NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0774 8.3393 108.0176 44.4950 0.0000 173.8962 2 E 4.6783 8.6178 115.6323 52.9696 32.9269 173.5056 3 D 4.8866 9.1281 118.4431 51.6064 45.3587 178.0685 4 G 3.4615 6.0370 107.0901 46.2316 0.0000 170.2968 5 Y 5.0140 7.5434 118.3969 55.5045 38.9097 175.3387 6 I 4.1097 8.3954 125.1494 61.8294 39.1170 174.4372 7 A 5.5493 8.9968 129.7870 49.3205 22.9278 174.3405 8 D 4.8714 8.4037 117.7528 51.4008 41.5284 177.5969 9 G 3.9089 8.6268 107.9258 47.7638 0.0000 173.6225 10 D 4.8125 9.0362 120.8981 53.9191 41.5370 175.5409 11 N 4.5175 8.0604 113.1503 55.1541 38.0421 173.0724 12 C 5.0167 7.7211 114.0491 55.0216 43.8037 175.0777 13 T 4.8370 8.1164 114.0682 60.9996 69.7623 172.6040 14 Y 4.7368 8.3426 118.1776 56.1075 40.4336 176.1014 15 I 4.6562 8.6480 124.9842 61.9783 38.1892 173.8407 16 C 5.0106 8.6833 117.9876 55.7987 44.2799 173.7474 17 T 4.4865 8.7913 113.4665 63.4454 70.9065 175.1592 18 F 5.0179 7.9520 118.7514 55.5838 42.5954 176.5251 19 N 4.1683 8.7817 119.2841 56.1001 38.3525 177.4045 20 N 4.3362 8.2859 118.4719 56.7010 39.0823 175.9387 21 Y 4.2460 8.1825 120.3935 61.1736 38.9400 178.6855 22 C 3.8804 7.7989 116.9479 60.0328 39.7939 175.4274 23 H 4.1147 8.4213 119.6885 59.3787 29.3201 177.1530 24 A 4.1946 8.0785 123.7002 54.4185 18.0996 179.1228 25 L 3.7327 7.7678 119.0600 58.5267 42.0297 178.6124 26 C 4.1085 8.4982 116.6961 60.2295 34.3686 176.3259 27 T 3.8269 7.9802 111.6242 64.8892 68.0531 176.0564 28 D 4.3865 8.5064 121.7316 56.5085 40.8231 177.8077 29 K 4.4177 7.2969 117.1680 56.0725 33.2637 177.2522 30 K 3.8201 7.8146 116.0669 56.9911 29.9506 176.4548 31 G 3.8228 7.7572 107.1583 45.3799 0.0000 174.3734 32 D 4.7553 8.9408 120.1581 56.8690 41.6441 176.9425 33 S 4.5190 7.7008 110.5354 58.3195 66.1798 173.5352 34 G 4.6328 8.5745 104.5730 45.7233 0.0000 172.5118 35 A 4.8550 8.8298 121.9260 50.2295 23.3384 174.3841 36 C 4.5901 9.1955 120.9913 55.8565 42.2644 172.4248 37 D 4.5528 8.7614 126.7317 52.3365 41.7105 177.1084 38 W 3.9249 8.3434 126.8954 58.2604 29.2373 176.3713 39 W 5.0284 7.9388 117.9365 54.5173 29.0237 174.5747 40 V 4.5461 8.1726 121.0951 59.9055 34.3547 174.7098 41 P 4.2226 0.0000 0.0000 64.2949 31.0110 176.7204 42 Y 4.6288 6.9473 114.2567 56.9436 39.3886 175.2131 43 G 3.9481 7.7474 105.5571 44.2373 0.0000 174.8228 44 V 4.9707 8.4013 120.8312 60.9617 31.9043 175.9832 45 V 5.7678 7.8523 119.4283 58.2610 36.1193 175.2445 46 C 4.9616 8.8268 119.2119 56.7433 38.4466 172.5871 47 W 4.8002 9.2283 133.3670 55.7564 33.0314 173.6158 48 C 5.1000 8.3101 124.2540 54.9508 41.3894 172.1632 49 E 4.4368 8.2926 122.1959 54.6146 31.8392 175.7309 50 D 4.4321 8.1957 126.0542 55.2017 39.0808 173.4671 51 L 4.2197 8.2606 121.2756 53.5560 43.4501 174.3343 52 P 4.6853 0.0000 0.0000 62.2555 31.9709 177.6264 53 T 3.9686 8.2832 110.4148 63.8929 68.8712 174.0239 54 P 4.2728 0.0000 0.0000 64.6445 31.6016 176.5284 55 V 4.0763 7.3597 118.1810 60.9358 32.4356 173.7647 56 P 4.7506 0.0000 0.0000 62.2914 32.7725 175.0079 57 I 5.1333 7.9359 114.3150 58.6310 41.0020 174.9197 58 R 4.0959 8.9608 124.2911 56.7271 30.5610 175.7796 59 G 4.2580 8.6799 113.3889 43.3128 0.0000 171.8733 60 S 4.1470 8.5416 113.7026 58.9224 63.0456 172.6167 61 G 3.8360 8.4124 112.1281 44.4542 0.0000 173.0939 62 K 4.4091 8.4339 119.5604 55.1955 33.8462 176.3578 63 C 5.0602 8.8089 120.6007 54.1266 44.6387 173.9298 64 R 4.2085 8.3301 122.8001 56.3149 29.0827 175.1698 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 G 8.34 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 0.00 0.00 0.00 2 E 8.62 4.68 0.00 2.04 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 2.11 2.47 0.00 3 D 9.13 4.89 0.00 2.60 2.25 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 4 G 6.04 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.54 5.01 0.00 3.00 2.95 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 6 I 8.40 4.11 1.71 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.27 0.76 0.00 0.00 7 A 9.00 5.55 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.40 4.87 0.00 2.86 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 9 G 8.63 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.04 4.81 0.00 2.74 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 11 N 8.06 4.52 0.00 2.94 2.94 0.00 0.00 7.01 7.63 0.00 0.00 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 C 7.72 5.02 0.00 2.96 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 4.84 4.27 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 0.81 0.00 0.00 14 Y 8.34 4.74 0.00 2.93 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 15 I 8.65 4.66 1.96 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 1.45 0.78 0.98 0.00 0.00 16 C 8.68 5.01 0.00 3.19 3.38 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 17 T 8.79 4.49 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 18 F 7.95 5.02 0.00 3.19 3.03 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 19 N 8.78 4.17 0.00 2.76 2.87 0.00 0.00 6.71 6.92 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 20 N 8.29 4.34 0.00 2.90 2.90 0.00 0.00 6.86 7.56 0.00 0.00 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 Y 8.18 4.25 0.00 3.09 3.24 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 22 C 7.80 3.88 0.00 3.15 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 23 H 8.42 4.11 0.00 3.47 3.53 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.08 4.19 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 25 L 7.77 3.73 0.00 1.25 1.42 0.50 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.50 4.11 0.00 3.00 3.02 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 0.00 0.00 0.00 0.00 27 T 7.98 3.83 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 28 D 8.51 4.39 0.00 2.69 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 29 K 7.30 4.42 0.00 1.63 1.71 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 30 K 7.81 3.82 0.00 1.87 1.90 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.47 7.81 31 G 7.76 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 0.00 0.00 0.00 32 D 8.94 4.76 0.00 2.70 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 33 S 7.70 4.52 0.00 3.98 4.02 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 0.00 0.00 0.00 0.00 34 G 8.57 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.83 4.85 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 36 C 9.20 4.59 0.00 2.97 2.60 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 0.00 0.00 0.00 0.00 37 D 8.76 4.55 0.00 2.81 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 38 W 8.34 3.92 0.00 2.55 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 0.00 0.00 0.00 39 W 7.94 5.03 0.00 3.33 3.08 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 40 V 8.17 4.55 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 0.51 0.00 0.00 1.10 0.00 0.00 41 P 0.00 4.22 0.00 1.11 1.76 0.00 3.19 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 42 Y 6.95 4.63 0.00 2.88 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 7.75 3.95 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 44 V 8.40 4.97 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 0.95 0.00 0.00 0.90 0.00 0.00 45 V 7.85 5.77 2.29 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 0.95 0.00 0.00 1.00 0.00 0.00 46 C 8.83 4.96 0.00 2.91 2.95 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 47 W 9.23 4.80 0.00 3.32 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 48 C 8.31 5.10 0.00 2.39 2.60 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 0.00 0.00 0.00 0.00 49 E 8.29 4.44 0.00 2.30 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 0.00 2.19 2.52 0.00 50 D 8.20 4.43 0.00 2.91 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 51 L 8.26 4.22 0.00 1.43 1.40 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.69 0.00 2.16 1.90 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 53 T 8.28 3.97 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 1.18 0.00 0.00 54 P 0.00 4.27 0.00 2.03 2.13 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 55 V 7.36 4.08 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 0.70 0.00 0.00 0.91 0.00 0.00 56 P 0.00 4.75 0.00 2.11 1.93 0.00 3.58 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 57 I 7.94 5.13 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.85 0.00 0.00 58 R 8.96 4.10 0.00 1.57 1.79 0.00 3.30 0.00 0.00 2.89 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 59 G 8.68 4.26 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 0.00 60 S 8.54 4.15 0.00 3.89 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 61 G 8.41 3.84 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 0.00 0.00 0.00 62 K 8.43 4.41 0.00 1.74 1.74 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.48 7.81 63 C 8.81 5.06 0.00 3.11 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 64 R 8.33 4.21 0.00 1.92 1.82 0.00 3.30 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00