NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7155 8.4249 118.2181 52.5510 39.1635 174.1950 3 Q 4.3623 7.7502 116.6028 55.4502 29.0763 175.9497 4 G 3.8117 9.0184 110.9173 48.3778 0.0000 174.5558 5 K 4.4118 7.8711 118.0217 56.2907 32.4553 178.2607 6 I 3.4494 7.6478 122.6311 63.7320 37.8357 177.4457 7 W 5.3889 7.7640 116.3401 57.0877 28.7947 176.6528 8 T 4.3430 7.7432 109.5739 62.6705 69.0373 176.0761 9 V 4.1111 7.7606 113.8448 61.3698 33.6339 175.8721 10 V 4.2274 7.6921 120.2254 60.5421 32.8505 173.9766 11 N 4.6105 8.8191 125.7432 53.0550 39.7742 173.5240 12 P 4.1690 0.0000 0.0000 65.0898 31.1293 177.8390 13 A 4.0482 8.7240 120.5677 54.1041 18.4943 178.4844 14 I 4.2847 7.6260 117.2699 63.4367 38.5049 177.9259 15 G 4.1202 8.3605 106.5358 48.2056 0.0000 175.6901 16 I 3.7652 7.6493 121.2579 63.8185 37.2404 176.7505 17 P 4.2703 0.0000 0.0000 65.3751 31.0887 178.5368 18 A 4.0513 8.1329 119.7899 54.9414 18.2975 179.4733 19 L 3.9328 7.9909 118.8166 58.4286 42.2882 179.2686 20 L 4.1430 8.0917 119.1255 57.6845 41.5177 179.7899 21 G 3.6289 8.6636 106.1635 47.9254 0.0000 176.0276 22 S 4.1760 8.4302 117.9952 61.3249 62.8424 176.9663 23 V 3.6588 8.0150 121.0125 66.1504 31.2121 178.3366 24 T 3.8740 7.8332 115.1736 66.5565 68.3020 176.7900 25 V 3.6179 7.7683 120.1638 66.1994 31.4466 178.1156 26 I 3.7221 7.8753 119.2700 64.3419 36.9798 178.3071 27 A 4.0675 8.0781 121.6613 55.1684 18.1296 179.8259 28 I 3.7648 8.0346 118.4434 64.3524 37.1078 178.6031 29 L 3.9845 8.1198 119.8807 57.9602 41.5436 179.5634 30 V 3.6209 8.0708 118.2937 66.4766 31.3469 177.8000 31 H 4.2610 8.2452 115.1921 59.0217 28.6764 177.8202 32 L 4.0159 8.3013 120.6776 57.6033 41.1833 179.4907 33 A 4.0062 8.1898 120.2298 55.3765 18.7847 179.4964 34 I 3.7456 7.8215 118.3833 64.3450 36.9024 178.4475 35 L 3.4975 7.7898 120.4287 57.7322 41.8984 178.5044 36 S 4.3798 7.6421 112.7195 59.4178 63.0691 174.3633 37 H 4.8570 7.5746 117.1686 55.1128 29.7020 173.1085 38 T 4.6118 7.3284 108.3025 60.1022 71.7570 173.5945 39 T 4.2140 8.1985 111.9945 63.1843 70.1579 177.1481 40 W 4.3452 7.9336 119.9792 59.2189 28.2444 178.1045 41 F 4.2708 7.0587 121.4431 60.8511 38.8542 175.3966 42 P 3.9382 0.0000 0.0000 65.3770 31.1471 178.4261 43 A 4.1052 8.1101 119.6954 55.2174 18.0239 178.9266 44 Y 4.3608 8.0190 117.4197 60.9808 38.9593 178.2714 45 W 4.4066 7.7292 117.3993 59.6902 29.2537 178.2126 46 Q 4.2058 8.1578 117.4899 57.7160 28.5012 178.0385 47 G 3.7916 8.1396 107.1957 44.1655 0.0000 173.0583 48 G 3.8975 8.2757 105.4064 45.3194 0.0000 173.9698 49 V 3.8118 8.4475 121.2347 62.3653 32.0931 169.8996 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 N 8.42 4.72 0.00 2.84 2.99 0.00 0.00 5.93 6.50 0.00 0.00 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 Q 7.75 4.36 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 4 G 9.02 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 0.00 0.00 0.00 5 K 7.87 4.41 0.00 1.80 1.81 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.41 7.81 6 I 7.65 3.45 1.69 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.25 -0.39 0.00 0.00 7 W 7.76 5.39 0.00 3.37 3.23 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 0.00 8 T 7.74 4.34 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 1.29 0.00 0.00 9 V 7.76 4.11 2.05 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 0.70 0.00 0.00 0.94 0.00 0.00 10 V 7.69 4.23 2.00 0.00 0.00 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 0.00 0.00 0.84 0.00 0.00 11 N 8.82 4.61 0.00 2.86 2.78 0.00 0.00 6.95 7.71 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 12 P 0.00 4.17 0.00 1.85 1.61 0.00 3.83 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 13 A 8.72 4.05 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 14 I 7.63 4.28 2.08 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 1.61 1.11 0.96 0.00 0.00 15 G 8.36 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.65 3.77 1.82 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.06 0.83 0.00 0.00 17 P 0.00 4.27 0.00 2.16 2.10 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 18 A 8.13 4.05 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 19 L 7.99 3.93 0.00 1.99 1.99 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.09 4.14 0.00 1.76 1.71 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.66 3.63 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 0.00 0.00 0.00 22 S 8.43 4.18 0.00 4.05 3.95 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 23 V 8.01 3.66 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 1.02 0.00 0.00 24 T 7.83 3.87 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 25 V 7.77 3.62 2.24 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 1.05 0.00 0.00 1.00 0.00 0.00 26 I 7.88 3.72 2.03 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 1.48 0.74 0.94 0.00 0.00 27 A 8.08 4.07 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.03 3.76 2.05 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 1.55 0.72 0.95 0.00 0.00 29 L 8.12 3.98 0.00 1.88 1.74 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.07 3.62 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 1.03 0.00 0.00 1.01 0.00 0.00 31 H 8.25 4.26 0.00 3.66 3.56 0.00 5.87 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 32 L 8.30 4.02 0.00 1.84 1.74 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.19 4.01 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 34 I 7.82 3.75 1.92 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 1.39 1.09 0.65 0.00 0.00 35 L 7.79 3.50 0.00 1.07 1.69 -0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.64 4.38 0.00 3.97 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 37 H 7.57 4.86 0.00 3.06 3.21 0.00 5.60 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.33 4.61 3.30 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 0.94 0.00 0.00 39 T 8.20 4.21 4.26 0.00 0.00 0.00 0.00 0.00 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 40 W 7.93 4.35 0.00 3.56 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.06 4.27 0.00 1.93 2.34 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 0.00 0.00 0.00 0.00 42 P 0.00 3.94 0.00 2.10 1.94 0.00 3.55 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 43 A 8.11 4.11 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.02 4.36 0.00 3.22 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.73 4.41 0.00 3.58 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 4.21 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.66 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 47 G 8.14 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 48 G 8.28 3.90 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 49 V 8.45 3.81 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 0.74 0.00 0.00 0.96 0.00 0.00