NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 55 R 4.3203 8.2549 119.7076 55.8856 31.2871 175.0657 56 K 4.0200 7.7301 117.5194 56.0816 33.2527 175.6420 57 R 4.6215 8.3456 119.5760 54.4694 33.6628 176.3684 58 N 4.5181 8.6763 122.0210 52.6086 37.0629 171.7474 59 R 4.4950 8.0047 120.1770 54.0350 31.2568 175.0745 60 I 4.3649 8.1027 126.8632 58.6149 38.6473 174.1940 61 P 4.3636 0.0000 0.0000 63.4038 31.3605 176.2574 62 L 4.4293 8.4132 119.8134 55.7405 42.4163 177.3211 63 S 4.6148 7.8175 114.5747 57.8240 63.8892 174.0813 64 C 3.9482 8.2398 117.6090 57.8394 31.4812 174.4857 65 T 3.7678 7.7534 113.4105 65.4560 67.9839 176.7013 66 I 3.6255 7.3854 121.6134 64.3567 37.2637 177.9582 67 C 4.1533 7.9112 117.0730 62.7590 27.7233 176.0906 68 R 3.8748 7.7926 119.3616 59.4337 29.7855 178.4983 69 K 4.1160 8.1111 117.4723 59.2366 32.1355 179.0565 70 R 4.1082 8.4148 117.0127 55.8227 30.7683 176.3261 71 K 3.7776 8.1719 117.2869 57.9552 29.6078 174.9183 72 V 4.4013 7.4240 110.3037 58.8329 34.8655 175.4561 73 K 4.1073 8.4086 122.0777 56.3855 32.4456 175.1917 74 C 4.7539 8.5142 126.5393 57.5595 33.0496 173.1667 75 D 4.4317 8.7254 126.4277 54.2481 39.6235 177.5027 76 K 4.3626 8.3067 116.3458 56.7955 29.4497 175.8238 77 L 4.0273 8.1094 120.2309 55.6747 42.3685 176.2865 78 R 4.7978 8.2507 122.9874 53.8568 32.5060 174.5597 79 P 4.5640 0.0000 0.0000 64.2316 32.1308 175.8599 80 H 5.0965 7.8770 115.9185 53.4858 31.9355 173.6334 81 C 4.6240 8.4932 118.8669 58.0005 31.9916 174.9287 82 Q 4.0438 9.3868 121.5622 58.8384 28.3279 179.1825 83 Q 3.9309 8.2258 121.0061 59.4236 29.1168 177.9869 84 C 4.1553 7.9619 117.2785 62.9636 28.2867 176.0948 85 T 3.8200 8.0297 117.3179 66.7124 67.9009 177.0084 86 K 4.1046 8.2812 119.4277 58.6033 31.9785 177.9340 87 T 4.3786 7.3720 107.1473 61.0374 68.7947 174.7156 88 G 3.9454 8.0712 108.3395 47.1099 0.0000 174.7157 89 V 4.4267 8.1427 111.2979 60.6173 33.3550 178.0082 90 A 3.8141 8.3277 123.5916 56.1802 18.0831 180.0931 91 H 4.2655 7.8109 108.0718 56.5943 28.5613 176.1683 92 L 4.4120 7.8050 119.7485 54.9437 42.3209 176.0861 93 C 4.3835 7.7291 120.9815 59.2093 32.0287 172.2593 94 H 4.9346 8.1266 119.7865 55.1117 31.4734 171.6661 95 Y 4.9615 8.5241 115.6017 56.1442 41.6720 175.4841 96 M 4.2514 8.6231 121.1831 55.0041 32.8777 176.4255 97 E 4.0295 8.5565 122.2491 56.4168 30.5258 176.4086 98 Q 4.1093 8.0262 122.1488 54.2629 30.6772 176.7487 99 T 3.7427 8.1306 119.4185 66.5026 68.5861 175.7340 100 W 4.5602 7.3936 114.2631 56.8765 28.6387 176.6760 101 A 4.7426 7.6462 121.4315 52.6413 19.7596 178.3996 102 E 3.7981 7.5311 117.7480 59.7661 29.6056 179.1634 103 E 3.9440 8.2088 117.4000 59.5102 29.6827 179.1781 104 A 4.0825 8.0227 120.1284 54.7202 18.3591 179.2865 105 E 3.8017 8.3788 118.4726 59.3844 29.8384 178.4899 106 K 3.7991 8.3600 120.1291 59.7906 32.0106 178.4274 107 E 3.8973 8.1750 118.4135 59.3238 29.4874 178.7789 108 L 3.9299 7.7970 120.2694 58.4294 42.0314 179.1045 109 L 3.9937 8.1014 118.7617 57.6927 41.5470 179.4687 110 K 3.9400 8.1304 119.6204 59.5485 32.1054 178.6653 111 D 4.3616 8.3965 119.5459 57.3175 40.6415 178.2531 112 N 4.3130 8.1402 117.6860 56.5935 38.9154 176.6183 113 E 3.9233 8.4680 121.0419 59.1533 29.7252 178.8348 114 L 3.9892 7.9966 119.1689 57.4515 41.7648 179.1873 115 K 3.8791 7.9674 119.5717 59.7313 32.1901 179.0404 116 K 4.0469 8.3251 118.8299 59.3488 32.0183 179.4523 117 L 4.0422 8.3840 119.7745 57.8368 41.4691 179.8343 118 R 3.9928 8.1978 118.1507 59.1855 29.9568 178.8820 119 E 4.0020 8.1148 117.9615 59.1314 29.3619 179.4061 120 R 3.8834 7.9949 119.1334 59.1733 30.0711 178.6994 121 V 3.5629 7.8020 118.1280 65.8737 31.5495 177.9096 122 K 3.9002 8.1664 119.4468 59.5422 31.7870 178.7541 123 S 4.1001 8.0336 112.6366 61.2028 62.6600 175.8635 124 L 4.1107 8.3561 122.0416 57.8487 41.3722 179.0156 125 E 3.9984 8.3539 118.6149 59.5331 29.2521 181.0771 126 K 4.4718 8.1486 115.0853 56.8076 32.0805 177.7362 127 T 4.4381 8.4670 115.7399 64.9314 71.2699 174.2225 128 L 4.2265 7.7669 124.2299 55.8165 40.6993 176.2287 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 55 R 8.25 4.32 0.00 1.82 1.99 0.00 3.19 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 56 K 7.73 4.02 0.00 1.83 1.76 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.53 7.81 57 R 8.35 4.62 0.00 1.77 1.83 0.00 3.23 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 58 N 8.68 4.52 0.00 2.67 2.78 0.00 0.00 6.95 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 59 R 8.00 4.50 0.00 1.83 1.85 0.00 3.32 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 60 I 8.10 4.36 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 0.87 0.00 0.00 61 P 0.00 4.36 0.00 2.19 2.09 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 62 L 8.41 4.43 0.00 1.75 1.85 1.11 1.09 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 63 S 7.82 4.61 0.00 3.88 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 64 C 8.24 3.95 0.00 2.57 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 0.00 0.00 0.00 0.00 65 T 7.75 3.77 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 1.03 0.00 0.00 66 I 7.39 3.63 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.86 0.00 0.00 67 C 7.91 4.15 0.00 3.05 2.96 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 68 R 7.79 3.87 0.00 1.96 1.92 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 69 K 8.11 4.12 0.00 1.90 1.83 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.51 7.81 70 R 8.41 4.11 0.00 1.94 1.96 0.00 3.32 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 71 K 8.17 3.78 0.00 1.87 1.91 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.39 7.81 72 V 7.42 4.40 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 0.70 0.00 0.00 0.92 0.00 0.00 73 K 8.41 4.11 0.00 1.72 1.72 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.43 7.81 74 C 8.51 4.75 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.73 4.43 0.00 2.86 2.81 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 0.00 0.00 0.00 76 K 8.31 4.36 0.00 2.00 2.06 0.00 1.86 0.00 0.00 0.61 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.44 7.81 77 L 8.11 4.03 0.00 1.96 1.84 0.94 0.92 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 78 R 8.25 4.80 0.00 1.77 1.76 0.00 3.16 0.00 0.00 2.92 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.38 0.00 79 P 0.00 4.56 0.00 2.07 2.15 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 80 H 7.88 5.10 0.00 3.13 3.24 0.00 5.70 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 81 C 8.49 4.62 0.00 3.58 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.39 4.04 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 83 Q 8.23 3.93 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 84 C 7.96 4.16 0.00 3.12 3.04 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 85 T 8.03 3.82 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 86 K 8.28 4.10 0.00 1.87 1.88 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.50 7.81 87 T 7.37 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 1.31 0.00 0.00 88 G 8.07 3.95 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 0.00 89 V 8.14 4.43 2.04 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 0.71 0.00 0.00 0.93 0.00 0.00 90 A 8.33 3.81 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 0.00 0.00 0.00 0.00 0.00 91 H 7.81 4.27 0.00 3.14 3.32 0.00 5.69 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 92 L 7.80 4.41 0.00 1.83 1.66 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.73 4.38 0.00 2.91 2.90 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 94 H 8.13 4.93 0.00 3.23 3.35 0.00 5.45 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 95 Y 8.52 4.96 0.00 2.92 2.86 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 96 M 8.62 4.25 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 97 E 8.56 4.03 0.00 1.91 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 2.28 2.24 0.00 98 Q 8.03 4.11 0.00 1.13 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.88 0.00 0.00 0.00 0.00 0.00 1.97 1.47 0.00 99 T 8.13 3.74 4.17 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 1.25 0.00 0.00 100 W 7.39 4.56 0.00 3.42 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 0.00 101 A 7.65 4.74 1.19 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 0.00 0.00 102 E 7.53 3.80 0.00 2.28 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 2.44 2.52 0.00 103 E 8.21 3.94 0.00 2.13 2.01 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 2.42 2.46 0.00 104 A 8.02 4.08 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 0.00 105 E 8.38 3.80 0.00 2.27 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 2.29 2.35 0.00 106 K 8.36 3.80 0.00 1.93 2.01 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 107 E 8.18 3.90 0.00 2.26 1.98 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 2.33 2.32 0.00 108 L 7.80 3.93 0.00 1.98 1.68 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.10 3.99 0.00 1.98 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.13 3.94 0.00 1.95 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 111 D 8.40 4.36 0.00 2.99 2.70 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 0.00 112 N 8.14 4.31 0.00 2.77 3.00 0.00 0.00 6.86 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 0.00 113 E 8.47 3.92 0.00 2.20 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 0.00 2.30 2.35 0.00 114 L 8.00 3.99 0.00 1.84 1.70 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.97 3.88 0.00 2.04 1.93 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.64 7.81 116 K 8.33 4.05 0.00 1.79 1.83 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.62 7.81 117 L 8.38 4.04 0.00 1.91 1.72 0.95 0.81 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 0.00 118 R 8.20 3.99 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 119 E 8.11 4.00 0.00 2.20 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 2.33 2.46 0.00 120 R 7.99 3.88 0.00 2.05 2.06 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 121 V 7.80 3.56 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.97 0.00 0.00 122 K 8.17 3.90 0.00 1.87 2.03 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 123 S 8.03 4.10 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.36 4.11 0.00 1.92 1.69 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.35 4.00 0.00 2.13 2.01 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 2.34 2.37 0.00 126 K 8.15 4.47 0.00 2.00 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.52 7.81 127 T 8.47 4.44 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 1.23 0.00 0.00 128 L 7.77 4.23 0.00 1.78 1.64 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00