NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.1559 8.4449 120.3657 56.0214 30.9936 172.0454 3 Y 4.6331 7.1414 118.6955 56.0531 39.1110 172.4651 4 E 4.2771 9.3539 122.2258 56.4771 31.1664 176.1477 5 E 4.6436 8.6112 120.5782 55.0723 33.6383 174.9271 6 G 3.8385 8.8338 105.9702 43.6015 0.0000 171.2909 7 P 4.2716 0.0000 0.0000 64.2243 31.4289 177.4613 8 G 3.8505 8.8449 109.7459 45.7455 0.0000 173.7965 9 K 4.4264 8.0257 117.4407 55.9449 34.0000 176.1234 10 N 4.9144 7.8624 116.0677 52.2876 37.9943 174.6698 11 I 4.5128 7.0757 110.2448 59.4799 40.5919 173.1504 12 P 4.3795 0.0000 0.0000 63.6450 31.7192 175.8127 13 F 4.9555 7.1095 113.3467 54.9115 40.6113 174.2966 14 S 4.5413 8.4863 116.0136 57.5374 63.2450 174.1872 15 V 4.4872 7.9391 119.0728 61.1342 32.3714 176.6781 16 E 3.9769 8.2785 123.8869 58.2363 29.7430 177.0908 17 N 4.9252 7.8496 117.2403 51.0986 41.5922 174.9782 18 K 3.7508 8.3649 127.7683 59.3053 32.6897 179.0094 19 W 4.4256 7.7061 119.9868 59.3275 29.3357 178.3570 20 R 4.0030 8.6524 118.9821 59.1353 29.4156 178.2897 21 L 3.9608 8.1621 120.4978 58.0519 42.0900 178.6408 22 L 3.9473 7.9662 120.0658 58.1622 42.0266 178.8530 23 A 4.0597 8.0912 120.5998 55.3613 18.2521 179.5354 24 M 4.0009 8.1752 117.1283 58.9858 32.0942 178.9765 25 M 4.0624 8.3220 119.0387 58.5795 32.0504 179.0757 26 T 3.9946 8.1832 115.9756 66.6624 68.6034 176.7887 27 L 4.0213 8.0433 120.8681 58.2322 41.5299 178.6730 28 F 4.0973 8.6154 120.9243 61.7133 39.1657 177.0911 29 F 4.2714 8.8083 117.2143 60.3720 38.9239 178.2073 30 G 3.7403 8.5138 105.9115 47.7752 0.0000 175.9448 31 S 4.2538 8.5718 117.4448 61.0399 62.7334 176.8625 32 G 3.5107 7.5483 108.3982 47.6073 0.0000 175.2378 33 F 4.4496 8.3047 121.9950 60.8053 39.8261 176.7856 34 A 4.4585 8.6695 120.5285 54.6259 18.2185 179.0713 35 A 4.0349 8.0134 119.6856 55.4083 18.3254 178.1009 36 P 4.1053 0.0000 0.0000 65.6883 31.3573 178.8397 37 F 3.9332 7.8587 116.0760 60.5795 38.8044 177.4804 38 F 4.0452 8.4748 116.7186 59.9599 38.6348 178.0612 39 I 3.8132 7.8825 120.0542 64.1522 36.9013 178.4421 40 V 3.5229 7.9650 119.3619 65.9270 31.3614 178.0300 41 R 3.8124 7.9963 118.4346 59.5500 29.6668 177.7887 42 H 4.1482 8.1673 117.0609 59.6675 29.6508 176.9339 43 Q 4.0438 8.3791 119.9400 58.9309 27.7971 178.8372 44 L 4.0834 8.1577 120.1179 57.2477 41.4293 178.4484 45 L 4.1937 7.6727 116.2518 55.1822 41.7776 178.0888 46 K 4.2301 7.6194 118.6221 56.1185 32.6100 176.4783 47 K 3.9392 7.0725 124.5191 57.1967 34.0867 173.7219 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 2 H 8.44 4.16 0.00 2.99 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.14 4.63 0.00 3.03 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 4 E 9.35 4.28 0.00 1.96 1.87 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 2.34 2.27 0.00 5 E 8.61 4.64 0.00 1.91 1.81 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 2.25 2.50 0.00 6 G 8.83 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.27 0.00 2.02 2.00 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 8 G 8.84 3.85 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 0.00 0.00 0.00 9 K 8.03 4.43 0.00 1.84 1.78 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.44 7.81 10 N 7.86 4.91 0.00 2.77 2.85 0.00 0.00 5.81 7.81 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 11 I 7.08 4.51 0.84 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.27 0.69 0.00 0.00 12 P 0.00 4.38 0.00 2.20 2.17 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 13 F 7.11 4.96 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.49 4.54 0.00 3.83 3.80 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 15 V 7.94 4.49 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.85 0.00 0.00 16 E 8.28 3.98 0.00 1.91 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 2.31 2.29 0.00 17 N 7.85 4.93 0.00 2.77 2.65 0.00 0.00 6.95 7.10 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 18 K 8.36 3.75 0.00 1.50 1.72 0.00 0.89 0.00 0.00 1.15 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.77 0.21 7.81 19 W 7.71 4.43 0.00 3.61 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.65 4.00 0.00 1.93 1.96 0.00 3.13 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 21 L 8.16 3.96 0.00 1.86 1.67 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.97 3.95 0.00 1.99 2.02 0.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.09 4.06 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.18 4.00 0.00 1.95 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.90 0.00 25 M 8.32 4.06 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.43 0.00 26 T 8.18 3.99 4.61 0.00 0.00 0.00 0.00 0.00 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 27 L 8.04 4.02 0.00 1.90 1.74 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.62 4.10 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.81 4.27 0.00 3.38 3.04 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 30 G 8.51 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.57 4.25 0.00 3.99 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.55 3.51 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 0.00 0.00 0.00 33 F 8.30 4.45 0.00 3.08 3.21 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 34 A 8.67 4.46 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.01 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.11 0.00 1.60 1.84 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 37 F 7.86 3.93 0.00 3.29 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.47 4.05 0.00 3.24 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 39 I 7.88 3.81 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.91 0.00 0.00 40 V 7.96 3.52 2.16 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 0.94 0.00 0.00 0.82 0.00 0.00 41 R 8.00 3.81 0.00 1.82 1.98 0.00 2.93 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 42 H 8.17 4.15 0.00 3.24 3.50 0.00 6.01 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 43 Q 8.38 4.04 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 44 L 8.16 4.08 0.00 1.82 1.69 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.67 4.19 0.00 1.63 1.69 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.62 4.23 0.00 1.82 1.80 0.00 1.47 0.00 0.00 1.45 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.41 7.81 47 K 7.07 3.94 0.00 1.96 1.69 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 1.11 7.81