NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.7262 8.1401 118.3374 57.5496 39.2031 174.3723 2 A 4.0387 8.4064 125.6562 51.1684 19.0987 174.1234 3 E 3.9299 8.8522 122.7428 58.3689 30.8719 176.0506 4 G 3.9546 9.1213 110.8296 45.8885 0.0000 173.5947 5 T 4.6009 7.2871 110.1279 59.6857 72.1423 175.3646 6 F 4.2101 8.6436 123.8400 61.7987 39.5191 177.3350 7 I 3.1157 7.5902 117.5426 63.5291 37.5948 177.7116 8 S 4.0859 7.5967 114.2825 61.4928 62.3181 175.7378 9 D 4.3158 8.2095 121.8493 57.4923 40.5588 178.2968 10 Y 3.6851 8.0646 120.4703 60.6658 38.6997 178.2990 11 S 4.2469 8.1182 115.1744 61.5199 63.0482 176.5009 12 I 3.6742 8.0942 123.4191 63.9923 36.4323 178.2288 13 A 3.8999 7.8604 121.6338 55.4216 18.1568 179.6278 14 M 3.8196 7.8564 117.1955 58.4722 31.9174 178.4911 15 D 4.2993 8.3530 118.5083 57.2258 41.4031 178.3915 16 K 3.9365 8.1457 119.0372 59.4743 31.9465 179.3519 17 I 3.6949 7.3859 119.5051 64.7412 37.0251 178.0364 18 H 4.2466 8.2087 117.0982 59.1311 28.5082 177.7701 19 Q 4.1146 8.4037 119.8679 59.1749 28.5100 178.8068 20 Q 4.0310 8.0465 120.0312 59.1270 29.0741 177.7830 21 D 4.4429 8.4710 120.3050 57.3836 40.8127 178.6199 22 F 4.4565 8.5049 121.0732 61.4059 39.3546 177.2930 23 V 3.3455 7.8732 117.8675 66.0401 31.3309 177.5446 24 N 4.2950 8.5527 116.5874 56.2498 38.1769 177.1805 25 W 4.1141 8.2442 128.5448 60.3148 31.2217 177.7043 26 L 3.9886 8.2835 119.2148 57.8081 41.1838 179.4373 27 L 3.8984 8.0828 118.8061 57.7817 41.2106 179.3938 28 A 4.0923 7.9208 119.8970 54.4308 18.2160 179.5370 29 Q 3.5986 7.4376 116.6967 58.3334 28.3493 178.4830 30 K 3.8951 7.3071 119.1568 59.5007 32.3502 178.7282 31 G 3.5825 7.3268 102.9393 45.7525 0.0000 173.5174 32 K 4.2133 7.7695 125.3295 56.6484 32.5195 176.0585 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 Y 8.14 4.73 0.00 3.01 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 2 A 8.41 4.04 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 3 E 8.85 3.93 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 4 G 9.12 3.95 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 0.00 0.00 0.00 5 T 7.29 4.60 4.27 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 1.27 0.00 0.00 6 F 8.64 4.21 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.59 3.12 1.58 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.59 0.50 0.00 0.00 8 S 7.60 4.09 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.21 4.32 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 10 Y 8.06 3.69 0.00 2.30 2.51 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 11 S 8.12 4.25 0.00 4.26 4.28 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 12 I 8.09 3.67 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 0.90 0.00 0.00 13 A 7.86 3.90 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 14 M 7.86 3.82 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.35 0.00 15 D 8.35 4.30 0.00 2.84 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 16 K 8.15 3.94 0.00 1.97 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.61 7.81 17 I 7.39 3.69 1.93 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 1.48 0.70 0.94 0.00 0.00 18 H 8.21 4.25 0.00 3.33 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.40 4.11 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 20 Q 8.05 4.03 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 21 D 8.47 4.44 0.00 3.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.50 4.46 0.00 3.00 3.27 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 23 V 7.87 3.35 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 1.02 0.00 0.00 0.95 0.00 0.00 24 N 8.55 4.30 0.00 3.02 2.92 0.00 0.00 6.70 7.39 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 25 W 8.24 4.11 0.00 3.40 3.46 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 26 L 8.28 3.99 0.00 1.72 1.56 0.34 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.08 3.90 0.00 1.80 1.66 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.92 4.09 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 29 Q 7.44 3.60 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 30 K 7.31 3.90 0.00 1.73 1.77 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 31 G 7.33 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.77 4.21 0.00 1.85 1.95 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.36 7.81