NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7039 8.4249 118.2175 52.5802 39.2168 174.1819 3 Q 4.3274 7.7239 116.6670 55.5196 28.9236 175.9439 4 G 3.7948 8.8599 109.7804 47.9025 0.0000 174.5848 5 K 4.3354 7.9118 118.5649 56.4980 32.4963 178.2901 6 I 3.4034 7.5821 121.9171 63.6881 37.7759 177.2322 7 W 5.2275 7.7724 116.4463 56.8232 29.1291 177.0194 8 T 4.2061 7.8688 109.2662 63.3061 68.7379 175.6621 9 V 4.1776 7.6676 113.8043 62.0606 34.0729 175.9221 10 V 4.1259 7.9499 120.4629 61.0511 32.4630 174.2867 11 N 4.7119 8.8135 125.8318 53.1153 39.7423 173.7506 12 P 4.1237 0.0000 0.0000 65.4883 31.1667 178.1267 13 A 3.9625 8.0662 120.2362 54.5594 18.4522 178.7885 14 I 4.2389 7.6595 117.3296 63.4812 38.1713 178.3271 15 G 3.8977 8.5203 106.9768 47.8614 0.0000 175.9102 16 I 3.7088 7.7696 122.1946 63.7256 37.0748 176.7019 17 P 4.2394 0.0000 0.0000 65.5351 31.0945 178.4382 18 A 4.0086 8.1313 119.5747 54.9407 18.2234 179.3507 19 L 3.9312 8.1541 118.8008 58.4154 42.3538 179.2798 20 L 4.0971 8.1332 118.9439 57.8159 41.5457 179.8430 21 G 3.6388 8.4622 106.0349 47.8473 0.0000 175.9799 22 S 4.1452 8.3495 117.7684 61.3585 62.8857 176.8810 23 V 3.6213 8.0213 121.0316 66.4126 31.2510 178.2724 24 T 3.9387 7.8603 115.0304 66.5105 68.2139 176.9440 25 V 3.6291 8.0421 120.3336 66.0027 31.4634 178.0813 26 I 3.6909 8.0034 119.3816 64.4074 36.9685 178.2078 27 A 4.0654 8.1166 121.4940 55.2106 18.1252 179.7541 28 I 3.7276 7.9630 118.2306 64.5986 37.2029 178.6310 29 L 4.0072 8.1626 119.9247 57.8059 41.4388 179.8237 30 V 3.5980 8.1601 118.3798 66.2009 31.4953 177.5872 31 H 4.1977 8.3128 115.9364 59.2394 28.7213 177.7982 32 L 4.0268 8.3390 120.4324 57.5524 41.1652 179.5171 33 A 4.0149 7.9999 120.0618 55.3785 18.6591 179.4673 34 I 3.7354 7.8089 118.3610 64.3140 36.8900 178.4070 35 L 3.5113 7.8215 120.3931 58.0495 41.9334 178.7957 36 S 4.3101 7.6609 112.9120 60.0063 62.9212 174.5422 37 H 4.8270 7.5186 116.8714 55.0733 29.7892 172.9837 38 T 4.6020 7.3316 108.3884 59.9081 71.7509 173.7747 39 T 4.1466 8.1941 111.9627 63.3888 69.9242 176.9522 40 W 4.4288 7.7025 119.7836 58.8503 27.9155 178.2888 41 F 4.3099 7.1077 121.8977 60.8466 38.7384 175.3033 42 P 3.9259 0.0000 0.0000 65.5393 31.1473 178.3777 43 A 4.0636 8.1494 119.4851 55.1954 17.9803 179.0712 44 Y 4.3487 7.9733 117.3862 60.9029 39.0177 178.1210 45 W 4.3556 7.8234 118.1081 59.7876 29.2520 177.9242 46 Q 4.1471 8.4737 118.9093 58.6682 28.4441 178.0096 47 G 3.5382 9.5317 109.7671 47.6515 0.0000 175.2570 48 G 3.7763 8.9613 113.1176 45.9046 0.0000 173.6016 49 V 4.1204 7.0358 113.0348 60.9000 32.9162 175.2507 50 K 4.7939 8.2149 120.8900 56.4283 39.7296 177.7219 51 K 4.0779 8.2143 128.6936 55.7034 38.6824 177.1057 52 A 3.7539 9.9966 118.6357 51.3356 17.2366 178.1914 53 A 4.1661 8.0492 119.7590 53.0142 19.0779 176.3433 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 2 N 8.42 4.70 0.00 2.84 2.98 0.00 0.00 5.96 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 7.72 4.33 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 4 G 8.86 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 5 K 7.91 4.34 0.00 1.80 1.82 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.41 7.81 6 I 7.58 3.40 1.54 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.69 -0.42 0.00 0.00 7 W 7.77 5.23 0.00 3.34 3.18 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 8 T 7.87 4.21 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 1.28 0.00 0.00 9 V 7.67 4.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.94 0.00 0.00 10 V 7.95 4.13 1.97 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 1.12 0.00 0.00 0.85 0.00 0.00 11 N 8.81 4.71 0.00 2.85 2.77 0.00 0.00 6.96 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 12 P 0.00 4.12 0.00 1.88 1.46 0.00 3.82 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 13 A 8.07 3.96 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 14 I 7.66 4.24 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.11 0.95 0.00 0.00 15 G 8.52 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 0.00 0.00 0.00 0.00 16 I 7.77 3.71 1.81 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.02 0.81 0.00 0.00 17 P 0.00 4.24 0.00 2.16 2.10 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 18 A 8.13 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.93 0.00 1.98 1.95 0.99 0.65 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 20 L 8.13 4.10 0.00 1.75 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.46 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 22 S 8.35 4.15 0.00 4.05 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 23 V 8.02 3.62 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.01 0.00 0.00 24 T 7.86 3.94 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 1.23 0.00 0.00 25 V 8.04 3.63 2.23 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 1.13 0.00 0.00 1.00 0.00 0.00 26 I 8.00 3.69 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.69 0.94 0.00 0.00 27 A 8.12 4.07 1.44 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 0.00 0.00 0.00 28 I 7.96 3.73 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 0.96 0.00 0.00 29 L 8.16 4.01 0.00 1.87 1.74 0.94 0.82 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 30 V 8.16 3.60 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.00 0.00 0.00 31 H 8.31 4.20 0.00 3.58 3.59 0.00 5.87 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 32 L 8.34 4.03 0.00 1.72 1.74 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.00 4.01 1.38 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 0.00 0.00 0.00 34 I 7.81 3.74 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.25 0.63 0.00 0.00 35 L 7.82 3.51 0.00 1.15 1.65 -0.80 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.66 4.31 0.00 4.03 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.52 4.83 0.00 3.16 3.21 0.00 5.60 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.33 4.60 3.27 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 0.85 0.00 0.00 39 T 8.19 4.15 4.27 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 1.21 0.00 0.00 40 W 7.70 4.43 0.00 3.55 3.37 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 41 F 7.11 4.31 0.00 1.94 2.40 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 42 P 0.00 3.93 0.00 2.12 1.98 0.00 3.54 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 43 A 8.15 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.97 4.35 0.00 3.21 3.46 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 0.00 0.00 0.00 0.00 45 W 7.82 4.36 0.00 3.54 3.03 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 0.00 0.00 0.00 46 Q 8.47 4.15 0.00 2.18 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.02 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 47 G 9.53 3.54 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 0.00 48 G 8.96 3.78 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 0.00 0.00 0.00 49 V 7.04 4.12 2.12 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 0.74 0.00 0.00 0.97 0.00 0.00 50 K 8.21 4.79 0.00 1.70 1.56 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.38 7.81 51 K 8.21 4.08 0.00 1.68 0.80 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.42 7.81 52 A 10.00 3.75 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.17 1.20 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 0.00 0.00 0.00