NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.3419 8.1749 110.9358 60.8434 70.4035 174.2842 7 C 4.5169 7.7930 116.3803 56.2061 44.1089 172.5650 8 I 4.0173 8.2597 124.5178 60.4376 39.5163 174.1557 9 G 3.5141 7.9378 111.7535 45.3030 0.0000 173.7017 10 H 4.2675 7.8725 111.8954 54.9413 32.5411 173.7955 11 Y 3.4641 8.9120 122.2969 58.7744 35.1281 168.8219 12 Q 4.6473 7.3895 121.6667 54.0526 32.4752 175.3200 13 K 4.6492 8.7334 125.7767 55.9343 32.3405 175.3645 14 C 5.0004 8.2390 121.2779 54.4588 41.8275 176.2670 15 V 3.6347 8.3105 119.3275 66.4319 31.3895 177.2045 16 N 4.9311 7.7291 115.3884 52.2381 39.2595 174.8821 17 A 4.3745 7.6542 119.3277 51.2843 22.1326 175.5952 18 D 4.8786 8.6789 123.0552 52.5672 41.9860 175.4762 19 K 4.8493 8.1775 125.1555 53.5712 36.7666 174.4236 20 P 4.2839 0.0000 0.0000 63.1622 32.4399 176.2442 21 C 4.4835 8.8321 123.1587 55.7231 39.6073 174.1739 22 C 4.4532 8.7012 123.5006 56.8658 43.9404 172.9562 23 S 5.1122 8.3366 119.6347 57.4033 65.4929 174.6233 24 K 4.6880 9.7554 120.7590 55.1999 34.3091 175.2394 25 T 4.8316 8.3906 114.2518 59.7945 71.2234 174.1088 26 V 4.0517 7.5843 122.2330 61.7224 32.7952 177.1287 27 R 4.2118 8.5384 127.1004 56.0028 28.0457 175.1170 28 Y 4.9602 8.0246 118.7349 55.9662 41.6027 176.2008 29 G 3.8341 9.0294 110.1927 47.4150 0.0000 173.9453 30 D 4.6458 7.8151 117.6787 52.9121 42.8950 176.5128 31 S 3.6848 8.4791 121.0267 57.8975 61.9331 172.3677 32 K 4.4370 8.1778 118.5224 55.1584 32.0357 175.5381 33 N 4.9546 8.3546 124.2439 51.6161 38.3338 172.1802 34 V 4.4268 7.7382 113.7485 59.5842 34.0439 175.6390 35 R 4.3425 8.5154 125.3742 55.0147 31.7662 175.6069 36 K 4.6133 8.9155 128.5398 56.0976 35.4918 175.2824 37 F 5.2099 8.3667 117.8492 57.3390 42.7610 174.0306 38 I 4.5571 8.7178 116.9251 59.2074 41.4291 174.2563 39 C 4.7399 8.5851 121.0199 55.9483 35.6282 172.3181 40 D 4.6537 8.6439 124.8673 52.7148 42.4301 176.9308 41 R 4.4926 8.4027 123.7731 56.3186 30.7657 176.9278 42 D 4.5128 8.2031 120.2408 56.6148 41.0989 178.0479 43 G 3.8631 7.6462 107.2233 46.6626 0.0000 175.6119 44 E 4.4975 8.0161 118.1993 54.4361 30.4543 175.4237 45 G 3.8770 8.3651 104.8126 47.7749 0.0000 173.1386 46 V 4.8263 7.8133 118.5848 61.3097 36.4427 174.6865 47 C 5.4971 9.5651 126.9409 55.1865 44.5184 172.8383 48 V 4.4478 7.9343 119.3051 58.3494 34.5035 173.7500 49 P 3.5011 0.0000 0.0000 63.6046 32.2035 175.1739 50 F 4.3173 8.2957 121.9331 58.9669 42.7911 172.1804 51 D 4.8159 8.4508 116.9721 54.4099 47.3800 175.3878 52 G 3.7823 7.4114 111.8382 46.1026 0.0000 172.6124 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 6 T 8.17 4.34 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 1.20 0.00 0.00 7 C 7.79 4.52 0.00 2.99 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 8 I 8.26 4.02 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.66 0.70 0.00 0.00 9 G 7.94 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.87 4.27 0.00 3.69 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.91 3.46 0.00 3.13 3.15 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 12 Q 7.39 4.65 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.91 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 13 K 8.73 4.65 0.00 1.69 1.78 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 14 C 8.24 5.00 0.00 3.13 3.10 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 0.00 0.00 0.00 0.00 15 V 8.31 3.63 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 0.77 0.00 0.00 0.98 0.00 0.00 16 N 7.73 4.93 0.00 2.73 2.79 0.00 0.00 6.63 7.34 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 17 A 7.65 4.37 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.68 4.88 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.18 4.85 0.00 1.59 1.60 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.39 7.81 20 P 0.00 4.28 0.00 2.10 2.19 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 21 C 8.83 4.48 0.00 2.93 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 0.00 22 C 8.70 4.45 0.00 3.06 3.02 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 23 S 8.34 5.11 0.00 3.87 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 24 K 9.76 4.69 0.00 1.99 1.86 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.30 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.50 7.81 25 T 8.39 4.83 4.28 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 1.25 0.00 0.00 26 V 7.58 4.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.99 0.00 0.00 27 R 8.54 4.21 0.00 1.74 1.80 0.00 3.24 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 28 Y 8.02 4.96 0.00 2.96 2.74 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 29 G 9.03 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.82 4.65 0.00 2.60 2.49 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 31 S 8.48 3.68 0.00 3.93 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 32 K 8.18 4.44 0.00 1.67 1.71 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.39 7.81 33 N 8.35 4.95 0.00 2.81 2.75 0.00 0.00 7.13 7.75 0.00 0.00 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 V 7.74 4.43 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 0.75 0.00 0.00 0.99 0.00 0.00 35 R 8.52 4.34 0.00 1.92 1.94 0.00 3.04 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.42 0.00 36 K 8.92 4.61 0.00 1.88 1.85 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.62 7.81 37 F 8.37 5.21 0.00 3.13 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 38 I 8.72 4.56 1.43 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.04 0.61 0.00 0.00 39 C 8.59 4.74 0.00 2.81 3.05 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 0.00 0.00 0.00 0.00 40 D 8.64 4.65 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.40 4.49 0.00 1.80 1.88 0.00 3.24 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 42 D 8.20 4.51 0.00 2.89 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 43 G 7.65 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 44 E 8.02 4.50 0.00 2.06 1.99 0.00 0.00 0.00 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 2.31 0.00 45 G 8.37 3.88 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 0.00 0.00 0.00 46 V 7.81 4.83 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.98 0.00 0.00 47 C 9.57 5.50 0.00 2.95 3.02 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 48 V 7.93 4.45 1.74 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 -0.19 0.00 0.00 0.86 0.00 0.00 49 P 0.00 3.50 0.00 1.77 1.55 0.00 3.55 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 50 F 8.30 4.32 0.00 2.96 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 51 D 8.45 4.82 0.00 2.46 2.35 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 52 G 7.41 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00