NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4897 0.0000 0.0000 62.3832 33.6061 175.0194 2 I 4.7521 8.2716 123.0135 59.1702 40.3312 172.8826 3 A 4.7520 9.2579 130.0560 49.9741 22.1262 174.4367 4 Q 4.8578 8.7264 123.1970 54.4678 31.2308 174.4474 5 I 4.4370 8.6002 128.2264 60.0000 39.5488 174.4716 6 H 5.2051 8.8292 124.5611 54.2641 29.9522 174.3394 7 I 4.6059 8.4572 116.9188 58.5469 41.0843 175.0083 8 L 4.6230 8.3350 123.6859 54.3224 42.1437 176.8774 9 E 3.9970 9.2124 121.6080 57.2590 30.1345 176.5303 10 G 3.4397 8.7984 112.2943 45.7199 0.0000 174.4760 11 R 4.3234 7.5626 119.5701 55.5770 31.1685 176.5864 12 S 4.5633 8.5053 115.4617 57.6540 65.5684 175.1617 13 D 4.3535 8.4468 121.6234 57.5965 40.5432 178.9267 14 E 3.9630 8.1144 118.6390 59.4567 29.5054 179.2571 15 Q 4.0140 7.8894 118.2874 58.8754 28.7939 178.8149 16 K 4.0909 8.0973 119.3592 58.9083 32.2504 179.0712 17 E 3.9761 8.3671 120.1857 59.3179 29.5049 179.0457 18 T 3.8521 8.0252 115.9293 66.4295 68.5508 176.2732 19 L 3.9303 7.8484 122.2606 58.4690 42.0963 179.1436 20 I 3.6978 7.7991 119.5181 64.2359 36.9792 178.5375 21 R 3.8635 7.8038 119.0468 59.3761 29.9938 178.2694 22 E 3.8917 8.5394 118.7379 59.6127 29.5604 179.5401 23 V 3.5999 7.9062 118.0791 66.2312 31.5990 178.2210 24 S 4.1565 7.9577 114.3953 61.5663 62.5545 176.5657 25 E 4.0020 8.2838 121.1570 59.1579 29.2887 178.9447 26 A 4.0252 8.1399 120.8808 55.2560 18.3709 179.8746 27 I 3.6718 7.7587 118.2026 64.3657 37.2491 178.2991 28 S 4.1655 7.8461 113.7633 61.6744 62.3590 176.6108 29 R 4.0055 8.4071 118.9550 59.2789 29.0513 178.8705 30 S 4.2738 8.0073 115.2658 60.4457 62.9071 175.4897 31 L 4.5346 7.7152 118.3295 53.1243 42.3138 175.6150 32 D 4.3273 7.4544 115.7506 55.0821 40.2586 172.8922 33 A 4.7225 7.5949 118.6900 48.9640 21.1374 176.0780 34 P 4.3315 0.0000 0.0000 62.4191 32.1509 176.9672 35 L 3.9165 8.9072 125.0694 58.4347 41.9505 178.9278 36 T 3.9287 7.9428 106.8773 63.7477 68.5902 174.6125 37 S 4.4553 8.0222 116.0364 58.9168 63.9356 174.5926 38 V 4.0413 7.5944 122.3801 62.8993 32.1060 175.4944 39 R 4.6591 8.8181 125.8925 54.4272 33.4368 174.4239 40 V 4.8993 8.5385 123.3426 61.0898 34.6115 174.6400 41 I 4.6066 8.6378 126.5830 59.6761 40.6913 174.1864 42 I 4.7149 8.4381 127.6761 59.9790 39.1616 175.2782 43 T 4.4968 8.6371 122.8678 61.7590 71.3835 173.1514 44 E 4.7962 8.8265 126.2548 56.1057 31.0442 175.9030 45 M 4.8538 8.9908 122.4691 53.2207 35.2624 175.3158 46 A 4.7020 8.4324 124.3786 51.0490 19.4103 178.6074 47 K 3.2215 9.3888 121.3471 59.2670 32.3770 178.7209 48 G 4.1451 8.0078 105.0349 45.7420 0.0000 173.4544 49 H 4.9598 9.1341 116.2027 54.9916 29.5270 173.4732 50 F 5.1238 8.1856 122.5921 56.3191 41.4476 173.6993 51 G 4.1663 8.4339 116.6334 43.6429 0.0000 172.6479 52 I 4.0247 8.1624 123.3951 60.0629 39.6678 176.1355 53 G 3.8548 9.4529 112.9757 46.0511 0.0000 173.5162 54 G 3.9912 8.3140 108.3795 44.9483 0.0000 174.1579 55 E 4.5045 7.6635 118.6185 54.6226 31.0780 175.8452 56 L 4.4809 8.0903 120.7622 54.3730 42.5327 178.3199 57 A 4.0449 8.7438 125.5548 55.3119 18.5554 179.6682 58 S 4.2886 7.9328 110.2325 60.1439 63.3129 174.5029 59 K 4.1732 7.6392 124.1758 56.6919 32.3336 175.6151 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 4.49 0.00 2.09 2.03 0.00 3.63 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 2.12 0.00 2 I 8.27 4.75 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 1.27 0.71 0.91 0.00 0.00 3 A 9.26 4.75 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 4 Q 8.73 4.86 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.66 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 5 I 8.60 4.44 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.89 0.00 0.00 6 H 8.83 5.21 0.00 2.94 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.46 4.61 1.81 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 1.17 0.89 0.86 0.00 0.00 8 L 8.33 4.62 0.00 1.52 1.63 1.02 1.01 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 9 E 9.21 4.00 0.00 1.99 2.18 0.00 0.00 0.00 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 2.27 0.00 10 G 8.80 3.44 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 0.00 11 R 7.56 4.32 0.00 1.80 1.98 0.00 3.36 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 12 S 8.51 4.56 0.00 4.19 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 13 D 8.45 4.35 0.00 2.78 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 14 E 8.11 3.96 0.00 2.05 1.99 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 2.39 2.46 0.00 15 Q 7.89 4.01 0.00 2.25 2.14 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 2.37 2.39 0.00 16 K 8.10 4.09 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.66 7.81 17 E 8.37 3.98 0.00 2.16 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 0.00 2.30 2.34 0.00 18 T 8.03 3.85 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 1.21 0.00 0.00 19 L 7.85 3.93 0.00 1.85 1.85 0.91 1.12 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 20 I 7.80 3.70 2.00 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 1.39 0.92 0.90 0.00 0.00 21 R 7.80 3.86 0.00 1.90 2.07 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 1.66 0.00 22 E 8.54 3.89 0.00 1.96 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 2.50 2.46 0.00 23 V 7.91 3.60 2.19 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 1.03 0.00 0.00 0.97 0.00 0.00 24 S 7.96 4.16 0.00 4.17 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 25 E 8.28 4.00 0.00 2.17 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 2.32 2.32 0.00 26 A 8.14 4.03 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 27 I 7.76 3.67 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 1.41 0.84 0.91 0.00 0.00 28 S 7.85 4.17 0.00 4.03 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 29 R 8.41 4.01 0.00 2.05 2.29 0.00 2.83 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 S 8.01 4.27 0.00 4.04 3.97 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 0.00 0.00 0.00 31 L 7.72 4.53 0.00 1.61 1.67 0.92 1.03 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 32 D 7.45 4.33 0.00 2.83 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 33 A 7.59 4.72 1.24 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 0.00 0.00 34 P 0.00 4.33 0.00 2.23 2.20 0.00 3.72 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 2.07 1.95 0.00 35 L 8.91 3.92 0.00 1.74 1.73 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.94 3.93 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 8.02 4.46 0.00 3.96 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 38 V 7.59 4.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 39 R 8.82 4.66 0.00 1.74 1.76 0.00 3.28 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 40 V 8.54 4.90 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 0.85 0.00 0.00 0.92 0.00 0.00 41 I 8.64 4.61 1.84 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 1.21 0.56 0.87 0.00 0.00 42 I 8.44 4.71 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.52 0.87 0.00 0.00 43 T 8.64 4.50 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 1.14 0.00 0.00 44 E 8.83 4.80 0.00 1.83 1.84 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 2.25 2.30 0.00 45 M 8.99 4.85 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 46 A 8.43 4.70 1.07 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 0.00 0.00 0.00 0.00 0.00 47 K 9.39 3.22 0.00 1.81 1.94 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.68 1.56 7.81 48 G 8.01 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 9.13 4.96 0.00 3.31 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.19 5.12 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.43 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.16 4.02 1.67 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.22 0.81 0.00 0.00 53 G 9.45 3.85 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 0.00 0.00 0.00 54 G 8.31 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 0.00 0.00 0.00 55 E 7.66 4.50 0.00 1.95 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 2.23 2.38 0.00 56 L 8.09 4.48 0.00 1.75 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.74 4.04 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.93 4.29 0.00 3.95 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.64 4.17 0.00 1.83 1.79 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.33 7.81