NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.0762 8.4449 120.3634 56.1563 31.0026 171.8996 3 Y 4.8481 7.9605 119.2484 55.4453 39.9183 172.8303 4 E 4.2222 9.4385 122.4556 56.6377 31.1176 176.1619 5 E 4.6505 8.6161 120.5062 55.0702 33.3011 175.0587 6 G 3.8155 8.6978 105.9006 43.6148 0.0000 171.2771 7 P 4.3220 0.0000 0.0000 64.1273 31.4633 177.5503 8 G 3.9243 8.9948 110.4632 45.3795 0.0000 173.7494 9 K 4.4637 7.7400 116.4723 55.8074 34.2123 175.8654 10 N 4.8592 7.8957 115.9981 52.3627 38.0234 174.7641 11 I 4.5111 7.0552 110.1580 59.6686 40.5615 173.0485 12 P 4.3781 0.0000 0.0000 63.6386 31.7892 175.8183 13 F 4.9606 7.0359 113.4281 54.8482 40.5345 174.5912 14 S 4.4725 8.4524 116.0603 57.8501 63.0825 174.1456 15 V 4.5192 7.9118 118.8359 61.1360 32.4955 176.8100 16 E 3.9873 8.2437 123.7909 58.1685 29.7762 176.9963 17 N 4.9343 7.8633 117.2160 51.0910 41.5230 174.9277 18 K 3.7947 8.3299 127.9812 59.5520 32.6811 179.2883 19 W 4.4144 7.6045 119.7711 59.6162 29.2107 178.2624 20 R 3.9758 8.8302 119.0967 59.2669 29.4701 178.1017 21 L 3.9587 8.2763 120.5191 58.1345 42.0465 178.5345 22 L 3.9354 8.1692 120.1078 58.3381 42.0105 178.6440 23 A 4.0650 8.1951 120.4331 55.6676 18.2658 179.6320 24 M 4.0310 8.1236 116.9127 58.8481 32.1365 178.8975 25 M 4.1321 8.4901 119.2583 58.5983 32.0778 178.8858 26 T 3.9943 8.2092 115.9225 66.8608 68.7099 176.6026 27 L 4.0498 8.0091 120.7588 57.7103 41.4288 179.3501 28 F 4.0430 8.1436 120.6357 61.1557 39.3506 177.3816 29 F 4.2681 8.3303 117.2741 60.6139 38.8685 177.8835 30 G 3.8496 8.3197 105.6167 48.0022 0.0000 175.7698 31 S 4.2822 8.4047 116.6534 61.0175 62.7680 176.6252 32 G 3.5832 7.4515 108.5186 47.7867 0.0000 174.9409 33 F 4.3700 8.4101 122.4826 60.7208 39.7869 176.5864 34 A 4.5474 8.4705 119.8637 54.2689 18.5720 179.0673 35 A 4.0335 7.9768 119.7161 55.3433 18.3385 178.0083 36 P 4.0573 0.0000 0.0000 65.6273 31.2842 178.5473 37 F 3.9683 7.6665 116.0044 60.9178 38.7276 177.6508 38 F 4.0614 8.2305 116.3101 60.0131 38.6872 178.1838 39 I 3.7544 7.9131 119.9203 64.1611 36.8625 178.1087 40 V 3.5183 7.8812 119.5522 66.1750 31.2214 177.7815 41 R 3.7985 8.0080 118.0086 59.8070 29.6615 177.4087 42 H 4.0468 8.1667 116.6255 59.7633 30.0480 176.6118 43 Q 4.0605 8.2472 119.2363 58.8885 28.3692 178.5707 44 L 3.9954 7.8389 118.8458 57.9053 41.8240 179.1861 45 L 4.2642 8.0611 114.7909 56.1780 41.4117 178.0549 46 K 4.1712 7.8212 119.2681 56.7675 32.4319 175.9740 47 K 4.1065 7.5001 125.7890 56.6808 32.4321 176.2210 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 2 H 8.44 4.08 0.00 3.01 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.96 4.85 0.00 3.03 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.44 4.22 0.00 1.96 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 2.35 2.28 0.00 5 E 8.62 4.65 0.00 1.92 1.82 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 2.24 2.34 0.00 6 G 8.70 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 7 P 0.00 4.32 0.00 2.02 1.99 0.00 3.69 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 2.01 2.08 0.00 8 G 8.99 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 9 K 7.74 4.46 0.00 1.89 1.77 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.55 7.81 10 N 7.90 4.86 0.00 2.78 2.86 0.00 0.00 5.82 7.81 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 11 I 7.06 4.51 0.76 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.21 0.70 0.00 0.00 12 P 0.00 4.38 0.00 2.22 2.18 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.97 0.00 13 F 7.04 4.96 0.00 3.10 2.91 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 14 S 8.45 4.47 0.00 3.84 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 15 V 7.91 4.52 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 0.84 0.00 0.00 0.86 0.00 0.00 16 E 8.24 3.99 0.00 1.92 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 0.00 2.32 2.29 0.00 17 N 7.86 4.93 0.00 2.78 2.66 0.00 0.00 6.96 6.75 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 18 K 8.33 3.79 0.00 1.53 1.70 0.00 0.87 0.00 0.00 1.18 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.54 0.21 7.81 19 W 7.60 4.41 0.00 3.65 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 R 8.83 3.98 0.00 1.93 2.08 0.00 3.14 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 21 L 8.28 3.96 0.00 1.84 1.78 1.10 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.17 3.94 0.00 1.98 2.05 0.99 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.20 4.07 1.47 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 0.00 0.00 0.00 24 M 8.12 4.03 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.93 0.00 25 M 8.49 4.13 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 26 T 8.21 3.99 4.62 0.00 0.00 0.00 0.00 0.00 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 27 L 8.01 4.05 0.00 1.93 1.75 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.14 4.04 0.00 3.01 2.89 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 29 F 8.33 4.27 0.00 3.40 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 30 G 8.32 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 31 S 8.40 4.28 0.00 4.02 4.19 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 0.00 0.00 0.00 32 G 7.45 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.41 4.37 0.00 3.10 3.29 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 0.00 34 A 8.47 4.55 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.03 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 36 P 0.00 4.06 0.00 1.57 1.84 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 37 F 7.67 3.97 0.00 3.15 2.85 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 38 F 8.23 4.06 0.00 3.21 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 39 I 7.91 3.75 1.95 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 1.40 0.76 0.91 0.00 0.00 40 V 7.88 3.52 2.14 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 1.03 0.00 0.00 0.81 0.00 0.00 41 R 8.01 3.80 0.00 1.86 2.08 0.00 3.02 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 42 H 8.17 4.05 0.00 3.24 3.62 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.25 4.06 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 44 L 7.84 4.00 0.00 1.69 1.72 0.90 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.06 4.26 0.00 1.68 1.70 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.82 4.17 0.00 1.93 1.62 0.00 1.56 0.00 0.00 1.49 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.32 7.81 47 K 7.50 4.11 0.00 1.67 1.56 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.41 7.81