NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4580 8.1627 120.6154 54.7565 34.4347 175.7263 2 I 4.4573 8.5451 112.1069 57.3959 41.5757 168.7554 3 V 3.1014 7.6249 125.3948 62.9642 31.2238 173.3089 4 P 4.6129 0.0000 0.0000 61.8467 33.4755 175.0580 5 V 4.0366 8.1026 120.1577 62.9770 32.8812 173.3477 6 R 4.3314 9.0384 128.4319 54.7685 28.2984 176.1199 7 C 3.7995 8.1959 118.0176 57.9148 30.1238 174.6197 8 F 4.2956 8.1738 123.0447 60.8874 38.7971 177.0328 9 S 4.2924 8.2387 113.5510 61.3042 63.0874 175.8217 10 C 4.3335 7.7870 117.2795 58.6192 40.5478 174.5180 11 G 3.7663 7.9524 105.7247 45.0956 0.0000 173.9716 12 K 3.8724 8.0606 122.4419 56.0084 32.5568 175.7148 13 V 3.7932 8.3200 119.1196 62.3727 31.7528 175.9893 14 V 4.2142 8.2915 117.4497 62.0086 33.7699 177.8653 15 G 3.8168 7.0730 107.1152 48.9397 0.0000 174.8789 16 D 4.5142 8.0266 120.9192 54.5379 39.7400 177.8007 17 K 4.4867 8.3487 119.4337 56.3418 32.4707 177.7118 18 W 4.4344 8.1855 130.4872 60.4605 30.6705 177.4890 19 E 3.8774 8.3969 118.0941 59.8336 28.8120 179.4139 20 S 4.2111 8.0584 113.7997 61.5963 63.1447 175.7200 21 Y 4.3273 7.7360 122.3671 60.6377 38.5316 177.8118 22 L 3.4242 7.3971 119.2490 57.7404 41.6645 179.2402 23 N 4.2405 8.0259 116.7385 56.3552 39.1563 176.3095 24 L 4.2843 7.7273 119.2980 56.2888 41.8979 178.2705 25 L 4.1038 7.3276 119.3233 57.1744 41.7697 178.5032 26 Q 3.8587 8.0910 119.9484 58.5928 29.2328 176.6899 27 E 4.3505 7.6193 117.5258 56.6183 30.7005 175.9657 28 D 4.6044 7.9323 116.0977 53.3384 42.4515 175.1319 29 E 3.6816 8.0967 119.0436 56.6379 26.2626 172.4849 30 L 4.8534 7.6854 118.7174 52.3092 46.1197 176.1435 31 D 4.9558 7.7852 118.8676 51.9431 42.4847 177.2909 32 E 4.0879 8.5814 121.9585 60.5121 29.5293 179.4090 33 G 3.7953 8.5457 103.9946 48.9464 0.0000 174.8079 34 T 3.9149 8.2030 110.9417 64.0977 68.8391 176.4942 35 A 3.9994 8.0491 123.2604 55.1917 18.5064 179.5255 36 L 4.0063 8.2379 117.5652 58.0378 41.7161 180.1230 37 S 4.1233 7.9265 115.1633 61.6433 62.6230 176.6255 38 R 4.0688 7.6572 119.1182 58.4442 29.8960 177.3725 39 L 4.4762 7.6943 116.7846 54.0780 41.9090 176.5858 40 G 3.8260 7.7973 106.4942 46.8140 0.0000 175.0107 41 L 4.5230 7.5909 121.8294 52.6899 40.6398 176.4541 42 K 4.1769 8.1795 122.0858 58.6579 33.8208 179.3131 43 R 4.1807 7.6791 116.8927 55.5584 31.7463 176.6502 44 Y 4.4271 7.7937 119.9622 58.8366 38.3518 176.6564 45 C 4.3094 7.4631 115.9313 58.8794 40.2236 175.3309 46 C 4.1662 7.9402 118.6883 62.5197 27.9545 175.8587 47 R 4.0196 7.8404 120.1082 59.3583 29.5380 178.6623 48 R 4.2504 7.7604 111.2298 57.8588 29.2870 177.2093 49 M 4.1834 9.0360 119.8563 57.0348 32.7714 177.1680 50 I 4.1750 7.5399 119.5795 63.0192 37.9103 177.3452 51 L 3.9649 7.8062 119.7151 58.6141 41.8806 177.8711 52 T 4.3203 7.8070 104.5894 62.1132 69.0356 173.6949 53 H 4.4586 8.0552 123.1684 55.9253 30.4351 174.3741 54 V 4.2183 8.0960 125.8179 61.0492 33.2794 174.8840 55 D 4.5776 8.4466 127.1564 53.2902 40.0589 175.8766 56 L 4.4957 8.0736 125.6694 55.6086 42.1894 178.1839 57 I 3.6844 7.9534 119.5135 64.4121 37.6785 177.4773 58 E 3.9991 7.8520 117.5103 59.6900 29.4913 179.6440 59 K 4.2043 8.2495 117.7266 59.2924 31.8493 179.0133 60 F 4.1297 8.4259 118.2590 60.9527 38.6837 177.7921 61 L 4.1464 8.1823 117.1160 58.0264 41.5779 178.5700 62 R 3.9283 7.6915 117.5620 59.5109 30.0495 176.1786 63 Y 4.1908 7.5378 113.0775 57.9771 37.8223 174.2907 64 N 4.5875 8.1263 118.9281 54.7871 40.0231 173.0658 65 P 4.4701 0.0000 0.0000 62.9812 31.6632 176.1764 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 4.46 0.00 2.08 1.80 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 2 I 8.55 4.46 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.79 0.80 0.00 0.00 3 V 7.62 3.10 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 0.55 0.00 0.00 0.16 0.00 0.00 4 P 0.00 4.61 0.00 1.90 2.04 0.00 3.43 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 5 V 8.10 4.04 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 0.79 0.00 0.00 0.88 0.00 0.00 6 R 9.04 4.33 0.00 1.92 1.89 0.00 3.29 0.00 0.00 3.91 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.51 0.00 7 C 8.20 3.80 0.00 2.97 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.17 4.30 0.00 3.04 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 9 S 8.24 4.29 0.00 3.99 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 10 C 7.79 4.33 0.00 2.93 3.10 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 0.00 0.00 0.00 11 G 7.95 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 3.87 0.00 1.76 1.66 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.43 7.81 13 V 8.32 3.79 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 0.74 0.00 0.00 0.91 0.00 0.00 14 V 8.29 4.21 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 0.84 0.00 0.00 15 G 7.07 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 16 D 8.03 4.51 0.00 2.79 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 17 K 8.35 4.49 0.00 2.01 1.88 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.44 7.81 18 W 8.19 4.43 0.00 3.35 3.10 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 0.00 0.00 0.00 19 E 8.40 3.88 0.00 2.06 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 2.53 2.42 0.00 20 S 8.06 4.21 0.00 3.87 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 21 Y 7.74 4.33 0.00 3.05 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 22 L 7.40 3.42 0.00 1.59 1.46 -0.19 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.03 4.24 0.00 3.00 2.76 0.00 0.00 7.25 6.48 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 24 L 7.73 4.28 0.00 1.84 1.66 0.94 0.60 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 25 L 7.33 4.10 0.00 1.53 1.45 0.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.09 3.86 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 27 E 7.62 4.35 0.00 1.95 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 0.00 2.21 2.22 0.00 28 D 7.93 4.60 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.68 0.00 2.10 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 2.21 2.23 0.00 30 L 7.69 4.85 0.00 1.72 1.54 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.79 4.96 0.00 2.82 2.76 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 32 E 8.58 4.09 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 33 G 8.55 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 0.00 0.00 0.00 34 T 8.20 3.91 4.25 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 1.22 0.00 0.00 35 A 8.05 4.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.01 0.00 1.90 1.76 0.94 0.62 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 37 S 7.93 4.12 0.00 4.07 3.92 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 38 R 7.66 4.07 0.00 1.83 1.98 0.00 3.26 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 39 L 7.69 4.48 0.00 1.70 1.69 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.80 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 0.00 0.00 0.00 41 L 7.59 4.52 0.00 1.83 1.61 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.18 4.18 0.00 1.87 1.93 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.40 7.81 43 R 7.68 4.18 0.00 1.80 1.93 0.00 2.88 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 44 Y 7.79 4.43 0.00 3.24 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.46 4.31 0.00 3.09 3.08 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 46 C 7.94 4.17 0.00 3.09 2.95 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 47 R 7.84 4.02 0.00 2.04 2.06 0.00 3.25 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 48 R 7.76 4.25 0.00 2.03 2.13 0.00 3.17 0.00 0.00 3.24 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 0.00 49 M 9.04 4.18 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 50 I 7.54 4.17 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.17 0.00 0.00 51 L 7.81 3.96 0.00 1.60 1.74 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.81 4.32 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 1.26 0.00 0.00 53 H 8.06 4.46 0.00 3.29 3.40 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.10 4.22 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 0.89 0.00 0.00 0.98 0.00 0.00 55 D 8.45 4.58 0.00 2.60 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.50 0.00 1.97 2.10 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.95 3.68 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.98 0.00 0.00 58 E 7.85 4.00 0.00 2.25 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 2.77 2.70 0.00 59 K 8.25 4.20 0.00 1.85 1.87 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.59 7.81 60 F 8.43 4.13 0.00 3.31 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.18 4.15 0.00 1.91 1.82 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.69 3.93 0.00 1.74 1.84 0.00 3.24 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 63 Y 7.54 4.19 0.00 3.05 2.93 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 64 N 8.13 4.59 0.00 2.71 2.77 0.00 0.00 7.03 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.47 0.00 2.24 2.04 0.00 3.92 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00