NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4689 8.2893 120.3260 54.4469 33.5631 176.1260 2 P 4.4256 0.0000 0.0000 63.7431 29.0037 173.4494 3 R 3.7830 7.4850 125.0591 52.2113 34.0675 176.2601 4 L 5.0265 8.8393 122.0418 52.9131 44.8983 175.6394 5 K 4.7953 8.9750 124.5765 54.8774 34.2685 174.5144 6 V 4.5613 8.2916 121.0986 59.6040 33.8563 175.1573 7 K 4.8009 8.5554 126.6705 54.1645 34.7925 174.8004 8 L 4.2827 8.4925 130.9344 55.5033 42.6293 177.0750 9 V 4.5554 8.8026 119.2634 60.7807 32.9969 175.8948 10 K 4.4876 7.7791 121.4575 54.2694 34.9737 175.6443 11 S 4.1746 8.8699 121.2116 58.3100 62.6926 172.0733 12 P 4.6957 0.0000 0.0000 63.4872 31.7395 175.2876 13 I 3.8095 7.2208 119.5159 65.9556 36.4856 175.6464 14 G 3.9700 8.8496 112.9702 45.3404 0.0000 171.8887 15 Y 4.6652 7.8594 117.0265 55.0084 40.4398 174.3168 16 P 4.3416 0.0000 0.0000 62.8268 33.4679 177.2408 17 K 3.8572 8.8169 120.5348 59.8939 31.9605 178.7692 18 D 4.4333 8.1936 118.4691 57.1660 38.8447 178.7751 19 Q 3.9756 8.1915 119.3285 58.4833 28.3210 179.1767 20 K 4.0620 7.9551 118.8595 59.0802 31.9581 179.3231 21 A 4.0313 8.0844 121.2510 54.7229 18.2134 179.4515 22 A 3.9092 8.2248 119.7614 55.3607 18.3851 179.6979 23 L 3.8867 7.6669 117.4065 57.8924 41.7035 179.7334 24 K 3.8869 7.7297 118.6968 59.5093 31.9253 178.7148 25 A 4.0315 7.9566 120.1185 54.9326 18.3971 178.9324 26 L 4.2529 8.0661 115.6755 55.1488 41.9669 178.1095 27 G 3.8184 7.8282 106.9878 45.4771 0.0000 173.1646 28 L 5.1814 7.8809 119.6519 53.1079 41.7957 175.6779 29 R 4.4021 8.7084 121.2446 57.6316 32.0277 176.9720 30 R 4.3780 7.5199 115.7692 54.9504 31.7152 176.6326 31 L 4.1304 8.1142 119.8076 55.8944 42.2351 178.7597 32 Q 3.7359 9.2002 118.0306 56.4352 27.9057 174.0512 33 Q 4.1796 7.7565 120.5790 56.0422 30.0280 174.5538 34 E 5.0520 8.7226 125.3740 54.9996 32.4518 175.8979 35 R 4.4991 8.8503 121.7922 54.9226 34.5299 174.7159 36 V 4.4303 8.5177 118.6080 60.9097 32.3409 175.5200 37 L 4.8469 8.8205 125.3457 51.5341 45.6819 178.2378 38 E 4.4805 8.6402 118.6518 55.3116 31.2117 178.7633 39 D 4.4421 8.5594 126.3610 55.1002 42.8270 175.6177 40 T 4.0534 7.8633 109.4232 61.2125 70.3411 172.7448 41 P 4.3552 0.0000 0.0000 65.2474 31.1184 179.0386 42 A 3.9900 7.8702 119.5580 55.1929 18.3197 179.4112 43 I 3.7660 7.8906 117.5102 63.4244 37.0768 178.0047 44 R 4.2603 7.5396 118.4536 57.8273 30.3682 178.1199 45 G 3.7352 7.9253 108.0196 48.8102 0.0000 174.9743 46 N 4.5227 7.9707 116.7077 54.4724 38.9053 177.1651 47 V 3.8530 6.8383 117.1097 64.7549 32.5732 177.1127 48 E 4.0673 8.8231 120.0200 59.3348 29.5852 178.7794 49 K 3.7924 7.9177 118.5465 59.4896 32.3109 177.8061 50 V 3.9359 7.2239 109.7833 60.8824 31.9818 177.5266 51 A 3.9292 7.8653 127.1263 55.8209 18.0830 180.0174 52 H 4.4972 7.7772 107.8591 56.7967 29.1515 175.4301 53 L 4.5626 8.2268 120.0531 54.5716 44.3680 176.3343 54 V 4.7555 7.2044 116.7404 60.9122 34.4014 175.1954 55 R 4.5046 8.5671 124.7202 54.6691 32.4680 174.1786 56 V 4.7989 8.4197 126.3707 61.4881 33.4779 174.1804 57 E 4.7792 8.9439 126.3139 54.4058 33.9231 174.2587 58 V 4.6493 8.3517 122.5128 61.1609 33.1715 175.4692 59 V 4.0806 8.2230 127.4343 63.0144 31.2466 175.0871 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 8.29 4.47 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.43 0.00 2.25 2.10 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 3 R 7.49 3.78 0.00 1.97 1.83 0.00 3.08 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 4 L 8.84 5.03 0.00 1.70 1.53 0.92 0.65 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 5 K 8.98 4.80 0.00 1.78 1.66 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.37 7.81 6 V 8.29 4.56 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 0.63 0.00 0.00 0.96 0.00 0.00 7 K 8.56 4.80 0.00 1.80 1.75 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.33 7.81 8 L 8.49 4.28 0.00 1.68 1.54 0.96 1.28 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 9 V 8.80 4.56 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 1.03 0.00 0.00 10 K 7.78 4.49 0.00 1.66 1.60 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.48 7.81 11 S 8.87 4.17 0.00 3.91 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 12 P 0.00 4.70 0.00 2.34 2.28 0.00 3.81 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 2.01 0.00 13 I 7.22 3.81 1.90 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 1.26 0.58 0.92 0.00 0.00 14 G 8.85 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 15 Y 7.86 4.67 0.00 3.14 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 16 P 0.00 4.34 0.00 2.25 2.07 0.00 4.00 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 17 K 8.82 3.86 0.00 1.78 1.89 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.48 7.81 18 D 8.19 4.43 0.00 2.87 2.98 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 0.00 0.00 0.00 19 Q 8.19 3.98 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 20 K 7.96 4.06 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.51 7.81 21 A 8.08 4.03 1.38 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 0.00 0.00 22 A 8.22 3.91 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 23 L 7.67 3.89 0.00 1.82 1.91 0.94 1.25 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 24 K 7.73 3.89 0.00 1.83 2.04 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 A 7.96 4.03 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 26 L 8.07 4.25 0.00 1.73 1.71 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.83 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 28 L 7.88 5.18 0.00 1.62 1.62 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.71 4.40 0.00 1.77 1.93 0.00 3.20 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 30 R 7.52 4.38 0.00 1.80 1.85 0.00 3.21 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 L 8.11 4.13 0.00 1.71 1.59 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.20 3.74 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 33 Q 7.76 4.18 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 34 E 8.72 5.05 0.00 1.87 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 2.22 2.43 0.00 35 R 8.85 4.50 0.00 1.68 1.77 0.00 3.11 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 36 V 8.52 4.43 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 0.68 0.00 0.00 0.93 0.00 0.00 37 L 8.82 4.85 0.00 1.51 1.53 0.95 0.63 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 38 E 8.64 4.48 0.00 1.84 1.59 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 2.31 2.26 0.00 39 D 8.56 4.44 0.00 2.56 2.56 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 40 T 7.86 4.05 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 41 P 0.00 4.36 0.00 2.17 2.13 0.00 3.59 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 2.11 2.14 0.00 42 A 7.87 3.99 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 I 7.89 3.77 1.86 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 1.09 0.90 0.00 0.00 44 R 7.54 4.26 0.00 2.11 1.97 0.00 3.10 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 45 G 7.93 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 46 N 7.97 4.52 0.00 2.75 2.85 0.00 0.00 6.66 7.56 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 47 V 6.84 3.85 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 0.74 0.00 0.00 0.96 0.00 0.00 48 E 8.82 4.07 0.00 2.13 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 2.55 2.38 0.00 49 K 7.92 3.79 0.00 1.87 1.83 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.44 7.81 50 V 7.22 3.94 1.90 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 0.61 0.00 0.00 0.94 0.00 0.00 51 A 7.87 3.93 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 52 H 7.78 4.50 0.00 3.21 3.42 0.00 5.68 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 53 L 8.23 4.56 0.00 1.44 1.69 0.64 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.20 4.76 2.02 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 0.72 0.00 0.00 0.92 0.00 0.00 55 R 8.57 4.50 0.00 1.89 1.72 0.00 3.12 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 56 V 8.42 4.80 2.07 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 0.85 0.00 0.00 0.91 0.00 0.00 57 E 8.94 4.78 0.00 2.04 1.71 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 2.18 2.21 0.00 58 V 8.35 4.65 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 0.91 0.00 0.00 0.93 0.00 0.00 59 V 8.22 4.08 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 0.79 0.00 0.00 0.93 0.00 0.00