NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1422 8.0093 120.7867 60.9967 39.1794 174.4994 2 T 4.4834 8.2460 115.4365 59.3514 71.1991 171.6347 3 A 4.7194 8.8729 126.5283 50.3458 23.3523 177.2440 4 K 4.2508 8.3574 119.1180 55.1964 32.9410 175.8573 5 P 4.2709 0.0000 0.0000 62.2479 31.8604 176.2413 6 A 3.9777 8.6074 123.3005 52.8907 18.5046 178.3351 7 K 4.1663 8.7681 122.8401 59.0359 32.8761 177.6931 8 T 4.6356 7.3080 106.8418 58.7758 68.2909 171.2935 9 P 3.9597 0.0000 0.0000 63.8723 32.2879 176.5610 10 T 5.2359 8.4634 119.4155 61.0718 68.4950 175.1816 11 S 4.3375 8.4246 122.0401 57.2548 65.1665 172.8650 12 P 4.1659 0.0000 0.0000 65.9400 31.0980 178.5911 13 K 3.8479 8.0366 117.4731 59.7276 32.0470 178.3990 14 E 3.9798 7.6543 117.9102 59.5442 29.3722 179.4150 15 Q 3.9411 8.3399 117.9651 58.8730 28.7496 178.5788 16 A 3.9784 8.2157 121.9634 55.1562 18.2933 179.7604 17 I 3.6958 7.5728 117.8112 64.5705 37.1806 178.4287 18 G 3.7268 8.2156 106.6009 47.9239 0.0000 174.8041 19 L 3.8734 8.3422 123.5292 57.8641 41.9717 179.2571 20 S 3.9207 7.9719 114.4770 61.7313 62.6245 176.6892 21 V 3.6143 7.8817 119.7986 66.9092 31.4667 177.7415 22 T 4.1210 8.4395 115.4591 66.8532 68.2657 176.2348 23 F 4.0949 9.1610 119.6506 61.0917 39.0668 178.0632 24 L 4.1690 8.5257 118.8070 57.6500 41.1935 179.5942 25 S 4.2445 8.1991 113.5333 61.3509 62.5953 176.0792 26 F 4.2147 8.3800 121.5116 60.0958 39.0354 177.5625 27 L 4.3405 8.7503 118.9013 57.7586 41.4021 180.0011 28 L 4.0585 8.2290 119.0070 57.4582 41.8510 177.5729 29 P 4.3091 0.0000 0.0000 65.4660 31.2363 178.5588 30 A 4.1492 7.7736 120.1437 55.2824 18.4901 179.6087 31 G 3.8932 8.2705 104.0755 48.2813 0.0000 175.0788 32 W 4.2243 8.7577 130.5712 60.2471 30.5723 177.9753 33 V 3.8567 8.2246 117.9337 66.4411 31.1640 178.0415 34 L 4.1748 8.5989 117.6850 57.6520 41.6745 178.7981 35 Y 4.1130 7.8346 119.5697 60.8665 38.3366 177.3232 36 H 4.0543 7.4694 117.2221 54.9610 29.1848 177.5484 37 L 3.9255 7.3208 124.7253 58.4088 42.1221 178.0594 38 D 4.2328 7.7212 117.3586 57.4583 40.8982 177.7758 39 N 4.3299 7.7173 116.0758 55.7116 38.1700 176.6761 40 Y 4.4865 6.8173 116.8687 60.5125 38.5227 177.2623 41 K 4.2618 7.6953 117.9963 58.1591 33.0511 177.5179 42 K 4.4619 7.1649 121.2092 54.2141 32.1638 175.8928 43 S 4.2177 8.1538 119.2301 58.6996 63.7132 174.8632 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 I 8.01 4.14 1.87 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 1.47 1.35 0.91 0.00 0.00 2 T 8.25 4.48 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 8.87 4.72 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.36 4.25 0.00 1.76 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.27 0.00 2.03 1.99 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 6 A 8.61 3.98 1.28 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 0.00 0.00 7 K 8.77 4.17 0.00 1.76 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.31 4.64 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 9 P 0.00 3.96 0.00 2.06 2.06 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 10 T 8.46 5.24 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 11 S 8.42 4.34 0.00 4.04 3.99 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 0.00 0.00 0.00 12 P 0.00 4.17 0.00 2.16 2.16 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 13 K 8.04 3.85 0.00 1.77 1.80 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 14 E 7.65 3.98 0.00 2.33 1.98 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 2.32 2.35 0.00 15 Q 8.34 3.94 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 16 A 8.22 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.57 3.70 2.07 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 1.44 0.90 0.91 0.00 0.00 18 G 8.22 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.34 3.87 0.00 1.69 1.66 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.97 3.92 0.00 3.99 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 21 V 7.88 3.61 2.26 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 0.87 0.00 0.00 1.00 0.00 0.00 22 T 8.44 4.12 4.70 0.00 0.00 0.00 0.00 0.00 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 23 F 9.16 4.09 0.00 3.05 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 24 L 8.53 4.17 0.00 1.88 1.78 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.20 4.24 0.00 4.06 4.07 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 26 F 8.38 4.21 0.00 3.22 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 27 L 8.75 4.34 0.00 1.80 1.81 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.23 4.06 0.00 1.82 1.75 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.31 0.00 2.18 2.11 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 30 A 7.77 4.15 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.27 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.76 4.22 0.00 3.63 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 3.86 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 1.08 0.00 0.00 1.33 0.00 0.00 34 L 8.60 4.17 0.00 1.91 1.79 0.99 1.13 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 35 Y 7.83 4.11 0.00 3.17 2.95 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 0.00 0.00 0.00 36 H 7.47 4.05 0.00 2.15 2.30 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.32 3.93 0.00 1.84 1.57 0.92 1.27 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 38 D 7.72 4.23 0.00 2.62 2.46 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 39 N 7.72 4.33 0.00 2.44 2.64 0.00 0.00 7.11 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 6.82 4.49 0.00 3.11 2.89 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 0.00 0.00 0.00 41 K 7.70 4.26 0.00 1.73 1.91 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.69 7.81 42 K 7.16 4.46 0.00 1.73 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.40 7.81 43 S 8.15 4.22 0.00 3.97 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00