NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3638 8.3049 120.3700 56.3309 33.6053 174.0992 2 I 2.7467 7.2166 117.8148 60.3108 37.1952 169.6245 3 V 3.4896 8.6581 125.4120 62.1945 32.9447 173.6118 4 P 4.4405 0.0000 0.0000 62.2343 31.9659 176.2521 5 V 3.9246 8.2349 121.7106 62.9926 32.5017 173.2124 6 R 4.0046 8.4880 129.7258 54.5957 29.9765 175.3409 7 C 4.1872 8.3423 120.4031 58.8061 32.1976 173.7245 8 F 4.3618 8.9310 126.8331 61.3219 38.6105 177.1764 9 S 4.2476 8.2679 114.4977 61.3514 62.4357 175.1367 10 C 4.5245 8.0423 112.1022 57.3348 30.1353 175.4499 11 G 3.9201 8.6960 109.6931 45.5939 0.0000 173.8320 12 K 3.7903 7.6177 120.7465 57.0287 32.2686 175.8844 13 V 3.5302 7.9130 118.9255 61.6731 31.8499 176.8898 14 V 4.4194 8.2274 118.5277 63.5029 34.7661 175.7611 15 G 3.7446 8.1182 108.1919 48.9368 0.0000 175.1611 16 D 4.4973 7.8368 116.9517 56.4270 39.9288 178.8438 17 K 3.9561 8.2522 119.8169 57.6869 32.0925 178.2496 18 W 4.6679 8.3013 129.3950 60.8354 30.4781 177.5621 19 E 3.6778 8.3057 117.6067 59.5315 28.9753 178.9665 20 S 4.0594 8.1886 114.5358 62.0305 62.6802 175.7677 21 Y 4.0753 7.9273 120.8875 61.1783 38.9091 178.5090 22 L 3.6456 7.5912 118.9833 57.1032 41.5068 178.9599 23 N 4.4047 7.5250 116.1867 55.2348 38.7358 177.1428 24 L 4.0906 7.8031 116.5258 55.8060 41.4747 177.3101 25 L 4.3459 8.0175 117.7404 56.4552 44.1514 178.8132 26 Q 3.8364 7.9298 118.3623 59.1001 29.7546 176.7717 27 E 3.8589 7.9835 117.6030 57.4966 28.8134 177.7699 28 D 4.2142 8.9331 127.2456 56.0721 42.6849 176.7040 29 E 4.1771 8.1026 118.2218 56.3349 27.4095 173.4793 30 L 4.6102 7.2699 117.4301 53.0844 44.8023 176.8044 31 D 4.7966 8.0202 119.0606 52.2910 42.2631 176.9918 32 E 4.0629 8.9965 121.1434 60.5857 29.4339 180.7415 33 G 4.0396 7.2308 104.0609 46.9969 0.0000 174.8097 34 T 4.5001 8.2330 111.8333 61.6972 70.2612 175.9229 35 A 3.6923 8.1737 123.1307 55.2932 18.4928 179.5330 36 L 4.2088 8.1306 117.0976 58.3351 41.5663 179.4835 37 S 4.1705 8.2133 114.5560 61.9511 62.4590 176.8896 38 R 3.9747 8.6698 121.0782 59.3399 29.6692 177.9837 39 L 4.4047 7.8926 116.2245 54.7901 41.2006 178.6373 40 G 3.9781 7.8276 106.5487 45.7635 0.0000 175.7968 41 L 4.3343 7.1029 120.2484 53.4471 39.8788 177.0658 42 K 3.9394 8.1938 123.5768 58.1885 32.1295 177.9229 43 R 4.3546 8.5022 112.2791 55.6592 31.3111 177.8366 44 Y 4.2684 9.3524 118.4829 60.5214 37.2534 178.5289 45 C 3.9653 7.5748 115.1802 61.6810 29.6957 175.2983 46 C 4.2305 7.8127 119.2277 62.2986 27.7617 175.7453 47 R 3.9743 7.9857 119.6179 58.9562 29.5058 178.7292 48 R 3.8790 8.5242 117.2026 60.1232 29.3485 177.8742 49 M 3.8553 7.5871 118.9930 58.5583 32.2368 178.2636 50 I 3.5866 7.3511 118.9469 64.3258 37.3909 178.0542 51 L 4.0234 7.6847 119.7159 57.9514 41.7760 178.1877 52 T 4.3919 7.2018 112.1801 63.3830 70.3581 174.4325 53 H 3.9126 7.1557 119.1391 56.6957 30.1325 174.8561 54 V 4.2554 8.0725 125.0302 60.5429 32.0957 175.4937 55 D 4.7951 8.1481 132.9379 53.3402 40.1511 177.4586 56 L 4.0332 8.1190 122.1227 58.1593 42.0469 178.9978 57 I 4.1058 8.3492 118.0372 64.5742 37.8423 176.9499 58 E 4.0319 8.2001 118.8142 59.7816 29.1957 179.5117 59 K 3.8825 7.9072 116.9470 59.5792 32.0896 179.2009 60 F 4.5792 8.0242 116.8436 60.5527 39.2501 176.8002 61 L 4.2785 8.8330 118.8631 58.1188 41.2972 181.0001 62 R 4.1766 7.7142 114.8644 57.1451 30.0914 176.2772 63 Y 4.2782 8.6679 114.4631 56.8238 41.1912 176.9473 64 N 4.3979 8.3853 128.3358 53.5697 45.4131 172.6986 65 P 4.4593 0.0000 0.0000 62.9626 31.4166 176.4308 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 8.30 4.36 0.00 1.95 2.22 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 2 I 7.22 2.75 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.15 0.85 0.00 0.00 3 V 8.66 3.49 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 0.73 0.00 0.00 0.30 0.00 0.00 4 P 0.00 4.44 0.00 1.95 2.10 0.00 3.55 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.99 0.00 5 V 8.23 3.92 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 0.82 0.00 0.00 0.94 0.00 0.00 6 R 8.49 4.00 0.00 2.03 2.08 0.00 3.32 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 7 C 8.34 4.19 0.00 2.89 2.78 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 8 F 8.93 4.36 0.00 2.97 3.03 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 0.00 0.00 0.00 9 S 8.27 4.25 0.00 3.82 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.04 4.52 0.00 3.05 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 11 G 8.70 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 0.00 0.00 0.00 12 K 7.62 3.79 0.00 1.81 1.73 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 13 V 7.91 3.53 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 0.73 0.00 0.00 0.94 0.00 0.00 14 V 8.23 4.42 2.05 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 0.89 0.00 0.00 1.03 0.00 0.00 15 G 8.12 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 16 D 7.84 4.50 0.00 2.94 2.97 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 17 K 8.25 3.96 0.00 1.93 2.02 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.65 7.81 18 W 8.30 4.67 0.00 3.31 3.13 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 0.00 0.00 0.00 19 E 8.31 3.68 0.00 2.10 1.96 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 2.39 2.50 0.00 20 S 8.19 4.06 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 21 Y 7.93 4.08 0.00 2.94 3.19 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 0.00 22 L 7.59 3.65 0.00 1.38 1.34 -0.14 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.52 4.40 0.00 2.79 2.89 0.00 0.00 6.85 7.47 0.00 0.00 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 7.80 4.09 0.00 1.62 1.59 0.96 0.59 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 8.02 4.35 0.00 1.47 1.38 0.28 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.93 3.84 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.05 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 27 E 7.98 3.86 0.00 2.16 1.69 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 0.00 2.35 2.26 0.00 28 D 8.93 4.21 0.00 2.57 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 29 E 8.10 4.18 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.62 0.00 30 L 7.27 4.61 0.00 1.83 1.54 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.02 4.80 0.00 2.85 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 9.00 4.06 0.00 2.17 2.27 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 2.52 2.45 0.00 33 G 7.23 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 0.00 0.00 0.00 34 T 8.23 4.50 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 8.17 3.69 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 36 L 8.13 4.21 0.00 1.81 1.78 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.21 4.17 0.00 4.01 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 38 R 8.67 3.97 0.00 1.77 2.16 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 39 L 7.89 4.40 0.00 1.91 1.71 1.18 1.02 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 40 G 7.83 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.10 4.33 0.00 1.58 1.66 0.90 0.82 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 42 K 8.19 3.94 0.00 1.73 1.62 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 43 R 8.50 4.35 0.00 1.97 2.06 0.00 3.14 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.39 0.00 44 Y 9.35 4.27 0.00 3.24 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 3.97 0.00 3.02 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 46 C 7.81 4.23 0.00 2.92 2.97 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 47 R 7.99 3.97 0.00 2.00 1.97 0.00 3.27 0.00 0.00 3.45 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.94 0.00 48 R 8.52 3.88 0.00 1.90 2.20 0.00 3.00 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 49 M 7.59 3.86 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 50 I 7.35 3.59 1.65 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 1.44 1.17 0.23 0.00 0.00 51 L 7.68 4.02 0.00 1.63 1.85 1.01 0.88 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 52 T 7.20 4.39 4.27 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 1.22 0.00 0.00 53 H 7.16 3.91 0.00 2.86 2.96 0.00 5.71 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 8.07 4.26 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 0.92 0.00 0.00 1.00 0.00 0.00 55 D 8.15 4.80 0.00 2.69 2.75 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 56 L 8.12 4.03 0.00 2.14 1.82 1.08 0.71 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 57 I 8.35 4.11 2.01 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 1.76 1.43 1.11 0.00 0.00 58 E 8.20 4.03 0.00 2.07 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 0.00 2.62 2.64 0.00 59 K 7.91 3.88 0.00 1.48 1.76 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.56 7.81 60 F 8.02 4.58 0.00 3.35 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 4.28 0.00 1.90 1.84 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.71 4.18 0.00 1.89 1.86 0.00 3.16 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 63 Y 8.67 4.28 0.00 3.12 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 64 N 8.39 4.40 0.00 2.70 2.23 0.00 0.00 6.95 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 4.46 0.00 2.24 2.04 0.00 3.91 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 2.01 1.98 0.00