NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4764 8.3044 120.3318 54.9312 33.4427 174.8214 2 K 4.0911 8.4897 122.7792 55.7036 33.2728 174.9184 3 K 4.7864 9.0982 124.1992 56.0569 35.1777 174.7729 4 Y 4.8617 8.8831 119.2774 56.2342 42.0720 174.5576 5 V 4.8697 8.7050 123.4817 61.1010 34.5359 174.0858 6 C 3.3721 9.1405 129.1489 58.7010 31.6279 174.6015 7 T 3.8250 8.2616 117.5986 64.3119 68.7879 176.0066 8 V 3.7755 7.6332 121.4680 64.8378 31.7260 175.9174 9 C 4.6762 7.7915 109.8733 56.9916 30.6217 174.6734 10 G 3.9185 8.5839 109.3374 45.3195 0.0000 173.2686 11 Y 4.2228 7.8090 121.7933 57.9006 40.0664 174.3298 12 E 4.9902 8.0127 125.7964 54.7642 31.5490 174.8595 13 Y 4.2282 9.7638 128.2105 57.2739 40.1741 173.4839 14 D 4.8555 7.7350 126.7454 51.7748 43.0292 174.6109 15 P 4.5066 0.0000 0.0000 65.0262 31.9878 178.6005 16 A 4.1634 8.3335 121.0744 53.8884 18.4718 177.6923 17 E 4.4345 7.7031 113.3751 54.9569 32.5144 177.9607 18 G 4.0996 8.0295 107.1494 45.5621 0.0000 173.7130 19 D 4.9403 8.7441 112.8215 51.9081 42.0612 174.8210 20 P 4.3980 0.0000 0.0000 66.1711 31.5948 178.6656 21 D 4.5259 8.2412 116.4124 56.1304 41.2222 175.9235 22 N 5.0083 8.7403 116.0629 53.1297 39.3087 175.6183 23 G 3.8817 8.5183 107.6216 45.0751 0.0000 174.2306 24 V 4.0971 7.4926 120.3528 61.4512 32.4160 175.5032 25 K 4.6134 8.5548 127.5015 55.2152 33.0906 175.3128 26 P 4.2075 0.0000 0.0000 63.1817 32.2506 176.1808 27 G 3.8295 9.0187 108.2332 47.0096 0.0000 173.6290 28 T 4.4183 7.6860 116.2598 60.9053 70.2215 174.4594 29 A 4.3700 8.3278 129.4235 51.7482 19.5603 177.7051 30 F 3.5010 8.9083 122.5552 61.2267 39.1106 177.6242 31 E 3.7504 7.9148 114.8440 58.8625 29.3530 177.8961 32 D 4.3651 7.4476 118.7763 54.6872 41.5701 177.1293 33 V 3.1959 6.4414 119.2223 61.8545 31.9918 173.8316 34 P 4.0873 0.0000 0.0000 63.0606 31.2496 176.9563 35 A 4.1010 8.6699 125.0759 54.8255 18.3066 177.6255 36 D 4.7358 7.8823 112.6503 52.7656 39.9934 176.4036 37 W 4.2545 8.3439 131.0498 57.6046 31.2020 175.5428 38 V 4.2357 6.9031 117.0110 58.6869 34.8055 175.0335 39 C 3.5579 8.4434 122.8289 58.9225 31.6487 173.2721 40 P 4.3432 0.0000 0.0000 64.9663 31.1996 177.1467 41 I 4.1497 7.2206 118.1824 62.0354 37.7745 175.7560 42 C 4.5878 7.4893 110.8030 56.5607 31.0529 174.9574 43 G 3.7473 8.5900 108.6849 45.3834 0.0000 173.8181 44 A 4.1301 7.4984 123.3665 50.9389 19.1896 175.9001 45 P 4.7881 0.0000 0.0000 62.1277 32.5274 177.3548 46 K 4.1592 8.9927 118.7304 59.9296 32.0212 179.5378 47 S 4.3803 8.2491 111.8210 60.9480 63.2441 174.5144 48 E 4.4861 8.9774 120.7589 56.5357 29.1321 175.6358 49 F 5.2291 8.2699 117.9993 56.3926 41.2776 174.9790 50 E 4.8943 9.0212 118.5147 53.8866 34.1838 173.4864 51 P 3.1686 0.0000 0.0000 62.5096 32.0616 176.3084 52 A 4.2798 8.5038 125.5365 51.9393 18.7633 176.3865 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 8.30 4.48 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 2 K 8.49 4.09 0.00 1.86 1.89 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.46 7.81 3 K 9.10 4.79 0.00 1.73 1.70 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.48 1.46 7.81 4 Y 8.88 4.86 0.00 2.35 2.39 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 5 V 8.71 4.87 2.05 0.00 0.00 0.00 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 0.91 0.00 0.00 6 C 9.14 3.37 0.00 2.05 2.77 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 7 T 8.26 3.82 4.20 0.00 0.00 0.00 0.00 0.00 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 8 V 7.63 3.78 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 0.81 0.00 0.00 0.89 0.00 0.00 9 C 7.79 4.68 0.00 3.07 2.94 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 10 G 8.58 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 11 Y 7.81 4.22 0.00 3.11 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 12 E 8.01 4.99 0.00 1.69 1.74 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 2.19 2.22 0.00 13 Y 9.76 4.23 0.00 3.45 3.01 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 0.00 0.00 0.00 14 D 7.73 4.86 0.00 2.56 2.26 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 15 P 0.00 4.51 0.00 2.13 2.29 0.00 3.89 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 16 A 8.33 4.16 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 17 E 7.70 4.43 0.00 1.81 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 2.16 2.28 0.00 18 G 8.03 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.74 4.94 0.00 3.14 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 20 P 0.00 4.40 0.00 2.29 2.36 0.00 3.84 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 21 D 8.24 4.53 0.00 2.70 2.81 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 0.00 0.00 0.00 22 N 8.74 5.01 0.00 3.17 2.92 0.00 0.00 7.12 7.60 0.00 0.00 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 G 8.52 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 0.00 0.00 0.00 24 V 7.49 4.10 2.21 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 0.99 0.00 0.00 0.72 0.00 0.00 25 K 8.55 4.61 0.00 1.68 1.72 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.48 7.81 26 P 0.00 4.21 0.00 1.93 2.18 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 27 G 9.02 3.83 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 0.00 0.00 0.00 28 T 7.69 4.42 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 29 A 8.33 4.37 1.25 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 0.00 0.00 0.00 30 F 8.91 3.50 0.00 2.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.91 3.75 0.00 2.05 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 2.21 2.30 0.00 32 D 7.45 4.37 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.44 3.20 1.10 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 -0.48 0.00 0.00 -0.09 0.00 0.00 34 P 0.00 4.09 0.00 2.44 2.16 0.00 3.46 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 35 A 8.67 4.10 1.26 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 0.00 0.00 36 D 7.88 4.74 0.00 2.79 2.77 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 37 W 8.34 4.25 0.00 3.08 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 38 V 6.90 4.24 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 0.72 0.00 0.00 0.65 0.00 0.00 39 C 8.44 3.56 0.00 3.19 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 40 P 0.00 4.34 0.00 2.08 2.04 0.00 2.96 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.75 0.00 41 I 7.22 4.15 1.84 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.45 0.94 0.00 0.00 42 C 7.49 4.59 0.00 2.97 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 43 G 8.59 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.50 4.13 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.79 0.00 2.30 2.23 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 46 K 8.99 4.16 0.00 1.87 1.91 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.82 7.81 47 S 8.25 4.38 0.00 4.07 4.09 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 48 E 8.98 4.49 0.00 2.06 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 2.53 2.46 0.00 49 F 8.27 5.23 0.00 3.33 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.02 4.89 0.00 1.81 1.72 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 2.25 2.42 0.00 51 P 0.00 3.17 0.00 1.72 1.63 0.00 3.54 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 1.94 1.87 0.00 52 A 8.50 4.28 1.15 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 0.00 0.00