NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3315 8.2649 123.5821 52.3238 20.2566 178.6655 2 Q 4.1116 8.5214 117.7643 53.2602 27.4534 173.7798 3 Q 4.4372 7.3551 121.7156 53.0637 29.2829 173.6760 4 R 4.5153 7.7178 114.1007 55.0984 31.8572 175.0760 5 K 4.5227 8.4074 118.5824 55.3322 36.0710 175.6995 6 V 4.1868 7.4023 122.6918 61.1833 33.9506 174.6322 7 I 3.7580 8.2346 122.7367 60.5575 37.5080 175.3773 8 R 5.1973 8.5294 124.7609 55.1621 30.5369 176.7266 9 C 5.0119 9.3184 124.9558 55.6378 44.2146 172.7969 10 W 4.4086 8.6661 135.0000 58.4063 31.0559 173.7935 11 N 4.0728 7.4278 121.7049 52.1721 35.4311 175.0459 12 C 4.7185 7.8613 109.4898 53.7053 44.0320 172.3654 13 G 3.5414 9.7580 109.6766 45.1097 0.0000 171.6203 14 K 4.2997 7.6662 120.5853 54.8135 35.0728 174.5119 15 E 4.4857 9.0997 126.8841 58.1564 28.8758 177.2257 16 G 4.6698 8.8130 124.0041 46.7372 0.0000 170.8999 17 H 4.7619 7.0208 114.2688 54.8968 30.7706 170.4862 18 S 5.0264 8.5294 114.2519 58.3626 64.2708 174.2507 19 A 4.5008 8.4920 120.3250 53.4141 19.2900 178.5731 20 R 4.0017 7.7428 115.6146 58.2257 30.2532 176.8352 21 Q 4.4184 8.0141 116.1569 55.9189 30.3895 174.3532 22 C 4.6081 7.5306 118.0725 58.8128 32.3511 173.7867 23 R 4.5360 8.6081 124.4615 56.7341 30.7850 174.0405 24 A 4.0930 8.1831 119.5147 50.6293 19.2977 176.9649 25 P 4.4139 0.0000 0.0000 65.8188 31.6128 179.0270 26 R 3.9111 8.2273 114.1203 58.0539 29.2417 175.9946 27 R 4.4058 7.3460 118.4347 55.2310 31.5119 175.1298 28 Q 4.3501 8.2003 118.8782 54.1220 29.9116 174.7659 29 G 4.2331 8.5776 110.7445 49.3252 0.0000 173.5583 30 C 4.6082 8.1073 116.0036 56.7748 31.2433 173.4517 31 W 4.6224 8.5575 126.3668 57.7553 32.4427 176.8830 32 K 4.1795 8.5216 118.3975 58.5587 31.8830 176.7753 33 C 4.3786 7.6797 109.7521 57.2990 31.6766 171.5078 34 G 3.6405 9.6543 112.8923 45.4714 0.0000 171.7095 35 K 4.5979 7.1039 124.8490 55.1781 40.3500 179.5820 36 T 4.1213 7.7207 113.7777 63.5436 71.7714 174.2319 37 G 4.0063 8.7918 108.6569 48.9644 0.0000 174.2252 38 H 4.1852 8.3099 115.8939 55.8927 28.7699 174.1635 39 V 4.8213 8.0377 112.7407 59.4994 36.0734 176.1940 40 M 3.7788 8.9400 119.6015 58.8604 31.8059 179.0183 41 A 4.1697 8.1292 119.9555 54.9860 18.5056 177.9574 42 K 4.6730 8.7140 115.6091 56.1086 33.7135 175.7457 43 C 4.1999 7.8704 119.5839 58.2096 32.0400 171.8603 44 P 4.2635 0.0000 0.0000 63.6077 31.4303 175.4032 45 E 3.4500 8.7743 116.2653 57.5200 25.8993 169.7420 46 R 3.7607 8.3095 121.8077 55.9652 29.2142 175.1698 47 Q 4.4356 8.1794 128.7340 55.8387 29.4001 175.7972 48 A 4.7028 8.6764 114.0951 52.1021 19.7447 177.1381 49 G 3.7343 8.0138 114.4961 47.1478 0.0000 173.8216 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 A 8.26 4.33 1.23 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 0.00 0.00 2 Q 8.52 4.11 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 3 Q 7.36 4.44 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 4 R 7.72 4.52 0.00 1.90 1.83 0.00 3.27 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 5 K 8.41 4.52 0.00 1.71 1.79 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.50 7.81 6 V 7.40 4.19 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 0.73 0.00 0.00 0.95 0.00 0.00 7 I 8.23 3.76 1.90 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 1.42 0.70 0.99 0.00 0.00 8 R 8.53 5.20 0.00 1.95 2.17 0.00 2.87 0.00 0.00 3.92 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 9 C 9.32 5.01 0.00 2.06 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.67 4.41 0.00 2.92 2.81 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 11 N 7.43 4.07 0.00 3.10 3.78 0.00 0.00 5.53 7.82 0.00 0.00 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 C 7.86 4.72 0.00 3.09 3.24 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 13 G 9.76 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 4.30 0.00 1.84 1.69 0.00 1.66 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.63 7.81 15 E 9.10 4.49 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 16 G 8.81 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 7.02 4.76 0.00 3.33 3.41 0.00 5.40 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.53 5.03 0.00 3.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 4.50 1.11 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 0.00 0.00 20 R 7.74 4.00 0.00 1.73 1.94 0.00 3.21 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 21 Q 8.01 4.42 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 22 C 7.53 4.61 0.00 3.46 3.24 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 23 R 8.61 4.54 0.00 1.80 1.84 0.00 3.55 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 24 A 8.18 4.09 1.30 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 0.00 0.00 25 P 0.00 4.41 0.00 2.24 2.32 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 26 R 8.23 3.91 0.00 1.90 2.12 0.00 3.13 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 27 R 7.35 4.41 0.00 2.05 1.89 0.00 3.21 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 28 Q 8.20 4.35 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.05 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 29 G 8.58 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 0.00 0.00 0.00 0.00 30 C 8.11 4.61 0.00 3.15 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 31 W 8.56 4.62 0.00 3.47 3.41 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 0.00 0.00 0.00 32 K 8.52 4.18 0.00 1.85 1.92 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.54 7.81 33 C 7.68 4.38 0.00 3.20 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 34 G 9.65 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.10 4.60 0.00 1.74 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.50 7.81 36 T 7.72 4.12 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 1.26 0.00 0.00 37 G 8.79 4.01 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 0.00 0.00 0.00 38 H 8.31 4.19 0.00 3.34 3.52 0.00 5.42 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.04 4.82 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 1.07 0.00 0.00 1.03 0.00 0.00 40 M 8.94 3.78 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.68 0.00 41 A 8.13 4.17 1.32 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 0.00 0.00 42 K 8.71 4.67 0.00 1.68 1.78 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.39 7.81 43 C 7.87 4.20 0.00 3.17 2.90 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 44 P 0.00 4.26 0.00 2.24 2.10 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 45 E 8.77 3.45 0.00 2.11 2.01 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 2.25 2.33 0.00 46 R 8.31 3.76 0.00 1.95 1.96 0.00 3.14 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 47 Q 8.18 4.44 0.00 1.91 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.58 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 48 A 8.68 4.70 1.26 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 0.00 0.00 0.00 49 G 8.01 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00