NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3618 8.1749 117.2952 63.5485 69.9813 172.6579 4 Y 4.4989 8.6340 123.4576 55.6020 40.6202 173.4056 5 L 4.4715 8.3080 125.8895 53.3133 44.4567 176.1744 6 Q 4.5587 8.6098 125.6247 55.5341 28.6283 172.5454 7 S 4.9671 9.3848 120.7900 55.7487 65.6215 174.5494 8 S 4.3675 8.6478 113.2980 60.3317 63.0264 174.2923 9 E 4.4567 9.5970 119.5242 55.8026 30.1380 175.8516 10 G 4.0837 6.7858 105.6382 43.4992 0.0000 172.5413 11 K 4.9320 8.2372 119.1273 56.0395 35.0482 175.6234 12 F 5.4550 8.1279 115.0502 55.6957 42.1754 173.2589 13 I 4.4335 9.2899 122.0817 59.8876 37.7802 174.1833 14 P 5.2181 0.0000 0.0000 62.5639 32.0073 176.2312 15 A 4.6758 9.0099 122.8964 52.1133 19.3308 176.8329 16 T 4.9590 8.5500 108.6837 59.8265 72.8599 172.4980 17 K 3.5864 8.0610 124.0891 55.1641 33.1816 176.6491 18 R 4.2455 8.6988 126.4648 54.5411 31.2024 175.6752 19 P 4.2575 0.0000 0.0000 65.8604 31.3068 177.2485 20 D 4.5088 7.9030 114.5077 53.4501 39.5293 176.6163 21 G 3.8764 8.3195 110.2829 45.6119 0.0000 174.2878 22 T 4.3014 7.5642 109.6251 61.3687 70.4597 173.4358 23 W 5.1384 8.5964 121.3576 54.9724 31.5440 175.8532 24 R 4.5423 9.3738 123.8444 55.1286 30.9639 176.5382 25 K 4.2387 8.7254 122.4772 56.8241 33.4793 176.5268 26 A 4.5774 8.4412 123.0961 52.1139 19.7582 177.1419 27 R 4.6534 9.0449 120.7413 54.8458 33.8240 176.1787 28 R 4.6039 8.9043 124.5033 56.9539 30.3733 172.5498 29 V 4.5935 8.2612 121.4777 60.2972 34.3154 175.5275 30 K 3.9712 8.7265 127.8212 56.3622 32.6552 175.6682 31 D 4.4950 8.6455 125.5699 56.2161 41.0049 176.8271 32 G 3.8706 8.9817 111.5702 45.8084 0.0000 171.8638 33 Y 4.6434 7.5186 119.9904 55.6770 40.2780 175.5903 34 V 3.6984 6.9063 124.0423 61.0418 34.3640 171.3959 35 P 4.2459 0.0000 0.0000 63.0228 31.1195 176.0658 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 T 8.17 4.36 4.16 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 1.17 0.00 0.00 4 Y 8.63 4.50 0.00 2.82 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 5 L 8.31 4.47 0.00 0.54 1.24 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.61 4.56 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 7 S 9.38 4.97 0.00 4.09 4.50 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 0.00 0.00 0.00 8 S 8.65 4.37 0.00 4.02 4.06 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 9 E 9.60 4.46 0.00 2.00 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 0.00 2.26 2.37 0.00 10 G 6.79 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 11 K 8.24 4.93 0.00 1.84 1.90 0.00 0.87 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 F 8.13 5.45 0.00 3.20 3.22 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 0.00 13 I 9.29 4.43 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 1.06 0.85 0.88 0.00 0.00 14 P 0.00 5.22 0.00 2.20 2.15 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 2.01 1.94 0.00 15 A 9.01 4.68 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 T 8.55 4.96 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 1.33 0.00 0.00 17 K 8.06 3.59 0.00 0.79 1.06 0.00 1.33 0.00 0.00 1.39 0.00 0.00 2.57 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.81 0.37 7.81 18 R 8.70 4.25 0.00 1.93 1.73 0.00 3.16 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 19 P 0.00 4.26 0.00 1.98 2.08 0.00 3.60 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 1.98 2.03 0.00 20 D 7.90 4.51 0.00 2.75 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 21 G 8.32 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 22 T 7.56 4.30 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 1.27 0.00 0.00 23 W 8.60 5.14 0.00 3.17 3.19 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 24 R 9.37 4.54 0.00 1.80 1.89 0.00 3.14 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 25 K 8.73 4.24 0.00 1.77 1.85 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.48 7.81 26 A 8.44 4.58 1.14 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 0.00 0.00 0.00 27 R 9.04 4.65 0.00 1.82 1.86 0.00 3.18 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 28 R 8.90 4.60 0.00 1.60 1.72 0.00 3.21 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 29 V 8.26 4.59 2.27 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 1.15 0.00 0.00 1.35 0.00 0.00 30 K 8.73 3.97 0.00 1.76 1.65 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.53 1.47 7.81 31 D 8.65 4.49 0.00 2.72 2.63 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 32 G 8.98 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 33 Y 7.52 4.64 0.00 2.91 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 34 V 6.91 3.70 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 0.63 0.00 0.00 0.66 0.00 0.00 35 P 0.00 4.25 0.00 2.04 1.99 0.00 3.63 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00