NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.1551 8.2549 120.8618 56.1116 31.4444 175.1481 8 N 4.4722 8.3393 116.3019 51.2686 38.4669 172.1508 9 E 3.9318 9.0779 129.1252 59.2920 30.2525 178.0541 10 A 4.0883 7.9861 120.1831 55.1898 18.5118 179.4664 11 L 4.0371 7.8737 117.0981 57.6772 41.7993 179.5397 12 R 3.8979 7.8837 118.6406 59.4670 30.0603 178.6245 13 I 3.7284 8.1802 119.9911 64.4451 37.2544 177.9681 14 E 4.0501 8.5719 121.8490 58.6594 29.3985 178.8166 15 S 4.0572 8.2365 112.8092 61.4567 62.5522 176.0019 16 A 4.0229 7.9418 123.3302 54.9351 18.0101 179.4061 17 L 3.9221 8.3987 119.2222 58.4861 42.2010 179.2743 18 L 4.0470 8.3881 119.3429 57.8561 41.5116 179.3438 19 N 4.3599 8.4042 116.6446 56.1716 38.4916 177.4215 20 K 4.0482 8.2294 121.1288 59.4309 32.2917 179.0613 21 I 3.7872 8.1583 120.3146 64.1640 36.7742 178.2286 22 A 4.0504 8.1764 121.2210 55.4166 18.2816 179.2340 23 M 4.1567 7.8356 116.3139 58.4757 32.0883 178.4413 24 L 4.0897 7.7441 119.7465 55.5802 42.7800 178.3967 25 G 4.0781 7.8848 103.1223 45.8076 0.0000 174.1298 26 T 3.8248 8.5753 116.3804 66.6140 68.4681 176.2934 27 E 3.8904 8.1253 120.2101 59.5550 29.7449 179.0182 28 K 4.0435 7.9681 117.7842 59.4897 32.1910 179.5111 29 T 3.8227 8.0171 116.0713 66.5088 68.3908 176.5977 30 A 3.8350 8.1398 122.8795 55.0688 18.4193 179.2990 31 E 3.7888 8.2323 117.6136 59.2690 29.4702 178.9074 32 A 4.0309 7.8695 119.8923 54.7815 18.5929 179.1579 33 V 3.8408 7.3151 107.4768 60.3211 31.9858 176.4504 34 G 3.7284 7.3988 105.3627 46.5510 0.0000 173.7335 35 V 4.2519 7.0760 118.1600 59.9463 33.7906 174.9243 36 D 4.4328 8.3526 125.2357 53.8977 42.1386 176.9579 37 K 3.8639 8.7565 125.8671 59.6852 31.8533 178.8610 38 S 4.3914 8.7694 113.3285 60.0642 63.3487 175.1555 39 Q 4.6006 8.1531 120.7531 55.8659 29.7103 177.1247 40 I 3.7824 7.4210 119.6631 63.9706 37.8956 177.6168 41 S 4.1628 8.1175 113.6381 61.5035 62.3627 176.2434 42 R 3.9378 8.0363 120.2708 58.8794 29.8983 178.4995 43 W 4.2790 8.5876 128.3636 60.6189 30.7125 178.1649 44 K 4.1359 8.8143 118.6000 59.5234 31.3241 179.0798 45 R 3.8366 7.9690 117.8732 59.6414 29.0123 177.9134 46 D 4.1447 7.9530 118.1054 56.8963 40.9740 178.8023 47 W 3.6916 7.7250 119.4521 58.9359 28.9217 178.8505 48 I 3.8140 7.4730 119.9504 63.9499 36.4270 176.6707 49 P 4.8457 0.0000 0.0000 64.8236 31.1646 178.8929 50 K 3.8198 7.1494 114.5322 59.5708 31.9413 179.5593 51 F 4.7207 8.3041 118.1725 60.4162 38.2324 178.0853 52 S 4.1928 8.5751 115.8059 61.5840 62.5773 176.2569 53 M 4.0507 7.9125 120.7401 58.4497 31.9653 177.9777 54 L 3.9947 8.0427 120.4528 58.3335 42.2424 178.9652 55 L 3.9483 8.3750 119.0529 57.6056 41.4921 179.4025 56 A 4.0433 8.1795 120.7728 55.2752 18.1533 179.8549 57 V 3.6389 7.7613 115.4834 65.8917 31.6752 177.3089 58 L 4.4115 8.0347 115.7546 53.8044 42.0887 176.3238 59 E 3.8948 8.4362 118.2077 56.6797 27.6353 174.4965 60 W 4.3431 8.5081 128.8133 59.0539 31.3150 175.5726 61 G 3.9802 8.5615 114.4830 45.8069 0.0000 175.5666 62 V 3.5323 7.8417 119.2646 66.0515 31.4032 178.1486 63 V 3.5420 7.6478 117.5000 66.1157 31.3933 177.4958 64 D 4.2663 7.9179 118.1547 57.4046 40.5490 178.1281 65 D 4.3342 8.0399 118.5792 57.3466 41.1674 178.0802 66 D 4.3553 8.2134 119.6684 57.5762 40.8088 178.6171 67 M 4.0465 8.3961 119.3246 58.1681 31.8812 178.6748 68 A 4.0012 7.9837 121.1215 55.0039 18.5584 179.6331 69 R 3.8021 7.7548 117.3105 59.5762 30.1456 178.7300 70 L 4.1282 8.0884 118.5639 57.7719 41.5304 179.2862 71 A 4.0001 8.4343 121.0663 55.3597 18.3794 179.9398 72 R 3.8639 7.9799 116.4674 59.3954 29.9695 179.3831 73 Q 3.9673 8.1186 117.8793 59.0256 28.6796 178.9707 74 V 3.5819 8.2492 119.4782 65.8369 31.5355 177.8659 75 A 3.9509 8.3614 120.7205 55.1541 17.9919 179.5074 76 A 3.9945 7.7543 118.1344 55.0601 18.4398 179.8359 77 I 3.8376 7.2063 117.8556 64.6966 37.4221 178.4787 78 L 4.1553 7.9491 118.1397 57.4790 41.4835 177.3731 79 T 4.0520 7.8016 119.7883 63.7943 68.3417 173.9469 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 7 R 8.25 4.16 0.00 1.80 1.96 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 8 N 8.34 4.47 0.00 2.86 2.78 0.00 0.00 6.48 6.78 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 9 E 9.08 3.93 0.00 2.10 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 2.43 2.50 0.00 10 A 7.99 4.09 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 4.04 0.00 1.88 1.74 0.92 0.85 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 12 R 7.88 3.90 0.00 1.93 2.15 0.00 3.12 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 13 I 8.18 3.73 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.96 0.00 0.00 14 E 8.57 4.05 0.00 2.06 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 0.00 2.32 2.20 0.00 15 S 8.24 4.06 0.00 3.96 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 16 A 7.94 4.02 1.44 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 0.00 0.00 0.00 17 L 8.40 3.92 0.00 1.92 1.93 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.39 4.05 0.00 1.77 1.74 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.40 4.36 0.00 2.90 2.89 0.00 0.00 6.61 6.83 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 20 K 8.23 4.05 0.00 2.07 1.84 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.55 7.81 21 I 8.16 3.79 2.13 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 0.99 0.00 0.00 22 A 8.18 4.05 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 23 M 7.84 4.16 0.00 2.03 2.32 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 2.83 2.56 0.00 24 L 7.74 4.09 0.00 1.65 1.91 0.92 1.00 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 25 G 7.88 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 26 T 8.58 3.82 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 1.22 0.00 0.00 27 E 8.13 3.89 0.00 2.02 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 0.00 2.36 2.40 0.00 28 K 7.97 4.04 0.00 1.97 1.83 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.52 7.81 29 T 8.02 3.82 4.39 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 0.00 0.00 0.00 1.22 0.00 0.00 30 A 8.14 3.84 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 0.00 0.00 31 E 8.23 3.79 0.00 2.09 2.07 0.00 0.00 0.00 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 2.28 0.00 32 A 7.87 4.03 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 33 V 7.32 3.84 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.23 0.00 0.00 34 G 7.40 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 0.00 0.00 0.00 35 V 7.08 4.25 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 0.76 0.00 0.00 0.41 0.00 0.00 36 D 8.35 4.43 0.00 2.70 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 37 K 8.76 3.86 0.00 1.85 1.80 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.51 7.81 38 S 8.77 4.39 0.00 4.05 3.99 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 39 Q 8.15 4.60 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 40 I 7.42 3.78 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 1.00 0.00 0.00 41 S 8.12 4.16 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.04 3.94 0.00 2.14 2.02 0.00 3.23 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 43 W 8.59 4.28 0.00 3.62 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.81 4.14 0.00 2.12 1.98 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.89 2.02 7.81 45 R 7.97 3.84 0.00 1.88 2.13 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 46 D 7.95 4.14 0.00 2.25 2.03 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 47 W 7.73 3.69 0.00 1.78 2.05 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 48 I 7.47 3.81 1.97 0.00 0.00 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 1.73 1.07 0.97 0.00 0.00 49 P 0.00 4.85 0.00 1.98 2.00 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 50 K 7.15 3.82 0.00 1.40 1.58 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.45 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.10 1.15 7.81 51 F 8.30 4.72 0.00 3.09 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 52 S 8.58 4.19 0.00 3.98 4.09 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 0.00 0.00 0.00 0.00 53 M 7.91 4.05 0.00 2.22 2.16 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 2.60 2.57 0.00 54 L 8.04 3.99 0.00 1.96 1.95 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.38 3.95 0.00 1.82 1.71 0.62 -0.06 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 56 A 8.18 4.04 1.44 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 0.00 0.00 0.00 57 V 7.76 3.64 2.28 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 0.90 0.00 0.00 1.02 0.00 0.00 58 L 8.03 4.41 0.00 1.83 1.86 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.44 3.89 0.00 2.24 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 2.28 2.27 0.00 60 W 8.51 4.34 0.00 3.40 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 61 G 8.56 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 62 V 7.84 3.53 2.22 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 1.03 0.00 0.00 0.96 0.00 0.00 63 V 7.65 3.54 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 1.04 0.00 0.00 0.88 0.00 0.00 64 D 7.92 4.27 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.33 0.00 2.89 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 66 D 8.21 4.36 0.00 2.87 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.40 4.05 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.86 0.00 68 A 7.98 4.00 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 69 R 7.75 3.80 0.00 1.83 2.13 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 70 L 8.09 4.13 0.00 1.91 1.69 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.43 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.98 3.86 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 73 Q 8.12 3.97 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 74 V 8.25 3.58 2.07 0.00 0.00 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 0.00 0.00 0.97 0.00 0.00 75 A 8.36 3.95 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.75 3.99 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 77 I 7.21 3.84 2.00 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 1.76 0.84 0.91 0.00 0.00 78 L 7.95 4.16 0.00 1.60 1.73 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.80 4.05 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