NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3110 8.2493 123.5824 52.0245 18.6302 175.2483 2 E 4.5191 8.0125 118.3657 53.6342 33.0109 173.7011 3 G 3.9624 9.4027 109.7127 45.6493 0.0000 175.7993 4 D 4.7147 8.3137 118.9463 54.1067 38.4419 176.4845 5 D 5.0446 7.6712 125.9378 52.6521 42.1184 175.6257 6 P 4.3704 0.0000 0.0000 65.2736 32.1124 177.2465 7 A 4.0247 8.0327 121.0751 54.6996 18.2639 179.0774 8 K 4.0394 8.0219 116.8549 59.4432 32.9847 178.6334 9 A 3.9788 7.7589 122.6573 54.9138 18.0657 178.9925 10 A 4.6151 8.0178 120.0054 54.4908 18.5204 179.3736 11 F 4.6183 7.7681 117.3333 61.7022 39.5174 177.1960 12 N 4.1796 8.6320 116.8594 56.3961 38.6490 176.8081 13 S 4.1042 8.5511 117.4346 61.5596 63.0375 176.1846 14 L 4.0238 7.8777 122.8133 58.1271 41.5277 178.8378 15 Q 4.0763 8.3452 119.6729 58.7794 28.9031 177.6551 16 A 4.0486 8.2760 121.9905 54.7273 18.3596 179.3905 17 S 4.0397 7.6821 112.5869 61.7701 62.8421 176.3923 18 A 4.2185 7.8186 123.5427 55.7913 17.8726 179.6431 19 T 3.8073 8.2952 114.6687 66.8195 68.3021 176.1655 20 E 3.7001 8.2169 118.7967 59.6038 29.5268 178.5410 21 Y 3.8288 7.7998 116.9645 60.3664 38.1915 177.8985 22 I 3.9857 7.6107 120.1962 63.8462 36.9788 178.6192 23 G 3.5985 7.9948 106.8491 47.8428 0.0000 174.8425 24 Y 4.6567 7.1427 115.5792 58.4987 38.0018 177.3357 25 A 4.0136 7.6861 123.6267 55.2039 18.4201 179.7655 26 W 4.1145 8.2689 116.4977 59.9933 29.1761 178.4921 27 A 4.1096 8.2153 120.2146 55.3318 17.7806 179.1954 28 M 4.0247 8.4320 117.2562 58.6611 32.2728 178.6986 29 V 3.5906 7.7729 118.6473 65.8881 31.7349 178.2778 30 V 3.6539 8.1137 118.2416 65.7747 31.3468 178.0029 31 V 3.5516 8.3811 118.4231 66.1707 31.2945 177.7396 32 I 3.6720 7.8802 119.4754 64.6029 37.0398 178.4521 33 V 3.6811 7.8309 118.7455 65.9268 31.3514 178.1440 34 G 3.6362 8.6790 105.4717 47.7956 0.0000 175.1867 35 A 3.9498 8.5967 123.8896 55.1689 18.2071 179.4479 36 T 3.8217 7.8196 112.8708 67.0943 68.8933 176.4520 37 I 3.9681 7.9081 121.2042 64.2950 37.0172 178.5030 38 G 3.7743 8.6347 106.8481 48.2941 0.0000 175.3979 39 I 3.3190 8.2722 122.9221 64.6265 36.9443 177.1942 40 K 4.2744 8.3970 121.2635 58.0075 32.0165 178.2697 41 L 3.8677 7.9189 119.0925 59.3467 40.1187 179.1651 42 F 4.2002 9.1649 121.4035 60.6734 39.3200 176.6455 43 K 4.1930 7.5378 117.6318 59.1973 32.5146 178.7810 44 K 4.1854 9.0210 119.2242 58.1100 32.1900 177.0225 45 F 5.3238 8.4665 122.8864 58.8106 39.3687 175.3326 46 T 4.1367 7.7652 108.5609 62.6934 70.3233 174.8482 47 S 4.3727 7.5527 113.8212 55.6071 63.9319 174.3931 48 K 3.6966 7.2984 116.5933 58.3520 31.6359 174.3561 49 A 4.4058 8.4739 121.1852 52.0305 18.6439 177.7815 50 S 4.0706 7.3952 120.9987 60.3329 63.6025 172.2819 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 A 8.25 4.31 1.29 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 2 E 8.01 4.52 0.00 2.11 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 2.16 2.37 0.00 3 G 9.40 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 0.00 0.00 0.00 4 D 8.31 4.71 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.67 5.04 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.37 0.00 2.32 2.30 0.00 3.88 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 7 A 8.03 4.02 1.36 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 0.00 0.00 8 K 8.02 4.04 0.00 1.99 2.13 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.78 1.54 7.81 9 A 7.76 3.98 1.40 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 0.00 0.00 10 A 8.02 4.62 1.36 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 0.00 0.00 11 F 7.77 4.62 0.00 3.12 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.63 4.18 0.00 2.87 2.77 0.00 0.00 7.24 7.15 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 13 S 8.55 4.10 0.00 3.91 3.94 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 0.00 0.00 0.00 14 L 7.88 4.02 0.00 1.83 1.93 0.99 1.01 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 15 Q 8.35 4.08 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.50 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 16 A 8.28 4.05 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 17 S 7.68 4.04 0.00 4.23 4.40 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 18 A 7.82 4.22 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 19 T 8.30 3.81 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 1.20 0.00 0.00 20 E 8.22 3.70 0.00 1.87 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 0.00 2.41 1.77 0.00 21 Y 7.80 3.83 0.00 3.21 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 22 I 7.61 3.99 1.94 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 1.55 1.07 0.90 0.00 0.00 23 G 7.99 3.60 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 0.00 24 Y 7.14 4.66 0.00 3.06 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 25 A 7.69 4.01 1.29 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 26 W 8.27 4.11 0.00 3.47 3.22 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 0.00 27 A 8.22 4.11 1.41 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 28 M 8.43 4.02 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 29 V 7.77 3.59 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.81 0.00 0.00 30 V 8.11 3.65 2.30 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 0.73 0.00 0.00 1.14 0.00 0.00 31 V 8.38 3.55 2.35 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 0.99 0.00 0.00 0.94 0.00 0.00 32 I 7.88 3.67 2.09 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 1.41 0.66 0.92 0.00 0.00 33 V 7.83 3.68 2.27 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 1.12 0.00 0.00 1.04 0.00 0.00 34 G 8.68 3.64 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 0.00 0.00 0.00 35 A 8.60 3.95 1.37 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 0.00 0.00 0.00 36 T 7.82 3.82 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 1.22 0.00 0.00 37 I 7.91 3.97 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.92 0.00 0.00 38 G 8.63 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.27 3.32 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.03 0.94 0.00 0.00 40 K 8.40 4.27 0.00 1.86 1.95 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 41 L 7.92 3.87 0.00 1.95 1.96 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 42 F 9.16 4.20 0.00 2.97 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 43 K 7.54 4.19 0.00 2.04 2.23 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.51 7.81 44 K 9.02 4.19 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.63 7.81 45 F 8.47 5.32 0.00 2.90 2.96 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 46 T 7.77 4.14 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 1.09 0.00 0.00 47 S 7.55 4.37 0.00 3.77 3.77 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 0.00 0.00 0.00 0.00 48 K 7.30 3.70 0.00 2.00 1.81 0.00 2.14 0.00 0.00 1.94 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.57 7.81 49 A 8.47 4.41 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 50 S 7.40 4.07 0.00 4.19 3.84 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 0.00 0.00 0.00