NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.3635 8.4449 121.4701 55.3619 31.8757 175.7670 10 E 4.3560 8.3127 117.2375 56.9283 34.1632 173.1470 11 E 4.2141 8.2636 120.7972 58.5261 32.7086 174.9162 12 E 4.2913 9.4859 125.2445 56.7054 27.9651 173.7406 13 L 4.7506 7.8456 125.2427 53.2264 45.6250 176.4812 14 V 4.1167 8.1403 115.1186 59.6248 31.5436 174.6736 15 D 4.7320 8.1600 123.9745 52.1441 42.7034 174.6560 16 P 4.3790 0.0000 0.0000 63.9388 31.4232 177.8273 17 L 3.8666 7.5191 119.6628 59.1040 42.0193 179.2458 18 T 3.8782 7.8039 114.6348 66.6067 67.4288 176.6733 19 T 3.9000 7.6119 118.3002 66.4264 68.1508 175.9480 20 V 4.2178 7.6337 119.3025 62.9678 32.3099 178.3706 21 R 3.9317 8.5716 119.5415 59.1467 29.6012 178.4555 22 E 4.0974 7.9913 117.1012 58.7965 29.6920 178.6256 23 Q 4.1247 7.4515 117.8246 58.6281 28.5300 177.7574 24 C 4.4996 7.7700 116.9553 59.5446 40.6197 175.8551 25 E 3.6318 8.6042 118.2234 58.1536 29.4925 177.6701 26 Q 4.1345 8.1238 108.5472 55.5176 29.7078 180.3637 27 L 4.3186 8.4680 126.7545 55.5145 42.4294 177.1926 28 E 4.0295 8.5577 121.4046 59.5377 29.7567 180.0588 29 K 4.1789 7.9963 117.1106 58.4343 32.0976 179.0243 30 C 4.2842 8.0610 117.3456 62.9059 28.1798 175.6849 31 V 3.6745 7.8858 119.6175 66.3535 31.1306 178.2887 32 K 4.0515 8.1334 117.1931 58.8892 31.4582 178.6168 33 A 4.3482 7.6504 119.0902 53.7416 19.1224 179.1055 34 R 3.7135 9.0141 118.9564 59.7638 29.9556 178.3289 35 E 3.9082 8.1802 119.0580 59.1772 29.7759 178.5945 36 R 4.1105 7.9527 114.7331 57.7349 29.6873 178.4361 37 L 3.8680 7.5622 121.3391 58.4466 42.2300 178.5291 38 E 4.0673 8.3484 118.7466 59.2036 28.9498 179.3262 39 L 3.9370 8.2704 119.5408 57.9161 41.6643 178.4886 40 C 4.1859 8.0821 118.3001 59.9611 39.2129 175.3050 41 D 4.2821 8.6613 120.4335 59.2540 40.6254 179.6478 42 E 3.2360 8.3771 114.0927 57.7334 29.5700 179.3333 43 R 4.0179 7.6120 122.4316 59.0845 30.2232 179.2715 44 V 3.6938 7.9291 119.0987 66.1778 31.6824 177.5906 45 S 4.3175 7.6887 113.3151 61.6893 62.6884 176.0456 46 S 4.6900 7.4624 114.8673 57.6670 63.0061 173.8743 47 R 4.6884 7.0241 119.2246 54.6303 34.0251 173.8483 48 S 4.1227 8.2382 114.1095 59.0670 62.1207 173.6865 49 Q 4.3965 8.2322 119.9747 56.0387 29.7084 175.3632 50 T 4.1957 7.5762 110.5694 61.8238 68.0433 174.2314 51 E 4.6471 8.3452 125.4930 53.4453 30.1118 174.7440 52 E 4.5892 8.2375 120.2798 54.7617 30.3671 173.9582 53 D 4.7707 7.9494 121.0170 53.0715 42.7555 178.2765 54 C 4.8514 8.3441 116.9915 57.2073 41.5328 174.6664 55 T 3.7970 8.2862 116.3123 67.6143 67.8551 175.5882 56 E 3.9863 8.2023 119.6841 59.8585 29.7742 179.1717 57 E 4.3421 7.7859 118.5343 57.7209 29.6410 178.7523 58 L 4.1160 7.3087 120.0604 58.3421 42.0559 179.1672 59 L 4.0671 8.1371 118.7403 58.0814 41.4805 179.2703 60 D 4.4833 8.1712 118.2769 57.0172 40.6233 178.3888 61 F 4.2585 7.9504 120.2523 61.4879 39.3930 177.2554 62 L 3.4619 8.0461 118.4316 57.6806 41.3914 178.5535 63 H 3.9153 8.8226 118.3909 59.8081 29.8354 176.9396 64 A 3.9773 7.9145 121.5457 54.8525 18.1141 179.5537 65 R 3.6967 7.9822 117.6926 59.3302 30.1102 178.0094 66 D 4.5056 7.9848 117.7476 55.8229 41.5481 178.0343 67 H 4.0323 7.9677 119.3125 59.7385 29.4931 176.3181 68 C 4.3746 7.5626 117.8262 59.3611 38.3474 175.1876 69 V 3.7101 8.0725 120.1728 66.1159 30.8833 177.9880 70 A 4.0464 7.9059 118.8972 55.3707 18.3303 178.5683 71 H 4.0765 7.6762 114.3465 59.1589 29.9981 176.8418 72 K 4.3876 7.6657 117.7104 57.2524 33.0309 178.8623 73 L 4.5627 8.3865 124.5098 52.0261 41.2967 180.1174 74 F 3.7478 8.8134 111.2241 59.1101 37.7979 175.5306 75 N 4.7763 10.0965 114.4366 54.3374 38.8670 175.3187 76 S 4.6051 8.0661 111.1104 60.4851 69.2515 174.4004 77 L 3.5923 7.0661 118.0323 53.8018 40.9780 176.9241 78 K 4.1474 8.4218 124.3551 56.4911 32.4718 175.4459 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 9 E 8.44 4.36 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 10 E 8.31 4.36 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 11 E 8.26 4.21 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 12 E 9.49 4.29 0.00 1.97 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 2.12 2.13 0.00 13 L 7.85 4.75 0.00 1.55 1.45 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.14 4.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.92 0.00 0.00 15 D 8.16 4.73 0.00 2.76 2.53 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 16 P 0.00 4.38 0.00 2.15 2.05 0.00 3.90 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 17 L 7.52 3.87 0.00 1.83 1.76 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.80 3.88 4.25 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 1.23 0.00 0.00 19 T 7.61 3.90 4.37 0.00 0.00 0.00 0.00 0.00 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 20 V 7.63 4.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 21 R 8.57 3.93 0.00 1.99 2.05 0.00 3.14 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 22 E 7.99 4.10 0.00 2.14 2.02 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 2.35 2.37 0.00 23 Q 7.45 4.12 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 24 C 7.77 4.50 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 3.63 0.00 2.17 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 0.00 2.68 2.52 0.00 26 Q 8.12 4.13 0.00 2.20 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 27 L 8.47 4.32 0.00 1.60 1.59 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.56 4.03 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 29 K 8.00 4.18 0.00 1.76 1.86 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.46 7.81 30 C 8.06 4.28 0.00 3.33 3.12 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 31 V 7.89 3.67 2.20 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 1.05 0.00 0.00 1.08 0.00 0.00 32 K 8.13 4.05 0.00 1.87 1.86 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.52 7.81 33 A 7.65 4.35 1.47 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 34 R 9.01 3.71 0.00 2.02 2.24 0.00 2.89 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 35 E 8.18 3.91 0.00 2.33 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 2.30 2.31 0.00 36 R 7.95 4.11 0.00 2.12 2.17 0.00 2.85 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.65 0.00 37 L 7.56 3.87 0.00 1.81 1.91 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.35 4.07 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 39 L 8.27 3.94 0.00 1.78 1.71 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.08 4.19 0.00 3.09 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.66 4.28 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.38 3.24 0.00 2.33 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 43 R 7.61 4.02 0.00 1.96 2.06 0.00 3.07 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 44 V 7.93 3.69 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 45 S 7.69 4.32 0.00 4.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.46 4.69 0.00 3.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.02 4.69 0.00 1.83 1.76 0.00 3.19 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 48 S 8.24 4.12 0.00 3.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 4.40 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 50 T 7.58 4.20 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 51 E 8.35 4.65 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 52 E 8.24 4.59 0.00 1.84 1.80 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 2.22 2.42 0.00 53 D 7.95 4.77 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.34 4.85 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 3.80 4.25 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 1.22 0.00 0.00 56 E 8.20 3.99 0.00 2.01 2.02 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 2.42 2.42 0.00 57 E 7.79 4.34 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.23 0.00 58 L 7.31 4.12 0.00 1.81 1.85 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.14 4.07 0.00 1.92 1.73 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.17 4.48 0.00 2.78 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 61 F 7.95 4.26 0.00 3.26 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.05 3.46 0.00 1.94 1.80 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.82 3.92 0.00 3.21 3.51 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.91 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.98 3.70 0.00 1.34 1.67 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.00 66 D 7.98 4.51 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.97 4.03 0.00 3.21 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.56 4.37 0.00 3.08 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.07 3.71 2.21 0.00 0.00 0.00 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 1.00 0.00 0.00 70 A 7.91 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.68 4.08 0.00 3.22 3.36 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.67 4.39 0.00 1.98 1.88 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 73 L 8.39 4.56 0.00 2.08 1.38 0.86 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.81 3.75 0.00 3.16 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 10.10 4.78 0.00 2.79 2.89 0.00 0.00 6.76 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.07 4.61 0.00 3.80 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 77 L 7.07 3.59 0.00 1.52 1.42 0.42 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.42 4.15 0.00 1.80 1.59 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.38 7.81