NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.7550 8.3549 109.7452 46.8037 0.0000 170.2458 0 H 4.0184 8.9237 129.3931 53.6987 26.4024 172.7490 1 M 4.9539 10.1622 124.6699 53.0508 35.5303 174.7309 2 L 4.7040 8.4492 120.2326 54.5783 42.7211 176.5928 3 I 4.6912 8.3836 116.7785 58.0223 40.1327 173.7297 4 P 4.3438 0.0000 0.0000 62.6133 32.0273 176.8316 5 H 4.1253 8.9643 117.3039 58.7625 28.3394 176.6346 6 D 4.4617 7.5217 116.9686 54.4268 39.5385 176.4455 7 L 4.1791 7.6069 121.1748 56.0425 42.5237 176.5045 8 L 4.2806 7.4434 118.4174 53.8918 42.6549 176.8558 9 E 3.9382 8.6586 122.3245 56.4723 30.8882 177.7832 10 A 4.0084 8.6871 127.9389 55.5608 18.5126 179.4837 11 D 4.3442 8.2682 117.1155 57.5534 40.9791 178.8762 12 T 3.8889 8.1091 110.3563 64.7014 68.6523 176.2499 13 L 3.9342 8.1031 123.2303 57.9874 42.0084 178.7969 14 N 4.3458 8.2311 116.3865 56.3301 38.4000 177.1507 15 N 4.3468 8.1561 117.8445 56.3599 38.6911 177.3914 16 L 4.0329 8.1358 120.4147 57.8050 41.7144 179.6732 17 L 4.0714 8.2219 119.0301 57.7582 41.4700 179.1269 18 E 3.9616 8.4031 119.2938 59.3914 29.3705 178.3351 19 D 4.4068 8.1402 117.8740 57.4911 41.2544 178.5189 20 F 4.3509 8.3586 120.7148 61.4911 39.3414 177.2432 21 V 3.6928 7.8575 109.1839 62.6205 31.5208 177.3392 22 T 4.4685 7.2130 108.5710 61.0238 69.2035 175.2485 23 R 3.7617 7.4645 118.5279 58.5325 29.5230 176.1483 *31 E 4.0456 7.8382 118.7740 55.8961 30.5080 175.1919 32 T 3.9445 8.4247 122.2804 63.0525 69.2802 173.1029 33 P 4.4013 0.0000 0.0000 62.1129 33.3191 177.0091 34 L 3.8879 8.5516 122.1942 58.8215 41.8959 179.0860 35 D 4.3088 8.0940 117.0464 57.2545 41.0947 178.1738 36 V 3.5839 7.7341 118.2285 66.1611 31.6582 178.0582 37 R 3.9265 7.9576 117.7741 59.2144 29.8026 179.2574 38 V 3.6685 8.1636 118.3604 66.1270 31.5511 178.0059 39 E 3.9868 8.4050 118.3792 59.4082 29.2446 179.5191 40 R 3.9590 8.3374 118.1491 59.2588 30.0622 178.9973 41 A 4.1325 8.1580 120.5870 55.1237 18.3409 179.9236 42 R 3.8047 8.2943 116.9292 59.5309 30.0511 178.7195 43 H 4.1167 8.3389 117.8807 59.2447 29.8771 177.1067 44 A 3.9794 8.0220 122.5698 55.1661 18.1909 179.6652 45 L 4.0776 7.8641 118.8576 57.5158 41.4611 179.8885 46 R 3.9426 7.7621 116.8671 59.0981 30.0935 178.5147 47 R 4.2453 8.1900 115.4180 55.6543 30.2774 177.0768 48 G 3.9343 7.4977 106.4997 46.4537 0.0000 174.7052 49 E 4.2094 8.2676 119.7446 56.7232 30.1558 175.8435 50 A 5.2110 7.6515 120.2092 50.0900 22.5737 175.3145 51 V 4.5121 8.7302 112.7604 59.7767 37.1950 174.3405 52 I 4.8683 8.1744 121.3632 59.7330 39.8872 174.8260 53 L 5.1486 8.8481 127.5616 53.3392 43.6888 175.3549 54 F 5.2484 10.1678 126.1299 56.3990 42.6309 173.1339 55 D 4.4976 7.8695 126.1646 52.3990 41.6430 175.0419 56 P 4.1027 0.0000 0.0000 65.1451 31.6215 175.9007 57 E 4.5405 7.8805 114.6789 55.9116 31.1287 175.2540 58 S 4.3521 8.6050 115.8024 57.1416 62.3274 169.1915 59 Q 3.4946 6.8641 115.1912 55.2724 27.0516 173.3204 60 Q 4.5159 7.4314 116.0445 55.6102 30.2781 174.7771 61 C 5.5207 8.6341 119.0615 58.4787 31.4064 173.1072 62 Q 4.6220 9.0068 121.8410 54.6517 32.6193 173.2634 63 L 4.6208 8.5758 128.2396 55.1690 43.0332 175.6554 64 M 5.0702 8.8912 124.6483 53.2693 37.1249 174.7440 65 L 4.4092 8.7315 121.8533 54.6293 42.8847 178.0198 66 R 3.8844 8.7939 124.5858 59.6409 30.0720 178.6358 67 S 4.2109 8.0757 110.5717 60.7292 63.0596 174.5166 68 E 4.3334 8.0489 118.6188 56.2566 29.7730 175.9501 69 V 4.0559 7.2508 119.6990 60.6658 32.6043 173.9515 70 P 4.3187 0.0000 0.0000 62.5910 32.1243 177.0776 71 A 3.9876 8.7186 124.4036 55.3129 18.5768 179.4363 72 E 3.9359 8.2848 115.3718 59.1783 29.5953 177.4731 73 L 4.4086 7.8612 115.7987 55.0722 42.0330 176.9466 74 L 4.3997 7.6036 117.8451 54.7670 42.6642 176.8605 75 R 4.1550 7.9144 117.7690 57.2540 29.4719 175.8630 76 D 4.3145 8.6164 121.7530 54.6282 41.7200 176.3488 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 -1 G 8.35 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 0 H 8.92 4.02 0.00 3.41 3.48 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 10.16 4.95 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 2 L 8.45 4.70 0.00 1.71 1.65 0.93 1.08 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 3 I 8.38 4.69 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.65 0.84 0.00 0.00 4 P 0.00 4.34 0.00 2.28 2.17 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 5 H 8.96 4.13 0.00 3.30 3.58 0.00 5.45 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 6 D 7.52 4.46 0.00 2.73 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 7 L 7.61 4.18 0.00 1.55 1.83 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.44 4.28 0.00 1.85 1.56 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.66 3.94 0.00 1.97 1.82 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 0.00 2.37 2.32 0.00 10 A 8.69 4.01 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 11 D 8.27 4.34 0.00 2.99 2.73 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 12 T 8.11 3.89 4.26 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 1.33 0.00 0.00 13 L 8.10 3.93 0.00 1.79 1.89 0.92 0.58 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 14 N 8.23 4.35 0.00 2.92 2.86 0.00 0.00 7.03 7.08 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 15 N 8.16 4.35 0.00 2.94 2.89 0.00 0.00 7.05 6.79 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 16 L 8.14 4.03 0.00 1.87 1.75 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.22 4.07 0.00 1.89 1.77 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.40 3.96 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 2.33 2.38 0.00 19 D 8.14 4.41 0.00 2.92 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 20 F 8.36 4.35 0.00 3.22 3.32 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 21 V 7.86 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 1.04 0.00 0.00 1.04 0.00 0.00 22 T 7.21 4.47 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 1.20 0.00 0.00 23 R 7.46 3.76 0.00 1.91 2.22 0.00 2.96 0.00 0.00 2.87 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 *31 E 7.84 4.05 0.00 1.95 1.93 0.00 0.00 0.00 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 2.39 0.00 32 T 8.42 3.94 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 33 P 0.00 4.40 0.00 2.15 1.97 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 34 L 8.55 3.89 0.00 1.75 1.69 0.93 1.09 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 35 D 8.09 4.31 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 3.58 2.25 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 1.09 0.00 0.00 0.93 0.00 0.00 37 R 7.96 3.93 0.00 2.10 1.98 0.00 3.16 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 38 V 8.16 3.67 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 1.13 0.00 0.00 1.04 0.00 0.00 39 E 8.40 3.99 0.00 2.18 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 2.48 2.50 0.00 40 R 8.34 3.96 0.00 2.09 2.03 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 41 A 8.16 4.13 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.29 3.80 0.00 2.06 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 43 H 8.34 4.12 0.00 3.35 3.49 0.00 5.79 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 44 A 8.02 3.98 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 45 L 7.86 4.08 0.00 1.67 1.35 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.76 3.94 0.00 1.86 1.96 0.00 3.17 0.00 0.00 3.24 7.58 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 8.19 4.25 0.00 1.80 1.91 0.00 3.20 0.00 0.00 3.12 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 48 G 7.50 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 4.21 0.00 2.03 2.00 0.00 0.00 0.00 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 2.40 0.00 50 A 7.65 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.73 4.51 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 0.74 0.00 0.00 0.91 0.00 0.00 52 I 8.17 4.87 2.09 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 1.31 0.78 1.00 0.00 0.00 53 L 8.85 5.15 0.00 1.64 1.69 0.87 0.79 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 54 F 10.17 5.25 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.87 4.50 0.00 2.15 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 56 P 0.00 4.10 0.00 2.13 2.09 0.00 3.39 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 57 E 7.88 4.54 0.00 2.01 1.88 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 2.23 2.19 0.00 58 S 8.61 4.35 0.00 4.09 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 59 Q 6.86 3.49 0.00 2.08 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 60 Q 7.43 4.52 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 61 C 8.63 5.52 0.00 2.94 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 62 Q 9.01 4.62 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 63 L 8.58 4.62 0.00 1.64 1.19 0.86 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.89 5.07 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 65 L 8.73 4.41 0.00 1.80 1.66 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.79 3.88 0.00 1.84 1.96 0.00 3.09 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 67 S 8.08 4.21 0.00 4.03 4.01 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 0.00 0.00 0.00 68 E 8.05 4.33 0.00 2.12 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 2.32 2.27 0.00 69 V 7.25 4.06 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 0.77 0.00 0.00 1.01 0.00 0.00 70 P 0.00 4.32 0.00 2.21 1.97 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 71 A 8.72 3.99 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 72 E 8.28 3.94 0.00 1.92 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 2.30 2.42 0.00 73 L 7.86 4.41 0.00 1.79 1.70 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.60 4.40 0.00 1.64 1.70 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.91 4.15 0.00 1.97 1.91 0.00 3.51 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 76 D 8.62 4.31 0.00 2.74 2.64 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 * Residues marked with a * may have inaccurate shift predictions.