NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.7163 8.3049 120.6202 56.0204 33.7481 173.8568 1 D 4.5933 8.7494 121.3426 53.0468 46.2088 172.7710 2 T 4.9148 9.0422 118.1230 63.1061 69.9936 173.8655 3 Y 5.0881 9.4484 124.0437 56.1365 41.5537 174.6102 4 K 5.1299 9.4422 123.2576 54.5876 35.9540 174.3390 5 L 4.9690 8.3252 127.5918 53.1936 44.8471 174.8454 6 I 4.7056 8.6691 127.5423 59.8159 39.3724 174.5830 7 L 4.5823 8.9373 128.1018 53.5119 43.1820 175.2194 8 N 4.9910 9.2163 125.8778 51.7163 37.8932 173.8583 9 G 4.4122 8.8588 111.8596 43.5936 0.0000 172.0400 10 K 4.3091 9.4351 120.2014 58.4590 32.1922 178.6714 11 T 4.4717 7.3562 103.0950 60.6495 70.6476 173.6145 12 L 4.5520 7.8156 124.1983 52.8945 43.7168 174.3841 13 K 4.8863 8.5996 125.6186 54.9402 33.7393 175.6441 14 G 4.2859 8.9094 111.4981 45.3471 0.0000 170.8150 15 E 5.2861 8.4827 117.8791 55.0658 33.7621 174.7839 16 T 4.7748 8.5043 116.0542 61.1792 71.7103 171.9932 17 T 5.4549 8.2555 112.7184 60.5373 72.4172 172.8675 18 T 4.7908 9.2172 115.6667 60.7768 71.3745 172.1460 19 E 5.1322 8.8133 126.1077 55.6985 30.8688 175.4531 20 A 4.6642 9.3590 124.7520 50.6187 22.7343 177.7260 21 V 3.6454 8.4984 113.1073 64.2185 32.0803 176.4716 22 D 4.7491 7.4473 117.4122 51.0999 43.3752 175.8501 23 A 3.3132 8.4414 120.3077 55.0682 18.4284 179.6112 24 A 3.9924 7.7496 118.7277 55.1944 18.5747 179.9839 25 T 3.6175 8.1072 114.4036 66.6194 68.5420 176.7403 26 A 3.3267 7.2337 122.5842 54.7676 18.1707 178.9800 27 E 2.8623 7.8685 118.0703 59.2599 29.4222 179.3874 28 K 3.7436 7.4687 117.6966 59.1996 32.0363 179.4480 29 V 3.4900 7.2217 118.0028 66.2053 31.3632 178.2025 30 F 4.7506 8.0687 117.7693 60.5453 38.8118 177.8576 31 K 3.9531 8.3165 118.7495 59.6201 31.6980 178.9120 32 H 4.2046 8.1406 118.3991 59.2638 29.8640 176.4304 33 Y 4.2333 8.4249 121.2938 60.9222 38.5900 178.1299 34 A 4.1292 8.8003 121.8323 55.2909 18.5343 179.0621 35 N 4.2738 8.1908 115.0511 56.9837 38.8221 176.6648 36 E 3.8457 8.1112 119.1363 59.3999 29.5357 178.2144 37 H 4.6578 7.6918 113.1684 54.2821 29.1151 175.1309 38 G 3.9350 7.9171 108.3988 46.6011 0.0000 174.0247 39 V 4.3969 7.9184 119.2201 60.8024 32.8440 174.2648 40 H 4.9288 9.7159 126.9802 53.8071 33.2546 172.9727 41 G 4.1501 7.7416 115.9725 46.9303 0.0000 172.4946 42 H 4.8606 8.9698 122.5916 54.5211 30.2710 173.9495 43 W 5.3407 9.0360 122.7677 55.3277 31.2179 175.3672 44 T 5.0163 9.1376 112.9248 60.3078 72.3714 171.9634 45 Y 5.0182 8.4831 122.2776 55.9376 42.7339 173.2250 46 D 4.6247 8.2549 126.4749 51.6910 42.5731 174.7242 47 P 3.9328 0.0000 0.0000 65.1898 31.7529 178.9813 48 E 3.9143 8.1685 117.1846 58.7725 29.4215 177.6866 49 T 4.3599 7.4720 105.4049 60.1017 69.6517 174.2465 50 K 3.9329 7.1619 120.0098 57.3526 30.2956 174.6621 51 T 5.2281 7.6494 114.4457 61.9340 72.1544 175.0479 52 F 5.3999 9.9639 125.7750 56.8406 41.3429 175.0326 53 T 5.1334 9.2029 119.1721 61.6011 72.2806 173.1658 54 V 4.1030 8.2328 125.1841 59.8294 34.0651 174.5551 55 T 4.9535 8.4050 121.4983 61.4934 71.7102 174.0198 56 E 4.2338 8.9316 125.4229 56.5787 29.2166 176.6610 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 0 M 8.30 4.72 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.68 0.00 1 D 8.75 4.59 0.00 2.58 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 0.00 0.00 0.00 0.00 2 T 9.04 4.91 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 1.32 0.00 0.00 3 Y 9.45 5.09 0.00 3.14 3.47 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 0.00 4 K 9.44 5.13 0.00 1.87 1.69 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.46 7.81 5 L 8.33 4.97 0.00 0.27 0.45 0.87 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.67 4.71 1.81 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 1.18 0.44 0.85 0.00 0.00 7 L 8.94 4.58 0.00 1.55 1.55 0.99 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.22 4.99 0.00 2.68 2.71 0.00 0.00 6.58 7.84 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 9 G 8.86 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.44 4.31 0.00 1.77 1.88 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.52 7.81 11 T 7.36 4.47 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 7.82 4.55 0.00 1.72 1.54 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.60 4.89 0.00 1.64 1.70 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.34 7.81 14 G 8.91 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 5.29 0.00 1.77 1.75 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 2.15 2.25 0.00 16 T 8.50 4.77 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 0.34 0.00 0.00 17 T 8.26 5.45 4.44 0.00 0.00 0.00 0.00 0.00 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 18 T 9.22 4.79 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 0.73 0.00 0.00 19 E 8.81 5.13 0.00 1.93 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 2.35 0.00 20 A 9.36 4.66 1.01 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 21 V 8.50 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 0.76 0.00 0.00 0.89 0.00 0.00 22 D 7.45 4.75 0.00 2.88 2.75 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 23 A 8.44 3.31 1.15 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 0.00 0.00 24 A 7.75 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.11 3.62 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 26 A 7.23 3.33 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 2.86 0.00 1.77 1.83 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 1.84 1.89 0.00 28 K 7.47 3.74 0.00 1.84 1.70 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.50 7.81 29 V 7.22 3.49 1.68 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 0.93 0.00 0.00 0.75 0.00 0.00 30 F 8.07 4.75 0.00 2.98 3.14 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 0.00 0.00 0.00 31 K 8.32 3.95 0.00 1.59 1.66 0.00 1.16 0.00 0.00 1.18 0.00 0.00 2.45 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.36 0.40 7.81 32 H 8.14 4.20 0.00 3.23 3.52 0.00 5.80 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 33 Y 8.42 4.23 0.00 3.46 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.13 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 0.00 0.00 0.00 0.00 0.00 35 N 8.19 4.27 0.00 2.91 2.92 0.00 0.00 7.24 7.01 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 36 E 8.11 3.85 0.00 1.92 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 2.17 0.00 37 H 7.69 4.66 0.00 3.04 3.24 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.92 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 39 V 7.92 4.40 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 0.70 0.00 0.00 0.93 0.00 0.00 40 H 9.72 4.93 0.00 3.12 3.16 0.00 6.12 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 41 G 7.74 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 0.00 0.00 0.00 0.00 42 H 8.97 4.86 0.00 3.02 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 W 9.04 5.34 0.00 3.25 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 9.14 5.02 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 1.28 0.00 0.00 45 Y 8.48 5.02 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.62 0.00 2.59 2.26 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 47 P 0.00 3.93 0.00 2.14 2.12 0.00 3.43 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 48 E 8.17 3.91 0.00 2.06 1.95 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 2.25 2.20 0.00 49 T 7.47 4.36 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 1.16 0.00 0.00 50 K 7.16 3.93 0.00 1.73 1.61 0.00 1.32 0.00 0.00 0.93 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.25 7.81 51 T 7.65 5.23 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 1.23 0.00 0.00 52 F 9.96 5.40 0.00 3.20 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 9.20 5.13 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 54 V 8.23 4.10 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 0.49 0.00 0.00 0.18 0.00 0.00 55 T 8.40 4.95 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 1.19 0.00 0.00 56 E 8.93 4.23 0.00 1.82 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 2.51 2.22 0.00