NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4320 8.1633 120.3488 55.1626 34.2957 177.0636 2 K 4.7919 8.0094 119.3199 57.7754 31.7750 176.4789 3 L 3.9722 8.4977 122.9782 57.9581 42.1650 178.3068 4 S 4.1060 8.1082 114.4000 62.5623 62.8678 175.9797 5 E 3.9946 8.2762 120.6700 59.3360 29.2529 179.0867 6 V 4.4387 8.4455 119.6563 65.9719 31.7435 177.9070 7 R 3.8274 8.3189 118.4032 59.7908 29.8158 178.2240 8 K 3.7765 7.9399 117.5626 59.9256 32.2283 179.2999 9 Q 4.7612 7.8863 118.6798 57.8455 28.2666 178.4907 10 L 4.1693 8.1915 119.7191 57.2137 42.3057 178.6836 11 E 4.0938 8.0778 116.5446 58.9620 29.7024 178.4167 12 E 4.1542 8.3296 119.5272 58.5678 29.6401 177.9109 13 A 4.1607 7.7108 119.1251 52.9309 18.0553 177.6223 14 R 4.6207 7.5358 116.6430 57.3468 30.5125 178.4115 15 K 4.2050 8.0916 118.7927 58.6095 33.0019 178.4004 16 L 4.5707 7.6655 114.8920 54.0142 43.3637 181.4834 17 S 3.9503 8.3330 110.8416 58.1157 64.5058 171.6685 18 P 4.7833 0.0000 0.0000 65.5604 31.8647 178.8293 19 V 3.7097 8.3852 118.6850 65.9613 31.4266 177.6656 20 E 3.9269 8.1448 117.8651 60.3251 29.2802 178.2251 21 L 3.6456 9.3349 117.4994 59.4714 42.0054 178.6287 22 E 3.8737 8.7351 117.6256 59.7507 29.8449 179.2671 23 K 3.8871 8.3133 118.4945 59.5748 32.0480 178.8136 24 L 3.9469 8.9824 120.8566 58.5890 42.1010 179.0683 25 V 3.5507 8.6158 118.5067 65.8490 31.3733 177.7986 26 R 3.8795 8.5286 117.7628 59.6677 30.0502 178.4403 27 E 3.9096 8.1607 117.7081 59.8096 29.4903 179.7554 28 K 3.9149 8.3257 118.1488 59.3723 31.9782 179.6834 29 K 3.9454 8.5651 119.2059 59.2835 31.8978 179.1993 30 R 3.8108 8.3420 119.3257 59.6666 30.0644 178.2066 31 E 3.6983 8.3688 118.4924 59.3562 29.4692 179.2873 32 L 3.9107 8.0377 120.2744 58.3246 42.2247 178.4265 33 M 4.0135 8.2455 118.3556 58.9814 32.0319 177.5878 34 E 3.9406 8.8936 120.2350 60.0952 29.5905 177.5664 35 L 4.2151 8.1945 121.3781 56.9913 41.9277 178.5122 36 R 4.1925 8.4312 116.8238 59.2733 28.8236 178.7395 37 F 3.8388 8.7599 121.9087 61.4120 39.5554 176.8128 38 Q 4.3154 8.0676 116.2740 57.6771 28.5981 177.9772 39 A 4.1530 8.3175 121.9529 54.6209 18.4011 179.3320 40 S 4.2614 8.1685 113.1263 61.2209 63.4914 176.3731 41 I 3.8359 7.0456 115.7309 62.5803 37.0199 176.4123 42 G 4.3091 7.9631 117.3102 45.9395 0.0000 174.9723 43 Q 4.2546 7.3796 119.7434 54.2729 28.3706 176.7425 44 L 4.4239 7.1963 110.6782 54.7582 44.4926 174.7858 45 S 4.5872 8.0129 113.3937 56.5189 64.1023 173.4632 46 Q 4.4279 7.9846 124.4768 54.6231 29.6732 175.9758 47 N 3.5104 7.7713 117.6974 54.6743 40.7600 175.9811 48 H 4.0406 8.7380 113.5373 59.1813 29.0576 177.3131 49 K 3.8909 7.1474 120.4623 59.9577 31.8742 177.9283 50 I 3.5765 7.7883 118.7160 65.2627 36.8603 178.0027 51 R 4.1606 7.9462 117.5898 59.1402 29.2613 178.4517 52 D 4.4120 7.6407 119.4229 56.7970 41.1740 178.3364 53 L 3.9355 8.4322 121.1317 58.5246 42.1191 178.3661 54 K 3.8214 8.5590 118.3615 60.2236 31.7565 179.1421 55 R 3.9807 8.1684 118.4883 59.0792 30.2384 179.1789 56 Q 3.9899 8.2570 120.0004 59.2001 29.1349 177.8775 57 I 3.6672 8.1053 120.9946 65.1990 37.0421 177.2982 58 A 3.7313 8.3507 118.0211 55.6387 17.9088 179.3590 59 R 3.8901 7.4969 111.2328 59.3411 29.9086 178.4935 60 L 3.8148 7.7803 118.7730 57.9190 41.6078 179.0574 61 L 3.8930 8.9034 119.5713 59.5925 41.7349 179.0764 62 T 3.6384 9.5981 113.1100 67.3003 68.3826 175.9319 63 V 3.6223 8.7163 119.7688 66.6545 31.8081 178.7602 64 L 4.2351 8.0864 117.3574 56.5857 41.1530 178.0079 65 N 4.8330 8.2837 115.5050 53.1761 39.1714 175.3858 66 E 4.5459 7.5990 121.0116 57.4349 31.5234 178.2958 67 K 3.9226 8.6600 118.7406 59.3942 32.3316 179.0198 68 R 3.9006 7.5364 118.3260 59.9917 29.7561 178.8507 69 R 4.0063 7.8569 115.6095 59.0530 30.1797 178.5794 70 Q 4.1641 7.7146 117.1631 58.8694 28.9894 177.8990 71 N 4.5126 8.9715 116.5207 54.7420 38.6517 175.0866 72 A 4.3307 7.6926 127.5612 52.1008 19.3172 175.8557 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 4.43 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 2 K 8.01 4.79 0.00 1.96 1.86 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.72 7.81 3 L 8.50 3.97 0.00 1.70 1.61 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.11 4.11 0.00 3.90 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 5 E 8.28 3.99 0.00 2.20 1.91 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 2.40 2.58 0.00 6 V 8.45 4.44 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 1.17 0.00 0.00 0.97 0.00 0.00 7 R 8.32 3.83 0.00 2.04 1.87 0.00 3.22 0.00 0.00 3.17 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 8 K 7.94 3.78 0.00 1.90 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.63 7.81 9 Q 7.89 4.76 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 10 L 8.19 4.17 0.00 1.62 1.71 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.08 4.09 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 2.31 2.42 0.00 12 E 8.33 4.15 0.00 2.15 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 2.30 2.32 0.00 13 A 7.71 4.16 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 14 R 7.54 4.62 0.00 1.98 1.95 0.00 3.31 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 15 K 8.09 4.20 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.57 1.40 7.81 16 L 7.67 4.57 0.00 1.68 1.60 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.33 3.95 0.00 3.93 3.84 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 18 P 0.00 4.78 0.00 2.30 2.29 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 19 V 8.39 3.71 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 1.09 0.00 0.00 0.93 0.00 0.00 20 E 8.14 3.93 0.00 2.29 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 2.42 2.48 0.00 21 L 9.33 3.65 0.00 1.92 1.80 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.74 3.87 0.00 2.06 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 2.33 2.36 0.00 23 K 8.31 3.89 0.00 1.99 1.81 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 24 L 8.98 3.95 0.00 1.81 1.67 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.62 3.55 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 0.97 0.00 0.00 0.95 0.00 0.00 26 R 8.53 3.88 0.00 2.03 1.99 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 27 E 8.16 3.91 0.00 2.20 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 2.32 2.61 0.00 28 K 8.33 3.91 0.00 1.88 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.63 1.63 7.81 29 K 8.57 3.95 0.00 1.82 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.59 7.81 30 R 8.34 3.81 0.00 1.79 2.09 0.00 3.07 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 31 E 8.37 3.70 0.00 2.19 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 2.32 2.55 0.00 32 L 8.04 3.91 0.00 1.91 1.83 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.25 4.01 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 34 E 8.89 3.94 0.00 2.03 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 2.29 2.38 0.00 35 L 8.19 4.22 0.00 2.08 1.69 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.43 4.19 0.00 2.13 2.23 0.00 2.88 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.75 0.00 37 F 8.76 3.84 0.00 3.30 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 38 Q 8.07 4.32 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 39 A 8.32 4.15 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 40 S 8.17 4.26 0.00 3.94 3.96 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 41 I 7.05 3.84 1.86 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 1.69 0.60 0.94 0.00 0.00 42 G 7.96 4.31 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 0.00 43 Q 7.38 4.25 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.43 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 44 L 7.20 4.42 0.00 1.74 1.61 0.95 0.90 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 45 S 8.01 4.59 0.00 3.97 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 46 Q 7.98 4.43 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 47 N 7.77 3.51 0.00 2.75 2.61 0.00 0.00 6.84 7.89 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 48 H 8.74 4.04 0.00 3.39 3.58 0.00 5.55 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.15 3.89 0.00 1.90 1.84 0.00 1.16 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.45 7.81 50 I 7.79 3.58 1.87 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 1.58 0.41 0.91 0.00 0.00 51 R 7.95 4.16 0.00 2.04 2.21 0.00 2.97 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 52 D 7.64 4.41 0.00 2.92 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 53 L 8.43 3.94 0.00 1.81 1.66 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.56 3.82 0.00 1.79 1.79 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 55 R 8.17 3.98 0.00 1.92 2.00 0.00 3.34 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 56 Q 8.26 3.99 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 57 I 8.11 3.67 2.06 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 1.62 0.76 0.91 0.00 0.00 58 A 8.35 3.73 1.27 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 59 R 7.50 3.89 0.00 2.09 2.24 0.00 2.82 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 1.92 1.78 0.00 60 L 7.78 3.81 0.00 2.01 1.74 0.94 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.90 3.89 0.00 1.82 1.81 0.92 0.86 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 62 T 9.60 3.64 4.31 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 1.24 0.00 0.00 63 V 8.72 3.62 2.17 0.00 0.00 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 64 L 8.09 4.24 0.00 1.98 1.70 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.28 4.83 0.00 2.84 2.83 0.00 0.00 6.77 7.61 0.00 0.00 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 E 7.60 4.55 0.00 2.11 1.93 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 2.21 2.55 0.00 67 K 8.66 3.92 0.00 1.72 1.85 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.63 1.59 7.81 68 R 7.54 3.90 0.00 1.98 2.02 0.00 3.09 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 1.63 1.69 0.00 69 R 7.86 4.01 0.00 1.82 1.97 0.00 3.36 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 70 Q 7.71 4.16 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 71 N 8.97 4.51 0.00 2.63 2.88 0.00 0.00 6.84 7.23 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 72 A 7.69 4.33 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