NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2275 8.1801 120.6294 54.5286 43.0619 175.5902 2 A 4.4643 8.5645 125.7893 49.7638 20.7558 173.9285 3 A 4.7765 8.5998 125.2417 50.2370 23.2840 173.3700 4 V 4.3305 8.2715 119.3634 61.2382 32.6082 175.3155 5 S 4.8199 8.5490 120.4309 56.4634 66.2639 172.9500 6 V 4.3943 8.1659 119.8254 60.9658 33.3499 174.3569 7 D 4.6499 8.7749 126.7485 54.0011 41.0775 176.0358 8 C 4.9438 8.6452 123.9283 56.8154 40.6173 176.0427 9 S 4.1438 8.6982 116.5467 60.4240 62.8389 174.5904 10 E 4.5350 8.2683 119.6378 56.2665 29.5185 174.8820 11 Y 4.4786 7.2679 114.8022 55.1879 40.5281 174.0536 12 P 4.7598 0.0000 0.0000 62.5035 32.4714 175.5335 13 K 4.6560 8.2564 117.2773 53.7129 35.2765 174.9715 14 P 4.3274 0.0000 0.0000 65.6580 31.4863 176.5282 15 A 4.5799 7.3941 116.9286 51.5643 21.7284 175.6091 16 C 5.1605 8.3868 116.7340 53.9836 43.3099 172.6693 17 P 4.5214 0.0000 0.0000 63.0397 31.3101 176.2848 18 K 4.2645 8.4236 118.8561 56.4711 32.6168 176.4067 19 D 4.3280 8.0837 117.3553 55.9682 41.0115 175.4145 20 Y 4.6755 8.5239 125.2944 57.0859 39.8181 175.6201 21 R 4.5224 8.4481 125.1047 54.9874 32.1794 171.9192 22 P 4.8167 0.0000 0.0000 62.6160 33.4464 176.5943 23 V 4.4467 8.4624 120.1654 61.2638 35.2298 173.1713 24 C 5.0009 9.0927 128.2968 55.0626 45.7947 173.4901 25 G 4.6087 9.1852 114.5637 45.5076 0.0000 174.3812 26 S 4.4516 9.2376 115.0432 59.7034 62.9438 174.6015 27 D 4.6952 8.1440 119.8482 52.6036 39.5693 175.6889 28 N 4.2125 8.0182 115.8569 54.6830 36.8889 173.6389 29 K 4.5153 8.0788 117.7223 54.8085 35.1627 174.5134 30 T 4.7114 8.2529 121.4531 61.2823 68.5219 173.0610 31 Y 4.6630 8.9214 127.8393 56.2378 39.4133 177.3310 32 S 4.2465 9.0518 119.3243 61.0321 63.6103 173.2000 33 N 5.5994 7.6434 118.6724 51.6496 40.6948 174.8493 34 K 3.9734 8.5395 120.4005 59.7393 32.1433 178.9445 35 C 4.3021 8.2915 118.2308 59.9060 38.5680 175.1420 36 N 4.3209 8.6767 118.0918 56.1738 38.0053 177.2705 37 F 3.2626 8.0127 121.5473 61.3725 39.4456 176.7302 38 C 3.6461 8.0929 116.3611 59.5840 39.5399 175.7776 39 N 4.2076 7.8947 117.3656 56.2135 38.1360 176.9557 40 A 4.0387 7.5542 122.2524 54.8437 18.4349 179.8262 41 V 3.2820 7.3019 117.0358 66.1380 31.3635 178.5860 42 V 3.7202 7.6043 110.1082 63.2157 31.5319 177.1852 43 E 4.2931 7.7323 117.5094 57.2262 29.7963 177.1860 44 S 4.2692 8.1500 113.2464 59.8945 64.4215 174.1657 45 N 4.2550 8.0685 114.7136 53.2238 34.9885 173.1197 46 G 4.0762 8.2469 112.0528 45.4027 0.0000 172.5702 47 T 4.1331 7.5762 108.5760 62.5947 69.5760 174.7284 48 L 4.4640 7.5628 124.1452 53.7807 43.2624 174.9188 49 T 4.7822 8.5403 119.3973 60.1564 71.7783 171.8984 50 L 4.0491 8.6320 124.7648 55.5132 42.1542 175.4344 51 N 4.7753 8.7036 125.5666 54.7870 39.6966 174.1897 52 H 4.6182 7.1027 111.2755 54.5433 31.8521 172.3862 53 F 4.3224 8.6514 117.8473 58.2473 39.4066 176.6111 54 G 4.0176 8.7096 109.6763 44.6100 0.0000 173.3739 55 K 3.9594 8.3097 119.4210 56.4773 32.6597 177.1871 56 C 4.5401 8.6645 120.6354 57.4291 41.1062 173.6589 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 L 8.18 4.23 0.00 1.66 1.68 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.56 4.46 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 3 A 8.60 4.78 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.27 4.33 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 1.16 0.00 0.00 0.99 0.00 0.00 5 S 8.55 4.82 0.00 4.00 3.82 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 6 V 8.17 4.39 2.19 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 0.94 0.00 0.00 0.72 0.00 0.00 7 D 8.77 4.65 0.00 2.71 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 8 C 8.65 4.94 0.00 2.96 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 9 S 8.70 4.14 0.00 4.00 4.06 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 10 E 8.27 4.53 0.00 1.85 1.81 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 2.20 2.31 0.00 11 Y 7.27 4.48 0.00 3.17 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 12 P 0.00 4.76 0.00 2.20 2.10 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 13 K 8.26 4.66 0.00 1.73 1.65 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 0.78 7.81 14 P 0.00 4.33 0.00 2.03 2.11 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 15 A 7.39 4.58 1.21 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 16 C 8.39 5.16 0.00 3.01 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 17 P 0.00 4.52 0.00 2.22 2.10 0.00 3.83 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 2.05 2.00 0.00 18 K 8.42 4.26 0.00 1.77 1.89 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 19 D 8.08 4.33 0.00 2.75 2.70 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 20 Y 8.52 4.68 0.00 2.88 2.91 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 21 R 8.45 4.52 0.00 1.79 1.68 0.00 3.14 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 22 P 0.00 4.82 0.00 2.01 1.96 0.00 3.33 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.23 0.00 23 V 8.46 4.45 1.81 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 -0.05 0.00 0.00 0.83 0.00 0.00 24 C 9.09 5.00 0.00 2.89 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 25 G 9.19 4.61 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 0.00 0.00 0.00 26 S 9.24 4.45 0.00 3.98 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 27 D 8.14 4.70 0.00 2.85 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.02 4.21 0.00 2.85 2.92 0.00 0.00 6.67 7.77 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 29 K 8.08 4.52 0.00 1.75 1.87 0.00 1.47 0.00 0.00 1.23 0.00 0.00 2.30 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.62 1.09 7.81 30 T 8.25 4.71 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 1.19 0.00 0.00 31 Y 8.92 4.66 0.00 3.06 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 32 S 9.05 4.25 0.00 4.21 4.27 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 33 N 7.64 5.60 0.00 3.01 3.14 0.00 0.00 6.37 6.44 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 34 K 8.54 3.97 0.00 1.91 1.92 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.58 7.81 35 C 8.29 4.30 0.00 3.22 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 36 N 8.68 4.32 0.00 3.13 3.09 0.00 0.00 6.72 7.72 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 37 F 8.01 3.26 0.00 2.80 3.04 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 38 C 8.09 3.65 0.00 1.70 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 0.00 0.00 0.00 39 N 7.89 4.21 0.00 2.93 2.91 0.00 0.00 7.00 6.94 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 40 A 7.55 4.04 1.14 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 0.00 0.00 41 V 7.30 3.28 1.66 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 0.79 0.00 0.00 -0.27 0.00 0.00 42 V 7.60 3.72 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 0.79 0.00 0.00 1.05 0.00 0.00 43 E 7.73 4.29 0.00 2.17 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 2.24 2.29 0.00 44 S 8.15 4.27 0.00 4.06 4.18 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 N 8.07 4.26 0.00 2.85 3.16 0.00 0.00 7.23 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 46 G 8.25 4.08 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 0.00 0.00 0.00 47 T 7.58 4.13 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 1.20 0.00 0.00 48 L 7.56 4.46 0.00 1.58 1.46 1.10 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.54 4.78 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 1.22 0.00 0.00 50 L 8.63 4.05 0.00 1.57 1.46 0.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.70 4.78 0.00 2.81 2.72 0.00 0.00 7.02 7.79 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 52 H 7.10 4.62 0.00 3.22 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.65 4.32 0.00 3.04 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 54 G 8.71 4.02 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 0.00 0.00 0.00 55 K 8.31 3.96 0.00 1.79 1.79 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.55 7.81 56 C 8.66 4.54 0.00 3.00 2.99 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