NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5555 8.3293 118.3645 58.8602 30.0693 173.0982 2 S 4.1864 8.0781 112.9812 58.2580 65.2015 173.4211 3 K 3.7940 9.0173 122.1760 56.1162 30.6330 176.0320 4 N 4.0351 7.7943 112.8238 53.7148 36.5216 175.8387 5 R 4.1386 7.5315 117.6895 56.8796 30.6813 177.4924 6 K 4.3550 7.7877 115.0092 57.4155 32.9493 172.8878 7 A 3.8074 8.6892 132.1554 53.2169 17.8360 178.1674 8 K 3.7242 7.6819 111.9392 55.7696 28.9697 174.7281 9 A 4.4756 7.4019 116.3383 52.2623 21.7535 177.3938 10 K 4.2243 8.1853 118.1343 58.1586 33.4317 174.6824 11 P 4.3951 0.0000 0.0000 62.7051 30.0362 176.7710 12 V 3.6315 8.2230 123.5926 65.9709 31.8588 178.4977 13 T 3.9216 7.8587 114.8272 66.1152 68.3454 174.6530 14 R 4.1967 7.7996 119.6818 55.4535 29.9575 175.8718 15 G 4.1113 8.2780 104.1750 46.6529 0.0000 173.2490 16 T 4.0104 8.0688 117.3378 63.1401 67.0182 174.0920 17 G 3.4815 7.4096 112.4150 44.1230 0.0000 171.1386 18 A 3.6868 7.9548 119.7393 51.9891 15.7403 180.8753 19 G 3.5683 8.2840 111.0146 49.7655 0.0000 175.5402 20 S 4.3595 7.9754 111.6976 57.2978 63.7593 173.9652 21 R 4.3061 7.5086 116.8449 55.4910 30.1578 174.7122 22 P 4.1969 0.0000 0.0000 64.8004 31.6128 177.0497 23 R 3.6081 8.0216 107.9750 56.9616 28.1174 176.0134 24 G 3.5784 7.8609 121.9360 45.8993 0.0000 172.1612 25 Q 3.0802 8.1860 112.8165 57.7106 27.1450 174.1542 26 N 4.9067 7.7966 114.0599 53.8053 39.7226 174.4831 27 K 4.4785 7.3174 112.4866 56.6520 33.5342 175.4906 28 E 3.6714 7.0919 117.8611 55.5821 28.6023 175.0940 29 R 4.6710 8.4092 123.5625 56.7037 37.2179 173.2162 30 P 4.6033 0.0000 0.0000 60.0829 30.2847 173.4417 31 P 4.3263 0.0000 0.0000 66.3478 31.3233 175.3632 32 P 4.1032 0.0000 0.0000 61.0490 32.1208 175.3073 33 V 4.3849 8.0213 120.8968 60.0038 33.6200 173.5728 34 P 4.3007 0.0000 0.0000 63.6987 31.9694 176.5550 35 N 4.6731 8.7676 118.9090 55.3456 39.0920 175.7499 36 P 4.4939 0.0000 0.0000 64.5171 31.2745 176.8972 37 D 4.6978 7.8237 116.4320 54.1393 39.8752 176.4449 38 Y 4.2947 8.3582 120.8778 57.8492 40.3724 174.9781 39 E 4.6488 7.6528 116.1505 54.9299 28.3867 174.1467 40 P 4.7613 0.0000 0.0000 63.8873 31.8461 179.2451 41 I 3.8173 7.3293 121.3504 64.2040 37.0553 177.1482 42 R 4.0669 7.1636 120.1845 55.6788 27.5243 174.7896 43 K 4.1684 7.8721 113.8207 55.8213 33.5866 175.7287 44 G 3.6624 9.1842 114.5667 48.1678 0.0000 172.0910 45 Q 3.3255 7.5659 118.0779 56.3236 27.1717 172.9628 46 R 4.7156 7.5385 112.8372 55.2775 35.8042 176.4378 47 D 4.9209 8.0420 117.9169 54.0283 40.9891 177.7262 48 L 3.9799 7.8153 120.9963 57.7160 42.3186 177.3595 49 Y 4.0417 7.9515 119.4024 60.0581 38.9274 177.3256 50 S 4.3705 8.1890 115.0421 61.2637 63.1752 175.8875 51 G 3.8257 8.1721 106.8248 45.5468 0.0000 174.2932 52 L 4.2615 7.2897 121.6382 55.2500 42.5364 177.0160 53 N 4.1982 7.9019 117.2110 55.5713 36.6323 174.9017 54 Q 3.2338 8.7877 116.4761 55.2626 28.0327 170.4334 55 R 3.3436 8.3185 118.9820 57.1585 30.5238 176.2957 56 A 3.7573 8.6061 127.9233 52.9791 15.8303 176.4506 57 V 3.7816 7.4486 123.5233 61.3545 31.3288 177.1246 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 C 8.33 4.56 0.00 2.98 3.02 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 0.00 0.00 0.00 2 S 8.08 4.19 0.00 4.03 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 3 K 9.02 3.79 0.00 1.95 1.90 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.35 7.81 4 N 7.79 4.04 0.00 2.84 2.90 0.00 0.00 6.89 7.54 0.00 0.00 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 R 7.53 4.14 0.00 1.85 1.97 0.00 3.39 0.00 0.00 3.28 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 6 K 7.79 4.36 0.00 1.82 1.78 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 1.27 7.81 7 A 8.69 3.81 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 8 K 7.68 3.72 0.00 1.89 1.84 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.36 7.81 9 A 7.40 4.48 1.21 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 0.00 0.00 0.00 10 K 8.19 4.22 0.00 1.74 1.85 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.37 7.81 11 P 0.00 4.40 0.00 2.17 2.03 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 12 V 8.22 3.63 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 1.07 0.00 0.00 0.97 0.00 0.00 13 T 7.86 3.92 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 1.28 0.00 0.00 14 R 7.80 4.20 0.00 1.81 2.02 0.00 3.41 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 15 G 8.28 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.01 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 17 G 7.41 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 3.69 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 19 G 8.28 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.98 4.36 0.00 3.99 3.98 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 21 R 7.51 4.31 0.00 2.08 2.13 0.00 3.07 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 22 P 0.00 4.20 0.00 2.20 2.22 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 23 R 8.02 3.61 0.00 2.01 2.14 0.00 3.02 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 24 G 7.86 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 25 Q 8.19 3.08 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 7.42 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 26 N 7.80 4.91 0.00 2.68 2.80 0.00 0.00 7.08 6.68 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 27 K 7.32 4.48 0.00 1.84 1.84 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.47 7.81 28 E 7.09 3.67 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 29 R 8.41 4.67 0.00 1.94 1.87 0.00 3.23 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 30 P 0.00 4.60 0.00 2.22 2.07 0.00 3.86 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 1.95 1.94 0.00 31 P 0.00 4.33 0.00 2.20 2.26 0.00 3.84 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 2.00 2.04 0.00 32 P 0.00 4.10 0.00 2.07 2.04 0.00 3.58 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 33 V 8.02 4.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 34 P 0.00 4.30 0.00 2.09 2.01 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 35 N 8.77 4.67 0.00 2.73 2.85 0.00 0.00 7.09 8.02 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 36 P 0.00 4.49 0.00 2.17 2.13 0.00 3.53 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 37 D 7.82 4.70 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.36 4.29 0.00 3.05 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 39 E 7.65 4.65 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 40 P 0.00 4.76 0.00 2.19 2.25 0.00 3.55 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.86 0.00 41 I 7.33 3.82 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.37 0.90 0.00 0.00 42 R 7.16 4.07 0.00 1.99 1.92 0.00 3.37 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 43 K 7.87 4.17 0.00 1.79 1.87 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.43 7.81 44 G 9.18 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.57 3.33 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 46 R 7.54 4.72 0.00 1.79 1.89 0.00 3.24 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.90 0.00 47 D 8.04 4.92 0.00 2.70 2.70 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 48 L 7.82 3.98 0.00 1.67 1.74 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.95 4.04 0.00 3.10 2.92 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 50 S 8.19 4.37 0.00 4.13 4.18 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 51 G 8.17 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 0.00 0.00 0.00 52 L 7.29 4.26 0.00 1.63 1.38 0.84 0.86 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 53 N 7.90 4.20 0.00 2.97 3.11 0.00 0.00 6.76 8.37 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 54 Q 8.79 3.23 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.17 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 55 R 8.32 3.34 0.00 1.94 1.89 0.00 3.59 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 56 A 8.61 3.76 1.30 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 0.00 0.00 57 V 7.45 3.78 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.94 0.00 0.00