NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.2293 8.4449 120.3628 56.0061 30.9598 172.5081 3 Y 4.6726 8.1375 121.0803 56.2361 39.2401 172.3707 4 E 4.2576 9.3715 122.2149 56.4863 31.1562 176.1274 5 E 4.6336 8.5722 120.5252 55.0121 33.6399 174.8273 6 G 3.8426 8.7939 105.9369 43.5939 0.0000 171.3818 7 P 4.2347 0.0000 0.0000 64.1717 31.4423 177.5119 8 G 3.8625 8.8639 109.9162 45.7103 0.0000 173.7673 9 K 4.4333 8.0758 117.3225 55.9196 33.7457 176.1368 10 N 4.9254 7.8723 116.1312 52.2958 37.9482 174.5921 11 I 4.5017 7.0879 110.2799 59.3114 40.5719 173.2411 12 P 4.3609 0.0000 0.0000 63.7615 31.6852 175.8538 13 F 4.9615 7.0072 113.3066 54.9064 40.6175 174.2593 14 S 4.5930 8.4989 115.9248 57.4326 63.3101 174.1933 15 V 4.5099 7.9529 119.1995 61.1331 32.4044 176.7602 16 E 3.9747 8.1785 123.3689 58.2483 29.7295 176.9848 17 N 4.9240 7.8672 117.3168 51.0149 41.6927 174.8737 18 K 3.7362 8.4333 128.0639 59.3093 32.5681 178.8519 19 W 4.4583 7.8358 119.9310 59.2271 29.3656 178.3327 20 R 3.9901 8.8849 119.2756 59.2262 29.4297 178.3133 21 L 3.9673 8.2413 120.5602 58.1055 42.1230 178.7226 22 L 3.9417 7.8231 119.6778 57.9554 41.9990 178.8688 23 A 4.0501 8.1242 120.8211 55.3682 18.3252 179.2572 24 M 3.9985 8.1481 117.1748 59.1657 32.1065 179.0049 25 M 4.2635 8.3717 118.7734 58.7098 32.0472 179.1363 26 T 3.9933 8.1476 115.9386 66.6179 68.5870 176.8226 27 L 4.0167 8.1150 120.8925 58.2360 41.4424 178.6326 28 F 4.0611 8.7285 120.8989 61.8796 39.1314 177.1207 29 F 4.1990 9.0505 117.3356 60.2933 38.8540 178.2539 30 G 3.7201 8.5803 106.0716 47.7481 0.0000 175.9540 31 S 4.2324 8.4567 117.2241 61.0381 62.7004 176.9113 32 G 3.4901 7.4821 108.2577 47.6108 0.0000 175.2257 33 F 4.3783 8.1805 122.1121 60.8098 39.8179 176.7482 34 A 4.4587 8.7121 120.5854 54.6439 18.2402 179.0881 35 A 4.0281 8.0852 119.7438 55.3797 18.3213 178.1108 36 P 4.1056 0.0000 0.0000 65.6390 31.3063 178.8489 37 F 3.8812 7.8886 116.0634 60.6230 38.8927 177.5806 38 F 4.0078 8.4660 116.7628 60.0765 38.5902 177.9192 39 I 3.8645 7.8627 120.0073 64.0352 36.9456 178.4236 40 V 3.5202 7.9783 119.4322 65.9030 31.3341 178.0390 41 R 3.8362 8.1108 118.5505 59.6027 29.6710 177.8498 42 H 4.1345 8.0950 116.9437 59.6188 30.3245 177.0004 43 Q 4.0855 8.3797 119.8633 58.8525 28.2633 178.6687 44 L 4.1714 7.8424 119.3201 57.0243 41.7513 178.3330 45 L 4.4064 7.6233 116.6363 54.8205 41.7182 177.2947 46 K 4.2237 7.2005 118.6132 56.8310 33.2229 176.5595 47 K 3.9447 7.7179 122.7782 57.2858 32.3691 173.7547 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 H 8.44 4.23 0.00 3.04 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.14 4.67 0.00 3.16 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 4 E 9.37 4.26 0.00 1.96 1.87 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 2.34 2.27 0.00 5 E 8.57 4.63 0.00 1.88 1.79 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 2.22 2.29 0.00 6 G 8.79 3.84 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 0.00 0.00 0.00 7 P 0.00 4.23 0.00 2.02 2.00 0.00 3.73 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 2.01 2.08 0.00 8 G 8.86 3.86 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 0.00 0.00 0.00 9 K 8.08 4.43 0.00 1.72 1.77 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 10 N 7.87 4.93 0.00 2.77 2.84 0.00 0.00 5.84 7.81 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 11 I 7.09 4.50 0.79 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.28 0.66 0.00 0.00 12 P 0.00 4.36 0.00 2.21 2.17 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 13 F 7.01 4.96 0.00 3.06 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 14 S 8.50 4.59 0.00 3.84 3.81 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 0.00 0.00 0.00 15 V 7.95 4.51 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 0.88 0.00 0.00 0.87 0.00 0.00 16 E 8.18 3.97 0.00 1.93 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 2.32 2.29 0.00 17 N 7.87 4.92 0.00 2.78 2.66 0.00 0.00 6.95 7.36 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 18 K 8.43 3.74 0.00 1.53 1.73 0.00 0.81 0.00 0.00 1.06 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.74 0.21 7.81 19 W 7.84 4.46 0.00 3.60 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.88 3.99 0.00 2.06 1.97 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 21 L 8.24 3.97 0.00 1.85 1.71 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.82 3.94 0.00 1.98 1.99 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.12 4.05 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 24 M 8.15 4.00 0.00 1.96 2.29 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.95 0.00 25 M 8.37 4.26 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.48 0.00 26 T 8.15 3.99 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 1.27 0.00 0.00 27 L 8.12 4.02 0.00 1.92 1.75 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.73 4.06 0.00 2.98 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 29 F 9.05 4.20 0.00 3.34 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 30 G 8.58 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 0.00 0.00 0.00 31 S 8.46 4.23 0.00 4.00 4.15 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 32 G 7.48 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.18 4.38 0.00 3.12 3.25 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 34 A 8.71 4.46 1.55 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 0.00 0.00 35 A 8.09 4.03 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 36 P 0.00 4.11 0.00 1.60 1.82 0.00 3.72 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 1.90 2.05 0.00 37 F 7.89 3.88 0.00 3.25 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 38 F 8.47 4.01 0.00 3.23 3.17 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 39 I 7.86 3.86 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.91 0.00 0.00 40 V 7.98 3.52 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 0.94 0.00 0.00 0.80 0.00 0.00 41 R 8.11 3.84 0.00 1.76 2.02 0.00 2.99 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 42 H 8.10 4.13 0.00 3.27 3.49 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.38 4.09 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 44 L 7.84 4.17 0.00 1.73 1.70 0.90 0.88 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 45 L 7.62 4.41 0.00 1.61 1.68 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.20 4.22 0.00 1.77 1.80 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.29 7.81 47 K 7.72 3.94 0.00 1.69 1.63 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.16 1.20 7.81