NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3947 8.1627 120.3461 55.5154 34.2462 177.1127 2 E 3.9427 7.9243 118.4589 58.4268 29.6177 176.7360 3 T 3.8831 8.0370 116.1422 66.2002 69.0710 175.3314 4 L 3.8438 7.9121 121.5142 58.3640 41.9861 179.0163 5 K 3.7426 7.5777 118.1082 59.6309 32.0554 178.3589 6 I 3.5850 7.2569 119.9258 64.9782 37.0062 178.0959 7 T 3.8769 8.0702 116.0679 66.8712 68.3133 176.2954 8 V 3.6775 8.2712 120.0817 66.6351 31.2837 177.4227 9 Y 4.1776 8.3912 114.9885 61.5240 38.0910 178.5781 10 I 3.8768 8.2925 120.6707 64.5843 37.0735 178.2386 11 V 3.8001 8.3150 119.0459 66.6957 31.3604 178.4575 12 V 3.9397 8.3285 117.6292 65.9690 31.3219 178.2781 13 T 3.9028 8.1188 115.8675 67.2092 68.3688 175.4692 14 F 4.1502 8.6452 120.5732 62.2852 39.0638 176.6753 15 F 3.8158 8.2086 114.7965 60.9212 39.1299 178.2639 16 V 3.7320 8.1187 117.4068 65.6529 31.1707 178.2182 17 L 3.8345 8.4846 119.3195 57.8974 41.4297 179.0603 18 L 3.8607 7.9950 117.8991 58.0358 41.6160 179.4959 19 F 4.2232 8.2042 120.3128 61.1461 39.4399 177.6430 20 V 3.5122 7.8371 117.7912 66.0445 31.2831 177.7301 21 F 4.7613 7.9637 114.7563 59.2139 38.9785 177.2256 22 G 3.5541 7.6045 106.6928 47.4106 0.0000 176.2557 23 F 4.1553 7.4290 120.3036 59.3881 38.7203 177.7609 24 L 4.2038 7.9507 119.1897 57.4722 41.4137 180.2615 25 S 4.5903 7.8397 116.5786 57.5165 64.1468 174.7846 26 G 3.9380 9.5992 107.6411 46.8050 0.0000 174.5854 27 D 4.4661 8.2045 120.0592 56.8337 42.2421 176.2989 28 P 4.1935 0.0000 0.0000 65.6897 31.5827 176.9523 29 A 4.0365 7.4883 120.1292 55.3277 18.1091 178.1614 30 R 3.9933 7.8636 118.2974 57.4236 28.9783 175.9422 31 N 4.2020 8.3169 119.9425 51.6576 38.3216 172.5103 32 P 4.1281 0.0000 0.0000 65.3646 33.0112 178.7891 33 K 4.4208 7.2630 115.8278 56.2372 31.7240 179.8255 34 R 3.7766 8.2577 117.5793 55.7094 29.1355 175.7137 35 K 4.0966 8.4006 121.8275 57.3976 32.0227 175.3814 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 M 8.16 4.39 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 2 E 7.92 3.94 0.00 2.17 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 2.33 2.47 0.00 3 T 8.04 3.88 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 1.20 0.00 0.00 4 L 7.91 3.84 0.00 1.74 1.69 0.93 0.51 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 5 K 7.58 3.74 0.00 1.83 1.79 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.47 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.69 1.08 7.81 6 I 7.26 3.59 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.60 0.92 0.00 0.00 7 T 8.07 3.88 4.38 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 1.24 0.00 0.00 8 V 8.27 3.68 2.41 0.00 0.00 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 1.08 0.00 0.00 9 Y 8.39 4.18 0.00 3.13 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.88 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.13 0.93 0.00 0.00 11 V 8.32 3.80 2.40 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 1.32 0.00 0.00 1.05 0.00 0.00 12 V 8.33 3.94 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 0.96 0.00 0.00 1.03 0.00 0.00 13 T 8.12 3.90 4.47 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 1.27 0.00 0.00 14 F 8.65 4.15 0.00 2.87 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 15 F 8.21 3.82 0.00 3.16 3.07 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 0.00 0.00 0.00 0.00 16 V 8.12 3.73 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 1.04 0.00 0.00 0.95 0.00 0.00 17 L 8.48 3.83 0.00 1.92 1.87 1.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.99 3.86 0.00 1.56 1.62 -0.30 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.20 4.22 0.00 3.26 3.26 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 0.00 20 V 7.84 3.51 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 0.84 0.00 0.00 1.06 0.00 0.00 21 F 7.96 4.76 0.00 3.18 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 22 G 7.60 3.55 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 0.00 0.00 0.00 0.00 23 F 7.43 4.16 0.00 2.87 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 24 L 7.95 4.20 0.00 1.92 1.81 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.84 4.59 0.00 3.98 3.87 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 26 G 9.60 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.20 4.47 0.00 3.14 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.09 2.14 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 29 A 7.49 4.04 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 30 R 7.86 3.99 0.00 1.95 1.95 0.00 3.22 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 31 N 8.32 4.20 0.00 2.81 2.79 0.00 0.00 6.25 7.75 0.00 0.00 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 P 0.00 4.13 0.00 2.06 2.12 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 33 K 7.26 4.42 0.00 1.73 0.80 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 34 R 8.26 3.78 0.00 1.85 1.87 0.00 3.30 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 35 K 8.40 4.10 0.00 1.84 1.76 0.00 1.62 0.00 0.00 1.97 0.00 0.00 3.21 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.41 7.81