NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4312 8.3231 116.7956 58.5208 65.0258 173.8343 2 G 3.6175 7.8571 108.6551 44.5285 0.0000 170.7201 3 S 4.6399 8.1093 116.6512 57.9346 65.1453 172.5325 4 W 4.5778 7.0074 114.9116 56.6974 31.2150 173.8437 5 L 4.0216 8.5484 113.9055 54.4164 40.6121 177.8078 6 R 2.0000 6.1881 122.2886 59.1263 30.3181 177.0630 7 D 4.4439 7.5475 117.7249 57.1581 40.6290 178.2843 8 I 3.8110 7.3507 119.2896 63.7645 37.8237 177.4746 9 W 4.4844 8.3285 116.6143 58.6287 27.9962 177.6341 10 D 4.1107 8.8719 120.2769 56.8486 40.5109 177.6750 11 W 4.5075 8.0593 128.3729 60.0268 30.8747 177.1874 12 I 3.1795 7.1877 118.5310 62.9462 37.1639 177.4325 13 C 3.9023 7.8252 118.9267 62.2202 31.5819 174.9142 14 E 3.9659 8.4315 121.3847 59.2040 29.0089 178.9247 15 V 3.6512 7.4220 117.2793 65.1843 32.0803 176.0275 16 L 4.2649 7.7212 119.9283 55.3727 42.4721 178.1634 17 S 4.0229 7.8334 111.8472 62.2832 62.3690 175.3643 18 D 4.3841 8.0995 120.2912 57.4284 41.0982 177.8305 19 F 4.0636 8.2492 120.7010 60.8613 39.3860 177.0100 20 K 4.0052 8.1474 119.4484 59.8710 32.2243 178.8560 21 T 3.8487 7.9650 116.0461 66.4657 68.4808 176.3076 22 W 4.0258 8.1814 130.0525 60.4956 30.6804 178.1102 23 L 3.3255 7.9319 118.6511 57.3437 40.8634 179.3018 24 K 3.8592 8.6539 119.7451 59.3107 31.8071 178.7263 25 A 3.9038 7.4707 120.1904 54.7585 18.4618 179.2277 26 K 3.7588 7.1708 116.8511 59.2087 32.2285 178.5752 27 L 4.0833 7.8779 120.2592 56.3714 42.0997 176.7126 28 M 3.9885 7.0490 119.5658 54.6398 32.3264 174.3559 29 P 4.5299 0.0000 0.0000 61.5669 33.1335 175.1900 30 Q 4.0270 8.3425 119.4241 56.3842 29.3713 175.8089 31 L 4.2322 8.1839 125.6205 55.4016 42.3678 175.4060 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 8.32 4.43 0.00 3.87 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 2 G 7.86 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.64 0.00 3.91 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 4 W 7.01 4.58 0.00 3.57 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 5 L 8.55 4.02 0.00 1.97 1.62 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 6 R 6.19 2.00 0.00 0.94 1.33 0.00 2.94 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.16 0.00 7 D 7.55 4.44 0.00 2.68 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 8 I 7.35 3.81 1.83 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 1.16 0.00 0.00 9 W 8.33 4.48 0.00 3.88 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.87 4.11 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 11 W 8.06 4.51 0.00 3.35 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 7.19 3.18 1.63 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.54 0.69 0.00 0.00 13 C 7.83 3.90 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.43 3.97 0.00 2.17 1.92 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 2.31 2.28 0.00 15 V 7.42 3.65 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 16 L 7.72 4.26 0.00 1.72 1.49 0.73 0.84 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 17 S 7.83 4.02 0.00 4.20 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 18 D 8.10 4.38 0.00 2.77 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 19 F 8.25 4.06 0.00 3.13 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 4.01 0.00 2.11 1.92 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.51 7.81 21 T 7.96 3.85 4.42 0.00 0.00 0.00 0.00 0.00 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 22 W 8.18 4.03 0.00 3.33 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 23 L 7.93 3.33 0.00 2.01 1.61 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.65 3.86 0.00 1.86 1.83 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.57 7.81 25 A 7.47 3.90 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.17 3.76 0.00 1.04 1.26 0.00 0.81 0.00 0.00 0.97 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.12 1.12 7.81 27 L 7.88 4.08 0.00 1.61 1.57 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.05 3.99 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 29 P 0.00 4.53 0.00 2.19 2.04 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 30 Q 8.34 4.03 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 31 L 8.18 4.23 0.00 1.53 1.41 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00