NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2653 8.3049 120.3115 56.2133 33.5755 175.3133 2 D 4.2199 8.7671 124.5282 55.2261 38.2566 173.1279 3 Q 4.0828 8.3191 120.3599 58.5507 30.3136 177.9247 4 V 3.9007 7.7412 114.7600 62.2225 32.8989 172.7901 5 M 3.0058 9.7554 119.7026 55.7777 29.5123 174.4121 6 Q 4.4670 7.5722 124.3103 54.6840 32.1155 174.6774 7 F 4.4683 7.8766 115.1286 58.7034 38.1447 177.1951 8 V 3.8372 6.8889 121.1783 64.2135 31.8796 178.2386 9 E 3.9503 7.5874 119.4908 58.6565 29.0723 176.4318 10 P 4.5193 0.0000 0.0000 64.4028 32.3406 178.0725 11 S 4.3607 7.8792 113.2129 61.4265 61.9246 176.0103 12 R 3.9312 7.9209 120.4557 59.4185 29.5716 178.8863 13 Q 3.8853 7.7335 117.2362 58.9453 28.7877 178.5866 14 F 4.3459 7.2728 115.5222 60.2275 38.9153 178.0085 15 V 3.7000 7.9883 118.4007 65.8593 31.0598 178.1700 16 K 4.0000 7.6124 117.4151 59.3850 32.2210 178.5419 17 D 4.4697 7.7879 118.0616 57.4252 41.3564 178.2979 18 S 4.1856 8.1629 113.7262 61.2850 61.2467 175.9166 19 I 3.8024 7.9007 121.4694 63.7813 37.7572 178.1998 20 R 4.0641 7.8944 118.8858 58.9977 29.8081 178.4898 21 L 4.0249 7.2162 118.3845 58.2876 42.2000 179.1748 22 V 3.8013 7.5210 110.9054 64.1204 31.5328 178.4136 23 K 4.1839 7.4713 114.8489 58.4794 32.0595 178.0275 24 R 4.4761 7.3703 114.3597 55.9403 30.6705 175.6856 25 C 4.9177 7.7272 115.3680 58.1604 31.0300 172.9482 26 T 4.6585 7.9242 115.6287 60.0309 70.2585 173.5214 27 K 4.1586 8.2865 124.4702 55.0825 32.7617 175.3010 28 P 3.8041 0.0000 0.0000 63.3670 31.4751 176.2170 29 D 4.2457 8.3659 123.7735 53.1675 40.0306 178.9668 30 R 3.4913 8.3392 118.9755 57.9036 30.8843 178.8280 31 K 3.9332 7.8507 117.0393 59.4775 31.8207 177.8139 32 E 4.3392 7.7935 116.2703 57.0867 29.6281 178.6073 33 F 4.4854 7.5905 118.5384 60.7459 39.0775 177.3385 34 Q 4.0124 8.1638 118.7910 58.8238 28.9578 177.8034 35 K 3.9735 8.1616 121.1309 59.4660 32.1666 178.9313 36 I 3.7569 7.5369 112.0319 63.8647 37.3187 178.0887 37 A 3.9731 7.4342 121.2739 55.0458 18.2940 178.9815 38 M 4.1175 8.0189 115.4939 58.7694 32.4252 178.0390 39 A 4.1416 7.8295 119.7991 54.8697 19.0554 178.6047 40 T 4.5362 8.0370 116.6206 61.0150 68.4348 176.4903 41 A 3.9040 8.9677 130.3318 55.1918 18.0556 179.4404 42 I 3.8947 7.6700 114.5197 64.4470 36.9210 178.8960 43 G 3.6762 7.9655 106.1533 47.4499 0.0000 175.5386 44 F 4.4357 8.1254 122.3724 61.0306 39.5277 177.0991 45 A 3.3798 8.1030 120.5188 54.9219 18.1914 179.4924 46 I 3.6972 7.6697 117.2060 64.4317 36.7334 178.0439 47 M 4.1010 7.5245 119.8559 58.3611 31.2953 179.0193 48 G 3.4685 7.3561 104.6323 47.0607 0.0000 175.2758 49 F 4.3887 7.6719 119.1471 58.7166 39.3487 178.1748 50 I 3.7547 7.5555 113.7268 63.9069 37.2177 178.5625 51 G 3.6976 7.3322 104.0657 47.1566 0.0000 175.2414 52 F 4.5143 7.7442 122.8063 61.3444 38.8800 177.3418 53 F 4.7609 8.1904 117.5772 60.5099 38.4476 178.1594 54 V 3.6661 7.6709 111.2219 64.2161 31.0332 178.4795 55 K 4.0146 7.7782 119.5655 59.0081 31.7404 178.6514 56 L 4.0483 7.4561 119.5632 58.1433 42.0633 178.7684 57 I 3.8747 7.1785 118.5320 64.6727 37.2383 177.9174 58 H 4.5293 7.8566 116.5460 58.8800 28.2458 177.5985 59 I 3.6516 7.4964 119.5807 63.4850 37.9782 175.2069 60 P 5.4688 0.0000 0.0000 62.2523 31.4346 177.0168 61 I 3.8992 7.3959 121.0502 64.4543 37.2456 177.4521 62 N 4.4924 7.8149 115.7180 55.3639 37.6127 175.1515 63 N 4.8080 7.8928 117.3705 51.2484 42.2736 173.0547 64 I 4.0212 8.4705 126.4222 61.2925 38.2909 175.1527 65 I 4.6248 8.1389 119.2818 60.5751 38.9404 176.2627 66 V 4.2314 7.9822 115.9146 61.3013 35.2722 173.7549 67 G 4.1243 8.4534 107.5568 45.6267 0.0000 173.7954 68 G 3.7448 8.3036 108.0364 46.3195 0.0000 172.9977 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 4.27 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 2 D 8.77 4.22 0.00 2.87 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 3 Q 8.32 4.08 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 4 V 7.74 3.90 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 0.75 0.00 0.00 0.89 0.00 0.00 5 M 9.76 3.01 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 6 Q 7.57 4.47 0.00 1.91 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.71 0.00 0.00 0.00 0.00 0.00 1.28 1.98 0.00 7 F 7.88 4.47 0.00 3.24 3.23 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 8 V 6.89 3.84 1.78 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 0.64 0.00 0.00 0.90 0.00 0.00 9 E 7.59 3.95 0.00 2.18 2.06 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 2.23 2.48 0.00 10 P 0.00 4.52 0.00 2.34 2.33 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.02 0.00 11 S 7.88 4.36 0.00 4.24 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 12 R 7.92 3.93 0.00 1.83 1.93 0.00 3.32 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 13 Q 7.73 3.89 0.00 1.56 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 14 F 7.27 4.35 0.00 3.37 3.02 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 15 V 7.99 3.70 2.28 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 1.06 0.00 0.00 1.02 0.00 0.00 16 K 7.61 4.00 0.00 1.88 1.86 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.66 7.81 17 D 7.79 4.47 0.00 2.92 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 18 S 8.16 4.19 0.00 4.18 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 19 I 7.90 3.80 2.08 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 1.53 1.07 0.92 0.00 0.00 20 R 7.89 4.06 0.00 2.01 1.96 0.00 3.19 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 21 L 7.22 4.02 0.00 1.78 1.92 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.52 3.80 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 0.99 0.00 0.00 23 K 7.47 4.18 0.00 1.71 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 24 R 7.37 4.48 0.00 1.92 1.94 0.00 3.10 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 25 C 7.73 4.92 0.00 2.97 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 26 T 7.92 4.66 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 1.22 0.00 0.00 27 K 8.29 4.16 0.00 1.66 1.62 0.00 1.98 0.00 0.00 2.01 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.49 7.81 28 P 0.00 3.80 0.00 1.40 1.95 0.00 3.54 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 29 D 8.37 4.25 0.00 2.66 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 30 R 8.34 3.49 0.00 1.97 2.05 0.00 3.18 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 31 K 7.85 3.93 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.55 7.81 32 E 7.79 4.34 0.00 1.96 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 2.34 0.00 33 F 7.59 4.49 0.00 3.30 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 4.01 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 35 K 8.16 3.97 0.00 2.04 1.79 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.45 7.81 36 I 7.54 3.76 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.98 0.95 0.00 0.00 37 A 7.43 3.97 1.44 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 38 M 8.02 4.12 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 39 A 7.83 4.14 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 0.00 0.00 0.00 0.00 0.00 40 T 8.04 4.54 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 1.27 0.00 0.00 41 A 8.97 3.90 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 3.89 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.59 0.97 0.00 0.00 43 G 7.97 3.68 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 0.00 0.00 0.00 44 F 8.13 4.44 0.00 2.95 3.18 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 0.00 0.00 0.00 45 A 8.10 3.38 1.26 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 0.00 0.00 0.00 46 I 7.67 3.70 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.98 0.00 0.00 47 M 7.52 4.10 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.82 0.00 48 G 7.36 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.67 4.39 0.00 2.81 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 0.00 0.00 0.00 50 I 7.56 3.75 1.92 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 1.69 0.84 1.04 0.00 0.00 51 G 7.33 3.70 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 0.00 0.00 0.00 52 F 7.74 4.51 0.00 3.11 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 53 F 8.19 4.76 0.00 3.30 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 54 V 7.67 3.67 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 0.92 0.00 0.00 1.05 0.00 0.00 55 K 7.78 4.01 0.00 1.98 2.16 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.52 7.81 56 L 7.46 4.05 0.00 1.74 1.93 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.18 3.87 1.87 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 1.47 0.90 0.96 0.00 0.00 58 H 7.86 4.53 0.00 3.22 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.50 3.65 1.91 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 1.32 1.37 0.94 0.00 0.00 60 P 0.00 5.47 0.00 2.10 2.10 0.00 3.97 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.07 0.00 61 I 7.40 3.90 1.89 0.00 0.00 0.90 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 0.74 0.92 0.00 0.00 62 N 7.81 4.49 0.00 2.85 2.95 0.00 0.00 6.78 7.92 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 63 N 7.89 4.81 0.00 2.74 2.65 0.00 0.00 6.90 7.71 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 64 I 8.47 4.02 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 1.01 0.91 0.00 0.00 65 I 8.14 4.62 1.88 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 1.48 0.85 0.97 0.00 0.00 66 V 7.98 4.23 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 0.63 0.00 0.00 0.91 0.00 0.00 67 G 8.45 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.30 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00