NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 H 4.7752 8.3033 117.8283 56.0092 30.7349 175.7167 10 T 3.6664 8.0317 118.1387 66.4818 68.1579 174.8028 11 I 3.6875 8.4707 122.2547 63.8873 37.3597 178.2770 12 I 3.7911 7.5995 120.8136 64.1527 37.2205 178.2449 13 S 4.0451 7.6778 114.9540 61.6676 63.0147 176.7264 14 V 3.3586 7.9524 122.4113 64.4795 31.0878 177.7974 15 A 3.8212 7.2446 120.2658 55.3217 18.1995 179.4530 16 L 3.9911 7.5996 117.3595 58.1652 41.6507 180.0150 17 I 3.8674 7.4683 119.3211 64.3337 36.8060 177.9187 18 Y 4.8574 8.1084 117.4814 61.6205 38.0831 178.2726 19 M 4.3006 8.2854 119.5842 58.1819 32.0342 178.9032 20 V 3.5725 7.5622 118.7221 66.1466 31.2119 177.8107 21 Q 3.7995 8.2519 119.1473 59.2028 28.6397 178.6403 22 V 3.7680 7.5701 120.3882 65.1549 31.5177 178.0701 23 Q 3.2379 7.8490 117.9657 59.0463 28.4189 178.5150 24 M 4.1001 7.8355 119.1612 57.9523 31.9301 178.8069 25 S 4.1510 7.4022 113.4184 61.0238 63.2206 176.6888 26 K 3.9056 7.8640 122.3968 58.7812 31.5598 179.2293 27 F 4.6308 7.6761 118.0964 60.2730 39.1571 177.6585 28 S 4.0880 7.7792 112.6731 61.1823 61.7112 176.1281 29 E 4.0502 7.7422 120.2377 58.7054 29.4401 178.2320 30 L 4.1107 7.3575 117.0368 58.2070 41.8850 179.7176 31 G 3.7041 8.2626 103.8437 46.4867 0.0000 175.3356 32 G 4.1983 7.5047 109.9460 43.2147 0.0000 173.2348 33 A 5.4110 6.8760 114.8045 51.1284 20.2475 176.4983 34 F 5.1949 8.2859 115.8249 58.3319 39.3012 176.7611 35 G 4.9512 7.4676 115.5603 45.5390 0.0000 173.3706 36 S 4.7355 7.4054 114.2849 56.5133 66.2449 174.1834 37 G 4.3562 8.5497 111.2494 45.1601 0.0000 174.8596 38 G 4.0252 8.6293 114.2308 46.6323 0.0000 172.1896 39 L 4.6443 8.7449 115.1537 54.5754 43.0361 176.3957 40 H 4.5888 7.8468 117.0613 56.1327 29.2257 176.0410 41 T 4.4040 7.8918 109.7482 60.3806 68.7693 172.9323 42 V 3.9144 7.7895 126.8230 61.4733 32.5030 174.3504 43 F 4.6305 7.4960 125.0201 56.4676 38.3388 176.5943 44 G 3.8457 7.9062 112.0184 47.1233 0.0000 176.1586 45 R 4.3798 8.3274 135.0000 53.8945 29.6209 178.0195 46 R 3.6229 8.8385 122.2502 57.0883 28.7298 175.8937 47 K 3.9356 7.8818 113.8326 56.3817 35.5919 173.2004 48 G 3.6781 8.5003 114.3767 45.4484 0.0000 173.5464 49 L 4.5067 8.0207 126.4487 54.2454 43.6578 173.6618 50 D 4.3177 8.0638 121.3571 53.7254 37.9301 173.2424 51 T 3.9157 7.8868 118.3405 63.2808 69.4969 175.2141 52 G 3.7503 8.7077 112.1195 47.2136 0.0000 174.4192 53 G 3.9777 7.8087 108.1873 45.4701 0.0000 175.2930 54 K 4.2022 7.9947 119.9203 57.9902 32.1293 178.9760 55 I 3.7758 7.6298 120.6070 64.2091 37.0558 178.2644 56 T 3.8054 7.8779 116.9990 66.4711 68.3717 175.9981 57 L 3.8514 7.8959 121.6761 58.7400 41.8921 179.1618 58 V 3.6484 8.1046 117.7792 65.8661 31.2033 177.8594 59 L 4.0697 7.5312 119.2147 58.3217 42.0466 178.2040 60 S 4.2157 8.1737 113.8512 60.6382 62.3277 176.0269 61 V 3.6194 7.9867 114.2254 64.7907 31.7038 178.6109 62 L 4.0994 7.9615 119.4225 58.1218 41.8357 178.9794 63 F 4.2303 8.7230 118.2131 60.6082 38.6566 177.4232 64 F 3.9436 8.4064 115.6971 59.8224 39.1991 177.9745 65 V 3.8511 7.8552 111.4888 63.8526 31.4357 178.7479 66 S 4.1354 7.8752 115.2459 61.5196 62.8766 175.6818 67 C 4.2908 7.6265 119.9045 61.1891 31.0337 175.3892 68 V 3.5529 7.3719 120.2071 66.5306 31.0361 177.9358 69 V 3.6364 7.6172 117.3397 66.3293 31.3197 178.2378 70 T 3.9100 7.6868 114.1746 66.2356 68.3041 176.5329 71 A 4.1482 7.8013 121.7008 55.6258 18.6407 177.5819 72 F 4.4004 7.8421 117.6638 59.8651 40.7476 175.8178 73 V 3.7758 7.7047 123.2008 63.1529 31.2320 176.1870 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 9 H 8.30 4.78 0.00 3.20 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.03 3.67 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 1.13 0.00 0.00 11 I 8.47 3.69 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.95 0.94 0.00 0.00 12 I 7.60 3.79 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.97 0.90 0.00 0.00 13 S 7.68 4.05 0.00 3.94 4.08 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 0.00 0.00 0.00 14 V 7.95 3.36 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.79 0.00 0.00 15 A 7.24 3.82 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.99 0.00 1.72 1.75 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.47 3.87 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.07 1.15 0.00 0.00 18 Y 8.11 4.86 0.00 3.17 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 19 M 8.29 4.30 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.67 0.00 20 V 7.56 3.57 2.33 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 1.00 0.00 0.00 1.07 0.00 0.00 21 Q 8.25 3.80 0.00 1.73 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 22 V 7.57 3.77 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 1.30 0.00 0.00 1.08 0.00 0.00 23 Q 7.85 3.24 0.00 2.23 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 24 M 7.84 4.10 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.61 0.00 25 S 7.40 4.15 0.00 3.97 3.98 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 26 K 7.86 3.91 0.00 1.39 1.81 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.49 7.81 27 F 7.68 4.63 0.00 3.08 2.93 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 0.00 0.00 0.00 28 S 7.78 4.09 0.00 4.02 3.98 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 29 E 7.74 4.05 0.00 2.18 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 2.26 2.47 0.00 30 L 7.36 4.11 0.00 1.90 1.77 1.18 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.26 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.50 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 0.00 0.00 0.00 0.00 33 A 6.88 5.41 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 34 F 8.29 5.19 0.00 2.99 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 35 G 7.47 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.41 4.74 0.00 3.96 3.93 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 0.00 0.00 0.00 37 G 8.55 4.36 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 0.00 38 G 8.63 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.74 4.64 0.00 1.63 1.68 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 40 H 7.85 4.59 0.00 3.21 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.89 4.40 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 1.24 0.00 0.00 42 V 7.79 3.91 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 0.75 0.00 0.00 0.80 0.00 0.00 43 F 7.50 4.63 0.00 3.13 3.16 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 0.00 0.00 0.00 0.00 44 G 7.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 4.38 0.00 1.92 1.76 0.00 3.51 0.00 0.00 3.44 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.63 0.00 46 R 8.84 3.62 0.00 2.02 2.06 0.00 3.25 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 47 K 7.88 3.94 0.00 1.71 1.83 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.32 7.81 48 G 8.50 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.02 4.51 0.00 1.61 1.57 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.06 4.32 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.89 3.92 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 1.22 0.00 0.00 52 G 8.71 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 53 G 7.81 3.98 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 0.00 0.00 0.00 54 K 7.99 4.20 0.00 1.95 1.85 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.60 7.81 55 I 7.63 3.78 1.87 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 1.64 1.13 0.91 0.00 0.00 56 T 7.88 3.81 4.35 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 1.13 0.00 0.00 57 L 7.90 3.85 0.00 1.68 1.87 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.10 3.65 2.09 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 0.97 0.00 0.00 1.03 0.00 0.00 59 L 7.53 4.07 0.00 1.87 1.72 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.17 4.22 0.00 3.85 3.89 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 0.00 0.00 0.00 61 V 7.99 3.62 2.11 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 0.84 0.00 0.00 1.03 0.00 0.00 62 L 7.96 4.10 0.00 2.05 1.84 0.97 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.72 4.23 0.00 3.44 3.36 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 64 F 8.41 3.94 0.00 2.93 3.11 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 65 V 7.86 3.85 2.11 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 1.19 0.00 0.00 1.04 0.00 0.00 66 S 7.88 4.14 0.00 4.01 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 C 7.63 4.29 0.00 2.32 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.37 3.55 2.28 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 0.94 0.00 0.00 1.02 0.00 0.00 69 V 7.62 3.64 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 1.09 0.00 0.00 0.94 0.00 0.00 70 T 7.69 3.91 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 1.20 0.00 0.00 71 A 7.80 4.15 1.40 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 0.00 0.00 0.00 72 F 7.84 4.40 0.00 2.81 2.99 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 73 V 7.70 3.78 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.03 0.00 0.00