NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4759 8.3044 118.1904 55.6177 32.1556 174.4658 2 Q 4.2881 8.0181 114.8814 54.5897 32.5913 174.6641 3 L 4.1289 8.1437 117.8070 57.6394 42.6113 178.4505 4 V 3.7617 7.6222 117.6777 65.7820 31.2513 177.9977 5 L 3.9257 7.6995 117.5752 57.3376 41.9371 178.7798 6 A 3.8765 7.4961 119.3988 55.1771 18.4726 179.6597 7 A 4.0668 8.4683 119.1579 54.6210 18.2615 179.5964 8 K 4.0627 7.7727 117.2044 59.3609 32.1326 178.6237 9 Y 4.2246 7.9642 117.2579 60.9319 37.9861 177.9061 10 I 3.8901 7.8915 120.4712 64.3091 36.8289 178.4260 11 G 3.8485 8.3325 106.3954 47.8797 0.0000 175.5053 12 A 4.2415 7.7982 122.1247 54.7173 18.5950 179.6793 13 G 3.6660 7.8994 104.1966 47.9564 0.0000 176.1366 14 I 3.7864 8.3365 122.5640 64.2121 37.2302 178.4347 15 S 4.3155 7.8596 114.1671 60.9174 62.6767 176.1828 16 T 4.2422 7.7620 118.4305 65.6201 68.4081 176.6683 17 I 3.9644 7.6192 121.5743 63.7930 36.9147 178.3068 18 G 3.7300 7.7979 105.3667 47.3188 0.0000 175.5551 19 L 4.1064 7.8753 120.5511 56.9012 41.7008 178.7432 20 L 4.0502 7.8567 120.7815 58.2722 41.8758 179.3657 21 G 3.5662 7.8997 105.1855 47.8867 0.0000 175.6833 22 A 4.1885 8.0562 123.2605 54.3448 18.1989 179.8750 23 G 3.5714 8.4958 104.8977 48.2243 0.0000 176.1374 24 I 3.7930 7.7992 122.7053 63.6555 36.5850 178.6396 25 G 3.7490 8.2402 106.7667 47.9655 0.0000 175.6979 26 I 3.9707 7.9956 122.1383 64.0864 37.2361 178.0722 27 A 4.1131 7.5972 121.2240 55.5487 18.1601 179.5865 28 I 3.6661 7.7701 117.9061 64.6584 37.2785 178.8786 29 V 3.5803 7.5538 117.6753 66.1688 31.4070 178.1625 30 F 4.0201 8.5499 117.3453 60.1345 38.6789 177.4917 31 A 4.0092 8.8112 120.7134 55.3863 18.3113 179.6793 32 A 4.0548 8.0403 118.7698 54.6359 18.1552 179.7230 33 L 3.8922 7.7626 119.6518 58.3252 42.2829 179.1674 34 I 3.7942 7.8468 113.1165 63.9553 37.4076 177.9478 35 N 4.4990 8.1248 117.8291 55.9714 38.6856 177.3709 36 G 3.6963 8.3240 107.1880 47.1209 0.0000 175.3145 37 V 4.0748 7.4131 119.1076 64.1316 31.5671 177.2789 38 S 4.4829 7.8033 112.5430 60.0053 62.6234 174.4466 39 R 4.4013 7.3761 119.3994 54.3565 32.1171 176.2941 40 N 4.1026 7.3844 114.3188 52.3140 38.3114 171.8651 41 P 4.4773 0.0000 0.0000 65.1055 31.9886 177.0260 42 S 4.3980 7.7380 113.5011 57.9697 60.9076 173.4482 43 I 3.6348 7.8238 130.6190 63.5610 37.8237 176.9038 44 K 4.3885 8.3924 123.0013 55.3593 32.1260 176.4237 45 D 4.3010 8.1832 113.2604 55.0031 44.1800 173.6389 46 T 3.6174 8.8775 126.6590 65.3633 67.7920 173.6737 47 V 3.7295 7.3733 116.3810 66.0818 31.9940 178.3725 48 F 4.5670 8.0383 120.7856 60.9310 39.3237 175.2952 49 P 4.5988 0.0000 0.0000 63.1961 30.5801 176.6585 50 M 4.6775 7.9788 117.9740 54.6195 35.0915 177.5659 51 A 3.9172 8.0191 120.5875 54.8434 18.3972 179.7546 52 I 3.8121 7.4855 118.1601 64.3412 37.4002 178.0419 53 L 4.1293 7.9278 120.9355 58.1257 41.7418 179.1951 54 G 3.6038 8.3855 105.9632 47.5573 0.0000 175.5895 55 F 4.3145 8.2855 122.8744 60.9247 39.5691 177.0437 56 A 3.4746 8.4194 120.7456 55.1689 18.0633 179.6278 57 L 4.0305 7.5369 114.6876 56.8823 41.7327 178.6147 58 S 4.4836 7.3722 111.7359 58.9545 63.1913 174.4512 59 E 4.2089 7.8933 120.3961 56.6720 29.4290 177.2079 60 A 4.0013 7.7191 119.9677 55.3927 17.8642 179.8371 61 T 4.0457 7.8839 114.6172 66.9291 68.7288 176.9348 62 G 3.6427 7.9135 107.0871 47.7043 0.0000 175.5974 63 L 3.9807 7.8727 121.3326 57.5097 41.4520 179.1171 64 F 4.5453 7.7379 115.6273 59.2417 39.2220 176.2596 65 C 4.4947 7.6448 117.7026 61.0091 32.2235 174.9823 66 L 4.2512 8.4439 123.1688 56.8841 41.6343 178.5301 67 M 4.0305 7.7239 118.1871 58.7823 31.9860 178.3028 68 V 3.7459 7.8594 118.0719 65.5395 31.2322 178.0284 69 S 4.2259 7.8441 113.8238 61.4578 62.9376 176.5173 70 F 4.1265 8.4914 120.3337 59.6196 38.6620 177.2190 71 L 4.2366 8.0332 119.8584 57.9320 41.9179 178.1083 72 L 4.3925 7.4225 118.4934 55.8464 41.6503 177.6147 *73 L 4.1420 7.8669 125.0781 54.5744 41.6408 180.1083 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 M 8.30 4.48 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 2 Q 8.02 4.29 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 3 L 8.14 4.13 0.00 1.70 1.66 0.91 0.84 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 4 V 7.62 3.76 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 1.06 0.00 0.00 0.92 0.00 0.00 5 L 7.70 3.93 0.00 1.51 1.40 0.85 0.65 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 6 A 7.50 3.88 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 7 A 8.47 4.07 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 8 K 7.77 4.06 0.00 2.23 2.05 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.53 7.81 9 Y 7.96 4.22 0.00 3.21 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 10 I 7.89 3.89 1.91 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 1.60 0.57 0.93 0.00 0.00 11 G 8.33 3.85 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 0.00 0.00 0.00 12 A 7.80 4.24 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 13 G 7.90 3.67 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 0.00 0.00 0.00 14 I 8.34 3.79 1.89 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 1.72 1.25 0.93 0.00 0.00 15 S 7.86 4.32 0.00 4.07 3.95 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 16 T 7.76 4.24 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 1.25 0.00 0.00 17 I 7.62 3.96 2.00 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 1.47 0.84 0.92 0.00 0.00 18 G 7.80 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 19 L 7.88 4.11 0.00 1.82 1.76 0.96 0.73 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 20 L 7.86 4.05 0.00 1.88 1.78 0.93 0.88 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 21 G 7.90 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.06 4.19 1.42 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 23 G 8.50 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.80 3.79 2.01 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 0.80 0.94 0.00 0.00 25 G 8.24 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 26 I 8.00 3.97 2.03 0.00 0.00 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 1.89 1.45 1.27 0.00 0.00 27 A 7.60 4.11 1.42 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 28 I 7.77 3.67 2.06 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 0.79 0.94 0.00 0.00 29 V 7.55 3.58 2.27 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 0.95 0.00 0.00 0.97 0.00 0.00 30 F 8.55 4.02 0.00 3.23 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 31 A 8.81 4.01 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 8.04 4.05 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 33 L 7.76 3.89 0.00 1.75 1.80 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.85 3.79 1.88 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 1.89 0.46 1.00 0.00 0.00 35 N 8.12 4.50 0.00 2.83 2.93 0.00 0.00 7.00 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 36 G 8.32 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 37 V 7.41 4.07 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 1.00 0.00 0.00 0.99 0.00 0.00 38 S 7.80 4.48 0.00 4.05 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 0.00 39 R 7.38 4.40 0.00 1.95 1.91 0.00 3.31 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 40 N 7.38 4.10 0.00 2.90 2.83 0.00 0.00 6.96 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 4.48 0.00 2.17 2.17 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 42 S 7.74 4.40 0.00 4.06 3.97 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 43 I 7.82 3.63 1.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.12 0.94 0.00 0.00 44 K 8.39 4.39 0.00 1.79 1.83 0.00 2.11 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.69 7.81 45 D 8.18 4.30 0.00 2.64 2.49 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 0.00 0.00 0.00 0.00 46 T 8.88 3.62 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 1.22 0.00 0.00 47 V 7.37 3.73 2.22 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 0.93 0.00 0.00 0.96 0.00 0.00 48 F 8.04 4.57 0.00 3.19 3.04 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 0.00 0.00 0.00 49 P 0.00 4.60 0.00 2.05 1.99 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 50 M 7.98 4.68 0.00 1.95 2.21 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 2.58 2.44 0.00 51 A 8.02 3.92 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 52 I 7.49 3.81 1.72 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.21 0.97 0.00 0.00 53 L 7.93 4.13 0.00 1.67 1.83 0.90 1.05 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 54 G 8.39 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 8.29 4.31 0.00 3.27 3.34 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 56 A 8.42 3.47 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 57 L 7.54 4.03 0.00 1.63 1.73 0.91 0.87 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 58 S 7.37 4.48 0.00 3.90 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 59 E 7.89 4.21 0.00 1.52 1.45 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 0.00 2.19 2.30 0.00 60 A 7.72 4.00 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 61 T 7.88 4.05 4.43 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 1.24 0.00 0.00 62 G 7.91 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 7.87 3.98 0.00 1.47 1.44 0.74 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.74 4.55 0.00 3.16 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 65 C 7.64 4.49 0.00 3.33 3.10 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 0.00 0.00 0.00 0.00 66 L 8.44 4.25 0.00 1.90 1.55 1.05 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 67 M 7.72 4.03 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 68 V 7.86 3.75 2.14 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 1.07 0.00 0.00 1.05 0.00 0.00 69 S 7.84 4.23 0.00 4.37 4.17 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 70 F 8.49 4.13 0.00 3.05 3.18 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 71 L 8.03 4.24 0.00 2.00 1.75 1.02 0.96 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 72 L 7.42 4.39 0.00 1.83 1.86 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *73 L 7.87 4.14 0.00 1.41 1.48 0.92 0.79 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 * Residues marked with a * may have inaccurate shift predictions.