NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4560 8.2893 120.3273 54.7157 34.1555 176.0577 2 P 4.1673 0.0000 0.0000 61.1165 31.2967 173.7962 3 K 3.6233 8.8351 126.4568 56.0620 33.5617 173.2165 4 M 3.2236 7.2971 129.4093 55.4053 31.0329 176.2257 5 K 5.0340 7.8715 122.2543 55.4725 35.4957 176.9658 6 T 4.0290 8.4151 115.3830 62.0243 65.1192 174.7074 7 H 3.8202 8.0335 123.4688 58.7424 28.8452 177.2113 8 K 3.8037 7.5973 115.9304 59.4017 32.5762 178.7344 9 G 3.8741 8.4646 110.2439 48.9478 0.0000 174.1346 10 A 4.1450 8.1258 122.8844 54.7432 18.1007 178.9331 11 K 3.9817 7.8026 114.2747 59.3165 32.3507 177.3781 12 K 3.9115 8.5623 124.8754 57.9288 32.9830 178.5328 13 R 3.4063 8.8961 125.9274 55.6122 31.0774 177.7704 14 V 3.2118 8.4979 125.5097 63.6183 28.4558 169.7320 15 K 4.7737 8.7843 122.1244 53.9333 36.1464 174.9533 16 I 5.5872 8.5780 123.1667 58.8542 40.7339 174.8408 17 T 4.5474 8.1966 115.2302 59.7064 70.2851 175.0509 18 A 4.0263 9.1058 130.4300 54.1621 18.8403 178.2527 19 S 4.2601 8.2684 110.1338 60.8800 63.0519 174.6449 20 G 3.5980 6.7366 116.1645 44.3424 0.0000 171.8950 21 K 4.9990 7.3394 118.6281 55.7844 37.7060 174.8747 22 V 4.7234 5.4500 119.6022 62.5155 34.8409 172.7603 23 V 4.9951 7.6531 119.2355 63.2006 34.8611 171.2689 24 A 4.9938 8.1748 124.0179 49.8469 22.8879 175.1555 25 M 4.0945 9.0319 118.4104 56.2340 32.2535 177.3785 26 K 4.1329 9.3169 122.4751 58.8388 33.1298 176.9379 27 T 3.6274 8.4419 108.9578 62.4646 66.4285 172.4019 28 G 4.1510 8.0572 109.8428 48.7704 0.0000 174.1516 29 K 4.4635 7.3209 116.6216 55.1459 37.3135 177.1102 30 R 2.5100 7.3610 118.7638 54.7368 34.9498 176.5225 31 H 4.3296 8.4924 114.3863 56.1193 28.7535 171.9517 32 L 4.4101 8.2792 131.0385 55.2125 49.8100 176.0733 33 N 4.5557 7.4937 125.1365 51.8635 37.7816 176.5190 34 W 4.0341 8.1267 124.2934 58.6055 24.6083 174.4322 35 Q 4.5935 7.7431 112.2868 56.4625 29.7293 177.0470 36 K 4.8248 8.6699 126.3845 54.2540 32.6393 178.4657 37 S 4.8476 8.0607 119.3815 58.4288 65.3588 178.8136 38 G 4.0148 7.5296 108.9944 45.7499 0.0000 177.3609 39 K 4.6119 8.0988 120.9735 59.2512 35.0349 176.2166 40 E 4.0056 8.0750 117.9142 59.2615 29.6388 179.0438 41 I 3.6021 9.6980 115.5982 62.7327 36.8370 177.4896 42 R 4.3029 8.0622 119.1445 57.2028 29.9747 177.3958 43 Q 4.5172 7.1850 117.2467 53.9027 27.9101 175.0562 44 K 4.6474 7.8486 119.0745 55.8532 34.6973 177.7429 45 G 4.1586 7.9452 110.6467 46.1857 0.0000 173.1693 46 R 5.4432 8.5658 123.7002 54.3997 34.2670 174.5422 47 K 4.7778 8.8214 118.0860 56.2691 36.5668 174.8487 48 F 5.5679 8.5863 122.1335 57.3120 42.4243 173.2495 49 V 4.0881 8.3527 125.8034 60.8818 33.0243 175.5044 50 L 3.8632 7.9438 130.5280 55.5631 44.9922 176.6691 51 A 3.4181 7.3730 122.7510 53.8317 17.4516 181.0086 52 K 4.7269 7.8903 120.2751 60.1821 34.2639 175.0522 53 P 5.1854 0.0000 0.0000 62.7570 30.3242 175.8667 54 E 4.4815 10.5494 116.7215 58.5398 31.5490 177.5213 55 A 3.9897 7.8685 119.9270 55.6890 18.4974 178.8662 56 E 3.8968 8.3666 116.0760 60.7048 29.5039 178.8982 57 R 3.7893 8.4051 116.6349 60.4104 29.6390 177.8409 58 I 3.6722 7.8365 116.4513 64.0629 38.1223 178.1819 59 K 4.0406 8.3336 120.4604 59.3957 31.7174 178.5620 60 L 4.0220 8.4257 119.1898 58.0391 42.1452 177.4057 61 L 3.6080 7.2254 118.4712 54.1988 39.4635 175.3819 62 L 4.6577 7.7453 130.6825 54.2603 39.3009 172.0739 63 P 5.0385 0.0000 0.0000 63.6733 35.1765 173.4044 64 Y 4.1164 8.7751 120.3272 57.6362 37.7139 176.3380 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 M 8.29 4.46 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 P 0.00 4.17 0.00 2.27 2.07 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 3 K 8.84 3.62 0.00 1.74 1.77 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 4 M 7.30 3.22 0.00 2.43 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 5 K 7.87 5.03 0.00 1.90 1.90 0.00 1.11 0.00 0.00 2.29 0.00 0.00 2.52 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.44 1.27 7.81 6 T 8.42 4.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 7 H 8.03 3.82 0.00 3.19 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.60 3.80 0.00 1.84 1.74 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.55 7.81 9 G 8.46 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 0.00 0.00 0.00 10 A 8.13 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.80 3.98 0.00 1.80 1.86 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.61 7.81 12 K 8.56 3.91 0.00 1.72 1.78 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.43 7.81 13 R 8.90 3.41 0.00 1.94 1.45 0.00 3.36 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 14 V 8.50 3.21 2.54 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 0.80 0.00 0.00 0.99 0.00 0.00 15 K 8.78 4.77 0.00 1.58 1.55 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.48 7.81 16 I 8.58 5.59 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.02 0.90 0.00 0.00 17 T 8.20 4.55 4.22 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 0.00 0.00 1.17 0.00 0.00 18 A 9.11 4.03 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 19 S 8.27 4.26 0.00 4.00 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 20 G 6.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.34 5.00 0.00 1.78 1.86 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.55 7.81 22 V 5.45 4.72 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.83 0.00 0.00 23 V 7.65 5.00 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 1.01 0.00 0.00 0.95 0.00 0.00 24 A 8.17 4.99 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 25 M 9.03 4.09 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 26 K 9.32 4.13 0.00 1.74 1.84 0.00 1.87 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.57 7.81 27 T 8.44 3.63 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 1.37 0.00 0.00 28 G 8.06 4.15 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 0.00 0.00 0.00 29 K 7.32 4.46 0.00 0.86 1.65 0.00 1.67 0.00 0.00 1.29 0.00 0.00 3.18 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.30 7.81 30 R 7.36 2.51 0.00 1.60 2.06 0.00 3.23 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.00 31 H 8.49 4.33 0.00 3.26 3.64 0.00 6.01 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.28 4.41 0.00 1.44 1.17 1.14 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.49 4.56 0.00 1.67 1.42 0.00 0.00 7.06 7.68 0.00 0.00 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 W 8.13 4.03 0.00 3.54 3.48 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 35 Q 7.74 4.59 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 36 K 8.67 4.82 0.00 1.97 1.08 0.00 2.05 0.00 0.00 2.40 0.00 0.00 3.07 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.97 7.81 37 S 8.06 4.85 0.00 4.18 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.53 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 39 K 8.10 4.61 0.00 1.91 2.10 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.43 7.81 40 E 8.07 4.01 0.00 2.00 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 2.39 2.43 0.00 41 I 9.70 3.60 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.83 0.00 0.00 42 R 8.06 4.30 0.00 1.98 1.93 0.00 3.18 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 1.63 1.61 0.00 43 Q 7.19 4.52 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.33 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 44 K 7.85 4.65 0.00 1.56 1.65 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.45 7.81 45 G 7.95 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.57 5.44 0.00 1.65 1.81 0.00 3.19 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 47 K 8.82 4.78 0.00 1.85 1.89 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.57 7.81 48 F 8.59 5.57 0.00 2.95 2.93 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 49 V 8.35 4.09 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 0.77 0.00 0.00 0.94 0.00 0.00 50 L 7.94 3.86 0.00 1.42 1.45 0.85 1.02 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 51 A 7.37 3.42 0.96 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 0.00 0.00 0.00 0.00 0.00 52 K 7.89 4.73 0.00 1.82 1.84 0.00 1.75 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.49 7.81 53 P 0.00 5.19 0.00 2.58 2.37 0.00 3.28 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.51 0.00 54 E 10.55 4.48 0.00 2.07 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 2.23 2.34 0.00 55 A 7.87 3.99 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 56 E 8.37 3.90 0.00 2.14 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 0.00 2.51 2.52 0.00 57 R 8.41 3.79 0.00 2.08 1.97 0.00 3.18 0.00 0.00 3.26 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 58 I 7.84 3.67 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.73 0.92 0.00 0.00 59 K 8.33 4.04 0.00 2.03 1.88 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.62 7.81 60 L 8.43 4.02 0.00 1.65 1.88 1.04 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.23 3.61 0.00 1.87 1.64 0.94 1.37 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 62 L 7.75 4.66 0.00 1.88 1.94 0.94 1.04 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 63 P 0.00 5.04 0.00 2.45 1.99 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 64 Y 8.78 4.12 0.00 2.91 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