NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9187 8.0093 121.4414 60.9937 38.3512 174.5712 4 K 4.3841 7.9058 124.3465 54.1969 35.0437 170.2456 5 V 4.2628 7.7547 118.8000 61.8746 35.3110 175.3386 6 R 4.2292 8.1081 122.4298 56.1140 31.5647 173.3999 7 E 4.7624 8.6248 125.1779 54.3488 32.0646 175.8230 8 N 4.3113 8.5803 120.8463 53.1606 39.9429 171.6871 9 E 3.4221 8.5725 125.0462 55.0395 27.4259 173.4676 10 P 4.0580 0.0000 0.0000 62.4873 29.2167 174.1614 11 F 4.8126 6.9988 119.5015 55.3745 39.3605 175.9583 12 D 4.7863 8.7557 129.3364 54.2035 39.1258 176.3433 13 V 4.4249 7.4748 117.1985 59.8000 34.6420 176.3324 14 A 3.9964 8.9237 127.9373 53.2685 19.1497 176.9055 15 L 3.6006 7.8095 114.9733 56.3401 40.1530 174.5371 16 R 4.1483 7.8784 119.7279 59.0970 31.6104 178.7655 17 R 3.8101 7.9304 117.3633 59.3554 30.4387 177.6682 18 F 3.9626 8.5761 118.3184 61.4185 39.0909 176.1625 19 K 4.1070 8.7368 119.9970 59.8725 32.4169 177.6168 20 R 4.6115 7.3685 118.1974 53.8477 28.3521 177.0895 21 S 4.6028 7.5650 107.7332 58.9197 66.4064 175.2249 22 C 4.9373 7.7795 114.7284 59.1626 36.2776 173.6112 23 E 4.6804 7.2347 119.7384 53.2878 30.5059 177.4921 24 K 3.4513 8.6812 130.0814 58.1340 32.1288 177.7740 25 A 4.2588 8.6405 121.1960 52.4606 17.8010 177.3026 26 G 4.3143 8.8568 110.8232 46.9480 0.0000 175.9428 27 V 3.7547 7.5579 115.8460 63.2111 32.0675 176.4720 28 L 4.4224 7.2740 117.0315 57.1718 42.4815 178.3233 29 A 4.1658 7.9846 119.2032 54.7924 18.3060 178.4239 30 E 4.1243 7.5151 116.9913 57.9051 29.9878 177.5375 31 V 4.1057 7.7229 115.8658 62.6699 32.0468 177.0955 32 R 3.9690 7.7933 117.4250 60.8174 30.5398 175.3774 33 R 4.4894 7.6059 116.9708 54.0854 32.4111 174.6271 34 R 4.0633 8.3055 114.2116 56.3524 30.6591 178.0273 35 E 4.3501 7.9263 123.7579 55.6635 27.8937 176.9353 36 F 4.6256 7.5864 127.5391 59.0476 46.6831 172.5764 37 Y 3.8779 7.2115 118.8353 57.7939 36.8527 170.5001 38 E 4.4018 8.1556 118.4054 58.5019 31.2422 178.1224 39 K 3.9461 8.3036 118.2696 59.1048 31.9491 177.1689 40 P 3.6426 0.0000 0.0000 65.8762 31.3840 178.4599 41 T 3.8638 7.1017 106.5760 62.7425 68.3130 173.3310 42 T 4.3625 7.1809 110.0658 61.5480 71.8713 175.4914 43 E 3.7963 8.2666 125.5812 58.5975 30.7379 179.4164 44 R 4.0207 7.8039 116.9598 59.0454 30.4121 178.0752 45 K 4.2908 7.8119 113.1582 57.1335 32.1610 178.0718 46 R 4.3514 7.9864 119.3810 57.2147 30.7399 178.1213 47 A 4.1352 7.7344 120.3788 54.1761 18.1558 179.6240 48 K 3.9655 7.9766 117.4478 59.9626 32.6324 179.0657 49 A 3.5404 7.7890 121.1068 54.6112 18.6597 178.8574 50 S 4.3238 7.8693 110.3790 60.2304 62.5415 176.0526 51 A 4.0738 8.0362 123.9175 54.9536 18.2697 179.4552 52 V 3.6787 8.2896 117.7120 64.9255 31.2318 176.2256 53 K 3.9826 7.5187 123.2102 56.9765 32.9089 174.1267 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 3 I 8.01 3.92 1.84 0.00 0.00 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 1.72 1.17 0.47 0.00 0.00 4 K 7.91 4.38 0.00 1.80 1.66 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.17 1.27 7.81 5 V 7.75 4.26 2.03 0.00 0.00 0.00 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 0.80 0.00 0.00 6 R 8.11 4.23 0.00 1.73 1.75 0.00 3.22 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 7 E 8.62 4.76 0.00 2.18 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 2.32 2.44 0.00 8 N 8.58 4.31 0.00 2.69 2.74 0.00 0.00 7.08 7.65 0.00 0.00 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 E 8.57 3.42 0.00 2.05 1.92 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 2.29 2.33 0.00 10 P 0.00 4.06 0.00 2.09 1.99 0.00 3.58 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 11 F 7.00 4.81 0.00 3.02 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 12 D 8.76 4.79 0.00 2.74 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 13 V 7.47 4.42 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 0.79 0.00 0.00 0.91 0.00 0.00 14 A 8.92 4.00 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 15 L 7.81 3.60 0.00 1.80 1.74 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.88 4.15 0.00 1.96 1.93 0.00 3.34 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 17 R 7.93 3.81 0.00 1.93 1.95 0.00 3.37 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 18 F 8.58 3.96 0.00 3.05 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 19 K 8.74 4.11 0.00 2.15 1.90 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.52 7.81 20 R 7.37 4.61 0.00 1.91 1.91 0.00 3.43 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 21 S 7.56 4.60 0.00 3.82 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 22 C 7.78 4.94 0.00 3.07 2.98 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 0.00 0.00 0.00 23 E 7.23 4.68 0.00 2.02 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 2.29 2.42 0.00 24 K 8.68 3.45 0.00 2.06 0.89 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.38 7.81 25 A 8.64 4.26 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.86 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 27 V 7.56 3.75 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 0.93 0.00 0.00 0.97 0.00 0.00 28 L 7.27 4.42 0.00 1.79 1.66 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.98 4.17 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 30 E 7.52 4.12 0.00 2.30 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 2.34 2.43 0.00 31 V 7.72 4.11 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 0.86 0.00 0.00 0.97 0.00 0.00 32 R 7.79 3.97 0.00 1.90 1.90 0.00 3.25 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 1.58 1.66 0.00 33 R 7.61 4.49 0.00 1.71 1.70 0.00 3.27 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 1.47 1.54 0.00 34 R 8.31 4.06 0.00 1.87 1.93 0.00 2.79 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 35 E 7.93 4.35 0.00 1.38 1.12 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 2.24 2.31 0.00 36 F 7.59 4.63 0.00 2.82 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 37 Y 7.21 3.88 0.00 3.25 2.97 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 0.00 0.00 0.00 38 E 8.16 4.40 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 39 K 8.30 3.95 0.00 2.01 1.99 0.00 2.15 0.00 0.00 2.06 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.68 1.91 7.81 40 P 0.00 3.64 0.00 2.08 1.85 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 41 T 7.10 3.86 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 1.20 0.00 0.00 42 T 7.18 4.36 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 1.19 0.00 0.00 43 E 8.27 3.80 0.00 1.90 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 2.28 2.32 0.00 44 R 7.80 4.02 0.00 2.05 1.86 0.00 2.89 0.00 0.00 2.96 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 45 K 7.81 4.29 0.00 1.94 1.81 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.41 7.81 46 R 7.99 4.35 0.00 2.00 1.93 0.00 3.15 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 47 A 7.73 4.14 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 48 K 7.98 3.97 0.00 2.02 2.06 0.00 1.39 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.55 7.81 49 A 7.79 3.54 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.87 4.32 0.00 3.89 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 51 A 8.04 4.07 1.31 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 52 V 8.29 3.68 2.15 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 0.82 0.00 0.00 0.92 0.00 0.00 53 K 7.52 3.98 0.00 1.78 1.63 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.27 7.81