NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 G 3.9574 8.3393 109.7213 45.2518 0.0000 173.9412 29 S 4.3570 7.4649 112.4416 55.4485 65.7623 171.9566 30 D 4.3272 9.1489 123.2635 53.8337 42.6683 177.0908 31 F 4.8590 8.1006 120.6920 57.1251 39.9044 175.1975 32 R 4.7744 8.5130 120.9255 53.8878 33.7832 175.2811 33 V 3.7765 8.1712 120.1502 64.5079 31.9643 176.5813 34 G 4.0493 9.0268 115.8688 45.0371 0.0000 173.5741 35 E 4.3502 7.9010 119.4516 56.0964 30.9373 176.0518 36 R 3.7318 8.5174 123.8827 56.0060 30.8299 175.7905 37 V 4.7511 8.4008 118.9656 59.3341 36.6382 174.5691 38 W 4.8370 8.9950 121.9782 54.9090 31.2562 176.1017 39 V 4.0870 8.7899 125.8236 62.0033 32.6919 174.8284 40 N 4.3642 8.5361 122.1438 55.3307 38.5647 175.3631 41 G 3.9362 9.3768 111.0827 44.4389 0.0000 172.2544 42 N 4.3070 7.8990 115.7237 54.5626 36.9427 174.4521 43 K 4.6178 8.1234 118.3543 54.2150 33.9058 175.7758 44 P 3.7377 0.0000 0.0000 62.6655 32.9196 175.7231 45 G 4.1948 7.5719 107.5902 45.9385 0.0000 171.5170 46 F 5.2818 8.4349 117.5424 55.2083 42.8368 175.2837 47 I 4.1632 8.6814 124.5041 61.7819 37.3537 176.4890 48 Q 4.4937 9.0070 125.0289 55.7325 31.0605 175.5247 49 F 4.9162 7.5750 120.1299 56.9863 43.1109 172.7797 50 L 4.8804 7.6825 124.0000 52.7106 45.5317 176.7788 51 G 3.7061 7.9049 110.5024 44.3040 0.0000 172.3781 52 E 4.8905 8.6136 119.3701 55.6044 30.2971 175.6301 53 T 4.7899 7.8319 109.9986 59.8853 71.9075 173.8421 54 Q 4.1520 8.7372 120.5347 58.0571 28.9356 177.9233 55 F 4.3127 7.3735 111.2594 58.6509 38.4272 174.8694 56 A 4.5166 6.1915 121.4179 50.6419 22.0900 174.0369 57 P 4.4698 0.0000 0.0000 63.0445 31.9866 177.1869 58 G 3.8024 8.5272 107.7512 44.8562 0.0000 171.9997 59 Q 4.6999 8.0944 116.8674 55.0205 29.9448 175.8170 60 W 5.3368 9.4287 121.6644 54.9107 34.2978 173.8678 61 A 5.2643 9.6074 123.6993 50.2698 21.5003 175.3701 62 G 3.8403 9.3918 111.0934 44.7662 0.0000 172.6815 63 I 4.8473 8.3566 127.1833 59.1258 41.0073 175.1994 64 V 4.4561 8.1966 126.2440 60.1541 32.6386 175.6037 65 L 4.5215 9.0482 126.7038 54.3264 41.8809 177.5891 66 D 4.4481 8.7248 121.7171 56.6067 41.0407 177.0210 67 E 4.6894 7.7173 116.7328 53.8429 32.2681 174.3860 68 P 4.7608 0.0000 0.0000 62.7519 30.3595 176.4229 69 I 4.3772 7.4583 106.7611 61.2900 38.5783 176.5641 70 G 4.1549 8.2935 109.8750 45.9091 0.0000 173.4120 71 K 4.8590 8.8894 117.1224 56.0584 34.7742 175.5821 72 N 4.9580 7.9025 116.3389 51.6473 41.3301 174.1995 73 D 4.7950 8.5673 115.4767 53.3832 40.5781 178.1030 74 G 2.9558 9.1118 107.5693 45.9445 0.0000 173.7212 75 S 5.2049 7.6405 113.2057 56.2446 65.8036 173.7956 76 V 4.1392 8.5891 120.9558 62.2177 33.9119 175.3887 77 A 3.7352 9.6702 130.1029 53.3416 15.9162 177.8779 78 G 3.8428 8.4095 106.5040 46.7310 0.0000 174.0936 79 V 4.0144 7.6691 120.7978 60.8040 32.7184 174.3562 80 R 4.5682 8.1044 127.4052 55.2164 31.2047 174.9877 81 Y 4.4262 8.6099 122.4402 58.9833 40.3209 175.1428 82 F 4.9665 7.3450 112.1896 56.1436 40.3893 171.7638 83 Q 4.9746 8.5458 120.6135 55.1549 31.8890 173.9268 84 C 4.7529 8.3434 119.3158 57.4783 33.2621 173.0740 85 E 4.2239 8.6895 118.0989 55.8857 29.5283 177.0022 86 P 4.2436 0.0000 0.0000 65.2363 31.4126 176.9375 87 L 4.6832 7.9372 116.8219 54.3659 42.4237 177.0052 88 K 4.5305 8.3328 118.3691 56.1784 34.0100 175.9845 89 G 4.6213 8.2348 109.0240 44.9111 0.0000 173.1058 90 I 5.1056 8.5220 115.5501 59.3514 41.5753 173.4638 91 F 5.4103 8.8807 121.8212 56.2473 41.3456 174.5839 92 T 5.1663 9.3115 116.8767 60.3642 71.7133 173.0535 93 R 4.0024 8.4241 123.5405 55.0135 30.7369 176.4368 94 P 4.2603 0.0000 0.0000 65.3003 31.5000 177.8506 95 S 4.3355 7.9874 111.3036 59.9870 63.8919 174.5355 96 K 4.2996 8.0433 123.9928 55.8475 31.5267 175.2970 *98 T 4.6552 7.3471 108.9411 61.9323 70.1994 173.0932 99 R 5.0913 8.3643 120.2262 54.6731 32.5218 176.8951 100 K 4.1191 8.4158 117.2053 56.7821 32.8316 176.5402 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 28 G 8.34 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 29 S 7.46 4.36 0.00 3.97 3.75 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 30 D 9.15 4.33 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.10 4.86 0.00 3.11 2.85 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 32 R 8.51 4.77 0.00 1.88 1.80 0.00 3.16 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 33 V 8.17 3.78 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 0.78 0.00 0.00 0.91 0.00 0.00 34 G 9.03 4.05 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 0.00 0.00 0.00 35 E 7.90 4.35 0.00 2.18 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 2.42 2.34 0.00 36 R 8.52 3.73 0.00 1.58 1.78 0.00 2.31 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 37 V 8.40 4.75 1.92 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 0.43 0.00 0.00 0.71 0.00 0.00 38 W 9.00 4.84 0.00 3.11 3.19 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 0.00 0.00 0.00 0.00 39 V 8.79 4.09 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 0.98 0.00 0.00 0.86 0.00 0.00 40 N 8.54 4.36 0.00 2.67 2.84 0.00 0.00 7.22 7.81 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 41 G 9.38 3.94 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 0.00 0.00 0.00 42 N 7.90 4.31 0.00 2.90 3.01 0.00 0.00 7.02 6.68 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 43 K 8.12 4.62 0.00 1.71 1.71 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.53 7.81 44 P 0.00 3.74 0.00 1.23 0.49 0.00 3.65 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 1.79 1.74 0.00 45 G 7.57 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.43 5.28 0.00 2.94 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 47 I 8.68 4.16 1.96 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.71 0.84 0.00 0.00 48 Q 9.01 4.49 0.00 0.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 49 F 7.57 4.92 0.00 3.28 2.83 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 50 L 7.68 4.88 0.00 1.32 1.40 0.95 0.90 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 51 G 7.90 3.71 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 0.00 0.00 0.00 52 E 8.61 4.89 0.00 2.07 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 2.56 2.32 0.00 53 T 7.83 4.79 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 0.57 0.00 0.00 54 Q 8.74 4.15 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 55 F 7.37 4.31 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 6.19 4.52 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.12 2.06 0.00 3.90 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 2.09 2.13 0.00 58 G 8.53 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 59 Q 8.09 4.70 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 60 W 9.43 5.34 0.00 3.57 3.41 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 61 A 9.61 5.26 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 62 G 9.39 3.84 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 0.00 0.00 0.00 63 I 8.36 4.85 1.74 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.86 0.75 0.00 0.00 64 V 8.20 4.46 2.16 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 0.80 0.00 0.00 0.99 0.00 0.00 65 L 9.05 4.52 0.00 1.62 1.59 0.91 0.87 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 66 D 8.72 4.45 0.00 2.55 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 67 E 7.72 4.69 0.00 1.92 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 2.20 2.20 0.00 68 P 0.00 4.76 0.00 2.18 2.10 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 69 I 7.46 4.38 1.88 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 1.51 0.71 0.91 0.00 0.00 70 G 8.29 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 71 K 8.89 4.86 0.00 1.57 1.78 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.35 7.81 72 N 7.90 4.96 0.00 2.86 2.87 0.00 0.00 5.91 8.07 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 73 D 8.57 4.80 0.00 2.81 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 74 G 9.11 2.96 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 75 S 7.64 5.20 0.00 4.01 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 76 V 8.59 4.14 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 0.71 0.00 0.00 0.36 0.00 0.00 77 A 9.67 3.74 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.41 3.84 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 0.00 0.00 0.00 79 V 7.67 4.01 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 0.43 0.00 0.00 0.86 0.00 0.00 80 R 8.10 4.57 0.00 1.69 1.67 0.00 3.20 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 81 Y 8.61 4.43 0.00 3.13 2.14 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 82 F 7.35 4.97 0.00 3.29 3.25 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 0.00 83 Q 8.55 4.97 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 84 C 8.34 4.75 0.00 3.07 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.69 4.22 0.00 1.95 1.92 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 2.40 2.33 0.00 86 P 0.00 4.24 0.00 2.15 2.18 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 87 L 7.94 4.68 0.00 1.65 1.66 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.33 4.53 0.00 1.73 1.95 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.37 7.81 89 G 8.23 4.62 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 0.00 0.00 0.00 90 I 8.52 5.11 1.92 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 1.21 0.96 0.93 0.00 0.00 91 F 8.88 5.41 0.00 2.75 3.21 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 92 T 9.31 5.17 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 1.24 0.00 0.00 93 R 8.42 4.00 0.00 1.74 1.60 0.00 2.73 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.29 0.00 94 P 0.00 4.26 0.00 2.14 2.35 0.00 3.55 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 95 S 7.99 4.34 0.00 3.98 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 96 K 8.04 4.30 0.00 1.96 1.85 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.35 7.81 *98 T 7.35 4.66 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 1.29 0.00 0.00 99 R 8.36 5.09 0.00 1.89 2.01 0.00 3.17 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 100 K 8.42 4.12 0.00 1.57 1.46 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 0.84 7.81 * Residues marked with a * may have inaccurate shift predictions.