NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4120 8.1627 120.3521 56.3911 34.4260 175.8008 2 D 4.0582 8.1884 123.7312 55.5905 41.5075 174.8987 3 F 4.9380 8.9214 112.1602 57.3204 38.9174 174.6445 4 N 4.8964 7.8683 118.0530 53.6377 40.5727 173.4487 5 P 4.6834 0.0000 0.0000 63.7021 31.3729 178.0242 6 S 4.4358 7.8432 115.8900 61.6890 62.2538 176.2285 7 E 3.8863 8.1409 121.2034 59.2712 29.3241 179.1976 8 V 3.7924 7.4191 118.5930 65.7073 31.3584 178.1151 9 A 4.0655 7.7470 120.0849 55.2353 18.1304 179.7023 10 S 4.1679 8.5814 114.0894 61.7913 62.8401 176.8528 11 Q 4.0091 8.9885 119.8246 59.0796 28.8444 179.0185 12 V 3.7171 7.4487 117.6051 66.2058 31.5526 177.9093 13 T 3.8595 7.4748 114.0900 67.1005 68.1298 176.1646 14 N 4.4625 7.7784 117.6481 56.4262 38.2219 176.8049 15 Y 4.0518 8.3518 118.0357 61.4661 38.2388 178.6974 16 I 3.9803 7.6779 118.7992 63.8802 36.3505 178.2738 17 Q 3.9934 7.8559 118.9980 59.2510 28.2483 179.0958 18 A 4.2942 7.9426 120.6785 54.8352 18.3140 179.5903 19 I 3.7803 7.5705 117.3904 64.1902 37.5050 178.0587 20 A 4.1091 8.8632 122.0959 55.2068 18.2765 179.4611 21 A 4.0267 7.5114 119.4287 55.3613 18.0826 179.6574 22 A 4.1130 7.5780 117.4031 54.7145 18.6629 179.9593 23 G 3.6346 8.5654 104.9648 48.0884 0.0000 176.2699 24 V 3.7290 7.8917 120.9891 65.4786 29.8953 177.8938 25 G 3.7831 7.9248 105.6028 47.8181 0.0000 175.7290 26 V 3.9270 8.0859 120.7628 65.8004 31.4733 178.1000 27 L 4.0608 7.9794 118.2070 57.1298 41.5541 178.9598 28 A 3.9692 8.0610 120.6655 55.4640 18.1380 179.5121 29 L 4.1098 7.5118 115.6898 57.4924 41.4910 179.4298 30 A 4.0212 7.7857 120.2452 54.7647 18.4892 179.4322 31 I 3.9353 8.6324 119.8408 64.3719 37.0974 178.7976 32 G 3.4987 7.7296 105.3047 47.3288 0.0000 175.6896 33 L 4.1829 7.5638 121.4015 58.1159 41.6655 180.0029 34 S 3.7981 7.9493 114.0109 61.2657 62.7739 176.2384 35 A 3.6797 7.6386 123.5017 54.7487 17.9996 179.6703 36 A 3.9152 8.7495 120.5852 55.3931 18.5068 179.9686 37 W 4.3320 8.0358 117.0208 59.4909 29.0903 178.8675 38 K 4.0236 8.4080 118.9899 59.9031 31.2126 178.8109 39 Y 4.7094 7.7767 115.6228 60.9433 38.1929 177.7674 40 A 4.1906 8.0835 121.4392 55.3409 18.4887 180.0009 41 K 4.1892 8.5434 117.0742 59.4488 31.8331 179.8397 42 R 3.9370 8.1255 118.0380 59.2357 29.9923 178.6885 43 F 3.8872 8.0010 115.3285 59.7272 38.9431 177.1201 44 L 4.1710 7.4914 118.0966 57.8791 41.7483 178.4970 45 K 4.0025 8.3328 116.3194 59.4534 32.1475 177.0857 46 G 3.7168 7.9024 110.0544 45.7544 0.0000 173.1534 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 8.16 4.41 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 2 D 8.19 4.06 0.00 2.73 1.84 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 3 F 8.92 4.94 0.00 2.97 2.89 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 0.00 0.00 0.00 4 N 7.87 4.90 0.00 2.98 2.77 0.00 0.00 7.06 7.60 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 5 P 0.00 4.68 0.00 2.40 2.28 0.00 3.55 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 6 S 7.84 4.44 0.00 3.95 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 7 E 8.14 3.89 0.00 2.03 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 2.43 2.39 0.00 8 V 7.42 3.79 2.22 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 1.08 0.00 0.00 0.93 0.00 0.00 9 A 7.75 4.07 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 10 S 8.58 4.17 0.00 3.86 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 0.00 11 Q 8.99 4.01 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.07 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 12 V 7.45 3.72 2.30 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 0.71 0.00 0.00 0.75 0.00 0.00 13 T 7.47 3.86 4.30 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 1.23 0.00 0.00 14 N 7.78 4.46 0.00 2.87 2.90 0.00 0.00 7.10 7.37 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 15 Y 8.35 4.05 0.00 3.11 3.05 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 0.00 0.00 0.00 0.00 16 I 7.68 3.98 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.17 0.96 0.00 0.00 17 Q 7.86 3.99 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 18 A 7.94 4.29 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 19 I 7.57 3.78 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.90 0.94 0.00 0.00 20 A 8.86 4.11 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 21 A 7.51 4.03 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 22 A 7.58 4.11 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.73 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 1.13 0.00 0.00 0.93 0.00 0.00 25 G 7.92 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 0.00 0.00 0.00 26 V 8.09 3.93 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.98 0.00 0.00 27 L 7.98 4.06 0.00 1.73 1.69 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.06 3.97 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 29 L 7.51 4.11 0.00 1.86 1.72 1.02 0.84 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 30 A 7.79 4.02 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 31 I 8.63 3.94 1.85 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 1.56 0.93 0.89 0.00 0.00 32 G 7.73 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 4.18 0.00 1.66 1.69 0.94 0.87 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 34 S 7.95 3.80 0.00 3.78 3.83 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 35 A 7.64 3.68 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.75 3.92 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 8.04 4.33 0.00 3.18 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 4.02 0.00 1.96 2.02 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.68 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.68 7.81 39 Y 7.78 4.71 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.19 1.26 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 41 K 8.54 4.19 0.00 2.12 1.97 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.58 7.81 42 R 8.13 3.94 0.00 1.97 1.64 0.00 3.33 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.94 0.00 43 F 8.00 3.89 0.00 3.33 3.23 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 44 L 7.49 4.17 0.00 1.76 1.75 0.94 1.45 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 45 K 8.33 4.00 0.00 1.69 1.87 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.52 7.81 46 G 7.90 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 0.00 0.00 0.00