NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5173 8.1627 118.3265 55.5369 33.7216 173.1625 2 Q 4.7925 8.0216 118.0297 52.9229 32.7002 171.7030 3 I 4.4171 9.4212 119.4301 59.0869 42.4968 173.0658 4 F 5.4770 8.6452 120.8198 55.7025 41.7906 174.9805 5 V 4.7904 9.1916 123.3580 60.9259 34.1047 173.9958 6 K 5.0501 8.9761 129.5355 54.6489 34.6908 176.1134 7 T 4.7252 8.4730 118.2054 60.9984 69.8399 174.6792 8 L 4.2003 8.3892 121.4754 57.7632 41.9874 178.7010 9 T 3.9681 8.2089 108.0829 64.7416 68.4593 173.5720 10 G 3.5200 7.6507 115.3467 45.1069 0.0000 173.7054 11 K 3.7704 7.4140 122.0828 57.6063 32.8012 176.0548 12 T 5.1509 8.5184 123.1430 62.1957 71.3855 174.0161 13 I 4.7083 8.5907 123.6911 60.1943 41.6298 174.2958 14 T 5.0579 8.6939 123.1850 62.2608 70.1145 174.0688 15 L 4.7895 8.8845 125.6229 52.8411 45.3717 174.9830 16 E 4.7921 8.7096 123.7696 55.0484 30.5387 175.2103 17 V 4.7287 8.8339 119.6244 59.8439 36.3608 174.5203 18 E 4.7898 9.0736 120.7554 54.0438 32.4133 176.1012 19 P 4.3740 0.0000 0.0000 64.6582 31.6667 178.5636 20 S 4.3201 7.8593 111.9096 59.8921 63.9386 174.5001 21 D 4.3973 7.9099 122.7961 54.5499 41.0940 176.3693 22 T 4.7554 8.2188 113.9612 61.0768 71.4408 175.9363 23 I 3.7639 8.3944 122.1643 64.3351 36.8697 178.8270 24 E 3.9543 8.1167 119.2821 59.4905 29.2773 178.6150 25 N 4.2597 7.9044 116.6532 56.3808 38.5419 177.6531 26 V 3.5904 7.5200 119.1242 65.9119 31.7815 178.1734 27 K 4.2504 8.4604 119.4111 58.8789 31.8318 179.1389 28 A 4.0204 8.2671 121.1326 55.1304 18.4052 179.8914 29 K 4.0064 7.8141 116.9968 59.4301 31.9685 179.7033 30 I 3.8216 7.7906 120.4260 64.1675 37.0815 178.0218 31 Q 4.2392 8.1121 121.7336 58.5822 28.5097 178.2696 32 D 4.3212 7.7061 118.9143 57.3702 41.1550 178.5934 33 K 4.2974 7.8227 116.6495 58.2993 31.9396 178.1181 34 E 4.5406 8.3428 116.3960 55.6535 32.4855 175.8176 35 G 4.0177 8.2283 105.9750 46.2268 0.0000 173.6457 36 I 4.1810 7.1787 119.9084 59.1128 38.2437 173.7686 37 P 4.5244 0.0000 0.0000 61.7715 31.3741 175.7075 38 P 4.1146 0.0000 0.0000 64.7041 31.4649 177.5912 39 D 4.2274 7.9366 116.4848 54.8366 40.1088 177.2282 40 Q 4.2618 8.7172 119.3625 57.0417 29.5090 175.2601 41 Q 4.6403 7.4201 118.2577 55.3869 30.3304 175.2628 42 R 4.6613 9.2670 122.8567 54.4506 33.2809 174.5918 43 L 5.0254 8.4674 124.2059 53.6763 44.0226 175.8588 44 I 5.0459 8.6248 122.6564 59.5289 41.3610 174.0523 45 F 4.9941 9.4750 128.6516 56.5711 42.0527 174.7863 46 A 3.3677 9.0717 130.3117 53.0849 15.6260 177.5102 47 G 3.9230 7.8464 107.1230 45.3524 0.0000 172.8701 48 K 4.4647 7.7802 121.7527 54.6019 33.7265 174.6607 49 Q 4.6443 8.4075 126.9157 55.5293 29.9500 175.0242 50 L 3.8749 8.5624 127.5480 54.4212 42.2955 176.1635 51 E 4.4697 9.4461 125.9318 55.0144 31.1599 175.5962 52 D 4.4786 8.6672 126.4841 55.9877 41.4337 176.9323 53 G 3.9568 8.7038 111.2206 45.1855 0.0000 173.4287 54 R 4.5384 7.5424 117.4353 54.7315 32.4826 174.9880 55 T 5.0205 8.2010 109.2066 59.6643 71.4655 175.6893 56 L 4.0330 8.4485 121.4803 58.0838 41.5020 180.0673 57 S 4.1065 7.9510 113.6458 61.6433 62.5386 176.1621 58 D 4.5725 7.6437 121.4083 56.3510 40.5515 177.1749 59 Y 4.5289 7.8566 115.0190 56.2761 39.2575 174.6537 60 N 4.1272 8.4370 117.7680 54.4664 37.9122 174.0900 61 I 3.7726 7.6375 117.3897 60.2217 38.1979 175.6266 62 Q 4.6739 8.1252 123.8205 52.8754 31.9157 174.8759 63 K 4.0762 8.3003 117.6401 58.8918 32.5250 176.8894 64 E 3.2981 9.0299 119.7961 56.6763 27.8718 174.8792 65 S 4.5739 7.7519 115.7599 59.0041 64.4182 173.1822 66 T 5.2068 8.6700 117.7585 62.0779 70.6729 173.6847 67 L 5.0901 8.9437 126.4348 53.5317 44.8861 175.1530 68 H 5.3148 9.0953 118.8505 54.1564 31.5964 173.4332 69 L 4.9960 8.6329 124.9100 53.6948 43.1406 175.7343 70 V 4.5611 8.8591 126.6604 61.1431 34.5705 174.1552 71 L 5.7504 8.3032 123.8006 52.2056 44.9176 177.0648 72 R 4.3272 8.9301 123.8878 54.8845 29.1163 176.0395 73 L 4.0689 7.2044 122.7123 53.2749 41.0103 176.7532 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 8.16 4.52 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 2 Q 8.02 4.79 0.00 2.32 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.01 2.34 0.00 3 I 9.42 4.42 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.03 0.74 0.00 0.00 4 F 8.65 5.48 0.00 2.98 2.89 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 5 V 9.19 4.79 2.11 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 0.95 0.00 0.00 0.93 0.00 0.00 6 K 8.98 5.05 0.00 1.69 1.46 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.32 7.81 7 T 8.47 4.73 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 8 L 8.39 4.20 0.00 1.67 1.77 0.92 0.83 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 9 T 8.21 3.97 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 1.22 0.00 0.00 10 G 7.65 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 11 K 7.41 3.77 0.00 1.88 1.75 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 12 T 8.52 5.15 4.21 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 1.21 0.00 0.00 13 I 8.59 4.71 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.93 0.00 0.00 14 T 8.69 5.06 4.33 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 1.28 0.00 0.00 15 L 8.88 4.79 0.00 1.53 1.47 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 4.79 0.00 1.93 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 2.20 2.43 0.00 17 V 8.83 4.73 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 0.70 0.00 0.00 0.85 0.00 0.00 18 E 9.07 4.79 0.00 1.83 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 2.38 0.00 19 P 0.00 4.37 0.00 2.15 2.06 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 20 S 7.86 4.32 0.00 3.96 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 21 D 7.91 4.40 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.22 4.76 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 1.22 0.00 0.00 23 I 8.39 3.76 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.02 0.90 0.00 0.00 24 E 8.12 3.95 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 25 N 7.90 4.26 0.00 2.99 2.87 0.00 0.00 6.71 7.58 0.00 0.00 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 V 7.52 3.59 2.20 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 1.00 0.00 0.00 0.90 0.00 0.00 27 K 8.46 4.25 0.00 1.97 1.85 0.00 1.73 0.00 0.00 1.96 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.46 7.81 28 A 8.27 4.02 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 29 K 7.81 4.01 0.00 1.88 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.82 7.81 30 I 7.79 3.82 2.15 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 0.81 0.91 0.00 0.00 31 Q 8.11 4.24 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 32 D 7.71 4.32 0.00 2.88 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 K 7.82 4.30 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.70 7.81 34 E 8.34 4.54 0.00 2.04 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 2.23 2.40 0.00 35 G 8.23 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 0.00 0.00 0.00 36 I 7.18 4.18 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.95 0.00 0.00 37 P 0.00 4.52 0.00 2.39 1.98 0.00 3.87 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.11 0.00 2.17 2.11 0.00 3.58 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 7.94 4.23 0.00 2.78 2.79 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 40 Q 8.72 4.26 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 41 Q 7.42 4.64 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 42 R 9.27 4.66 0.00 1.72 1.81 0.00 3.42 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.47 5.03 0.00 1.55 1.53 0.89 0.72 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 44 I 8.62 5.05 1.91 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 1.11 0.84 0.94 0.00 0.00 45 F 9.48 4.99 0.00 2.91 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.07 3.37 0.57 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 0.00 0.00 47 G 7.85 3.92 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 0.00 0.00 0.00 48 K 7.78 4.46 0.00 1.82 1.72 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.42 7.81 49 Q 8.41 4.64 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 50 L 8.56 3.87 0.00 1.41 1.31 0.65 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.45 4.47 0.00 2.14 2.00 0.00 0.00 0.00 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 2.34 0.00 52 D 8.67 4.48 0.00 2.73 2.79 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 53 G 8.70 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 54 R 7.54 4.54 0.00 2.10 1.93 0.00 2.98 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 55 T 8.20 5.02 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 1.24 0.00 0.00 56 L 8.45 4.03 0.00 1.71 1.67 0.92 0.82 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 S 7.95 4.11 0.00 4.06 4.11 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 58 D 7.64 4.57 0.00 2.59 2.41 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 0.00 59 Y 7.86 4.53 0.00 3.00 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 60 N 8.44 4.13 0.00 2.84 2.98 0.00 0.00 7.13 7.83 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 61 I 7.64 3.77 1.61 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.17 0.51 0.00 0.00 62 Q 8.13 4.67 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 63 K 8.30 4.08 0.00 1.78 1.78 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.46 7.81 64 E 9.03 3.30 0.00 2.14 2.33 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 2.24 2.24 0.00 65 S 7.75 4.57 0.00 3.77 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 66 T 8.67 5.21 4.36 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 1.23 0.00 0.00 67 L 8.94 5.09 0.00 1.60 1.68 0.85 0.83 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 68 H 9.10 5.31 0.00 3.13 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.63 5.00 0.00 1.62 1.58 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.86 4.56 2.09 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 0.81 0.00 0.00 0.94 0.00 0.00 71 L 8.30 5.75 0.00 1.50 1.51 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.93 4.33 0.00 1.81 1.85 0.00 3.26 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 73 L 7.20 4.07 0.00 1.71 1.57 0.92 0.91 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