NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4621 8.3193 116.7942 58.8287 64.2077 172.3571 5 S 4.4031 8.0465 116.4222 56.1566 65.7666 167.9658 6 V 4.1786 8.4634 122.4352 62.9559 32.9020 176.9290 7 K 4.7851 9.2096 130.6023 53.2790 36.3895 171.9264 8 R 4.7355 8.5251 119.8603 55.9210 30.9532 175.7807 9 W 4.8381 10.0128 135.0000 58.0511 32.4887 175.4915 10 G 4.0347 9.5841 119.4091 45.0309 0.0000 173.1170 11 N 5.1467 8.6364 116.3741 51.3925 39.0116 174.7840 12 S 4.8386 7.7473 113.8971 56.1406 66.0724 171.5732 13 P 4.9755 0.0000 0.0000 63.3975 31.9625 175.3085 14 A 4.7951 9.1175 122.3689 51.0204 23.1925 175.1106 15 V 4.6548 8.3031 119.6011 61.0522 34.0315 175.5560 16 R 4.1657 8.6444 126.5657 55.6986 30.9411 175.7773 17 I 4.3838 7.9577 122.6528 58.4877 38.9708 174.0965 18 P 4.3426 0.0000 0.0000 62.3313 32.1183 176.9480 19 A 3.9835 8.7931 122.3054 55.9375 18.1679 180.3684 20 T 3.9083 7.8602 107.3115 64.6944 68.7169 176.6046 21 L 4.0677 7.9366 122.1611 57.6771 41.6741 179.1311 22 M 4.0662 7.9348 118.3085 58.5914 32.1276 178.6878 23 Q 4.1094 8.2205 117.9732 58.7760 28.6254 178.5257 24 A 4.0756 7.8912 121.1654 54.2686 18.4460 178.6463 25 L 4.4642 7.4709 114.1367 53.3228 42.6456 176.0699 26 N 4.1752 7.7143 114.8568 54.1586 36.7039 174.2256 27 L 4.5445 8.2996 116.9491 53.5283 43.4907 176.5605 28 N 5.0661 8.6130 119.5271 50.8371 41.3439 174.3710 29 I 3.9288 7.9984 120.7186 63.3603 37.5075 176.6179 30 D 4.8071 8.9162 122.7202 54.1900 38.5825 174.5247 31 D 4.4384 7.7562 119.7474 54.2710 41.5375 175.8109 32 E 4.2894 8.6426 124.5283 56.3517 30.9110 175.7033 33 V 4.9741 8.2092 117.9888 59.6126 36.2355 174.7897 34 K 4.5057 9.2284 123.2538 55.1938 33.7109 175.4651 35 I 5.0163 8.2742 125.9628 59.8331 39.1640 174.4262 36 D 4.6700 9.1169 124.9340 53.2257 45.5797 173.2216 37 L 5.0426 8.4052 123.6291 53.2820 43.7568 175.7417 38 V 4.2978 8.7037 126.2562 62.2597 34.3358 174.9657 39 D 4.4938 9.7256 127.5713 55.6403 38.1899 174.3277 40 G 3.9704 8.4071 102.3167 45.9193 0.0000 173.7009 41 K 4.5731 7.8424 118.4451 53.9005 35.2007 174.9879 42 L 4.7357 8.4518 124.6192 54.7237 42.7509 175.6486 43 I 4.5150 9.1945 128.6241 59.8123 39.5020 174.9385 44 I 5.1193 8.3479 126.6123 59.5142 40.3227 174.4977 45 E 4.7825 8.9169 125.0897 53.5317 32.6257 173.9319 46 P 4.7384 0.0000 0.0000 62.8228 32.4960 176.7113 47 V 3.9369 8.1389 114.5873 61.7252 31.2076 176.2416 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 4 S 8.32 4.46 0.00 3.87 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 5 S 8.05 4.40 0.00 4.01 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 7 K 9.21 4.79 0.00 1.41 1.61 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.25 1.21 7.81 8 R 8.53 4.74 0.00 2.11 1.92 0.00 3.26 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 9 W 10.01 4.84 0.00 3.23 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 10 G 9.58 4.03 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 0.00 0.00 0.00 11 N 8.64 5.15 0.00 2.69 2.62 0.00 0.00 6.22 7.64 0.00 0.00 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 S 7.75 4.84 0.00 3.84 3.71 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 13 P 0.00 4.98 0.00 2.15 2.06 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 14 A 9.12 4.80 1.49 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 15 V 8.30 4.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 16 R 8.64 4.17 0.00 1.80 1.77 0.00 3.12 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 17 I 7.96 4.38 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.85 0.90 0.00 0.00 18 P 0.00 4.34 0.00 2.20 2.16 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 19 A 8.79 3.98 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.86 3.91 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 21 L 7.94 4.07 0.00 1.88 1.75 0.92 0.89 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 22 M 7.93 4.07 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.70 0.00 23 Q 8.22 4.11 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 24 A 7.89 4.08 1.38 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 0.00 0.00 25 L 7.47 4.46 0.00 1.57 1.69 0.92 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.71 4.18 0.00 2.88 2.87 0.00 0.00 6.86 7.13 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 27 L 8.30 4.54 0.00 1.69 1.59 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.61 5.07 0.00 3.12 2.69 0.00 0.00 6.72 6.87 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 29 I 8.00 3.93 1.88 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 1.41 0.73 0.93 0.00 0.00 30 D 8.92 4.81 0.00 2.87 2.92 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 31 D 7.76 4.44 0.00 2.74 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 32 E 8.64 4.29 0.00 2.10 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 2.38 2.41 0.00 33 V 8.21 4.97 2.09 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 0.86 0.00 0.00 0.95 0.00 0.00 34 K 9.23 4.51 0.00 1.65 1.73 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 35 I 8.27 5.02 1.88 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 1.24 0.57 0.92 0.00 0.00 36 D 9.12 4.67 0.00 2.75 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.41 5.04 0.00 1.67 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.70 4.30 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 0.95 0.00 0.00 0.96 0.00 0.00 39 D 9.73 4.49 0.00 3.10 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 G 8.41 3.97 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 0.00 0.00 0.00 41 K 7.84 4.57 0.00 1.93 1.67 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.56 7.81 42 L 8.45 4.74 0.00 1.66 1.59 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 43 I 9.19 4.52 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.91 0.00 0.00 44 I 8.35 5.12 1.88 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 1.41 0.61 0.92 0.00 0.00 45 E 8.92 4.78 0.00 2.01 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 0.00 2.17 2.25 0.00 46 P 0.00 4.74 0.00 1.96 2.03 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 47 V 8.14 3.94 2.09 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 0.66 0.00 0.00 0.98 0.00 0.00