NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4675 8.1633 118.3249 55.3520 33.6423 173.4293 2 Q 4.8279 8.2123 117.8853 52.5383 31.0954 173.5019 3 I 4.5434 8.9220 117.1095 58.9160 42.2535 173.6127 4 F 5.3472 8.8721 120.6334 55.6095 42.6374 174.7710 5 V 4.7824 9.1426 122.3139 61.1927 34.2333 174.1437 6 K 5.1429 8.9307 128.5115 54.9896 34.1099 177.0190 7 T 4.5113 8.7988 115.6595 60.8239 69.7709 175.5867 8 L 4.1954 8.3872 121.3426 56.8380 41.7374 178.0526 9 T 4.2805 7.9271 107.6971 61.1546 69.0957 175.2984 10 G 3.8625 8.1267 109.8651 45.7436 0.0000 173.4200 11 K 4.3796 7.9706 121.1064 55.7413 33.8249 175.5408 12 T 5.0282 8.4214 122.5896 61.9926 70.7177 173.5923 13 I 4.4511 8.9532 127.8630 60.1877 39.3048 174.6995 14 T 5.0346 8.5497 123.2558 61.9964 70.3524 174.0044 15 L 4.7814 8.8130 125.6685 52.8005 45.7900 174.9564 16 E 4.9411 8.6601 123.2932 55.0315 30.6841 175.2016 17 V 4.7661 8.7535 119.6045 59.9439 36.4413 174.2600 18 E 4.7293 9.3711 120.3097 53.8875 32.8311 175.8428 19 P 4.1298 0.0000 0.0000 65.8071 31.5019 178.2482 20 S 4.4042 7.8853 109.7156 58.9161 63.7861 174.1390 21 D 4.4240 8.1252 123.6380 54.5787 41.2572 176.3339 22 T 4.6970 8.2222 113.8083 61.2061 71.2141 175.8261 23 I 3.7107 8.5906 123.0501 64.6433 37.0031 178.7142 24 E 3.9601 8.1416 118.9447 59.4456 29.3390 178.9016 25 N 4.3120 8.2824 116.5500 56.2910 38.5674 177.6488 26 V 3.5586 7.7974 119.6236 65.9312 31.6261 178.2053 27 K 4.2641 8.5770 119.5661 58.8678 31.8709 179.1315 28 A 4.0356 8.2090 121.1073 55.1546 18.0689 179.8779 29 K 3.9720 8.1130 117.0196 59.5361 31.9737 179.7479 30 I 3.7929 7.8802 120.3130 64.2719 36.9669 177.9987 31 Q 4.0476 8.5060 120.8834 59.5735 28.5910 178.3110 32 D 4.4003 8.0055 118.5666 57.0172 40.8608 178.2891 33 K 4.2962 7.4533 116.1739 57.6339 32.7736 177.8395 34 E 4.6181 8.5846 116.9484 54.9760 30.9686 177.8362 35 G 3.8283 8.3245 106.7473 45.4066 0.0000 173.4246 36 I 4.0986 7.0028 121.5164 59.4288 37.8800 174.2767 37 P 4.3835 0.0000 0.0000 61.8600 32.1148 175.4886 38 P 4.2530 0.0000 0.0000 65.8272 31.5301 178.1265 39 D 4.4702 8.1548 116.3654 55.4643 39.5755 176.9138 40 Q 4.8378 8.3194 118.6876 55.0920 30.0990 174.6932 41 Q 4.9476 8.1481 119.7218 54.1265 31.5472 174.7125 42 R 4.7288 9.1286 122.4654 54.3243 33.5223 174.6361 43 L 5.2186 8.4638 122.5775 53.0145 44.7478 175.2260 44 I 5.0358 8.7666 124.2102 59.5531 40.5647 174.5597 45 F 4.9960 9.1473 127.9642 57.1788 43.0396 174.1729 46 A 3.5561 9.0495 129.0984 53.0948 15.7969 177.7329 47 G 3.9671 8.3589 108.0774 45.8204 0.0000 173.9127 48 K 4.6186 7.7031 119.1617 54.1655 34.8660 174.9472 49 Q 4.5137 8.5071 124.1768 55.9230 29.7417 175.1736 50 L 3.8686 8.7061 127.7420 54.3401 42.7106 176.2830 51 E 4.5606 9.5030 124.2530 54.9085 31.3678 175.9084 52 D 4.6815 8.7059 124.0375 55.6365 41.4237 175.8239 53 G 4.1035 8.3356 112.7361 46.0089 0.0000 174.5224 54 R 4.4616 8.0098 118.3671 55.3039 31.4678 175.3451 55 T 5.0310 8.3010 109.6384 59.8001 71.2667 175.3268 56 L 4.1495 8.6522 122.6167 58.2426 41.5496 180.2164 57 S 4.1689 8.3662 114.0801 61.5602 62.5713 176.2223 58 D 4.3280 7.7562 121.1977 56.5415 40.4537 177.3464 59 Y 4.6412 7.5761 114.6724 56.4577 38.5764 175.0981 60 N 4.1560 8.0733 115.7701 54.1896 36.8944 174.9013 61 I 3.6967 7.7868 118.5673 60.8535 37.3168 176.1501 62 Q 4.5009 8.2773 124.9372 53.3432 30.8502 175.0993 63 R 3.8920 8.2345 114.9101 58.4419 29.2396 176.7102 64 E 4.0511 9.1262 119.3236 56.6404 28.0251 174.9913 65 S 4.5713 7.7448 115.3959 59.0726 64.2857 173.1508 66 T 5.1926 8.6909 118.8349 62.1385 70.2078 174.1001 67 L 5.0003 9.2644 126.4851 53.7211 44.8513 174.9706 68 H 5.2485 9.1827 118.2582 54.0370 31.4911 173.0184 69 L 4.8702 8.8623 126.5731 53.9590 43.1015 175.7480 70 V 4.4920 8.8334 126.5752 61.0412 34.2733 174.7390 71 L 4.9905 8.5917 127.4662 54.4311 42.7982 176.0435 72 R 4.7952 8.8194 117.3076 54.1443 33.4412 174.6107 73 L 4.1948 8.4502 120.1088 54.2218 42.3381 177.3525 74 R 4.1942 7.9705 122.5952 55.8364 30.5611 176.3430 75 G 3.7870 8.6225 114.2804 45.2553 0.0000 173.7086 76 G 3.7296 8.5516 110.8960 45.4504 0.0000 173.5121 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 8.16 4.47 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 2 Q 8.21 4.83 0.00 1.91 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 3 I 8.92 4.54 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.04 0.75 0.00 0.00 4 F 8.87 5.35 0.00 3.06 2.95 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 5 V 9.14 4.78 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 0.94 0.00 0.00 0.91 0.00 0.00 6 K 8.93 5.14 0.00 1.62 1.71 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.35 7.81 7 T 8.80 4.51 4.25 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 1.22 0.00 0.00 8 L 8.39 4.20 0.00 1.67 1.78 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.93 4.28 4.25 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 1.22 0.00 0.00 10 G 8.13 3.86 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 0.00 0.00 0.00 11 K 7.97 4.38 0.00 1.88 1.68 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.42 7.81 12 T 8.42 5.03 4.25 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 1.29 0.00 0.00 13 I 8.95 4.45 1.96 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 1.38 0.61 0.92 0.00 0.00 14 T 8.55 5.03 4.30 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 1.15 0.00 0.00 15 L 8.81 4.78 0.00 1.39 1.43 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.94 0.00 1.90 1.81 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 2.18 2.34 0.00 17 V 8.75 4.77 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 0.67 0.00 0.00 0.83 0.00 0.00 18 E 9.37 4.73 0.00 1.78 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 19 P 0.00 4.13 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 20 S 7.89 4.40 0.00 3.96 3.96 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 21 D 8.13 4.42 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.22 4.70 4.44 0.00 0.00 0.00 0.00 0.00 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 23 I 8.59 3.71 1.99 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 1.87 1.03 0.98 0.00 0.00 24 E 8.14 3.96 0.00 2.05 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 0.00 2.40 2.47 0.00 25 N 8.28 4.31 0.00 2.90 2.85 0.00 0.00 6.66 7.05 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 26 V 7.80 3.56 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 0.98 0.00 0.00 0.91 0.00 0.00 27 K 8.58 4.26 0.00 1.97 1.84 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.46 7.81 28 A 8.21 4.04 1.36 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 29 K 8.11 3.97 0.00 1.97 1.84 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.64 7.81 30 I 7.88 3.79 2.14 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 1.40 0.86 0.91 0.00 0.00 31 Q 8.51 4.05 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 32 D 8.01 4.40 0.00 2.89 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 33 K 7.45 4.30 0.00 1.76 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.60 7.81 34 E 8.58 4.62 0.00 2.04 1.94 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 0.00 2.22 2.42 0.00 35 G 8.32 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 36 I 7.00 4.10 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 1.30 0.76 0.91 0.00 0.00 37 P 0.00 4.38 0.00 2.36 1.97 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.11 0.00 38 P 0.00 4.25 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.15 4.47 0.00 2.90 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 40 Q 8.32 4.84 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.16 0.00 41 Q 8.15 4.95 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 42 R 9.13 4.73 0.00 1.80 1.79 0.00 3.08 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 43 L 8.46 5.22 0.00 1.52 1.51 0.88 0.83 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 44 I 8.77 5.04 1.91 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 1.13 1.06 0.93 0.00 0.00 45 F 9.15 5.00 0.00 3.01 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 46 A 9.05 3.56 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.36 3.97 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 0.00 0.00 0.00 48 K 7.70 4.62 0.00 1.99 1.76 0.00 1.90 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.38 7.81 49 Q 8.51 4.51 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.71 3.87 0.00 1.36 1.24 0.69 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.50 4.56 0.00 2.11 1.95 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 2.35 2.38 0.00 52 D 8.71 4.68 0.00 2.68 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 53 G 8.34 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.01 4.46 0.00 2.27 1.86 0.00 3.05 0.00 0.00 2.78 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 55 T 8.30 5.03 4.49 0.00 0.00 0.00 0.00 0.00 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 56 L 8.65 4.15 0.00 1.85 1.70 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.37 4.17 0.00 4.02 4.18 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 58 D 7.76 4.33 0.00 2.72 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 0.00 0.00 0.00 59 Y 7.58 4.64 0.00 2.91 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 60 N 8.07 4.16 0.00 2.98 2.97 0.00 0.00 6.91 6.79 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 61 I 7.79 3.70 1.75 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.11 0.54 0.00 0.00 62 Q 8.28 4.50 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.99 0.00 0.00 0.00 0.00 0.00 2.61 2.32 0.00 63 R 8.23 3.89 0.00 1.90 1.95 0.00 3.11 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 64 E 9.13 4.05 0.00 2.25 2.41 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 2.28 2.50 0.00 65 S 7.74 4.57 0.00 3.69 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 66 T 8.69 5.19 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 1.18 0.00 0.00 67 L 9.26 5.00 0.00 1.55 1.60 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.18 5.25 0.00 3.04 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.86 4.87 0.00 1.61 1.58 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.83 4.49 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 0.91 0.00 0.00 0.95 0.00 0.00 71 L 8.59 4.99 0.00 1.57 1.58 0.92 0.87 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 72 R 8.82 4.80 0.00 1.80 1.96 0.00 2.77 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 73 L 8.45 4.19 0.00 1.66 1.64 0.92 0.89 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 74 R 7.97 4.19 0.00 1.77 1.84 0.00 3.05 0.00 0.00 4.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 75 G 8.62 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.55 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