NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4480 8.2649 123.5611 52.0126 19.9560 175.6391 2 F 4.8590 8.7218 117.3703 55.5090 42.5209 173.2823 3 T 4.7268 9.4530 119.3008 62.0278 72.2056 172.1863 4 C 5.3691 8.6826 121.9511 55.4385 40.2709 173.0614 5 H 5.0371 8.8799 118.0046 54.1006 33.0533 172.0155 6 C 5.1981 8.8724 119.2917 57.0374 39.0679 173.2291 7 R 4.7833 9.1113 122.0096 54.6947 34.3855 176.8256 8 R 3.8856 8.8622 120.1745 58.9235 30.3384 177.6224 9 S 4.6968 7.5027 109.0789 56.4589 66.0459 174.2919 10 C 4.3959 8.5202 119.5102 56.6320 42.1273 173.4049 11 Y 4.7171 8.4678 120.8784 58.0499 38.0247 178.0027 12 S 4.2654 8.6425 116.0885 61.1922 63.2131 175.4799 13 T 4.2023 7.9987 109.5592 62.7973 69.2288 174.0186 14 E 4.9600 7.9701 121.6748 55.0088 32.1335 174.5410 15 Y 4.6850 9.1188 123.3201 55.9399 41.5622 174.8864 16 S 4.6598 7.8845 121.2785 57.2771 62.3997 173.8243 17 Y 4.5698 9.0304 134.0647 56.7548 37.1418 174.3345 18 G 3.8613 8.0721 107.3268 44.7015 0.0000 170.6336 19 T 5.0272 8.0561 114.3896 61.9953 70.6584 174.9466 20 C 5.0021 9.0531 126.3141 54.9067 46.2333 172.4752 21 T 4.8621 8.5540 116.9950 60.6834 70.0689 174.3766 22 V 4.0307 9.0669 127.0289 61.8226 32.0533 175.4773 23 M 2.9581 9.6936 129.9808 56.5568 29.4334 178.0184 24 G 3.9219 8.4818 101.7333 45.6525 0.0000 173.1275 25 I 4.5284 7.5760 120.2564 58.6707 39.9773 174.6453 26 N 4.6783 8.9690 122.7709 54.6180 39.0186 173.8451 27 H 4.9858 9.6064 119.7179 54.3121 34.0761 172.0767 28 R 4.8602 9.3818 118.4144 55.1309 32.4565 176.4045 29 F 4.9681 9.3136 126.2248 57.6628 40.2721 173.4415 30 C 5.1946 9.1502 125.3267 55.5522 37.0829 172.5703 31 C 5.5893 9.3572 121.6813 54.9097 39.9042 174.2633 32 L 4.4234 8.6655 121.1966 56.1865 40.4170 175.9020 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 A 8.26 4.45 1.28 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 0.00 0.00 2 F 8.72 4.86 0.00 2.79 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.45 4.73 4.25 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 1.19 0.00 0.00 4 C 8.68 5.37 0.00 2.36 1.62 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 5 H 8.88 5.04 0.00 2.89 3.06 0.00 5.80 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 6 C 8.87 5.20 0.00 2.88 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 R 9.11 4.78 0.00 1.64 1.71 0.00 2.86 0.00 0.00 2.74 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 8 R 8.86 3.89 0.00 1.82 1.98 0.00 3.18 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 9 S 7.50 4.70 0.00 3.92 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 10 C 8.52 4.40 0.00 2.97 3.02 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 11 Y 8.47 4.72 0.00 3.05 2.78 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 0.00 0.00 0.00 12 S 8.64 4.27 0.00 4.01 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 13 T 8.00 4.20 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 14 E 7.97 4.96 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 15 Y 9.12 4.69 0.00 3.08 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 16 S 7.88 4.66 0.00 3.75 3.47 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 17 Y 9.03 4.57 0.00 3.13 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 18 G 8.07 3.86 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 0.00 0.00 0.00 19 T 8.06 5.03 4.23 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 1.28 0.00 0.00 20 C 9.05 5.00 0.00 3.12 3.02 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 21 T 8.55 4.86 4.25 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 1.25 0.00 0.00 22 V 9.07 4.03 1.93 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 0.92 0.00 0.00 0.76 0.00 0.00 23 M 9.69 2.96 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 24 G 8.48 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 0.00 0.00 0.00 25 I 7.58 4.53 2.05 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 1.32 0.68 0.93 0.00 0.00 26 N 8.97 4.68 0.00 2.59 2.79 0.00 0.00 6.91 8.16 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 27 H 9.61 4.99 0.00 3.24 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 9.38 4.86 0.00 1.85 1.84 0.00 3.33 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 29 F 9.31 4.97 0.00 3.08 3.33 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 30 C 9.15 5.19 0.00 2.79 2.98 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 31 C 9.36 5.59 0.00 2.76 2.84 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 32 L 8.67 4.42 0.00 1.70 1.73 0.97 0.85 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