NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5209 0.0000 0.0000 62.9215 33.2914 174.7203 3 M 5.2440 8.7153 121.1326 53.4439 34.6041 173.8284 4 I 4.9636 8.9752 123.4701 59.5609 42.0073 174.2559 5 S 5.2532 8.8425 119.2525 56.7623 66.3077 173.0983 6 C 4.7575 8.9186 122.0416 57.8908 34.1495 172.1485 7 D 5.4044 8.8286 127.1237 53.7323 41.4713 175.9760 8 M 4.4597 9.5775 120.1557 53.5456 35.0842 174.4570 9 R 4.2871 7.2995 118.5214 56.5154 30.7982 176.2382 10 Y 4.0703 8.6552 123.8486 58.3995 39.1007 174.8587 11 G 4.0326 8.1204 112.6092 46.0184 0.0000 175.1539 12 R 4.1682 7.5564 119.3187 56.2011 30.7012 177.1841 13 T 4.1937 9.5205 113.6343 61.1989 71.0590 175.5404 14 D 4.3048 8.5802 121.6273 57.6582 40.7487 178.8264 15 E 3.9125 8.1078 119.0341 59.3790 29.7197 178.7269 16 Q 3.9605 7.9635 117.8171 58.9483 28.7325 178.8333 17 K 3.9578 8.2052 119.8641 59.5608 32.2988 179.3805 18 R 4.1353 8.5093 116.5391 57.6759 29.4760 178.6887 19 A 3.9692 7.6878 122.1038 54.8784 18.6432 179.1522 20 L 3.8393 8.3640 119.5063 58.3725 41.6789 179.4497 21 S 3.6405 8.4890 114.3333 61.0954 63.1054 176.0378 22 A 4.0387 7.8854 124.2400 55.0044 18.3803 179.8391 23 G 3.6194 8.2231 103.1418 46.6177 0.0000 175.3078 24 L 4.0149 7.3498 122.3431 57.6350 42.3092 178.5003 25 L 3.9089 8.0450 119.2980 57.4737 41.3908 179.4449 26 R 3.8178 7.7782 118.4683 59.6941 30.1013 179.0437 27 V 3.5962 7.3022 111.1406 64.4779 31.4797 178.7220 28 I 3.8035 7.6632 119.3973 64.1191 36.9690 178.3245 29 S 4.4163 8.3173 115.9325 60.5273 61.9896 175.8000 30 E 3.9314 8.7530 121.6699 58.6573 29.3967 178.2739 31 A 4.2406 7.6986 119.9116 55.2360 19.4369 179.5399 32 T 3.9957 8.2536 114.5733 64.5820 68.2360 176.7008 33 G 3.8386 7.9517 107.3682 45.3928 0.0000 173.0686 34 E 4.2415 7.4942 120.9965 54.4606 30.6177 174.4664 35 P 4.4218 0.0000 0.0000 62.1340 32.2164 177.1125 36 R 3.8325 8.7607 121.9022 60.2618 30.0102 178.9995 37 E 4.1499 8.3386 114.3293 58.3539 29.8649 179.8211 38 N 5.1249 8.0404 113.8098 52.5954 38.4237 179.7558 39 I 4.9261 7.5284 119.6614 60.4932 40.0765 174.8928 40 F 5.0104 9.3555 130.1632 56.6651 41.6412 174.2338 41 F 5.4008 7.2271 125.8739 56.4659 42.7004 173.8779 42 V 3.9722 7.8658 123.7754 59.8849 34.9671 173.7585 43 I 4.7081 7.8853 123.9643 59.5906 39.2156 174.9523 44 R 4.7417 8.8345 125.8976 54.4250 32.6654 174.9589 45 E 5.9104 8.3774 121.8428 54.1829 33.2757 174.9854 46 G 4.4231 8.5503 107.8276 45.2289 0.0000 172.2063 47 S 4.8381 8.8109 115.5032 57.7287 63.8752 175.9178 48 G 3.8805 9.2326 111.6995 48.2256 0.0000 175.7840 49 I 3.9357 7.7975 118.1512 63.0722 38.1152 175.9892 50 N 4.5748 8.4030 116.2722 54.2494 38.9631 174.6805 51 F 4.4010 8.3878 118.8527 55.4149 40.3799 174.7379 52 V 4.6345 8.3270 125.5328 61.0822 32.8826 174.2077 53 E 4.4386 8.8558 127.8086 55.8652 30.9677 176.3271 54 H 4.1857 9.8780 119.3274 56.6627 26.2578 175.8898 55 G 3.9498 8.6955 111.2358 45.6291 0.0000 174.3480 56 E 4.5454 8.0216 116.7944 54.4640 30.9748 180.5698 57 H 4.8892 8.8110 121.7874 54.3438 29.2717 175.4649 58 L 4.4115 8.6964 125.8188 54.2106 42.4501 175.3550 59 P 4.7393 0.0000 0.0000 61.8285 33.4986 174.9174 60 D 4.7054 8.6201 119.9648 54.6894 41.4361 176.1547 61 Y 4.0934 8.6573 123.0655 57.3885 39.4754 175.2076 62 V 3.9036 7.1654 126.5954 59.9330 32.4208 173.4608 63 P 4.1900 0.0000 0.0000 62.9165 31.1353 176.2838 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 2 P 0.00 4.52 0.00 2.16 2.27 0.00 3.92 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 3 M 8.72 5.24 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.81 0.00 4 I 8.98 4.96 2.03 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.10 0.95 0.00 0.00 5 S 8.84 5.25 0.00 3.84 3.85 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 6 C 8.92 4.76 0.00 3.26 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 7 D 8.83 5.40 0.00 2.72 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 8 M 9.58 4.46 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 9 R 7.30 4.29 0.00 1.42 1.85 0.00 3.30 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.00 10 Y 8.66 4.07 0.00 3.02 2.89 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 0.00 0.00 0.00 11 G 8.12 4.03 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 0.00 0.00 0.00 12 R 7.56 4.17 0.00 1.55 1.73 0.00 2.44 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.62 0.00 13 T 9.52 4.19 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 1.22 0.00 0.00 14 D 8.58 4.30 0.00 2.72 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 15 E 8.11 3.91 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 16 Q 7.96 3.96 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 17 K 8.21 3.96 0.00 1.93 1.87 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.48 7.81 18 R 8.51 4.14 0.00 2.04 2.19 0.00 3.15 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.50 0.00 19 A 7.69 3.97 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 20 L 8.36 3.84 0.00 1.77 1.95 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.49 3.64 0.00 4.15 4.42 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 4.04 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 23 G 8.22 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 4.01 0.00 1.73 1.12 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.05 3.91 0.00 1.73 1.65 0.74 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.78 3.82 0.00 1.87 1.86 0.00 3.07 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 27 V 7.30 3.60 2.04 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 0.73 0.00 0.00 0.93 0.00 0.00 28 I 7.66 3.80 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.74 0.90 0.00 0.00 29 S 8.32 4.42 0.00 3.91 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 30 E 8.75 3.93 0.00 1.99 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 2.31 2.31 0.00 31 A 7.70 4.24 1.32 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 0.00 0.00 32 T 8.25 4.00 4.32 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 1.27 0.00 0.00 33 G 7.95 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 0.00 0.00 0.00 34 E 7.49 4.24 0.00 2.20 1.82 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 2.31 2.30 0.00 35 P 0.00 4.42 0.00 2.26 2.16 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 36 R 8.76 3.83 0.00 1.86 1.98 0.00 3.17 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 37 E 8.34 4.15 0.00 2.03 1.85 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 2.23 1.87 0.00 38 N 8.04 5.12 0.00 2.71 2.67 0.00 0.00 6.76 7.29 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 39 I 7.53 4.93 1.89 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 1.13 1.23 0.92 0.00 0.00 40 F 9.36 5.01 0.00 3.17 2.98 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 41 F 7.23 5.40 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.97 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 0.74 0.00 0.00 0.89 0.00 0.00 43 I 7.89 4.71 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.19 0.89 0.00 0.00 44 R 8.83 4.74 0.00 1.93 1.84 0.00 3.42 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 45 E 8.38 5.91 0.00 2.05 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 2.18 2.14 0.00 46 G 8.55 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.81 4.84 0.00 3.98 3.85 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 48 G 9.23 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 0.00 0.00 0.00 49 I 7.80 3.94 1.93 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 1.50 0.89 0.96 0.00 0.00 50 N 8.40 4.57 0.00 3.01 2.71 0.00 0.00 6.85 8.27 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 51 F 8.39 4.40 0.00 3.28 3.01 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 52 V 8.33 4.63 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 0.77 0.00 0.00 0.63 0.00 0.00 53 E 8.86 4.44 0.00 1.85 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 54 H 9.88 4.19 0.00 3.32 3.39 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.70 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 0.00 0.00 0.00 56 E 8.02 4.55 0.00 1.91 1.84 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 2.18 2.13 0.00 57 H 8.81 4.89 0.00 3.16 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.70 4.41 0.00 1.79 1.66 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.74 0.00 2.13 2.20 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 60 D 8.62 4.71 0.00 2.61 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.66 4.09 0.00 2.84 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 62 V 7.17 3.90 1.84 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 0.76 0.00 0.00 0.82 0.00 0.00 63 P 0.00 4.19 0.00 2.22 2.32 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00