NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.3382 8.4449 120.2290 55.9417 31.7754 176.2392 13 L 3.8340 7.8904 119.0407 53.8809 42.1281 174.8002 14 S 4.4048 8.5792 118.7496 56.7263 63.6423 172.5753 15 P 4.2909 0.0000 0.0000 64.9969 31.1536 178.1110 16 Q 3.7609 7.5689 118.2607 58.5520 28.5772 177.0296 17 Y 4.7663 7.8623 114.3793 57.3760 38.6665 176.0710 18 N 4.8146 7.8294 119.4809 51.9030 39.6994 175.3392 19 W 4.2425 8.7032 117.7487 59.3820 27.9585 178.6161 20 V 2.8214 6.7385 118.6078 65.5581 31.0666 177.5148 21 A 3.8589 8.3053 120.8194 55.5609 18.1460 179.0493 22 C 4.4618 8.5861 115.3194 59.9527 40.5628 176.6803 23 G 3.5856 8.3469 107.9527 47.7285 0.0000 175.8650 24 I 3.6867 8.0060 122.6457 63.9810 37.0434 178.2059 25 L 3.9251 7.9406 121.0508 58.1411 41.8640 178.6428 26 E 4.0284 8.5254 119.5238 59.2017 29.5678 178.9098 27 G 3.7393 8.4270 106.1190 47.8598 0.0000 175.8447 28 G 3.6574 8.4272 108.8945 47.5240 0.0000 175.8324 29 L 4.0688 8.3242 121.8299 57.2142 41.5590 179.8281 30 K 3.9560 8.3871 118.5789 59.5356 31.8538 179.3647 31 A 4.0277 8.2509 119.7357 54.7653 18.3693 178.8417 32 A 4.2337 8.1161 117.5066 52.3500 18.6496 177.8376 33 G 3.8719 7.9917 105.1529 46.6523 0.0000 175.1765 34 V 4.1914 7.8465 114.2502 60.8615 33.5098 176.0735 35 L 4.5646 7.7586 121.0943 53.4582 43.4020 174.9420 36 E 4.7709 8.2054 123.4363 54.1695 33.8480 174.0354 37 E 4.0045 8.6087 121.1709 57.3118 30.1075 176.6241 38 G 3.8194 8.8047 112.9689 46.0908 0.0000 173.4774 39 Q 4.2825 7.3603 118.4096 55.7496 29.4960 175.5217 40 Y 4.7563 8.7935 119.6492 56.7496 40.4680 176.2572 41 N 4.1671 9.1202 121.9705 57.4284 38.9637 177.1122 42 R 3.8917 8.4470 119.5397 59.5885 30.0828 178.3089 43 E 3.9755 8.2060 117.7682 59.2447 29.4932 178.8366 44 L 3.9418 7.9667 120.0996 58.1339 42.1737 178.7246 45 A 3.9884 8.1991 120.7934 55.4253 18.2677 179.4962 46 E 3.9258 8.5129 116.9059 59.4044 29.5883 179.5184 47 A 4.0086 8.2046 120.8852 55.0974 18.4753 179.7370 48 I 3.6412 8.0813 118.3576 64.5612 36.9753 178.4486 49 A 4.2054 8.1937 121.3553 55.2025 17.9437 179.5214 50 A 3.9897 7.9948 118.2991 55.3338 18.6081 179.7415 51 K 4.2569 7.9837 115.0451 58.4830 32.3084 179.0418 52 G 4.0939 7.7857 106.0385 44.4488 0.0000 174.1289 53 E 4.2558 7.4724 120.6192 56.4049 30.5599 177.3834 54 G 4.0181 8.7708 107.9891 44.9126 0.0000 172.8736 55 F 3.7550 8.6874 120.3461 61.5945 39.1089 178.5381 56 W 4.5791 8.0835 117.8925 59.9335 28.7837 178.6047 57 T 4.1843 8.1073 108.8596 64.8611 68.2896 176.3065 58 T 3.9702 7.6217 112.1391 64.7974 68.9653 176.3992 59 Q 3.9542 7.5690 119.2457 56.0251 29.0349 176.1685 60 F 4.7310 7.9395 118.5136 54.3342 41.9111 173.5499 61 P 4.2896 0.0000 0.0000 65.9394 31.0415 178.1458 62 Q 4.0448 8.3294 117.5767 59.4735 28.7869 178.5755 63 I 4.0124 7.8662 120.3031 64.0809 37.4104 178.1059 64 G 3.8640 8.4002 106.7295 48.2835 0.0000 175.4299 65 D 4.4299 8.5743 121.5646 56.6395 40.7826 178.4948 66 W 4.0620 8.5842 129.1708 60.4475 30.5436 177.3091 67 N 4.5215 8.8656 117.1405 57.0918 38.4097 176.6727 68 E 3.9797 8.1943 119.7052 59.4219 29.5645 179.0836 69 D 4.2542 8.3554 119.2965 57.6209 40.8387 179.0057 70 Q 3.6937 7.8313 118.2596 58.3667 28.4576 178.5027 71 A 3.9094 8.0181 121.8704 55.0191 18.4389 179.5076 72 A 3.8794 8.1356 119.1488 55.2663 18.4751 179.7604 73 A 3.9200 8.0090 119.3053 55.1531 18.4195 179.6615 74 L 3.9018 8.1721 118.8800 58.2103 42.1496 179.0564 75 A 4.0305 8.2747 120.9551 55.1476 18.1957 179.3858 76 D 4.3007 8.2030 117.5101 57.6032 40.9289 179.0794 77 R 4.0659 8.2023 118.3491 59.3506 29.9929 178.9932 78 A 4.0671 8.2465 120.5664 55.1213 18.1158 179.4840 79 Q 3.8900 8.2344 118.1751 59.6640 28.9254 178.5050 80 T 3.8691 7.8707 115.8390 66.7536 68.5477 175.2072 81 C 4.7155 8.1023 115.2647 56.9637 40.2759 174.1371 82 G 3.9045 7.9460 108.7988 46.4809 0.0000 174.8498 83 L 4.3998 8.1428 121.0296 55.3538 42.4125 177.1069 84 V 4.6926 7.2675 109.5107 59.2126 36.0131 175.3824 85 K 4.3318 8.9336 122.1335 55.7297 33.2626 176.7870 86 A 4.6753 8.4959 125.0574 51.4360 19.3011 177.3969 87 D 4.4383 8.6523 119.1972 54.7216 40.9177 176.5789 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 12 E 8.44 4.34 0.00 1.97 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 0.00 2.22 2.41 0.00 13 L 7.89 3.83 0.00 1.74 1.66 0.96 0.59 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 14 S 8.58 4.40 0.00 3.92 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 15 P 0.00 4.29 0.00 2.19 2.26 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 16 Q 7.57 3.76 0.00 1.71 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.39 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 17 Y 7.86 4.77 0.00 2.94 2.89 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 18 N 7.83 4.81 0.00 2.94 2.97 0.00 0.00 6.77 8.81 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 19 W 8.70 4.24 0.00 3.66 3.41 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 20 V 6.74 2.82 1.65 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 0.79 0.00 0.00 -0.70 0.00 0.00 21 A 8.31 3.86 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 22 C 8.59 4.46 0.00 3.15 3.24 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 0.00 23 G 8.35 3.59 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 0.00 0.00 0.00 24 I 8.01 3.69 1.95 0.00 0.00 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 1.36 0.77 0.88 0.00 0.00 25 L 7.94 3.93 0.00 1.76 1.86 0.93 0.70 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 26 E 8.53 4.03 0.00 2.10 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 0.00 2.33 2.35 0.00 27 G 8.43 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 28 G 8.43 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.07 0.00 1.70 1.75 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.39 3.96 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.63 7.81 31 A 8.25 4.03 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 32 A 8.12 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.99 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 34 V 7.85 4.19 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 0.82 0.00 0.00 1.02 0.00 0.00 35 L 7.76 4.56 0.00 1.59 1.57 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.21 4.77 0.00 2.01 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 2.29 2.28 0.00 37 E 8.61 4.00 0.00 1.89 1.83 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 2.27 2.34 0.00 38 G 8.80 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 39 Q 7.36 4.28 0.00 2.43 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 40 Y 8.79 4.76 0.00 3.04 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 41 N 9.12 4.17 0.00 2.96 3.09 0.00 0.00 7.01 7.61 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 42 R 8.45 3.89 0.00 2.25 1.94 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 43 E 8.21 3.98 0.00 2.32 2.03 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 2.46 2.47 0.00 44 L 7.97 3.94 0.00 1.80 1.85 0.98 1.14 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 45 A 8.20 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.51 3.93 0.00 2.17 2.03 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 2.34 2.51 0.00 47 A 8.20 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.08 3.64 2.02 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 1.48 0.90 0.93 0.00 0.00 49 A 8.19 4.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.99 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 51 K 7.98 4.26 0.00 1.94 1.92 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.62 7.81 52 G 7.79 4.09 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 0.00 0.00 0.00 53 E 7.47 4.26 0.00 2.12 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 2.40 2.57 0.00 54 G 8.77 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 0.00 0.00 0.00 55 F 8.69 3.75 0.00 2.91 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.08 4.58 0.00 3.55 3.29 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 0.00 0.00 0.00 0.00 57 T 8.11 4.18 4.34 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 1.42 0.00 0.00 58 T 7.62 3.97 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 1.21 0.00 0.00 59 Q 7.57 3.95 0.00 1.88 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 1.57 1.28 0.00 60 F 7.94 4.73 0.00 3.16 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 61 P 0.00 4.29 0.00 2.22 2.16 0.00 3.70 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 2.14 2.17 0.00 62 Q 8.33 4.04 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 63 I 7.87 4.01 2.34 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.85 1.05 0.00 0.00 64 G 8.40 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 65 D 8.57 4.43 0.00 2.94 2.79 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 66 W 8.58 4.06 0.00 3.56 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.87 4.52 0.00 3.19 3.18 0.00 0.00 7.27 8.42 0.00 0.00 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 E 8.19 3.98 0.00 2.09 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 2.35 2.58 0.00 69 D 8.36 4.25 0.00 2.56 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 0.00 0.00 0.00 0.00 70 Q 7.83 3.69 0.00 1.34 1.63 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 1.16 1.16 0.00 71 A 8.02 3.91 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 72 A 8.14 3.88 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 73 A 8.01 3.92 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.17 3.90 0.00 1.85 1.80 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.27 4.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.20 4.30 0.00 2.92 2.73 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 77 R 8.20 4.07 0.00 2.10 2.13 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 78 A 8.25 4.07 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 79 Q 8.23 3.89 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 80 T 7.87 3.87 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 0.45 0.00 0.00 81 C 8.10 4.72 0.00 3.27 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 G 7.95 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 0.00 0.00 0.00 83 L 8.14 4.40 0.00 1.71 1.75 0.96 1.18 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 84 V 7.27 4.69 2.17 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 0.73 0.00 0.00 0.97 0.00 0.00 85 K 8.93 4.33 0.00 1.17 1.60 0.00 0.77 0.00 0.00 1.15 0.00 0.00 2.64 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.28 1.13 7.81 86 A 8.50 4.68 1.26 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 0.00 0.00 0.00 87 D 8.65 4.44 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00