NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3937 8.3044 120.3481 55.1725 32.9786 174.5807 2 V 3.4433 8.7344 126.8739 64.5143 31.5261 174.4216 3 I 4.2644 7.8629 123.1655 58.9893 40.3733 173.9592 4 A 4.5219 8.1836 130.8642 51.0152 20.5517 177.7959 5 T 3.8547 8.5439 115.7754 67.3172 68.1494 176.6773 6 D 4.7215 8.0701 118.5981 57.3620 40.8895 178.0200 7 D 4.5154 7.8954 118.0685 55.9448 41.1065 177.7438 8 L 4.3931 7.6344 118.8387 54.9610 42.8742 175.8272 9 E 5.0707 8.0729 116.3686 54.3931 33.1763 175.6698 10 V 4.3609 8.9628 123.6532 60.9020 33.7663 174.9074 11 A 4.3523 8.5450 129.6961 51.8955 19.1932 176.6124 12 C 4.2122 8.9722 124.3018 58.9802 31.9218 173.0535 13 P 4.3444 0.0000 0.0000 65.1632 31.3794 177.4330 14 K 4.1451 8.0514 119.5436 57.9140 32.4773 176.6316 15 C 4.5793 7.9068 111.1765 56.7580 31.5283 172.8444 16 E 3.6636 8.6273 119.0054 57.8028 26.3799 175.4131 17 R 4.0880 8.0783 113.3651 56.6578 28.5226 177.9899 18 A 4.0043 7.7116 122.1325 53.0752 18.8911 180.0730 19 G 4.0618 8.5026 102.9044 45.7268 0.0000 172.9176 20 E 5.0293 7.7090 117.6216 54.5347 33.5290 174.8512 21 I 4.1965 8.4005 123.7937 60.4905 39.0933 175.5087 22 E 3.6978 9.9222 127.6028 56.9848 27.6133 173.3952 23 G 4.2678 8.1317 109.2500 45.3559 0.0000 172.5176 24 T 4.3675 7.5473 110.1158 58.9948 70.0774 172.2154 25 P 4.4164 0.0000 0.0000 62.7335 31.8768 175.4503 26 C 4.0969 8.6105 123.5421 59.0778 31.7960 172.8054 27 P 4.4290 0.0000 0.0000 65.4795 31.3650 177.8950 28 A 4.1131 8.1214 120.5578 54.9351 18.4573 177.9505 29 C 4.4124 7.9738 107.1352 57.4277 31.3655 173.5458 30 S 4.4524 8.1671 114.1505 57.6855 61.1176 170.1165 31 G 3.9116 8.1770 115.4376 46.7658 0.0000 174.9204 32 K 3.6738 8.0766 121.8903 57.3543 32.3001 178.0133 33 G 4.0157 8.8749 106.1238 44.9515 0.0000 172.5590 34 V 4.9290 7.1506 117.3790 61.2816 35.1746 173.9354 35 I 4.5955 8.8202 126.3848 59.2686 40.0006 175.1824 36 L 4.5411 8.4618 127.1131 54.8343 42.5078 177.0762 37 T 4.3730 8.5866 113.3517 60.7529 70.8141 175.6934 38 A 4.1070 8.7306 122.6793 55.3274 18.4348 179.3048 39 Q 4.0214 8.2292 117.7186 59.4052 29.1244 178.7605 40 G 3.5814 8.1064 106.4715 48.1528 0.0000 175.1606 41 Y 4.2266 8.0989 119.4734 60.9601 37.8427 178.9783 42 T 3.9446 8.2293 116.6246 66.7539 68.5533 176.7125 43 L 4.0997 7.8281 120.4340 57.6584 41.6139 179.4278 44 L 3.9746 8.0815 120.2493 58.1961 42.0188 178.4347 45 D 4.4463 8.5632 119.3295 57.5407 40.9800 178.6875 46 F 4.2643 8.3334 120.6675 61.4893 39.4466 177.0946 47 I 3.5294 8.1213 119.3712 64.6078 36.7499 178.3255 48 Q 4.0474 8.2286 117.6746 59.1860 28.6226 179.1471 49 K 4.0967 8.1800 118.4057 58.6782 32.1511 177.5964 50 H 4.5701 7.5430 113.8013 55.6657 30.8346 174.5273 51 L 3.6345 8.4383 122.1432 57.4837 42.5321 178.1169 52 N 3.9593 8.2416 125.2037 54.6026 35.4423 174.3252 53 K 4.1384 7.5942 124.8465 56.7590 32.2165 177.7762 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 4.39 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 V 8.73 3.44 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 0.78 0.00 0.00 0.92 0.00 0.00 3 I 7.86 4.26 1.86 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 1.34 1.06 0.90 0.00 0.00 4 A 8.18 4.52 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 5 T 8.54 3.85 4.23 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 1.20 0.00 0.00 6 D 8.07 4.72 0.00 2.64 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 7 D 7.90 4.52 0.00 2.86 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 8 L 7.63 4.39 0.00 1.77 1.65 0.91 0.89 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 9 E 8.07 5.07 0.00 1.72 1.76 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 2.16 2.17 0.00 10 V 8.96 4.36 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 0.80 0.00 0.00 0.93 0.00 0.00 11 A 8.55 4.35 1.23 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 0.00 0.00 12 C 8.97 4.21 0.00 3.02 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 13 P 0.00 4.34 0.00 2.22 2.17 0.00 3.81 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 1.99 1.95 0.00 14 K 8.05 4.15 0.00 1.74 1.87 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.42 7.81 15 C 7.91 4.58 0.00 3.11 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 16 E 8.63 3.66 0.00 2.16 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 2.24 2.40 0.00 17 R 8.08 4.09 0.00 1.97 2.07 0.00 3.20 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 18 A 7.71 4.00 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 19 G 8.50 4.06 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 0.00 0.00 0.00 20 E 7.71 5.03 0.00 1.91 1.80 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 2.23 2.25 0.00 21 I 8.40 4.20 1.87 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 1.18 1.33 0.91 0.00 0.00 22 E 9.92 3.70 0.00 1.98 1.89 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 2.21 2.34 0.00 23 G 8.13 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 0.00 0.00 0.00 0.00 24 T 7.55 4.37 4.24 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 1.24 0.00 0.00 25 P 0.00 4.42 0.00 2.06 2.10 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 26 C 8.61 4.10 0.00 2.99 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 27 P 0.00 4.43 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 28 A 8.12 4.11 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.97 4.41 0.00 3.08 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 30 S 8.17 4.45 0.00 4.07 4.01 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 0.00 0.00 0.00 31 G 8.18 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 0.00 0.00 0.00 32 K 8.08 3.67 0.00 1.70 1.96 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.58 7.81 33 G 8.87 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.15 4.93 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 0.84 0.00 0.00 0.96 0.00 0.00 35 I 8.82 4.60 1.88 0.00 0.00 0.87 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 0.89 0.95 0.00 0.00 36 L 8.46 4.54 0.00 0.66 1.06 0.19 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.59 4.37 4.26 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 1.21 0.00 0.00 38 A 8.73 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.23 4.02 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 40 G 8.11 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 41 Y 8.10 4.23 0.00 3.19 2.99 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 0.00 0.00 0.00 42 T 8.23 3.94 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 1.21 0.00 0.00 43 L 7.83 4.10 0.00 1.81 1.78 0.91 0.30 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 44 L 8.08 3.97 0.00 2.01 1.74 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.56 4.45 0.00 3.21 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 46 F 8.33 4.26 0.00 3.22 3.34 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 47 I 8.12 3.53 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.69 0.90 0.00 0.00 48 Q 8.23 4.05 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 49 K 8.18 4.10 0.00 1.88 1.74 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.63 7.81 50 H 7.54 4.57 0.00 2.73 3.00 0.00 5.67 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 51 L 8.44 3.63 0.00 1.67 1.55 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.24 3.96 0.00 2.80 3.18 0.00 0.00 7.18 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 53 K 7.59 4.14 0.00 1.70 1.68 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.51 7.81