NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9404 8.3549 109.7370 45.7123 0.0000 174.6003 0 S 4.7002 8.5851 120.6768 54.7315 66.2158 172.5689 1 S 3.8992 8.2059 118.1102 56.7946 64.2375 174.5212 2 G 3.4984 5.3800 105.0059 45.6319 0.0000 170.3071 3 V 5.1003 8.3637 121.7564 61.3571 34.3271 176.1288 4 R 4.6740 9.4504 126.9712 54.4158 32.8274 174.9074 5 L 5.3221 7.9864 122.1176 52.9605 44.0733 175.8604 6 W 4.9799 9.3397 121.7359 54.8248 33.1585 176.3642 7 A 4.2360 8.9852 124.7788 54.6233 19.1682 177.7424 8 T 4.9066 7.7813 103.3755 58.9144 72.2367 174.8378 9 R 3.8096 8.3151 121.4612 59.3781 29.7551 178.7618 10 Q 3.8442 7.9572 118.1641 59.0518 29.4159 177.7791 11 A 4.0703 7.7614 121.3402 55.2037 18.4639 179.0227 12 M 2.5500 7.6397 116.6614 58.4668 32.0018 178.4983 13 L 3.7870 7.5206 117.3657 57.3805 41.7269 179.4969 14 G 3.6940 7.5044 105.1834 46.5506 0.0000 174.3397 15 Q 4.5977 7.5107 117.5173 55.1614 29.9460 177.7088 16 V 3.3091 7.2906 119.3758 64.5325 31.6191 178.0728 17 H 4.0420 8.1967 117.1763 58.9021 28.5278 176.1466 18 E 4.1385 7.8893 115.8184 57.2057 29.6423 176.8132 19 V 3.6995 7.2851 119.9001 61.1693 31.6754 174.1320 20 P 4.5773 0.0000 0.0000 61.9058 32.0711 175.5555 21 E 4.2287 8.5435 119.6643 58.2336 29.7362 178.0663 22 G 4.0268 9.5696 111.6298 44.8855 0.0000 173.5453 23 W 4.5866 7.9423 119.4988 56.0712 30.6711 175.9527 24 L 5.0127 9.1662 124.1386 54.5225 43.1718 175.8598 25 I 5.3799 9.3440 122.4612 59.7117 40.8063 174.2278 26 F 5.5250 9.7415 129.1207 56.3654 42.9787 173.8560 27 V 4.6167 7.7035 125.1580 61.0136 32.9118 175.9302 28 A 3.9239 8.7584 132.4080 55.3370 18.6003 178.0495 29 E 4.0631 8.1506 115.4955 59.7153 29.5382 178.2157 30 Q 4.1526 7.9273 113.8953 55.9853 29.3126 175.4986 31 E 3.8527 7.4227 116.2630 57.6985 27.9438 174.0925 32 E 4.7471 7.5612 115.5159 54.3652 33.4241 175.4998 33 L 5.4542 8.0713 123.6391 53.7256 45.6669 174.6329 34 Y 5.5152 9.5147 122.2882 56.4024 43.2027 174.1588 35 V 5.0001 9.1425 120.8240 59.9048 34.4588 174.8158 36 R 4.5397 9.2435 125.9136 56.5262 31.2450 175.6507 37 V 4.7436 8.7160 119.1303 59.0438 36.4341 174.3547 38 Q 4.0233 8.7767 122.1863 57.9156 28.8312 175.3926 39 N 4.2394 8.9863 123.3399 52.9800 37.9684 174.3642 40 G 4.0244 6.7940 103.4670 45.9263 0.0000 171.8343 41 F 5.4149 7.6960 113.5641 55.7901 41.1713 173.9255 42 R 4.7135 9.4029 119.4905 54.0393 32.9576 175.2326 43 K 4.4070 8.8897 125.7730 56.4432 33.0281 176.1871 44 V 3.9785 8.4857 128.4104 62.1573 32.3877 175.6472 45 Q 4.0965 8.7567 127.3023 55.9625 28.8697 175.4676 46 L 4.7363 8.2417 122.7060 52.8894 44.3522 176.1527 47 E 4.3875 8.3394 120.7394 54.6495 31.1714 175.9931 48 A 4.1313 8.1576 122.4490 51.8530 18.9138 177.5065 49 R 3.9247 8.4488 121.1011 56.8822 30.5365 176.2179 50 T 4.3540 8.3632 122.5588 61.5537 69.5081 173.0721 51 P 4.4194 0.0000 0.0000 62.4489 31.9186 176.2288 52 L 4.1511 8.1818 119.6399 53.8339 42.2268 175.4395 53 P 4.1554 0.0000 0.0000 63.6445 31.7719 177.4225 54 R 4.1283 8.7089 119.8038 56.7200 29.1842 173.5224 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 -1 G 8.35 3.94 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 0.00 0.00 0.00 0 S 8.59 4.70 0.00 3.87 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 1 S 8.21 3.90 0.00 2.72 2.78 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 2 G 5.38 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.36 5.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.93 0.00 0.00 4 R 9.45 4.67 0.00 1.80 1.04 0.00 2.95 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 5 L 7.99 5.32 0.00 1.40 1.65 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 6 W 9.34 4.98 0.00 3.25 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.99 4.24 1.34 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 0.00 0.00 8 T 7.78 4.91 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 1.23 0.00 0.00 9 R 8.32 3.81 0.00 2.14 1.93 0.00 3.16 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 10 Q 7.96 3.84 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 11 A 7.76 4.07 1.46 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 0.00 0.00 12 M 7.64 2.55 0.00 1.72 1.81 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.04 0.00 13 L 7.52 3.79 0.00 1.49 1.60 0.86 0.94 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 14 G 7.50 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.51 4.60 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 16 V 7.29 3.31 1.58 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 0.58 0.00 0.00 0.40 0.00 0.00 17 H 8.20 4.04 0.00 3.09 3.40 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.89 4.14 0.00 2.11 1.97 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 2.33 2.27 0.00 19 V 7.29 3.70 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.16 0.00 0.00 20 P 0.00 4.58 0.00 2.56 2.08 0.00 2.80 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 21 E 8.54 4.23 0.00 2.04 1.97 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 2.39 2.38 0.00 22 G 9.57 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 23 W 7.94 4.59 0.00 3.56 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.17 5.01 0.00 1.72 1.73 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 I 9.34 5.38 2.09 0.00 0.00 0.67 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 1.02 0.98 0.00 0.00 26 F 9.74 5.52 0.00 3.19 2.98 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 0.00 0.00 0.00 27 V 7.70 4.62 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 0.97 0.00 0.00 0.96 0.00 0.00 28 A 8.76 3.92 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.15 4.06 0.00 2.11 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 2.33 2.34 0.00 30 Q 7.93 4.15 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 31 E 7.42 3.85 0.00 2.15 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 0.00 2.46 2.29 0.00 32 E 7.56 4.75 0.00 1.89 1.41 0.00 0.00 0.00 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 2.40 0.00 33 L 8.07 5.45 0.00 1.92 1.48 1.19 0.89 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 34 Y 9.51 5.52 0.00 2.93 3.11 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 0.00 0.00 0.00 0.00 35 V 9.14 5.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.07 0.00 0.00 36 R 9.24 4.54 0.00 2.09 2.20 0.00 3.41 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.77 0.00 37 V 8.72 4.74 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 0.99 0.00 0.00 38 Q 8.78 4.02 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 39 N 8.99 4.24 0.00 2.86 2.85 0.00 0.00 7.07 7.98 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 40 G 6.79 4.02 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 0.00 0.00 0.00 41 F 7.70 5.41 0.00 3.16 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 42 R 9.40 4.71 0.00 1.80 1.90 0.00 3.16 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 43 K 8.89 4.41 0.00 1.95 1.75 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 0.94 7.81 44 V 8.49 3.98 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 0.80 0.00 0.00 0.98 0.00 0.00 45 Q 8.76 4.10 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 46 L 8.24 4.74 0.00 1.60 1.56 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.34 4.39 0.00 1.95 1.90 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 2.27 2.30 0.00 48 A 8.16 4.13 1.24 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 0.00 0.00 0.00 49 R 8.45 3.92 0.00 1.81 1.88 0.00 3.26 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 50 T 8.36 4.35 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 1.21 0.00 0.00 51 P 0.00 4.42 0.00 2.18 2.06 0.00 3.77 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 1.99 2.00 0.00 52 L 8.18 4.15 0.00 1.66 1.64 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.16 0.00 2.03 2.02 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 54 R 8.71 4.13 0.00 1.83 1.72 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00