NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4282 8.2027 119.6408 55.9004 31.9348 174.3947 3 S 4.5449 7.8088 112.2908 55.4253 65.2817 172.1410 4 I 4.7700 8.4920 119.0147 59.2341 41.9627 173.6705 5 N 5.3326 8.6364 121.5853 52.6229 40.2075 175.9245 6 F 4.4805 9.1342 117.2991 59.1027 38.1003 177.8696 7 R 3.4864 7.3044 119.2954 59.2440 30.0529 178.5832 8 T 3.8196 7.7334 108.8803 64.6663 68.5017 176.2527 9 A 3.9874 7.7125 122.7642 54.7404 18.4546 179.2475 10 R 4.0530 7.5691 116.1412 59.7806 30.3274 178.9411 11 G 3.7301 8.0515 103.9376 46.4923 0.0000 173.1580 12 N 5.1243 7.9137 117.5921 52.4089 39.3754 175.9204 13 L 4.0127 7.9336 121.5265 58.1317 42.9677 177.7104 14 S 4.2470 8.0095 111.9545 61.2102 62.9939 175.0337 15 E 4.1070 8.2699 119.6931 59.4684 29.5790 180.5028 16 V 3.9494 7.4445 118.6282 62.8695 31.2901 177.4540 *18 N 4.7020 8.2923 117.2800 52.9854 40.7648 176.8356 19 N 4.3304 8.1066 115.2145 56.2040 38.4532 177.5247 20 V 4.0245 7.8036 120.8957 65.6753 31.4647 177.7861 21 E 3.9601 8.1334 116.7386 59.0322 29.5745 178.0192 22 A 4.1934 7.8756 120.5552 54.5880 18.4855 176.8146 23 G 3.2720 6.7934 105.3897 45.0368 0.0000 173.1956 24 E 4.3971 8.3795 122.9965 55.3697 31.6268 175.2274 25 E 4.8904 8.6770 123.8034 54.6233 31.3271 174.8728 26 V 4.0858 8.2400 125.2105 61.6835 32.6227 175.0467 27 E 4.6380 8.6360 129.2105 56.1729 31.5731 175.6442 28 I 4.8521 8.9091 125.2277 59.6494 40.0143 174.3732 29 T 4.4638 9.1613 118.9878 60.9293 70.6092 174.3005 30 R 4.6626 8.3664 124.5986 53.9790 30.9600 175.4370 31 R 3.8909 8.8446 124.3077 59.2045 30.4344 178.4537 32 G 3.8271 8.1603 105.4185 48.0605 0.0000 172.6575 33 R 4.4570 7.8582 114.6062 54.7238 31.8087 174.3379 34 E 4.1795 8.6459 115.4294 56.1586 30.4172 173.7349 35 P 4.9407 0.0000 0.0000 61.6004 34.1996 173.1937 36 A 4.9182 8.4293 120.7013 50.0451 22.7550 175.1229 37 V 4.8724 8.1567 117.2239 61.5399 34.6680 174.4413 38 I 4.6300 8.9548 128.1777 59.9098 39.4857 174.5641 39 A 5.0432 8.2357 126.3248 50.4206 22.6740 175.9008 40 S 4.2301 8.5902 113.4950 57.9918 64.0982 175.5250 41 K 3.8906 8.7544 123.2397 59.5258 31.8423 178.6990 42 A 3.9688 8.1109 120.9530 55.6403 18.1431 179.6555 43 T 3.5078 7.6117 107.5481 64.7447 68.8886 176.3860 44 F 3.9263 8.3112 124.1395 61.1447 39.2581 177.0367 45 E 4.0032 8.9590 118.1016 59.1802 29.2201 179.1885 46 A 3.9418 7.6678 120.9429 55.3163 18.5776 179.3468 47 Y 4.2061 7.8207 115.2631 61.1569 37.9511 178.4551 48 K 3.6851 8.0132 120.8451 59.3250 32.0997 178.5163 49 K 3.7713 8.2481 119.6578 59.6007 32.0796 178.5487 50 A 3.7527 7.9522 120.6826 55.0570 18.1452 179.4630 51 A 3.8006 7.7975 118.9154 55.1070 18.4231 179.6344 52 L 3.4281 7.5866 118.8099 58.0668 42.1305 178.6738 53 D 4.2034 8.4449 119.3171 57.5014 40.7074 178.7847 54 A 3.9469 8.0514 121.1802 55.0866 18.3904 179.1933 55 E 3.7876 8.0447 117.8583 59.3775 29.6479 179.1094 56 F 4.0438 7.8317 117.4517 60.4584 38.8635 177.2273 57 A 4.0796 7.9485 120.5883 55.5238 18.1513 179.9235 58 S 4.0857 7.8354 112.6735 61.1745 63.1422 176.2894 59 L 3.9031 7.6731 123.4642 58.0620 41.6267 178.8539 60 F 4.5590 8.2424 116.3682 60.9078 38.9815 176.8305 61 D 4.6447 8.2564 117.2480 57.9620 40.7649 178.9975 62 T 4.0778 7.7367 114.1911 66.3015 69.1356 177.0631 63 L 4.6771 7.9524 120.0831 55.0838 43.1235 178.8376 64 D 4.3748 8.1050 120.3804 57.2985 41.4653 176.7324 65 S 4.0127 7.9626 113.2318 61.9057 62.6974 176.2575 66 T 3.9565 7.8565 117.6837 66.2466 67.6292 176.5231 67 N 4.2460 8.0236 118.4009 56.3119 38.4049 177.3863 68 K 3.8978 7.6744 118.4049 59.4664 32.4163 178.7499 69 E 4.0525 8.1048 119.2613 59.3407 29.7768 178.8854 70 L 4.0257 7.8497 118.7417 57.6130 41.3357 179.6208 71 V 3.6453 7.2449 116.8855 65.5127 31.3793 175.9995 72 N 4.8714 7.7394 114.2162 53.1171 38.6215 175.3104 73 R 4.1963 7.7395 123.3029 56.5276 31.2106 175.0920 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 4.43 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 3 S 7.81 4.54 0.00 3.93 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 4 I 8.49 4.77 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 1.24 0.88 0.92 0.00 0.00 5 N 8.64 5.33 0.00 2.95 2.72 0.00 0.00 6.87 7.59 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 6 F 9.13 4.48 0.00 3.38 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 7 R 7.30 3.49 0.00 1.61 1.77 0.00 2.95 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.00 8 T 7.73 3.82 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 1.18 0.00 0.00 9 A 7.71 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.57 4.05 0.00 1.99 1.94 0.00 3.15 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 G 8.05 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.91 5.12 0.00 2.81 2.73 0.00 0.00 6.51 7.78 0.00 0.00 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 L 7.93 4.01 0.00 1.70 1.69 0.93 0.99 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 14 S 8.01 4.25 0.00 3.86 3.87 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 E 8.27 4.11 0.00 2.21 1.97 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 2.39 2.29 0.00 16 V 7.44 3.95 2.23 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 0.96 0.00 0.00 0.97 0.00 0.00 *18 N 8.29 4.70 0.00 3.04 2.89 0.00 0.00 7.01 6.92 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 19 N 8.11 4.33 0.00 2.94 2.87 0.00 0.00 6.57 8.16 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 20 V 7.80 4.02 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 1.33 0.00 0.00 1.00 0.00 0.00 21 E 8.13 3.96 0.00 1.99 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 2.29 2.37 0.00 22 A 7.88 4.19 1.39 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 0.00 0.00 0.00 23 G 6.79 3.27 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 24 E 8.38 4.40 0.00 2.19 1.83 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 2.29 2.30 0.00 25 E 8.68 4.89 0.00 1.90 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 2.28 2.32 0.00 26 V 8.24 4.09 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 0.90 0.00 0.00 0.95 0.00 0.00 27 E 8.64 4.64 0.00 2.12 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 2.32 2.44 0.00 28 I 8.91 4.85 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.99 0.99 0.00 0.00 29 T 9.16 4.46 4.28 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 1.27 0.00 0.00 30 R 8.37 4.66 0.00 1.68 1.74 0.00 3.02 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.31 0.00 31 R 8.84 3.89 0.00 1.87 2.04 0.00 3.31 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 32 G 8.16 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 33 R 7.86 4.46 0.00 1.82 1.88 0.00 3.18 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 34 E 8.65 4.18 0.00 2.09 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 2.26 2.28 0.00 35 P 0.00 4.94 0.00 2.10 2.11 0.00 3.70 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 1.92 1.96 0.00 36 A 8.43 4.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.87 2.16 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 0.98 0.00 0.00 0.97 0.00 0.00 38 I 8.95 4.63 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 1.16 1.34 0.90 0.00 0.00 39 A 8.24 5.04 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 40 S 8.59 4.23 0.00 4.00 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 41 K 8.75 3.89 0.00 1.81 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.50 7.81 42 A 8.11 3.97 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 43 T 7.61 3.51 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 44 F 8.31 3.93 0.00 3.24 3.21 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 45 E 8.96 4.00 0.00 2.04 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 2.59 2.53 0.00 46 A 7.67 3.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.82 4.21 0.00 2.88 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 48 K 8.01 3.69 0.00 1.50 1.84 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.34 7.81 49 K 8.25 3.77 0.00 1.92 1.98 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.45 7.81 50 A 7.95 3.75 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 51 A 7.80 3.80 1.24 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 0.00 0.00 0.00 52 L 7.59 3.43 0.00 1.55 1.61 0.55 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.44 4.20 0.00 2.78 2.69 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 54 A 8.05 3.95 1.31 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 0.00 0.00 0.00 55 E 8.04 3.79 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 56 F 7.83 4.04 0.00 2.99 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 0.00 0.00 0.00 57 A 7.95 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.84 4.09 0.00 4.01 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 59 L 7.67 3.90 0.00 1.84 1.70 0.94 0.98 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 60 F 8.24 4.56 0.00 3.17 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 61 D 8.26 4.64 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 62 T 7.74 4.08 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 1.23 0.00 0.00 63 L 7.95 4.68 0.00 1.79 1.70 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.11 4.37 0.00 3.09 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 65 S 7.96 4.01 0.00 3.93 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 66 T 7.86 3.96 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 1.21 0.00 0.00 67 N 8.02 4.25 0.00 2.88 2.71 0.00 0.00 6.86 6.77 0.00 0.00 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 K 7.67 3.90 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.53 7.81 69 E 8.10 4.05 0.00 2.17 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 2.29 2.34 0.00 70 L 7.85 4.03 0.00 1.87 1.68 0.90 0.80 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 71 V 7.24 3.65 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 0.79 0.00 0.00 0.94 0.00 0.00 72 N 7.74 4.87 0.00 2.76 2.79 0.00 0.00 6.81 7.68 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 73 R 7.74 4.20 0.00 1.75 1.74 0.00 3.18 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.