NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3753 8.3044 120.3235 55.2244 33.5800 174.6751 2 D 4.5899 8.3396 122.9700 51.7238 43.2107 175.0333 3 S 4.0599 9.4251 122.6801 61.8682 62.8952 175.6335 4 N 4.4139 8.1288 118.4800 56.4914 38.3304 177.4499 5 T 3.9172 7.9460 117.2451 66.7876 68.4885 176.6898 6 M 4.1228 8.0272 120.4827 58.6494 32.0438 179.0018 7 S 4.6856 8.3612 116.9947 61.3224 62.9888 177.0323 8 S 4.1911 8.5606 118.2686 61.4607 62.4644 176.5672 9 F 4.2323 8.3250 123.3631 61.2920 39.2010 177.2035 10 Q 3.9541 8.3497 117.7976 58.9664 28.5644 179.0624 11 V 3.6919 7.9428 119.1241 66.2473 31.5905 177.7718 12 D 4.4670 8.1353 118.5991 57.5206 40.6002 178.6360 13 C 4.0208 8.1518 117.5981 62.7536 28.1167 175.9912 14 F 4.3345 8.4490 122.3510 61.3905 38.9903 177.2698 15 L 3.8740 8.6013 119.0238 57.1768 41.3015 179.2808 16 W 3.8988 8.4231 128.7979 60.5174 30.6440 177.4001 17 H 4.1767 8.4366 118.3053 59.3820 29.2836 177.3081 18 I 3.4315 7.3393 121.4111 64.3220 36.8411 178.6045 19 R 4.0346 7.8156 118.9235 59.0813 29.7704 179.0469 20 K 3.5102 7.6878 119.7307 59.4351 31.8557 179.1380 21 R 4.1076 7.4811 118.5155 58.4710 30.0971 178.5381 22 F 4.1713 8.2981 120.2908 61.2823 39.3883 177.0832 23 A 3.8658 8.3265 120.4919 55.2482 18.1094 179.2726 24 D 4.2951 8.4483 117.7319 57.2656 40.6131 177.8260 25 N 4.7444 7.5051 114.2540 52.5258 38.6829 175.2184 26 G 3.7471 7.7002 108.3743 46.7608 0.0000 174.7498 27 L 4.0674 7.3261 118.1346 53.9427 42.4120 177.2131 28 G 3.7520 7.3145 108.3643 44.7578 0.0000 173.9783 29 D 4.7416 8.3921 122.7163 51.5921 42.6186 177.4324 30 A 4.0418 8.4345 120.4436 55.1382 18.2090 178.0113 31 P 4.2233 0.0000 0.0000 65.4754 31.4500 178.5545 32 F 3.9858 8.6597 119.6066 61.4649 39.3464 177.3064 33 L 4.1686 8.3455 118.4321 57.5222 41.3667 179.0421 34 D 4.3316 8.2903 118.5112 57.3223 41.1916 178.4397 35 R 3.8958 8.1343 118.7776 59.0122 30.1026 178.7350 36 L 3.9355 7.7713 120.0944 58.1926 41.5720 179.1172 37 R 4.0259 8.0304 118.5584 59.5617 30.0918 178.7228 38 R 3.9820 8.1671 117.8902 59.4633 30.0430 178.8306 39 D 4.4221 8.8457 119.0158 57.2617 40.7563 178.6356 40 Q 3.2055 8.1383 120.0786 58.6954 29.0087 178.2758 41 K 3.8829 7.6737 119.6111 59.5991 32.1846 179.0038 42 S 4.1241 8.0730 115.4359 61.6361 62.6599 176.7018 43 L 4.1604 8.2508 122.0659 57.7866 41.2977 179.7466 44 K 4.0821 8.1534 118.6811 59.2008 31.9371 179.7176 45 G 3.5236 8.0549 106.0021 47.8971 0.0000 176.0022 46 R 3.9394 8.3360 121.4923 58.7237 29.9858 179.4653 47 G 3.1376 8.2631 105.7792 47.5443 0.0000 175.2257 48 N 4.2268 8.0292 119.6703 56.6377 38.7401 177.0498 49 T 3.8372 7.5893 115.7977 66.6811 68.7111 176.3030 50 L 4.1374 7.8046 118.6347 54.8738 41.7649 177.5631 51 G 3.8022 7.4343 105.3717 46.3328 0.0000 173.0689 52 L 4.6616 7.6766 119.4283 52.2841 43.7612 176.6591 53 D 4.5686 8.5607 122.7947 53.8378 42.7093 176.9691 54 I 3.7537 8.4751 127.7727 64.5794 37.1141 178.2993 55 E 3.9877 8.2294 118.8124 59.7744 29.3982 179.4554 56 T 3.8630 8.5488 115.6327 66.6321 68.5096 176.6401 57 A 4.0657 8.2971 122.8270 55.4252 18.3837 179.7688 58 T 3.9026 8.2598 114.5642 66.9333 68.1142 176.8813 59 L 3.9917 7.7487 120.8038 57.6662 41.6158 179.8185 60 V 3.6536 8.0359 118.4660 65.8831 31.4113 178.2684 61 G 3.6934 8.4762 105.9764 47.5824 0.0000 175.4588 62 K 2.0000 7.7198 121.6712 58.9193 32.1456 178.9901 63 Q 3.9442 7.5154 117.5785 58.7473 28.4691 178.7724 64 I 3.7238 7.7166 120.8674 64.4542 37.1826 178.5309 65 V 3.6835 7.9704 119.2001 66.2431 31.1370 177.9006 66 E 3.9844 8.2619 118.2522 59.1394 29.0450 179.1954 67 W 4.1660 8.1800 127.5777 60.3439 30.6109 177.8109 68 I 3.6106 8.3346 120.1954 64.3914 36.4848 178.0238 69 L 3.9674 7.8445 116.5441 56.0874 41.6762 178.9848 70 K 4.1557 7.5820 121.1077 59.6075 32.0378 177.3062 71 E 4.0437 7.2787 118.8381 55.9841 29.6245 179.7035 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 M 8.30 4.38 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 2 D 8.34 4.59 0.00 2.85 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.43 4.06 0.00 3.91 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 4 N 8.13 4.41 0.00 3.01 2.87 0.00 0.00 7.08 7.05 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 5 T 7.95 3.92 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 6 M 8.03 4.12 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 7 S 8.36 4.69 0.00 3.86 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 8 S 8.56 4.19 0.00 4.09 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 9 F 8.32 4.23 0.00 3.22 3.27 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 0.00 10 Q 8.35 3.95 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 11 V 7.94 3.69 2.14 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 1.05 0.00 0.00 1.03 0.00 0.00 12 D 8.14 4.47 0.00 2.84 2.70 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 13 C 8.15 4.02 0.00 2.86 2.85 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 14 F 8.45 4.33 0.00 3.27 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 15 L 8.60 3.87 0.00 1.70 1.67 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.42 3.90 0.00 3.47 3.35 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 0.00 0.00 0.00 0.00 17 H 8.44 4.18 0.00 3.45 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.34 3.43 1.74 0.00 0.00 0.60 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 0.02 0.79 0.00 0.00 19 R 7.82 4.03 0.00 1.60 1.73 0.00 2.56 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 20 K 7.69 3.51 0.00 0.79 1.43 0.00 1.36 0.00 0.00 1.32 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.32 1.37 7.81 21 R 7.48 4.11 0.00 1.85 1.91 0.00 3.31 0.00 0.00 3.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.38 0.00 22 F 8.30 4.17 0.00 3.02 3.20 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 0.00 0.00 0.00 0.00 23 A 8.33 3.87 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.45 4.30 0.00 2.80 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 25 N 7.51 4.74 0.00 2.60 2.68 0.00 0.00 7.01 8.99 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 26 G 7.70 3.75 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 0.00 0.00 0.00 27 L 7.33 4.07 0.00 0.27 1.00 0.56 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.31 3.75 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 0.00 0.00 0.00 29 D 8.39 4.74 0.00 2.91 2.85 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 30 A 8.43 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.24 2.15 0.00 4.07 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 32 F 8.66 3.99 0.00 3.34 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.35 4.17 0.00 1.96 1.77 1.02 0.91 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 34 D 8.29 4.33 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.13 3.90 0.00 1.83 1.82 0.00 3.12 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 36 L 7.77 3.94 0.00 1.62 1.84 0.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.03 4.03 0.00 2.01 2.09 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 38 R 8.17 3.98 0.00 1.99 1.97 0.00 3.19 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 39 D 8.85 4.42 0.00 2.92 2.85 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 40 Q 8.14 3.21 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.07 1.56 0.00 41 K 7.67 3.88 0.00 1.88 1.93 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 42 S 8.07 4.12 0.00 4.05 3.91 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 43 L 8.25 4.16 0.00 1.56 1.64 0.73 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.15 4.08 0.00 1.93 1.82 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.45 7.81 45 G 8.05 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.34 3.94 0.00 2.14 1.87 0.00 3.20 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 47 G 8.26 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 0.00 0.00 0.00 48 N 8.03 4.23 0.00 2.82 2.93 0.00 0.00 7.26 7.37 0.00 0.00 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 T 7.59 3.84 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 1.14 0.00 0.00 50 L 7.80 4.14 0.00 1.23 1.51 0.53 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.43 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 52 L 7.68 4.66 0.00 1.49 1.72 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.56 4.57 0.00 2.81 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 54 I 8.48 3.75 1.87 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 1.79 0.69 0.81 0.00 0.00 55 E 8.23 3.99 0.00 2.22 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 2.43 2.42 0.00 56 T 8.55 3.86 4.42 0.00 0.00 0.00 0.00 0.00 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 57 A 8.30 4.07 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 58 T 8.26 3.90 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 59 L 7.75 3.99 0.00 1.79 1.70 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.04 3.65 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 1.06 0.00 0.00 1.00 0.00 0.00 61 G 8.48 3.69 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 0.00 0.00 0.00 62 K 7.72 2.00 0.00 1.32 1.70 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.15 0.96 7.81 63 Q 7.52 3.94 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 64 I 7.72 3.72 2.02 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 1.35 0.89 1.01 0.00 0.00 65 V 7.97 3.68 2.15 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 1.34 0.00 0.00 1.18 0.00 0.00 66 E 8.26 3.98 0.00 2.12 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 0.00 2.35 2.36 0.00 67 W 8.18 4.17 0.00 3.30 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 68 I 8.33 3.61 2.10 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.10 0.92 0.00 0.00 69 L 7.84 3.97 0.00 1.62 1.71 0.98 0.84 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 70 K 7.58 4.16 0.00 1.67 1.79 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.80 7.81 71 E 7.28 4.04 0.00 1.92 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 2.26 2.12 0.00