NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 5.1254 8.5598 116.5493 59.1786 64.0940 171.3811 4 C 4.4452 8.0161 116.1081 54.1489 44.1772 169.3313 5 E 4.3985 9.2575 119.6782 55.1769 30.2257 176.2984 6 P 5.0265 0.0000 0.0000 63.8124 31.7180 176.6875 7 G 4.0418 8.6665 111.8485 45.0227 0.0000 173.6350 8 K 4.3021 8.3011 122.4156 56.5286 33.5343 175.8549 9 T 4.8728 8.5597 117.6786 60.5534 70.0960 173.2645 10 F 5.2744 8.4320 123.0872 54.7979 41.5137 173.7969 11 K 4.9307 9.0611 116.1083 55.2816 35.3478 176.1841 12 D 5.2956 8.6053 122.7228 52.9070 42.7791 174.7334 13 K 3.6254 8.5266 113.1704 59.1621 32.0112 175.3697 14 C 4.8846 8.4497 115.8937 55.3779 41.4398 173.7250 15 N 5.2470 7.8218 118.0087 51.9743 41.5345 173.3180 16 T 4.8062 8.0214 111.5932 60.4306 71.2260 173.0205 17 C 5.2891 8.5247 121.7914 54.9635 41.7032 173.1657 18 R 4.9172 8.5895 118.8456 54.2690 33.1824 174.4870 19 C 4.8705 9.4065 125.8140 56.6675 44.4820 173.6055 20 G 4.2567 8.9956 112.8799 45.5254 0.0000 174.0728 21 A 4.3213 8.6309 120.0396 52.9844 18.3320 177.6857 22 D 4.7705 7.8385 114.8496 52.2907 40.6137 176.4405 23 G 4.1077 8.0716 106.0404 45.2174 0.0000 174.6151 24 K 4.2250 8.0112 120.3438 56.3646 33.6951 175.3532 25 S 5.0351 7.1901 110.6355 56.9926 66.6500 172.5055 26 A 5.0250 8.1971 118.7694 51.4892 22.0350 175.5138 27 A 4.7453 8.5778 120.7550 50.4632 21.6942 175.0719 28 C 5.7654 8.8549 118.5095 53.8039 44.7755 173.8591 29 T 4.2527 8.3955 110.4233 61.0568 69.6905 174.2662 30 L 4.7521 7.9374 120.1526 54.1666 42.2983 177.2981 31 K 4.2164 8.5308 117.4550 55.8496 33.1441 177.0114 32 A 4.4606 8.2842 124.1481 51.4242 19.5448 177.6327 33 C 5.0376 8.4008 119.6647 54.2834 42.6733 173.4174 34 P 3.7929 0.0000 0.0000 64.4913 31.4303 175.8537 35 N 4.4831 7.4942 122.4282 53.7068 38.7817 174.1634 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 3 S 8.56 5.13 0.00 3.72 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 4 C 8.02 4.45 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.26 4.40 0.00 1.96 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 2.37 2.30 0.00 6 P 0.00 5.03 0.00 2.04 2.01 0.00 3.73 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 7 G 8.67 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 4.30 0.00 1.86 2.00 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.46 7.81 9 T 8.56 4.87 4.20 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 0.00 0.00 0.00 1.20 0.00 0.00 10 F 8.43 5.27 0.00 3.16 3.20 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 0.00 0.00 0.00 0.00 11 K 9.06 4.93 0.00 1.69 1.76 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.40 7.81 12 D 8.61 5.30 0.00 2.61 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 13 K 8.53 3.63 0.00 1.80 1.69 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.48 7.81 14 C 8.45 4.88 0.00 3.04 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 15 N 7.82 5.25 0.00 2.62 2.69 0.00 0.00 6.71 7.05 0.00 0.00 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 T 8.02 4.81 4.14 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 1.17 0.00 0.00 17 C 8.52 5.29 0.00 1.23 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 18 R 8.59 4.92 0.00 1.63 1.78 0.00 3.10 0.00 0.00 3.06 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 19 C 9.41 4.87 0.00 3.30 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.00 4.26 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 0.00 21 A 8.63 4.32 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.84 4.77 0.00 2.79 2.85 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 0.00 0.00 0.00 23 G 8.07 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 24 K 8.01 4.22 0.00 1.73 2.16 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.40 7.81 25 S 7.19 5.04 0.00 3.90 3.97 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 0.00 0.00 0.00 26 A 8.20 5.02 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 27 A 8.58 4.75 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.85 5.77 0.00 2.76 2.87 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 29 T 8.40 4.25 4.21 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 1.17 0.00 0.00 30 L 7.94 4.75 0.00 1.61 1.67 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.53 4.22 0.00 1.88 1.73 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.37 7.81 32 A 8.28 4.46 1.23 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 0.00 0.00 0.00 33 C 8.40 5.04 0.00 2.97 2.97 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 0.00 0.00 0.00 34 P 0.00 3.79 0.00 2.18 2.18 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 35 N 7.49 4.48 0.00 2.55 2.73 0.00 0.00 7.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00