NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4566 8.3044 120.3514 55.2186 33.2594 174.4671 2 K 4.4330 8.3813 126.3815 54.1413 35.3624 169.6608 3 V 4.4862 8.1394 124.0569 61.1538 36.2164 174.5653 4 R 4.2568 8.3697 123.4045 55.9080 28.7579 176.3855 5 A 4.7324 7.5192 119.9682 50.7561 22.7396 177.0986 6 S 4.6812 8.3414 117.6344 56.0490 62.9616 174.0971 7 V 3.5729 7.7270 112.5854 61.8118 31.9776 176.3260 8 K 4.6896 8.2225 123.3217 54.3003 35.1503 176.3184 9 R 4.0468 8.4324 119.2184 57.0286 30.5412 175.7430 10 I 4.1712 8.1903 119.9401 62.4949 39.2200 175.8748 11 C 4.9402 7.3705 114.5020 56.7829 32.0789 173.9030 12 D 4.9469 8.5905 121.4192 55.2447 40.1618 177.0211 13 K 4.7540 7.9429 118.9728 55.9337 34.8297 176.1785 14 C 4.7145 8.1902 114.7097 57.8312 31.2388 173.3065 15 K 4.6056 9.2070 120.0433 54.6836 35.7952 175.5211 16 V 4.3205 8.5283 125.3564 62.5428 32.1195 175.5795 17 I 4.3704 9.1670 130.0011 60.5189 39.4530 175.1094 18 R 4.6544 8.2578 121.8291 54.8004 32.9854 174.7773 19 R 4.5352 8.7212 126.9604 55.2181 32.3001 172.3131 20 H 4.1855 9.0279 110.4567 57.2997 27.7386 174.1696 21 G 3.9798 8.3304 106.4567 45.8741 0.0000 170.5580 22 R 4.7404 7.4010 117.2795 54.1225 33.9490 174.9927 23 V 4.4750 7.8602 118.7479 61.4250 35.4316 173.5763 24 Y 5.3580 8.2338 122.2503 56.3999 42.7348 174.9033 25 V 4.7452 9.3130 121.3323 61.1655 33.4332 173.4772 26 I 4.7465 8.4552 120.7172 59.4356 39.7963 174.4019 27 C 5.1430 8.3066 123.3257 58.1576 34.2193 173.1987 28 E 3.9941 8.9597 123.8911 59.0632 29.7225 177.1489 29 N 4.4581 7.9705 118.3456 52.3467 39.7552 173.7614 30 P 4.3354 0.0000 0.0000 65.4614 31.7252 178.3704 31 K 4.1461 7.9171 117.0769 58.7398 31.9900 177.0486 32 H 4.9442 7.8307 115.0242 55.4267 29.4683 176.2757 33 K 4.5649 7.9978 120.1989 56.1970 31.3678 175.7070 34 Q 4.9438 8.6598 128.4949 54.9664 33.2572 174.1880 35 R 4.9170 8.1628 114.3063 55.4377 31.6921 174.8918 36 Q 3.9556 8.8294 126.5324 57.1429 29.9814 176.4915 37 G 4.1113 8.7063 112.8087 45.9871 0.0000 173.2350 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 4.46 0.00 2.02 2.08 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 2.50 2.56 0.00 2 K 8.38 4.43 0.00 1.78 1.60 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.49 7.81 3 V 8.14 4.49 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 0.86 0.00 0.00 0.93 0.00 0.00 4 R 8.37 4.26 0.00 1.81 1.87 0.00 3.23 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 5 A 7.52 4.73 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 6 S 8.34 4.68 0.00 3.82 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.73 3.57 2.11 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 0.75 0.00 0.00 0.98 0.00 0.00 8 K 8.22 4.69 0.00 1.81 1.75 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.40 7.81 9 R 8.43 4.05 0.00 1.79 1.92 0.00 3.21 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 10 I 8.19 4.17 1.44 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.68 0.00 0.00 11 C 7.37 4.94 0.00 3.12 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.59 4.95 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.94 4.75 0.00 1.68 1.79 0.00 1.56 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.40 7.81 14 C 8.19 4.71 0.00 3.00 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 15 K 9.21 4.61 0.00 1.65 1.71 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.37 7.81 16 V 8.53 4.32 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 0.74 0.00 0.00 0.93 0.00 0.00 17 I 9.17 4.37 1.94 0.00 0.00 0.91 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 1.27 1.00 0.00 0.00 18 R 8.26 4.65 0.00 1.57 1.72 0.00 3.23 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 19 R 8.72 4.54 0.00 1.61 1.67 0.00 3.30 0.00 0.00 3.47 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 20 H 9.03 4.19 0.00 3.24 3.32 0.00 5.91 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 21 G 8.33 3.98 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 0.00 0.00 0.00 22 R 7.40 4.74 0.00 1.78 1.82 0.00 3.26 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 23 V 7.86 4.48 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 0.91 0.00 0.00 0.85 0.00 0.00 24 Y 8.23 5.36 0.00 2.98 2.70 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 0.00 25 V 9.31 4.75 2.25 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 1.07 0.00 0.00 0.94 0.00 0.00 26 I 8.46 4.75 1.90 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 1.33 0.85 0.98 0.00 0.00 27 C 8.31 5.14 0.00 3.01 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 28 E 8.96 3.99 0.00 1.96 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 2.28 2.30 0.00 29 N 7.97 4.46 0.00 2.63 2.25 0.00 0.00 6.89 7.65 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 30 P 0.00 4.34 0.00 2.24 2.27 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 31 K 7.92 4.15 0.00 1.91 1.98 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.47 7.81 32 H 7.83 4.94 0.00 3.14 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.00 4.56 0.00 1.79 1.86 0.00 1.44 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.51 7.81 34 Q 8.66 4.94 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 35 R 8.16 4.92 0.00 2.02 1.97 0.00 3.37 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 36 Q 8.83 3.96 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 5.66 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 37 G 8.71 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