NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 N 4.6779 8.4093 118.1167 52.5127 40.2163 173.1135 13 V 3.5692 7.9972 117.7963 61.2817 31.8712 173.9227 14 K 4.8147 8.1952 121.8879 55.7508 36.8229 175.6214 15 C 4.0960 7.8863 119.9424 58.3954 32.6324 174.3229 16 F 3.6830 8.0735 122.5002 59.1661 38.8128 176.4429 17 N 4.1034 7.1784 116.8392 55.6420 38.7805 174.5528 18 C 4.2435 8.2027 116.1171 58.0314 31.7522 174.1303 19 G 3.8507 7.8472 106.6564 46.5667 0.0000 173.1312 20 K 4.5220 7.3624 116.9082 54.0125 35.0046 176.7188 21 E 4.0850 8.4128 121.7830 57.0015 30.2488 177.1651 22 G 3.9119 9.9607 106.9197 46.0578 0.0000 172.7715 23 H 4.6877 7.4657 112.9522 54.8291 31.0257 172.4044 24 T 4.4821 8.0191 109.2535 59.2218 71.1518 175.1114 25 A 4.0855 8.6656 124.7120 55.0192 18.5280 179.3563 26 R 4.2186 8.0976 111.5752 58.9438 30.0990 177.7567 27 N 4.4664 7.6464 115.9417 55.6822 38.8815 175.3146 28 C 4.1096 8.3453 119.0798 59.9603 32.1439 174.3997 29 R 4.6236 8.4682 128.8382 55.9300 29.4482 176.0427 30 A 4.5749 7.6969 115.2719 50.4060 20.0152 175.2928 31 P 3.7895 0.0000 0.0000 64.8001 30.5659 174.4380 32 R 4.5815 8.2084 117.3403 55.6484 31.1330 176.7485 33 K 4.5512 8.5256 119.9380 55.3628 34.0610 176.9493 34 K 4.2075 8.4727 118.5347 58.3767 32.5732 177.8887 35 G 4.1871 7.8491 106.8056 44.5693 0.0000 172.1434 36 C 4.3192 8.8190 120.2303 58.8718 31.6184 174.3402 37 W 4.0172 9.1286 135.0000 59.4048 30.6611 175.1765 38 K 4.6319 7.6648 115.8616 58.1934 33.4536 176.8682 39 C 4.2855 8.1094 111.8008 59.2947 30.1834 173.8946 40 G 4.0063 8.3360 108.1524 45.4056 0.0000 173.8735 41 K 4.2823 7.7793 118.5456 56.3788 32.6575 176.7785 42 E 4.5457 8.3145 114.6538 55.7416 31.3859 176.1482 43 G 3.8701 7.9257 110.4276 43.7892 0.0000 172.0926 44 H 5.0079 6.9414 115.1298 54.4096 29.6295 174.0942 45 Q 5.3880 7.9398 117.2827 53.6027 30.9771 176.1033 46 M 4.1928 8.6437 114.3035 58.6139 31.5357 177.8866 47 K 4.0665 8.0735 117.8104 59.4408 32.5918 177.5560 48 D 4.4684 8.3397 117.1353 57.4778 40.8331 177.3693 49 C 3.7065 7.7688 118.5909 60.2138 32.1135 174.5161 50 T 4.3447 8.2105 121.3155 60.7765 67.8009 174.5184 51 E 4.2811 7.7562 119.8842 59.2256 31.3335 178.7592 52 R 4.0185 8.0447 117.4811 59.0557 30.5012 176.3576 53 Q 4.1825 7.9077 119.2895 56.0811 28.8745 175.7467 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 N 8.41 4.68 0.00 2.75 2.83 0.00 0.00 7.27 6.77 0.00 0.00 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 V 8.00 3.57 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 0.77 0.00 0.00 0.90 0.00 0.00 14 K 8.20 4.81 0.00 1.55 1.61 0.00 1.37 0.00 0.00 1.23 0.00 0.00 2.50 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.94 1.16 7.81 15 C 7.89 4.10 0.00 2.71 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 16 F 8.07 3.68 0.00 1.51 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 17 N 7.18 4.10 0.00 2.85 2.66 0.00 0.00 7.05 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.20 4.24 0.00 3.11 3.04 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 19 G 7.85 3.85 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 0.00 20 K 7.36 4.52 0.00 1.84 1.68 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 21 E 8.41 4.08 0.00 1.91 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 2.29 2.22 0.00 22 G 9.96 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 0.00 0.00 0.00 23 H 7.47 4.69 0.00 3.23 3.24 0.00 5.49 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.02 4.48 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 1.26 0.00 0.00 25 A 8.67 4.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 4.22 0.00 2.00 2.18 0.00 3.08 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 27 N 7.65 4.47 0.00 2.97 2.94 0.00 0.00 7.00 7.58 0.00 0.00 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 C 8.35 4.11 0.00 3.20 2.95 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 29 R 8.47 4.62 0.00 1.82 1.88 0.00 3.22 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 30 A 7.70 4.57 1.26 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 31 P 0.00 3.79 0.00 2.16 2.04 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 32 R 8.21 4.58 0.00 1.89 2.20 0.00 3.30 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.20 0.00 33 K 8.53 4.55 0.00 1.92 1.81 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.49 7.81 34 K 8.47 4.21 0.00 1.81 1.87 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.40 7.81 35 G 7.85 4.19 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 0.00 0.00 0.00 36 C 8.82 4.32 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.13 4.02 0.00 3.27 3.33 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 38 K 7.66 4.63 0.00 1.77 2.06 0.00 2.16 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.65 7.81 39 C 8.11 4.29 0.00 3.18 3.31 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 40 G 8.34 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 41 K 7.78 4.28 0.00 1.84 1.71 0.00 1.65 0.00 0.00 1.95 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.45 7.81 42 E 8.31 4.55 0.00 1.99 1.96 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 2.14 2.26 0.00 43 G 7.93 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 44 H 6.94 5.01 0.00 3.43 3.58 0.00 5.42 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.94 5.39 0.00 2.33 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.86 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 46 M 8.64 4.19 0.00 2.31 2.35 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 47 K 8.07 4.07 0.00 1.77 1.90 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.45 7.81 48 D 8.34 4.47 0.00 2.96 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 7.77 3.71 0.00 3.11 2.90 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 50 T 8.21 4.34 4.38 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 1.23 0.00 0.00 51 E 7.76 4.28 0.00 2.12 2.14 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 2.42 2.34 0.00 52 R 8.04 4.02 0.00 1.82 2.02 0.00 3.19 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 53 Q 7.91 4.18 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00