NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3000 8.2649 123.5821 51.6416 20.4611 176.3570 2 V 4.3148 7.2358 105.0365 56.8055 35.5056 173.1690 3 Q 3.8495 8.8825 118.4707 57.3696 28.7223 176.6381 4 Q 4.2737 8.6403 122.8970 56.2638 29.5681 174.6755 5 N 4.8338 7.4871 114.0187 52.5921 41.9304 173.4341 6 K 4.1869 8.5942 126.8668 55.4838 32.5524 174.8006 7 P 4.3649 0.0000 0.0000 63.2580 31.7724 175.6450 8 T 4.6788 8.0221 109.6207 60.5543 71.4737 174.6058 9 R 3.9658 8.3170 116.0525 58.8720 30.0473 178.3100 10 S 4.0749 7.8958 113.6134 61.1354 62.5241 175.8569 11 K 4.0884 8.0912 122.4671 59.1528 31.6705 178.8030 12 R 3.9475 7.4042 118.2876 59.2835 30.3549 178.2855 13 G 3.8395 8.1286 105.3904 48.2867 0.0000 175.0579 14 M 3.9947 8.4611 122.1952 58.2955 31.8905 178.8037 15 R 4.1109 8.2766 116.3331 58.2365 30.3254 177.5739 16 R 5.0054 8.7351 118.9648 57.5347 30.2806 179.3892 17 S 4.0267 7.5858 113.5159 61.7353 63.2150 175.9747 18 H 4.4194 8.0712 116.7725 56.5735 28.8348 175.1780 19 D 4.7482 10.1859 119.7547 54.1095 40.6503 175.9561 20 A 4.3651 7.3516 122.1489 52.0966 19.0714 179.4827 21 L 4.4281 8.0855 122.4313 54.3797 43.7491 176.0039 22 T 4.6349 8.0279 112.2650 60.8668 70.7946 175.6880 23 A 4.3804 8.2650 128.2659 51.7506 20.1032 176.5817 24 V 4.1680 8.1557 111.9268 62.4967 33.9043 176.3670 25 T 3.1239 8.0926 113.7694 64.7291 64.6099 171.1051 26 S 3.8195 8.1327 119.0693 57.8704 62.6460 171.2844 27 L 4.9812 7.9750 119.7177 53.1878 45.8215 176.8728 28 S 4.8066 8.1936 115.2849 57.8522 66.1499 172.8608 29 V 5.5654 7.9290 117.5243 60.4789 33.4936 174.1941 30 D 4.3644 8.7327 123.8278 54.0133 41.8592 176.6503 31 K 3.8283 8.9104 126.1608 60.0628 31.6277 177.6044 32 T 3.6301 7.5435 111.8937 67.1215 69.1418 178.2239 33 S 4.3815 6.7746 124.2901 58.4017 64.7728 175.6608 34 G 4.1131 8.2761 115.4817 46.1052 0.0000 171.7895 35 E 4.3930 7.9612 120.2315 55.1388 30.9515 175.8207 36 K 5.4894 8.9492 124.6639 56.1984 33.6712 175.8379 37 H 5.1657 8.8397 119.9976 52.8945 32.2699 172.5623 38 L 4.0666 8.6824 119.3964 55.0153 42.4797 176.8521 39 R 3.7628 8.4562 124.1294 58.7352 30.1951 175.6958 40 H 4.4056 10.1901 121.0266 56.1382 25.6485 173.7802 41 H 5.0201 7.9604 113.6510 54.8645 31.3314 171.9250 42 I 4.4363 7.9314 119.8781 59.9785 38.5580 176.1911 43 T 4.1998 8.2459 114.4508 61.0640 69.3959 175.3462 44 A 4.1332 8.5002 124.1784 54.3923 18.4831 178.0505 45 D 4.8833 7.6696 113.0467 53.4985 41.8143 177.2451 46 G 3.8346 8.2142 108.2510 45.3732 0.0000 173.1075 47 Y 4.4485 8.1454 117.6447 57.2857 38.5288 173.6416 48 Y 5.1528 7.7805 119.8730 57.7404 43.7766 176.0204 49 R 4.6185 7.9638 117.1418 56.1562 30.6125 175.0679 50 G 3.9297 9.3011 115.1930 46.9087 0.0000 171.3087 51 R 4.7004 7.5272 113.6914 54.0538 34.3052 174.2791 52 K 4.2704 8.4706 121.3984 55.0979 34.8350 174.9846 53 V 4.1904 8.0758 120.0412 61.8334 32.5762 178.9512 54 I 3.2499 8.1167 114.4160 62.3392 39.6245 175.6277 55 A 4.7487 9.0279 130.1652 53.1247 19.3841 177.6476 56 K 4.0961 7.4500 119.5255 56.9650 32.1107 176.9007 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 A 8.26 4.30 1.31 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 0.00 0.00 2 V 7.24 4.31 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00 3 Q 8.88 3.85 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 4 Q 8.64 4.27 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 5 N 7.49 4.83 0.00 2.67 2.61 0.00 0.00 7.02 6.68 0.00 0.00 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 8.59 4.19 0.00 1.75 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 7 P 0.00 4.36 0.00 2.08 2.00 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 8 T 8.02 4.68 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 R 8.32 3.97 0.00 2.05 2.21 0.00 2.96 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 10 S 7.90 4.07 0.00 3.91 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 11 K 8.09 4.09 0.00 1.93 1.78 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.49 7.81 12 R 7.40 3.95 0.00 1.75 2.12 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 13 G 8.13 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.46 3.99 0.00 2.02 2.27 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 2.79 2.58 0.00 15 R 8.28 4.11 0.00 1.80 2.20 0.00 3.25 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 16 R 8.74 5.01 0.00 2.04 1.95 0.00 3.33 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 17 S 7.59 4.03 0.00 4.06 4.08 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 18 H 8.07 4.42 0.00 3.16 3.40 0.00 5.69 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 10.19 4.75 0.00 2.78 2.66 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 20 A 7.35 4.37 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 21 L 8.09 4.43 0.00 1.65 1.66 0.92 0.78 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 22 T 8.03 4.63 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 23 A 8.27 4.38 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 24 V 8.16 4.17 2.08 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 0.87 0.00 0.00 0.93 0.00 0.00 25 T 8.09 3.12 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 1.21 0.00 0.00 26 S 8.13 3.82 0.00 4.01 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.98 0.00 1.48 1.68 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.19 4.81 0.00 3.92 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 29 V 7.93 5.57 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.98 0.00 0.00 30 D 8.73 4.36 0.00 2.72 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 31 K 8.91 3.83 0.00 1.77 1.87 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 32 T 7.54 3.63 4.36 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 1.22 0.00 0.00 33 S 6.77 4.38 0.00 3.54 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 4.11 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 0.00 35 E 7.96 4.39 0.00 1.93 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 2.37 2.22 0.00 36 K 8.95 5.49 0.00 1.79 1.85 0.00 1.13 0.00 0.00 2.42 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.30 7.81 37 H 8.84 5.17 0.00 3.37 3.45 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.68 4.07 0.00 0.81 1.40 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.46 3.76 0.00 1.70 1.86 0.00 3.23 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 40 H 10.19 4.41 0.00 3.33 3.64 0.00 5.93 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.96 5.02 0.00 3.28 3.32 0.00 5.54 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.93 4.44 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.65 0.85 0.00 0.00 43 T 8.25 4.20 4.31 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 1.20 0.00 0.00 44 A 8.50 4.13 1.33 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 0.00 0.00 45 D 7.67 4.88 0.00 3.21 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.21 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 0.00 0.00 0.00 47 Y 8.15 4.45 0.00 3.23 3.21 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 48 Y 7.78 5.15 0.00 2.91 2.81 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 49 R 7.96 4.62 0.00 1.88 1.71 0.00 2.37 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 50 G 9.30 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.53 4.70 0.00 1.94 1.82 0.00 3.22 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 52 K 8.47 4.27 0.00 1.65 1.57 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.66 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.56 0.76 7.81 53 V 8.08 4.19 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 0.69 0.00 0.00 0.86 0.00 0.00 54 I 8.12 3.25 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.40 0.85 0.00 0.00 55 A 9.03 4.75 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 56 K 7.45 4.10 0.00 1.78 1.73 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.37 7.81