NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2725 8.1133 117.2709 56.2822 30.5049 176.1452 11 T 3.4495 8.3434 111.7041 65.4388 68.3987 174.2693 12 G 3.8338 7.4695 108.2980 47.7821 0.0000 175.2306 13 R 4.0828 7.6955 116.2199 58.4003 29.7781 177.8569 14 F 5.0130 8.5918 118.4941 58.8106 39.4186 176.6386 15 G 3.8543 8.0880 107.6481 46.3093 0.0000 172.5014 16 P 4.6572 0.0000 0.0000 62.9022 31.6163 176.3124 17 R 4.0919 7.3755 117.5138 56.6117 31.4688 175.3215 18 Y 4.1568 8.0278 117.6764 56.9207 36.1172 170.5732 19 G 3.9769 7.9943 103.5292 44.6837 0.0000 172.9319 20 L 3.9794 7.9846 117.2096 57.9002 41.3140 179.7174 21 K 3.8626 7.9898 117.0847 60.0323 31.9364 178.9270 22 I 3.6428 7.8816 119.3497 64.7872 37.1210 178.4075 23 R 4.6070 7.8834 116.5529 58.2188 29.5849 178.8929 24 V 3.6363 8.1414 119.8997 66.0280 31.5665 178.1004 25 R 4.0465 8.0883 117.6461 58.6707 29.9088 179.1199 26 V 3.6097 7.5095 117.9362 65.5506 31.5188 178.0078 27 A 3.9488 7.9942 120.5088 55.2724 18.3300 178.9503 28 D 4.3343 8.0343 117.4034 57.7632 40.9062 179.3758 29 V 3.5534 7.8019 118.0826 66.3450 31.6011 178.0846 30 E 4.1978 8.3041 118.0484 59.0198 29.0128 179.2176 31 I 3.7077 8.2666 118.7083 63.9914 38.5215 177.8107 32 K 4.1678 8.0701 119.3081 59.6542 31.6846 178.4960 33 H 5.2390 8.3656 119.0969 58.7746 29.8874 176.5445 34 K 4.4123 8.3130 116.4245 55.6346 32.4670 177.3524 35 K 4.1619 7.0640 118.9288 55.8292 32.6375 176.8896 36 K 4.1270 8.3173 120.7620 56.8072 32.7354 176.3173 37 H 5.0269 8.5464 119.7569 53.7870 32.2376 173.3045 38 K 4.6137 8.6276 122.1456 55.6649 32.3312 176.4665 39 C 4.2397 9.3900 127.7693 59.2316 31.6317 172.1944 40 P 4.3365 0.0000 0.0000 65.6693 30.5939 177.6478 41 V 3.3164 6.7857 117.3470 65.0284 31.9151 178.4000 42 C 4.5043 7.6348 118.0457 57.6254 31.8236 173.3303 43 G 4.0402 8.4698 106.4357 45.5869 0.0000 173.9049 44 F 3.9074 8.1571 119.5835 56.8560 40.0330 175.7244 45 K 5.2035 7.7657 123.0160 54.8687 29.9881 176.9009 46 K 4.8182 7.6729 115.4360 56.1926 33.9827 177.5526 47 L 5.3031 8.3075 119.8561 53.3754 43.3238 176.8295 48 K 4.9647 9.2136 123.4356 54.1186 36.1894 176.0230 49 R 3.2049 8.6941 123.3809 56.1716 30.4347 176.1694 50 A 4.2979 8.4273 128.5683 52.8807 20.6423 176.9206 51 G 3.7003 6.6815 101.3111 46.1177 0.0000 171.7836 52 T 3.4634 8.4960 118.2694 64.9894 67.8692 174.5607 53 G 4.4642 8.5650 114.6976 46.3519 0.0000 171.0835 54 I 4.7942 7.0804 121.0284 59.2079 38.9781 174.8542 55 W 5.2960 9.3946 126.2696 55.1860 33.2850 174.0737 56 M 4.9562 9.1223 121.4956 54.2333 36.0842 173.0412 57 C 5.7595 8.7569 125.0581 56.9958 32.7748 174.9734 58 G 3.4697 9.0531 115.8730 48.5318 0.0000 173.7728 59 H 4.3065 8.1525 119.7680 58.2524 30.1871 175.4224 60 C 4.3569 8.0795 112.5962 57.5524 30.5705 174.6589 61 G 3.9329 8.9466 109.6980 44.9399 0.0000 173.0382 62 Y 4.2904 7.9737 121.4633 58.2864 39.7616 174.6785 63 K 4.9642 8.3590 127.9668 54.6612 33.9134 174.9613 64 I 4.4678 9.5626 121.1656 58.9071 41.1559 174.1223 65 A 4.9862 8.5070 125.1300 51.0795 19.9438 176.6693 66 G 4.2767 8.4599 110.8400 45.0304 0.0000 171.7207 67 G 4.0633 8.2602 110.1112 45.3542 0.0000 174.2439 68 C 4.0768 8.4862 115.9863 61.9492 28.3229 174.5124 69 Y 5.0906 7.8344 113.4737 57.5697 39.3186 174.7389 70 Q 4.6005 7.9879 118.8881 53.3064 33.2923 174.0909 71 P 2.9700 0.0000 0.0000 64.1704 31.5478 176.1130 72 E 4.8001 7.5281 116.9259 54.2301 32.7096 175.0401 73 T 4.6388 7.9824 112.0354 59.4083 71.3956 175.2049 74 V 3.5618 8.4630 121.8487 66.4786 30.8591 178.2322 75 A 4.2543 8.0157 119.9523 54.7250 18.2717 179.5921 76 G 3.5879 7.8025 103.5939 47.8112 0.0000 175.8201 77 K 4.1358 8.0383 120.1719 59.1954 31.8459 179.1916 78 A 4.1034 7.6869 119.7503 54.9752 17.9492 179.8368 79 V 3.5480 7.2673 115.6421 66.4901 31.7216 176.9558 80 M 4.1039 7.2968 115.4793 58.4481 31.7111 177.8389 81 K 3.8406 7.7751 115.9422 57.3201 32.4147 176.7877 82 A 4.1698 6.9550 129.3894 52.8012 18.0677 177.8009 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 10 R 8.11 4.27 0.00 1.98 2.07 0.00 2.93 0.00 0.00 3.33 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 11 T 8.34 3.45 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 1.31 0.00 0.00 12 G 7.47 3.83 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 0.00 0.00 0.00 13 R 7.70 4.08 0.00 1.91 1.97 0.00 2.90 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.22 0.00 14 F 8.59 5.01 0.00 3.30 3.22 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 0.00 15 G 8.09 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.66 0.00 2.15 2.11 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 17 R 7.38 4.09 0.00 0.67 0.66 0.00 2.85 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.31 0.00 18 Y 8.03 4.16 0.00 3.05 2.95 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 19 G 7.99 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 20 L 7.98 3.98 0.00 1.71 1.68 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.99 3.86 0.00 1.80 1.88 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.56 7.81 22 I 7.88 3.64 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.86 0.80 0.00 0.00 23 R 7.88 4.61 0.00 2.39 2.58 0.00 3.23 0.00 0.00 3.53 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.60 0.00 24 V 8.14 3.64 2.20 0.00 0.00 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 1.00 0.00 0.00 25 R 8.09 4.05 0.00 2.12 1.93 0.00 3.16 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 26 V 7.51 3.61 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 1.07 0.00 0.00 1.14 0.00 0.00 27 A 7.99 3.95 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 28 D 8.03 4.33 0.00 2.98 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 29 V 7.80 3.55 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 0.65 0.00 0.00 0.83 0.00 0.00 30 E 8.30 4.20 0.00 2.14 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 0.00 2.35 2.50 0.00 31 I 8.27 3.71 1.97 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 1.54 0.76 1.01 0.00 0.00 32 K 8.07 4.17 0.00 2.21 1.94 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.48 7.81 33 H 8.37 5.24 0.00 3.49 3.64 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.31 4.41 0.00 1.78 1.86 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 35 K 7.06 4.16 0.00 1.91 1.66 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.66 7.81 36 K 8.32 4.13 0.00 1.70 1.86 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 37 H 8.55 5.03 0.00 3.20 3.04 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.63 4.61 0.00 1.63 1.77 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.42 7.81 39 C 9.39 4.24 0.00 3.10 2.95 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 40 P 0.00 4.34 0.00 2.25 2.16 0.00 4.00 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 2.19 2.12 0.00 41 V 6.79 3.32 1.66 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 0.63 0.00 0.00 -0.61 0.00 0.00 42 C 7.63 4.50 0.00 3.17 3.01 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 43 G 8.47 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.16 3.91 0.00 2.99 3.01 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 45 K 7.77 5.20 0.00 1.57 1.75 0.00 1.62 0.00 0.00 2.29 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.13 7.81 46 K 7.67 4.82 0.00 1.83 1.87 0.00 1.95 0.00 0.00 1.95 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.77 7.81 47 L 8.31 5.30 0.00 1.74 1.81 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.21 4.96 0.00 1.70 1.69 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.42 7.81 49 R 8.69 3.20 0.00 0.95 1.37 0.00 2.95 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.50 0.00 50 A 8.43 4.30 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.68 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.50 3.46 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 53 G 8.57 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.08 4.79 1.67 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 1.16 1.06 0.82 0.00 0.00 55 W 9.39 5.30 0.00 3.19 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 M 9.12 4.96 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 57 C 8.76 5.76 0.00 3.15 2.92 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 58 G 9.05 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 59 H 8.15 4.31 0.00 3.11 3.35 0.00 5.90 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.08 4.36 0.00 3.04 2.97 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 0.00 0.00 0.00 61 G 8.95 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 0.00 0.00 0.00 62 Y 7.97 4.29 0.00 3.06 2.97 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 0.00 0.00 0.00 63 K 8.36 4.96 0.00 1.70 1.54 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.34 7.81 64 I 9.56 4.47 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.13 0.87 0.00 0.00 65 A 8.51 4.99 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 66 G 8.46 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 0.00 0.00 0.00 0.00 67 G 8.26 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.49 4.08 0.00 2.45 1.38 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 69 Y 7.83 5.09 0.00 3.13 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 70 Q 7.99 4.60 0.00 2.08 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 71 P 0.00 2.97 0.00 1.67 1.06 0.00 2.89 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 72 E 7.53 4.80 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 73 T 7.98 4.64 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 1.21 0.00 0.00 74 V 8.46 3.56 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 1.04 0.00 0.00 0.93 0.00 0.00 75 A 8.02 4.25 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 76 G 7.80 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.04 4.14 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.62 7.81 78 A 7.69 4.10 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 79 V 7.27 3.55 2.26 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 0.87 0.00 0.00 0.97 0.00 0.00 80 M 7.30 4.10 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 81 K 7.78 3.84 0.00 1.89 1.68 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.59 7.81 82 A 6.96 4.17 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