NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2611 8.3349 115.2922 60.6651 63.9378 173.8844 2 R 3.4472 7.4897 118.6628 57.1865 28.0072 172.5511 3 V 4.7367 7.4744 110.1359 59.4668 35.7980 175.5935 4 C 3.9719 8.5140 126.0341 60.6636 31.5683 175.8971 5 Q 4.0240 8.2354 120.7755 56.2487 28.8280 173.9987 6 V 4.1527 8.0771 116.1394 62.2748 32.6002 176.6351 7 T 4.4760 7.7460 107.0022 59.9235 69.3402 173.5201 8 G 3.9801 7.9998 108.6962 46.6724 0.0000 173.8572 9 K 4.3178 7.9203 118.3105 55.5863 33.5784 177.3299 10 R 5.9747 8.6283 125.5617 53.2673 33.3643 173.2485 11 P 4.8511 0.0000 0.0000 62.4007 32.2228 176.4948 12 V 4.2562 8.4286 118.9116 60.9953 33.4805 175.0506 13 T 5.0464 8.1735 110.7780 60.6403 71.6297 173.3387 14 G 4.3632 8.3123 108.5691 46.4473 0.0000 171.3744 15 N 5.2738 8.7599 116.7877 51.8138 40.1391 175.3739 16 N 4.2653 9.0146 120.5923 54.9439 39.9197 175.1264 17 R 3.4138 8.0196 111.4282 57.2597 26.9775 175.2138 18 S 4.6891 7.8153 117.0199 55.9589 65.5968 173.5297 19 H 4.1717 8.5584 116.9801 57.5247 28.6742 176.1323 20 A 3.7404 8.7929 122.4008 51.5283 17.1294 177.6615 21 L 3.5219 7.7662 115.2734 55.3357 38.6721 173.8857 22 N 4.8522 7.7372 114.2331 50.9943 39.5845 175.2441 23 A 4.2203 8.4267 126.1199 52.4341 19.4457 177.0471 24 T 4.2976 8.4547 111.5304 60.5390 71.3212 173.0539 25 K 4.4225 8.8410 126.3674 57.5173 32.1126 176.6259 26 R 4.5493 8.8133 116.8545 54.9820 34.1270 172.5873 27 R 3.7119 7.9792 121.0176 55.4146 30.7973 175.4746 28 F 4.6744 8.7951 119.3144 55.5814 39.7230 175.0993 29 L 4.5480 8.2456 126.0302 53.9446 41.5039 175.2281 30 P 4.4068 0.0000 0.0000 62.8920 31.3950 175.5230 31 N 4.3673 8.3942 116.8036 54.6782 39.3430 172.4103 32 L 4.2644 7.5276 122.5358 54.1566 41.5434 173.4706 33 H 4.5760 8.7966 114.6694 55.0963 35.9028 170.2743 34 S 3.8906 8.3986 120.3727 58.0104 61.2281 168.9962 35 H 4.6171 8.7822 127.9528 54.1953 32.4723 173.4626 36 R 4.6079 8.4295 124.6455 55.8953 28.9347 175.9395 37 F 4.8440 8.4740 122.4048 56.5334 41.3672 174.6006 38 W 5.0951 9.0553 131.6630 55.7949 30.5270 175.2874 39 V 3.4042 7.8739 121.1646 62.9255 31.3333 176.6237 40 E 3.2478 6.8960 124.2370 57.1780 28.8115 175.7577 41 S 4.4890 7.6286 108.2129 59.1279 62.7671 173.9995 42 E 4.3803 7.3603 117.4776 55.2253 31.7048 175.2188 43 K 3.0732 7.4689 113.8966 56.0683 29.4099 172.4378 44 R 4.1297 5.8400 120.1491 56.0315 34.1200 172.4438 45 F 5.4364 8.8738 119.0748 55.6142 41.1709 176.9586 46 V 4.5489 8.6515 115.7788 59.2563 30.9727 174.2255 47 T 4.6926 8.1241 114.0095 62.3154 68.1515 173.0677 48 L 4.8678 8.5636 128.6120 52.0756 45.0886 177.0516 49 R 4.2929 8.1437 123.0687 56.1398 27.7175 174.9213 50 V 4.5419 7.5585 122.8596 62.7031 34.6119 175.0477 51 S 4.8172 8.4672 114.6740 56.3544 65.6458 173.1691 52 A 4.2103 8.4407 123.8921 53.5515 18.8842 177.4000 53 K 4.2945 9.1103 125.3326 57.8566 32.1343 178.4713 54 G 3.7145 7.9255 104.4783 48.2007 0.0000 175.3506 55 M 4.1422 8.1855 120.9219 58.2487 32.1444 178.9317 56 R 3.9728 8.0138 117.7134 59.0869 30.1062 179.2019 57 V 3.5675 7.8141 118.1571 66.0120 31.5610 177.9333 58 I 3.5572 7.5550 119.5277 64.7216 36.6407 178.1237 59 D 4.3281 8.2405 119.0321 56.8511 40.8023 178.2064 60 K 4.1529 7.7969 118.5568 57.7572 32.3352 177.3532 61 K 4.2454 8.6102 117.6720 56.3309 34.1224 177.5354 62 G 3.9218 8.4337 106.4938 45.3165 0.0000 173.7361 63 I 3.4101 8.3300 123.9978 64.9430 37.8497 177.3218 64 D 4.8414 7.6009 119.4890 53.4450 39.4894 175.6256 65 T 4.6299 7.1572 116.0057 63.7414 76.4400 176.9722 66 V 4.4382 7.7024 122.2831 65.1358 31.1310 178.0109 67 L 3.7564 8.4560 118.1949 56.5387 41.3228 179.2838 68 A 3.7666 7.3343 120.2092 55.8659 18.7136 177.8503 69 E 4.4499 7.7699 115.9748 56.3071 32.4029 176.3562 70 L 3.8514 8.4465 124.7926 57.1714 42.0010 177.1062 71 R 3.8776 7.3058 117.0115 59.4798 29.8854 178.3309 72 A 4.0699 7.5796 118.2483 54.6416 18.3652 179.0292 73 R 4.0560 7.8933 116.3483 56.7206 31.6121 175.9390 74 G 3.7450 8.1721 105.4585 45.8384 0.0000 172.2093 75 E 4.8514 8.3050 117.8903 53.6897 34.9831 175.1810 76 K 3.4783 9.1047 115.8080 59.0278 32.0857 175.6371 77 Y 3.9691 9.2808 118.9044 57.7135 39.6083 167.9337 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 S 8.33 4.26 0.00 3.86 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 2 R 7.49 3.45 0.00 2.04 1.96 0.00 3.29 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 3 V 7.47 4.74 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 0.77 0.00 0.00 0.97 0.00 0.00 4 C 8.51 3.97 0.00 3.03 3.09 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 5 Q 8.24 4.02 0.00 2.40 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.61 0.00 6 V 8.08 4.15 2.09 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 0.84 0.00 0.00 0.90 0.00 0.00 7 T 7.75 4.48 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 8 G 8.00 3.98 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 0.00 0.00 0.00 9 K 7.92 4.32 0.00 1.74 1.77 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.47 7.81 10 R 8.63 5.97 0.00 1.69 1.90 0.00 3.26 0.00 0.00 3.95 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 11 P 0.00 4.85 0.00 2.10 2.11 0.00 3.78 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 1.96 2.00 0.00 12 V 8.43 4.26 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 0.81 0.00 0.00 1.16 0.00 0.00 13 T 8.17 5.05 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 1.24 0.00 0.00 14 G 8.31 4.36 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 0.00 15 N 8.76 5.27 0.00 2.65 2.75 0.00 0.00 6.78 8.00 0.00 0.00 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 N 9.01 4.27 0.00 2.87 2.81 0.00 0.00 7.41 7.75 0.00 0.00 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 R 8.02 3.41 0.00 1.91 1.91 0.00 3.30 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 18 S 7.82 4.69 0.00 4.03 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 19 H 8.56 4.17 0.00 3.12 3.34 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.79 3.74 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 21 L 7.77 3.52 0.00 1.80 1.73 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.74 4.85 0.00 2.60 2.79 0.00 0.00 7.19 7.35 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 23 A 8.43 4.22 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 24 T 8.45 4.30 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 1.20 0.00 0.00 25 K 8.84 4.42 0.00 1.64 1.79 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.78 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.42 7.81 26 R 8.81 4.55 0.00 1.46 1.82 0.00 2.38 0.00 0.00 2.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.55 0.00 27 R 7.98 3.71 0.00 2.34 1.99 0.00 2.96 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 28 F 8.80 4.67 0.00 3.08 3.06 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 29 L 8.25 4.55 0.00 1.77 1.68 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.41 0.00 2.07 2.10 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 31 N 8.39 4.37 0.00 2.70 2.78 0.00 0.00 6.96 7.78 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 32 L 7.53 4.26 0.00 1.75 1.60 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.80 4.58 0.00 3.12 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.40 3.89 0.00 4.01 3.92 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 35 H 8.78 4.62 0.00 2.97 2.14 0.00 5.65 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.43 4.61 0.00 1.52 1.51 0.00 3.22 0.00 0.00 3.15 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 37 F 8.47 4.84 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.06 5.10 0.00 3.65 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.40 1.93 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 0.70 0.00 0.00 0.67 0.00 0.00 40 E 6.90 3.25 0.00 2.02 1.92 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 2.64 2.46 0.00 41 S 7.63 4.49 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.36 4.38 0.00 1.80 1.74 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 2.09 2.28 0.00 43 K 7.47 3.07 0.00 1.70 1.65 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.42 7.81 44 R 5.84 4.13 0.00 1.77 1.71 0.00 3.10 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 45 F 8.87 5.44 0.00 3.09 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 46 V 8.65 4.55 2.36 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 0.83 0.00 0.00 1.22 0.00 0.00 47 T 8.12 4.69 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 48 L 8.56 4.87 0.00 1.88 1.67 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.14 4.29 0.00 1.84 1.92 0.00 3.29 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 50 V 7.56 4.54 2.33 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 1.06 0.00 0.00 1.31 0.00 0.00 51 S 8.47 4.82 0.00 4.08 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 52 A 8.44 4.21 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 53 K 9.11 4.29 0.00 1.96 1.94 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 54 G 7.93 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 M 8.19 4.14 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.00 0.00 56 R 8.01 3.97 0.00 2.02 2.00 0.00 3.14 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 57 V 7.81 3.57 2.29 0.00 0.00 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 0.00 0.00 1.02 0.00 0.00 58 I 7.55 3.56 1.79 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.42 0.42 0.00 0.00 59 D 8.24 4.33 0.00 2.62 2.72 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 60 K 7.80 4.15 0.00 1.86 1.84 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 61 K 8.61 4.25 0.00 1.81 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.31 7.81 62 G 8.43 3.92 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 0.00 0.00 0.00 63 I 8.33 3.41 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.38 0.85 0.00 0.00 64 D 7.60 4.84 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.16 4.63 4.31 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 1.21 0.00 0.00 66 V 7.70 4.44 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 0.90 0.00 0.00 0.87 0.00 0.00 67 L 8.46 3.76 0.00 1.43 1.10 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.33 3.77 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 69 E 7.77 4.45 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 70 L 8.45 3.85 0.00 1.83 1.62 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.31 3.88 0.00 1.78 2.07 0.00 3.21 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 72 A 7.58 4.07 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 73 R 7.89 4.06 0.00 1.80 2.07 0.00 3.25 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 74 G 8.17 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 0.00 0.00 0.00 75 E 8.31 4.85 0.00 1.89 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 0.00 2.27 2.25 0.00 76 K 9.10 3.48 0.00 1.93 1.67 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.57 7.81 77 Y 9.28 3.97 0.00 3.11 3.01 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