NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5000 8.3049 120.3317 55.1746 33.3256 174.5085 2 K 4.5467 8.5276 122.8931 54.0748 34.8008 174.7659 3 K 4.6672 9.2505 122.6858 56.7093 34.2209 175.2844 4 Y 4.9559 8.9238 119.7934 56.4360 41.8404 174.5352 5 T 5.1512 8.8242 117.2693 60.1412 71.1146 172.5245 6 C 3.3959 9.1681 129.2307 59.1115 31.9070 174.3362 7 T 4.1378 8.4801 116.9470 63.1410 69.0422 175.7723 8 V 3.9218 7.5557 121.5485 64.2598 32.0364 175.8233 9 C 4.6833 8.1039 110.6553 57.0496 30.9059 174.6705 10 G 3.9604 8.6970 109.4415 44.8361 0.0000 173.2530 11 Y 4.3518 7.9550 121.1176 58.4781 39.8553 174.8303 12 I 4.7802 7.8014 126.1244 59.5659 39.4744 174.3533 13 Y 4.1947 9.2773 129.6980 57.0351 40.3814 173.5043 14 D 4.8578 7.8738 126.6952 51.5771 42.5584 174.1195 15 P 4.0164 0.0000 0.0000 65.8503 31.4736 178.5345 16 E 4.2173 8.5039 118.5131 58.7506 29.6617 177.4561 17 D 4.4814 7.8439 117.4816 54.1237 42.4235 178.4550 18 G 3.9297 8.2069 107.4506 45.8657 0.0000 175.5243 19 D 5.0023 9.0641 112.9191 52.6509 42.7569 174.2538 20 P 4.3831 0.0000 0.0000 65.8277 31.9473 179.0706 21 D 4.4188 8.2779 117.5728 56.8324 40.7610 177.0628 22 D 4.8184 8.3807 116.4426 54.0184 41.0477 176.8979 23 G 3.7987 8.4480 106.5523 45.5810 0.0000 174.3735 24 V 4.0801 7.6023 120.3842 60.6187 31.1683 175.1046 25 N 4.8590 8.2682 124.6721 51.8110 39.3338 173.3509 26 P 4.1212 0.0000 0.0000 64.5669 31.7887 177.0959 27 G 3.8778 9.1503 109.8099 45.9292 0.0000 173.3535 28 T 4.2630 7.3696 116.5990 62.0058 69.2049 174.5580 29 D 4.6019 8.4686 126.2379 53.6686 42.5852 176.2160 30 F 3.2956 9.1406 127.4722 61.0452 39.0855 177.7774 31 K 3.7571 7.9180 117.1473 59.3911 32.2461 176.9430 32 D 4.5191 7.5110 117.3739 53.9564 41.0743 176.5291 33 I 3.4446 6.6697 121.6077 60.0083 37.4523 174.2564 34 P 4.1329 0.0000 0.0000 63.2770 31.5569 176.8325 35 D 4.4418 8.5670 121.1643 55.8390 40.9339 176.6258 36 D 4.6389 7.8130 117.6118 53.0575 40.2784 176.6547 37 W 4.3200 8.1311 130.8159 57.6494 31.2068 175.2165 38 V 4.2455 6.8715 115.9056 58.7276 35.1051 175.1021 39 C 3.5230 8.6553 122.2409 59.0658 31.7577 173.1824 40 P 4.0452 0.0000 0.0000 65.4442 31.2018 177.8096 41 L 4.1040 7.3669 117.1346 56.9917 41.9198 177.4289 42 C 4.4189 7.9179 110.3312 57.4749 31.0862 174.8333 43 G 3.8232 8.3113 108.6853 45.2194 0.0000 174.1146 44 V 3.8402 7.3645 113.1512 60.5063 32.6071 176.1622 45 G 4.1434 8.3619 111.6136 44.8922 0.0000 174.8008 46 K 4.3845 8.6670 118.0686 59.0200 32.0722 179.0273 47 D 4.6299 8.2971 116.9407 55.2123 39.6167 176.4686 48 E 4.5537 8.5491 119.6225 56.3277 29.7800 175.6740 49 F 5.1032 8.5247 118.4056 56.8612 40.3819 174.9199 50 E 4.9238 8.7569 121.5015 54.3881 33.7330 175.1448 51 E 3.0240 8.4747 122.4104 56.0823 30.3867 177.1877 52 V 3.8326 8.1348 125.2430 61.8432 31.4480 174.4435 53 E 4.4089 8.4061 128.6981 54.5714 30.9396 175.7152 54 E 4.1765 8.6184 124.1489 56.6191 29.7039 176.0744 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 8.30 4.50 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.79 0.00 2 K 8.53 4.55 0.00 1.79 1.75 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.59 7.81 3 K 9.25 4.67 0.00 1.68 1.71 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.45 7.81 4 Y 8.92 4.96 0.00 2.45 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.82 5.15 4.23 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 1.17 0.00 0.00 6 C 9.17 3.40 0.00 2.36 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.48 4.14 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 1.27 0.00 0.00 8 V 7.56 3.92 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 0.90 0.00 0.00 0.91 0.00 0.00 9 C 8.10 4.68 0.00 3.06 2.94 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 10 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 11 Y 7.96 4.35 0.00 2.98 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 12 I 7.80 4.78 1.72 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.83 0.00 0.00 13 Y 9.28 4.19 0.00 3.49 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.87 4.86 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.02 0.00 2.17 2.47 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 16 E 8.50 4.22 0.00 2.06 2.02 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 2.28 2.30 0.00 17 D 7.84 4.48 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.21 3.93 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 0.00 0.00 0.00 19 D 9.06 5.00 0.00 3.22 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 20 P 0.00 4.38 0.00 2.30 2.34 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 21 D 8.28 4.42 0.00 2.74 2.86 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 0.00 22 D 8.38 4.82 0.00 2.99 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 23 G 8.45 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.60 4.08 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 0.86 0.00 0.00 0.58 0.00 0.00 25 N 8.27 4.86 0.00 2.87 2.72 0.00 0.00 7.02 8.03 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 26 P 0.00 4.12 0.00 2.03 2.21 0.00 3.73 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 2.04 2.20 0.00 27 G 9.15 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 28 T 7.37 4.26 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 1.05 0.00 0.00 29 D 8.47 4.60 0.00 2.72 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 30 F 9.14 3.30 0.00 2.48 2.10 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 3.76 0.00 1.83 1.90 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 32 D 7.51 4.52 0.00 2.72 2.61 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 33 I 6.67 3.44 0.98 0.00 0.00 -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 0.31 -0.36 -0.11 0.00 0.00 34 P 0.00 4.13 0.00 2.25 1.94 0.00 3.36 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 35 D 8.57 4.44 0.00 2.62 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 36 D 7.81 4.64 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 8.13 4.32 0.00 3.07 2.98 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 38 V 6.87 4.25 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 0.81 0.00 0.00 0.64 0.00 0.00 39 C 8.66 3.52 0.00 3.03 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.05 0.00 1.84 1.99 0.00 2.77 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 2.31 0.00 41 L 7.37 4.10 0.00 1.52 1.67 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.92 4.42 0.00 3.00 2.97 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 43 G 8.31 3.82 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 0.00 0.00 0.00 44 V 7.36 3.84 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 0.95 0.00 0.00 45 G 8.36 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 46 K 8.67 4.38 0.00 1.87 1.93 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.68 7.81 47 D 8.30 4.63 0.00 2.87 2.88 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 48 E 8.55 4.55 0.00 2.12 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 2.35 2.45 0.00 49 F 8.52 5.10 0.00 3.32 2.94 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 50 E 8.76 4.92 0.00 1.87 1.75 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 2.27 2.31 0.00 51 E 8.47 3.02 0.00 1.55 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 1.47 2.06 0.00 52 V 8.13 3.83 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 0.59 0.00 0.00 0.87 0.00 0.00 53 E 8.41 4.41 0.00 1.86 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.39 0.00 54 E 8.62 4.18 0.00 1.95 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 2.32 0.00