NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3883 8.1576 122.0488 56.3631 33.9296 174.2029 2 S 4.6469 8.5257 122.1081 57.1849 64.6590 172.7442 3 C 4.9806 9.8040 121.5438 55.4342 45.0801 173.6378 4 C 5.5843 8.7293 120.5318 54.4090 43.1359 173.5191 5 P 3.9273 0.0000 0.0000 65.2671 31.6404 176.6426 6 S 4.6002 7.5166 112.3443 56.3214 66.7998 175.1412 7 T 3.8705 8.4334 118.8215 67.0856 68.0465 176.9222 8 T 3.9687 7.9950 117.2836 66.5261 68.4528 176.5350 9 G 3.7004 8.2110 107.5758 47.9146 0.0000 175.5029 10 R 3.9582 8.1613 121.5051 59.3344 30.0064 178.3880 11 N 4.3883 8.4662 116.2925 56.2162 38.4276 177.5027 12 I 3.6970 8.1266 121.5955 64.4660 37.2252 177.7188 13 Y 3.9856 8.2784 120.4178 60.9243 38.4282 178.0239 14 N 4.3417 8.3412 116.0491 56.5339 38.9295 177.2715 15 T 3.9774 8.1310 117.3067 66.8274 68.5941 175.7065 16 C 4.1523 8.3727 120.6240 59.8793 41.8560 175.8038 17 R 3.6444 7.8814 118.8819 58.3759 29.3497 178.4096 18 L 4.2609 7.5742 118.0251 56.5021 41.8098 177.6731 19 T 4.0537 7.6329 108.0881 61.9719 69.2603 175.8631 20 G 3.9089 7.6733 109.5034 45.4330 0.0000 174.0892 21 S 4.3194 7.3357 115.4823 57.8425 63.6457 174.8664 22 S 4.4284 8.2411 117.6678 58.0494 65.0299 175.5195 23 R 3.9854 8.4537 121.4137 59.3581 29.8067 178.9726 24 E 3.9567 8.1376 118.6533 59.5540 29.6111 178.7772 25 T 3.8555 7.9914 115.7195 67.0542 68.4279 176.0731 26 C 4.2951 8.4101 118.1373 59.7206 34.5711 175.9692 27 A 4.1093 8.6354 123.0130 55.0168 17.7221 179.7534 28 K 3.9008 7.8273 115.9577 59.8540 32.3228 179.4744 29 L 4.1738 7.6369 117.6175 56.8395 41.5849 178.6685 30 S 4.6915 7.8533 112.4582 57.3802 63.8682 175.1979 31 G 3.9333 7.7331 109.7774 46.2463 0.0000 172.9367 32 C 4.8453 7.8675 116.4848 56.1538 41.6402 173.0176 33 K 4.5947 8.8854 119.4074 54.6849 35.0252 175.4439 34 I 4.7285 8.1812 124.3904 59.9067 38.5523 175.1853 35 I 4.4778 8.5133 127.6583 59.5463 40.7690 176.5239 36 S 4.3697 8.6789 121.2969 56.4123 60.7352 172.4647 37 A 4.5961 7.5748 125.6541 50.8514 22.0512 176.5852 38 S 4.6051 8.4966 112.9026 58.5378 63.7110 173.7812 39 T 4.6956 7.3576 109.7925 60.7319 71.6931 173.3248 40 C 4.9295 8.3435 119.0224 54.3693 43.0159 172.3688 41 P 4.6726 0.0000 0.0000 62.1155 31.8627 177.5930 42 S 4.1700 8.5773 114.0544 61.0382 62.9042 174.8599 43 N 4.5020 8.0540 115.9959 53.6360 38.1709 174.6240 44 Y 4.7760 7.7169 116.1686 56.3525 38.5304 173.3371 45 P 4.6015 0.0000 0.0000 62.9019 32.8805 177.0097 46 K 4.1731 8.1198 124.3705 56.7536 32.0976 176.0837 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 K 8.16 4.39 0.00 1.94 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 2 S 8.53 4.65 0.00 3.10 3.30 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 3 C 9.80 4.98 0.00 2.72 3.25 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 C 8.73 5.58 0.00 2.73 2.97 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 0.00 0.00 0.00 5 P 0.00 3.93 0.00 2.12 2.10 0.00 3.88 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 6 S 7.52 4.60 0.00 4.02 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 7 T 8.43 3.87 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 1.22 0.00 0.00 8 T 8.00 3.97 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 1.23 0.00 0.00 9 G 8.21 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 10 R 8.16 3.96 0.00 1.96 2.15 0.00 3.20 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 11 N 8.47 4.39 0.00 2.94 2.87 0.00 0.00 7.07 7.00 0.00 0.00 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 I 8.13 3.70 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.95 0.00 0.00 13 Y 8.28 3.99 0.00 3.14 3.14 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 14 N 8.34 4.34 0.00 2.77 2.90 0.00 0.00 7.15 8.32 0.00 0.00 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 T 8.13 3.98 4.41 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 1.20 0.00 0.00 16 C 8.37 4.15 0.00 2.96 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 17 R 7.88 3.64 0.00 1.79 1.82 0.00 3.26 0.00 0.00 2.81 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.13 0.00 18 L 7.57 4.26 0.00 1.70 1.70 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.63 4.05 4.21 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 1.18 0.00 0.00 20 G 7.67 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 21 S 7.34 4.32 0.00 3.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 4.43 0.00 4.05 3.99 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 23 R 8.45 3.99 0.00 1.94 2.16 0.00 3.18 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 24 E 8.14 3.96 0.00 2.04 1.95 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 2.39 2.41 0.00 25 T 7.99 3.86 4.37 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 1.20 0.00 0.00 26 C 8.41 4.30 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 27 A 8.64 4.11 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 28 K 7.83 3.90 0.00 1.98 1.91 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.66 7.81 29 L 7.64 4.17 0.00 1.61 1.75 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.85 4.69 0.00 4.31 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 31 G 7.73 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 0.00 0.00 0.00 32 C 7.87 4.85 0.00 2.78 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 33 K 8.89 4.59 0.00 1.16 1.38 0.00 1.42 0.00 0.00 1.42 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.67 7.81 34 I 8.18 4.73 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 1.34 0.86 0.90 0.00 0.00 35 I 8.51 4.48 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.48 0.88 0.00 0.00 36 S 8.68 4.37 0.00 3.81 3.77 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 37 A 7.57 4.60 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 38 S 8.50 4.61 0.00 3.98 3.97 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 0.00 0.00 0.00 39 T 7.36 4.70 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 1.21 0.00 0.00 40 C 8.34 4.93 0.00 2.98 3.25 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 41 P 0.00 4.67 0.00 2.52 2.22 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.03 0.00 42 S 8.58 4.17 0.00 3.99 4.05 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 43 N 8.05 4.50 0.00 2.59 2.88 0.00 0.00 5.79 7.55 0.00 0.00 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 Y 7.72 4.78 0.00 2.88 2.94 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 0.00 0.00 0.00 45 P 0.00 4.60 0.00 2.17 2.15 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 46 K 8.12 4.17 0.00 1.87 1.76 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81