NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 5.0557 7.9332 114.6389 61.3365 69.5825 175.1973 3 K 3.7087 8.1863 120.9310 60.3541 31.9715 177.3882 4 Q 4.0630 8.8492 118.9924 58.8474 29.0494 178.2572 5 E 3.9724 8.1298 119.3274 59.4121 29.4951 179.3845 6 K 4.0611 8.0356 118.2178 59.4385 32.0369 179.4413 7 T 3.9502 7.9462 116.1239 66.8523 68.2499 176.4820 8 I 3.7121 7.8978 121.5013 64.2924 37.0033 178.3706 9 L 4.1027 7.8972 121.0033 58.2493 41.9643 178.7641 10 N 4.3989 8.9422 117.2895 56.6864 38.5868 177.1994 11 M 4.0919 8.3400 120.0929 58.4796 31.5487 178.7054 12 A 4.0282 7.8082 120.6052 55.3158 18.2118 179.6796 13 R 3.3553 7.7722 117.3097 59.3513 30.1299 178.4629 14 F 3.9294 8.4273 120.3869 60.8923 39.2726 177.3316 15 I 3.8453 7.9050 119.8433 63.9349 36.8259 178.2576 16 R 3.8204 7.4853 118.4303 59.2331 29.8746 178.9054 17 S 3.9820 7.2457 113.2717 61.7081 62.7592 176.2742 18 Q 3.7237 7.3240 121.8732 58.3741 28.3774 179.0667 19 A 3.9376 8.1609 121.7760 55.2923 18.4096 179.7374 20 L 3.9116 7.9173 117.2969 58.0183 41.7134 179.8754 21 T 3.9145 7.9702 116.1802 66.5321 68.3000 176.9256 22 I 3.7445 7.9413 122.1451 63.9207 36.9851 178.1786 23 L 3.8926 8.0850 121.5594 58.2463 41.9993 178.8269 24 E 3.9379 8.1261 118.3582 59.4833 29.4457 179.5828 25 K 3.9530 7.9769 117.9169 59.4463 32.0119 179.3100 26 A 4.0089 8.4470 121.4674 55.1874 18.2765 179.4463 27 N 4.0732 8.5363 115.4784 56.2771 38.3402 177.2372 28 E 3.9163 7.9832 119.9194 59.2102 29.9283 178.2826 29 L 4.1913 7.7110 115.5143 54.2142 42.2002 176.0596 30 D 4.3605 7.7533 117.3343 55.4446 40.2269 175.2050 31 A 4.4408 8.4237 121.7090 49.8492 16.9299 176.8001 32 D 4.3435 8.1710 123.9065 57.4100 41.5090 178.2373 33 E 3.9810 8.1514 118.0066 59.6913 29.4644 179.5056 34 I 3.7880 7.7306 119.0123 64.1478 37.0977 178.1968 35 A 3.9910 8.1903 121.9611 55.0650 18.1816 179.4208 36 D 4.3358 8.2060 117.6497 57.3009 40.8547 179.0985 37 I 3.7246 7.7309 119.8566 64.3065 37.1647 178.2102 38 A 4.0020 8.1816 121.7841 55.1123 18.0825 179.2783 39 E 3.8330 7.9726 117.8071 59.4620 29.6707 179.0092 40 S 4.0110 7.8342 112.6774 61.5470 62.3966 176.2580 41 I 3.8646 8.2266 122.8058 64.2656 36.7039 178.0875 42 H 4.0979 8.1552 119.4088 59.4815 29.5899 177.0858 43 D 4.5018 8.0970 119.3167 57.5875 40.8690 178.3888 44 H 4.4397 8.6135 117.0071 58.6916 28.8233 177.5615 45 A 4.0225 8.2472 122.8568 55.3301 18.2137 179.2035 46 D 4.5913 8.5480 116.6052 57.0516 41.0608 177.7507 47 E 4.1586 8.2050 119.6389 58.4809 29.6110 178.4068 48 I 3.8400 7.5979 119.7402 64.1422 37.4311 177.2469 49 Y 4.2348 8.5247 120.8182 60.9211 38.5444 178.6082 50 R 3.6694 7.8639 118.4156 59.2645 30.1148 179.0995 51 S 4.0628 7.8490 114.5519 61.5376 62.6022 176.5240 52 A 3.9396 7.9925 122.2953 55.1766 18.2474 179.0003 53 L 3.9179 7.3244 115.7047 58.1031 41.8362 179.2450 54 A 4.0796 7.7973 118.9510 55.5105 18.3902 177.8864 55 R 4.1156 8.0567 119.8915 56.7460 30.3213 175.9991 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 T 7.93 5.06 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 3 K 8.19 3.71 0.00 1.92 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.59 7.81 4 Q 8.85 4.06 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 E 8.13 3.97 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 6 K 8.04 4.06 0.00 1.98 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.57 7.81 7 T 7.95 3.95 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 1.22 0.00 0.00 8 I 7.90 3.71 2.07 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 1.43 0.89 0.94 0.00 0.00 9 L 7.90 4.10 0.00 1.93 1.84 0.87 0.79 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 10 N 8.94 4.40 0.00 2.77 2.85 0.00 0.00 7.09 5.12 0.00 0.00 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 M 8.34 4.09 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.80 0.00 12 A 7.81 4.03 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 13 R 7.77 3.36 0.00 1.38 1.95 0.00 2.97 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.00 14 F 8.43 3.93 0.00 3.12 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.85 1.99 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 1.56 0.87 0.89 0.00 0.00 16 R 7.49 3.82 0.00 1.90 1.85 0.00 2.90 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 17 S 7.25 3.98 0.00 3.85 3.94 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 18 Q 7.32 3.72 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.08 1.49 0.00 19 A 8.16 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 3.91 0.00 1.87 1.68 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.97 3.91 4.34 0.00 0.00 0.00 0.00 0.00 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 22 I 7.94 3.74 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.90 0.00 0.00 23 L 8.09 3.89 0.00 1.80 1.82 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.13 3.94 0.00 2.01 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 2.48 2.48 0.00 25 K 7.98 3.95 0.00 1.97 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 26 A 8.45 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.54 4.07 0.00 2.95 2.87 0.00 0.00 6.64 7.50 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 28 E 7.98 3.92 0.00 1.97 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 0.00 2.32 2.35 0.00 29 L 7.71 4.19 0.00 1.68 1.69 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.75 4.36 0.00 2.79 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 31 A 8.42 4.44 1.26 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 32 D 8.17 4.34 0.00 2.69 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 33 E 8.15 3.98 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 34 I 7.73 3.79 1.99 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 1.57 0.58 0.90 0.00 0.00 35 A 8.19 3.99 1.38 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 0.00 0.00 36 D 8.21 4.34 0.00 2.93 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 37 I 7.73 3.72 1.87 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 1.46 0.97 0.92 0.00 0.00 38 A 8.18 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.97 3.83 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 40 S 7.83 4.01 0.00 3.94 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 41 I 8.23 3.86 2.02 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 1.44 0.72 0.91 0.00 0.00 42 H 8.16 4.10 0.00 3.18 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.10 4.50 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.61 4.44 0.00 3.22 3.33 0.00 5.64 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 45 A 8.25 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.55 4.59 0.00 2.72 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 47 E 8.20 4.16 0.00 2.37 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 0.00 2.32 2.41 0.00 48 I 7.60 3.84 2.08 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 1.55 0.81 0.96 0.00 0.00 49 Y 8.52 4.23 0.00 3.03 3.15 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 50 R 7.86 3.67 0.00 1.87 1.91 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.96 0.00 51 S 7.85 4.06 0.00 4.00 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 52 A 7.99 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.32 3.92 0.00 1.60 1.61 0.31 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.80 4.08 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 55 R 8.06 4.12 0.00 1.79 1.81 0.00 3.29 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00