NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4761 8.3349 115.4125 58.8167 64.3257 173.5374 2 T 4.3489 7.4246 115.3883 61.7048 71.8294 173.2713 3 A 4.2986 9.1682 129.7755 51.5709 20.3061 176.4684 4 L 4.2779 8.1171 119.1444 54.1753 42.5842 177.0679 5 A 4.3654 8.2069 125.0966 50.6856 19.7960 177.2466 6 K 3.9429 8.5034 123.1546 55.9326 32.4904 175.2761 7 P 4.5905 0.0000 0.0000 61.2671 32.8757 175.0070 8 Q 4.1371 8.4140 119.8767 56.2938 29.0559 175.0408 9 M 4.5927 8.6704 123.7899 55.0384 33.7353 175.9577 10 R 4.5505 7.8940 117.7838 55.3744 32.4956 176.4913 11 G 3.8202 8.7423 107.9509 46.8688 0.0000 175.5898 12 L 3.9290 7.3268 119.7091 57.4064 41.4232 179.2436 13 L 4.0131 7.8317 119.3449 57.9275 42.2469 178.4012 14 A 4.0330 8.0013 120.2232 55.1840 18.2534 179.5705 15 R 3.8850 8.3076 116.7589 59.5647 30.1573 179.0750 16 R 4.0359 7.6942 117.6969 59.5225 30.0036 178.1523 17 L 3.9971 8.2310 119.9634 58.3496 41.5591 178.8267 18 R 4.0590 8.3306 118.1308 59.5884 29.5873 178.7407 19 F 4.0998 8.5462 120.1260 61.8081 39.4596 177.0872 20 H 3.6136 8.7741 115.9433 58.3887 28.4723 177.5083 21 I 3.6214 8.3019 121.1664 64.2853 37.6787 177.8239 22 V 3.8443 7.3013 115.6775 66.1034 31.1903 178.1388 23 G 3.4703 7.3214 104.7257 47.6360 0.0000 175.3568 24 A 3.9237 8.0669 123.5636 55.0446 18.4151 179.7395 25 F 4.0917 8.0983 116.1704 60.7580 38.7009 177.6245 26 M 4.0618 8.1279 117.2257 58.6162 32.4102 178.2199 27 V 3.7361 8.0437 118.7054 66.1407 31.8459 178.1030 28 S 4.5209 8.4729 114.3213 61.6927 62.7103 176.3616 29 L 4.2513 8.3766 122.5975 57.4561 41.2653 179.3471 30 G 3.5268 7.9691 105.6367 47.4618 0.0000 175.3201 31 F 4.0391 7.7641 119.8949 60.0441 39.1807 177.5839 32 A 4.1355 8.3111 120.1119 55.7922 18.2092 179.8751 33 T 3.9255 8.2630 108.1282 64.5341 68.8557 176.8478 34 F 4.2085 9.0155 124.1368 61.3135 39.5445 176.4215 35 Y 4.0033 8.6015 119.4211 61.3136 38.5001 177.1582 36 K 3.5710 8.1967 119.4220 60.5532 31.7175 178.4356 37 F 4.0500 8.2892 117.3549 60.2529 39.0317 177.1906 38 A 3.8964 8.1110 118.9577 53.2353 18.3745 177.4620 39 V 4.0213 6.9441 115.8343 63.2659 35.0543 177.0905 40 A 3.8230 7.5673 121.1304 55.0113 18.3299 179.2120 41 E 3.8302 8.6491 118.5945 59.3224 29.7218 178.7226 42 K 3.8606 8.0023 119.1871 59.7612 32.0342 178.4662 43 R 4.0371 8.3075 119.0744 59.0903 29.6532 178.2707 44 K 3.9654 8.3877 119.8855 58.8548 32.0857 178.4070 45 K 4.0357 8.0299 119.0695 58.6541 32.5928 178.0750 46 A 4.0162 8.3361 121.5001 55.7367 18.1704 179.3359 47 Y 3.6731 8.0419 114.6789 60.9850 37.8277 178.0829 48 A 4.1974 7.5352 120.4173 55.2935 18.6858 179.2584 49 D 4.4542 8.7540 117.7199 57.4361 40.7614 178.3128 50 F 3.8663 7.7477 119.9373 61.8120 39.2345 175.6624 51 Y 4.7570 8.0519 114.3885 58.6481 37.7886 176.9680 52 R 4.0848 8.3159 121.7578 59.2312 30.7759 176.8925 53 N 5.0554 7.8638 111.4879 51.9159 38.8485 173.4085 54 Y 4.3996 7.6786 120.0865 55.7795 41.2214 173.5129 55 D 4.5883 7.5549 126.1308 52.0440 42.7512 176.2890 56 S 4.2810 7.9991 124.9446 60.9975 62.9032 176.0544 57 M 4.1169 7.9787 121.2043 58.3254 32.0882 177.8845 58 K 3.8697 8.1955 119.8704 59.4007 32.3152 178.0718 59 D 4.5560 8.5463 119.9424 56.7418 41.2059 177.8020 60 F 4.4776 8.4872 121.1708 61.6455 39.2829 176.7021 61 E 3.5260 8.3230 118.0245 59.5320 29.1090 179.2203 62 E 3.8909 7.8341 117.9418 59.8162 29.0560 179.5106 63 M 3.9715 7.9040 118.5216 58.2385 32.0560 178.7837 64 R 3.8451 8.1453 119.1823 59.4121 29.9775 178.8032 65 K 3.9833 8.0653 117.3752 59.1200 32.0987 178.9657 66 A 4.1181 7.7241 120.2461 52.9603 18.2022 178.2310 67 G 3.8141 7.5000 104.6859 46.1723 0.0000 175.0396 68 I 3.7390 7.0231 114.9947 62.9260 37.8173 176.5558 69 F 4.9671 7.4931 118.9177 57.1525 39.6521 174.7421 70 Q 4.7436 8.7984 116.8746 55.9674 29.0273 175.7561 71 S 4.5502 7.9625 109.2403 57.6101 63.9887 173.9474 72 A 4.3712 7.7961 118.5315 52.4937 19.7292 177.1833 73 K 4.2517 8.6957 119.8928 57.3195 32.3487 177.2042 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.33 4.48 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.42 4.35 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 A 9.17 4.30 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.12 4.28 0.00 1.65 1.60 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.21 4.37 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.50 3.94 0.00 1.73 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.59 0.00 2.21 2.05 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 8 Q 8.41 4.14 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 9 M 8.67 4.59 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 10 R 7.89 4.55 0.00 1.82 1.81 0.00 3.22 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 11 G 8.74 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.33 3.93 0.00 1.72 1.75 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.83 4.01 0.00 1.77 1.66 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.00 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.31 3.88 0.00 2.16 2.02 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 16 R 7.69 4.04 0.00 1.95 2.18 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 17 L 8.23 4.00 0.00 1.85 1.84 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.33 4.06 0.00 2.15 2.06 0.00 3.22 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 19 F 8.55 4.10 0.00 3.17 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.77 3.61 0.00 3.43 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.30 3.62 2.09 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 1.10 0.00 0.00 22 V 7.30 3.84 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 23 G 7.32 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.07 3.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.10 4.09 0.00 3.25 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.13 4.06 0.00 1.98 2.30 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 27 V 8.04 3.74 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.04 0.00 0.00 28 S 8.47 4.52 0.00 4.12 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.38 4.25 0.00 2.12 1.84 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.97 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.76 4.04 0.00 3.30 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.31 4.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.26 3.93 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 34 F 9.02 4.21 0.00 3.05 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.60 4.00 0.00 3.32 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.20 3.57 0.00 1.90 1.34 0.00 0.61 0.00 0.00 0.65 0.00 0.00 2.50 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.14 1.30 7.81 37 F 8.29 4.05 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.11 3.90 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 6.94 4.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.63 0.00 0.00 40 A 7.57 3.82 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.65 3.83 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 42 K 8.00 3.86 0.00 1.77 1.85 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.41 7.81 43 R 8.31 4.04 0.00 1.95 2.15 0.00 3.15 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 44 K 8.39 3.97 0.00 2.18 1.83 0.00 1.54 0.00 0.00 1.55 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.51 7.81 45 K 8.03 4.04 0.00 1.93 1.95 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.47 7.81 46 A 8.34 4.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.04 3.67 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.54 4.20 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.75 4.45 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.75 3.87 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.05 4.76 0.00 3.20 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.32 4.08 0.00 2.04 2.08 0.00 3.22 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 53 N 7.86 5.06 0.00 2.69 2.70 0.00 0.00 6.70 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.68 4.40 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.55 4.59 0.00 2.55 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.00 4.28 0.00 4.24 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 M 7.98 4.12 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.71 0.00 58 K 8.20 3.87 0.00 1.82 1.83 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.41 7.81 59 D 8.55 4.56 0.00 2.84 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.49 4.48 0.00 3.32 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.32 3.53 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 62 E 7.83 3.89 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 63 M 7.90 3.97 0.00 1.67 2.37 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.45 0.00 64 R 8.15 3.85 0.00 1.23 1.75 0.00 3.18 0.00 0.00 2.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 65 K 8.07 3.98 0.00 1.83 1.80 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.49 7.81 66 A 7.72 4.12 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.50 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.02 3.74 1.70 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.34 0.75 0.00 0.00 69 F 7.49 4.97 0.00 3.36 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.80 4.74 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.27 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 71 S 7.96 4.55 0.00 3.91 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.80 4.37 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.70 4.25 0.00 1.79 1.75 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81