NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4046 8.1927 115.4140 57.7198 64.4381 172.1908 0 H 4.0408 8.6523 120.0065 57.7723 29.6134 173.2543 1 M 3.0461 9.1518 126.3004 55.9947 30.5747 176.8606 2 A 4.1543 7.8015 121.5150 51.7789 20.4214 178.7862 3 S 4.0496 8.7300 116.7966 61.7565 62.4403 176.8886 4 E 3.9950 8.1042 119.5385 59.3305 29.3870 178.8622 5 E 3.9648 8.0762 119.1673 59.2475 29.5531 179.0469 6 L 3.9924 7.9836 119.0655 57.8800 41.5561 179.6211 7 Q 3.9886 8.3172 118.1474 58.7946 28.5835 178.9421 8 K 3.9810 8.0663 119.5649 59.2944 32.0654 178.9628 9 D 4.3332 8.2414 119.3452 57.4273 40.8326 178.7410 10 L 3.9304 8.1213 120.7718 58.1431 42.0412 178.5295 11 E 3.9231 8.4181 119.4854 59.2685 29.5204 178.3835 12 E 3.9241 8.2202 119.6173 59.2340 29.6261 179.1424 13 V 3.6295 7.8575 119.2511 64.8205 31.3702 178.5733 14 K 3.9651 8.2328 119.1438 59.0334 31.8500 179.4216 15 V 3.5743 8.0009 118.7160 66.1560 31.4506 178.1895 16 L 4.0376 8.1425 118.7064 57.6684 41.2280 179.4115 17 L 4.0283 8.1016 118.6689 57.7083 41.5723 178.8681 18 E 4.0581 8.0055 118.5442 58.8990 29.5766 178.4973 19 K 4.1552 7.3941 116.9687 57.4213 32.7722 177.4903 20 A 4.2636 7.5471 122.3056 52.0420 18.8833 177.0902 21 T 4.5114 8.3334 110.5729 61.3400 71.1520 175.1520 22 R 4.2280 7.7699 122.3567 55.0559 31.6984 176.6501 23 K 3.8235 8.7508 124.5951 59.8981 32.2883 178.7611 24 R 3.8807 7.9159 118.2002 59.3613 30.0504 178.5619 25 V 3.6030 7.6743 117.5794 66.0169 31.6924 177.9608 26 R 3.9394 8.3709 118.2724 59.4531 29.8990 178.7463 27 D 4.4444 8.7867 120.0753 56.7172 40.8006 178.7001 28 A 4.0041 7.8780 120.7535 55.1741 18.3097 179.7345 29 L 3.9678 8.0788 117.7646 58.1659 41.5411 179.9129 30 T 3.8714 8.4949 109.9778 64.5205 68.7367 176.5084 31 A 4.0568 8.1436 123.7810 55.0263 18.3650 179.2405 32 E 3.8824 8.0566 117.4281 59.0946 29.6350 178.7320 33 K 3.8423 8.3305 120.1133 59.7168 32.2391 178.5623 34 S 4.0851 8.2990 113.3951 61.3210 62.2867 176.3531 35 K 3.9636 7.9156 120.6154 59.5331 31.7680 179.4982 36 I 3.7268 7.9136 120.1057 64.4568 36.9545 178.3236 37 E 3.9586 8.5241 119.7993 59.7255 29.1618 179.6679 38 T 3.8657 7.9157 115.7263 66.6644 68.3017 176.5787 39 E 3.9687 8.0132 119.3632 59.4019 29.8187 179.2926 40 I 3.8421 7.9843 119.9311 64.3247 37.2440 178.3917 41 K 3.9483 8.3181 120.7019 59.6042 31.7526 178.4360 42 N 4.3610 8.3336 116.3082 56.1899 38.4882 177.0973 43 K 4.0162 7.8243 118.5076 57.1811 32.1606 176.6797 44 M 3.4636 7.8517 123.4698 55.9534 33.7641 175.9485 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 8.19 4.40 0.00 4.04 4.11 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 0.00 0.00 0.00 0.00 0 H 8.65 4.04 0.00 3.18 3.29 0.00 6.03 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.15 3.05 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.87 0.00 2 A 7.80 4.15 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 3 S 8.73 4.05 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.10 3.99 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 5 E 8.08 3.96 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 6 L 7.98 3.99 0.00 1.84 1.70 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.32 3.99 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 8 K 8.07 3.98 0.00 1.98 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.66 7.81 9 D 8.24 4.33 0.00 2.85 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 10 L 8.12 3.93 0.00 1.81 1.82 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.42 3.92 0.00 2.21 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 0.00 2.31 2.36 0.00 12 E 8.22 3.92 0.00 2.09 2.06 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 2.31 2.32 0.00 13 V 7.86 3.63 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 0.95 0.00 0.00 0.95 0.00 0.00 14 K 8.23 3.97 0.00 1.99 1.90 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.59 7.81 15 V 8.00 3.57 2.23 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 1.03 0.00 0.00 0.98 0.00 0.00 16 L 8.14 4.04 0.00 1.73 1.69 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.10 4.03 0.00 1.78 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.01 4.06 0.00 1.99 2.15 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 2.32 2.35 0.00 19 K 7.39 4.16 0.00 2.05 1.84 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.60 7.81 20 A 7.55 4.26 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.51 4.24 0.00 0.00 0.00 0.00 0.00 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 22 R 7.77 4.23 0.00 1.84 1.89 0.00 3.31 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 23 K 8.75 3.82 0.00 1.81 1.82 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.52 7.81 24 R 7.92 3.88 0.00 1.91 1.91 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 25 V 7.67 3.60 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 26 R 8.37 3.94 0.00 2.00 1.97 0.00 3.33 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 27 D 8.79 4.44 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.88 4.00 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 29 L 8.08 3.97 0.00 1.86 1.73 0.92 0.52 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 30 T 8.49 3.87 4.24 0.00 0.00 0.00 0.00 0.00 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 31 A 8.14 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.88 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 33 K 8.33 3.84 0.00 1.93 1.97 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 34 S 8.30 4.09 0.00 3.98 3.99 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 0.00 0.00 0.00 35 K 7.92 3.96 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.60 7.81 36 I 7.91 3.73 1.97 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 0.70 0.90 0.00 0.00 37 E 8.52 3.96 0.00 2.03 2.00 0.00 0.00 0.00 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 2.48 0.00 38 T 7.92 3.87 4.40 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 1.21 0.00 0.00 39 E 8.01 3.97 0.00 2.08 2.00 0.00 0.00 0.00 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 2.47 0.00 40 I 7.98 3.84 2.00 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 1.40 1.16 0.97 0.00 0.00 41 K 8.32 3.95 0.00 1.91 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 42 N 8.33 4.36 0.00 2.89 2.87 0.00 0.00 7.08 7.34 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 43 K 7.82 4.02 0.00 1.90 1.87 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.62 7.81 44 M 7.85 3.46 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00