NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1676 8.1627 120.3275 61.0747 33.2885 180.7298 2 D 3.4939 6.8906 114.6686 53.7160 45.4782 173.7664 3 P 4.3021 0.0000 0.0000 65.8712 32.7750 177.8796 4 N 4.4642 8.7681 115.4063 56.2865 38.3528 177.5674 5 T 3.9111 7.9157 117.6961 66.3998 68.3858 176.8539 6 V 3.6645 7.7124 119.6865 66.1609 31.7612 178.0424 7 S 4.4059 7.8343 115.7293 61.1772 62.5955 176.9383 8 S 4.1615 8.4675 118.0750 61.5438 62.5366 176.4196 9 F 4.2447 8.3163 123.2308 61.5256 39.1821 177.0506 10 Q 3.9364 8.4668 117.8498 58.9653 28.5412 179.1872 11 V 3.7626 7.8925 119.0058 66.2474 31.5656 177.6890 12 D 4.4750 8.3950 118.9389 57.6364 40.6403 178.7241 13 C 3.9996 8.1467 117.4751 62.7299 28.0306 175.9857 14 F 4.3119 8.2816 122.2154 61.3622 39.0277 177.2233 15 L 3.8041 8.5584 119.1091 57.3073 41.2693 179.2519 16 W 3.9346 8.4642 128.6938 60.6039 30.5238 177.4792 17 H 4.1422 8.3756 118.1910 59.1714 29.3490 177.1808 18 V 3.2626 7.3937 120.0663 66.1980 31.1862 178.2526 19 R 4.0225 7.6883 117.5258 59.0198 29.7851 178.9872 20 K 3.4674 7.5791 119.7949 59.3597 31.8418 179.0677 21 R 3.8756 7.9443 118.6625 58.9621 29.8982 178.8658 22 L 3.8356 7.7263 119.8346 57.9161 42.1350 178.5604 23 A 3.9419 8.1900 121.0609 55.6782 18.0937 179.0885 24 D 4.4621 8.1333 115.9531 57.6169 40.9709 178.5257 25 Q 4.2864 7.4011 115.0776 54.9994 29.0145 175.4679 26 E 3.7481 8.3529 118.7973 57.8199 27.2146 174.9288 27 L 4.4440 7.8657 116.3049 54.2911 42.3775 176.6786 28 G 3.6777 7.5607 108.2339 43.6075 0.0000 174.2947 29 D 4.6652 8.1373 123.0203 51.8462 42.2698 177.2563 30 A 4.0089 8.4399 120.1858 55.2077 18.1964 177.9620 31 P 4.1976 0.0000 0.0000 65.5296 31.3968 178.5444 32 F 4.0178 8.6056 119.6146 61.3845 39.2872 177.2515 33 L 4.0392 8.2457 118.5431 57.7471 41.3949 179.1222 34 D 4.3734 8.3955 119.1354 57.5381 40.7988 179.1058 35 R 3.8847 8.1485 118.6414 59.0558 30.0243 178.7361 36 L 3.8581 7.6379 120.0962 58.1207 41.4738 179.0610 37 R 3.9643 8.0282 118.3804 59.6739 30.2582 178.5983 38 R 3.9856 8.1092 117.8034 59.5684 30.0004 178.9071 39 D 4.4399 8.7573 118.9919 57.1832 40.7879 178.5497 40 Q 3.2822 8.2865 120.3185 58.8959 28.9932 178.5484 41 K 3.9402 7.6994 118.4842 59.5515 32.0527 179.5314 42 S 4.1155 7.9315 114.9755 61.6529 62.7522 176.7942 43 L 4.1578 8.1784 121.9769 57.7691 41.2128 179.8244 44 R 4.0163 8.1130 118.2560 59.0781 29.9822 179.2803 45 G 3.5711 8.0068 105.4651 47.9416 0.0000 175.9357 46 R 3.9072 8.2134 121.1508 58.6789 30.0303 179.3695 47 G 3.2744 8.3934 105.8629 47.6841 0.0000 175.3597 48 N 4.2629 7.9713 117.9718 56.3847 38.6724 177.1513 49 T 3.9361 7.6049 115.5838 66.7067 68.6672 176.1937 50 L 4.1504 7.6612 118.6511 54.7314 41.7898 177.5620 51 G 3.8301 7.8536 106.4472 46.2778 0.0000 173.1124 52 L 4.7266 7.6510 119.2208 52.0139 44.0557 176.9577 53 D 4.6254 8.5493 124.0732 53.1944 41.5698 177.4046 54 I 3.7123 8.3529 122.7388 64.5176 37.0550 178.5852 55 E 3.9596 8.1178 118.9047 59.8273 29.4093 179.4292 56 T 3.8698 8.5906 115.7522 66.6195 68.4662 176.6744 57 A 4.0510 8.1242 122.6879 55.3119 18.3410 179.7838 58 T 3.8774 8.3118 114.6919 66.9581 68.4133 176.8981 59 R 3.8869 7.7948 119.4972 59.3317 30.1629 179.0481 60 A 4.2262 8.0966 120.6300 55.0233 18.2594 179.8509 61 G 3.5777 8.3743 104.7516 47.7066 0.0000 175.7381 62 K 2.4800 7.6323 121.8302 58.7785 32.0725 178.8057 63 Q 4.0144 7.4551 118.1140 59.0098 28.5369 179.0017 64 I 3.6292 7.5049 120.5063 64.4071 37.1008 178.6857 65 V 3.5861 7.8774 119.2244 65.9911 31.1559 177.7375 66 E 3.9126 8.3636 118.7433 59.5239 29.0883 179.4488 67 R 3.8827 7.7225 117.3976 59.3568 30.4690 178.0593 68 I 3.8506 8.0109 119.9736 64.6847 36.7244 178.3823 69 L 4.1494 8.2428 119.2625 57.2728 41.2206 179.1147 70 E 4.1270 7.7475 117.6906 58.5505 29.3475 177.3505 71 E 4.3732 7.7227 117.1860 56.4822 29.6472 176.4692 72 E 4.1863 7.7212 124.2768 56.6468 29.5523 176.3631 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 4.17 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 2 D 6.89 3.49 0.00 2.90 2.77 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 3 P 0.00 4.30 0.00 2.20 2.10 0.00 3.81 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 2.12 2.19 0.00 4 N 8.77 4.46 0.00 2.86 2.89 0.00 0.00 7.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.92 3.91 4.40 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 1.20 0.00 0.00 6 V 7.71 3.66 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 1.23 0.00 0.00 0.94 0.00 0.00 7 S 7.83 4.41 0.00 3.96 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 8 S 8.47 4.16 0.00 4.08 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 9 F 8.32 4.24 0.00 3.17 3.25 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 10 Q 8.47 3.94 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 11 V 7.89 3.76 2.19 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 1.06 0.00 0.00 0.99 0.00 0.00 12 D 8.40 4.47 0.00 2.89 2.72 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 13 C 8.15 4.00 0.00 2.87 2.82 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 14 F 8.28 4.31 0.00 3.28 3.24 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 0.00 15 L 8.56 3.80 0.00 1.71 1.69 0.97 0.91 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 16 W 8.46 3.93 0.00 3.42 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 17 H 8.38 4.14 0.00 3.44 3.39 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.39 3.26 1.95 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 0.86 0.00 0.00 0.26 0.00 0.00 19 R 7.69 4.02 0.00 1.59 1.53 0.00 3.06 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 20 K 7.58 3.47 0.00 0.79 1.50 0.00 1.32 0.00 0.00 1.26 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.37 7.81 21 R 7.94 3.88 0.00 1.86 1.85 0.00 3.33 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 22 L 7.73 3.84 0.00 1.70 1.77 0.78 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.19 3.94 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 24 D 8.13 4.46 0.00 2.77 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 25 Q 7.40 4.29 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 26 E 8.35 3.75 0.00 2.02 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 2.21 2.29 0.00 27 L 7.87 4.44 0.00 1.47 1.50 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.56 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.14 4.67 0.00 2.96 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 30 A 8.44 4.01 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 31 P 0.00 4.20 0.00 2.22 2.14 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 32 F 8.61 4.02 0.00 3.17 3.26 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 33 L 8.25 4.04 0.00 1.94 1.73 0.95 0.93 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 34 D 8.40 4.37 0.00 2.88 2.72 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 35 R 8.15 3.88 0.00 1.77 1.85 0.00 3.09 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 36 L 7.64 3.86 0.00 1.55 1.75 -0.30 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.03 3.96 0.00 1.99 2.09 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 38 R 8.11 3.99 0.00 1.92 1.98 0.00 3.19 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 1.66 1.69 0.00 39 D 8.76 4.44 0.00 2.98 2.91 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 Q 8.29 3.28 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.09 1.62 0.00 41 K 7.70 3.94 0.00 2.05 1.83 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 42 S 7.93 4.12 0.00 4.04 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 43 L 8.18 4.16 0.00 1.61 1.62 0.59 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.11 4.02 0.00 1.96 1.93 0.00 3.05 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 45 G 8.01 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.21 3.91 0.00 2.11 1.82 0.00 3.20 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 47 G 8.39 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 7.97 4.26 0.00 2.88 2.85 0.00 0.00 7.10 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.60 3.94 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 1.14 0.00 0.00 50 L 7.66 4.15 0.00 1.20 1.51 0.41 0.62 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 51 G 7.85 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 52 L 7.65 4.73 0.00 1.65 1.75 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.55 4.63 0.00 2.89 2.82 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 54 I 8.35 3.71 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.66 0.76 0.00 0.00 55 E 8.12 3.96 0.00 2.23 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 2.42 2.49 0.00 56 T 8.59 3.87 4.35 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 1.23 0.00 0.00 57 A 8.12 4.05 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 58 T 8.31 3.88 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 59 R 7.79 3.89 0.00 1.97 1.96 0.00 3.12 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 1.83 0.00 60 A 8.10 4.23 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 61 G 8.37 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 0.00 0.00 0.00 62 K 7.63 2.48 0.00 0.90 1.61 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 0.85 7.81 63 Q 7.46 4.01 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 64 I 7.50 3.63 1.97 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 1.39 0.83 0.91 0.00 0.00 65 V 7.88 3.59 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 1.25 0.00 0.00 1.14 0.00 0.00 66 E 8.36 3.91 0.00 2.11 1.95 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 2.29 2.39 0.00 67 R 7.72 3.88 0.00 1.90 2.08 0.00 3.27 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 I 8.01 3.85 2.07 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 1.53 0.78 0.93 0.00 0.00 69 L 8.24 4.15 0.00 1.82 1.73 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.75 4.13 0.00 2.10 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 2.34 2.57 0.00 71 E 7.72 4.37 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 2.50 2.42 0.00 72 E 7.72 4.19 0.00 1.98 1.86 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 2.43 2.43 0.00