NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 M 4.3221 8.3001 120.3348 54.8860 34.1982 175.8744 14 A 4.3164 7.5011 119.8637 49.9750 19.3399 176.0913 15 P 3.0679 0.0000 0.0000 64.4621 32.2037 176.0374 16 A 4.0894 7.6337 120.1394 52.5024 19.5483 177.9520 17 L 4.2911 7.2700 116.4551 56.6986 42.2598 178.1276 18 V 4.0040 7.7335 117.4613 65.3814 31.7178 177.4935 19 A 4.1180 7.7138 120.3931 54.6446 18.2464 179.1106 20 A 4.0642 7.9350 117.7542 54.0701 18.2144 178.5831 21 F 4.5376 7.7248 114.3052 56.4230 39.9107 175.5811 22 G 4.0131 8.3664 110.1043 46.5405 0.0000 173.8252 23 G 4.2568 8.9368 104.4960 42.5675 0.0000 174.4085 24 K 4.5139 8.6960 123.0250 59.2181 32.1426 177.3139 25 E 4.2280 8.1180 114.2650 57.2563 30.2315 176.2741 26 N 4.7626 9.6158 117.3424 53.3807 40.8753 173.5320 27 I 4.3981 7.6627 118.6813 60.6044 36.8925 175.3230 28 T 4.1769 8.4413 117.2812 64.1099 69.9198 174.9526 29 N 4.8319 8.3110 120.9887 51.9684 42.6094 173.2145 30 L 4.7072 8.5295 126.6276 53.4502 42.8220 175.2306 31 D 4.9098 8.0016 123.0722 52.9409 45.1744 174.1538 32 A 4.5369 8.1930 119.8487 51.0159 21.5383 176.4548 33 C 4.6141 8.1592 121.7387 58.4399 29.4057 175.4985 34 I 3.9563 8.5126 116.7360 63.7367 37.1404 176.4021 35 T 5.1845 7.7491 110.5459 60.3160 68.8973 172.6582 36 R 5.1009 7.7358 119.2161 54.2108 33.6820 174.9584 37 L 4.9163 7.7613 118.9839 53.7898 40.3760 177.6043 38 R 4.3510 8.0853 121.8135 57.1239 30.4553 174.3476 39 V 4.4871 8.8606 124.1164 60.8052 34.2147 174.1022 40 S 5.0466 8.8041 124.2780 57.4679 64.3486 174.5073 41 V 4.7526 8.2173 118.2032 60.2891 33.1395 175.7212 42 A 4.4622 8.7260 122.4259 53.2779 20.5406 177.3707 43 D 4.4472 8.0063 114.8027 52.9417 43.0350 176.0652 44 V 3.8099 8.4673 121.3270 64.0686 31.9888 178.9859 45 S 4.1463 8.3243 115.3913 61.5058 62.6814 175.4252 46 K 4.1498 7.7797 116.7107 57.2304 32.0832 177.1584 47 V 3.7040 7.4262 120.5336 62.2826 31.2329 175.1236 48 D 4.5407 8.8318 128.6437 53.4585 40.4936 176.6729 49 Q 3.9545 8.5909 127.1634 59.1081 28.7964 177.7998 50 A 4.0616 8.1553 121.7525 54.6485 18.2509 179.2743 51 G 3.8731 8.3163 103.4956 47.9601 0.0000 175.1106 52 L 4.2698 7.5591 120.1117 57.8198 41.9225 179.9229 53 K 4.1698 7.7905 119.1341 58.0325 31.6260 178.2667 54 K 4.3791 8.0000 118.7269 56.1451 32.2061 176.5978 55 L 4.7544 8.6304 115.1569 54.0753 43.3647 176.0604 56 G 3.4421 7.3149 112.0246 45.3700 0.0000 174.3551 57 A 3.1495 6.5356 124.3476 52.3431 18.4899 177.6011 58 A 4.2734 8.7923 126.0302 52.1055 19.8274 177.2969 59 G 4.0627 6.6957 101.8418 45.6034 0.0000 172.7561 60 V 4.8665 8.4204 121.2919 60.8638 34.2763 174.7553 61 V 4.0580 8.4137 128.5069 61.4720 32.7231 175.6852 62 V 4.5363 8.1904 129.4474 61.3063 29.8593 174.4516 63 A 4.3941 8.3414 125.2070 51.4270 20.0194 179.8018 64 G 3.9709 8.8158 116.1313 47.5607 0.0000 173.2377 65 S 4.7109 9.2142 120.4222 57.5551 64.5293 172.9210 66 G 4.4512 7.9310 107.9023 44.6787 0.0000 173.0504 67 V 4.7802 9.2093 125.2085 62.1712 34.3008 175.1524 68 Q 4.8790 8.7891 123.0029 54.0780 31.7751 173.5009 69 A 4.5665 8.7208 126.5712 51.6564 20.0720 176.4426 70 I 4.4062 8.6925 125.2211 60.7609 36.2092 175.9637 71 F 3.8058 8.5081 122.7755 57.1923 40.8535 175.6757 72 G 4.3099 8.1590 103.9631 44.2258 0.0000 176.5433 73 T 4.0174 8.7972 116.8937 66.0867 68.8561 176.3540 74 K 4.0301 8.0655 120.1915 58.4053 32.0039 178.9061 75 S 4.3202 7.4944 116.4258 61.7434 62.6237 175.8246 76 D 4.3390 8.1382 119.4375 57.2747 41.0835 177.5215 77 N 4.5245 7.8801 116.6667 56.0917 39.3763 176.7712 78 L 3.9428 8.5914 121.4954 57.5780 41.4975 179.4244 79 K 3.9225 8.1954 119.6634 59.5324 31.5051 179.0529 80 T 4.0508 7.7584 116.2382 66.4202 68.2140 176.7857 81 E 4.0214 7.9343 119.2277 59.6121 29.3202 178.7920 82 M 4.2521 8.0494 118.6588 57.9387 31.8324 178.1139 83 D 4.3953 7.5960 116.1560 56.7016 41.1597 177.3331 84 E 4.1846 7.9453 118.6474 58.0328 29.5952 176.0574 85 Y 4.4102 7.4394 119.0913 58.2768 38.9868 176.1668 86 I 4.2441 7.7027 118.0085 61.3234 40.7352 175.6664 87 R 4.1428 7.6152 122.9909 56.2398 29.8637 175.3259 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 13 M 8.30 4.32 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 14 A 7.50 4.32 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 15 P 0.00 3.07 0.00 1.60 1.16 0.00 3.44 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 16 A 7.63 4.09 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 17 L 7.27 4.29 0.00 1.76 1.84 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.73 4.00 2.28 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 1.11 0.00 0.00 1.14 0.00 0.00 19 A 7.71 4.12 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 20 A 7.93 4.06 1.30 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 0.00 0.00 0.00 21 F 7.72 4.54 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 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 0.00 0.00 0.00 23 G 8.94 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 0.00 0.00 0.00 0.00 24 K 8.70 4.51 0.00 1.71 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 25 E 8.12 4.23 0.00 2.10 2.06 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 2.28 2.37 0.00 26 N 9.62 4.76 0.00 2.75 2.85 0.00 0.00 7.04 7.69 0.00 0.00 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 I 7.66 4.40 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.73 0.77 0.00 0.00 28 T 8.44 4.18 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 1.24 0.00 0.00 29 N 8.31 4.83 0.00 2.76 2.62 0.00 0.00 7.09 6.35 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 30 L 8.53 4.71 0.00 1.49 1.49 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.00 4.91 0.00 2.93 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.54 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.16 4.61 0.00 3.21 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 34 I 8.51 3.96 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 1.31 0.82 0.92 0.00 0.00 35 T 7.75 5.18 4.27 0.00 0.00 0.00 0.00 0.00 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 36 R 7.74 5.10 0.00 1.79 1.89 0.00 3.33 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 37 L 7.76 4.92 0.00 1.61 1.78 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.09 4.35 0.00 1.96 1.87 0.00 3.22 0.00 0.00 3.40 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 39 V 8.86 4.49 1.73 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 0.55 0.00 0.00 0.57 0.00 0.00 40 S 8.80 5.05 0.00 3.80 3.78 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 41 V 8.22 4.75 2.34 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 0.82 0.00 0.00 1.04 0.00 0.00 42 A 8.73 4.46 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 43 D 8.01 4.45 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.47 3.81 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 0.71 0.00 0.00 0.95 0.00 0.00 45 S 8.32 4.15 0.00 4.08 3.94 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 0.00 0.00 0.00 46 K 7.78 4.15 0.00 1.94 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.68 7.81 47 V 7.43 3.70 2.14 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 0.66 0.00 0.00 0.99 0.00 0.00 48 D 8.83 4.54 0.00 2.68 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 49 Q 8.59 3.95 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 50 A 8.16 4.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 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 52 L 7.56 4.27 0.00 1.82 1.74 0.60 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.79 4.17 0.00 1.84 1.77 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.39 7.81 54 K 8.00 4.38 0.00 1.68 1.78 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 55 L 8.63 4.75 0.00 2.15 1.90 1.01 0.76 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 56 G 7.31 3.44 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 0.00 0.00 0.00 0.00 57 A 6.54 3.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.79 4.27 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 59 G 6.70 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 0.00 0.00 0.00 60 V 8.42 4.87 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 0.86 0.00 0.00 0.88 0.00 0.00 61 V 8.41 4.06 2.11 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 0.88 0.00 0.00 0.95 0.00 0.00 62 V 8.19 4.54 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 0.87 0.00 0.00 0.94 0.00 0.00 63 A 8.34 4.39 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.82 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 65 S 9.21 4.71 0.00 3.89 4.08 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 0.00 0.00 0.00 0.00 66 G 7.93 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.21 4.78 2.45 0.00 0.00 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 1.06 0.00 0.00 68 Q 8.79 4.88 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 69 A 8.72 4.57 1.73 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 70 I 8.69 4.41 1.95 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 1.26 1.09 0.91 0.00 0.00 71 F 8.51 3.81 0.00 2.86 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.16 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 0.00 0.00 0.00 0.00 73 T 8.80 4.02 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 74 K 8.07 4.03 0.00 1.89 1.88 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.58 7.81 75 S 7.49 4.32 0.00 3.90 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 76 D 8.14 4.34 0.00 2.65 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 N 7.88 4.52 0.00 2.86 2.90 0.00 0.00 7.25 6.66 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 78 L 8.59 3.94 0.00 1.67 1.52 0.46 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.20 3.92 0.00 1.77 1.76 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.40 7.81 80 T 7.76 4.05 4.37 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 1.20 0.00 0.00 81 E 7.93 4.02 0.00 2.04 1.97 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 2.39 2.30 0.00 82 M 8.05 4.25 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 83 D 7.60 4.40 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.95 4.18 0.00 2.13 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 2.35 2.33 0.00 85 Y 7.44 4.41 0.00 2.90 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 86 I 7.70 4.24 1.94 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 1.24 0.77 0.86 0.00 0.00 87 R 7.62 4.14 0.00 1.76 1.76 0.00 3.28 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00