NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4935 0.0000 0.0000 62.7278 33.3663 178.6359 6 E 3.8623 7.9803 117.4335 58.7010 29.1991 176.0777 7 E 4.0716 8.2988 117.9075 60.0474 30.3427 177.9313 8 H 4.2880 8.2646 118.0444 58.7419 30.1062 176.2729 9 E 3.9217 8.2717 120.8386 59.7926 29.6106 179.0026 10 D 4.3978 7.6462 118.8979 57.5911 40.6575 178.9961 11 I 3.7731 7.8189 120.2461 64.2841 36.8763 178.5018 12 L 3.9799 7.6838 118.4264 57.5694 41.7081 178.7471 13 N 4.5320 8.1503 116.7582 55.9645 38.3516 177.5651 14 K 4.0234 7.7461 118.6779 59.1129 32.2273 178.4365 15 L 4.3397 7.3418 116.2410 55.0287 41.8445 177.6405 16 L 4.1379 7.4814 121.5979 57.4649 42.3377 176.8916 17 D 4.8119 7.6001 115.8692 51.7862 44.7509 173.1849 18 P 4.5094 0.0000 0.0000 62.1855 32.7118 175.7937 *22 Q 4.2623 8.3581 115.3473 55.8541 30.1070 177.3216 23 S 4.2081 7.9634 115.8708 61.7002 62.9671 175.6726 24 E 4.0937 8.1541 122.4339 58.9887 29.2724 178.9905 25 R 3.9275 7.7162 116.5574 59.4099 29.6069 179.1364 26 T 3.8987 7.8116 116.2268 66.4052 68.2923 176.1938 27 E 3.9748 7.8182 120.3439 58.9940 29.5156 178.7311 28 A 4.0373 8.2279 121.2860 54.9980 18.5127 179.6404 29 L 3.9849 8.1071 117.5977 57.8066 41.6284 179.4632 30 Q 3.9867 8.0691 119.4145 59.2427 29.0400 178.3183 31 Q 4.0583 7.8165 119.0168 58.7629 28.6650 178.6799 32 L 4.1347 7.7412 120.1115 57.5338 41.6747 179.3636 33 R 3.8971 8.1023 118.8477 59.4890 30.0095 178.8464 34 V 3.6831 8.0582 118.1590 65.7641 31.5319 177.5007 35 N 4.4662 8.1033 117.7574 56.4195 38.8992 176.0100 36 Y 4.2408 8.4190 121.0965 60.7199 38.8065 178.2924 37 G 3.8337 8.4134 106.7640 48.0685 0.0000 175.5897 38 S 4.3601 8.5768 116.6195 59.6971 63.0686 176.3796 39 F 3.9168 8.1898 122.4762 60.7591 38.8124 178.1342 40 V 3.6912 7.8424 112.2674 64.2715 31.2784 178.8603 41 S 4.2113 8.1376 114.2314 61.4046 62.7416 176.4622 42 E 3.9655 7.6967 120.5165 59.2439 29.4012 178.3260 43 Y 4.1344 8.2093 119.7653 60.4193 38.6995 177.3206 44 N 4.6438 8.5806 119.8429 56.4525 38.9870 176.5805 45 D 4.2105 8.0741 120.0514 57.0757 40.8093 178.2413 *256 L 4.1890 7.7536 120.0055 54.9731 43.8913 178.3373 257 E 3.8448 8.0546 118.3861 59.0269 29.3276 178.8179 258 E 4.1241 7.9529 117.1197 58.3696 29.9174 179.0856 259 K 3.9617 7.6233 120.2054 59.2684 32.0180 179.2819 260 V 3.5200 7.7176 118.2898 66.0569 31.4788 177.9955 261 A 3.9682 7.8800 120.1416 55.2765 18.0932 179.1867 262 H 4.1016 8.2535 116.5089 59.3127 30.0069 177.3646 263 A 3.9652 8.2680 122.8634 55.1032 18.1850 179.7024 264 K 3.9023 8.2633 117.1540 59.4548 32.0335 179.1631 265 E 3.8360 8.0268 119.4174 59.3579 29.4373 178.3912 266 E 3.8656 8.0747 117.6369 59.5574 29.6418 178.7637 267 N 4.3957 7.9400 115.3068 56.5982 39.2968 176.2319 268 L 4.1983 7.8527 121.6044 58.1950 41.9418 179.8097 269 N 4.7908 7.8879 112.6330 54.1007 38.5454 175.8310 *271 H 4.8273 8.1428 119.3512 56.2771 30.7442 176.5592 272 Q 4.1261 8.1203 114.6918 56.8442 28.2603 178.3226 *274 L 4.2508 8.0398 120.1426 55.0651 43.8622 178.9307 275 D 4.3567 8.5019 118.6833 57.5422 40.6960 178.7681 276 Q 3.9735 8.3633 120.1854 59.4185 29.0508 178.3104 277 T 4.0175 7.8463 116.3782 66.4182 68.5240 176.0759 278 L 3.9148 8.0549 122.2556 58.1591 41.8909 178.8488 279 L 3.9779 7.5767 117.4109 58.0644 41.9047 179.1848 280 E 4.1156 8.3001 118.2089 59.4387 29.1863 179.3598 281 L 4.0082 8.2581 118.1399 57.9837 41.7982 179.1250 282 N 4.5060 8.2613 114.6987 55.1456 38.5368 175.5051 283 N 4.6647 7.8485 122.5516 53.2830 39.0116 174.5556 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 5 P 0.00 4.49 0.00 2.23 2.18 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 6 E 7.98 3.86 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 7 E 8.30 4.07 0.00 2.00 2.05 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 2.34 2.41 0.00 8 H 8.26 4.29 0.00 3.25 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.27 3.92 0.00 2.13 1.98 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 2.33 2.58 0.00 10 D 7.65 4.40 0.00 2.97 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 11 I 7.82 3.77 1.97 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 1.52 0.71 0.89 0.00 0.00 12 L 7.68 3.98 0.00 1.78 1.71 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.15 4.53 0.00 2.94 2.85 0.00 0.00 6.88 6.49 0.00 0.00 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 K 7.75 4.02 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.66 7.81 15 L 7.34 4.34 0.00 1.58 1.69 0.90 0.91 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 16 L 7.48 4.14 0.00 1.64 1.78 0.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.60 4.81 0.00 2.63 2.48 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 18 P 0.00 4.51 0.00 2.17 2.04 0.00 3.79 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 1.96 1.94 0.00 *22 Q 8.36 4.26 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 23 S 7.96 4.21 0.00 4.07 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 4.09 0.00 2.03 2.03 0.00 0.00 0.00 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 2.36 0.00 25 R 7.72 3.93 0.00 1.97 2.18 0.00 2.76 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 26 T 7.81 3.90 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 1.21 0.00 0.00 27 E 7.82 3.97 0.00 2.16 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 2.31 2.33 0.00 28 A 8.23 4.04 1.34 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 0.00 0.00 0.00 29 L 8.11 3.98 0.00 1.70 1.71 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.07 3.99 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 31 Q 7.82 4.06 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 32 L 7.74 4.13 0.00 1.87 1.74 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.10 3.90 0.00 2.05 2.09 0.00 3.10 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 34 V 8.06 3.68 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 1.03 0.00 0.00 1.03 0.00 0.00 35 N 8.10 4.47 0.00 3.12 3.12 0.00 0.00 6.44 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 36 Y 8.42 4.24 0.00 3.18 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 37 G 8.41 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 38 S 8.58 4.36 0.00 3.98 4.13 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 0.00 0.00 0.00 0.00 39 F 8.19 3.92 0.00 3.21 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.84 3.69 2.06 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 0.53 0.00 0.00 0.99 0.00 0.00 41 S 8.14 4.21 0.00 4.09 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 42 E 7.70 3.97 0.00 2.13 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 2.28 2.38 0.00 43 Y 8.21 4.13 0.00 3.21 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 44 N 8.58 4.64 0.00 3.04 3.02 0.00 0.00 6.85 8.05 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 45 D 8.07 4.21 0.00 2.90 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *256 L 7.75 4.19 0.00 1.79 1.46 0.86 0.91 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 0.00 257 E 8.05 3.84 0.00 2.09 1.91 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 2.00 2.10 0.00 258 E 7.95 4.12 0.00 2.17 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 0.00 2.24 2.52 0.00 259 K 7.62 3.96 0.00 1.93 1.87 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.63 7.81 260 V 7.72 3.52 2.19 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 1.06 0.00 0.00 0.91 0.00 0.00 261 A 7.88 3.97 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 0.00 262 H 8.25 4.10 0.00 3.33 3.44 0.00 5.60 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 0.00 263 A 8.27 3.97 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 0.00 264 K 8.26 3.90 0.00 2.10 1.86 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 265 E 8.03 3.84 0.00 2.23 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 2.29 2.37 0.00 266 E 8.07 3.87 0.00 2.02 1.96 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 2.13 2.30 0.00 267 N 7.94 4.40 0.00 2.75 3.05 0.00 0.00 7.23 7.27 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 0.00 268 L 7.85 4.20 0.00 1.97 1.78 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 269 N 7.89 4.79 0.00 2.71 2.82 0.00 0.00 7.10 7.95 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 *271 H 8.14 4.83 0.00 3.38 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 272 Q 8.12 4.13 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.39 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 *274 L 8.04 4.25 0.00 1.87 1.75 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 275 D 8.50 4.36 0.00 2.80 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 0.00 276 Q 8.36 3.97 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 277 T 7.85 4.02 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 1.21 0.00 0.00 278 L 8.05 3.91 0.00 1.76 1.85 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 279 L 7.58 3.98 0.00 1.86 1.73 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 280 E 8.30 4.12 0.00 2.16 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 2.33 2.41 0.00 281 L 8.26 4.01 0.00 1.73 1.74 0.92 1.03 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 0.00 282 N 8.26 4.51 0.00 2.84 2.88 0.00 0.00 7.02 7.57 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 0.00 283 N 7.85 4.66 0.00 2.84 2.71 0.00 0.00 6.81 7.73 0.00 0.00 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.