NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.3543 8.3027 116.7535 55.9071 32.5750 177.3897 11 L 3.9255 8.0100 120.8076 57.9198 42.0751 176.3707 12 E 4.0060 8.3085 118.0908 61.0627 30.0678 180.1225 13 E 4.1636 7.9831 119.7481 59.3932 29.7325 178.5665 14 M 4.0641 8.6305 119.1701 58.5354 31.9296 178.5682 15 Q 4.0177 8.2896 122.0638 59.5217 29.1540 179.0908 16 R 3.9350 7.7961 121.6545 61.2975 29.4067 182.2684 17 R 4.2315 8.3000 119.3094 59.0361 30.0456 178.7235 18 A 3.9964 8.1826 120.7116 55.7164 18.4817 179.5930 19 D 4.3158 8.3652 117.0136 57.0881 40.6830 178.9761 20 Q 3.8970 8.0905 120.4689 59.1705 29.1262 178.0715 21 L 3.9393 8.5839 120.0636 57.7593 41.7199 179.2947 22 A 3.9911 8.2834 121.0435 55.3906 18.3019 179.2542 23 D 4.2920 8.0692 116.2187 57.4506 41.2141 178.2914 24 E 3.9965 8.3945 119.4004 59.3700 29.3306 179.4942 25 S 4.0952 8.4670 115.6964 61.5008 62.8826 176.4527 26 L 3.9351 7.7335 122.5070 58.3279 41.8313 178.9491 27 E 3.9801 8.2070 118.5189 59.1864 29.2912 179.2690 28 S 4.0819 8.3774 113.6147 61.6984 62.4990 176.2977 29 T 3.8768 8.1409 118.6388 66.8597 68.2885 176.8914 30 R 4.0164 8.1723 119.9151 59.0276 29.9473 179.3849 31 R 4.0666 8.0803 118.2341 59.3455 30.0381 178.7704 32 M 4.0374 8.4145 118.9401 58.4730 31.8245 178.6694 33 L 3.9560 7.9748 119.0499 57.8045 41.7383 179.5792 34 Q 3.9182 7.6366 118.0027 59.2717 29.0647 178.0790 35 L 4.0055 8.0998 120.1915 57.8241 41.5830 179.7946 36 V 3.5878 8.0696 118.4693 65.8026 31.5138 177.7868 37 E 3.9453 8.0288 119.2161 59.2171 29.4875 178.6762 38 E 3.9772 8.3389 118.7161 59.4533 29.5171 179.4471 39 S 4.1186 8.2702 115.3454 61.3704 62.8069 176.6190 40 K 3.8914 8.1639 122.2319 59.6968 31.9163 178.4633 41 D 4.3300 8.0352 118.6982 57.3656 40.6859 178.7092 42 A 4.0772 8.1403 121.3321 55.1992 18.3480 179.9590 43 G 3.5505 8.5041 104.6348 47.8654 0.0000 176.1203 44 I 3.7479 8.0200 122.3904 64.2659 37.1553 178.5968 45 R 3.9171 8.1633 119.0380 59.6222 29.8291 179.2543 46 T 3.8725 8.1150 115.5060 66.5803 68.4698 176.6502 47 L 3.9706 8.0233 120.9762 57.7017 41.5996 179.6174 48 V 3.5807 8.0274 118.3438 66.4224 31.4531 177.9103 49 M 4.0543 8.1241 118.2015 58.5595 31.8530 178.8425 50 L 4.0017 8.3295 119.3904 57.6186 41.1715 179.1961 51 D 4.2908 8.2003 118.1853 57.2722 41.2157 177.9249 52 E 3.9614 7.9902 119.4832 59.4375 29.6887 178.7442 53 Q 4.2721 8.3614 118.3315 58.9315 28.7593 178.9710 54 G 3.7465 8.2121 106.7563 47.9171 0.0000 175.6237 55 E 4.0424 7.9301 119.7536 59.1724 29.4540 179.3089 56 Q 4.0074 8.1140 118.1670 59.0684 28.7291 178.9620 57 L 4.0042 8.5362 120.2065 57.6282 41.5038 179.4969 58 E 3.9599 7.9505 118.3570 59.4231 29.4232 179.5690 59 R 3.9122 7.9496 117.9878 59.1325 30.0974 178.9696 60 I 3.6491 7.9117 119.7883 64.5641 37.1927 178.0108 61 E 3.9157 8.3567 120.0406 59.3185 29.4947 178.4738 62 E 4.0537 8.4490 119.6635 59.1212 29.5943 179.0767 63 G 3.6036 8.6213 106.2637 48.0886 0.0000 175.7060 64 M 4.0857 8.2798 121.1835 57.9770 31.8692 178.6544 65 D 4.3442 8.0675 119.1885 57.4783 41.0467 178.7298 66 Q 3.9854 7.8883 117.9568 58.9796 28.6530 178.8702 67 I 3.6700 7.9506 120.9173 64.7626 37.1136 178.3380 68 N 4.3805 8.2434 116.7039 55.5540 38.2692 177.5891 69 K 3.9561 7.9102 121.6030 59.6917 32.4493 178.6176 70 D 4.3954 8.6788 119.4272 57.6129 40.6294 178.8019 71 M 4.0705 8.2796 119.4010 58.2365 31.9030 178.7324 72 K 3.9229 7.8557 119.9538 59.2772 32.3320 178.5567 73 E 3.8658 8.2652 119.4068 59.1506 29.5747 178.4173 74 A 3.9594 8.4914 121.0910 55.4031 18.2551 179.0935 75 E 3.8788 8.1532 116.3707 59.2522 29.6664 178.7761 76 K 4.0598 7.9153 118.7162 59.6954 32.4504 178.0144 77 N 4.4339 8.5131 115.6272 56.4205 38.5930 175.5886 78 L 4.2896 8.1248 123.7633 55.0814 41.8633 176.8733 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 10 E 8.30 4.35 0.00 1.91 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 0.00 2.21 1.88 0.00 11 L 8.01 3.93 0.00 1.78 1.70 0.92 0.68 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 12 E 8.31 4.01 0.00 2.01 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 2.31 1.94 0.00 13 E 7.98 4.16 0.00 2.02 2.13 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 2.37 2.40 0.00 14 M 8.63 4.06 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.55 0.00 15 Q 8.29 4.02 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 16 R 7.80 3.94 0.00 1.90 1.92 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 17 R 8.30 4.23 0.00 2.00 2.01 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 18 A 8.18 4.00 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 19 D 8.37 4.32 0.00 2.81 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 20 Q 8.09 3.90 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 21 L 8.58 3.94 0.00 1.68 1.70 0.92 1.25 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 22 A 8.28 3.99 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 23 D 8.07 4.29 0.00 2.92 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 24 E 8.39 4.00 0.00 2.20 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 2.33 2.62 0.00 25 S 8.47 4.10 0.00 4.01 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 26 L 7.73 3.94 0.00 1.75 1.83 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.21 3.98 0.00 2.20 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 2.33 2.40 0.00 28 S 8.38 4.08 0.00 3.93 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 29 T 8.14 3.88 4.44 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 1.21 0.00 0.00 30 R 8.17 4.02 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 31 R 8.08 4.07 0.00 2.03 1.97 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 32 M 8.41 4.04 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 33 L 7.97 3.96 0.00 1.88 1.73 0.92 0.66 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 34 Q 7.64 3.92 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 35 L 8.10 4.01 0.00 1.72 1.70 0.92 0.92 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 36 V 8.07 3.59 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.95 0.00 0.00 37 E 8.03 3.95 0.00 2.17 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 2.30 2.35 0.00 38 E 8.34 3.98 0.00 2.23 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 2.33 2.35 0.00 39 S 8.27 4.12 0.00 4.01 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 40 K 8.16 3.89 0.00 1.93 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 41 D 8.04 4.33 0.00 2.91 2.70 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 42 A 8.14 4.08 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 43 G 8.50 3.55 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 0.00 0.00 0.00 44 I 8.02 3.75 2.02 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 1.52 0.84 0.91 0.00 0.00 45 R 8.16 3.92 0.00 2.01 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 46 T 8.12 3.87 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 1.21 0.00 0.00 47 L 8.02 3.97 0.00 1.87 1.72 0.92 0.71 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 48 V 8.03 3.58 2.26 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 1.03 0.00 0.00 0.96 0.00 0.00 49 M 8.12 4.05 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 50 L 8.33 4.00 0.00 1.82 1.72 0.92 0.81 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 51 D 8.20 4.29 0.00 2.87 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.99 3.96 0.00 2.06 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 2.30 2.35 0.00 53 Q 8.36 4.27 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 54 G 8.21 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.93 4.04 0.00 2.22 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 2.33 2.50 0.00 56 Q 8.11 4.01 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 57 L 8.54 4.00 0.00 1.79 1.72 0.92 0.91 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 58 E 7.95 3.96 0.00 2.18 1.99 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 2.57 2.49 0.00 59 R 7.95 3.91 0.00 2.02 1.97 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 60 I 7.91 3.65 2.04 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 1.41 0.78 0.91 0.00 0.00 61 E 8.36 3.92 0.00 2.10 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 0.00 2.31 2.32 0.00 62 E 8.45 4.05 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 2.30 2.32 0.00 63 G 8.62 3.60 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 0.00 0.00 0.00 64 M 8.28 4.09 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.91 0.00 65 D 8.07 4.34 0.00 2.90 2.71 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 66 Q 7.89 3.99 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 67 I 7.95 3.67 2.02 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 1.52 0.80 0.91 0.00 0.00 68 N 8.24 4.38 0.00 2.75 2.86 0.00 0.00 6.74 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.91 3.96 0.00 1.98 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 70 D 8.68 4.40 0.00 2.67 2.70 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 71 M 8.28 4.07 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.55 0.00 72 K 7.86 3.92 0.00 1.89 1.95 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 73 E 8.27 3.87 0.00 2.18 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 2.30 2.32 0.00 74 A 8.49 3.96 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 75 E 8.15 3.88 0.00 2.00 2.23 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 2.33 2.33 0.00 76 K 7.92 4.06 0.00 1.88 2.05 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 77 N 8.51 4.43 0.00 2.84 2.88 0.00 0.00 7.17 8.30 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 78 L 8.12 4.29 0.00 1.75 1.59 0.92 0.71 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