NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1777 8.0244 121.4538 61.2445 38.0009 174.7256 4 K 4.2425 8.4077 125.9903 54.4016 35.0100 169.5367 5 V 4.3709 8.1076 125.2682 60.8356 35.0806 174.0656 6 R 4.5317 7.9834 121.5403 56.1261 32.5237 173.3990 7 E 4.6766 8.4992 123.4273 55.2566 33.5381 174.6130 8 N 4.3868 8.5731 121.7021 53.0434 40.0727 173.1511 9 E 3.3098 8.2933 121.9354 54.7611 25.7613 170.7199 10 P 3.9144 0.0000 0.0000 63.0161 31.2133 176.4107 11 F 4.8835 8.0035 116.3007 55.9787 40.8292 174.5703 12 D 4.7748 8.5877 125.6362 53.3825 39.1665 176.4815 13 V 3.5627 7.0857 119.6202 61.3499 34.1757 180.0239 14 A 4.4490 8.6750 126.3856 51.3346 18.9979 178.2013 15 L 3.2677 9.3062 123.4581 54.7343 42.3869 174.3547 16 R 4.1764 7.7313 116.9562 59.5861 30.2311 178.2691 17 R 4.3478 8.0866 110.9835 57.2014 29.6019 177.5288 18 F 4.1321 8.5536 118.9259 60.9307 39.0643 177.8967 19 K 4.1300 8.0904 116.8158 58.1563 32.3935 177.0530 20 R 4.3448 7.2313 120.6867 55.5861 30.2846 177.1615 21 S 4.7184 6.9258 105.9527 56.1509 63.6251 173.5980 22 C 5.0884 7.6536 119.5659 59.3786 33.2935 174.6747 23 E 4.6663 8.2742 119.9432 55.3344 35.8932 177.1970 24 K 3.5683 9.3054 128.9269 58.2036 32.3358 175.2701 25 A 4.5069 8.4749 119.1836 52.4408 15.7273 175.8317 26 G 4.0204 7.4157 114.0655 45.2989 0.0000 173.1264 27 V 4.2765 7.6888 122.1147 61.7950 31.7455 177.6385 28 L 4.2731 7.4468 117.6740 57.4410 41.7670 178.6127 29 A 3.9692 7.8359 120.5881 54.9425 18.5993 178.5391 30 E 4.0538 8.5667 118.7263 60.1689 29.3696 177.9571 31 V 3.7489 8.2438 117.9815 59.4681 31.5931 181.5503 32 R 3.0346 8.2348 117.6737 57.0703 32.4560 180.1321 33 R 4.1893 8.7232 120.5202 55.5428 31.1037 175.4381 34 R 4.2136 8.2998 117.5325 57.1706 31.3102 176.8890 35 E 4.2863 8.3375 123.5236 56.4337 27.3439 176.7988 36 F 4.3657 7.6061 130.1010 58.3247 48.1100 176.2095 37 Y 3.8532 8.0431 119.7608 58.6054 35.3204 169.9772 38 E 4.4747 9.1707 127.0582 58.2793 32.0209 179.4448 39 K 4.2399 8.3655 121.0255 58.4067 31.8423 176.6591 40 P 3.7915 0.0000 0.0000 64.9276 31.3432 177.9268 41 T 3.3577 7.7906 115.1304 64.4137 67.2636 175.7369 42 T 4.1177 7.5788 111.0693 64.5852 69.2760 176.4509 43 E 4.1607 8.1765 122.1301 57.2287 29.2792 178.1446 44 R 4.0705 8.8040 118.2264 58.0679 30.2513 177.6393 45 K 4.0800 7.7636 116.3018 56.8993 32.6745 177.5513 46 R 4.3215 7.6717 118.3610 57.7275 30.8393 177.5930 47 A 4.0620 7.7426 120.9986 54.5615 18.0690 179.6483 48 K 3.9333 7.4671 116.5712 59.9136 32.8496 179.0229 49 A 4.0941 7.5006 121.2495 54.7821 18.1155 179.3172 50 S 4.3393 7.8899 111.0539 60.7290 63.1348 174.2885 51 A 4.3182 7.4316 126.6320 51.9299 16.5999 175.1500 52 V 4.2029 7.1405 123.8239 62.0739 36.5373 173.5778 53 K 3.9465 7.7398 124.5704 57.1078 33.4063 173.7556 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 8.02 4.18 1.88 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 1.32 1.08 0.93 0.00 0.00 4 K 8.41 4.24 0.00 1.73 1.63 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.55 7.81 5 V 8.11 4.37 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 0.84 0.00 0.00 0.92 0.00 0.00 6 R 7.98 4.53 0.00 1.78 1.76 0.00 3.30 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 7 E 8.50 4.68 0.00 2.11 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 0.00 2.34 2.33 0.00 8 N 8.57 4.39 0.00 2.64 2.68 0.00 0.00 7.09 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 8.29 3.31 0.00 1.80 1.51 0.00 0.00 0.00 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 2.27 0.00 10 P 0.00 3.91 0.00 2.08 2.01 0.00 3.60 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 11 F 8.00 4.88 0.00 2.96 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 12 D 8.59 4.77 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.09 3.56 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.77 0.00 0.00 14 A 8.67 4.45 1.24 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 0.00 0.00 15 L 9.31 3.27 0.00 1.46 1.62 -0.52 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.73 4.18 0.00 1.93 1.99 0.00 3.19 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 17 R 8.09 4.35 0.00 1.95 2.10 0.00 3.02 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 18 F 8.55 4.13 0.00 3.32 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 19 K 8.09 4.13 0.00 1.78 1.90 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.53 7.81 20 R 7.23 4.34 0.00 1.95 1.98 0.00 3.32 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 21 S 6.93 4.72 0.00 3.93 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 22 C 7.65 5.09 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 23 E 8.27 4.67 0.00 2.01 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 2.31 2.34 0.00 24 K 9.31 3.57 0.00 1.87 1.70 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.38 7.81 25 A 8.47 4.51 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 26 G 7.42 4.02 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 0.00 0.00 0.00 27 V 7.69 4.28 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 1.20 0.00 0.00 0.94 0.00 0.00 28 L 7.45 4.27 0.00 1.79 1.70 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.84 3.97 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 8.57 4.05 0.00 2.23 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 0.00 2.38 2.39 0.00 31 V 8.24 3.75 2.24 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 0.86 0.00 0.00 1.00 0.00 0.00 32 R 8.23 3.03 0.00 2.04 1.88 0.00 3.28 0.00 0.00 3.22 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 33 R 8.72 4.19 0.00 1.76 1.78 0.00 3.24 0.00 0.00 3.21 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 34 R 8.30 4.21 0.00 1.86 1.97 0.00 2.70 0.00 0.00 2.90 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 35 E 8.34 4.29 0.00 1.16 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 2.27 2.39 0.00 36 F 7.61 4.37 0.00 2.92 2.77 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 37 Y 8.04 3.85 0.00 3.23 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 9.17 4.47 0.00 2.25 2.29 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 2.37 2.50 0.00 39 K 8.37 4.24 0.00 2.26 2.20 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.44 7.81 40 P 0.00 3.79 0.00 1.93 1.44 0.00 3.90 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 41 T 7.79 3.36 4.23 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 1.36 0.00 0.00 42 T 7.58 4.12 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 1.33 0.00 0.00 43 E 8.18 4.16 0.00 2.23 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 2.35 2.38 0.00 44 R 8.80 4.07 0.00 1.87 1.87 0.00 2.98 0.00 0.00 3.05 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 45 K 7.76 4.08 0.00 1.92 1.83 0.00 1.80 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.48 7.81 46 R 7.67 4.32 0.00 1.86 2.04 0.00 3.36 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 47 A 7.74 4.06 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 48 K 7.47 3.93 0.00 1.85 2.04 0.00 1.49 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.57 7.81 49 A 7.50 4.09 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 50 S 7.89 4.34 0.00 3.89 4.03 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 51 A 7.43 4.32 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 52 V 7.14 4.20 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 0.74 0.00 0.00 0.92 0.00 0.00 53 K 7.74 3.95 0.00 1.74 1.66 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.32 7.81