NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 L 4.3026 8.1844 122.4915 55.2431 43.2391 176.9101 16 S 4.4909 8.0679 121.4628 56.6543 62.4748 170.7668 17 E 4.4862 8.2777 118.6807 57.0134 29.9584 178.4362 18 T 4.1623 8.1555 115.4364 63.6631 67.9531 175.6538 19 F 4.3683 8.2032 121.9726 59.4558 39.8769 176.0982 20 D 4.6981 8.2144 119.3493 57.2823 41.1444 177.5276 21 D 4.4558 8.0493 118.5540 57.0609 41.3956 178.2844 22 G 3.7882 8.1570 107.5120 47.2421 0.0000 175.7747 23 T 4.0237 7.7120 110.6548 64.2324 69.0583 176.8537 24 Q 3.9473 7.8356 122.6288 59.3110 29.1169 177.9003 25 T 3.8745 7.7364 113.8431 64.8061 67.3062 176.1765 26 L 3.9046 7.7092 122.0945 58.0266 42.1650 178.6941 27 Q 3.5226 8.4541 119.9255 58.7027 28.9069 178.4972 28 G 3.5424 7.9656 106.9221 47.7253 0.0000 175.6855 29 E 3.9821 8.0766 121.1420 58.9273 29.4042 179.2242 30 L 3.9478 7.9884 120.5188 58.3438 42.0398 179.1496 31 T 3.8577 7.9010 115.6569 66.7442 68.4187 176.6691 32 L 3.9610 8.0741 120.6113 57.6470 41.6287 179.4768 33 A 4.0486 8.1728 120.8910 55.0329 18.2838 179.4890 34 L 3.6333 8.2676 119.0430 58.0159 42.0041 178.5267 35 D 4.2824 8.3136 118.2986 57.4217 41.0215 178.5307 36 K 3.9669 7.9853 118.8347 59.3743 31.8183 179.1423 37 L 3.9172 7.6755 119.3036 58.0563 42.0710 178.5241 38 A 4.0515 8.1303 120.2457 54.9249 18.3323 179.2372 39 K 4.2201 7.6398 115.9524 57.6957 34.0944 177.1823 40 N 4.9918 7.8168 117.5135 51.4092 38.8391 172.8704 41 P 4.5081 0.0000 0.0000 64.4380 32.1517 178.2735 42 S 4.2603 7.8210 114.1179 59.7162 63.1363 174.0651 43 N 4.5530 7.9871 119.8680 52.2261 39.0634 173.5098 44 P 4.3199 0.0000 0.0000 65.6312 31.4158 178.1072 45 Q 3.9819 8.3596 119.9783 59.0203 28.9656 177.9286 46 L 4.0168 8.0404 119.7436 57.3385 41.6194 179.1027 47 L 3.9881 7.7325 119.8030 58.1844 42.0791 178.7660 48 A 4.3159 8.0460 122.0934 54.7665 18.2403 179.4931 49 E 3.9119 8.5175 117.2582 59.5783 29.4627 178.9887 50 Y 3.9786 8.1819 119.6047 60.6682 38.5076 177.8204 51 Q 3.8635 8.4638 119.4060 59.1141 28.8749 179.0104 52 S 4.0542 8.1839 114.0568 61.3096 62.3554 176.1363 53 K 3.9288 8.1171 122.4276 59.2202 31.7858 178.6003 54 L 3.8113 7.8844 121.2150 58.0253 41.9630 179.1566 55 S 4.0929 8.0455 115.1365 61.5473 62.8170 176.2083 56 E 3.9624 8.1730 121.9955 59.5368 29.2952 178.2883 57 Y 4.1116 8.3489 119.7947 60.9710 38.7984 177.9896 58 T 3.7938 8.3505 117.0783 66.4184 68.5265 176.6631 59 L 3.9412 8.0008 120.8260 57.9901 41.8666 178.7728 60 Y 3.9757 7.9004 119.3217 60.9101 38.8453 178.3227 61 R 3.9299 8.1984 119.8351 59.3401 30.0874 178.2911 62 N 4.2780 8.3733 116.3296 56.0957 38.5790 177.1268 63 A 3.8950 8.3735 122.8598 55.2651 18.4925 179.7501 64 Q 3.1136 7.9266 116.3083 58.8250 28.3644 178.9671 65 S 4.0027 7.4879 115.1016 61.5075 63.2976 175.8566 66 N 4.3717 8.2275 119.6499 56.3035 37.9249 177.0444 67 T 3.8176 7.6749 117.1298 66.3374 69.2201 176.6329 68 V 4.1568 7.6144 115.0870 60.5311 29.3196 176.2535 69 K 4.5920 7.3663 116.1688 56.6034 39.3220 178.3130 70 V 3.9534 9.2183 116.9493 63.3559 31.2308 176.8926 71 I 4.0486 7.3195 118.6224 63.2994 38.4661 177.7582 72 K 3.9099 7.8431 117.9210 59.0890 31.9589 178.3439 73 D 4.4554 7.9610 117.8484 56.9115 41.3210 178.1058 74 V 3.7000 7.0284 117.5401 65.9055 31.6328 175.1871 75 D 4.4614 8.5202 121.8483 54.4481 41.0568 175.3996 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 15 L 8.18 4.30 0.00 1.63 1.68 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.07 4.49 0.00 3.94 3.72 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 17 E 8.28 4.49 0.00 2.11 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 2.45 2.33 0.00 18 T 8.16 4.16 4.30 0.00 0.00 0.00 0.00 0.00 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 19 F 8.20 4.37 0.00 3.11 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 20 D 8.21 4.70 0.00 2.90 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 21 D 8.05 4.46 0.00 2.77 2.82 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 22 G 8.16 3.79 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 0.00 0.00 0.00 23 T 7.71 4.02 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 1.89 0.00 0.00 24 Q 7.84 3.95 0.00 2.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 25 T 7.74 3.87 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 1.19 0.00 0.00 26 L 7.71 3.90 0.00 1.90 1.87 0.73 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.45 3.52 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 28 G 7.97 3.54 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 0.00 0.00 0.00 29 E 8.08 3.98 0.00 2.14 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 2.30 2.52 0.00 30 L 7.99 3.95 0.00 1.66 1.61 0.62 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.90 3.86 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 1.19 0.00 0.00 32 L 8.07 3.96 0.00 1.83 1.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.17 4.05 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 3.63 0.00 1.76 1.78 0.29 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.31 4.28 0.00 2.85 2.82 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 36 K 7.99 3.97 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.60 7.81 37 L 7.68 3.92 0.00 1.61 1.74 0.90 0.92 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 38 A 8.13 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 4.22 0.00 1.68 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.55 7.81 40 N 7.82 4.99 0.00 2.62 2.62 0.00 0.00 6.80 7.69 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 41 P 0.00 4.51 0.00 2.20 2.13 0.00 3.79 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 1.97 1.96 0.00 42 S 7.82 4.26 0.00 3.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.99 4.55 0.00 3.01 2.84 0.00 0.00 6.79 6.99 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 44 P 0.00 4.32 0.00 2.31 2.30 0.00 3.75 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 2.08 2.02 0.00 45 Q 8.36 3.98 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 46 L 8.04 4.02 0.00 1.88 1.72 1.02 0.56 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 47 L 7.73 3.99 0.00 1.79 1.86 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.05 4.32 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.52 3.91 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 50 Y 8.18 3.98 0.00 3.13 3.14 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 51 Q 8.46 3.86 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 52 S 8.18 4.05 0.00 3.87 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 53 K 8.12 3.93 0.00 1.91 1.73 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.39 7.81 54 L 7.88 3.81 0.00 1.09 1.49 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.05 4.09 0.00 4.04 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 56 E 8.17 3.96 0.00 2.15 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 0.00 2.34 2.35 0.00 57 Y 8.35 4.11 0.00 3.11 3.08 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 0.00 0.00 0.00 58 T 8.35 3.79 4.37 0.00 0.00 0.00 0.00 0.00 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 59 L 8.00 3.94 0.00 1.90 1.74 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.90 3.98 0.00 3.14 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 61 R 8.20 3.93 0.00 1.30 1.63 0.00 3.20 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 62 N 8.37 4.28 0.00 2.97 2.80 0.00 0.00 6.86 7.18 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 63 A 8.37 3.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 3.11 0.00 1.84 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 65 S 7.49 4.00 0.00 4.04 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 66 N 8.23 4.37 0.00 2.69 2.86 0.00 0.00 7.14 7.53 0.00 0.00 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 T 7.67 3.82 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 1.00 0.00 0.00 68 V 7.61 4.16 2.03 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 0.70 0.00 0.00 0.93 0.00 0.00 69 K 7.37 4.59 0.00 1.88 1.73 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.38 7.81 70 V 9.22 3.95 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.89 0.00 0.00 71 I 7.32 4.05 1.83 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 1.59 0.63 0.89 0.00 0.00 72 K 7.84 3.91 0.00 1.91 1.86 0.00 1.74 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.42 7.81 73 D 7.96 4.46 0.00 2.64 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 74 V 7.03 3.70 2.25 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 0.84 0.00 0.00 0.94 0.00 0.00 75 D 8.52 4.46 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00