NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3703 8.3001 120.3278 54.9747 33.4644 173.9832 2 A 4.1179 8.3535 122.8494 51.3260 19.5254 175.2859 3 A 4.9193 7.7784 128.3291 50.9296 22.0370 174.7919 4 Q 4.1756 8.7521 116.2405 56.2845 27.7980 179.3597 5 K 3.8783 7.8211 127.5472 55.5311 32.8982 177.1210 6 S 5.3954 8.1508 129.1996 58.1050 64.0581 177.0089 7 F 4.7388 8.2649 127.2908 61.3702 38.7694 177.4250 8 R 3.7778 8.0931 118.1497 59.4236 29.8499 178.3876 9 I 3.7256 7.3668 119.9750 64.2045 37.1985 178.2892 10 K 4.0973 8.0862 120.0325 59.6089 32.1049 178.7276 11 Q 3.9042 7.7719 118.7307 58.6191 28.1618 178.6577 12 K 4.1050 7.8051 119.0945 59.6192 32.7505 179.1062 13 M 4.1111 7.7696 118.6458 57.8960 31.5467 178.4156 14 A 4.0100 7.8408 121.0116 54.9273 18.5222 179.6115 15 K 3.8465 7.9727 117.5960 59.5633 32.1730 178.9697 16 A 4.0343 7.6812 120.5773 54.9264 18.0042 179.5368 17 K 3.9287 7.6824 117.4550 59.3725 32.3114 178.7998 18 K 4.0900 7.3737 118.9937 59.4912 32.3616 178.2738 19 Q 4.1020 8.1343 117.1227 56.7449 29.4712 174.9278 20 N 3.9768 6.8439 117.2565 53.2074 40.0258 173.9300 21 R 4.1678 8.2673 123.1636 54.9612 31.1578 175.4804 22 P 3.6257 0.0000 0.0000 64.1540 27.6490 173.2161 23 L 4.2506 7.6737 131.3391 55.3978 49.4056 174.7080 24 P 4.8718 0.0000 0.0000 61.7951 30.7046 175.9839 25 Q 4.3963 7.3578 128.6774 57.6061 35.2232 175.3089 26 W 4.0136 4.9900 114.4093 58.3261 29.0216 177.7441 27 I 3.5447 5.7236 118.5967 63.2276 37.2494 177.2897 28 R 3.8766 7.0157 118.5775 58.7389 29.8627 178.0924 29 L 4.1040 7.1726 118.2527 57.1510 41.7387 177.9819 30 R 4.3808 7.7289 114.6285 56.1546 30.9898 175.8504 31 T 4.4618 7.4344 107.8729 60.4497 70.9699 173.2063 32 N 4.2093 8.5687 115.7169 55.0298 35.5172 174.8268 33 N 4.7728 7.8093 111.9146 53.1582 37.9685 174.2192 34 T 3.6248 7.2924 108.4647 60.8839 67.9407 172.6451 35 I 3.4532 8.0280 126.1760 61.3846 38.2699 174.3333 36 R 4.4191 8.2930 125.5585 56.3005 33.1094 173.7560 37 Y 3.6978 8.4659 120.2484 57.9494 39.5898 168.7329 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 M 8.30 4.37 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 A 8.35 4.12 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.78 4.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.75 4.18 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 5.99 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 5 K 7.82 3.88 0.00 1.93 1.19 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.37 7.81 6 S 8.15 5.40 0.00 4.10 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.26 4.74 0.00 3.05 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.09 3.78 0.00 1.91 1.92 0.00 3.23 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 9 I 7.37 3.73 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 0.93 0.00 0.00 10 K 8.09 4.10 0.00 1.95 2.16 0.00 1.86 0.00 0.00 2.13 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.61 1.61 7.81 11 Q 7.77 3.90 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 1.76 1.98 0.00 12 K 7.81 4.11 0.00 1.97 2.03 0.00 1.29 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.47 7.81 13 M 7.77 4.11 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 14 A 7.84 4.01 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 K 7.97 3.85 0.00 1.81 1.80 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 16 A 7.68 4.03 1.41 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 0.00 0.00 0.00 17 K 7.68 3.93 0.00 1.74 1.86 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.60 7.81 18 K 7.37 4.09 0.00 1.64 1.95 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 19 Q 8.13 4.10 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.38 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 20 N 6.84 3.98 0.00 2.91 2.83 0.00 0.00 6.98 8.96 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 21 R 8.27 4.17 0.00 1.88 1.88 0.00 3.33 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 22 P 0.00 3.63 0.00 2.21 2.24 0.00 3.66 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.90 0.00 23 L 7.67 4.25 0.00 1.43 1.54 0.83 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.87 0.00 2.57 1.32 0.00 4.01 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 25 Q 7.36 4.40 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.92 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 26 W 4.99 4.01 0.00 3.67 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 5.72 3.54 1.82 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.10 0.08 0.00 0.00 28 R 7.02 3.88 0.00 1.65 1.91 0.00 3.22 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 29 L 7.17 4.10 0.00 1.68 1.71 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.73 4.38 0.00 1.81 1.98 0.00 3.37 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 31 T 7.43 4.46 4.22 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 1.20 0.00 0.00 32 N 8.57 4.21 0.00 2.89 2.96 0.00 0.00 6.74 8.00 0.00 0.00 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 N 7.81 4.77 0.00 2.71 3.00 0.00 0.00 6.31 7.71 0.00 0.00 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 T 7.29 3.62 4.23 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 1.20 0.00 0.00 35 I 8.03 3.45 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.90 0.00 0.00 36 R 8.29 4.42 0.00 1.90 1.77 0.00 3.41 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 37 Y 8.47 3.70 0.00 3.16 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00