NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.4540 8.2227 120.1759 53.7918 41.6318 175.7797 12 V 3.1120 7.9592 127.3002 64.8836 31.3561 176.0600 13 R 3.1838 8.5422 119.3706 59.3699 30.0612 177.1304 14 H 4.6214 7.0846 112.4667 56.8116 28.9342 175.9685 15 H 4.7443 7.7888 117.7141 54.9519 30.1296 175.1192 16 F 4.9438 7.2937 120.1286 57.7986 39.5556 176.0275 17 T 4.2610 9.3786 121.6954 62.5971 70.3263 174.2715 18 P 4.3031 0.0000 0.0000 65.9596 31.4185 179.2290 19 S 4.1106 8.0346 112.4589 61.5573 63.0572 176.1189 20 E 3.6622 8.1026 121.6994 58.8471 29.1955 179.2918 21 R 3.6081 7.8770 118.6979 59.2769 30.2743 178.0116 22 Q 3.8838 7.8366 119.3437 59.5006 29.0527 178.3038 23 L 3.8913 7.8409 119.6367 58.3710 41.6003 179.6049 24 C 4.2311 7.7043 115.7707 62.5867 28.0608 176.0067 25 L 3.9269 7.6470 120.3994 58.1289 41.2447 179.6556 26 S 4.0867 7.8636 114.7883 61.8473 62.6220 177.2150 27 S 3.8775 7.5482 117.1468 61.3696 62.3727 176.7624 28 I 3.6260 7.5469 122.8638 64.5292 36.8767 177.7810 29 Q 3.9451 8.5908 120.5515 59.7007 28.7945 178.3871 30 T 3.8450 8.4336 116.3857 66.7368 68.6443 176.3426 31 A 4.0007 8.2830 122.6152 55.2898 18.2666 179.2789 32 F 3.8495 8.3731 119.4378 60.9495 39.4008 176.7810 33 N 4.4798 8.6147 115.5956 55.8592 38.5415 176.9203 34 Q 4.2282 8.5904 117.7522 57.0807 29.0774 176.9174 35 G 3.7945 7.7956 108.9619 45.2274 0.0000 173.3799 36 A 4.2126 7.7164 122.2128 51.8623 19.5246 179.0217 37 G 3.8717 8.4826 107.7960 45.2469 0.0000 172.4244 38 T 4.6458 8.2098 115.1208 61.9873 72.0390 172.7892 39 C 5.4098 9.0283 127.1499 58.0214 33.6053 172.8800 40 T 4.7407 8.8368 122.7518 61.6088 71.8144 172.7414 41 L 5.1033 8.5267 127.5416 53.4181 43.5659 176.2706 42 S 4.5622 9.1733 121.9845 56.9536 64.5992 174.6338 43 D 4.3474 8.7970 120.9800 57.6965 40.7030 177.7662 44 S 4.4605 8.0487 109.8463 58.2036 63.0929 174.8994 45 G 3.9952 8.4525 110.7459 45.4826 0.0000 174.5536 46 R 4.1791 7.7020 119.1411 56.3103 31.3641 175.4223 47 I 5.0935 8.3349 123.5592 59.7361 39.3286 175.1450 48 S 4.9435 8.9572 120.3054 56.6754 66.4079 172.2105 49 Y 5.6553 8.6138 122.0016 56.4524 42.4328 174.1483 50 T 4.5677 7.9378 120.9750 62.0459 72.8792 173.3663 51 V 4.7176 8.1003 117.6955 59.6900 36.0865 173.9518 52 E 4.6104 8.7936 123.5816 54.3367 31.7474 174.9402 53 F 5.0154 7.8898 119.1218 55.8937 41.2138 173.0835 54 S 4.7509 8.6522 115.9919 56.7300 64.8705 174.3450 55 L 4.5863 8.1279 123.7544 52.8741 43.2024 175.4184 56 P 4.4803 0.0000 0.0000 62.9147 33.2553 177.8179 57 T 3.8913 8.5030 116.8916 67.2731 68.1294 176.6346 58 H 4.3314 8.2288 116.0942 58.4652 28.6049 177.3532 59 H 4.1509 7.7677 118.9889 58.9724 28.4028 177.2552 60 T 3.8776 7.7833 117.5608 66.8130 68.3401 176.6278 61 V 3.6527 7.8331 119.7726 65.9997 31.6896 177.8435 62 R 3.9111 7.6077 117.0784 59.5088 29.9359 178.5359 63 L 3.9876 8.1527 118.6206 57.9663 41.4853 179.2454 64 I 3.6849 8.5755 119.2955 64.5837 37.0655 178.4105 65 R 4.0577 8.2230 118.0637 59.4880 30.1462 179.3470 66 V 3.8030 7.4685 109.0867 63.3389 31.6513 177.0957 67 T 4.1540 7.5337 120.2086 63.5794 68.6099 174.2508 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 11 D 8.22 4.45 0.00 2.64 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 3.11 1.23 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 0.92 0.00 0.00 0.77 0.00 0.00 13 R 8.54 3.18 0.00 1.89 1.92 0.00 3.25 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 14 H 7.08 4.62 0.00 3.07 3.24 0.00 5.62 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 7.79 4.74 0.00 3.15 3.30 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 7.29 4.94 0.00 3.22 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 17 T 9.38 4.26 4.51 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.17 2.12 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 19 S 8.03 4.11 0.00 4.04 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 0.00 20 E 8.10 3.66 0.00 2.09 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 2.23 2.17 0.00 21 R 7.88 3.61 0.00 2.01 2.25 0.00 3.20 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 22 Q 7.84 3.88 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.48 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 23 L 7.84 3.89 0.00 1.71 1.65 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 C 7.70 4.23 0.00 3.13 3.21 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 0.00 25 L 7.65 3.93 0.00 1.99 1.68 0.91 0.88 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 26 S 7.86 4.09 0.00 3.81 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 27 S 7.55 3.88 0.00 2.72 2.85 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 28 I 7.55 3.63 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.44 1.05 0.00 0.00 29 Q 8.59 3.95 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 30 T 8.43 3.84 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 31 A 8.28 4.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 3.85 0.00 2.82 3.12 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 0.00 0.00 0.00 0.00 33 N 8.61 4.48 0.00 2.69 2.85 0.00 0.00 7.10 7.57 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 34 Q 8.59 4.23 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.76 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 35 G 7.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 4.21 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 37 G 8.48 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 38 T 8.21 4.65 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 39 C 9.03 5.41 0.00 3.17 2.86 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 40 T 8.84 4.74 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 1.24 0.00 0.00 41 L 8.53 5.10 0.00 1.64 1.58 0.96 0.95 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 42 S 9.17 4.56 0.00 4.02 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 43 D 8.80 4.35 0.00 2.66 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.46 0.00 4.02 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 45 G 8.45 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 0.00 0.00 0.00 46 R 7.70 4.18 0.00 1.80 1.88 0.00 3.11 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 47 I 8.33 5.09 1.91 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 1.43 0.85 1.03 0.00 0.00 48 S 8.96 4.94 0.00 3.92 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 49 Y 8.61 5.66 0.00 3.10 2.89 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 50 T 7.94 4.57 4.15 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 1.14 0.00 0.00 51 V 8.10 4.72 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 0.61 0.00 0.00 0.90 0.00 0.00 52 E 8.79 4.61 0.00 1.87 1.79 0.00 0.00 0.00 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 2.20 0.00 53 F 7.89 5.02 0.00 3.16 3.01 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 54 S 8.65 4.75 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 4.59 0.00 1.64 1.59 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.48 0.00 2.24 2.06 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 57 T 8.50 3.89 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 1.23 0.00 0.00 58 H 8.23 4.33 0.00 3.33 3.55 0.00 5.45 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 7.77 4.15 0.00 3.29 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.78 3.88 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 1.21 0.00 0.00 61 V 7.83 3.65 2.09 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 0.94 0.00 0.00 0.94 0.00 0.00 62 R 7.61 3.91 0.00 2.10 2.11 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 63 L 8.15 3.99 0.00 1.90 1.71 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.58 3.68 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 1.51 0.32 0.94 0.00 0.00 65 R 8.22 4.06 0.00 1.91 1.99 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 66 V 7.47 3.80 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 0.76 0.00 0.00 0.95 0.00 0.00 67 T 7.53 4.15 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00