NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2756 8.2649 123.5801 50.8461 18.7587 175.9855 7 P 4.1456 0.0000 0.0000 62.2592 31.8727 175.3460 8 D 4.6904 9.4775 123.9400 51.9743 42.1238 176.6118 9 F 3.9005 8.9787 120.1837 62.1501 38.9371 176.4823 10 H 4.6548 7.9653 113.8038 57.8949 28.2800 177.3268 11 D 4.3519 8.3439 121.6442 56.2839 40.8854 177.7787 12 K 4.0824 7.4514 116.5616 57.4527 33.6361 176.9999 13 Y 4.8929 7.4127 116.2245 57.6405 39.6779 177.3248 14 G 3.9829 7.6599 107.2626 48.6221 0.0000 175.2531 15 N 4.4718 8.2288 118.3804 55.5873 38.5440 177.1765 16 A 3.9724 7.9784 121.7390 54.9711 18.6704 179.2178 17 V 3.5457 8.1223 116.4345 66.2132 31.5414 177.8641 18 L 3.9256 8.4198 119.7448 58.6135 41.8340 178.5151 19 A 4.0495 8.1504 120.8428 55.0046 18.2969 179.4287 20 S 4.2039 8.8169 112.2144 61.4932 63.0321 177.1039 21 G 3.6471 8.7174 109.2839 47.6223 0.0000 175.5004 22 A 4.1041 8.4431 124.3694 54.9465 18.1992 179.9367 23 T 3.8390 8.3148 114.5250 66.9122 68.5079 176.8127 24 F 4.3190 8.5918 122.6561 61.4221 39.3206 176.4397 25 C 4.0185 8.3021 118.8765 62.2951 31.6014 175.7581 26 V 3.7290 8.0399 120.6078 65.5387 30.6888 176.8438 27 A 4.2156 8.1207 122.6203 53.1783 18.0978 178.9974 28 V 3.3693 7.5654 115.8155 65.3836 31.7775 179.0152 29 W 3.9520 8.2875 118.4552 59.5933 28.6446 178.7564 30 V 3.6516 7.8590 117.7560 65.9922 30.8145 177.5801 31 Y 3.9929 8.3307 119.5100 60.8762 38.5318 177.1546 32 M 3.9337 7.8784 117.2249 58.8570 32.3584 177.8350 33 A 4.6589 8.4212 120.0455 54.4178 18.5183 178.5160 34 T 4.4337 7.4528 106.2704 63.4570 70.3645 176.0349 35 Q 3.7877 8.1415 118.3048 56.2923 29.0474 175.0348 36 I 4.4721 6.7664 111.9174 58.3661 40.3057 176.4445 37 G 3.6763 8.4613 105.6568 46.3642 0.0000 173.7873 38 I 3.2526 7.2463 121.1221 61.6109 37.2870 175.4036 39 E 4.3843 8.1279 126.1153 54.2735 29.1796 175.3293 40 W 4.1904 8.6466 125.7431 56.9738 30.2257 176.0466 41 N 4.0841 8.1836 116.5413 53.8339 36.8828 170.5739 42 P 4.5619 0.0000 0.0000 62.2297 32.8356 176.3576 43 S 4.3392 8.2992 113.5416 57.2509 63.0657 172.2587 44 P 4.3510 0.0000 0.0000 65.2434 31.4984 176.8604 45 V 3.7351 7.0876 117.5319 63.4729 31.1927 175.4774 46 G 4.1375 9.2259 113.6787 44.7209 0.0000 173.7831 47 R 4.4248 7.6250 113.3169 55.7523 31.3553 176.0340 48 V 4.2163 8.1093 118.5765 61.1391 33.0489 175.0384 49 T 4.3787 8.3013 124.1785 61.1036 68.3346 172.8642 50 P 4.3806 0.0000 0.0000 62.7333 31.8799 176.0331 51 K 4.6483 8.2506 120.3091 54.1111 34.5944 175.7018 52 E 4.0876 8.6734 122.5752 56.2490 29.9569 176.7005 53 W 4.5991 8.4368 121.5429 55.9968 29.5638 175.9326 54 R 3.8699 7.3213 124.1676 56.4089 30.0294 175.0385 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 6 A 8.26 4.28 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 7 P 0.00 4.15 0.00 2.04 1.96 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 8 D 9.48 4.69 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.98 3.90 0.00 3.17 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 10 H 7.97 4.65 0.00 3.42 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.34 4.35 0.00 2.81 2.64 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 12 K 7.45 4.08 0.00 1.18 1.51 0.00 1.03 0.00 0.00 1.12 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.91 0.21 7.81 13 Y 7.41 4.89 0.00 2.44 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.66 3.98 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 0.00 0.00 0.00 15 N 8.23 4.47 0.00 2.83 2.90 0.00 0.00 6.84 7.32 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 16 A 7.98 3.97 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 17 V 8.12 3.55 2.31 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 0.96 0.00 0.00 1.14 0.00 0.00 18 L 8.42 3.93 0.00 1.87 1.69 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.15 4.05 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 20 S 8.82 4.20 0.00 4.04 4.17 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 21 G 8.72 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.44 4.10 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 23 T 8.31 3.84 4.53 0.00 0.00 0.00 0.00 0.00 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 24 F 8.59 4.32 0.00 3.08 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.30 4.02 0.00 3.29 3.11 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 0.00 0.00 0.00 0.00 26 V 8.04 3.73 2.10 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 0.81 0.00 0.00 0.96 0.00 0.00 27 A 8.12 4.22 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.57 3.37 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.39 0.00 0.00 29 W 8.29 3.95 0.00 3.54 3.28 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 30 V 7.86 3.65 2.39 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 1.04 0.00 0.00 0.99 0.00 0.00 31 Y 8.33 3.99 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.88 3.93 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 33 A 8.42 4.66 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 34 T 7.45 4.43 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 1.21 0.00 0.00 35 Q 8.14 3.79 0.00 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 36 I 6.77 4.47 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.66 0.81 0.00 0.00 37 G 8.46 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.25 3.25 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.42 -0.36 0.00 0.00 39 E 8.13 4.38 0.00 1.80 1.77 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 2.17 2.20 0.00 40 W 8.65 4.19 0.00 3.33 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 0.00 41 N 8.18 4.08 0.00 3.00 2.82 0.00 0.00 7.17 7.09 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 42 P 0.00 4.56 0.00 2.24 2.11 0.00 3.89 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 S 8.30 4.34 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.26 2.30 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 45 V 7.09 3.74 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 0.68 0.00 0.00 0.93 0.00 0.00 46 G 9.23 4.14 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 0.00 0.00 0.00 47 R 7.62 4.42 0.00 1.91 2.04 0.00 3.02 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 48 V 8.11 4.22 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 0.83 0.00 0.00 0.94 0.00 0.00 49 T 8.30 4.38 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 1.22 0.00 0.00 50 P 0.00 4.38 0.00 2.23 2.09 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 51 K 8.25 4.65 0.00 1.80 1.79 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.42 7.81 52 E 8.67 4.09 0.00 1.88 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 2.18 2.24 0.00 53 W 8.44 4.60 0.00 3.64 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.32 3.87 0.00 1.79 2.13 0.00 3.24 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.47 0.00