NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 4.1559 8.0093 121.4358 60.9256 39.2772 175.2022 10 T 4.3940 7.3469 109.8626 60.0301 75.8092 171.6620 11 G 4.1843 9.1642 110.1475 42.9602 0.0000 174.4473 12 K 4.3630 8.1751 120.7488 56.9321 34.8519 176.8221 13 Y 4.3918 7.2781 115.5917 57.4171 39.1111 174.4277 14 G 3.5637 8.9416 113.5002 46.2674 0.0000 174.3997 15 V 4.3542 8.4556 111.2653 59.0463 35.2695 174.9967 16 R 4.3145 7.9760 123.5261 55.0930 31.1793 173.2940 17 Y 4.0140 8.2386 115.0686 56.5059 39.7607 176.0051 18 G 4.4152 8.5281 114.3255 46.2055 0.0000 172.2997 19 S 3.7397 8.5893 110.1876 59.3585 60.3260 172.5547 20 S 4.5469 7.6435 119.8877 58.3008 69.3931 176.3334 21 L 4.8727 7.7907 119.8640 51.8312 44.3937 176.5656 22 R 4.6320 7.6347 117.4678 57.6699 31.7336 177.0381 23 R 4.7045 8.2608 109.7776 54.6428 28.7014 175.0886 24 Q 4.3673 8.6095 116.7132 55.8703 31.5275 176.6391 25 V 4.4950 7.4554 116.5573 61.7373 33.8755 175.2621 26 K 4.0794 9.0183 121.6344 56.9654 29.2382 176.5559 27 K 4.4315 7.6685 114.7059 56.7201 37.1332 176.3652 28 L 4.0179 7.8243 120.1933 56.7146 40.4508 177.6399 29 E 5.4262 7.5472 121.5652 55.6424 31.7746 176.9117 30 I 3.7183 7.7444 122.1143 63.9435 38.0695 176.0626 31 Q 4.3491 8.3705 121.0910 56.8161 29.4165 175.8120 32 Q 4.1873 9.1887 114.7823 56.7210 25.9130 173.7228 33 H 4.7897 7.7684 113.7661 56.7449 36.4325 174.5846 34 A 4.1534 7.5034 121.6099 51.5104 18.7849 177.0441 35 R 4.1008 7.8549 116.9113 56.3008 30.3477 175.5568 36 Y 4.7472 8.1263 118.6239 55.7215 41.9418 174.8568 37 D 4.6356 8.9211 122.3364 53.6335 40.4338 175.8225 38 C 4.5023 8.6839 121.7550 58.6331 32.7662 174.1237 39 S 3.9659 8.8050 118.0317 61.0498 62.0350 174.9982 40 F 4.4958 8.4320 127.9661 57.3059 38.0764 174.9340 41 C 5.6566 8.8617 133.7856 58.4491 27.4427 176.1980 42 G 3.9110 7.7038 105.4274 45.5266 0.0000 174.7358 43 K 3.9857 7.4177 118.5877 58.3686 32.3181 177.3809 44 K 4.4942 7.6812 128.1979 57.1018 30.4794 175.0816 45 T 4.3698 7.5024 111.1720 61.3480 69.1934 174.5848 46 V 4.7476 8.2403 124.2108 60.8197 33.9448 173.0070 47 K 4.6324 8.4589 122.4373 55.3366 35.7858 174.4309 48 R 5.0156 8.7580 125.0134 55.8319 30.1899 176.8901 49 G 3.9194 9.1104 114.1361 44.2073 0.0000 172.3841 50 A 3.9332 8.3171 121.6825 53.1195 18.7100 178.1350 51 A 3.8932 8.7000 124.7902 51.0860 17.8241 179.5759 52 G 4.2746 8.2781 106.3223 45.7930 0.0000 172.1812 53 I 3.7948 7.0005 122.9340 59.6275 41.6856 172.8369 54 W 5.1932 7.3912 123.2197 56.2943 31.6357 173.2361 55 T 4.4524 8.8639 109.9854 62.0182 72.1373 177.8576 56 C 4.5066 10.2522 118.7420 57.3689 30.1591 174.6073 57 S 4.1767 10.6633 110.4935 57.9987 61.3479 167.5461 58 C 4.5793 7.8531 112.9423 61.2764 31.9622 172.4315 59 C 4.1965 9.0034 121.9361 59.4429 28.9675 172.1428 60 K 3.9924 7.9574 117.5198 57.6742 32.9215 177.1861 61 K 4.9582 8.5204 124.1918 55.1091 36.1000 175.0195 62 T 5.2090 8.1769 108.3907 59.6315 71.9347 173.5677 63 V 4.3887 8.0116 122.5648 60.8396 34.9021 174.4658 64 A 3.9509 8.5835 129.5741 52.3396 19.0862 177.4372 65 G 4.1403 7.5169 107.7215 45.0342 0.0000 172.4915 66 G 4.2190 8.9686 110.2116 43.0480 0.0000 172.9901 67 A 3.6411 8.9730 130.4316 52.7859 17.9980 174.8328 68 Y 3.8387 8.5703 110.5879 58.2068 38.4730 172.3462 69 T 3.0292 7.7509 121.3500 60.6475 70.8577 172.1565 70 V 2.8247 7.5137 125.8110 64.1342 31.5560 176.7318 71 S 4.7226 7.3186 113.5467 57.0986 64.5256 172.3531 72 T 4.5438 7.7687 115.9854 61.6280 72.4810 173.3732 73 A 4.2294 8.3774 125.0182 52.5925 19.0181 176.4190 74 A 4.0542 8.8675 117.9332 52.1181 16.9560 178.6152 75 A 4.5254 8.1848 118.9952 54.5498 21.3361 178.9003 76 A 4.3947 5.8000 127.5888 50.9522 19.1425 178.4412 77 T 4.1870 7.1961 120.5893 62.5686 73.9199 177.7253 78 V 3.8544 8.7239 112.7616 60.6730 29.6596 175.2294 79 R 4.4679 7.4474 122.4368 55.6883 33.9785 174.9436 80 S 4.2689 8.6026 113.8306 59.1701 63.6824 174.0034 81 T 4.0029 8.3622 115.3172 62.5638 67.0688 173.9542 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 9 I 8.01 4.16 1.82 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 1.40 1.01 0.88 0.00 0.00 10 T 7.35 4.39 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 11 G 9.16 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 0.00 0.00 0.00 12 K 8.18 4.36 0.00 1.38 1.59 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.29 7.81 13 Y 7.28 4.39 0.00 3.01 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 14 G 8.94 3.56 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 0.00 15 V 8.46 4.35 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 0.77 0.00 0.00 0.88 0.00 0.00 16 R 7.98 4.31 0.00 1.66 1.72 0.00 3.25 0.00 0.00 3.12 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.53 0.00 17 Y 8.24 4.01 0.00 3.28 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 18 G 8.53 4.42 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 0.00 19 S 8.59 3.74 0.00 4.03 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 20 S 7.64 4.55 0.00 3.87 3.80 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 21 L 7.79 4.87 0.00 1.77 1.64 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.63 4.63 0.00 2.02 1.86 0.00 3.29 0.00 0.00 3.31 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.38 0.00 23 R 8.26 4.70 0.00 1.80 1.91 0.00 3.14 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 24 Q 8.61 4.37 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 25 V 7.46 4.49 2.11 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 1.06 0.00 0.00 0.96 0.00 0.00 26 K 9.02 4.08 0.00 2.11 2.02 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.52 1.58 7.81 27 K 7.67 4.43 0.00 1.56 1.73 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.30 7.81 28 L 7.82 4.02 0.00 1.67 1.96 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.55 5.43 0.00 2.15 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 2.10 2.05 0.00 30 I 7.74 3.72 1.86 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 1.26 1.60 0.93 0.00 0.00 31 Q 8.37 4.35 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 5.87 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 32 Q 9.19 4.19 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 33 H 7.77 4.79 0.00 3.31 3.29 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.50 4.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.85 4.10 0.00 1.87 1.80 0.00 2.86 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 0.00 36 Y 8.13 4.75 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.92 4.64 0.00 2.71 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 38 C 8.68 4.50 0.00 3.07 2.91 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 39 S 8.81 3.97 0.00 3.95 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 40 F 8.43 4.50 0.00 3.11 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 41 C 8.86 5.66 0.00 3.25 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 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 43 K 7.42 3.99 0.00 1.76 1.84 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.41 7.81 44 K 7.68 4.49 0.00 1.77 1.95 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.10 1.03 7.81 45 T 7.50 4.37 4.32 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 0.00 0.00 0.00 1.22 0.00 0.00 46 V 8.24 4.75 2.34 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 0.78 0.00 0.00 1.12 0.00 0.00 47 K 8.46 4.63 0.00 1.91 1.71 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.55 7.81 48 R 8.76 5.02 0.00 2.24 1.69 0.00 3.14 0.00 0.00 3.04 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 49 G 9.11 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 0.00 0.00 0.00 50 A 8.32 3.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.70 3.89 1.37 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 0.00 0.00 0.00 52 G 8.28 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 0.00 0.00 0.00 0.00 53 I 7.00 3.79 1.60 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.43 0.92 0.00 0.00 54 W 7.39 5.19 0.00 3.56 3.38 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 55 T 8.86 4.45 4.35 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 1.27 0.00 0.00 56 C 10.25 4.51 0.00 3.36 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 10.66 4.18 0.00 4.08 4.12 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 58 C 7.85 4.58 0.00 2.99 2.76 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 59 C 9.00 4.20 0.00 3.13 2.99 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 60 K 7.96 3.99 0.00 1.81 1.90 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 61 K 8.52 4.96 0.00 1.75 1.87 0.00 1.78 0.00 0.00 1.95 0.00 0.00 3.16 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.41 7.81 62 T 8.18 5.21 4.15 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 1.18 0.00 0.00 63 V 8.01 4.39 2.17 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 0.94 0.00 0.00 0.97 0.00 0.00 64 A 8.58 3.95 1.09 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 65 G 7.52 4.14 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 0.00 0.00 0.00 66 G 8.97 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.97 3.64 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 68 Y 8.57 3.84 0.00 3.19 3.09 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 69 T 7.75 3.03 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 70 V 7.51 2.82 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 1.32 0.00 0.00 71 S 7.32 4.72 0.00 3.95 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 72 T 7.77 4.54 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 1.22 0.00 0.00 73 A 8.38 4.23 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 74 A 8.87 4.05 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 75 A 8.18 4.53 1.17 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 0.00 0.00 76 A 5.80 4.39 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.20 4.19 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 1.25 0.00 0.00 78 V 8.72 3.85 2.08 0.00 0.00 0.00 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 0.93 0.00 0.00 79 R 7.45 4.47 0.00 1.86 1.83 0.00 3.27 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 80 S 8.60 4.27 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.36 4.00 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