NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9315 8.3549 109.7368 45.2053 0.0000 174.7656 3 K 3.9702 8.5784 117.4609 54.7619 33.9599 171.2167 4 V 4.4905 8.6262 121.9996 61.4187 35.5507 173.5269 5 Y 4.9976 8.8621 124.3690 56.1376 40.8683 174.7185 6 K 4.5036 8.2205 122.5463 54.4919 35.3180 174.7535 7 K 4.9681 8.4745 125.0774 54.6118 34.5081 175.6889 8 V 4.4387 8.6158 123.6805 61.0373 34.9479 173.7140 9 E 4.9119 8.9062 128.7552 55.2007 30.2392 174.8355 10 L 4.8566 8.9943 127.2531 52.8544 45.7216 176.0459 11 V 4.6084 8.2953 120.4299 61.1984 33.4567 174.9538 12 G 4.4556 8.9820 116.5864 45.0327 0.0000 171.7550 13 T 5.3552 8.1711 113.4185 60.1653 72.1042 173.0275 14 S 4.6731 8.8172 115.3824 57.9391 65.9114 175.3372 15 E 4.6900 9.0390 124.1887 57.6637 30.1425 177.6156 16 E 4.2011 8.2805 118.5513 57.6747 30.2981 176.3270 17 G 3.4164 7.1694 104.8883 43.9905 0.0000 173.8015 18 L 3.7581 7.3203 118.2106 57.8200 41.4587 179.4080 19 E 3.8983 8.0873 117.7535 59.5938 29.4289 179.2952 20 A 3.9290 7.8961 119.8285 54.8400 18.5725 179.4644 21 A 3.9237 7.7303 118.9965 55.3807 18.5149 179.9147 22 I 3.5299 7.6669 118.3175 64.6906 37.0821 178.7974 23 Q 3.9064 8.2495 118.7118 58.5358 28.5326 178.6414 24 A 3.9056 8.0600 121.7355 55.1015 18.4865 179.4612 25 A 3.8909 7.8381 118.6549 55.4724 18.5155 179.7754 26 L 3.8850 7.8081 117.1703 57.6553 41.3998 179.5765 27 A 3.9692 7.9900 120.4589 55.0005 18.2341 179.3781 28 R 3.9290 7.9150 116.6655 59.2828 30.1624 178.4143 29 A 3.8874 7.9810 120.6666 55.2956 17.0724 179.6273 30 R 3.9334 7.9488 116.9334 59.3581 29.8296 178.8679 31 K 4.2460 7.6221 117.3251 58.7532 32.0132 177.8504 32 T 4.4103 7.2409 113.6057 63.3295 71.0252 174.1353 33 L 4.4724 7.9812 120.2168 52.7558 43.6262 175.9460 34 R 4.4924 7.9454 120.1131 55.5275 32.9643 174.9855 35 H 4.1670 8.4309 113.4086 56.8126 26.1521 175.2410 36 L 4.4936 8.1103 118.7516 55.4187 42.1659 175.5838 37 D 5.2095 9.2428 122.3593 55.1627 43.0186 176.2431 38 W 5.5759 7.8901 113.4414 54.9016 32.1336 172.9606 39 F 5.4408 8.5244 114.2030 55.3296 41.1709 173.9229 40 E 4.6790 9.3642 118.8296 54.7027 33.3702 174.9966 41 V 4.2399 8.7092 125.5238 63.0091 31.6611 175.5415 42 K 4.5049 9.2481 128.6424 58.5412 33.0835 176.8074 43 E 4.8002 7.8432 115.0063 55.3995 32.8842 174.1052 44 I 4.8748 8.3663 121.3234 59.9618 39.7074 174.9581 45 R 4.7467 9.4232 126.1556 54.9649 34.7621 174.1098 46 G 4.3097 7.8938 106.8159 47.2137 0.0000 172.1198 47 T 4.7773 7.8063 109.9157 59.9231 71.8663 173.4710 48 I 4.7651 8.2464 122.6257 59.7985 39.6089 175.4204 49 G 4.3690 8.8053 116.9404 43.9696 0.0000 172.6818 50 E 3.8463 8.9261 118.6032 58.5220 29.8116 178.2955 51 A 4.6800 8.0180 119.7755 51.8269 20.6281 176.3751 52 G 4.0107 7.3591 108.4129 45.2335 0.0000 176.9872 53 V 3.8179 8.2336 124.4379 62.7956 31.8113 174.4057 54 K 4.3428 8.5721 128.0583 57.5718 33.7571 176.0673 55 E 4.7295 7.5591 120.1702 54.6636 33.0519 173.7199 56 Y 4.6280 9.3663 125.5971 57.9231 39.7931 174.9363 57 Q 4.8353 9.3591 122.0564 54.4030 32.5788 174.4670 58 V 4.6269 8.7243 126.2547 61.1570 33.1319 174.9948 59 V 4.3660 8.6701 129.7123 62.5676 32.8580 174.6538 60 L 5.1740 9.0648 129.1525 53.6769 45.9875 174.1459 61 E 5.0623 9.4741 126.0435 54.7337 31.9962 174.8855 62 V 4.5210 8.8565 125.0432 60.9715 34.1676 174.2214 63 G 3.2560 8.2130 116.0210 43.9530 0.0000 172.3035 64 F 5.6340 8.4241 118.9768 54.8545 41.9402 173.7786 65 R 4.0671 8.8306 121.9353 56.0734 30.4489 176.0855 66 L 4.3676 8.2861 127.2287 54.5596 42.3036 177.1493 67 E 4.0345 8.7957 122.4686 56.5138 30.4378 172.1195 68 E 3.4956 8.6263 131.6935 56.5901 29.9372 175.0296 *69 T 4.1630 8.4481 116.9826 61.0926 69.2274 170.0469 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 G 8.35 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 3 K 8.58 3.97 0.00 1.80 1.41 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 4 V 8.63 4.49 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 1.08 0.00 0.00 0.91 0.00 0.00 5 Y 8.86 5.00 0.00 3.00 3.02 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 0.00 0.00 0.00 6 K 8.22 4.50 0.00 1.46 0.74 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.15 1.26 7.81 7 K 8.47 4.97 0.00 1.64 1.65 0.00 2.06 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.13 1.36 7.81 8 V 8.62 4.44 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 1.06 0.00 0.00 1.11 0.00 0.00 9 E 8.91 4.91 0.00 2.03 1.86 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 2.24 2.45 0.00 10 L 8.99 4.86 0.00 1.55 1.49 0.87 0.43 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 11 V 8.30 4.61 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 8.98 4.46 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 13 T 8.17 5.36 4.35 0.00 0.00 0.00 0.00 0.00 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 14 S 8.82 4.67 0.00 3.90 3.90 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 0.00 0.00 0.00 0.00 15 E 9.04 4.69 0.00 2.03 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 2.42 2.34 0.00 16 E 8.28 4.20 0.00 1.98 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 2.34 2.40 0.00 17 G 7.17 3.42 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 18 L 7.32 3.76 0.00 1.54 1.63 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.09 3.90 0.00 1.99 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 2.43 0.00 20 A 7.90 3.93 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 21 A 7.73 3.92 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 22 I 7.67 3.53 1.87 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 1.42 0.77 0.40 0.00 0.00 23 Q 8.25 3.91 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 24 A 8.06 3.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 3.89 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 26 L 7.81 3.88 0.00 1.60 1.63 0.55 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.99 3.97 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 28 R 7.91 3.93 0.00 1.92 2.04 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 7.98 3.89 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 30 R 7.95 3.93 0.00 1.99 2.08 0.00 3.08 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.62 4.25 0.00 1.90 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.63 7.81 32 T 7.24 4.41 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 1.10 0.00 0.00 33 L 7.98 4.47 0.00 1.27 0.78 0.36 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.95 4.49 0.00 1.68 1.47 0.00 3.29 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 1.43 1.52 0.00 35 H 8.43 4.17 0.00 3.65 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.11 4.49 0.00 1.66 1.66 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.24 5.21 0.00 3.10 3.08 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 0.00 0.00 0.00 0.00 38 W 7.89 5.58 0.00 3.27 3.20 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 0.00 0.00 0.00 0.00 39 F 8.52 5.44 0.00 3.01 2.92 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 0.00 0.00 0.00 40 E 9.36 4.68 0.00 1.97 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 2.43 2.50 0.00 41 V 8.71 4.24 2.18 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 0.83 0.00 0.00 1.14 0.00 0.00 42 K 9.25 4.50 0.00 1.78 1.87 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.56 7.81 43 E 7.84 4.80 0.00 2.02 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 2.29 2.35 0.00 44 I 8.37 4.87 1.92 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 1.39 0.72 1.00 0.00 0.00 45 R 9.42 4.75 0.00 1.69 1.82 0.00 3.40 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 46 G 7.89 4.31 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 0.00 47 T 7.81 4.78 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 48 I 8.25 4.77 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.92 0.00 0.00 49 G 8.81 4.37 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 0.00 50 E 8.93 3.85 0.00 1.93 1.98 0.00 0.00 0.00 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 2.30 0.00 51 A 8.02 4.68 1.25 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 0.00 0.00 0.00 52 G 7.36 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 0.00 0.00 0.00 53 V 8.23 3.82 1.80 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 -0.38 0.00 0.00 0.72 0.00 0.00 54 K 8.57 4.34 0.00 1.82 1.81 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.32 7.81 55 E 7.56 4.73 0.00 2.13 1.67 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 2.20 2.29 0.00 56 Y 9.37 4.63 0.00 3.07 2.83 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 57 Q 9.36 4.84 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 58 V 8.72 4.63 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 0.94 0.00 0.00 0.95 0.00 0.00 59 V 8.67 4.37 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 0.87 0.00 0.00 0.95 0.00 0.00 60 L 9.06 5.17 0.00 1.90 1.53 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.47 5.06 0.00 1.96 1.84 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 2.25 2.25 0.00 62 V 8.86 4.52 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 0.95 0.00 0.00 0.89 0.00 0.00 63 G 8.21 3.26 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 0.00 64 F 8.42 5.63 0.00 3.35 3.02 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 0.00 0.00 0.00 65 R 8.83 4.07 0.00 1.93 1.94 0.00 2.98 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.15 0.00 66 L 8.29 4.37 0.00 1.60 1.55 0.86 0.88 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 67 E 8.80 4.03 0.00 2.00 1.90 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 0.00 2.36 2.40 0.00 68 E 8.63 3.50 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 *69 T 8.45 4.16 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 * Residues marked with a * may have inaccurate shift predictions.