NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.7493 8.0033 119.0430 56.9455 40.0149 173.6154 3 F 5.0110 8.9102 118.7974 55.7773 41.0735 172.0814 4 E 4.8654 10.1910 123.1092 54.9147 33.2329 173.6557 5 I 5.3366 8.8072 128.0303 60.0605 39.1992 174.4406 6 Y 5.0287 8.8268 124.0339 55.8199 42.2199 173.1597 7 K 4.6887 8.7312 120.1632 54.7844 34.3584 175.6579 8 D 4.8736 8.0769 126.0790 52.2394 41.8806 176.4120 9 A 4.1429 8.4440 120.2658 55.0580 18.6471 178.7993 10 K 4.1068 8.0457 113.0964 56.8171 32.3530 177.9763 11 G 3.8581 7.7539 106.3762 45.1911 0.0000 173.6566 12 E 4.5547 7.9235 119.4048 55.9927 31.4599 174.9962 13 Y 5.0484 9.2055 120.4144 56.7511 40.4166 175.1142 14 R 5.1707 8.7100 119.1520 54.7350 34.0800 173.0885 15 W 6.3000 8.0945 115.5357 54.1423 32.3555 173.7656 16 R 4.9940 8.9076 112.7110 55.5499 31.9483 173.5185 17 L 4.6609 8.9146 124.0453 53.7377 43.3303 175.4617 18 K 4.7558 7.9884 125.9516 55.1407 34.0194 176.4381 19 A 4.7054 7.7706 125.1966 50.1713 20.9873 175.4649 20 A 3.9907 8.1204 117.8950 56.3252 18.8724 179.7322 21 N 4.5871 7.8962 115.2381 54.7800 37.1953 175.2919 22 H 4.1314 7.8516 110.8907 58.2886 26.9733 175.3002 23 E 4.5845 7.5457 118.7713 54.2994 31.7735 176.1958 24 I 4.2517 8.2825 125.3224 61.5440 37.7279 175.4438 25 I 4.2431 8.7454 127.0433 62.9565 37.9092 176.2328 26 A 4.8365 7.8252 121.9814 50.2003 22.7352 174.4814 27 Q 4.3094 8.4581 118.5888 53.6669 31.5327 177.2168 28 G 2.8216 7.1404 114.5930 45.8658 0.0000 172.1058 29 E 4.7088 8.5822 123.7939 54.2256 33.3444 175.9754 30 G 3.7833 8.5143 110.4983 46.6777 0.0000 172.5789 31 Y 4.8123 8.8177 121.4481 56.0068 41.8709 175.7570 32 T 4.5843 8.5989 117.1645 61.6444 67.8524 174.4816 33 S 4.4421 7.7750 109.5003 55.8807 66.0383 176.6877 34 K 3.0746 7.4263 129.7238 59.1935 31.7261 178.6135 35 Q 3.8021 7.6645 119.5356 59.2802 28.9149 177.9998 36 N 4.3481 7.9886 116.9421 56.2568 38.6735 176.8943 37 C 2.8699 7.5921 119.8060 62.0730 31.6703 175.4352 38 Q 3.7969 7.7226 120.8689 59.1770 28.6095 177.6569 39 H 4.0851 7.9415 118.9044 58.8685 29.8850 177.1130 40 A 3.8117 7.4911 122.5186 55.0867 18.2367 179.7526 41 V 2.6315 7.0362 116.1641 65.9291 31.2183 178.0034 42 D 4.1731 7.4265 117.4870 57.1817 40.7356 178.4743 43 L 4.0216 7.5710 119.4585 57.5234 41.7040 179.4785 44 L 3.9167 7.6634 119.2105 57.5825 41.4005 179.5014 45 K 4.2548 7.6540 116.6773 58.7364 32.7815 178.2445 46 S 4.4061 7.3825 114.4949 58.2901 63.6126 173.9775 47 T 4.3552 6.9829 112.6296 61.0283 70.1256 173.4922 48 T 4.6190 7.8640 116.6200 59.6667 70.4876 174.5729 49 A 3.9799 8.5316 125.1304 54.6105 18.3731 178.7751 50 A 4.1216 7.8847 117.5631 54.5717 18.7977 177.9843 51 T 3.9540 7.8621 114.2985 62.6876 68.7129 172.6750 52 P 4.2458 0.0000 0.0000 62.8474 31.7578 176.1544 53 V 4.1040 8.2030 120.1166 61.1098 32.4602 174.5695 54 K 4.3938 8.5880 129.4222 54.5179 32.7428 175.0339 55 E 4.6292 8.6788 124.7958 54.5638 31.2552 175.8634 56 V 4.3544 7.9195 116.7876 59.8758 33.7069 175.0454 57 L 4.3854 7.7555 118.8358 54.8933 42.3257 174.4011 58 E 4.1212 8.9607 118.8848 57.0350 29.3414 177.0756 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 Y 8.00 4.75 0.00 3.13 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 3 F 8.91 5.01 0.00 3.06 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 4 E 10.19 4.87 0.00 2.18 1.93 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 2.40 2.51 0.00 5 I 8.81 5.34 2.00 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 1.54 0.88 1.04 0.00 0.00 6 Y 8.83 5.03 0.00 3.05 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.73 4.69 0.00 1.27 1.58 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.14 1.13 7.81 8 D 8.08 4.87 0.00 2.95 2.84 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 9 A 8.44 4.14 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 10 K 8.05 4.11 0.00 1.87 1.84 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.41 7.81 11 G 7.75 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.92 4.55 0.00 2.01 1.98 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 2.30 2.26 0.00 13 Y 9.21 5.05 0.00 2.90 2.86 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 0.00 0.00 0.00 14 R 8.71 5.17 0.00 1.60 1.99 0.00 2.57 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 15 W 8.09 6.30 0.00 3.59 3.24 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 0.00 16 R 8.91 4.99 0.00 1.89 2.09 0.00 2.97 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.67 0.00 17 L 8.91 4.66 0.00 1.82 1.48 0.72 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.99 4.76 0.00 0.79 1.35 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.18 7.81 19 A 7.77 4.71 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 20 A 8.12 3.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.90 4.59 0.00 2.86 2.93 0.00 0.00 6.27 7.90 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 22 H 7.85 4.13 0.00 3.22 3.36 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.55 4.58 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.23 0.00 24 I 8.28 4.25 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.40 0.87 0.00 0.00 25 I 8.75 4.24 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 0.91 0.00 0.00 26 A 7.83 4.84 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 27 Q 8.46 4.31 0.00 1.74 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 28 G 7.14 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.58 4.71 0.00 1.87 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 30 G 8.51 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 31 Y 8.82 4.81 0.00 3.32 2.87 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 32 T 8.60 4.58 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 1.27 0.00 0.00 33 S 7.77 4.44 0.00 3.87 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 34 K 7.43 3.07 0.00 0.79 1.36 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.20 7.81 35 Q 7.66 3.80 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 36 N 7.99 4.35 0.00 3.00 3.04 0.00 0.00 6.72 7.66 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 37 C 7.59 2.87 0.00 2.77 2.84 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 38 Q 7.72 3.80 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 39 H 7.94 4.09 0.00 3.19 3.36 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.49 3.81 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 41 V 7.04 2.63 1.73 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 -0.20 0.00 0.00 0.27 0.00 0.00 42 D 7.43 4.17 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 4.02 0.00 1.72 1.60 0.75 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.66 3.92 0.00 1.47 1.58 0.36 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.65 4.25 0.00 1.94 1.96 0.00 1.31 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.36 7.81 46 S 7.38 4.41 0.00 3.96 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.98 4.36 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 1.25 0.00 0.00 48 T 7.86 4.62 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 1.23 0.00 0.00 49 A 8.53 3.98 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 50 A 7.88 4.12 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 51 T 7.86 3.95 4.34 0.00 0.00 0.00 0.00 0.00 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 52 P 0.00 4.25 0.00 2.18 2.06 0.00 3.71 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 1.99 1.96 0.00 53 V 8.20 4.10 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 0.84 0.00 0.00 1.00 0.00 0.00 54 K 8.59 4.39 0.00 1.73 1.71 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.47 7.81 55 E 8.68 4.63 0.00 2.10 1.93 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 2.18 2.30 0.00 56 V 7.92 4.35 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 0.77 0.00 0.00 0.94 0.00 0.00 57 L 7.76 4.39 0.00 1.67 1.58 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.96 4.12 0.00 1.98 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 2.32 2.32 0.00