NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.9345 8.3093 119.4915 57.5263 40.1684 173.5497 2 E 4.4920 8.6025 119.1292 54.4846 32.4439 173.7393 3 N 4.6232 8.6269 120.2955 53.3102 38.6196 175.6688 4 R 4.6698 8.2057 123.4701 55.8270 30.5449 178.9217 5 V 3.6242 8.6191 120.6874 66.9655 31.4966 177.0943 6 A 4.3397 8.0653 121.4042 54.6692 18.2191 179.0839 7 E 3.9243 8.1284 117.1216 59.4062 29.8517 179.0401 8 K 4.2104 7.9226 117.3021 59.1146 31.8298 179.4488 9 Q 4.1267 8.2513 118.7212 58.9120 28.5299 178.8820 10 K 3.9896 7.9001 118.9682 59.3981 31.8992 179.0314 11 L 3.7901 7.4731 118.7270 58.2225 42.0520 178.6603 12 F 4.3767 8.0854 115.2708 59.1337 39.1765 176.9051 13 Q 4.4836 7.8146 116.1354 54.8760 29.1634 175.4219 14 E 3.8542 7.3328 121.8934 56.3973 30.3620 177.6706 15 D 4.6799 8.5601 129.3911 54.2423 39.4666 175.4560 16 N 4.6138 7.9277 113.9178 52.3180 38.1206 176.2991 17 G 3.8979 8.0335 105.0729 46.3382 0.0000 173.6451 18 L 4.4300 7.8563 119.7458 52.4912 42.8722 175.1682 19 P 4.4893 0.0000 0.0000 62.1068 32.1623 177.4195 20 V 3.6301 8.6226 119.9060 65.4295 30.9645 177.4655 21 H 4.6381 8.1695 112.6983 56.4706 28.8579 175.3533 22 L 4.6592 8.0941 119.1478 54.3899 43.6719 178.2060 23 K 3.9039 7.7150 117.9685 58.7310 32.0948 177.6064 24 G 3.7004 8.3250 106.3713 46.7101 0.0000 173.8331 25 G 3.6209 7.3248 106.4151 44.6642 0.0000 173.8482 26 A 4.3078 8.5435 121.1514 54.9930 18.3542 180.2092 27 T 3.8974 7.8849 108.4049 64.9784 69.0357 176.2412 28 D 4.4267 8.2382 121.3301 57.3450 40.7654 178.3564 29 N 4.4895 7.7534 117.1568 56.6975 39.0021 177.0199 30 I 3.7473 7.5661 114.6424 63.8614 37.6967 178.1320 31 L 3.9500 8.2986 121.1293 57.6874 41.4467 178.4933 32 Y 4.2992 8.5152 119.6982 61.3102 38.7779 178.7859 33 R 3.5309 8.2052 118.6525 58.8594 30.0482 179.4189 34 V 3.5376 8.1184 118.6995 66.1224 31.5094 178.1905 35 T 3.8419 8.3203 115.7668 67.1075 68.3742 176.5332 36 M 3.9851 8.0811 120.7481 58.5389 31.8614 179.1229 37 T 3.8114 7.7097 115.6570 66.6334 68.7045 176.6828 38 L 3.9936 7.9548 120.8233 57.9693 41.5726 179.3815 39 C 4.1030 8.2296 116.5705 62.9199 28.0629 176.2812 40 L 4.0979 8.0980 120.5030 57.6530 41.2149 179.7513 41 G 3.7553 8.7184 106.1114 47.9602 0.0000 175.9492 42 G 3.8358 8.7352 109.0557 47.6793 0.0000 175.8749 43 T 3.9720 8.3111 118.4434 66.4051 68.4590 176.7483 44 L 4.0669 8.2796 121.1192 57.8931 41.6966 178.7554 45 Y 4.5840 8.5323 120.1794 61.0394 38.7032 178.4847 46 S 3.9296 8.6175 115.4590 61.4058 63.0453 176.3407 47 L 4.0204 8.1129 122.5951 57.5861 41.3247 178.8895 48 Y 4.2283 8.1836 119.3871 61.0475 38.7495 177.7733 49 C 3.9622 8.0007 117.5777 62.6923 28.1872 175.7601 50 L 3.9171 8.2775 122.3432 58.1088 41.3732 179.2080 51 G 3.7108 7.7909 104.1047 47.6463 0.0000 174.7971 52 W 4.4742 8.0593 131.4196 60.2327 30.4202 177.9985 53 A 3.6905 7.8389 118.8530 54.8032 17.7338 179.4053 54 S 3.9972 7.8844 113.3269 59.9792 63.1986 174.6233 55 F 4.6190 7.4646 119.0295 54.4009 40.6656 173.7147 56 P 4.3080 0.0000 0.0000 64.0271 30.6465 176.0327 57 H 4.8660 8.1540 122.8115 52.3982 28.1618 175.0160 58 K 4.1184 7.9008 121.3421 57.3990 31.7365 176.0465 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 F 8.31 4.93 0.00 2.90 3.07 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 0.00 0.00 0.00 0.00 2 E 8.60 4.49 0.00 2.12 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 2.18 2.38 0.00 3 N 8.63 4.62 0.00 2.73 2.84 0.00 0.00 6.88 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 4 R 8.21 4.67 0.00 1.99 2.12 0.00 3.23 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 5 V 8.62 3.62 2.25 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 1.02 0.00 0.00 0.96 0.00 0.00 6 A 8.07 4.34 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.13 3.92 0.00 2.06 2.18 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 2.38 2.40 0.00 8 K 7.92 4.21 0.00 2.18 2.08 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.65 7.81 9 Q 8.25 4.13 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 10 K 7.90 3.99 0.00 1.94 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.60 7.81 11 L 7.47 3.79 0.00 1.52 1.58 0.67 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.09 4.38 0.00 3.22 3.11 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 0.00 0.00 0.00 0.00 13 Q 7.81 4.48 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 14 E 7.33 3.85 0.00 2.07 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 2.29 2.23 0.00 15 D 8.56 4.68 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.61 0.00 2.82 2.86 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.03 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 18 L 7.86 4.43 0.00 1.82 1.56 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.49 0.00 2.21 2.16 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 20 V 8.62 3.63 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 0.84 0.00 0.00 0.91 0.00 0.00 21 H 8.17 4.64 0.00 3.25 3.41 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.09 4.66 0.00 1.53 1.60 0.75 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.72 3.90 0.00 2.01 2.11 0.00 2.06 0.00 0.00 1.93 0.00 0.00 3.13 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.47 1.53 7.81 24 G 8.32 3.70 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 0.00 0.00 0.00 25 G 7.32 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 4.31 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 27 T 7.88 3.90 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 1.23 0.00 0.00 28 D 8.24 4.43 0.00 2.97 3.07 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 0.00 0.00 0.00 0.00 29 N 7.75 4.49 0.00 2.90 3.03 0.00 0.00 6.99 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 30 I 7.57 3.75 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.01 0.97 0.00 0.00 31 L 8.30 3.95 0.00 2.04 1.84 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.52 4.30 0.00 3.11 3.31 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 33 R 8.21 3.53 0.00 2.02 1.88 0.00 3.39 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.75 0.00 34 V 8.12 3.54 2.24 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 1.03 0.00 0.00 0.95 0.00 0.00 35 T 8.32 3.84 4.40 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 1.24 0.00 0.00 36 M 8.08 3.99 0.00 1.82 1.73 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.47 0.00 37 T 7.71 3.81 4.39 0.00 0.00 0.00 0.00 0.00 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 38 L 7.95 3.99 0.00 1.83 1.73 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.23 4.10 0.00 3.10 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.10 0.00 1.69 1.72 0.91 0.78 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 41 G 8.72 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.74 3.84 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 0.00 0.00 0.00 43 T 8.31 3.97 4.42 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 0.00 0.00 0.00 1.24 0.00 0.00 44 L 8.28 4.07 0.00 1.96 1.80 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.53 4.58 0.00 3.02 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 46 S 8.62 3.93 0.00 3.98 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 47 L 8.11 4.02 0.00 2.11 1.85 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.18 4.23 0.00 3.19 3.38 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 49 C 8.00 3.96 0.00 2.97 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 3.92 0.00 1.66 1.90 0.92 0.85 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 51 G 7.79 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 52 W 8.06 4.47 0.00 2.89 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 53 A 7.84 3.69 0.97 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 54 S 7.88 4.00 0.00 4.06 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 4.62 0.00 3.16 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 56 P 0.00 4.31 0.00 2.20 2.12 0.00 3.88 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 57 H 8.15 4.87 0.00 3.37 3.66 0.00 5.93 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.90 4.12 0.00 1.83 1.76 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.30 7.81