NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3020 8.1593 110.9281 61.6321 70.3577 173.4977 2 T 4.0927 8.0392 111.1646 60.9623 71.1040 173.8217 3 W 4.2438 9.6160 123.1546 59.9452 29.4448 179.9354 4 E 4.3307 8.4358 118.2389 59.3573 29.0287 178.8093 5 A 4.0603 8.1742 120.9313 54.8161 18.4090 179.5121 6 W 4.0512 8.4322 126.9168 60.6702 30.7726 177.8556 7 D 4.3318 8.6260 118.8110 57.5960 40.3486 179.0166 8 R 3.8680 8.1926 118.1565 59.2542 30.0137 179.0358 9 A 3.8781 8.1173 120.4783 55.0737 18.3825 179.6897 10 I 3.4908 7.5326 118.0329 64.4120 37.0736 178.3159 11 A 3.9348 7.9601 121.6123 55.1738 18.0829 179.3065 12 E 3.7199 8.1336 117.4776 59.6731 29.7461 178.5553 13 Y 4.0512 8.0114 116.8618 61.0409 37.9537 178.4458 14 A 3.9921 8.5509 121.8130 55.2835 18.5618 179.5895 15 A 3.9402 8.3765 119.4967 55.2611 18.4297 180.0263 16 R 3.8802 8.1922 116.7615 59.4575 30.0843 179.4445 17 I 3.6908 7.9389 119.4971 64.4340 37.1467 178.0939 18 E 3.8925 8.3269 119.9379 59.1333 29.4159 178.7003 19 A 3.9718 7.9053 120.3375 55.2442 18.4098 179.4344 20 L 4.0322 7.8879 117.4649 58.1029 41.5634 180.0702 21 I 3.7167 7.9475 119.7374 64.4491 37.1941 178.5675 22 R 4.1509 8.6585 120.4567 58.5410 29.8000 178.9986 23 A 3.9367 8.5844 120.5268 55.2859 18.4416 179.6324 24 A 4.4425 8.1792 120.7489 54.8633 17.9423 179.9204 25 Q 3.9538 8.2807 117.0324 58.9856 28.8798 178.6963 26 E 3.9840 8.1559 119.5274 59.4530 29.5827 179.0778 27 Q 4.0076 8.2354 118.2727 59.1012 28.7547 178.9483 28 Q 3.9502 8.1696 120.3445 59.2149 29.0869 178.1702 29 E 3.9437 7.9413 118.9650 59.4203 29.4921 179.3849 30 K 3.8833 7.8352 117.8030 59.6883 32.2014 178.9047 31 N 4.2892 8.3414 116.7077 56.7154 38.3091 177.4098 32 E 4.0109 8.2002 118.0882 58.9831 29.7302 179.1687 33 A 4.0708 7.9917 120.9095 55.1001 18.0853 179.1612 34 A 3.9129 8.1350 120.3716 55.6631 18.4609 179.3304 35 L 4.2027 7.8337 111.5982 55.5533 40.9612 178.6575 36 R 4.0773 7.4120 119.4154 58.4948 30.6714 177.2727 37 E 4.4347 7.7650 118.8973 55.6427 30.1450 176.9298 38 L 4.0877 7.5452 123.4549 56.4377 42.6910 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 T 8.16 4.30 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 2 T 8.04 4.09 4.55 0.00 0.00 0.00 0.00 0.00 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 3 W 9.62 4.24 0.00 3.45 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.33 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 5 A 8.17 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.43 4.05 0.00 3.39 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 7 D 8.63 4.33 0.00 3.07 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 8 R 8.19 3.87 0.00 2.02 1.96 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 9 A 8.12 3.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.53 3.49 1.67 0.00 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.35 0.70 0.00 0.00 11 A 7.96 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.72 0.00 2.17 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 13 Y 8.01 4.05 0.00 2.98 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 14 A 8.55 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.88 0.00 2.07 2.02 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 17 I 7.94 3.69 1.89 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 1.43 0.81 0.92 0.00 0.00 18 E 8.33 3.89 0.00 2.17 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 2.31 2.47 0.00 19 A 7.91 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 4.03 0.00 1.92 1.75 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.95 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 1.52 0.78 0.91 0.00 0.00 22 R 8.66 4.15 0.00 1.95 1.98 0.00 3.14 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 23 A 8.58 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 4.44 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 3.95 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 26 E 8.16 3.98 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 27 Q 8.24 4.01 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 28 Q 8.17 3.95 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 29 E 7.94 3.94 0.00 2.21 1.98 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 2.33 2.53 0.00 30 K 7.84 3.88 0.00 1.97 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.73 7.81 31 N 8.34 4.29 0.00 2.91 2.88 0.00 0.00 7.12 8.51 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 32 E 8.20 4.01 0.00 2.14 2.01 0.00 0.00 0.00 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 2.41 0.00 33 A 7.99 4.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 4.20 0.00 1.66 1.71 0.92 0.78 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 36 R 7.41 4.08 0.00 1.90 1.89 0.00 3.23 0.00 0.00 3.27 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 37 E 7.77 4.43 0.00 2.23 2.02 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 2.29 2.27 0.00 38 L 7.55 4.09 0.00 1.74 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00