NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1I K 4.1703 8.3144 120.1370 51.7820 34.8108 174.0749 2I K 3.5369 8.1613 122.4700 55.0036 29.6465 170.4727 3I V 4.4090 8.1049 121.5355 60.0651 34.8502 176.0244 4I C 4.7471 8.1400 117.2907 55.4084 44.3366 173.6592 5I A 4.3147 8.3597 123.5584 52.0142 17.1830 177.5002 6I C 5.0997 8.2284 118.1433 54.8758 44.3820 172.9364 7I P 4.5815 0.0000 0.0000 62.9683 31.5233 175.8071 8I K 4.3955 8.2920 117.7871 56.9339 32.5637 176.9714 9I I 4.0367 7.6119 118.0180 59.9832 39.0197 174.7366 10I L 4.5198 8.2288 128.2514 53.7872 42.0636 176.0542 11I K 4.6752 8.8069 128.6517 53.6997 33.4165 172.7679 12I P 5.5531 0.0000 0.0000 62.3894 33.0465 175.3898 13I V 4.9599 8.2894 113.9819 60.0496 36.6126 174.7451 14I C 5.0207 9.4357 122.9876 54.7270 45.6733 172.7213 15I G 4.5946 8.5588 114.1900 46.0836 0.0000 173.3977 16I S 4.4929 8.6483 120.1480 58.2873 64.0770 172.1688 17I D 4.6654 8.4300 123.3545 53.1316 40.3271 174.9908 18I G 5.6697 7.2716 118.3483 47.0651 0.0000 171.5375 19I R 4.3940 7.1643 120.0608 54.7685 32.1190 175.2918 20I T 4.8454 8.1135 117.3339 60.5907 70.1163 172.4715 21I Y 4.9036 8.9370 125.1957 55.9570 40.6476 176.6324 22I A 4.0025 8.8356 125.2193 55.5252 18.9136 177.1165 23I N 6.0218 7.9105 112.5485 51.7573 41.1512 175.5331 24I S 4.0982 8.5063 115.2955 61.7334 63.0065 176.6984 25I C 4.1243 8.2710 121.7054 59.6076 38.5647 175.5926 26I I 3.5961 8.3133 121.1115 64.1168 36.5555 178.0591 27I A 2.8068 7.5719 121.1293 55.1040 18.0260 179.8954 28I R 3.7360 7.9019 115.4274 59.1959 30.1309 178.2968 29I C 4.3189 7.6779 117.7082 59.7674 43.7312 175.1828 30I N 4.4731 7.6227 116.3623 56.4264 38.2689 175.4298 31I G 3.7697 7.8188 114.3385 46.0589 0.0000 173.7496 32I V 3.3946 7.2805 119.8335 62.4072 31.9401 175.4468 33I S 4.2537 8.2767 123.1854 57.6216 63.5500 173.8497 34I I 4.0836 8.1425 117.7416 60.7501 35.8812 175.3066 35I K 4.0072 8.6942 129.7252 59.6314 32.5530 176.6445 36I S 4.4862 7.4102 110.0559 57.5910 64.9507 173.2905 37I E 4.4862 8.5502 124.7458 55.6648 30.2001 175.1050 38I G 3.9563 8.1430 111.8744 44.0329 0.0000 173.4545 39I S 4.8667 8.5912 115.4807 57.8852 63.8888 172.6498 40I C 4.9862 8.3420 110.6502 54.6272 42.9703 170.6157 41I P 4.2537 0.0000 0.0000 64.4229 30.5310 178.7915 42I T 4.5015 8.6446 113.8137 59.8762 67.0215 174.5699 43I G 4.0931 6.7873 114.3896 43.4728 0.0000 170.7946 44I I 4.3764 5.9137 116.4377 60.3763 39.7602 172.9576 45I L 4.6571 7.6579 119.3222 54.2565 43.3414 176.6040 46I N 4.6523 8.2519 121.9885 53.6914 37.9760 174.1727 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 1I K 8.31 4.17 0.00 1.77 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 2I K 8.16 3.54 0.00 1.96 2.18 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.53 7.81 3I V 8.10 4.41 2.09 0.00 0.00 0.00 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 4I C 8.14 4.75 0.00 2.90 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5I A 8.36 4.31 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 6I C 8.23 5.10 0.00 2.91 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 7I P 0.00 4.58 0.00 2.18 2.05 0.00 3.75 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 1.99 1.98 0.00 8I K 8.29 4.40 0.00 1.77 1.87 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 9I I 7.61 4.04 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.92 0.00 0.00 10I L 8.23 4.52 0.00 1.61 1.58 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 11I K 8.81 4.68 0.00 1.82 1.62 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.43 7.81 12I P 0.00 5.55 0.00 2.12 1.99 0.00 3.88 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 13I V 8.29 4.96 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 0.73 0.00 0.00 1.11 0.00 0.00 14I C 9.44 5.02 0.00 3.11 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 15I G 8.56 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16I S 8.65 4.49 0.00 3.94 3.81 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 17I D 8.43 4.67 0.00 2.80 2.75 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 0.00 0.00 0.00 0.00 18I G 7.27 5.67 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 0.00 0.00 0.00 19I R 7.16 4.39 0.00 1.60 1.44 0.00 3.08 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 20I T 8.11 4.85 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 1.13 0.00 0.00 21I Y 8.94 4.90 0.00 2.92 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 22I A 8.84 4.00 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 23I N 7.91 6.02 0.00 2.98 3.05 0.00 0.00 6.49 7.14 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 24I S 8.51 4.10 0.00 4.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25I C 8.27 4.12 0.00 3.00 3.31 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 26I I 8.31 3.60 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.09 1.00 0.00 0.00 27I A 7.57 2.81 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 28I R 7.90 3.74 0.00 1.72 1.97 0.00 3.14 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 29I C 7.68 4.32 0.00 3.06 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 30I N 7.62 4.47 0.00 2.63 2.83 0.00 0.00 7.12 7.58 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 31I G 7.82 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 0.00 0.00 0.00 32I V 7.28 3.39 1.92 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 1.09 0.00 0.00 1.09 0.00 0.00 33I S 8.28 4.25 0.00 4.07 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 34I I 8.14 4.08 1.89 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 1.29 0.60 0.91 0.00 0.00 35I K 8.69 4.01 0.00 1.92 1.91 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.44 7.81 36I S 7.41 4.49 0.00 3.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37I E 8.55 4.49 0.00 1.97 1.84 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 2.26 2.31 0.00 38I G 8.14 3.96 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 0.00 0.00 0.00 39I S 8.59 4.87 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40I C 8.34 4.99 0.00 3.01 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 41I P 0.00 4.25 0.00 2.18 1.21 0.00 3.57 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 2.12 2.10 0.00 42I T 8.64 4.50 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 1.20 0.00 0.00 43I G 6.79 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44I I 5.91 4.38 1.63 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.32 0.47 0.00 0.00 45I L 7.66 4.66 0.00 1.58 1.63 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 46I N 8.25 4.65 0.00 2.87 2.90 0.00 0.00 6.92 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