NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6137 8.2893 120.2771 54.6360 31.9661 173.9749 2 P 4.3385 0.0000 0.0000 62.1380 32.9616 176.3545 3 R 4.2422 9.1856 120.4128 56.4658 31.9750 177.7461 4 L 5.1355 8.8672 121.7079 52.7245 44.8037 175.3968 5 K 4.5356 8.7493 126.8956 55.9516 33.3398 175.7135 6 V 4.7322 8.8046 127.1849 60.9487 34.7519 173.7242 7 K 5.1060 8.3298 129.2725 53.5135 34.7223 174.6804 8 L 4.4729 8.4888 129.9138 55.3742 42.5868 177.3384 9 V 4.7083 8.4320 116.7847 59.9272 35.0163 175.5897 10 K 4.4064 8.1809 121.9924 53.9917 33.0115 175.7856 11 S 4.1948 8.7395 121.4385 58.2774 62.7842 172.1850 12 P 4.6397 0.0000 0.0000 63.5826 31.6726 175.1822 13 I 3.8931 7.3071 120.8987 65.9271 36.5795 174.9149 14 G 3.7947 8.7349 114.6358 45.7709 0.0000 172.7955 15 Y 4.4399 7.9464 117.5838 56.0352 39.1008 173.5820 16 P 4.3751 0.0000 0.0000 62.8513 32.5040 177.3047 17 K 3.8686 8.9393 121.5212 59.9919 32.0206 178.4758 18 D 4.4273 8.2630 118.6724 56.9758 38.7730 178.6900 19 Q 3.9701 7.9389 119.0798 58.6316 28.7932 178.7989 20 K 3.9486 8.1409 118.7764 59.5246 32.1139 179.0494 21 A 4.0231 8.1424 120.7158 54.8229 18.2309 179.5650 22 A 3.9189 7.9140 119.4709 55.5154 18.4761 179.9383 23 L 3.9642 7.6941 117.3549 57.6688 41.5248 179.7428 24 K 3.8923 8.0142 119.5596 59.1890 31.8807 178.7823 25 A 3.9712 7.8163 120.2934 55.2675 18.4932 179.4532 26 L 4.1027 7.8344 115.5323 55.4673 42.3519 177.0104 27 G 3.5633 7.7620 105.8419 46.3712 0.0000 174.6033 28 L 5.3811 8.1402 118.8406 52.1268 43.3598 176.8115 29 R 3.7585 8.9769 126.3830 57.7489 28.8981 179.2628 30 R 4.3421 8.5090 121.3523 55.0226 31.9346 176.5680 31 L 4.0642 8.1428 118.8949 56.0751 42.5169 176.2982 32 Q 4.1014 8.9988 120.6409 56.8371 27.0590 172.6797 33 Q 4.4139 7.3969 119.4229 55.4709 30.2041 175.1248 34 E 4.2974 8.7162 125.6242 56.4078 31.2048 176.5367 35 R 4.2014 7.9312 117.3094 56.0143 33.8568 173.2106 36 V 4.7610 8.5268 127.4868 61.7270 32.7302 174.8847 37 L 4.9465 8.6723 126.4761 52.6495 46.5504 175.6742 38 E 4.4353 8.8058 120.2103 56.4031 30.5831 176.2229 39 D 4.8811 8.2488 117.6335 54.1582 41.8680 176.8885 40 T 4.0507 7.7826 107.5229 60.8915 70.4360 172.0894 41 P 4.2505 0.0000 0.0000 65.5976 30.9429 179.0218 42 A 3.9396 7.8517 119.1037 55.4080 18.6842 179.5219 43 I 3.6622 7.7841 118.1972 64.5205 37.0559 178.8981 44 R 3.9685 8.1818 119.0729 59.2508 29.7606 178.8976 45 G 3.9270 7.5870 104.1802 48.2657 0.0000 175.0343 46 N 4.4597 7.8713 117.9575 56.2262 38.3113 177.7947 47 V 3.6239 7.6369 118.8986 65.7119 31.4408 177.7683 48 E 3.8421 8.6146 119.7989 59.1364 29.3871 178.4386 49 K 4.3226 7.8142 115.9295 57.7638 32.3877 177.9658 50 V 4.1353 7.0178 111.9577 60.7260 32.2886 177.2722 51 A 4.0583 7.9593 127.0502 55.6112 18.1549 179.9805 52 H 4.5495 8.0611 108.3395 56.9273 29.0461 175.5120 53 L 4.4749 8.1018 120.6290 55.0650 43.9413 176.5861 54 V 4.8679 7.3508 108.8094 59.3949 35.3260 175.9010 55 R 4.4954 8.4836 121.2578 54.4577 31.8537 176.1073 56 V 4.1232 8.3217 124.1497 62.8443 32.9030 175.0688 57 E 4.6518 9.0581 124.0253 54.7421 34.0466 174.9642 58 V 3.9870 8.5399 124.4734 61.9434 31.9185 175.7752 59 V 4.0536 8.4761 127.8626 62.8275 31.6012 175.2525 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 8.29 4.61 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 P 0.00 4.34 0.00 2.29 2.07 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 3 R 9.19 4.24 0.00 1.77 1.89 0.00 3.06 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 4 L 8.87 5.14 0.00 1.73 1.55 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.75 4.54 0.00 1.86 1.67 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.38 7.81 6 V 8.80 4.73 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 0.86 0.00 0.00 0.98 0.00 0.00 7 K 8.33 5.11 0.00 1.90 1.61 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.18 7.81 8 L 8.49 4.47 0.00 1.72 1.51 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.43 4.71 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 1.12 0.00 0.00 0.99 0.00 0.00 10 K 8.18 4.41 0.00 1.78 1.69 0.00 1.98 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.53 7.81 11 S 8.74 4.19 0.00 3.90 3.83 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 12 P 0.00 4.64 0.00 2.34 2.30 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 13 I 7.31 3.89 1.89 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 1.27 0.82 0.91 0.00 0.00 14 G 8.73 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 15 Y 7.95 4.44 0.00 3.10 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 16 P 0.00 4.38 0.00 2.35 2.03 0.00 4.02 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 17 K 8.94 3.87 0.00 1.80 1.83 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.47 7.81 18 D 8.26 4.43 0.00 2.92 2.95 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 19 Q 7.94 3.97 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 20 K 8.14 3.95 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.24 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.76 7.81 21 A 8.14 4.02 1.37 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 0.00 0.00 0.00 22 A 7.91 3.92 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 23 L 7.69 3.96 0.00 1.83 1.72 0.91 1.09 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 24 K 8.01 3.89 0.00 1.85 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 A 7.82 3.97 1.37 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 0.00 0.00 0.00 26 L 7.83 4.10 0.00 1.63 1.73 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.76 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 5.38 0.00 1.66 1.62 0.96 1.12 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 29 R 8.98 3.76 0.00 1.80 1.72 0.00 3.36 0.00 0.00 3.28 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 30 R 8.51 4.34 0.00 1.92 1.96 0.00 3.04 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 31 L 8.14 4.06 0.00 1.75 1.57 0.95 0.73 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 32 Q 9.00 4.10 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 33 Q 7.40 4.41 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.03 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 34 E 8.72 4.30 0.00 1.89 1.85 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 2.30 2.24 0.00 35 R 7.93 4.20 0.00 1.78 1.74 0.00 3.12 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 36 V 8.53 4.76 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 0.85 0.00 0.00 0.93 0.00 0.00 37 L 8.67 4.95 0.00 1.57 1.47 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.81 4.44 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 39 D 8.25 4.88 0.00 2.80 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 40 T 7.78 4.05 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 1.21 0.00 0.00 41 P 0.00 4.25 0.00 2.17 2.14 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 7.85 3.94 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 43 I 7.78 3.66 1.86 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 1.52 1.21 0.94 0.00 0.00 44 R 8.18 3.97 0.00 2.05 1.96 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.01 0.00 45 G 7.59 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 46 N 7.87 4.46 0.00 2.78 2.85 0.00 0.00 6.66 7.34 0.00 0.00 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 V 7.64 3.62 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 0.97 0.00 0.00 0.97 0.00 0.00 48 E 8.61 3.84 0.00 2.08 2.13 0.00 0.00 0.00 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 2.34 0.00 49 K 7.81 4.32 0.00 1.89 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.62 7.81 50 V 7.02 4.14 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 0.69 0.00 0.00 0.91 0.00 0.00 51 A 7.96 4.06 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 52 H 8.06 4.55 0.00 3.21 3.40 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.10 4.47 0.00 1.47 1.68 0.61 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.35 4.87 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 0.64 0.00 0.00 0.91 0.00 0.00 55 R 8.48 4.50 0.00 1.70 1.83 0.00 3.27 0.00 0.00 3.08 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 56 V 8.32 4.12 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 0.76 0.00 0.00 0.91 0.00 0.00 57 E 9.06 4.65 0.00 1.99 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 2.21 2.38 0.00 58 V 8.54 3.99 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 0.74 0.00 0.00 0.93 0.00 0.00 59 V 8.48 4.05 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 0.86 0.00 0.00 0.93 0.00 0.00