NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4276 8.3344 117.0966 57.3554 63.9973 173.1693 3 E 3.9270 8.8273 126.3937 55.0705 30.1360 175.1558 4 S 4.3582 10.3238 123.6605 58.4107 64.4712 175.1425 5 L 4.0392 8.6865 124.2715 57.8588 41.6838 178.1029 6 L 4.4669 7.9356 116.1801 54.9355 42.1264 177.3946 7 Y 4.2415 8.3974 122.1842 61.0646 38.5275 178.7225 8 G 3.5667 8.2550 105.8579 47.7536 0.0000 174.6048 9 Y 3.9940 7.9922 121.4309 60.7585 38.7728 178.3782 10 F 4.3439 8.1997 119.8848 59.6698 38.8909 177.5246 11 L 3.6420 7.9228 120.4790 58.0684 41.7178 178.5261 12 D 4.1887 8.2319 118.5969 57.2885 40.9502 178.4105 13 S 4.3811 7.6374 115.9753 60.4174 62.9021 176.4228 14 W 4.2650 8.2455 132.0007 60.4459 30.5145 178.0546 15 L 3.6473 8.1207 119.5637 57.2763 40.8341 178.3212 16 D 4.5238 8.2469 117.3986 53.0276 39.4410 177.6850 17 G 2.7185 6.9305 107.8333 46.0223 0.0000 174.4560 18 T 4.2384 7.8262 109.3525 61.5197 69.6465 174.6467 19 A 4.9464 7.8690 124.6612 50.2815 21.7749 175.3147 20 S 5.0954 8.2426 115.1907 56.2095 66.1248 173.9572 21 E 4.1100 9.0387 118.6947 59.6359 29.1220 179.0818 22 E 3.9646 8.0068 119.1318 59.4847 29.5980 179.1244 23 L 4.0402 7.9423 119.6550 58.0583 42.2189 178.6598 24 L 3.7324 7.7887 119.1359 57.5963 41.4330 179.4005 25 R 3.8191 8.3925 119.1046 59.4211 29.9385 178.7870 26 V 3.5279 7.6259 117.3220 65.9254 31.4616 177.8511 27 A 3.8590 7.8745 120.5247 55.0121 18.0949 179.8150 28 V 4.2240 7.8690 118.4007 65.8798 31.4191 177.9966 29 N 4.3136 8.1176 114.8774 56.2683 38.4812 176.8686 30 A 4.2241 8.1240 120.6642 52.8905 18.5200 178.4216 31 G 3.8684 7.7199 105.0791 46.0374 0.0000 174.3555 32 D 4.6916 8.2117 119.6705 55.2006 41.5895 176.5903 33 L 4.9424 7.3714 118.1833 52.2835 45.9072 175.6526 34 T 4.5801 9.0210 112.7390 60.7434 71.4340 175.8882 35 Q 3.8841 8.4261 121.8206 59.3052 28.9703 177.8371 36 E 3.9003 8.1481 119.8120 59.3655 29.5998 178.5349 37 E 4.0391 8.3577 118.3096 59.4120 29.4942 179.1660 38 A 3.8685 8.1973 120.8952 55.2865 18.1924 179.4216 39 D 4.2006 8.1607 116.6987 57.2608 41.2333 178.9460 40 K 4.1636 8.2635 119.2286 59.5718 32.1233 179.3837 41 I 3.5986 8.0401 120.3722 64.6382 36.7956 178.2088 42 M 3.0495 7.5459 117.7150 56.8621 31.7317 178.3244 43 S 4.3016 7.5894 113.7991 59.9883 63.5430 174.2144 44 Y 4.3263 7.3692 120.0766 56.3852 38.8477 173.2636 45 P 4.6063 0.0000 0.0000 61.8241 31.7916 175.7633 46 W 3.3964 8.9489 134.0367 58.3893 30.9951 175.8614 47 G 2.9034 7.7711 112.7338 45.3074 0.0000 174.9879 48 A 3.9981 7.4715 123.5548 54.3545 18.3741 179.1175 49 W 4.9025 8.1199 113.7750 56.5535 29.4382 175.7729 50 N 4.4156 7.9534 123.5085 53.8708 38.2784 174.6500 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 S 8.33 4.43 0.00 3.65 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 3 E 8.83 3.93 0.00 1.94 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 2.45 0.00 4 S 10.32 4.36 0.00 4.14 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 5 L 8.69 4.04 0.00 1.66 1.76 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.94 4.47 0.00 1.95 1.67 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.40 4.24 0.00 3.26 3.07 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 0.00 0.00 0.00 0.00 8 G 8.26 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.99 3.99 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.20 4.34 0.00 3.08 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 11 L 7.92 3.64 0.00 1.04 1.47 -0.18 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.23 4.19 0.00 2.80 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 13 S 7.64 4.38 0.00 4.05 3.77 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 14 W 8.25 4.27 0.00 3.42 3.13 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 0.00 0.00 0.00 15 L 8.12 3.65 0.00 1.39 0.81 -0.30 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.25 4.52 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 17 G 6.93 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 0.00 0.00 0.00 18 T 7.83 4.24 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 1.17 0.00 0.00 19 A 7.87 4.95 1.47 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 20 S 8.24 5.10 0.00 3.89 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 21 E 9.04 4.11 0.00 2.22 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 0.00 2.40 2.41 0.00 22 E 8.01 3.96 0.00 2.04 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 0.00 2.35 2.35 0.00 23 L 7.94 4.04 0.00 1.78 1.93 1.14 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.79 3.73 0.00 1.61 1.55 0.58 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.39 3.82 0.00 1.92 2.11 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 26 V 7.63 3.53 2.23 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 1.05 0.00 0.00 1.01 0.00 0.00 27 A 7.87 3.86 0.74 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 28 V 7.87 4.22 2.14 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 1.01 0.00 0.00 0.88 0.00 0.00 29 N 8.12 4.31 0.00 2.93 2.86 0.00 0.00 7.07 7.33 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 30 A 8.12 4.22 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 3.87 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 0.00 0.00 0.00 32 D 8.21 4.69 0.00 2.76 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.37 4.94 0.00 1.53 1.47 0.60 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 34 T 9.02 4.58 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 1.26 0.00 0.00 35 Q 8.43 3.88 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 36 E 8.15 3.90 0.00 2.05 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 0.00 2.35 2.39 0.00 37 E 8.36 4.04 0.00 2.40 2.32 0.00 0.00 0.00 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 2.32 0.00 38 A 8.20 3.87 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 39 D 8.16 4.20 0.00 2.81 2.71 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 0.00 0.00 0.00 0.00 40 K 8.26 4.16 0.00 2.13 2.04 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.74 7.81 41 I 8.04 3.60 1.68 0.00 0.00 0.58 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 0.63 0.27 0.00 0.00 42 M 7.55 3.05 0.00 1.75 1.87 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.14 0.00 43 S 7.59 4.30 0.00 4.00 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 44 Y 7.37 4.33 0.00 3.19 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 45 P 0.00 4.61 0.00 2.29 2.30 0.00 3.94 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 46 W 8.95 3.40 0.00 2.33 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 47 G 7.77 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 0.00 0.00 0.00 48 A 7.47 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.12 4.90 0.00 3.24 3.09 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 0.00 0.00 0.00 0.00 50 N 7.95 4.42 0.00 2.55 2.64 0.00 0.00 6.91 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