NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4937 0.0000 0.0000 62.6500 33.3615 174.7984 2 I 4.8907 8.3185 122.0062 58.9990 40.2755 173.1086 3 A 4.7267 9.5184 128.9223 50.0420 22.1858 174.1147 4 Q 4.9895 8.7894 123.7761 54.2808 31.3947 174.5439 5 I 4.5092 9.0155 127.3366 59.8445 40.2605 174.0758 6 H 5.7404 9.1091 124.5899 53.6816 29.9110 174.5714 7 I 4.6397 7.9679 115.8210 58.6181 41.3004 174.7918 8 L 4.5915 8.3530 123.3512 54.4958 42.2299 176.9003 9 E 4.1749 8.6764 120.5787 57.1335 29.8199 175.7041 10 G 3.6808 9.1002 111.7569 46.1686 0.0000 175.1961 11 R 4.1456 7.7226 118.3422 55.9789 30.7322 176.8419 12 S 4.5404 8.1906 115.0086 57.7821 65.5868 175.1603 13 D 4.3914 8.4420 120.9693 57.2187 40.4667 178.8898 14 E 3.9498 8.0697 118.8243 59.5787 29.5034 179.1591 15 Q 4.0160 7.9039 117.5230 58.9185 28.7073 179.1673 16 K 3.9580 7.9061 119.2493 59.3442 32.1186 178.9772 17 E 3.9507 8.5263 120.0295 59.7038 29.4954 179.1216 18 T 3.9257 7.9828 115.7991 66.2624 68.4931 176.5894 19 L 3.9133 8.1334 122.6522 58.2609 42.2662 179.0967 20 I 3.6902 8.1177 120.1525 64.2823 37.0350 178.5127 21 R 3.8529 8.0344 119.4117 59.4953 29.9649 178.3371 22 E 3.9587 8.7221 118.7194 59.5673 29.4146 179.6722 23 V 3.5986 7.9557 118.1972 65.8532 31.4496 178.3163 24 S 4.0953 7.9936 114.7527 61.6777 62.6987 176.4778 25 E 3.9298 8.2917 120.9939 59.2506 29.1620 179.2280 26 A 3.9914 8.1862 120.8737 55.2605 18.3945 179.7886 27 I 3.6334 7.9519 118.3678 64.5024 37.2047 178.5296 28 S 4.0698 8.2754 114.1752 61.4919 62.3673 176.5192 29 R 3.9047 8.3789 120.9496 59.4435 29.6480 179.1859 30 S 4.1958 7.9785 113.4160 61.2978 62.8569 175.5113 31 L 4.3013 7.9874 116.9230 53.7874 42.5613 175.5029 32 D 4.3360 7.5555 115.9899 55.5936 39.5654 172.6279 33 A 4.8456 7.8943 120.9252 49.1031 22.5422 174.8599 34 P 4.3273 0.0000 0.0000 62.5284 31.8195 177.4344 35 L 4.0012 8.6849 124.0716 58.1437 42.1311 178.6741 36 T 4.0426 7.8519 107.2293 63.3503 69.0220 175.0500 37 S 4.4378 7.8490 115.6902 58.5569 63.7845 174.0685 38 V 4.2011 7.3013 122.6828 62.5500 32.1619 175.2438 39 R 4.7324 8.7265 126.7266 54.3092 33.1328 174.8697 40 V 4.8513 8.4136 122.6367 61.1060 34.4591 174.3447 41 I 4.5147 9.3487 129.1391 59.5452 39.9496 174.4023 42 I 4.7058 8.3801 127.5460 59.9841 38.9801 175.0423 43 T 4.4667 9.0429 124.9832 61.7405 70.4657 173.6259 44 E 4.7820 8.7606 126.4402 55.9480 31.0007 175.8001 45 M 4.7831 8.8846 123.1656 53.2658 34.8845 175.4969 46 A 4.4478 8.5650 124.8345 51.5951 19.5936 178.6558 47 K 4.0535 9.8235 121.0312 59.2927 32.3289 178.9297 48 G 4.0495 7.9764 105.0950 45.9530 0.0000 173.4618 49 H 4.9932 8.5927 115.6033 55.0420 29.8492 173.4032 50 F 5.1323 8.1817 122.6040 56.1799 41.6584 173.7820 51 G 4.2099 8.1734 115.9469 43.5949 0.0000 171.8717 52 I 4.1145 8.2314 123.2302 60.0651 39.8543 176.1954 53 G 3.8216 9.8039 112.7878 46.4604 0.0000 174.5181 54 G 3.9040 8.6082 107.3420 44.5662 0.0000 173.6223 55 E 4.6927 7.6985 119.9538 53.5181 32.5286 175.0528 56 L 4.4366 8.3049 123.4617 54.7011 42.3574 177.5306 57 A 4.1313 8.9896 126.6896 55.0627 18.6844 177.9381 58 S 4.3252 7.7896 113.8221 58.8647 62.8130 174.1108 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 P 0.00 4.49 0.00 2.13 2.24 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 2 I 8.32 4.89 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.91 0.00 0.00 3 A 9.52 4.73 1.18 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 0.00 0.00 4 Q 8.79 4.99 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.64 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 5 I 9.02 4.51 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.88 0.00 0.00 6 H 9.11 5.74 0.00 2.91 3.08 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.97 4.64 1.81 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 1.29 1.20 0.86 0.00 0.00 8 L 8.35 4.59 0.00 1.52 1.63 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.68 4.17 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 10 G 9.10 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 11 R 7.72 4.15 0.00 1.78 1.87 0.00 3.24 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 12 S 8.19 4.54 0.00 4.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.39 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 3.95 0.00 2.05 1.99 0.00 0.00 0.00 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 2.46 0.00 15 Q 7.90 4.02 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 16 K 7.91 3.96 0.00 1.90 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.76 7.81 17 E 8.53 3.95 0.00 2.24 2.02 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 2.30 2.35 0.00 18 T 7.98 3.93 4.39 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 1.21 0.00 0.00 19 L 8.13 3.91 0.00 1.81 1.87 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.12 3.69 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.11 0.90 0.00 0.00 21 R 8.03 3.85 0.00 1.95 2.12 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.72 3.96 0.00 2.00 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 2.51 2.46 0.00 23 V 7.96 3.60 2.17 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 1.10 0.00 0.00 0.94 0.00 0.00 24 S 7.99 4.10 0.00 4.08 3.89 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 25 E 8.29 3.93 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 26 A 8.19 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 3.63 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.91 0.00 0.00 28 S 8.28 4.07 0.00 3.93 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.38 3.90 0.00 1.88 1.96 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 30 S 7.98 4.20 0.00 4.01 3.93 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 0.00 0.00 0.00 31 L 7.99 4.30 0.00 1.70 1.70 0.92 1.06 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 32 D 7.56 4.34 0.00 2.89 2.69 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 0.00 0.00 0.00 0.00 33 A 7.89 4.85 1.21 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 0.00 0.00 0.00 34 P 0.00 4.33 0.00 2.23 2.20 0.00 3.71 0.00 0.00 3.69 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 35 L 8.68 4.00 0.00 1.74 1.72 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.85 4.04 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 1.21 0.00 0.00 37 S 7.85 4.44 0.00 4.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.30 4.20 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 0.76 0.00 0.00 0.98 0.00 0.00 39 R 8.73 4.73 0.00 1.78 1.77 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 40 V 8.41 4.85 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 9.35 4.51 1.84 0.00 0.00 0.85 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 0.61 0.87 0.00 0.00 42 I 8.38 4.71 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.54 0.87 0.00 0.00 43 T 9.04 4.47 3.82 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 1.16 0.00 0.00 44 E 8.76 4.78 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 45 M 8.88 4.78 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 46 A 8.56 4.45 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 0.00 0.00 0.00 0.00 0.00 47 K 9.82 4.05 0.00 1.89 1.91 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.45 7.81 48 G 7.98 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.59 4.99 0.00 3.26 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.18 5.13 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 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 0.00 0.00 0.00 0.00 52 I 8.23 4.11 1.72 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.13 0.83 0.00 0.00 53 G 9.80 3.82 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 54 G 8.61 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 55 E 7.70 4.69 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 56 L 8.30 4.44 0.00 1.67 1.60 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.99 4.13 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 0.00 0.00 0.00 0.00 0.00 58 S 7.79 4.33 0.00 4.00 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