NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.2164 8.3044 120.3410 55.1693 33.0457 173.6669 1 K 3.4115 7.8832 126.1206 55.7728 31.6875 171.7581 2 A 5.0496 8.5004 129.9268 50.0794 22.9426 174.2193 3 A 4.6623 8.1330 119.8737 50.2700 22.0561 175.0444 4 R 4.8454 8.4567 122.4032 54.1838 32.3906 175.2203 5 L 4.2699 8.8350 129.1689 55.2702 43.1974 177.2242 6 K 4.2812 8.5797 122.2154 55.5247 33.6872 175.8572 7 F 4.9182 7.8926 117.3695 55.8607 42.9476 173.5475 8 D 4.5486 9.2272 124.0188 54.1207 39.2798 175.4486 9 F 4.9279 8.9526 125.9341 56.0343 42.6152 173.3684 10 Q 4.6510 7.3083 125.5446 53.6168 30.9178 174.9706 11 A 4.1745 9.1655 131.2873 52.4336 18.9893 176.8300 12 Q 4.3435 8.5170 120.1938 56.7571 30.3916 176.3291 13 S 4.9008 7.6782 113.2933 55.6911 65.1680 173.1288 14 P 4.2986 0.0000 0.0000 65.4769 31.2658 177.9462 15 K 4.0870 7.9832 118.0947 58.6214 32.8144 176.9397 16 E 4.3246 8.1040 118.1207 55.9765 30.0845 175.0099 17 L 5.0393 7.8562 121.3478 53.6757 44.9155 175.7729 18 T 4.5598 8.5528 122.7735 62.4647 69.5936 174.1806 19 L 4.7033 8.3434 125.0485 54.3396 44.1838 175.5152 20 Q 4.6812 8.7233 123.0586 54.3584 31.4080 174.4395 21 K 3.9834 8.5579 121.4633 58.1784 32.2496 177.5034 22 G 3.9450 8.9231 111.2855 45.2592 0.0000 173.5898 23 D 4.6099 7.6865 120.7724 53.9153 42.0290 175.2119 24 I 4.8521 8.3112 123.2110 59.2961 40.4661 174.7896 25 V 4.4754 8.0751 119.9455 59.8096 36.6464 174.4970 26 Y 4.5767 8.7266 120.4829 56.6701 38.8513 175.2040 27 I 4.1531 7.8305 125.9386 61.2109 38.1856 175.8887 28 H 4.5767 8.4009 124.6632 57.6281 28.9231 175.2888 29 K 4.5847 7.6622 117.5425 54.8032 35.2524 174.8426 30 E 4.4315 8.6517 120.8553 55.2105 29.6685 176.5959 31 V 4.0749 7.9706 125.8083 60.9558 30.2626 175.8798 32 D 4.5500 8.4148 126.6437 54.4188 39.4958 178.7188 33 K 3.7895 7.9485 119.1014 58.6971 32.4786 176.1538 34 N 4.4483 7.6191 118.9369 52.6186 39.9970 173.0665 35 W 5.0429 7.8819 126.5145 56.1000 33.5025 173.4633 36 L 4.2886 8.3936 130.4456 54.2483 43.5527 174.7019 37 E 4.4800 8.1830 125.7198 54.5628 31.4035 174.8819 38 G 4.5666 8.3941 111.9945 44.7468 0.0000 170.5925 39 E 5.3212 8.4926 119.2360 54.7578 33.1822 174.4287 40 H 4.8815 9.9571 125.4501 56.3112 33.2313 172.7889 41 H 4.0941 9.7537 125.3197 57.2395 28.0618 175.6300 42 G 3.9439 8.4258 105.5459 45.0753 0.0000 174.2781 43 R 4.5401 7.9255 119.8530 54.3535 31.8000 174.8418 44 L 5.0507 8.3756 122.3368 54.3906 42.5038 175.9782 45 G 4.1876 9.3134 110.5469 44.4972 0.0000 171.3618 46 I 4.8706 8.3597 125.7929 58.7584 40.8620 174.5358 47 F 5.8490 7.5292 117.6217 55.8938 41.3385 171.3654 48 P 5.0781 0.0000 0.0000 62.3814 31.6999 177.5480 49 A 3.9929 8.8360 125.9607 54.3735 18.5633 177.4441 50 N 4.7165 8.1014 113.3491 53.6908 38.8039 174.2017 51 Y 4.3086 7.8955 115.1526 56.6876 39.2398 175.1651 52 V 4.7711 7.6183 115.4624 60.5955 34.1523 172.6353 53 E 4.8090 7.9128 117.5018 54.3733 31.8532 176.1964 54 V 3.7688 8.5265 124.6127 62.8715 32.0951 176.1026 55 L 4.5984 8.0804 123.2673 54.3475 40.6814 170.5880 56 P 4.2591 0.0000 0.0000 62.9222 31.5671 176.5741 57 L 4.3880 8.0215 123.7659 53.4431 43.2438 177.2708 58 E 4.1677 8.4992 117.9447 57.0786 29.4872 177.0929 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 0 M 8.30 4.22 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 1 K 7.88 3.41 0.00 2.08 1.80 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.56 7.81 2 A 8.50 5.05 1.01 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 0.00 0.00 3 A 8.13 4.66 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 4 R 8.46 4.85 0.00 1.86 1.77 0.00 3.15 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 5 L 8.84 4.27 0.00 1.87 1.48 0.38 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.58 4.28 0.00 1.51 0.74 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.15 1.23 7.81 7 F 7.89 4.92 0.00 2.59 2.74 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 8 D 9.23 4.55 0.00 2.76 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 9 F 8.95 4.93 0.00 2.63 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 10 Q 7.31 4.65 0.00 1.88 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 11 A 9.17 4.17 1.23 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 0.00 0.00 0.00 12 Q 8.52 4.34 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 13 S 7.68 4.90 0.00 4.10 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.05 2.14 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 15 K 7.98 4.09 0.00 1.73 1.82 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.42 7.81 16 E 8.10 4.32 0.00 2.39 1.97 0.00 0.00 0.00 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 2.62 0.00 17 L 7.86 5.04 0.00 1.74 1.56 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.55 4.56 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 1.22 0.00 0.00 19 L 8.34 4.70 0.00 1.83 1.68 0.72 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.72 4.68 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 21 K 8.56 3.98 0.00 1.61 1.67 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.52 7.81 22 G 8.92 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.69 4.61 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.31 4.85 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.49 0.85 0.00 0.00 25 V 8.08 4.48 2.16 0.00 0.00 0.00 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 1.05 0.00 0.00 26 Y 8.73 4.58 0.00 2.97 2.99 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 27 I 7.83 4.15 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.93 0.00 0.00 28 H 8.40 4.58 0.00 3.22 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.66 4.58 0.00 1.89 1.85 0.00 1.58 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.36 7.81 30 E 8.65 4.43 0.00 1.94 1.93 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 2.24 2.33 0.00 31 V 7.97 4.07 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 1.15 0.00 0.00 0.93 0.00 0.00 32 D 8.41 4.55 0.00 2.94 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 3.79 0.00 1.90 2.04 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.63 1.55 7.81 34 N 7.62 4.45 0.00 2.87 3.07 0.00 0.00 6.35 7.54 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 35 W 7.88 5.04 0.00 3.19 2.93 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 36 L 8.39 4.29 0.00 1.60 0.92 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.18 4.48 0.00 1.98 1.73 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 2.17 2.14 0.00 38 G 8.39 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 5.32 0.00 1.98 1.76 0.00 0.00 0.00 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 2.22 0.00 40 H 9.96 4.88 0.00 3.18 3.16 0.00 5.98 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 9.75 4.09 0.00 3.10 3.29 0.00 6.02 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 42 G 8.43 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 43 R 7.93 4.54 0.00 1.96 1.86 0.00 3.28 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 44 L 8.38 5.05 0.00 1.60 1.64 0.87 0.29 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 45 G 9.31 4.19 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 0.00 0.00 0.00 46 I 8.36 4.87 1.13 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.14 -0.26 0.00 0.00 47 F 7.53 5.85 0.00 2.59 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 48 P 0.00 5.08 0.00 2.13 2.07 0.00 3.17 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 49 A 8.84 3.99 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 50 N 8.10 4.72 0.00 2.67 2.79 0.00 0.00 6.69 7.49 0.00 0.00 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 Y 7.90 4.31 0.00 3.01 2.86 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 52 V 7.62 4.77 2.53 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 0.98 0.00 0.00 1.14 0.00 0.00 53 E 7.91 4.81 0.00 1.89 1.91 0.00 0.00 0.00 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 54 V 8.53 3.77 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 0.88 0.00 0.00 0.94 0.00 0.00 55 L 8.08 4.60 0.00 1.59 1.61 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.26 0.00 2.05 2.12 0.00 3.71 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 57 L 8.02 4.39 0.00 1.57 1.61 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.50 4.17 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00