NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7153 8.4249 118.2181 52.5512 39.1646 174.1950 3 Q 4.3620 7.7502 116.6043 55.4501 29.0753 175.9492 4 G 3.8123 9.0181 110.9179 48.3787 0.0000 174.5553 5 K 4.4118 7.8713 118.0223 56.2916 32.4542 178.2623 6 I 3.4499 7.6467 122.6315 63.7307 37.8361 177.4453 7 W 5.3896 7.7641 116.3444 57.0863 28.7948 176.6526 8 T 4.3433 7.7429 109.5708 62.6686 69.0378 176.0757 9 V 4.1110 7.7607 113.8463 61.3705 33.6331 175.8722 10 V 4.2274 7.6922 120.2257 60.5417 32.8503 173.9767 11 N 4.6097 8.8193 125.7446 53.0563 39.7747 173.5238 12 P 4.1695 0.0000 0.0000 65.0893 31.1307 177.8387 13 A 4.0485 8.7234 120.5666 54.1042 18.4946 178.4849 14 I 4.2842 7.6263 117.2748 63.4372 38.5022 177.9241 15 G 4.1210 8.3604 106.5349 48.2079 0.0000 175.6888 16 I 3.7650 7.6490 121.2552 63.8172 37.2403 176.7496 17 P 4.2700 0.0000 0.0000 65.3764 31.0887 178.5364 18 A 4.0510 8.1326 119.7877 54.9414 18.2978 179.4736 19 L 3.9326 7.9902 118.8151 58.4285 42.2891 179.2677 20 L 4.1429 8.0911 119.1250 57.6868 41.5180 179.7910 21 G 3.6291 8.6633 106.1633 47.9244 0.0000 176.0283 22 S 4.1762 8.4301 117.9907 61.3254 62.8430 176.9657 23 V 3.6587 8.0148 121.0133 66.1511 31.2127 178.3364 24 T 3.8745 7.8335 115.1737 66.5561 68.3016 176.7918 25 V 3.6180 7.7687 120.1641 66.1989 31.4473 178.1171 26 I 3.7225 7.8756 119.2721 64.3401 36.9784 178.3075 27 A 4.0675 8.0780 121.6627 55.1679 18.1297 179.8258 28 I 3.7649 8.0343 118.4437 64.3524 37.1076 178.6046 29 L 3.9846 8.1200 119.8809 57.9596 41.5436 179.5639 30 V 3.6208 8.0710 118.2953 66.4751 31.3466 177.8001 31 H 4.2609 8.2450 115.1936 59.0223 28.6771 177.8205 32 L 4.0161 8.3014 120.6775 57.6022 41.1828 179.4912 33 A 4.0061 8.1899 120.2326 55.3761 18.7844 179.4958 34 I 3.7454 7.8214 118.3832 64.3461 36.9025 178.4479 35 L 3.4971 7.7896 120.4270 57.7300 41.8985 178.5023 36 S 4.3806 7.6414 112.7147 59.4129 63.0701 174.3617 37 H 4.8574 7.5748 117.1736 55.1129 29.7027 173.1077 38 T 4.6119 7.3289 108.3005 60.1031 71.7575 173.5932 39 T 4.2140 8.1985 111.9930 63.1848 70.1589 177.1484 40 W 4.3449 7.9332 119.9782 59.2192 28.2435 178.1049 41 F 4.2713 7.0576 121.4436 60.8502 38.8538 175.3968 42 P 3.9379 0.0000 0.0000 65.3774 31.1476 178.4266 43 A 4.1054 8.1100 119.6948 55.2161 18.0238 178.9269 44 Y 4.3607 8.0184 117.4214 60.9811 38.9591 178.2713 45 W 4.4070 7.7290 117.3978 59.6903 29.2533 178.2134 46 Q 4.2058 8.1568 117.4907 57.7173 28.5013 178.0365 47 G 3.7914 8.1387 107.1917 44.1677 0.0000 173.0582 48 G 3.8970 8.2742 105.4046 45.3161 0.0000 173.9686 49 V 3.8120 8.4465 121.2402 62.3679 32.0931 169.8995 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 4.34 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