NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.1993 8.0249 121.4119 60.8678 37.4800 174.0438 4 K 4.1490 7.2918 122.6752 53.8733 34.0036 172.1415 5 V 4.1719 8.0084 121.9864 62.3964 33.2315 173.1295 6 R 4.1221 8.6279 126.2611 57.5524 30.9865 176.5290 7 E 3.6823 8.2709 112.6255 57.0425 26.1150 174.1103 8 N 4.2705 8.2788 121.3329 53.7578 39.8633 169.7905 9 E 3.6185 8.5782 130.0996 54.1943 30.4604 172.1283 10 P 3.8009 0.0000 0.0000 62.5819 31.7014 175.7896 11 F 4.6200 7.7730 111.4060 56.4421 39.4027 174.4591 12 D 4.8066 8.9944 129.9560 54.5031 38.4599 176.6911 13 V 4.3831 7.4699 117.0075 59.4423 34.1538 176.5728 14 A 4.0429 8.9017 128.3084 53.1619 18.7241 176.7595 15 L 3.6792 8.0084 115.9988 56.0170 40.9296 176.3334 16 R 3.9980 8.1075 117.8649 58.7870 30.0210 176.9629 17 R 3.9279 8.1755 117.7990 59.2214 29.8944 177.9310 18 F 3.9544 7.8675 119.8967 61.5069 39.2779 177.1628 19 K 4.1186 8.2568 117.6654 59.6675 31.5670 178.8886 20 R 4.5267 7.4514 115.2198 56.3141 29.7533 176.8409 21 S 4.8009 7.8748 112.2194 57.5293 65.2786 173.3639 22 C 4.6693 8.1720 123.2634 59.7014 35.3630 176.7533 23 E 4.4838 9.4045 122.2641 53.0560 29.8602 176.9687 24 K 3.4207 8.8489 126.3904 57.7481 31.6048 173.2011 25 A 4.2787 8.4485 119.5329 53.1150 18.7730 176.5718 26 G 4.3447 8.9177 109.6141 46.6408 0.0000 175.4386 27 V 4.2539 7.4353 117.9680 64.2489 32.5738 177.3605 28 L 3.9071 8.1015 119.9755 58.3179 41.8381 178.8584 29 A 4.0545 7.9598 118.6197 54.7918 18.3128 178.8843 30 E 4.0648 7.9358 116.9898 59.4834 30.0825 178.4562 31 V 3.8861 7.6212 114.6703 64.0265 31.8341 176.8735 32 R 3.5490 7.7583 114.9445 63.3205 30.1207 180.6872 33 R 4.2305 7.9614 127.6176 55.6345 31.5029 175.3156 34 R 4.2464 8.2881 112.3832 56.6437 30.2035 176.6705 35 E 4.2390 7.6994 116.5923 56.6264 28.7549 176.1330 36 F 4.7248 7.4285 123.6590 59.4159 46.7197 174.5191 37 Y 4.3999 8.2094 121.4634 58.3580 36.1867 170.4231 38 E 4.7299 7.8434 112.7689 56.3512 32.5331 177.3074 39 K 3.7281 8.4452 119.1306 58.7842 32.7495 177.2935 40 P 3.8376 0.0000 0.0000 65.8175 31.4282 178.4483 41 T 3.9062 7.1166 108.1460 62.9621 68.1542 173.2055 42 T 4.3810 6.8924 109.6282 61.8848 71.9990 175.1356 43 E 3.8676 8.3544 125.4616 58.8080 30.3561 179.3868 44 R 4.0885 7.8194 117.5325 58.4687 30.1277 178.0944 45 K 4.3386 7.6489 114.7613 57.0391 32.7501 178.0273 46 R 4.3412 7.8931 118.6174 56.6326 30.5263 177.8430 47 A 4.1800 7.8170 121.1389 54.1367 18.2644 179.6785 48 K 3.9496 7.9498 117.3587 59.8189 32.8953 178.8995 49 A 3.9913 7.4947 119.9177 53.9614 18.4103 178.5931 50 S 4.4898 7.7082 111.4547 60.0856 64.3064 176.1524 51 A 4.0058 8.2897 123.7062 54.4299 18.0480 179.3402 52 V 3.7165 7.6775 117.6892 64.9436 31.2393 176.2048 53 K 4.0387 8.1661 124.0307 56.7003 32.4015 174.6812 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 3 I 8.02 3.20 1.71 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.05 0.52 0.00 0.00 4 K 7.29 4.15 0.00 1.69 1.64 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.36 7.81 5 V 8.01 4.17 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 0.83 0.00 0.00 0.90 0.00 0.00 6 R 8.63 4.12 0.00 1.80 1.93 0.00 3.43 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 7 E 8.27 3.68 0.00 2.42 2.38 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 2.35 2.36 0.00 8 N 8.28 4.27 0.00 2.67 2.77 0.00 0.00 7.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.58 3.62 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 2.35 0.00 10 P 0.00 3.80 0.00 2.11 1.91 0.00 3.72 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 11 F 7.77 4.62 0.00 2.98 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 12 D 8.99 4.81 0.00 2.74 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 13 V 7.47 4.38 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 0.71 0.00 0.00 0.91 0.00 0.00 14 A 8.90 4.04 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 15 L 8.01 3.68 0.00 1.82 1.73 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.11 4.00 0.00 1.99 1.94 0.00 3.34 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 17 R 8.18 3.93 0.00 1.87 2.01 0.00 3.35 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 18 F 7.87 3.95 0.00 3.26 2.97 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 19 K 8.26 4.12 0.00 1.94 1.92 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.56 7.81 20 R 7.45 4.53 0.00 1.92 1.96 0.00 3.28 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 21 S 7.87 4.80 0.00 3.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.67 0.00 3.07 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 23 E 9.40 4.48 0.00 2.02 1.67 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 2.37 2.26 0.00 24 K 8.85 3.42 0.00 2.03 1.69 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.38 7.81 25 A 8.45 4.28 1.28 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 0.00 0.00 0.00 26 G 8.92 4.34 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 0.00 27 V 7.44 4.25 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 1.07 0.00 0.00 0.95 0.00 0.00 28 L 8.10 3.91 0.00 1.86 1.65 0.93 1.51 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 29 A 7.96 4.05 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 30 E 7.94 4.06 0.00 2.26 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 0.00 2.40 2.53 0.00 31 V 7.62 3.89 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 0.85 0.00 0.00 1.02 0.00 0.00 32 R 7.76 3.55 0.00 2.05 1.86 0.00 3.29 0.00 0.00 3.14 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 33 R 7.96 4.23 0.00 1.76 1.66 0.00 3.27 0.00 0.00 3.20 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 34 R 8.29 4.25 0.00 1.88 1.94 0.00 2.86 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 35 E 7.70 4.24 0.00 1.52 1.12 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 2.06 2.19 0.00 36 F 7.43 4.72 0.00 2.78 2.82 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 0.00 0.00 0.00 0.00 37 Y 8.21 4.40 0.00 3.22 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 38 E 7.84 4.73 0.00 2.18 2.22 0.00 0.00 0.00 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 2.47 0.00 39 K 8.45 3.73 0.00 2.23 2.14 0.00 1.88 0.00 0.00 1.97 0.00 0.00 3.17 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.65 1.57 7.81 40 P 0.00 3.84 0.00 2.03 1.85 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 41 T 7.12 3.91 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 42 T 6.89 4.38 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 1.25 0.00 0.00 43 E 8.35 3.87 0.00 1.94 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 2.34 2.38 0.00 44 R 7.82 4.09 0.00 1.93 1.82 0.00 2.86 0.00 0.00 2.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 45 K 7.65 4.34 0.00 1.78 1.81 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.57 7.81 46 R 7.89 4.34 0.00 2.03 1.93 0.00 3.11 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 47 A 7.82 4.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 3.95 0.00 2.02 2.05 0.00 1.40 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.58 7.81 49 A 7.49 3.99 1.40 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 0.00 0.00 0.00 50 S 7.71 4.49 0.00 4.03 4.09 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 51 A 8.29 4.01 1.35 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 0.00 0.00 52 V 7.68 3.72 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 0.78 0.00 0.00 0.92 0.00 0.00 53 K 8.17 4.04 0.00 1.69 1.64 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.36 7.81