NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7153 8.4249 118.2181 52.5511 39.1645 174.1949 3 Q 4.3618 7.7500 116.6074 55.4497 29.0746 175.9488 4 G 3.8120 9.0178 110.9165 48.3779 0.0000 174.5552 5 K 4.4116 7.8711 118.0216 56.2911 32.4557 178.2616 6 I 3.4497 7.6472 122.6297 63.7307 37.8360 177.4451 7 W 5.3876 7.7637 116.3434 57.0867 28.7943 176.6517 8 T 4.3436 7.7420 109.5650 62.6653 69.0386 176.0753 9 V 4.1112 7.7604 113.8462 61.3695 33.6342 175.8714 10 V 4.2273 7.6911 120.2253 60.5416 32.8497 173.9767 11 N 4.6094 8.8193 125.7448 53.0568 39.7747 173.5235 12 P 4.1695 0.0000 0.0000 65.0897 31.1304 177.8374 13 A 4.0489 8.7241 120.5644 54.1019 18.4948 178.4831 14 I 4.2846 7.6260 117.2722 63.4358 38.5045 177.9245 15 G 4.1205 8.3604 106.5347 48.2064 0.0000 175.6895 16 I 3.7647 7.6487 121.2555 63.8179 37.2403 176.7493 17 P 4.2701 0.0000 0.0000 65.3762 31.0884 178.5370 18 A 4.0507 8.1323 119.7882 54.9409 18.2982 179.4733 19 L 3.9326 7.9900 118.8154 58.4286 42.2892 179.2674 20 L 4.1428 8.0909 119.1246 57.6869 41.5179 179.7910 21 G 3.6292 8.6632 106.1626 47.9244 0.0000 176.0280 22 S 4.1760 8.4298 117.9908 61.3252 62.8439 176.9652 23 V 3.6583 8.0140 121.0126 66.1527 31.2129 178.3358 24 T 3.8745 7.8334 115.1716 66.5566 68.3015 176.7908 25 V 3.6181 7.7689 120.1645 66.2010 31.4467 178.1184 26 I 3.7228 7.8758 119.2710 64.3388 36.9791 178.3083 27 A 4.0676 8.0780 121.6640 55.1660 18.1295 179.8261 28 I 3.7649 8.0343 118.4450 64.3525 37.1076 178.6026 29 L 3.9845 8.1198 119.8812 57.9598 41.5438 179.5629 30 V 3.6206 8.0706 118.2938 66.4771 31.3462 177.7996 31 H 4.2614 8.2452 115.1909 59.0231 28.6759 177.8210 32 L 4.0162 8.3017 120.6774 57.6010 41.1824 179.4919 33 A 4.0056 8.1896 120.2341 55.3758 18.7850 179.4948 34 I 3.7450 7.8210 118.3831 64.3477 36.9025 178.4489 35 L 3.4976 7.7888 120.4253 57.7304 41.8989 178.5025 36 S 4.3803 7.6420 112.7160 59.4147 63.0694 174.3616 37 H 4.8576 7.5750 117.1756 55.1128 29.7031 173.1078 38 T 4.6119 7.3288 108.2994 60.1029 71.7576 173.5939 39 T 4.2135 8.1989 111.9970 63.1882 70.1587 177.1487 40 W 4.3447 7.9339 119.9783 59.2208 28.2408 178.1036 41 F 4.2709 7.0573 121.4370 60.8496 38.8539 175.3976 42 P 3.9381 0.0000 0.0000 65.3765 31.1468 178.4270 43 A 4.1053 8.1098 119.6960 55.2157 18.0237 178.9282 44 Y 4.3601 8.0173 117.4210 60.9800 38.9597 178.2695 45 W 4.4070 7.7295 117.3965 59.6903 29.2531 178.2146 46 Q 4.2057 8.1584 117.4923 57.7135 28.5009 178.0336 47 G 3.7913 8.1388 107.1970 44.1678 0.0000 173.0576 48 G 3.8969 8.2739 105.4044 45.3149 0.0000 173.9683 49 V 3.8121 8.4463 121.2423 62.3687 32.0931 169.8994 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 3.76 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 7.58 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 4.34 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 8.27 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