NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.0331 7.8976 120.3910 62.9479 32.3633 173.7767 13 T 4.4079 8.3946 118.2225 60.1980 70.2963 172.7280 14 L 4.7509 9.3200 126.0573 53.4483 45.1716 176.6428 15 T 5.0336 8.3198 117.3860 61.9056 71.3646 173.3414 16 I 4.4979 8.9015 127.6104 59.4368 40.2089 174.6612 17 R 5.0292 8.6227 125.5246 54.4939 32.0951 175.3805 18 L 4.7237 9.0366 124.3141 53.3619 44.0189 176.3171 19 L 5.1206 8.2007 121.9824 53.2588 43.6696 175.6931 *21 H 4.5977 8.4990 116.3212 55.4360 30.0276 175.0802 22 G 3.6943 8.6737 108.8083 47.8129 0.0000 176.1739 23 K 3.9994 8.0336 120.5366 59.9680 32.7070 179.0405 24 E 4.0377 8.1164 119.4138 58.9523 29.4598 179.2038 25 V 3.6658 8.1745 118.7242 65.9904 31.6008 177.9204 26 G 3.8647 8.0176 105.7179 48.2600 0.0000 175.6294 27 S 4.4460 7.5482 113.6668 60.6964 63.2001 176.3495 28 I 3.8524 7.4131 122.6642 64.2215 37.1246 178.0900 29 I 3.8359 7.8775 120.8051 63.6792 37.2160 177.8742 30 G 4.0627 8.4032 105.6385 44.3624 0.0000 172.5832 31 K 4.1858 8.2520 117.8134 57.4822 32.0249 177.8858 32 K 3.8942 9.3714 122.3702 57.1564 29.4709 176.3683 33 G 3.9697 8.3721 105.5367 46.5888 0.0000 176.3653 34 E 3.9805 7.9784 120.5653 58.8896 29.2030 179.4250 35 S 4.1016 7.9017 115.4990 61.5379 63.2532 176.4247 36 V 3.7455 7.5856 120.4211 64.3762 31.3386 177.7867 37 K 4.0176 8.2123 120.5265 59.3660 31.8744 179.0947 38 K 3.7900 7.6756 116.3100 57.5503 32.1325 178.1615 *40 R 4.2556 7.8765 117.2854 56.0199 31.9958 177.6605 41 E 4.0097 8.2418 115.5531 59.5439 29.5438 178.5490 42 E 4.2319 8.3241 117.2352 58.6537 30.0102 178.3493 43 S 4.1814 8.1962 113.4096 59.0284 63.5673 175.8065 44 G 3.9584 7.8975 106.5705 45.5638 0.0000 173.2663 45 A 4.4000 7.7599 121.4021 51.4126 19.5736 178.1263 46 R 4.0924 8.7547 120.9420 56.2139 31.2744 175.7018 47 I 4.9652 8.4191 125.0503 59.4921 39.5467 174.3887 48 N 4.9998 9.1886 126.4064 51.7085 41.5709 173.0189 49 I 4.9486 8.2518 126.6320 59.0493 39.3654 175.5274 50 S 4.1041 8.6937 122.5112 58.6288 63.1841 174.2774 51 E 3.9509 9.0712 125.4926 55.0634 29.8167 175.9907 52 G 4.4181 8.0106 119.2783 45.2858 0.0000 170.5123 53 N 4.7094 8.0531 117.8042 53.7382 39.4230 174.8420 54 C 4.4117 7.8535 116.2658 57.7773 32.4677 171.5817 55 P 4.3289 0.0000 0.0000 64.6666 31.0896 176.1805 56 E 4.5105 7.7836 119.1354 55.5724 31.2437 174.0980 57 R 4.7860 8.6829 126.0151 54.3714 34.2348 174.7366 58 I 4.8005 8.7337 123.3836 59.7636 39.8888 174.6527 59 I 4.7476 8.6606 128.7379 60.2851 38.7028 174.8333 60 T 4.9303 8.6925 125.1254 62.3236 70.3024 173.9795 61 L 5.2298 8.9233 126.2058 52.8758 44.7814 175.4570 62 A 5.7289 9.3668 124.6490 48.3611 23.0590 176.3105 63 G 4.1099 8.4164 107.8886 43.6417 0.0000 170.1658 64 P 4.9150 0.0000 0.0000 61.9047 32.0445 177.2070 65 T 3.6136 8.6570 110.7835 65.2616 68.2661 175.9306 66 N 4.4800 8.3358 119.0012 55.6407 37.1702 176.9735 67 A 4.3328 7.9184 124.1344 54.5801 18.5841 179.3426 68 I 3.6149 7.7385 117.8577 64.7651 37.0659 178.4393 69 F 4.5454 8.2399 118.3445 60.6525 38.5264 177.8047 70 K 3.9982 8.1812 116.5817 59.4835 31.9453 179.0005 71 A 4.1570 7.9590 119.6823 55.0577 18.5975 179.0188 72 F 4.2868 8.7871 119.4109 61.4084 39.4098 177.9785 73 A 4.2176 8.2029 116.9923 53.0764 18.0885 179.0322 *75 I 3.9849 7.7092 122.9454 62.7154 39.3366 178.3454 76 I 3.5622 7.5243 114.3564 63.9874 37.1071 177.8408 77 D 4.3399 8.1520 120.6599 57.0697 40.5970 179.0744 78 K 3.9456 7.8840 118.3298 59.5476 32.0089 179.2985 79 L 4.1606 7.7241 117.6652 57.0237 41.5294 178.6950 80 E 4.1296 7.7777 116.6725 57.0371 29.9942 176.3226 81 E 4.8006 7.5030 123.0195 57.1440 30.7895 175.4396 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 12 V 7.90 4.03 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 0.97 0.00 0.00 0.92 0.00 0.00 13 T 8.39 4.41 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 14 L 9.32 4.75 0.00 1.52 1.50 0.79 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.32 5.03 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 1.19 0.00 0.00 16 I 8.90 4.50 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.89 0.87 0.00 0.00 17 R 8.62 5.03 0.00 1.64 1.83 0.00 3.23 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 18 L 9.04 4.72 0.00 1.58 1.62 1.06 0.67 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 19 L 8.20 5.12 0.00 1.51 1.56 0.91 1.21 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 *21 H 8.50 4.60 0.00 3.37 3.24 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.67 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 23 K 8.03 4.00 0.00 1.99 2.08 0.00 1.49 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.53 7.81 24 E 8.12 4.04 0.00 2.26 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 2.41 2.40 0.00 25 V 8.17 3.67 2.21 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 1.01 0.00 0.00 0.98 0.00 0.00 26 G 8.02 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 0.00 0.00 0.00 27 S 7.55 4.45 0.00 4.08 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 28 I 7.41 3.85 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.52 0.90 0.00 0.00 29 I 7.88 3.84 1.87 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 1.45 0.78 0.91 0.00 0.00 30 G 8.40 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.25 4.19 0.00 1.83 1.77 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.46 7.81 32 K 9.37 3.89 0.00 1.91 1.92 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.42 7.81 33 G 8.37 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 0.00 0.00 0.00 34 E 7.98 3.98 0.00 2.27 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 0.00 2.42 2.45 0.00 35 S 7.90 4.10 0.00 4.05 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 36 V 7.59 3.75 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 37 K 8.21 4.02 0.00 1.97 2.05 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.47 7.81 38 K 7.68 3.79 0.00 2.10 1.93 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.55 7.81 *40 R 7.88 4.26 0.00 2.08 2.00 0.00 3.19 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 41 E 8.24 4.01 0.00 2.09 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 0.00 2.35 2.29 0.00 42 E 8.32 4.23 0.00 2.06 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 2.34 2.25 0.00 43 S 8.20 4.18 0.00 4.23 4.14 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 44 G 7.90 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.76 4.40 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 46 R 8.75 4.09 0.00 1.80 1.88 0.00 3.07 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 47 I 8.42 4.97 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 0.78 0.92 0.00 0.00 48 N 9.19 5.00 0.00 2.72 2.63 0.00 0.00 6.58 8.62 0.00 0.00 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 I 8.25 4.95 1.87 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 1.40 0.77 0.91 0.00 0.00 50 S 8.69 4.10 0.00 3.87 3.91 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 51 E 9.07 3.95 0.00 1.95 1.92 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 0.00 2.29 2.31 0.00 52 G 8.01 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 0.00 0.00 0.00 0.00 53 N 8.05 4.71 0.00 2.70 2.81 0.00 0.00 6.98 7.65 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 54 C 7.85 4.41 0.00 2.98 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.09 2.11 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 56 E 7.78 4.51 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 57 R 8.68 4.79 0.00 1.73 1.77 0.00 3.38 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 58 I 8.73 4.80 1.87 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 1.23 0.69 0.95 0.00 0.00 59 I 8.66 4.75 1.89 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 1.23 0.60 0.93 0.00 0.00 60 T 8.69 4.93 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 1.20 0.00 0.00 61 L 8.92 5.23 0.00 1.54 1.54 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.37 5.73 1.17 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 0.00 0.00 63 G 8.42 4.11 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 0.00 0.00 0.00 64 P 0.00 4.91 0.00 2.23 2.19 0.00 3.88 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 65 T 8.66 3.61 4.23 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 1.11 0.00 0.00 66 N 8.34 4.48 0.00 3.02 3.22 0.00 0.00 6.13 7.01 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 67 A 7.92 4.33 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 0.00 0.00 0.00 0.00 0.00 68 I 7.74 3.61 1.59 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.57 0.66 0.00 0.00 69 F 8.24 4.55 0.00 3.35 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 70 K 8.18 4.00 0.00 1.92 1.93 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.54 1.76 7.81 71 A 7.96 4.16 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 72 F 8.79 4.29 0.00 3.11 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 73 A 8.20 4.22 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 I 7.71 3.98 1.85 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 1.44 0.67 0.79 0.00 0.00 76 I 7.52 3.56 1.69 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.52 0.31 0.00 0.00 77 D 8.15 4.34 0.00 2.68 2.74 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 0.00 78 K 7.88 3.95 0.00 1.90 1.83 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.45 7.81 79 L 7.72 4.16 0.00 1.72 1.70 0.86 0.93 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 80 E 7.78 4.13 0.00 2.12 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 0.00 2.40 2.32 0.00 81 E 7.50 4.80 0.00 1.97 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 0.00 2.15 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.