NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2789 8.2649 123.5813 52.3117 20.0773 177.6057 3 S 4.4487 8.4769 123.7440 57.0746 62.1774 172.7433 4 T 4.5894 7.2924 103.9158 60.7892 70.5249 173.4800 5 S 4.4146 7.6043 115.7764 59.5119 64.3681 172.0821 6 R 4.3227 7.9631 116.1998 55.6431 32.1985 175.2092 7 L 4.7075 7.5161 120.1485 53.5256 44.3593 177.5483 8 D 4.6967 7.9446 127.2146 51.3188 39.2861 174.2249 9 A 4.1734 8.3349 128.7504 54.1305 24.7447 177.0135 10 L 3.5975 8.1069 112.8869 55.4062 38.8486 175.0633 11 P 4.6932 0.0000 0.0000 62.5908 30.2459 178.7127 12 R 4.3049 7.4103 123.3156 56.7761 30.5821 175.4782 13 V 4.2301 8.4161 116.5560 62.9816 33.7858 177.5731 14 T 3.8441 6.8985 106.9305 62.0223 72.0887 171.7291 15 C 4.4073 7.5031 121.9835 55.8479 44.1061 173.6286 16 P 4.1041 0.0000 0.0000 65.6372 31.1034 176.9740 17 N 4.5482 8.1457 116.4353 55.3267 39.0969 174.1843 18 H 4.8419 7.7164 113.3213 52.3546 28.7480 171.5970 19 P 4.4278 0.0000 0.0000 65.1488 31.4666 178.3307 20 D 4.3569 7.7494 118.4512 56.9707 41.1516 176.7797 21 A 4.0001 7.8424 122.3161 52.2866 18.7330 176.0941 22 I 4.2384 8.2063 124.7411 60.1610 37.8909 176.0930 23 L 4.1534 8.5960 127.5308 55.4311 42.1646 177.1428 24 V 4.2481 9.2097 123.9545 61.5752 33.6194 174.9192 25 E 4.1889 8.7131 125.3451 57.4002 30.4409 174.9878 26 D 4.8104 9.0350 123.8399 53.3005 38.8398 171.4939 27 Y 4.5136 8.8984 127.2674 58.1837 37.2463 175.9110 28 R 3.2969 9.6006 128.5638 56.7787 27.9964 176.4535 29 A 4.7452 8.8382 114.8214 53.8030 18.2550 179.4750 30 G 4.2146 7.4711 113.4151 46.8891 0.0000 172.7907 31 D 4.9536 8.6424 128.0074 54.5002 40.0527 176.6950 32 M 5.0079 9.3340 128.9939 55.6502 33.1713 175.1672 33 I 4.5561 8.9905 126.4466 59.6167 39.7290 173.9154 34 C 4.8078 9.1614 131.6982 55.1809 43.4589 172.2664 35 P 3.9922 0.0000 0.0000 65.2586 30.9867 176.9417 36 E 4.3686 8.4066 117.0971 58.0376 30.1486 176.6620 37 C 4.2686 8.1318 111.5826 57.5105 30.6424 174.5864 38 G 3.9213 9.8052 108.2060 45.9225 0.0000 173.6822 39 L 4.0623 7.1818 120.4980 55.4644 41.7159 175.8707 40 V 5.2658 8.1359 120.9284 60.5475 33.5377 174.7639 41 V 4.3825 8.7540 126.9440 61.2193 34.7725 173.9673 42 G 4.4345 8.8133 112.0563 43.5222 0.0000 172.2729 43 D 4.7672 8.0380 127.3429 55.2027 44.9413 179.0725 44 R 4.1493 7.4224 118.6115 55.3805 28.8738 178.3489 45 V 3.3606 9.2282 114.7035 61.7947 30.5438 170.8628 46 I 2.9345 6.9678 109.8650 62.3242 38.3464 172.6129 47 D 4.8464 8.4037 117.9827 53.0348 42.0224 175.9917 48 V 4.1795 8.2359 117.8710 61.9611 33.9764 174.8454 49 G 4.0431 8.0634 108.6601 45.8254 0.0000 171.6241 50 S 5.0366 7.9267 129.6534 58.9849 63.7961 176.6378 51 E 3.9318 8.0329 120.9586 56.3372 28.4881 175.7647 52 W 3.6100 9.2266 126.7389 53.8422 28.3070 174.7527 53 R 3.7511 8.5992 121.9689 57.2416 27.7212 174.5480 54 T 4.4664 7.6576 116.6402 62.5002 72.6825 173.9746 55 F 4.6848 7.2852 118.0818 55.7260 37.2393 174.5112 56 S 3.6553 8.3503 128.1997 58.3278 62.3714 170.4406 57 N 4.9201 8.0755 118.1979 51.8372 42.0382 173.4045 58 D 4.4998 8.3958 119.2660 55.8509 41.9447 176.1886 59 K 4.1325 7.8173 121.9517 56.5319 32.1466 176.5161 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 2 A 8.26 4.28 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.48 4.45 0.00 3.94 3.85 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 4 T 7.29 4.59 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 1.17 0.00 0.00 5 S 7.60 4.41 0.00 3.78 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 6 R 7.96 4.32 0.00 1.81 1.80 0.00 3.21 0.00 0.00 3.14 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 7 L 7.52 4.71 0.00 1.55 1.54 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.94 4.70 0.00 2.77 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 9 A 8.33 4.17 1.25 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 0.00 0.00 10 L 8.11 3.60 0.00 1.80 1.72 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.69 0.00 2.17 2.10 0.00 3.77 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 1.98 0.00 12 R 7.41 4.30 0.00 1.82 1.86 0.00 3.31 0.00 0.00 3.15 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 13 V 8.42 4.23 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 0.94 0.00 0.00 0.93 0.00 0.00 14 T 6.90 3.84 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 1.26 0.00 0.00 15 C 7.50 4.41 0.00 2.90 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 16 P 0.00 4.10 0.00 2.21 2.16 0.00 3.77 0.00 0.00 3.56 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 17 N 8.15 4.55 0.00 2.77 2.98 0.00 0.00 6.72 7.88 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 18 H 7.72 4.84 0.00 3.31 3.37 0.00 5.52 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.43 0.00 2.19 2.23 0.00 3.39 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 20 D 7.75 4.36 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 4.00 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 22 I 8.21 4.24 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 0.90 0.00 0.00 23 L 8.60 4.15 0.00 1.48 1.61 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 24 V 9.21 4.25 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 1.06 0.00 0.00 1.00 0.00 0.00 25 E 8.71 4.19 0.00 1.91 1.89 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 2.33 2.32 0.00 26 D 9.04 4.81 0.00 2.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.90 4.51 0.00 2.95 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 28 R 9.60 3.30 0.00 1.26 1.65 0.00 3.38 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 29 A 8.84 4.75 1.33 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 0.00 0.00 0.00 30 G 7.47 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 0.00 0.00 0.00 0.00 31 D 8.64 4.95 0.00 2.83 2.62 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 32 M 9.33 5.01 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 33 I 8.99 4.56 2.03 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.69 1.03 0.00 0.00 34 C 9.16 4.81 0.00 2.99 3.11 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 35 P 0.00 3.99 0.00 2.23 2.22 0.00 3.79 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 2.01 2.03 0.00 36 E 8.41 4.37 0.00 1.91 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 2.31 2.16 0.00 37 C 8.13 4.27 0.00 3.08 3.15 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 38 G 9.81 3.92 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 0.00 0.00 0.00 39 L 7.18 4.06 0.00 1.90 1.78 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.14 5.27 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 1.13 0.00 0.00 0.73 0.00 0.00 41 V 8.75 4.38 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 0.94 0.00 0.00 0.92 0.00 0.00 42 G 8.81 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.77 0.00 2.66 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 44 R 7.42 4.15 0.00 1.81 1.18 0.00 3.42 0.00 0.00 3.30 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 45 V 9.23 3.36 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 0.79 0.00 0.00 0.94 0.00 0.00 46 I 6.97 2.93 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.91 0.00 0.00 47 D 8.40 4.85 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.24 4.18 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 0.99 0.00 0.00 0.93 0.00 0.00 49 G 8.06 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.93 5.04 0.00 3.87 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 51 E 8.03 3.93 0.00 1.90 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 2.14 2.26 0.00 52 W 9.23 3.61 0.00 3.43 3.01 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 0.00 0.00 0.00 53 R 8.60 3.75 0.00 1.97 1.97 0.00 3.51 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 54 T 7.66 4.47 4.04 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 0.00 0.00 0.75 0.00 0.00 55 F 7.29 4.68 0.00 3.13 3.05 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 56 S 8.35 3.66 0.00 4.08 3.91 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 0.00 0.00 0.00 57 N 8.08 4.92 0.00 2.41 2.51 0.00 0.00 6.74 8.29 0.00 0.00 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 D 8.40 4.50 0.00 2.60 2.62 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 59 K 7.82 4.13 0.00 1.71 1.64 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.38 7.81