NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4018 8.3344 115.4126 58.1441 64.3394 172.6275 3 I 4.3237 7.9610 123.8122 57.0490 40.0532 174.0676 4 S 4.1455 8.9331 121.4171 60.6374 64.1508 174.1973 5 A 3.9646 7.9801 123.9559 52.8385 18.1016 177.3639 6 R 4.1408 7.9282 122.3655 57.2763 30.9118 176.1483 7 N 4.9150 7.7872 115.6305 51.5847 40.5669 174.2719 8 Q 4.8004 8.6348 122.7980 54.3992 32.3849 174.8137 9 L 4.6692 8.9561 125.9647 52.5141 44.0785 176.5175 10 K 4.4572 8.7532 124.3525 56.7592 33.1730 177.0142 11 G 4.1448 8.7921 110.1590 45.6665 0.0000 171.1728 12 K 5.1110 8.4993 120.1929 54.2000 35.7796 176.2613 13 V 4.1681 8.8091 127.7350 63.3892 31.9727 176.3921 14 V 4.4104 8.8855 120.9377 61.2436 33.3104 176.2011 15 G 4.2784 7.6871 107.4396 44.5301 0.0000 172.0198 16 L 5.2196 8.4172 125.5355 53.1931 45.3295 175.0856 17 K 4.5456 9.0519 127.0345 54.6813 35.1968 174.7771 18 K 4.5732 8.8738 127.2187 55.3277 33.2568 177.0964 19 G 4.3008 8.3999 114.6158 45.1109 0.0000 173.4877 20 V 3.8563 8.5602 118.7955 65.0705 32.4054 177.6139 21 V 4.3015 7.8118 118.3438 63.7418 34.0534 175.0738 22 T 5.2662 7.6780 108.9706 60.1467 72.3903 172.8095 23 A 5.0838 8.7456 121.2899 50.7078 23.2353 174.7518 24 E 5.1165 9.2165 122.4727 54.3938 32.2198 174.8157 25 V 4.8736 8.9168 126.8167 61.0194 34.8063 174.0325 26 V 4.8454 8.8988 127.8827 61.1332 33.9607 173.9775 27 L 5.2302 8.9411 128.0734 52.9341 44.8823 174.9605 28 E 4.8138 9.0778 124.8787 55.2012 31.1659 175.3451 29 I 4.8400 8.4820 120.8000 58.5371 41.0579 174.7088 30 A 4.0667 8.4062 124.0993 53.8653 18.5528 178.3721 31 G 3.7889 8.9968 108.5541 45.9183 0.0000 174.5156 32 G 3.8772 7.8519 105.8465 45.2087 0.0000 173.5587 33 N 4.9499 7.4992 117.2347 51.8246 40.8895 174.2098 34 K 5.1327 8.4591 118.9852 54.7613 35.8842 175.6991 35 I 4.5971 8.7285 124.0805 59.7886 40.3944 174.5221 36 T 5.0177 8.5635 122.5811 61.7567 70.9313 173.4089 37 S 4.7311 9.2258 121.1400 56.4121 65.6019 172.4838 38 I 5.0324 8.4952 127.5568 59.7305 39.1852 174.4774 39 I 4.8541 8.3985 120.6674 58.6000 41.8710 174.8636 40 S 4.6743 8.4892 115.8103 57.9719 63.8394 174.9135 41 L 3.9603 8.7675 124.7802 58.4497 41.6665 179.1906 42 D 4.3695 8.0897 118.3200 57.6760 40.7873 178.9323 43 S 4.0993 8.2099 115.4917 61.4954 62.7929 176.7393 44 V 3.5820 7.6750 120.5328 66.1497 31.0497 178.0116 45 E 4.0117 8.1463 117.9581 59.4167 29.2428 179.0897 46 E 3.9963 8.2944 117.6348 58.9049 29.5817 178.6237 47 L 4.3493 8.0527 117.2984 54.5387 41.9739 177.5424 48 G 3.8322 7.6478 106.8952 45.8626 0.0000 173.8767 49 V 3.6507 7.3776 119.1715 62.8414 31.9908 175.5871 50 K 4.6589 8.2544 124.6697 54.2623 35.9731 175.0548 51 E 4.1251 8.6233 121.5648 58.1892 29.8390 177.9965 52 G 3.9830 8.8846 114.3156 45.1139 0.0000 173.7655 53 A 4.1522 7.8049 121.6911 52.2184 19.7943 176.5233 54 E 4.8811 8.6531 120.1013 55.0934 30.7483 175.3111 55 L 4.9374 8.6597 123.6707 53.4335 47.0685 175.3111 56 T 5.0525 8.4130 115.6066 61.8746 71.0410 174.0291 57 A 4.5207 8.8412 128.1745 51.0472 20.6060 176.2339 58 V 4.8805 8.3132 121.1378 61.0508 34.2823 174.9003 59 V 4.4901 8.5713 126.7022 60.7588 35.1232 174.6231 60 K 4.2394 8.6623 128.6390 56.0756 33.2720 177.6635 61 S 4.1540 8.8290 121.8582 62.0180 62.8832 176.2135 62 T 4.1832 7.8566 107.3163 62.9849 68.7179 174.3459 63 D 4.6897 8.0764 121.3165 54.1303 41.5055 175.9892 64 V 4.1428 7.5007 120.0899 61.5405 32.3507 175.2970 65 M 4.5402 8.3869 126.5073 53.9716 33.9086 175.1060 66 I 4.4604 8.0486 120.3799 59.3720 39.6986 175.0067 67 L 4.5961 8.5569 126.3035 53.0763 43.8681 175.8075 68 A 4.3410 8.5594 127.6500 52.3120 19.1999 175.6011 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 2 S 8.33 4.40 0.00 3.99 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 3 I 7.96 4.32 1.87 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 1.47 1.03 0.91 0.00 0.00 4 S 8.93 4.15 0.00 4.02 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 5 A 7.98 3.96 1.27 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 0.00 0.00 6 R 7.93 4.14 0.00 1.84 1.99 0.00 3.13 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 7 N 7.79 4.92 0.00 2.85 2.73 0.00 0.00 6.60 7.52 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 8 Q 8.63 4.80 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 9 L 8.96 4.67 0.00 1.53 1.57 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.75 4.46 0.00 1.64 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 G 8.79 4.14 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 12 K 8.50 5.11 0.00 1.82 1.60 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.47 7.81 13 V 8.81 4.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 14 V 8.89 4.41 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 0.72 0.00 0.00 0.99 0.00 0.00 15 G 7.69 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 16 L 8.42 5.22 0.00 1.58 1.49 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.05 4.55 0.00 1.83 1.59 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.38 7.81 18 K 8.87 4.57 0.00 1.67 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 19 G 8.40 4.30 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 0.00 20 V 8.56 3.86 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 0.80 0.00 0.00 0.93 0.00 0.00 21 V 7.81 4.30 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 22 T 7.68 5.27 4.31 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 0.00 0.00 0.00 1.21 0.00 0.00 23 A 8.75 5.08 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 24 E 9.22 5.12 0.00 2.02 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 0.00 2.20 2.22 0.00 25 V 8.92 4.87 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 0.96 0.00 0.00 0.93 0.00 0.00 26 V 8.90 4.85 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 1.01 0.00 0.00 0.93 0.00 0.00 27 L 8.94 5.23 0.00 1.59 1.52 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.08 4.81 0.00 2.03 1.81 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 2.25 2.24 0.00 29 I 8.48 4.84 1.87 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 1.28 0.76 0.95 0.00 0.00 30 A 8.41 4.07 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 31 G 9.00 3.79 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 0.00 0.00 0.00 32 G 7.85 3.88 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 0.00 0.00 0.00 33 N 7.50 4.95 0.00 2.74 2.73 0.00 0.00 6.78 7.56 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 34 K 8.46 5.13 0.00 1.58 1.66 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.43 7.81 35 I 8.73 4.60 1.87 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 1.23 1.13 0.91 0.00 0.00 36 T 8.56 5.02 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 1.21 0.00 0.00 37 S 9.23 4.73 0.00 3.83 3.78 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 0.00 38 I 8.50 5.03 1.87 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 1.40 0.78 0.91 0.00 0.00 39 I 8.40 4.85 1.87 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 1.28 0.95 0.91 0.00 0.00 40 S 8.49 4.67 0.00 4.02 4.03 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 41 L 8.77 3.96 0.00 1.77 1.71 0.97 1.27 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 42 D 8.09 4.37 0.00 2.72 2.71 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 43 S 8.21 4.10 0.00 3.87 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 44 V 7.68 3.58 2.21 0.00 0.00 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 0.93 0.00 0.00 45 E 8.15 4.01 0.00 2.09 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 0.00 2.32 2.54 0.00 46 E 8.29 4.00 0.00 1.92 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 2.34 2.49 0.00 47 L 8.05 4.35 0.00 1.69 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.65 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 49 V 7.38 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 0.79 0.00 0.00 0.93 0.00 0.00 50 K 8.25 4.66 0.00 1.79 1.61 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.57 7.81 51 E 8.62 4.13 0.00 1.99 1.83 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 2.38 2.48 0.00 52 G 8.88 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 53 A 7.80 4.15 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 54 E 8.65 4.88 0.00 1.86 1.91 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 2.23 2.32 0.00 55 L 8.66 4.94 0.00 1.57 1.51 0.92 0.51 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 56 T 8.41 5.05 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 1.24 0.00 0.00 57 A 8.84 4.52 1.23 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 0.00 0.00 0.00 58 V 8.31 4.88 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 0.86 0.00 0.00 0.93 0.00 0.00 59 V 8.57 4.49 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 0.88 0.00 0.00 0.93 0.00 0.00 60 K 8.66 4.24 0.00 1.83 1.65 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.46 7.81 61 S 8.83 4.15 0.00 3.92 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 62 T 7.86 4.18 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 1.21 0.00 0.00 63 D 8.08 4.69 0.00 2.86 2.72 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 0.00 0.00 0.00 64 V 7.50 4.14 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 0.78 0.00 0.00 0.93 0.00 0.00 65 M 8.39 4.54 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 66 I 8.05 4.46 1.87 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 1.30 0.88 0.91 0.00 0.00 67 L 8.56 4.60 0.00 1.54 1.53 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.56 4.34 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00