NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9473 8.3544 109.7367 46.1100 0.0000 174.0379 2 S 4.4711 7.8313 111.4241 55.1133 63.6640 170.8684 3 P 4.4206 0.0000 0.0000 61.4061 32.9242 175.8112 4 P 4.6131 0.0000 0.0000 63.7684 31.5341 176.1763 5 E 4.6358 7.6065 117.3679 56.6617 29.8934 176.5251 6 A 4.4527 8.0657 122.0147 51.3441 21.2593 177.1238 7 D 4.4683 8.0794 115.2923 55.0416 37.7240 173.2719 8 P 4.4904 0.0000 0.0000 64.5405 32.2868 178.3392 9 R 4.4872 7.8323 114.7018 56.9909 30.4826 178.3583 10 L 4.1253 8.2213 121.2498 58.2457 41.9053 178.5452 11 I 3.6601 7.8682 119.3532 64.5114 37.1577 177.3365 12 E 4.2996 7.7405 120.2845 59.8587 29.5565 179.0519 13 S 4.3014 8.0591 114.8606 61.6924 62.9790 176.6961 14 L 4.0700 8.7181 123.7098 57.9307 41.5246 179.0325 15 S 4.1247 8.8085 114.1752 61.3652 62.2078 175.9155 16 Q 4.1851 8.1890 120.2736 59.4202 28.3501 178.1621 17 M 4.5666 8.0932 120.0085 57.6976 31.8736 178.2623 18 L 4.1325 7.8685 120.1305 57.2458 42.1917 177.9866 19 S 4.7361 7.4532 112.1699 58.7264 63.3977 174.4218 20 M 4.1323 7.8150 120.8038 56.7252 33.2539 177.6024 21 G 3.8591 7.5432 107.2929 46.1891 0.0000 173.3208 22 F 5.1450 7.9861 118.4335 56.5381 41.5264 174.7606 23 S 5.0465 8.6802 117.3313 60.0152 64.5593 173.5968 24 D 3.3700 8.4044 115.2262 54.2430 41.8246 178.9986 25 E 3.7969 8.4523 116.2076 59.8297 30.1147 178.5899 26 G 3.9989 8.1422 108.6073 47.0366 0.0000 173.2522 27 G 3.9122 8.4262 105.2334 45.5479 0.0000 175.9077 28 W 4.4647 7.3899 116.3621 58.4648 28.6585 177.0542 29 L 3.9596 7.7583 120.5087 57.5424 40.9032 178.6653 30 T 4.2773 7.5321 113.4783 65.3748 69.7890 176.3192 31 R 4.1167 7.6578 118.9318 58.6572 29.9711 177.4990 32 L 4.1864 9.1879 121.8088 57.8056 41.3144 178.6953 33 L 3.7000 7.8361 117.7019 58.1918 41.3721 179.5499 34 Q 4.5033 7.5957 115.4509 59.3909 28.8254 179.0340 35 T 4.1262 8.6370 117.5422 66.0043 68.2867 176.6499 36 K 4.2438 9.7660 121.0329 58.8488 33.6775 175.9667 37 N 4.3583 9.2456 111.7156 55.7640 37.3802 172.6580 38 Y 3.5456 9.2176 111.1460 58.9825 36.7435 171.3589 39 D 4.7583 9.2881 117.9165 54.2059 42.0511 177.8561 40 I 3.6645 8.1255 114.6481 63.7103 36.9810 176.9752 41 G 3.7398 7.9447 106.2285 47.8420 0.0000 175.2129 42 A 4.0999 7.8076 123.1919 54.5739 17.8833 179.4436 43 A 3.7256 9.6204 119.2290 54.6592 17.9232 179.2637 44 L 3.9243 8.5569 120.4286 58.6761 41.7309 178.8823 45 D 4.2781 7.8435 117.3300 57.1066 40.8336 177.5732 46 T 3.5097 7.1824 111.4260 63.1779 67.8537 175.8699 47 I 3.4356 8.1545 120.6483 62.4993 37.2671 176.9590 48 Q 5.0983 8.8789 117.5316 54.9109 30.1288 175.7073 49 Y 3.4376 6.2570 110.6977 59.2791 35.0227 170.7409 50 S 4.7130 8.1939 115.4029 57.5668 63.1646 173.7947 51 K 4.5877 7.8266 117.2126 54.9268 33.8074 176.0118 52 H 4.5445 8.4189 119.0025 56.5838 30.1482 173.0335 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 G 8.35 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 2 S 7.83 4.47 0.00 3.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.42 0.00 2.26 2.18 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 4 P 0.00 4.61 0.00 2.19 2.19 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 5 E 7.61 4.64 0.00 2.02 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 2.27 2.23 0.00 6 A 8.07 4.45 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 7 D 8.08 4.47 0.00 3.01 2.83 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 8 P 0.00 4.49 0.00 2.24 2.32 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 9 R 7.83 4.49 0.00 1.96 2.18 0.00 3.20 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.92 0.00 10 L 8.22 4.13 0.00 1.75 2.11 0.82 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.87 3.66 1.92 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 0.98 0.94 0.00 0.00 12 E 7.74 4.30 0.00 2.36 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 2.35 2.41 0.00 13 S 8.06 4.30 0.00 3.96 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 14 L 8.72 4.07 0.00 1.94 1.72 0.91 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.81 4.12 0.00 4.04 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 16 Q 8.19 4.19 0.00 2.46 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.75 0.00 17 M 8.09 4.57 0.00 2.46 2.56 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.97 0.00 18 L 7.87 4.13 0.00 1.74 1.98 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.45 4.74 0.00 3.93 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 20 M 7.82 4.13 0.00 1.10 2.25 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.60 0.00 21 G 7.54 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 22 F 7.99 5.14 0.00 3.37 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.68 5.05 0.00 4.11 4.04 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 24 D 8.40 3.37 0.00 2.25 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 0.00 0.00 0.00 0.00 25 E 8.45 3.80 0.00 2.21 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 0.00 2.42 2.39 0.00 26 G 8.14 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 0.00 0.00 0.00 27 G 8.43 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.39 4.46 0.00 3.52 3.37 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 29 L 7.76 3.96 0.00 1.19 1.50 0.73 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.53 4.28 4.19 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 1.19 0.00 0.00 31 R 7.66 4.12 0.00 1.91 1.97 0.00 3.37 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 32 L 9.19 4.19 0.00 2.19 2.06 0.34 0.41 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 33 L 7.84 3.70 0.00 1.40 0.49 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.60 4.50 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.12 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 35 T 8.64 4.13 4.22 0.00 0.00 0.00 0.00 0.00 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 36 K 9.77 4.24 0.00 1.80 1.65 0.00 1.49 0.00 0.00 1.36 0.00 0.00 2.85 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 1.40 7.81 37 N 9.25 4.36 0.00 2.85 2.94 0.00 0.00 7.42 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 9.22 3.55 0.00 3.08 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 39 D 9.29 4.76 0.00 3.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 3.66 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.68 0.87 0.00 0.00 41 G 7.94 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 42 A 7.81 4.10 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 43 A 9.62 3.73 1.08 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 0.00 0.00 44 L 8.56 3.92 0.00 1.78 1.71 1.21 1.30 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 45 D 7.84 4.28 0.00 2.63 2.74 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 46 T 7.18 3.51 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 47 I 8.15 3.44 1.00 0.00 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.18 -1.39 0.00 0.00 48 Q 8.88 5.10 0.00 2.46 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.11 0.00 0.00 0.00 0.00 0.00 2.83 2.68 0.00 49 Y 6.26 3.44 0.00 2.94 3.06 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 50 S 8.19 4.71 0.00 3.82 3.80 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 51 K 7.83 4.59 0.00 1.78 1.73 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.46 7.81 52 H 8.42 4.54 0.00 3.05 3.08 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00