NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3081 8.3344 116.7761 58.7689 64.1149 172.7908 2 S 4.2972 8.4955 118.9974 56.3295 62.0770 170.8589 3 D 4.8892 8.1018 118.6073 51.5452 44.1575 173.7103 4 F 4.7109 9.5679 116.5255 55.9082 41.9646 174.6643 5 C 4.8168 8.7468 121.9385 59.0579 29.4649 173.3978 6 C 4.4144 9.4223 124.3327 58.5234 31.5773 172.3884 7 P 4.5467 0.0000 0.0000 63.8454 30.9202 176.6128 8 K 4.5064 7.9402 116.9523 56.7919 33.6643 174.7662 9 C 4.8503 7.9975 115.2707 58.7432 32.2351 173.5087 10 Q 4.4624 8.5542 116.3484 56.4071 28.7893 174.8493 11 Y 4.3543 7.8401 121.6747 57.7067 40.0999 173.9675 12 Q 4.9541 7.8255 123.5430 54.2519 31.3043 174.2808 13 A 4.7647 8.9628 125.4839 49.4221 20.9263 176.3062 14 P 4.1657 0.0000 0.0000 64.8946 32.0490 176.5024 15 D 5.0507 7.7849 117.2136 51.7637 45.7478 175.4956 16 M 3.5833 8.4034 122.2623 58.1921 31.1975 178.3069 17 D 4.2495 8.8661 119.6837 57.3614 41.3072 178.3188 18 T 3.9086 7.8522 115.9481 66.5232 68.5202 176.2278 19 L 4.0911 8.1367 122.3321 58.2050 42.0470 178.7961 20 Q 4.0470 8.2448 119.6780 59.1807 28.7052 178.3474 21 I 3.7181 7.5138 120.3206 64.1755 37.1858 177.5714 22 H 4.1883 8.1445 118.5610 59.5245 29.8668 177.5422 23 V 3.5949 8.1475 113.3080 62.3726 32.7299 176.1338 24 M 2.8526 8.5470 116.2336 56.6433 30.4580 175.8909 25 E 2.8834 7.2999 119.0266 55.5819 29.1434 173.0522 26 F 4.9652 7.7921 116.0865 57.2727 43.0194 174.5071 27 I 4.4580 8.4816 119.2070 61.3213 37.1329 176.0758 28 E 4.3099 8.1903 125.9743 56.5841 29.9513 175.8152 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 S 8.33 4.31 0.00 3.69 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 4.30 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.89 0.00 2.75 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 4 F 9.57 4.71 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.75 4.82 0.00 2.89 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 6 C 9.42 4.41 0.00 3.11 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 2.20 2.15 0.00 3.89 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 1.98 1.94 0.00 8 K 7.94 4.51 0.00 1.82 1.91 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.46 7.81 9 C 8.00 4.85 0.00 3.13 2.93 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 10 Q 8.55 4.46 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 11 Y 7.84 4.35 0.00 3.12 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 12 Q 7.83 4.95 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.44 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 13 A 8.96 4.76 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 2.22 2.20 0.00 3.77 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 15 D 7.78 5.05 0.00 2.81 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 16 M 8.40 3.58 0.00 0.51 1.66 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 17 D 8.87 4.25 0.00 2.73 2.83 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 18 T 7.85 3.91 4.48 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 0.00 0.00 0.00 1.32 0.00 0.00 19 L 8.14 4.09 0.00 1.89 1.86 1.18 0.67 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 20 Q 8.24 4.05 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.17 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 21 I 7.51 3.72 2.03 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 1.38 0.91 0.89 0.00 0.00 22 H 8.14 4.19 0.00 3.09 3.50 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.15 3.59 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 1.02 0.00 0.00 0.98 0.00 0.00 24 M 8.55 2.85 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 25 E 7.30 2.88 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 26 F 7.79 4.97 0.00 3.04 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 4.46 1.92 0.00 0.00 0.88 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 0.61 0.93 0.00 0.00 28 E 8.19 4.31 0.00 1.89 1.78 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 2.19 2.29 0.00