NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5505 0.0000 0.0000 62.6227 33.6456 174.7429 2 M 5.3580 8.6323 120.6530 53.3419 35.2127 173.4711 3 I 4.8541 9.1784 124.7809 59.4677 41.1060 174.4744 4 S 5.3204 8.8556 119.7230 56.7305 66.5030 172.9652 5 C 4.7910 8.9127 121.1701 57.9944 34.4483 172.2694 6 D 5.4830 8.8635 126.9429 53.6374 41.7309 175.7567 7 M 4.3048 8.8387 119.6486 53.8078 35.1274 174.2649 8 R 4.2631 7.4882 118.3088 55.9077 30.8627 176.4556 9 Y 4.3591 7.9354 120.1690 59.6019 38.2374 176.1082 10 G 3.8806 9.2225 109.8364 45.7788 0.0000 174.8413 11 R 4.2109 7.6321 119.8790 56.0115 30.9253 177.0684 12 T 4.3132 9.0217 113.1125 61.1383 71.1757 175.6899 13 D 4.3680 8.5595 121.1228 57.6955 40.7782 178.8313 14 E 3.9778 8.1207 119.2191 59.1626 29.7274 178.5729 15 Q 4.0057 7.9643 117.8603 59.0188 28.7241 179.0720 16 K 4.0646 8.0793 119.4127 59.4907 32.0316 179.6978 17 R 3.9424 8.2936 118.3049 58.9973 29.9127 178.9682 18 A 3.9716 8.2390 120.8656 54.9105 18.3561 179.4253 19 L 3.8454 8.0583 119.1144 58.3597 42.1505 179.4015 20 S 3.7744 8.3955 114.1649 61.2645 62.9308 176.2741 21 A 4.0262 8.1028 124.5940 54.7097 18.1273 179.8801 22 G 3.4663 7.9746 104.2191 47.9702 0.0000 176.0454 23 L 3.8764 7.8233 121.9340 57.2880 41.5335 179.5948 24 L 3.8670 8.0014 119.3188 57.5430 41.4137 179.5648 25 R 3.8201 7.9346 118.5863 59.6654 30.2337 179.0829 26 V 3.5904 7.7949 112.1426 64.3969 31.4956 178.7727 27 I 3.7187 7.9594 119.8344 64.1660 36.9389 178.2923 28 S 4.3187 8.2838 115.7541 60.9022 62.0114 175.9143 29 E 3.9184 8.1398 119.7689 59.6386 29.3246 179.0529 30 A 4.1709 7.7680 119.1628 54.5608 18.6639 178.9375 31 T 4.2774 8.0644 106.7225 61.6357 69.7255 176.2536 32 G 3.9378 8.0981 109.0086 45.1419 0.0000 173.1545 33 E 4.3566 7.8914 120.0980 54.4818 30.6554 174.5986 34 P 4.4397 0.0000 0.0000 62.2762 32.4842 177.6591 35 R 3.9911 8.5511 116.4051 59.1651 29.4593 178.6105 36 E 4.0761 8.1875 117.0338 58.6938 29.5860 177.0410 37 N 4.7556 8.3110 115.2314 52.9476 38.6058 175.0137 38 I 4.6152 7.3600 120.1250 59.3986 38.3384 174.8277 39 F 4.5485 9.1280 130.3425 57.7715 40.7335 173.8471 40 F 5.4917 7.6386 126.7603 56.2733 42.3974 173.9260 41 V 3.9597 8.2461 124.7500 59.7176 34.3095 174.2980 42 I 4.3921 7.7485 125.0760 59.8012 38.8373 175.0678 43 R 4.5257 9.0311 126.2256 54.5288 32.2882 174.9203 44 E 5.4240 8.0646 123.2079 54.2022 32.2270 175.1968 45 G 4.2490 7.8550 107.6387 44.9987 0.0000 172.4307 46 S 4.9542 9.0406 115.8833 58.0882 63.8295 176.0698 47 G 3.8023 9.4807 111.9906 48.9477 0.0000 176.0829 48 I 3.8627 7.8481 118.6669 63.5231 38.0849 176.0993 49 N 4.5782 8.2093 115.6835 54.0027 38.7851 174.6331 50 F 4.5582 8.5597 118.6906 55.3083 41.3730 174.2400 51 V 4.7859 8.4118 125.0437 61.0118 33.1407 174.4381 52 E 4.6811 8.8816 126.7282 56.1579 32.7724 175.6275 53 H 3.9591 9.9346 119.9290 56.9475 26.4696 175.4580 54 G 3.9876 8.5495 103.2512 46.0484 0.0000 173.8843 55 E 4.7883 7.9736 118.2107 54.0837 33.0695 174.9452 56 H 4.8445 8.8094 119.6384 56.0532 29.3893 175.2176 57 L 4.6056 8.6264 123.0639 53.5274 42.7183 175.0448 58 P 4.6922 0.0000 0.0000 61.9563 32.7306 175.6376 59 D 4.4609 8.6063 119.8466 54.6995 41.1361 176.8498 60 Y 4.1424 8.3999 123.6140 56.9754 37.4751 174.2529 61 V 3.8488 7.8525 126.5187 60.9458 32.0263 174.1673 62 P 4.4004 0.0000 0.0000 62.8398 31.4526 175.4205 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 4.55 0.00 2.12 2.06 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 2 M 8.63 5.36 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.77 0.00 3 I 9.18 4.85 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.89 0.88 0.00 0.00 4 S 8.86 5.32 0.00 3.84 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 5 C 8.91 4.79 0.00 3.27 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 6 D 8.86 5.48 0.00 2.72 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 M 8.84 4.30 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 8 R 7.49 4.26 0.00 1.42 1.83 0.00 3.32 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.00 9 Y 7.94 4.36 0.00 2.96 2.90 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 10 G 9.22 3.88 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 0.00 0.00 0.00 11 R 7.63 4.21 0.00 1.68 1.80 0.00 2.44 0.00 0.00 2.86 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 12 T 9.02 4.31 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 1.25 0.00 0.00 13 D 8.56 4.37 0.00 2.75 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 14 E 8.12 3.98 0.00 2.08 1.95 0.00 0.00 0.00 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 2.46 0.00 15 Q 7.96 4.01 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 16 K 8.08 4.06 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.65 7.81 17 R 8.29 3.94 0.00 2.03 1.99 0.00 3.31 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 18 A 8.24 3.97 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 19 L 8.06 3.85 0.00 1.87 1.93 0.88 0.88 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 20 S 8.40 3.77 0.00 4.17 4.38 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 4.03 1.34 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 0.00 0.00 0.00 22 G 7.97 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 3.88 0.00 1.17 1.35 0.36 0.35 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 24 L 8.00 3.87 0.00 1.78 1.66 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.93 3.82 0.00 1.93 2.04 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 26 V 7.79 3.59 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.96 0.00 0.00 27 I 7.96 3.72 1.89 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 1.45 1.08 0.89 0.00 0.00 28 S 8.28 4.32 0.00 3.92 3.99 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 0.00 0.00 0.00 29 E 8.14 3.92 0.00 2.11 2.00 0.00 0.00 0.00 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 2.53 0.00 30 A 7.77 4.17 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 31 T 8.06 4.28 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 32 G 8.10 3.94 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 0.00 0.00 0.00 33 E 7.89 4.36 0.00 2.05 1.88 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 2.31 2.39 0.00 34 P 0.00 4.44 0.00 2.39 2.18 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 35 R 8.55 3.99 0.00 2.00 2.23 0.00 2.96 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 36 E 8.19 4.08 0.00 1.98 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 2.33 2.41 0.00 37 N 8.31 4.76 0.00 2.81 2.85 0.00 0.00 6.80 7.00 0.00 0.00 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 7.36 4.62 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 1.13 0.76 0.90 0.00 0.00 39 F 9.13 4.55 0.00 3.24 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 40 F 7.64 5.49 0.00 2.67 2.65 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 41 V 8.25 3.96 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 0.69 0.00 0.00 0.86 0.00 0.00 42 I 7.75 4.39 1.60 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 1.06 -0.36 0.77 0.00 0.00 43 R 9.03 4.53 0.00 1.78 1.78 0.00 3.08 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 44 E 8.06 5.42 0.00 1.22 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 1.97 1.94 0.00 45 G 7.85 4.25 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 0.00 46 S 9.04 4.95 0.00 4.05 3.94 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 47 G 9.48 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.85 3.86 1.94 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 1.43 0.78 0.98 0.00 0.00 49 N 8.21 4.58 0.00 3.06 2.57 0.00 0.00 6.78 7.46 0.00 0.00 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 F 8.56 4.56 0.00 3.26 2.96 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 51 V 8.41 4.79 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 0.82 0.00 0.00 0.60 0.00 0.00 52 E 8.88 4.68 0.00 2.03 1.86 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 2.31 2.47 0.00 53 H 9.93 3.96 0.00 3.27 3.39 0.00 5.80 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 54 G 8.55 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.97 4.79 0.00 2.04 1.84 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 2.24 2.45 0.00 56 H 8.81 4.84 0.00 3.07 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.63 4.61 0.00 1.83 1.64 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.69 0.00 2.09 2.08 0.00 3.81 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 2.00 2.01 0.00 59 D 8.61 4.46 0.00 2.71 2.73 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 0.00 0.00 0.00 0.00 60 Y 8.40 4.14 0.00 2.86 3.12 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 61 V 7.85 3.85 1.96 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 0.80 0.00 0.00 0.94 0.00 0.00 62 P 0.00 4.40 0.00 2.20 1.94 0.00 3.18 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00