NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3213 8.3044 120.3502 55.0122 33.0770 173.9693 2 K 3.6482 8.7136 119.7364 56.5616 32.2439 176.4639 3 R 4.2833 8.4943 126.1662 55.7834 31.9911 175.9965 4 T 3.9339 8.1722 112.9702 65.1430 67.6307 174.1445 5 F 4.0678 8.2184 123.7920 58.3240 39.5818 174.6624 6 Q 4.2207 7.7184 127.3797 52.7810 29.9526 173.5488 7 P 3.8205 0.0000 0.0000 63.0305 31.6549 176.4412 8 S 4.3364 8.1641 111.4178 57.4991 63.5366 175.9579 9 V 3.6031 8.2621 129.3106 64.6874 30.8420 177.9532 10 L 3.9418 7.5533 120.7873 57.3238 42.1367 178.2193 11 K 3.9835 7.9883 117.4708 59.8592 32.1916 178.5184 12 R 3.9326 7.6746 118.4319 60.1645 29.9254 177.9174 13 N 4.3856 8.1457 115.6308 55.1353 38.7202 175.9138 14 R 5.0332 7.7421 116.4630 55.1070 29.9894 176.3435 15 S 4.6468 7.9958 112.2451 61.0665 69.9165 175.2402 16 H 4.9502 8.4512 113.2677 55.0289 30.4276 176.1605 17 G 4.6101 8.0049 107.6381 45.0171 0.0000 171.9741 18 F 4.6451 8.9179 118.0688 60.0162 41.3676 178.6816 19 R 3.9410 8.5478 117.3597 59.4328 30.2875 178.1162 20 A 4.0258 8.0952 120.0213 55.3749 18.9799 179.1714 21 R 4.3206 7.1178 114.5470 55.5144 28.8527 176.4786 22 M 4.5254 7.6229 112.6952 56.8247 38.2630 175.7391 23 A 4.6331 8.0732 121.8531 51.5852 19.3527 176.4143 24 T 4.5887 7.4312 111.8215 61.4629 70.7129 173.3030 25 K 3.9543 9.0495 129.8500 59.9381 32.6122 178.4326 26 N 4.3111 8.3157 115.5235 56.3992 38.5516 178.2036 27 G 3.8076 8.8509 109.5871 44.6619 0.0000 174.4391 28 R 4.5021 7.6453 118.2305 56.3405 36.9373 176.3588 29 Q 4.0084 7.9667 118.3845 58.8015 28.8864 178.4019 30 V 3.5493 7.7490 119.5658 65.9272 31.3887 177.7135 31 L 3.9809 7.9489 116.5459 57.8864 41.7537 178.9112 32 A 4.1599 7.7988 119.8022 56.1305 18.2290 178.9867 33 R 3.8212 8.3056 115.8672 60.0324 31.1087 177.4372 34 R 4.5806 8.2007 119.2511 54.6314 26.5358 174.5583 35 R 4.5462 7.2467 124.3298 58.1458 37.5551 175.8679 36 A 4.2620 8.4721 118.4041 53.2135 18.6057 177.6978 37 K 4.1563 7.8845 116.3393 56.2661 32.8200 177.5295 38 G 3.9580 8.1944 106.5340 44.6310 0.0000 173.3893 39 R 3.6627 7.6416 118.1460 56.5843 30.3058 175.3812 40 A 4.1931 8.3183 128.6407 55.1404 19.3362 179.0836 41 R 4.2823 7.6777 115.6559 54.8072 28.5482 177.0856 42 L 3.8352 7.7903 123.6839 57.8656 42.6540 178.9326 43 T 4.6841 7.2810 105.1545 61.1397 69.5551 173.3137 44 V 3.3130 7.2743 118.6506 64.1460 30.4983 173.5419 45 S 3.6439 8.1087 107.0332 61.4837 62.6608 174.5223 46 K 4.1831 8.4126 122.2407 55.8456 32.5231 176.1253 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 M 8.30 4.32 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.71 3.65 0.00 1.83 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 R 8.49 4.28 0.00 1.89 1.95 0.00 3.45 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 4 T 8.17 3.93 4.28 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 1.26 0.00 0.00 5 F 8.22 4.07 0.00 3.06 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 6 Q 7.72 4.22 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.66 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 7 P 0.00 3.82 0.00 2.19 2.24 0.00 3.63 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 1.94 2.02 0.00 8 S 8.16 4.34 0.00 3.73 3.66 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 9 V 8.26 3.60 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 0.69 0.00 0.00 0.95 0.00 0.00 10 L 7.55 3.94 0.00 1.66 1.67 0.92 0.59 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 11 K 7.99 3.98 0.00 1.82 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.51 7.81 12 R 7.67 3.93 0.00 1.95 2.17 0.00 3.20 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 13 N 8.15 4.39 0.00 2.97 2.91 0.00 0.00 6.71 8.86 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 14 R 7.74 5.03 0.00 1.91 1.98 0.00 3.06 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 15 S 8.00 4.65 0.00 4.04 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 16 H 8.45 4.95 0.00 3.09 3.29 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.00 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.92 4.65 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.55 3.94 0.00 1.90 2.04 0.00 3.33 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 20 A 8.10 4.03 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 21 R 7.12 4.32 0.00 1.92 1.98 0.00 3.33 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 22 M 7.62 4.53 0.00 1.76 1.98 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 1.45 1.61 0.00 23 A 8.07 4.63 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.43 4.59 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 1.17 0.00 0.00 25 K 9.05 3.95 0.00 1.85 1.80 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.54 7.81 26 N 8.32 4.31 0.00 2.81 2.83 0.00 0.00 6.99 7.60 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 27 G 8.85 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 0.00 0.00 0.00 28 R 7.65 4.50 0.00 2.09 1.88 0.00 3.13 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 29 Q 7.97 4.01 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 30 V 7.75 3.55 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 0.99 0.00 0.00 0.95 0.00 0.00 31 L 7.95 3.98 0.00 1.79 1.76 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.80 4.16 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 33 R 8.31 3.82 0.00 2.13 1.91 0.00 3.17 0.00 0.00 3.45 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 34 R 8.20 4.58 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.47 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 35 R 7.25 4.55 0.00 2.09 2.07 0.00 3.20 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 36 A 8.47 4.26 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.88 4.16 0.00 1.76 1.88 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 38 G 8.19 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 39 R 7.64 3.66 0.00 1.77 1.99 0.00 3.29 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 40 A 8.32 4.19 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 41 R 7.68 4.28 0.00 1.89 1.91 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 42 L 7.79 3.84 0.00 1.64 1.79 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.28 4.68 4.54 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 1.53 0.00 0.00 44 V 7.27 3.31 2.14 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 0.79 0.00 0.00 0.96 0.00 0.00 45 S 8.11 3.64 0.00 3.94 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 4.18 0.00 1.68 1.69 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.44 7.81