NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2846 8.1593 117.3731 62.9117 69.9521 173.0775 2 P 4.5779 0.0000 0.0000 61.2715 33.6394 173.4289 3 D 4.1746 8.7192 120.2898 56.2012 41.7022 176.3555 4 C 4.6887 9.4972 120.1610 56.0944 46.7554 175.0474 5 V 4.4966 8.3577 114.8956 60.5390 35.2121 176.7193 6 T 4.8794 8.0771 117.0159 61.3481 72.4017 174.3260 7 G 3.8283 7.8525 112.7953 45.9525 0.0000 171.9969 8 K 4.6038 8.1893 118.8625 55.3892 33.0701 177.0376 9 V 3.8477 8.0117 120.3414 62.0460 31.0628 175.2661 10 E 4.2412 8.9516 130.0646 58.5994 29.7709 176.1865 11 Y 4.8904 6.7754 114.8048 56.5013 40.8774 172.4070 12 T 5.0938 8.7423 109.8053 59.8594 72.4444 173.2422 13 K 4.4256 8.1844 123.3575 55.0003 35.5024 174.2586 14 Y 4.5958 8.6939 129.1765 56.9937 39.9858 174.6978 15 N 4.7716 7.9661 124.0149 51.3846 40.8653 175.6481 16 D 4.3472 8.4640 118.7069 57.4647 41.3271 176.2632 17 D 4.6288 7.9008 116.1418 53.3451 39.3393 176.2663 18 D 4.1352 7.6898 116.5063 55.4748 39.0813 173.8112 19 T 4.5585 7.3285 111.1158 60.6381 71.6584 173.0190 20 F 5.2453 8.9824 123.2259 56.6819 42.5048 173.6380 21 T 5.2138 8.1746 121.8907 61.7813 71.0923 173.3160 22 V 4.5752 8.8423 125.0305 61.0275 35.1055 174.3287 23 K 4.4571 8.2783 129.0068 53.9590 32.7616 174.0271 24 V 4.2207 8.2020 126.2373 62.8208 31.5470 175.2551 25 G 4.0196 8.9151 118.2973 44.9054 0.0000 173.2891 26 D 4.6536 8.4170 121.4054 53.5347 40.1816 177.0041 27 K 4.4942 7.5945 119.6627 56.2801 34.2611 176.0021 28 E 4.6277 8.5641 122.7745 55.3282 31.7104 173.9117 29 L 5.2146 8.4003 127.0952 53.0855 45.5013 174.7042 30 F 5.4665 8.4751 113.5585 56.6049 41.8400 173.1343 31 T 4.5776 9.4823 113.3047 60.1659 70.9570 173.4550 32 N 4.8891 8.6725 122.1541 52.5734 37.4862 174.1086 33 R 4.5815 7.6719 118.8737 54.9519 31.2121 177.6411 34 W 4.4860 8.8587 123.1143 59.9359 28.7997 178.2538 35 N 4.5342 8.3318 115.5801 55.6656 37.9704 177.1458 36 L 4.1116 7.7929 120.0074 57.4337 41.6573 178.9300 37 Q 2.8402 7.4969 117.3957 58.9388 28.4885 180.1298 38 S 4.0636 7.8344 115.0248 61.5651 62.9837 176.2932 39 L 3.8814 7.3132 121.4098 58.1362 41.4156 179.8060 40 L 4.2514 8.5402 118.9426 57.8414 41.5438 179.4049 41 L 4.1423 7.8611 120.4239 58.0947 41.9634 179.2430 42 S 4.1608 8.0547 115.0243 61.2301 62.7401 176.1560 43 A 4.0692 8.2304 123.6877 55.4448 17.9942 179.3390 44 Q 3.9015 8.3477 117.8307 59.2806 28.9995 178.0392 45 I 3.7359 7.9604 120.6846 64.8330 37.2473 177.6142 46 T 4.0591 8.2042 107.9090 62.6136 69.1035 175.5941 47 G 3.9306 7.9029 110.7263 45.5649 0.0000 173.3167 48 M 4.4201 7.5735 118.4326 55.4198 33.2592 175.7262 49 T 4.7206 8.6155 116.8678 62.1941 70.7824 174.5221 50 V 4.8545 8.7353 119.6282 59.8428 35.8622 174.8814 51 T 4.8437 8.4142 119.5691 61.9069 71.2332 173.4453 52 I 4.1155 8.3415 128.0435 60.2426 39.0066 175.1654 53 K 4.9130 7.6331 124.9126 55.1821 34.2747 175.5130 54 T 4.2174 7.9288 117.6459 61.9597 70.5587 172.8331 55 N 4.5666 9.0661 122.1973 54.6838 39.4136 175.2725 56 A 4.4234 8.0319 122.3543 52.5969 19.2270 177.3662 57 C 5.0624 7.9744 118.8959 57.1949 40.5033 170.8083 58 H 4.7454 7.2334 117.8519 54.0906 31.2540 173.5345 59 N 4.5854 8.7113 117.3599 55.0496 38.5667 176.0592 60 G 4.0751 9.3499 110.2798 45.6463 0.0000 174.1777 61 G 4.0964 7.7189 107.9714 45.7052 0.0000 173.6446 62 G 3.7050 8.1549 109.0319 44.5133 0.0000 172.6444 63 F 5.0999 7.6092 113.7920 55.9456 40.7304 174.5674 64 S 4.6717 8.8908 113.2945 58.0478 65.5864 173.5616 65 E 4.9134 8.1959 120.0521 54.6599 33.1364 174.8774 66 V 4.5748 8.2128 121.3007 61.5139 35.2155 173.6337 67 I 4.4664 8.0117 125.5860 59.5016 40.4258 174.2800 68 F 4.9607 8.9186 125.9703 55.8662 40.6436 175.9033 69 R 4.2983 8.9320 123.8438 56.4518 30.3784 174.8322 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 T 8.16 4.28 4.23 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 1.22 0.00 0.00 2 P 0.00 4.58 0.00 2.17 2.16 0.00 3.68 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 2.01 2.05 0.00 3 D 8.72 4.17 0.00 2.53 2.59 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 4 C 9.50 4.69 0.00 3.00 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 5 V 8.36 4.50 2.01 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 0.61 0.00 0.00 0.93 0.00 0.00 6 T 8.08 4.88 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 1.17 0.00 0.00 7 G 7.85 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 8 K 8.19 4.60 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 9 V 8.01 3.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 10 E 8.95 4.24 0.00 2.00 1.72 0.00 0.00 0.00 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 2.28 0.00 11 Y 6.78 4.89 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.74 5.09 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 1.44 0.00 0.00 13 K 8.18 4.43 0.00 1.86 1.56 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.34 7.81 14 Y 8.69 4.60 0.00 3.14 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 15 N 7.97 4.77 0.00 2.77 2.61 0.00 0.00 6.30 8.20 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 16 D 8.46 4.35 0.00 2.62 2.66 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 17 D 7.90 4.63 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.69 4.14 0.00 3.02 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.33 4.56 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 1.30 0.00 0.00 20 F 8.98 5.25 0.00 3.15 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 21 T 8.17 5.21 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 1.33 0.00 0.00 22 V 8.84 4.58 2.06 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 0.97 0.00 0.00 1.25 0.00 0.00 23 K 8.28 4.46 0.00 1.39 0.74 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.19 1.01 7.81 24 V 8.20 4.22 1.94 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 0.77 0.00 0.00 0.75 0.00 0.00 25 G 8.92 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.42 4.65 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.59 4.49 0.00 1.73 1.72 0.00 1.52 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.48 7.81 28 E 8.56 4.63 0.00 2.01 1.82 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 2.36 2.39 0.00 29 L 8.40 5.21 0.00 1.82 1.86 0.83 0.75 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 30 F 8.48 5.47 0.00 3.26 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 31 T 9.48 4.58 2.78 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 0.00 0.00 1.03 0.00 0.00 32 N 8.67 4.89 0.00 2.89 2.99 0.00 0.00 6.01 7.66 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 33 R 7.67 4.58 0.00 1.85 1.92 0.00 3.27 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 34 W 8.86 4.49 0.00 3.40 3.14 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 0.00 0.00 0.00 0.00 35 N 8.33 4.53 0.00 2.79 2.92 0.00 0.00 7.18 6.74 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 36 L 7.79 4.11 0.00 1.95 1.84 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.50 2.84 0.00 2.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 1.40 2.23 0.00 38 S 7.83 4.06 0.00 3.82 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 39 L 7.31 3.88 0.00 1.85 1.70 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.54 4.25 0.00 1.85 2.02 1.34 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.86 4.14 0.00 1.86 1.71 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.05 4.16 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 43 A 8.23 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.35 3.90 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.61 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 45 I 7.96 3.74 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.93 0.00 0.00 46 T 8.20 4.06 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 1.25 0.00 0.00 47 G 7.90 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 48 M 7.57 4.42 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 49 T 8.62 4.72 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 1.19 0.00 0.00 50 V 8.74 4.85 1.79 0.00 0.00 0.00 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 0.88 0.00 0.00 51 T 8.41 4.84 4.13 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 1.12 0.00 0.00 52 I 8.34 4.12 1.56 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.27 0.08 0.00 0.00 53 K 7.63 4.91 0.00 1.51 1.72 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.25 7.81 54 T 7.93 4.22 4.27 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 1.17 0.00 0.00 55 N 9.07 4.57 0.00 2.73 2.86 0.00 0.00 6.92 7.35 0.00 0.00 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 A 8.03 4.42 1.22 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 0.00 0.00 57 C 7.97 5.06 0.00 3.12 3.05 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 58 H 7.23 4.75 0.00 3.38 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.71 4.59 0.00 2.77 2.87 0.00 0.00 6.91 7.65 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 60 G 9.35 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.72 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.15 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.61 5.10 0.00 2.90 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 64 S 8.89 4.67 0.00 3.82 3.84 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 0.00 0.00 0.00 65 E 8.20 4.91 0.00 2.05 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 2.30 2.28 0.00 66 V 8.21 4.57 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 0.06 0.00 0.00 0.91 0.00 0.00 67 I 8.01 4.47 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.54 0.88 0.00 0.00 68 F 8.92 4.96 0.00 2.91 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 69 R 8.93 4.30 0.00 1.85 1.71 0.00 3.12 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00