 198.535 169.787 154.075 127 ILE ATOM 1098 CA PHE 100 195.789 171.285 151.867 128 MET ATOM 1099 CA GLU 101 193.642 170.555 148.807 129 THR ATOM 1100 CA VAL 102 191.455 172.419 146.324 130 ILE ATOM 1101 CA ALA 103 189.037 170.367 144.200 131 ARG ATOM 1102 CA GLY 104 187.462 172.289 141.303 132 THR ATOM 1103 CA VAL 105 186.373 172.412 137.626 133 THR ATOM 1104 CA THR 106 188.988 177.511 137.751 136 GLY ATOM 1105 CA GLU 107 192.178 175.432 137.802 137 LEU ATOM 1106 CA GLU 108 193.975 178.744 137.129 138 LYS ATOM 1107 CA GLN 109 192.430 180.260 140.283 139 HIS ATOM 1108 CA ALA 110 193.256 177.224 142.476 140 ALA ATOM 1109 CA LYS 111 197.029 177.459 141.832 141 LEU ATOM 1110 CA GLU 112 197.081 181.206 142.615 142 GLU ATOM 1111 CA ALA 113 195.230 180.473 145.894 143 ALA ATOM 1112 CA PHE 114 197.720 177.815 147.062 144 LEU ATOM 1113 CA ARG 115 200.660 180.072 146.125 145 ARG ATOM 1114 CA LEU 116 199.351 182.551 148.740 146 ARG ATOM 1115 CA ALA 117 198.634 179.788 151.289 147 ALA ATOM 1116 CA GLY 118 202.240 178.487 150.996 148 SER ATOM 1117 CA HIS 119 203.697 181.701 152.525 149 PHE ATOM 1118 CA LYS 120 201.699 180.967 155.708 150 LYS ATOM 1119 CA LEU 121 203.562 177.680 156.338 151 PHE ATOM 1120 CA PRO 122 207.105 177.025 157.687 152 PRO ATOM 1121 CA ILE 123 209.918 175.773 155.432 153 GLY ATOM 1122 CA GLN 124 209.285 175.255 151.706 154 HIS ATOM 1123 CA THR 125 206.377 173.598 150.002 155 SER ATOM 1124 CA LYS 126 205.441 172.592 146.434 156 ARG ATOM 1125 CA MET 127 202.091 173.303 144.731 157 VAL ATOM 1126 CA VAL 128 201.079 170.387 142.500 158 VAL ATOM 1127 CA LYS 129 198.314 169.559 140.013 159 ILE ATOM 1128 CA ARG 130 197.351 165.933 140.740 160 SER ATOM 1129 CA GLU 131 196.533 163.344 138.065 161 ASN ATOM 1130 CA VAL 132 193.894 161.612 140.222 162 LYS ATOM 1131 CA TYR 133 190.183 162.500 140.277 163 VAL ATOM 1132 CA ASP 134 188.605 164.474 143.141 164 GLY ATOM 1133 CA GLU 135 190.046 163.277 146.418 165 PHE TER 115 274.550 2 2ftcI ATOM 2001 CA ARG 12 -13.200 -41.484 -38.607 1 ASP ATOM 2002 CA MET 13 -10.976 -39.836 -41.278 2 ILE ATOM 2003 CA THR 14 -12.046 -38.170 -44.489 3 ARG ATOM 2004 CA GLY 15 -8.451 -38.374 -45.829 4 GLY ATOM 2005 CA ASP 16 -5.057 -38.508 -44.011 5 PRO ATOM 2006 CA ALA 17 -1.542 -37.700 -45.393 6 SER ATOM 2007 CA LYS 18 -0.923 -37.076 -49.118 7 THR ATOM 2008 CA GLY 19 -3.740 -39.045 -50.760 8 GLU ATOM 2009 CA GLY 20 -3.190 -40.613 -54.182 9 ALA ATOM 2010 CA ASP 21 -6.875 -40.333 -55.157 10 THR ATOM 2011 CA TYR 22 -8.001 -38.649 -58.395 11 GLU ATOM 2012 CA VAL 23 -11.637 -39.473 -59.220 12 PHE ATOM 2013 CA ALA 24 -14.326 -37.629 -61.177 13 THR ATOM 2014 CA PHE 25 -17.852 -38.626 -60.067 14 GLU ATOM 2015 CA GLY 26 -19.400 -37.678 -63.444 15 GLY ATOM 2016 CA ASP 27 -19.965 -34.210 -61.904 16 ASN ATOM 2017 CA TYR 28 -17.759 -31.188 -62.731 17 PHE ATOM 2018 CA GLY 29 -14.474 -31.441 -60.894 18 ALA ATOM 2019 CA LEU 30 -13.422 -29.381 -57.907 19 ILE ATOM 2020 CA ILE 31 -10.008 -30.650 -56.843 20 LEU ATOM 2021 CA ALA 32 -7.299 -29.584 -54.399 21 ALA ATOM 2022 CA MET 33 -3.595 -28.822 -55.066 22 LEU ATOM 2023 CA GLU 34 -0.877 -29.177 -52.389 23 GLY ATOM 2024 CA PRO 35 -1.546 -30.402 -48.813 24 GLY ATOM 2025 CA ALA 36 -3.845 -27.864 -47.094 25 GLY ATOM 2026 CA TRP 37 -6.651 -27.887 -44.528 26 TYR ATOM 2027 CA ILE 38 -10.009 -26.225 -44.724 27 LEU ATOM 2028 CA LYS 39 -11.563 -26.210 -41.241 28 HIS ATOM 2029 CA SER 40 -15.172 -25.870 -39.954 29 TRP ATOM 2030 CA ASN 41 -17.337 -22.874 -40.956 30 GLY ATOM 2031 CA GLN 42 -15.173 -22.898 -44.113 31 HIS ATOM 2032 CA ILE 43 -15.597 -26.223 -46.064 32 PHE ATOM 2033 CA GLU 44 -18.974 -27.346 -44.521 33 GLU ATOM 2034 CA ALA 45 -20.322 -23.818 -45.220 34 MET ATOM 2035 CA CYS 46 -18.596 -23.627 -48.676 35 MET ATOM 2036 CA ARG 47 -21.192 -26.292 -49.413 36 ARG ATOM 2037 CA ILE 48 -23.961 -23.831 -48.432 37 LEU ATOM 2038 CA VAL 49 -22.828 -20.626 -50.217 38 THR ATOM 2039 CA MET 50 -22.864 -22.759 -53.398 39 ILE ATOM 2040 CA SER 51 -26.492 -23.743 -52.444 40 ASN ATOM 2041 CA ARG 52 -27.224 -20.008 -52.411 41 ARG ATOM 2042 CA HIS 53 -25.775 -19.910 -55.949 42 SER ATOM 2043 CA PHE 54 -26.207 -23.034 -58.201 43 MET ATOM 2044 CA ARG 55 -29.959 -23.291 -58.905 44 ASP ATOM 2045 CA ARG 56 -28.971 -29.051 -58.194 47 ASN ATOM 2046 CA GLY 57 -27.293 -32.147 -56.765 48 MET ATOM 2047 CA GLY 58 -24.714 -31.456 -54.082 49 PHE ATOM 2048 CA LYS 59 -21.907 -33.944 -53.535 50 ALA ATOM 2049 CA ILE 60 -19.354 -33.515 -50.786 51 ILE ATOM 2050 CA TYR 61 -16.282 -35.712 -50.847 52 TRP ATOM 2051 CA ILE 62 -14.424 -35.662 -47.538 53 ARG ATOM 2052 CA ARG 63 -15.549 -33.744 -44.423 54 VAL ATOM 2053 CA ILE 64 -15.244 -33.641 -41.403 55 PRO ATOM 2054 CA PHE 65 -12.891 -35.818 -39.294 56 ALA ATOM 2055 CA PRO 66 -13.250 -36.374 -35.517 57 PRO ATOM 2056 CA ASP 67 -9.400 -36.705 -35.565 58 PHE ATOM 2057 CA LYS 68 -8.532 -33.074 -36.425 59 LYS ATOM 2058 CA PRO 69 -10.568 -30.767 -34.032 60 PRO ATOM 2059 CA VAL 70 -7.859 -28.749 -32.353 61 ILE ATOM 2060 CA THR 71 -8.829 -27.381 -28.979 62 THR ATOM 2061 CA LYS 72 -6.248 -24.546 -28.774 63 ARG ATOM 2062 CA LYS 73 -6.976 -22.959 -25.385 64 LYS ATOM 2063 CA PRO 74 -6.069 -19.252 -25.106 65 SER ATOM 2064 CA ALA 75 -4.116 -18.988 -21.856 66 VAL ATOM 2065 CA GLU 76 -0.477 -18.093 -20.973 67 GLY ATOM 2066 CA THR 77 2.114 -20.593 -22.299 68 HIS ATOM 2067 CA ARG 78 2.645 -23.815 -20.285 69 ARG ATOM 2068 CA MET 79 -0.749 -24.317 -18.685 70 MET ATOM 2069 CA GLY 80 -3.265 -27.223 -18.997 71 GLY ATOM 2070 CA LYS 81 -3.943 -28.903 -22.368 72 GLY ATOM 2071 CA GLY 82 -6.285 -27.492 -25.039 73 GLY ATOM 2072 CA LYS 83 -9.863 -27.220 -23.664 74 LYS ATOM 2073 CA GLY 84 -12.752 -27.125 -26.160 75 GLY ATOM 2074 CA ALA 85 -12.014 -27.133 -29.906 76 ALA ATOM 2075 CA VAL 86 -12.697 -23.839 -31.710 77 ILE ATOM 2076 CA GLU 87 -11.703 -25.694 -34.919 78 ASP ATOM 2077 CA TYR 88 -13.403 -28.949 -35.982 79 HIS ATOM 2078 CA TRP 89 -11.393 -30.372 -38.955 80 TYR ATOM 2079 CA VAL 90 -8.642 -30.724 -41.600 81 VAL ATOM 2080 CA SER 91 -8.932 -31.371 -45.336 82 THR ATOM 2081 CA VAL 92 -6.701 -33.659 -47.435 83 PRO ATOM 2082 CA VAL 93 -5.466 -32.166 -50.715 84 VAL ATOM 2083 CA LYS 94 -5.318 -34.059 -54.032 85 LYS ATOM 2084 CA PRO 95 -8.760 -34.345 -55.774 86 ALA ATOM 2085 CA GLY 96 -12.505 -34.247 -55.038 87 GLY ATOM 2086 CA ARG 97 -13.025 -31.519 -52.419 88 ARG ATOM 2087 CA VAL 98 -16.700 -31.692 -53.297 89 LEU ATOM 2088 CA MET 99 -18.336 -31.963 -56.723 90 VAL ATOM 2089 CA PHE 100 -21.776 -30.989 -58.030 91 VAL ATOM 2090 CA GLU 101 -23.759 -32.526 -60.856 92 GLU ATOM 2091 CA VAL 102 -23.765 -30.298 -63.937 93 MET ATOM 2092 CA ALA 103 -26.828 -28.475 -65.252 94 GLY ATOM 2093 CA GLY 104 -27.532 -25.027 -66.633 95 GLY ATOM 2094 CA VAL 105 -25.716 -21.955 -65.222 96 ARG ATOM 2095 CA THR 106 -20.057 -25.081 -62.914 98 GLU ATOM 2096 CA GLU 107 -17.172 -22.563 -63.206 99 PHE ATOM 2097 CA GLU 108 -19.328 -19.910 -61.407 100 GLU ATOM 2098 CA GLN 109 -20.030 -22.427 -58.609 101 GLU ATOM 2099 CA ALA 110 -16.257 -23.191 -58.464 102 VAL ATOM 2100 CA LYS 111 -15.730 -19.415 -57.970 103 GLN ATOM 2101 CA GLU 112 -17.782 -19.739 -54.724 104 GLY ATOM 2102 CA ALA 113 -15.201 -22.344 -53.593 105 PHE ATOM 2103 CA PHE 114 -12.265 -20.088 -54.679 106 LEU ATOM 2104 CA ARG 115 -13.468 -17.409 -52.215 107 ASP ATOM 2105 CA LEU 116 -14.405 -19.632 -49.227 108 GLN ATOM 2106 CA ALA 117 -11.194 -21.691 -49.663 109 VAL ATOM 2107 CA GLY 118 -7.696 -21.666 -48.090 110 ALA ATOM 2108 CA HIS 119 -4.992 -23.122 -50.405 111 HIS ATOM 2109 CA LYS 120 -5.041 -23.549 -54.233 112 LYS ATOM 2110 CA LEU 121 -8.412 -25.303 -54.873 113 LEU ATOM 2111 CA PRO 122 -8.345 -25.756 -58.654 114 PRO ATOM 2112 CA ILE 123 -11.334 -26.824 -60.696 115 PHE ATOM 2113 CA GLN 124 -11.334 -29.384 -63.500 116 ALA ATOM 2114 CA THR 125 -13.683 -30.548 -66.248 117 ALA ATOM 2115 CA LYS 126 -14.256 -34.214 -67.237 118 LYS TER