NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4933 8.1633 118.3315 55.3037 33.4886 173.3751 2 Q 4.9182 8.2087 116.6958 53.8913 32.1358 173.6524 3 Y 5.2198 9.4378 120.3868 56.1845 42.3662 174.1255 4 K 5.0537 9.3461 123.1714 54.6450 35.2438 174.3024 5 L 5.0871 9.3002 130.3994 53.4143 44.4748 174.7993 6 I 4.5992 8.5301 127.2654 59.9003 39.5210 174.7734 7 L 4.3476 8.5881 127.5278 53.9659 43.0360 175.5731 8 N 5.1308 8.6190 122.1335 50.8230 38.1374 173.8553 9 G 4.4294 8.3331 117.9021 44.9282 0.0000 170.0237 10 K 4.0767 8.8881 119.0387 59.5705 32.1023 178.1280 11 T 4.4961 7.5520 109.8925 62.6152 70.7472 174.0000 12 L 4.3494 7.7576 123.0422 53.8224 41.4984 175.9468 13 K 5.4957 7.7731 122.2401 53.4814 36.7047 177.1443 14 G 4.0387 7.5220 109.6562 46.2910 0.0000 170.8538 15 E 5.3029 8.6604 120.4467 54.9167 33.2288 175.5627 16 T 4.8443 8.9572 110.3967 61.0112 72.4645 172.8944 17 T 5.2560 8.4717 118.2999 63.2025 73.2011 172.6967 18 T 4.6363 9.0920 116.2033 61.1365 71.4718 171.7567 19 E 5.2371 8.7204 127.3586 54.7687 30.8019 174.6461 20 A 4.8038 9.1885 128.1143 51.0940 22.3755 176.4491 21 V 3.8528 8.6182 118.8098 63.7705 32.1559 176.7783 22 D 5.0545 7.7681 118.1602 51.9167 44.6595 176.6894 23 A 3.1523 8.4136 126.1581 55.0244 18.0892 179.9963 24 A 4.0616 8.0344 120.1626 55.0326 17.0481 179.6207 25 T 3.7292 7.3955 111.2264 64.9266 67.2508 176.4418 26 A 3.9238 7.1992 123.0385 54.6532 17.8314 179.4015 27 E 3.5622 7.6272 116.1195 59.0843 29.6901 179.3291 28 K 3.6922 7.2486 118.6734 59.3097 32.0511 179.3548 29 V 3.3800 6.8279 118.0158 65.9850 31.4312 178.1529 30 F 4.4589 7.1190 117.1633 60.7085 38.5332 177.9588 31 K 3.6684 8.6831 117.9428 59.2267 31.5128 178.9980 32 Q 4.0713 7.9836 119.7564 59.1035 28.9714 177.4708 33 Y 4.3684 8.9108 122.2777 59.9395 38.8197 177.5515 34 A 4.0441 8.4697 122.1026 55.0905 18.2482 179.1122 35 N 4.2220 7.6427 113.7505 57.0771 38.8790 176.2203 36 D 4.4002 7.9519 119.2488 56.6318 41.2381 177.7244 37 N 4.2859 7.4719 115.5993 53.3811 39.2476 174.8659 38 G 4.0550 8.5649 106.2115 45.6136 0.0000 174.0895 39 V 4.0529 7.4117 119.1377 60.8676 31.1283 175.1435 40 D 4.9718 8.8229 124.8269 52.3630 43.2738 174.1739 41 G 3.8744 8.0830 119.2996 44.6931 0.0000 170.8605 42 E 4.4420 9.2051 121.3891 56.2314 30.8645 176.3432 43 W 5.4112 8.8439 121.1775 55.3303 32.7203 174.5332 44 T 4.9215 8.7993 116.9521 60.6189 71.3820 171.9386 45 Y 4.4532 8.1769 125.2184 55.8186 42.2969 173.3254 46 D 4.3136 9.3088 128.5969 53.4541 41.6186 176.0451 47 D 4.4467 8.0864 124.2930 53.5547 41.9671 176.9880 48 A 4.1437 7.6752 120.9888 54.9156 18.6786 177.9612 49 T 4.4297 8.8556 102.7798 60.0916 70.6759 173.6636 50 K 4.2007 7.9628 120.4839 58.1737 28.9953 175.1989 51 T 5.2301 8.2702 115.0913 62.1014 72.8522 175.2583 52 F 5.2684 10.0648 126.1580 56.4011 42.3069 175.0375 53 T 5.0348 8.6473 111.0079 60.4333 72.0266 172.7336 54 V 3.8136 7.8726 124.3703 59.6191 33.8251 174.3599 55 T 5.2643 8.8709 119.8860 58.9077 70.1636 173.3932 56 E 4.3367 8.6774 125.7085 56.4202 29.4673 175.8111 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 8.16 4.49 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.83 0.00 2 Q 8.21 4.92 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.62 0.00 3 Y 9.44 5.22 0.00 3.42 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 9.35 5.05 0.00 1.86 1.70 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.46 7.81 5 L 9.30 5.09 0.00 0.27 0.62 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.53 4.60 1.84 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 1.39 1.01 0.97 0.00 0.00 7 L 8.59 4.35 0.00 1.92 1.74 1.02 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.62 5.13 0.00 2.61 2.85 0.00 0.00 5.99 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.33 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 0.00 0.00 0.00 0.00 10 K 8.89 4.08 0.00 1.74 1.87 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.52 7.81 11 T 7.55 4.50 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 12 L 7.76 4.35 0.00 1.70 1.63 0.95 0.67 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 13 K 7.77 5.50 0.00 1.66 1.65 0.00 1.89 0.00 0.00 2.36 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.53 7.81 14 G 7.52 4.04 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 0.00 0.00 0.00 15 E 8.66 5.30 0.00 1.83 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 2.20 2.21 0.00 16 T 8.96 4.84 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 1.12 0.00 0.00 17 T 8.47 5.26 4.34 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 1.36 0.00 0.00 18 T 9.09 4.64 3.80 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 1.19 0.00 0.00 19 E 8.72 5.24 0.00 2.02 1.85 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 2.22 2.39 0.00 20 A 9.19 4.80 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 V 8.62 3.85 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 0.71 0.00 0.00 0.98 0.00 0.00 22 D 7.77 5.05 0.00 2.80 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 3.15 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.03 4.06 1.35 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 0.00 0.00 0.00 25 T 7.40 3.73 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 1.18 0.00 0.00 26 A 7.20 3.92 0.75 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 27 E 7.63 3.56 0.00 1.82 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 2.24 2.04 0.00 28 K 7.25 3.69 0.00 1.86 1.78 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.53 7.81 29 V 6.83 3.38 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 0.84 0.00 0.00 0.71 0.00 0.00 30 F 7.12 4.46 0.00 2.86 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 31 K 8.68 3.67 0.00 1.34 1.46 0.00 1.13 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.21 7.81 32 Q 7.98 4.07 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 33 Y 8.91 4.37 0.00 3.14 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 34 A 8.47 4.04 1.85 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 35 N 7.64 4.22 0.00 2.75 2.89 0.00 0.00 7.25 8.34 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 36 D 7.95 4.40 0.00 2.57 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.47 4.29 0.00 2.26 2.70 0.00 0.00 7.44 7.40 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 38 G 8.56 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.41 4.05 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 0.82 0.00 0.00 0.92 0.00 0.00 40 D 8.82 4.97 0.00 2.66 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 41 G 8.08 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.21 4.44 0.00 1.84 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 2.52 2.44 0.00 43 W 8.84 5.41 0.00 3.18 3.28 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 44 T 8.80 4.92 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 1.32 0.00 0.00 45 Y 8.18 4.45 0.00 2.80 2.68 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 0.00 0.00 0.00 0.00 46 D 9.31 4.31 0.00 2.39 2.40 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 47 D 8.09 4.45 0.00 2.37 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.68 4.14 1.18 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 0.00 0.00 49 T 8.86 4.43 4.21 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 0.00 0.00 0.00 1.17 0.00 0.00 50 K 7.96 4.20 0.00 2.00 1.88 0.00 1.72 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.26 7.81 51 T 8.27 5.23 4.21 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 0.00 0.00 0.00 1.31 0.00 0.00 52 F 10.06 5.27 0.00 2.86 3.19 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 0.00 0.00 0.00 0.00 53 T 8.65 5.03 4.18 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 1.21 0.00 0.00 54 V 7.87 3.81 0.67 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 0.30 0.00 0.00 0.03 0.00 0.00 55 T 8.87 5.26 4.13 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 0.00 0.00 1.14 0.00 0.00 56 E 8.68 4.34 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00