NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2496 8.2033 121.7040 55.9034 31.4122 177.0414 3 L 3.9653 7.5353 117.2449 56.4076 41.8027 174.1680 4 V 3.6522 8.4678 118.4269 65.8367 32.3333 177.3177 5 L 4.1052 7.7873 118.2244 57.2483 41.6543 179.0349 6 A 3.7242 7.4023 119.3265 55.0872 18.4866 179.3354 7 A 4.1818 8.3210 118.3156 53.8348 18.3988 179.4554 8 K 4.0548 7.6426 117.8531 59.2890 32.1310 178.3398 9 Y 4.2196 7.9772 116.6641 60.6001 37.9350 177.9321 10 I 3.8765 7.8551 120.5234 64.3692 36.9524 178.5260 11 G 3.6354 8.2605 106.3354 47.7063 0.0000 175.5053 12 A 4.2274 7.7327 122.4989 54.6540 18.5867 179.5924 13 G 3.6965 7.8206 104.6388 48.6435 0.0000 176.2055 14 I 3.8503 8.1873 122.2264 63.9795 36.6760 178.5927 15 S 4.3147 7.7979 114.8570 61.4446 62.3674 176.3612 16 T 4.1491 7.7686 118.1038 65.8114 68.3290 176.7592 17 I 3.9829 7.5219 121.1693 63.9389 37.0272 178.3824 18 G 3.7189 7.8392 105.4347 47.4419 0.0000 175.6097 19 L 4.1575 7.8772 120.5260 57.0815 41.4329 178.8449 20 L 4.0809 7.9249 120.7974 58.1358 41.8383 179.3568 21 G 3.5476 8.0302 104.9057 47.8457 0.0000 175.7366 22 A 4.1661 8.0506 123.2331 54.3936 18.2787 179.9176 23 G 3.5338 8.5418 105.0028 48.1745 0.0000 176.1876 24 I 3.8509 7.7357 122.7029 63.6243 36.7563 178.5208 25 G 3.7991 8.3001 106.8738 48.0703 0.0000 175.5413 26 I 3.9653 7.8411 122.3873 63.9878 37.2319 178.0763 27 A 4.1094 7.5993 121.0493 55.5257 18.1741 179.5578 28 I 3.6706 7.8039 117.9864 64.6367 37.2388 178.8573 29 V 3.5758 7.5947 118.4012 66.2577 31.4872 178.2027 30 F 4.0814 8.6071 117.2273 60.0822 38.6528 177.6653 31 A 4.0012 8.7797 120.8735 55.2983 18.3201 179.6165 32 A 4.0724 8.0510 118.7810 54.5610 17.9788 179.6729 33 L 3.8812 7.7938 119.8379 58.2067 42.2133 179.0439 34 I 3.8216 7.7990 112.9872 63.8065 37.4633 177.9705 35 N 4.5738 7.5525 119.2644 55.5038 38.1456 177.3709 36 G 3.6878 8.2498 107.1900 47.1228 0.0000 175.2051 37 V 4.0237 7.4445 118.4193 63.8563 31.2347 177.1663 38 S 4.5093 7.7094 112.8506 59.9442 62.2615 175.2886 39 R 4.3685 7.2735 119.5092 54.5188 32.4540 176.5049 40 N 4.1924 7.4079 113.9136 52.4466 37.8862 172.4840 41 P 4.7308 0.0000 0.0000 63.3363 32.0812 176.5614 42 S 4.6647 7.5128 113.6060 57.7976 62.2683 174.5938 43 I 3.5195 7.4637 124.9154 64.2676 38.5603 174.6414 44 K 4.4467 7.8114 120.6557 56.0407 32.8081 175.0974 45 D 4.8316 8.8176 124.5709 55.9705 41.4323 171.7862 46 T 3.5973 8.1769 122.7057 65.1910 67.2456 174.4503 47 V 3.6573 7.6646 118.0824 66.3551 31.8184 178.3997 48 F 4.7557 7.7247 120.2580 60.7706 37.7709 175.4643 49 P 4.4328 0.0000 0.0000 65.7478 31.0875 178.1202 50 M 4.4046 7.8077 115.6312 57.4445 32.0194 178.6073 51 A 3.8748 7.6578 121.1688 55.4005 18.7527 179.8764 52 I 3.6323 7.9876 118.5923 64.2251 36.9640 178.5219 53 L 4.1011 7.5109 120.8966 57.9385 41.5967 179.3143 54 G 3.5983 7.9977 105.8516 47.5225 0.0000 175.5526 55 F 4.2817 8.6800 123.2703 60.9663 39.5584 177.0719 56 A 3.4588 8.0515 120.2875 55.1314 18.0523 179.6546 57 L 4.0013 7.5163 115.1530 56.9388 41.4849 178.6096 58 S 4.4958 7.5426 112.1102 58.8796 63.0331 174.5465 59 E 3.9349 7.9037 120.5233 56.8564 29.4142 177.3143 60 A 4.0037 7.7000 119.9934 55.2754 17.9678 179.8211 61 T 4.0358 7.4952 114.8396 66.8783 68.5775 177.1639 62 G 3.6400 7.9215 107.1050 47.6908 0.0000 175.5820 63 L 4.0725 7.9317 121.2961 57.4060 41.4890 178.9346 64 F 4.6902 7.7861 115.7389 59.1252 39.0224 176.3477 65 C 4.4690 7.6669 118.1741 61.3083 32.1179 175.0922 66 L 4.2702 8.4244 121.9614 57.7212 41.6368 178.5939 67 M 4.0979 7.8125 117.8188 58.7718 31.9501 178.3362 68 V 3.7248 7.8793 118.1984 65.6666 31.5244 178.0765 69 S 4.1488 7.6525 112.2976 61.5253 63.2747 176.3303 70 F 4.0720 8.5904 121.3841 59.5253 38.3810 177.5305 71 L 4.0989 8.0610 119.8548 57.5465 41.9241 177.8266 72 L 4.7634 7.3274 116.2645 53.6029 42.4842 177.3539 73 L 4.1826 7.3566 124.7466 54.3385 42.9080 176.2794 *74 F 4.4330 8.2938 121.3513 56.3985 38.6392 174.2064 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 Q 8.20 4.25 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 3 L 7.54 3.97 0.00 1.78 1.66 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.47 3.65 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 0.87 0.00 0.00 0.92 0.00 0.00 5 L 7.79 4.11 0.00 1.61 1.41 0.89 0.95 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 6 A 7.40 3.72 1.29 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 0.00 0.00 7 A 8.32 4.18 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 4.05 0.00 2.34 2.21 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.83 1.54 7.81 9 Y 7.98 4.22 0.00 3.11 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 10 I 7.86 3.88 1.90 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 1.60 0.76 0.93 0.00 0.00 11 G 8.26 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 0.00 0.00 0.00 12 A 7.73 4.23 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 13 G 7.82 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 14 I 8.19 3.85 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 1.67 1.11 0.92 0.00 0.00 15 S 7.80 4.31 0.00 4.07 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 16 T 7.77 4.15 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 17 I 7.52 3.98 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 1.46 1.02 0.92 0.00 0.00 18 G 7.84 3.72 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 0.00 0.00 0.00 19 L 7.88 4.16 0.00 1.90 1.76 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.92 4.08 0.00 1.87 1.78 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.03 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.05 4.17 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 23 G 8.54 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 3.85 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.55 0.94 0.00 0.00 25 G 8.30 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 0.00 0.00 0.00 26 I 7.84 3.97 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.37 1.21 0.00 0.00 27 A 7.60 4.11 1.48 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 28 I 7.80 3.67 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 1.44 0.87 0.95 0.00 0.00 29 V 7.59 3.58 2.29 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 1.03 0.00 0.00 1.05 0.00 0.00 30 F 8.61 4.08 0.00 3.37 3.11 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 31 A 8.78 4.00 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 32 A 8.05 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 3.88 0.00 1.82 1.76 0.70 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.80 3.82 1.88 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 1.81 0.52 0.94 0.00 0.00 35 N 7.55 4.57 0.00 2.86 2.92 0.00 0.00 6.93 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.25 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.44 4.02 2.02 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 0.97 0.00 0.00 0.95 0.00 0.00 38 S 7.71 4.51 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.27 4.37 0.00 1.96 1.90 0.00 3.30 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 40 N 7.41 4.19 0.00 2.89 2.86 0.00 0.00 6.93 7.90 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 41 P 0.00 4.73 0.00 2.16 2.11 0.00 3.73 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 1.91 1.92 0.00 42 S 7.51 4.66 0.00 4.21 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 43 I 7.46 3.52 1.81 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.11 0.88 0.00 0.00 44 K 7.81 4.45 0.00 1.75 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.51 7.81 45 D 8.82 4.83 0.00 2.88 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 46 T 8.18 3.60 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 47 V 7.66 3.66 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.91 0.00 0.00 48 F 7.72 4.76 0.00 3.08 2.95 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 0.00 0.00 0.00 49 P 0.00 4.43 0.00 2.21 2.11 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 50 M 7.81 4.40 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.55 0.00 51 A 7.66 3.87 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 52 I 7.99 3.63 1.65 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.06 0.84 0.00 0.00 53 L 7.51 4.10 0.00 1.91 1.84 0.95 1.00 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 54 G 8.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 4.28 0.00 3.31 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.05 3.46 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.52 4.00 0.00 1.58 1.73 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.54 4.50 0.00 4.01 3.84 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 0.00 0.00 0.00 59 E 7.90 3.93 0.00 1.44 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 60 A 7.70 4.00 1.32 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 0.00 0.00 0.00 61 T 7.50 4.04 4.39 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 1.24 0.00 0.00 62 G 7.92 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 0.00 0.00 0.00 63 L 7.93 4.07 0.00 1.52 1.51 0.77 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.79 4.69 0.00 3.18 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 65 C 7.67 4.47 0.00 3.38 2.95 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 0.00 0.00 0.00 66 L 8.42 4.27 0.00 2.00 1.71 1.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 67 M 7.81 4.10 0.00 2.31 2.38 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 2.63 2.64 0.00 68 V 7.88 3.72 2.13 0.00 0.00 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 1.03 0.00 0.00 69 S 7.65 4.15 0.00 4.20 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 70 F 8.59 4.07 0.00 3.32 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 71 L 8.06 4.10 0.00 1.99 1.74 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.33 4.76 0.00 1.65 1.69 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.36 4.18 0.00 1.47 1.22 0.58 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 *74 F 8.29 4.43 0.00 2.09 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.