NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9905 8.0093 120.7996 62.5040 38.9961 176.2631 4 K 3.3101 8.1878 114.7910 57.2250 32.0267 170.1344 5 V 4.1482 8.8109 125.8082 61.9308 33.4976 175.3261 6 R 4.0541 8.6351 125.9082 57.9657 30.6963 177.2225 7 E 3.7281 8.2058 119.7337 56.8313 26.8568 175.9461 8 N 4.4082 8.2848 124.2830 53.3668 39.3961 173.4297 9 E 3.4910 8.4565 120.0014 55.0460 29.0434 172.0199 10 P 4.2685 0.0000 0.0000 62.2210 31.5879 175.2567 11 F 4.6787 7.1649 116.7457 56.8548 39.4221 172.3606 12 D 4.9416 8.7216 118.8103 53.8638 41.5848 176.2880 13 V 3.7437 8.1176 118.2419 60.3314 30.1990 175.3532 14 A 3.7381 8.3613 128.1897 53.3312 18.5142 176.5933 15 L 3.3800 7.6933 120.3583 56.4094 39.4372 174.4150 16 R 4.5743 8.0180 123.4941 54.4454 30.1623 175.1773 17 R 4.1485 8.1030 121.4991 58.8736 31.1247 178.9584 18 F 4.4993 8.5551 116.3279 60.8767 38.6370 177.5428 19 K 3.9773 8.2282 117.2542 59.7690 31.6847 179.1911 20 R 4.3932 7.6226 113.2209 56.7115 29.6778 176.4233 21 S 4.6438 8.0615 112.3312 59.7827 65.7894 174.3927 22 C 4.5023 7.9553 113.1255 59.5965 28.0396 177.3099 23 E 4.2298 9.0620 128.0228 55.9186 28.6557 181.3297 24 K 3.7700 9.1234 134.1498 57.2106 31.5328 174.7712 25 A 4.1170 8.7206 116.1128 55.0958 17.9362 180.0477 26 G 3.8727 7.6868 103.5839 47.7987 0.0000 175.2157 27 V 4.4879 7.4240 119.1599 61.6914 32.1950 176.7777 28 L 4.1459 7.3539 119.3135 58.3334 42.0613 177.7693 29 A 3.9539 8.1686 120.1786 56.0303 18.4202 178.7803 30 E 3.5916 8.2633 114.6524 59.3315 29.7613 180.8672 31 V 4.0210 8.3106 119.8064 60.8261 31.1710 180.3161 32 R 3.5641 9.3302 118.6548 57.3322 29.8331 175.8494 33 R 4.3101 9.1159 116.8485 56.2358 33.3619 173.3937 34 R 3.3698 8.8801 124.1827 56.4956 29.9397 174.9818 35 E 4.1364 8.6548 123.0640 56.9513 29.8467 175.2786 36 F 4.7366 8.3016 116.8690 58.6341 41.4694 175.9389 37 Y 4.0922 8.0142 119.9587 57.3554 38.3588 169.4475 38 E 4.8871 8.5647 118.4974 55.3059 31.3097 177.4129 39 K 4.2967 7.8666 120.4819 56.9426 33.8768 174.3508 40 P 4.5412 0.0000 0.0000 64.6198 31.2095 178.2647 41 T 3.8753 7.8548 116.3961 67.1512 68.5384 176.3639 42 T 3.9637 7.8334 111.0493 64.4318 68.9569 175.8284 43 E 3.8357 7.7954 122.3104 59.2333 29.6516 178.4930 44 R 4.2701 8.3864 118.0260 57.8156 30.3035 177.5737 45 K 4.1667 8.5283 118.1865 58.0693 32.4950 177.8208 46 R 4.3766 7.9578 116.9808 57.5623 30.6397 177.7029 47 A 4.2954 7.4163 120.3992 53.0529 18.0873 179.4019 48 K 3.9511 7.6622 117.8480 59.3745 32.4787 178.4934 49 A 4.1323 7.5149 119.1497 55.4329 18.1183 178.4118 50 S 4.2286 7.9424 113.5170 60.2780 62.2008 175.1041 51 A 4.2140 7.9211 123.2475 53.6153 18.4547 179.3694 52 V 3.7567 7.6596 118.6146 64.4626 31.6104 176.3961 53 K 4.0369 7.3698 125.6606 56.6133 31.9097 175.9310 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 3 I 8.01 3.99 1.95 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 1.61 1.67 1.27 0.00 0.00 4 K 8.19 3.31 0.00 2.08 1.86 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.49 7.81 5 V 8.81 4.15 2.10 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 0.82 0.00 0.00 0.94 0.00 0.00 6 R 8.64 4.05 0.00 1.84 1.95 0.00 3.41 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 7 E 8.21 3.73 0.00 2.25 2.50 0.00 0.00 0.00 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 2.33 0.00 8 N 8.28 4.41 0.00 2.64 2.68 0.00 0.00 7.29 7.65 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 9 E 8.46 3.49 0.00 1.94 1.88 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 2.30 2.33 0.00 10 P 0.00 4.27 0.00 2.12 1.99 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 11 F 7.16 4.68 0.00 2.99 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 12 D 8.72 4.94 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.12 3.74 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.82 0.00 0.00 14 A 8.36 3.74 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 3.38 0.00 1.80 1.70 0.85 0.43 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 16 R 8.02 4.57 0.00 1.74 1.87 0.00 3.35 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 17 R 8.10 4.15 0.00 2.01 2.03 0.00 3.24 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 18 F 8.56 4.50 0.00 2.97 3.10 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 19 K 8.23 3.98 0.00 1.97 1.88 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.51 7.81 20 R 7.62 4.39 0.00 1.90 1.96 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.79 0.00 21 S 8.06 4.64 0.00 3.98 3.90 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 C 7.96 4.50 0.00 2.79 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 0.00 0.00 0.00 23 E 9.06 4.23 0.00 1.91 1.12 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 0.00 2.26 2.22 0.00 24 K 9.12 3.77 0.00 2.11 1.78 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.47 7.81 25 A 8.72 4.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 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 0.00 0.00 0.00 27 V 7.42 4.49 2.04 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 1.18 0.00 0.00 0.89 0.00 0.00 28 L 7.35 4.15 0.00 1.72 1.69 0.90 0.94 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 29 A 8.17 3.95 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.26 3.59 0.00 2.03 1.85 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 2.33 2.63 0.00 31 V 8.31 4.02 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 0.85 0.00 0.00 0.92 0.00 0.00 32 R 9.33 3.56 0.00 2.11 1.99 0.00 3.49 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 33 R 9.12 4.31 0.00 1.65 1.76 0.00 3.68 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 34 R 8.88 3.37 0.00 1.96 1.94 0.00 3.36 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 35 E 8.65 4.14 0.00 1.97 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 2.42 2.53 0.00 36 F 8.30 4.74 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 4.09 0.00 3.15 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.56 4.89 0.00 1.94 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 2.21 2.08 0.00 39 K 7.87 4.30 0.00 1.75 1.35 0.00 1.27 0.00 0.00 1.50 0.00 0.00 2.28 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.64 1.13 7.81 40 P 0.00 4.54 0.00 2.48 2.83 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 41 T 7.85 3.88 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 1.23 0.00 0.00 42 T 7.83 3.96 4.22 0.00 0.00 0.00 0.00 0.00 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 43 E 7.80 3.84 0.00 2.28 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 2.47 2.43 0.00 44 R 8.39 4.27 0.00 1.97 1.92 0.00 3.20 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 45 K 8.53 4.17 0.00 1.84 1.87 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 46 R 7.96 4.38 0.00 1.95 1.94 0.00 3.34 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 47 A 7.42 4.30 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.66 3.95 0.00 1.74 1.98 0.00 1.82 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 49 A 7.51 4.13 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 50 S 7.94 4.23 0.00 4.08 3.74 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 0.00 0.00 0.00 51 A 7.92 4.21 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.66 3.76 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 53 K 7.37 4.04 0.00 1.88 1.75 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81