NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4059 0.0000 0.0000 62.8473 33.2921 174.5432 2 M 4.9291 8.4561 120.1491 52.7873 35.4487 172.8109 3 L 4.8257 9.5366 128.1553 53.4298 45.5189 174.1783 4 E 5.0642 8.9661 125.7797 54.6915 31.6449 175.4615 5 V 4.3952 8.4926 124.0611 61.0048 34.4253 173.9927 6 F 5.1752 8.9524 126.1996 55.9059 41.0174 174.0568 7 Y 4.8375 9.0498 125.1025 55.8061 41.9724 174.2446 8 S 4.3287 6.6242 119.1068 55.9131 65.6087 173.0445 9 G 4.0440 8.0656 113.7052 45.4721 0.0000 172.7773 10 D 4.5214 8.8416 118.5013 55.3247 39.7002 176.7745 11 R 4.5511 7.6476 118.1348 52.9723 30.5258 173.0471 12 P 4.2996 0.0000 0.0000 61.3879 32.4505 175.1714 13 P 4.4121 0.0000 0.0000 62.0195 32.5831 176.3172 14 D 4.6537 8.2312 120.6203 52.7244 41.8423 177.4675 15 R 3.9173 8.4447 118.1307 59.8330 29.9256 179.2105 16 T 3.8464 7.8602 112.2811 65.0384 67.4352 176.1073 17 R 3.9073 8.5399 120.9113 59.4007 30.0001 178.7236 18 K 4.0906 7.9910 117.9313 59.5572 32.0508 179.3904 19 Q 4.0180 8.4699 118.1820 58.5247 28.6263 178.3839 20 A 4.0388 8.2342 122.2455 55.0420 18.3244 179.4590 21 F 4.1862 8.3092 119.1476 61.1477 39.4447 177.4296 22 A 3.7494 8.3045 120.5901 54.9801 18.2279 179.4200 23 A 3.8844 7.9260 119.3466 55.3109 18.3846 179.4366 24 E 3.7962 8.1306 117.5760 59.3154 29.6522 178.9180 25 A 3.7785 7.7080 120.9096 54.9706 18.3831 179.5408 26 S 4.0418 8.0924 111.4351 61.6322 62.5182 176.3777 27 A 4.0597 8.0113 123.4049 54.9006 17.9710 179.7549 28 I 3.5915 7.9810 118.7370 64.6785 37.2142 178.6197 29 F 4.0467 8.3801 118.8746 60.5247 38.5527 177.7569 30 Q 4.2768 8.2376 117.3649 59.0953 28.2931 178.5042 31 R 3.8731 7.9905 120.0981 58.9643 30.2230 178.0778 32 V 3.9502 7.8404 117.1194 64.3294 31.3480 176.4873 33 I 4.3870 7.6770 109.1184 59.8635 38.0854 176.2491 34 G 3.9356 8.1345 107.9314 46.7022 0.0000 174.1579 35 T 3.8641 7.3170 116.9050 62.9425 68.7646 172.6938 36 P 4.4091 0.0000 0.0000 61.2916 32.1263 174.1247 37 P 4.2290 0.0000 0.0000 64.8131 31.2671 176.7593 38 G 3.9610 8.2020 111.6888 45.4021 0.0000 174.2453 39 R 4.2138 7.2716 117.0683 57.0047 31.0867 176.7725 40 L 3.8143 7.7580 119.8493 55.6777 42.6808 176.4935 41 Q 4.3601 8.8135 125.9993 54.7946 29.8789 174.2698 42 L 5.1195 8.4119 126.4534 53.1435 44.5985 175.5384 43 I 4.4715 8.5633 126.1714 59.6998 40.3451 174.2675 44 I 4.5763 8.3584 128.3615 59.8510 38.6628 175.1000 45 Q 4.5353 9.1367 128.4624 54.2636 31.6548 174.1253 46 I 4.6970 8.4886 127.6458 60.3968 38.3215 175.1496 47 V 4.2899 9.0470 128.8753 60.8557 33.2173 175.3785 48 S 4.2496 8.6908 122.8749 57.6474 63.1857 172.8569 49 P 3.9148 0.0000 0.0000 65.7109 31.2673 178.1354 50 E 3.9971 8.1933 117.3835 58.4631 29.6702 176.7528 51 N 4.8712 8.7318 115.7516 52.9111 38.8817 173.9345 52 T 4.7571 7.4922 109.8630 59.1724 71.9662 174.3436 53 L 4.0055 8.3905 119.3966 57.8194 41.5745 179.0618 54 A 4.1363 7.9242 120.2904 54.1433 18.0094 179.4851 55 V 3.7323 7.3689 116.8813 64.2624 31.2124 178.2806 56 I 3.9560 7.4609 120.3879 63.2511 38.2130 176.3204 57 D 4.8002 7.1679 118.9567 51.6796 40.9321 174.9023 58 L 4.0667 8.1999 124.6699 57.6604 42.7985 176.5339 59 D 4.5234 7.9438 120.8878 54.5652 40.8305 176.1472 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 4.41 0.00 1.63 2.18 0.00 3.46 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 1.47 1.74 0.00 2 M 8.46 4.93 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 3 L 9.54 4.83 0.00 1.74 1.52 1.18 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.97 5.06 0.00 1.97 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 5 V 8.49 4.40 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 0.87 0.00 0.00 1.08 0.00 0.00 6 F 8.95 5.18 0.00 2.95 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 7 Y 9.05 4.84 0.00 3.04 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 8 S 6.62 4.33 0.00 3.73 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 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 10 D 8.84 4.52 0.00 2.82 2.82 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 0.00 0.00 0.00 11 R 7.65 4.55 0.00 1.81 1.89 0.00 3.22 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 12 P 0.00 4.30 0.00 2.19 2.24 0.00 3.86 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 13 P 0.00 4.41 0.00 2.07 1.87 0.00 3.54 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.55 0.00 14 D 8.23 4.65 0.00 2.91 2.84 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 15 R 8.44 3.92 0.00 1.87 2.03 0.00 3.12 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 16 T 7.86 3.85 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 1.25 0.00 0.00 17 R 8.54 3.91 0.00 2.15 1.86 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 18 K 7.99 4.09 0.00 2.02 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.58 7.81 19 Q 8.47 4.02 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 20 A 8.23 4.04 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 21 F 8.31 4.19 0.00 3.15 3.24 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 0.00 22 A 8.30 3.75 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 23 A 7.93 3.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.80 0.00 2.22 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 2.27 2.30 0.00 25 A 7.71 3.78 1.03 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 0.00 0.00 26 S 8.09 4.04 0.00 4.01 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 27 A 8.01 4.06 1.35 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 0.00 0.00 28 I 7.98 3.59 1.88 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 1.45 0.61 0.66 0.00 0.00 29 F 8.38 4.05 0.00 3.24 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 30 Q 8.24 4.28 0.00 2.52 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 31 R 7.99 3.87 0.00 1.95 2.10 0.00 3.23 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 32 V 7.84 3.95 1.98 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 0.87 0.00 0.00 0.90 0.00 0.00 33 I 7.68 4.39 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.92 0.94 0.00 0.00 34 G 8.13 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 35 T 7.32 3.86 4.32 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 1.14 0.00 0.00 36 P 0.00 4.41 0.00 2.16 1.96 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 37 P 0.00 4.23 0.00 2.16 2.07 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 38 G 8.20 3.96 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 0.00 0.00 0.00 39 R 7.27 4.21 0.00 1.71 1.94 0.00 3.17 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 40 L 7.76 3.81 0.00 1.47 1.45 0.84 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.81 4.36 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 42 L 8.41 5.12 0.00 1.56 1.49 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.56 4.47 1.79 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 1.20 0.54 0.82 0.00 0.00 44 I 8.36 4.58 1.86 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 1.25 0.58 0.86 0.00 0.00 45 Q 9.14 4.54 0.00 1.88 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 46 I 8.49 4.70 1.92 0.00 0.00 0.89 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 1.00 1.03 0.00 0.00 47 V 9.05 4.29 2.12 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 0.94 0.00 0.00 1.12 0.00 0.00 48 S 8.69 4.25 0.00 3.91 3.73 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 49 P 0.00 3.91 0.00 2.19 2.07 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 50 E 8.19 4.00 0.00 1.92 1.98 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 2.29 2.33 0.00 51 N 8.73 4.87 0.00 2.83 2.79 0.00 0.00 6.76 5.65 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 52 T 7.49 4.76 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 1.21 0.00 0.00 53 L 8.39 4.01 0.00 1.68 1.74 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.92 4.14 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 55 V 7.37 3.73 2.25 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 0.84 0.00 0.00 0.95 0.00 0.00 56 I 7.46 3.96 1.86 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 1.53 0.79 0.90 0.00 0.00 57 D 7.17 4.80 0.00 2.63 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 58 L 8.20 4.07 0.00 1.62 1.67 0.94 1.30 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 59 D 7.94 4.52 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00