NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4291 0.0000 0.0000 62.3091 33.1411 176.4352 2 L 3.9859 8.4011 122.4624 57.2515 41.8929 177.8271 3 G 3.8184 7.8764 105.6755 47.3797 0.0000 173.9284 4 S 4.3566 7.8908 113.9449 59.4790 63.9268 173.6120 5 Q 4.5496 7.4225 122.4805 56.6222 29.4978 175.0537 6 T 4.7100 9.0006 120.3621 61.4343 71.4839 171.7562 7 T 5.1503 8.4474 116.5642 62.2141 72.1414 173.0649 8 H 5.1749 9.6062 124.1812 54.5241 34.0709 171.4677 9 E 5.2228 8.0758 121.2977 54.6664 32.8923 173.7579 10 L 4.6675 8.9171 124.9186 55.1471 44.8638 174.0504 11 T 4.9973 8.3102 115.0761 61.8473 71.1554 173.8408 12 I 4.3469 8.7800 127.8218 58.9863 39.1420 173.9486 13 P 4.6384 0.0000 0.0000 62.7436 31.9544 176.9798 14 N 4.3044 9.2021 120.7280 56.5837 38.2673 177.1731 15 N 4.5110 8.1343 115.9374 54.5686 37.7476 175.8223 16 L 4.5720 7.9891 120.7111 54.9760 43.1517 178.0713 17 I 3.7914 7.5559 119.5622 63.9537 37.7965 177.9468 18 G 3.6291 8.0671 106.2086 47.7407 0.0000 175.1322 19 C 4.1436 7.9216 119.8065 62.3707 31.7696 175.1920 20 I 3.8513 7.2555 120.4495 64.2735 36.9352 178.3488 21 I 3.8871 7.9333 120.7263 63.4706 37.2848 177.7682 22 G 4.1071 8.1645 105.2891 44.4238 0.0000 172.4803 23 R 3.9608 8.2690 118.4860 57.6717 30.0894 176.3278 24 Q 3.6283 9.6219 122.6354 56.7480 26.5431 173.9761 25 G 3.8713 8.2454 104.2799 46.7682 0.0000 176.3708 26 A 3.9988 8.0994 124.4465 54.8806 18.2332 180.4820 27 N 4.2619 8.0231 114.4294 56.6193 38.7907 177.4427 28 I 3.7220 7.7571 120.0310 63.7308 37.9284 177.2440 29 N 4.2372 8.2315 118.1573 56.7670 38.7033 176.1568 30 E 3.9220 8.1907 120.4557 59.5994 29.6652 178.9802 31 I 3.7307 7.8080 119.5771 64.2781 37.1714 178.5530 32 R 3.9165 8.1158 118.8999 59.4740 29.7506 179.0576 33 Q 4.0204 8.1128 116.4876 59.3966 28.8159 178.7368 34 M 4.2368 8.1696 118.9340 58.2791 32.1021 178.5534 35 S 4.4101 8.1509 113.2708 58.7550 63.6018 175.5047 36 G 3.8262 8.0058 108.5085 45.5897 0.0000 172.8124 37 A 4.7267 7.5161 120.3830 50.3549 20.8182 177.2752 38 Q 4.2555 8.6763 122.2176 55.7229 30.4890 174.8200 39 I 5.0076 8.3674 126.3888 59.5105 40.4966 174.7620 40 K 4.6347 9.0034 126.5781 54.5249 35.2619 175.3252 41 I 4.5352 8.3730 125.5599 60.1306 38.0247 175.8224 42 A 4.2333 8.8334 129.6359 51.4251 19.1568 177.0819 43 N 4.2357 8.8220 117.3897 53.0878 39.1661 173.6247 44 P 4.4783 0.0000 0.0000 62.6007 32.3190 175.9389 45 V 4.4104 7.9415 113.1045 59.0190 34.3374 174.9638 46 E 3.8851 8.7449 125.1886 57.6039 29.9099 176.6314 47 G 3.9053 8.8120 113.2242 46.2873 0.0000 173.5527 48 S 4.5575 7.5540 113.7552 57.4383 64.3126 174.0053 49 S 4.6079 8.5256 114.9360 58.7811 64.6761 173.6916 50 G 4.5005 8.0002 106.0171 44.2654 0.0000 171.7215 51 R 4.7589 9.1191 122.0132 54.2105 32.6119 175.2606 52 Q 4.7015 8.6261 125.1150 55.8934 30.5720 175.1186 53 V 4.9144 8.8504 122.4535 61.5112 34.9223 174.1769 54 T 5.0336 8.6586 118.2224 60.3643 71.6230 173.7346 55 I 5.1477 8.8222 124.3103 59.8976 41.0420 174.3918 56 T 4.9687 10.2970 117.5278 59.3985 72.0285 175.1678 57 G 4.0438 7.6568 110.0887 44.7820 0.0000 172.2197 58 S 5.1711 7.7016 115.4792 57.1110 65.0760 174.6722 59 A 3.9689 8.5704 123.4446 55.3414 17.9018 179.8049 60 A 3.9224 7.9178 118.8188 55.4543 18.5455 179.9395 61 S 4.1219 7.9066 112.6182 61.3557 63.0381 176.8154 62 I 3.7115 7.8948 123.6122 64.2672 36.8067 178.1457 63 S 4.0876 8.3319 114.3199 61.2642 62.0911 175.9628 64 L 3.9548 8.1698 122.7656 58.1601 41.8901 178.6211 65 A 4.0253 8.3571 121.0707 55.4062 18.2736 179.6558 66 Q 3.9408 8.3897 116.5174 59.2685 28.7698 178.1295 67 Y 3.9373 8.2596 120.6931 60.9883 38.7918 178.4795 68 L 4.0158 8.4225 119.8986 57.5743 41.4338 179.5976 69 I 3.6649 7.6567 119.1202 64.4482 37.2654 177.6552 70 N 4.3351 8.1143 117.0101 56.4614 38.5165 177.2521 71 A 3.8198 7.8204 122.0110 55.1593 18.1861 179.6957 72 R 3.8994 7.8931 116.2329 59.0204 30.2057 177.7636 73 L 4.3489 7.2878 116.2822 54.9897 41.8582 176.9516 74 S 4.3654 7.6290 120.8421 58.5924 63.0009 173.8988 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 P 0.00 4.43 0.00 2.06 2.05 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 2 L 8.40 3.99 0.00 1.79 1.70 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 3 G 7.88 3.82 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 0.00 0.00 0.00 4 S 7.89 4.36 0.00 4.01 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 5 Q 7.42 4.55 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 6 T 9.00 4.71 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 7 T 8.45 5.15 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 1.22 0.00 0.00 8 H 9.61 5.17 0.00 3.14 3.11 0.00 5.73 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.08 5.22 0.00 1.91 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 2.29 2.21 0.00 10 L 8.92 4.67 0.00 1.71 1.66 0.91 0.96 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 11 T 8.31 5.00 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 12 I 8.78 4.35 1.86 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 1.22 1.21 0.90 0.00 0.00 13 P 0.00 4.64 0.00 2.25 1.97 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 14 N 9.20 4.30 0.00 2.79 2.88 0.00 0.00 6.62 6.48 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 15 N 8.13 4.51 0.00 2.87 2.94 0.00 0.00 5.88 7.79 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 16 L 7.99 4.57 0.00 1.81 1.69 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.56 3.79 1.86 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 1.45 1.22 0.93 0.00 0.00 18 G 8.07 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 19 C 7.92 4.14 0.00 2.97 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.26 3.85 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.91 0.90 0.00 0.00 21 I 7.93 3.89 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 0.91 0.00 0.00 22 G 8.16 4.11 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 0.00 23 R 8.27 3.96 0.00 1.85 1.84 0.00 3.33 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 24 Q 9.62 3.63 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.30 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 25 G 8.25 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 26 A 8.10 4.00 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 0.00 0.00 0.00 0.00 0.00 27 N 8.02 4.26 0.00 2.89 2.87 0.00 0.00 6.76 7.46 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 28 I 7.76 3.72 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.23 1.00 0.00 0.00 29 N 8.23 4.24 0.00 2.99 2.99 0.00 0.00 6.77 6.94 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 30 E 8.19 3.92 0.00 2.34 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 2.32 2.37 0.00 31 I 7.81 3.73 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.93 0.00 0.00 32 R 8.12 3.92 0.00 2.04 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 33 Q 8.11 4.02 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 34 M 8.17 4.24 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 35 S 8.15 4.41 0.00 4.23 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 36 G 8.01 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.52 4.73 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.68 4.26 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 39 I 8.37 5.01 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 1.36 0.95 0.92 0.00 0.00 40 K 9.00 4.63 0.00 1.62 1.67 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.52 7.81 41 I 8.37 4.54 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.49 0.91 0.00 0.00 42 A 8.83 4.23 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.82 4.24 0.00 2.72 2.79 0.00 0.00 6.99 8.02 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 44 P 0.00 4.48 0.00 2.17 2.04 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 45 V 7.94 4.41 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 0.78 0.00 0.00 0.93 0.00 0.00 46 E 8.74 3.89 0.00 1.90 1.86 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 2.29 2.37 0.00 47 G 8.81 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.55 4.56 0.00 4.07 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 49 S 8.53 4.61 0.00 3.91 4.14 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 0.00 0.00 0.00 0.00 50 G 8.00 4.50 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 51 R 9.12 4.76 0.00 2.02 1.76 0.00 3.18 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 52 Q 8.63 4.70 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.60 2.34 0.00 53 V 8.85 4.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.92 0.00 0.00 54 T 8.66 5.03 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 1.20 0.00 0.00 55 I 8.82 5.15 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.94 0.00 0.00 56 T 10.30 4.97 4.33 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 1.22 0.00 0.00 57 G 7.66 4.04 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 0.00 0.00 0.00 58 S 7.70 5.17 0.00 4.13 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 59 A 8.57 3.97 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 60 A 7.92 3.92 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 61 S 7.91 4.12 0.00 4.26 4.14 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 0.00 0.00 0.00 0.00 62 I 7.89 3.71 1.99 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 1.43 0.70 0.97 0.00 0.00 63 S 8.33 4.09 0.00 3.87 4.06 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 0.00 0.00 0.00 0.00 64 L 8.17 3.95 0.00 1.88 1.84 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.36 4.03 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 66 Q 8.39 3.94 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 67 Y 8.26 3.94 0.00 3.14 3.19 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 0.00 0.00 0.00 68 L 8.42 4.02 0.00 1.90 1.73 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.66 3.66 2.00 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 1.52 0.54 0.89 0.00 0.00 70 N 8.11 4.34 0.00 2.66 2.69 0.00 0.00 6.99 6.67 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 71 A 7.82 3.82 1.22 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 0.00 0.00 0.00 72 R 7.89 3.90 0.00 1.92 2.11 0.00 3.30 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 73 L 7.29 4.35 0.00 1.71 1.65 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.63 4.37 0.00 3.98 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00