NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3241 8.2549 117.2873 55.4562 31.5266 174.6439 5 I 4.0552 7.5838 120.8943 60.8570 38.4876 173.6159 6 R 5.1177 9.5457 125.4456 54.3176 34.8250 174.0841 7 K 4.7620 9.0239 120.5956 54.9266 36.2144 174.5104 8 C 4.4827 9.0082 128.2700 58.2876 31.8542 172.6515 9 P 4.2095 0.0000 0.0000 65.3964 30.6126 177.0487 10 K 4.1206 7.2254 117.8983 58.4224 32.4287 177.3911 11 C 4.1506 7.8908 120.2483 59.4528 30.6591 175.0498 12 G 3.7007 8.0040 108.3131 45.7538 0.0000 173.1051 13 R 4.2829 7.5777 119.4580 55.6185 31.5690 174.9005 14 Y 4.8326 8.4549 122.7742 58.0211 39.3841 174.3984 15 T 4.4758 8.8602 116.3047 62.0646 71.2084 173.5885 16 L 4.8698 8.5623 122.9708 55.0276 42.1035 177.7748 17 K 4.1910 7.8409 119.1043 56.1348 32.7392 177.5658 18 E 4.1922 8.7523 122.7355 58.4424 30.9276 175.8084 19 T 4.9231 7.1675 111.0196 59.7803 69.9639 173.1456 20 C 3.8687 9.4170 129.7761 59.7090 31.9165 172.6942 21 P 4.1871 0.0000 0.0000 65.6907 30.5604 177.3268 22 V 3.6817 7.0418 117.4473 64.6192 31.6765 175.2236 23 C 4.3876 8.1213 111.8876 57.4565 30.3330 174.3057 24 G 4.6178 7.8920 107.0728 46.1344 0.0000 173.1262 25 E 4.3811 7.3350 119.6709 54.4687 31.6204 175.5680 26 K 4.5326 8.5776 124.6436 56.6252 32.0987 177.0192 27 T 4.2385 8.2735 115.6269 61.7594 69.7233 173.6934 28 K 4.7407 8.7893 121.4212 53.9796 36.5182 175.8581 29 V 3.8701 8.3864 121.4941 63.5244 31.3144 175.9252 30 A 4.3537 8.7735 130.2761 55.1026 18.7546 178.0368 31 H 4.5937 8.0857 109.4134 54.1531 29.8220 173.3323 32 P 4.5553 0.0000 0.0000 61.3304 32.1858 174.3987 33 P 4.4464 0.0000 0.0000 62.5557 31.7573 176.5143 34 R 4.0395 8.5239 119.2266 56.6831 30.5713 175.7534 35 F 4.8465 8.7163 123.1958 56.4610 41.4417 174.6970 36 S 4.5028 7.6595 123.8423 56.1723 64.0354 173.4791 37 P 4.1381 0.0000 0.0000 65.4674 31.4007 177.7637 38 E 3.8813 8.0289 116.8050 57.4974 30.2600 176.2460 39 D 4.1397 7.6772 117.0282 54.0429 39.6704 171.8625 40 P 4.1605 0.0000 0.0000 65.7910 31.9432 178.0046 41 Y 4.2430 7.9534 116.9758 57.1754 38.8241 176.6025 42 G 3.9003 7.8366 107.1253 49.0133 0.0000 175.2176 43 E 3.9465 8.1008 121.6224 59.0747 29.6921 178.4274 44 Y 3.8610 7.6925 116.1774 60.8028 37.8168 178.0382 45 R 4.0172 7.9852 120.0222 59.7417 30.2026 178.8558 46 R 3.9297 8.1833 117.8368 59.0943 30.0893 178.9030 47 R 3.8374 7.9555 118.6358 59.3978 30.0085 178.6614 48 L 3.9892 7.9441 118.6407 57.8243 41.6067 179.6238 49 K 4.0236 8.2916 118.5816 59.5316 31.9620 179.6494 50 R 3.9201 8.7091 118.7072 59.1554 29.8170 178.9345 51 E 3.9314 8.0334 117.8498 59.5635 29.3039 179.4723 52 L 4.0258 7.7535 117.4995 57.4079 41.7771 178.8306 53 L 4.3688 8.1956 116.8533 54.0373 42.3978 176.4590 54 G 3.7533 7.6983 106.5638 46.7242 0.0000 173.6849 55 I 4.2831 8.2654 119.6203 60.4562 39.1960 176.7935 56 G 4.0031 8.7681 112.2431 45.7719 0.0000 173.1415 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 4 R 8.25 4.32 0.00 1.95 2.12 0.00 3.00 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 5 I 7.58 4.06 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 1.05 0.00 0.00 6 R 9.55 5.12 0.00 1.91 1.80 0.00 3.30 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 7 K 9.02 4.76 0.00 1.36 1.40 0.00 1.02 0.00 0.00 1.36 0.00 0.00 2.60 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.04 0.69 7.81 8 C 9.01 4.48 0.00 2.95 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 9 P 0.00 4.21 0.00 2.05 2.07 0.00 3.69 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 2.00 2.07 0.00 10 K 7.23 4.12 0.00 1.72 1.68 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.35 7.81 11 C 7.89 4.15 0.00 3.06 3.04 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 0.00 0.00 0.00 0.00 12 G 8.00 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 13 R 7.58 4.28 0.00 1.89 1.76 0.00 3.18 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 14 Y 8.45 4.83 0.00 2.94 2.87 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 15 T 8.86 4.48 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 1.28 0.00 0.00 16 L 8.56 4.87 0.00 1.66 1.71 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.84 4.19 0.00 1.84 1.73 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.39 7.81 18 E 8.75 4.19 0.00 2.10 1.94 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 2.37 2.36 0.00 19 T 7.17 4.92 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 1.21 0.00 0.00 20 C 9.42 3.87 0.00 3.02 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 21 P 0.00 4.19 0.00 2.08 2.11 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 22 V 7.04 3.68 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 0.81 0.00 0.00 0.93 0.00 0.00 23 C 8.12 4.39 0.00 3.13 3.12 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 0.00 0.00 0.00 24 G 7.89 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.33 4.38 0.00 2.23 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 26 K 8.58 4.53 0.00 1.67 1.78 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.43 7.81 27 T 8.27 4.24 4.31 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 1.22 0.00 0.00 28 K 8.79 4.74 0.00 1.63 1.67 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.31 7.81 29 V 8.39 3.87 1.99 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 0.65 0.00 0.00 0.92 0.00 0.00 30 A 8.77 4.35 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.09 4.59 0.00 3.28 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.56 0.00 2.24 2.11 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 33 P 0.00 4.45 0.00 2.25 2.12 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 34 R 8.52 4.04 0.00 1.85 1.95 0.00 3.34 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 35 F 8.72 4.85 0.00 2.92 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 36 S 7.66 4.50 0.00 3.71 3.59 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 37 P 0.00 4.14 0.00 2.00 2.15 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 38 E 8.03 3.88 0.00 1.85 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 2.27 2.31 0.00 39 D 7.68 4.14 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.16 0.00 2.17 2.13 0.00 3.71 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 41 Y 7.95 4.24 0.00 3.02 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 42 G 7.84 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.10 3.95 0.00 2.06 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 0.00 2.43 2.43 0.00 44 Y 7.69 3.86 0.00 1.58 2.20 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 45 R 7.99 4.02 0.00 2.18 2.17 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 46 R 8.18 3.93 0.00 1.90 1.97 0.00 3.21 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 47 R 7.96 3.84 0.00 1.99 1.98 0.00 2.85 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 48 L 7.94 3.99 0.00 1.99 1.74 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.29 4.02 0.00 1.93 1.88 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.70 7.81 50 R 8.71 3.92 0.00 1.89 2.15 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 51 E 8.03 3.93 0.00 2.21 1.99 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 2.31 2.53 0.00 52 L 7.75 4.03 0.00 1.80 1.74 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.20 4.37 0.00 1.64 1.71 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.70 3.75 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 0.00 0.00 0.00 55 I 8.27 4.28 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 1.23 0.66 0.91 0.00 0.00 56 G 8.77 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00