NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.0225 0.0000 0.0000 62.8366 32.5483 177.1841 3 K 4.2316 7.8428 115.9842 56.0115 29.7240 172.6424 4 M 4.0394 9.2750 127.4201 55.9177 33.3631 175.8724 5 K 4.4772 8.3528 122.1269 54.9758 33.7151 176.9389 6 T 4.2524 8.2634 113.3053 62.0685 69.3386 174.5143 7 H 4.6696 8.7618 124.3513 55.7966 28.5749 176.6035 8 K 4.7402 7.5236 123.8854 59.0682 32.7931 179.0600 9 G 3.5707 7.7346 106.1168 47.8784 0.0000 174.1199 10 A 4.2786 9.2405 123.5807 54.2318 19.3509 179.2860 11 K 3.8178 8.0814 115.8370 59.3173 32.1623 177.6503 12 K 4.3382 7.8566 116.0758 57.5498 32.1569 178.2228 13 R 4.6341 9.2062 115.8329 54.9718 29.7928 174.8027 14 V 4.5393 7.3522 114.8445 62.0278 33.7028 171.7149 15 K 4.6640 8.6562 122.4345 54.8138 35.8783 174.8056 16 I 4.5659 8.4615 126.8722 60.5484 39.4318 174.8405 17 T 4.5936 9.2378 119.5951 59.6832 71.3443 175.2457 18 A 4.0271 8.8154 124.6353 55.6598 18.4349 179.4170 19 S 4.1925 8.1107 110.3856 61.8949 62.9672 174.1825 20 G 3.4588 7.6398 107.6131 44.7701 0.0000 174.1112 21 K 4.0498 7.8448 120.8616 56.8947 33.5645 176.0581 22 V 4.7078 8.3465 122.2525 61.3658 33.5428 174.8107 23 V 4.8663 9.8587 129.7327 60.5342 33.2368 174.1479 24 A 5.1703 8.3990 129.2772 49.8886 22.0537 175.1545 25 M 4.2419 8.7184 120.6479 55.3107 32.7226 176.6519 26 K 4.2381 8.2492 121.5135 57.1103 33.1041 176.3805 27 T 4.5750 8.3630 110.9982 60.9634 71.3035 173.6237 28 G 4.0891 8.7352 111.2198 45.5384 0.0000 174.6897 29 K 4.6897 7.7362 117.2186 55.3086 32.1716 175.7900 30 R 4.5182 7.5085 118.8357 57.8745 32.6657 177.0016 31 H 4.7130 7.8343 109.5656 55.9382 29.7492 175.1814 32 L 4.1209 8.9346 120.8880 59.4856 41.7633 176.5217 33 N 3.8966 6.9019 114.3039 49.9916 40.7397 172.2473 34 W 3.7015 8.1448 132.5235 57.4552 28.1610 174.9889 35 Q 3.8699 6.4293 119.2601 53.2323 27.5747 174.1154 36 K 4.3680 7.2365 117.4117 53.1846 36.5664 177.4065 37 S 4.3300 8.6783 119.3483 58.5172 64.4880 175.6304 38 G 3.5701 8.5429 109.3899 47.5880 0.0000 175.5503 39 K 3.8480 8.1260 121.6034 60.1877 31.8044 177.8754 40 E 3.9851 7.7715 116.8277 59.1487 29.4390 178.7448 41 I 3.8033 7.8803 120.7711 64.8314 37.4441 178.3097 42 R 4.0510 9.4702 118.3947 58.9739 30.8070 178.4301 43 Q 4.4376 8.0015 118.4435 55.4994 28.0856 177.6861 44 K 4.5693 7.6161 117.3181 54.6216 33.0744 175.6017 45 G 4.2950 7.4070 108.7078 44.6062 0.0000 171.5852 46 R 4.8575 8.4409 118.9034 55.7631 31.3979 175.9405 47 K 4.6122 8.4322 118.5098 55.2610 36.6743 176.3556 48 F 5.0756 8.4102 119.6580 58.2671 40.1585 174.5959 49 V 4.4243 8.0289 116.4379 62.3823 34.1909 172.4295 50 L 4.6487 7.9157 126.8058 53.7558 45.2448 177.5750 51 A 4.2774 8.5425 122.5057 52.6974 17.9681 178.9003 52 K 4.4404 8.5148 113.9473 56.2127 32.1245 176.6099 53 P 4.4588 0.0000 0.0000 65.4760 31.6129 177.8230 54 E 4.3246 8.2989 117.7487 60.0814 29.3317 178.4134 55 A 4.1012 8.1018 120.5459 53.7856 18.2974 178.9183 56 E 3.8775 8.8474 119.5669 59.1288 30.2900 179.5465 57 R 4.1687 9.5171 118.8304 58.7453 29.9925 177.7727 58 I 3.9473 8.0835 116.3656 62.0480 37.1655 176.3816 59 K 4.5344 7.8775 118.5003 56.2431 33.3878 176.8797 60 L 4.6749 7.4362 118.5974 56.1234 41.3563 179.2423 61 L 3.3008 6.6845 114.5874 57.5557 42.7801 178.3614 62 L 4.2326 7.7355 122.4613 57.0678 43.1413 176.5977 63 P 4.6177 0.0000 0.0000 63.4288 30.7379 176.1968 *64 Y 4.3354 8.4365 115.2709 56.9229 37.4812 172.3538 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 P 0.00 4.02 0.00 2.19 2.14 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 3 K 7.84 4.23 0.00 1.88 2.06 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.52 7.81 4 M 9.27 4.04 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 5 K 8.35 4.48 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 6 T 8.26 4.25 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 1.22 0.00 0.00 7 H 8.76 4.67 0.00 3.18 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.52 4.74 0.00 1.86 1.76 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.54 7.81 9 G 7.73 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 10 A 9.24 4.28 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 3.82 0.00 1.73 1.88 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.50 7.81 12 K 7.86 4.34 0.00 2.06 1.83 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.41 7.81 13 R 9.21 4.63 0.00 1.88 1.94 0.00 3.12 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 14 V 7.35 4.54 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 0.63 0.00 0.00 0.99 0.00 0.00 15 K 8.66 4.66 0.00 1.82 1.63 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.38 7.81 16 I 8.46 4.57 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 1.41 0.97 0.92 0.00 0.00 17 T 9.24 4.59 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 1.30 0.00 0.00 18 A 8.82 4.03 1.32 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 0.00 0.00 19 S 8.11 4.19 0.00 3.90 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 20 G 7.64 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.05 0.00 1.84 1.89 0.00 1.86 0.00 0.00 2.00 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 22 V 8.35 4.71 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 0.80 0.00 0.00 0.94 0.00 0.00 23 V 9.86 4.87 2.11 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 1.23 0.00 0.00 1.00 0.00 0.00 24 A 8.40 5.17 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 25 M 8.72 4.24 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 26 K 8.25 4.24 0.00 1.72 1.76 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.73 7.81 27 T 8.36 4.58 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 1.27 0.00 0.00 28 G 8.74 4.09 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 0.00 0.00 0.00 29 K 7.74 4.69 0.00 1.83 1.79 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.45 7.81 30 R 7.51 4.52 0.00 1.79 1.95 0.00 3.30 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 31 H 7.83 4.71 0.00 3.21 3.28 0.00 5.53 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.93 4.12 0.00 1.73 1.84 0.97 1.15 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 33 N 6.90 3.90 0.00 2.83 2.79 0.00 0.00 6.97 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 34 W 8.14 3.70 0.00 3.32 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 6.43 3.87 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.46 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 36 K 7.24 4.37 0.00 1.64 1.59 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.31 7.81 37 S 8.68 4.33 0.00 4.00 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 38 G 8.54 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 39 K 8.13 3.85 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.55 7.81 40 E 7.77 3.99 0.00 2.14 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 2.32 0.00 41 I 7.88 3.80 1.95 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 1.41 0.44 0.91 0.00 0.00 42 R 9.47 4.05 0.00 1.83 2.01 0.00 3.25 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 43 Q 8.00 4.44 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 44 K 7.62 4.57 0.00 1.81 1.71 0.00 1.61 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.45 7.81 45 G 7.41 4.30 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 0.00 46 R 8.44 4.86 0.00 1.68 1.87 0.00 3.16 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 47 K 8.43 4.61 0.00 1.72 1.82 0.00 1.35 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.43 7.81 48 F 8.41 5.08 0.00 2.98 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 49 V 8.03 4.42 2.12 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 0.70 0.00 0.00 1.09 0.00 0.00 50 L 7.92 4.65 0.00 1.64 1.41 0.79 1.07 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 51 A 8.54 4.28 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 52 K 8.51 4.44 0.00 1.80 1.84 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.46 7.81 53 P 0.00 4.46 0.00 2.25 2.30 0.00 3.56 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 2.04 2.01 0.00 54 E 8.30 4.32 0.00 2.06 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 2.39 2.44 0.00 55 A 8.10 4.10 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 56 E 8.85 3.88 0.00 2.14 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 0.00 2.35 2.43 0.00 57 R 9.52 4.17 0.00 2.19 1.89 0.00 3.15 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 58 I 8.08 3.95 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 0.91 0.00 0.00 59 K 7.88 4.53 0.00 1.80 1.81 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.40 7.81 60 L 7.44 4.67 0.00 1.63 1.65 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 61 L 6.68 3.30 0.00 1.64 1.54 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.74 4.23 0.00 1.64 1.73 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.62 0.00 2.18 1.89 0.00 3.77 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 2.08 1.96 0.00 *64 Y 8.44 4.34 0.00 2.10 2.15 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 * Residues marked with a * may have inaccurate shift predictions.