NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3453 8.4449 121.7370 56.1114 30.9047 174.6069 4 I 4.3452 8.4106 127.8163 59.8418 38.3645 173.8294 5 K 4.5020 9.7804 127.6113 54.9862 35.7192 174.7534 6 H 4.7668 8.4529 121.9429 54.9306 31.7520 172.3448 7 Y 5.3282 8.4951 124.4263 56.4868 40.8508 174.8742 8 Q 4.8973 8.6646 122.9464 54.4110 32.7376 173.7572 9 F 5.2821 9.4589 124.7363 55.6756 43.0313 173.6247 10 N 5.2027 9.2450 122.2752 52.4080 40.1654 173.7347 11 V 4.7560 8.4406 126.5858 60.8011 34.1846 175.5121 12 V 3.9795 8.7563 128.2843 63.5349 30.9557 174.3955 13 M 4.7217 8.4409 126.4673 53.7332 34.2801 175.9157 14 T 4.3795 8.6264 120.1842 64.3289 70.6652 174.1737 15 C 4.9147 7.4855 115.0005 55.6069 34.2821 174.5724 16 S 4.6711 8.0482 115.7426 60.3410 62.4942 176.4635 17 G 3.6194 8.0747 109.6279 48.0339 0.0000 175.1199 18 C 4.1043 8.0508 119.4013 62.5549 28.3533 176.3866 19 S 4.2540 8.0780 115.6067 61.2414 62.5371 176.5489 20 G 3.6335 8.4960 109.5486 47.5344 0.0000 175.3546 21 A 3.9705 8.3843 123.7665 54.9041 18.1818 179.9031 22 V 3.4627 7.6658 116.4862 66.1440 31.6322 177.6536 23 N 4.2841 8.5848 117.2417 56.5431 38.8519 176.7650 24 K 3.9455 8.2274 121.0655 59.7009 32.1485 179.3755 25 V 3.6860 7.3508 111.3078 64.1163 31.3372 178.2046 26 L 4.2112 7.7212 119.0168 57.4645 41.4207 179.3553 27 T 3.9708 8.0879 110.0789 64.4876 68.5902 176.7173 28 K 3.9673 7.8511 120.0111 58.3006 32.2550 177.4287 29 L 4.6888 7.3287 117.9515 54.2674 41.9369 176.1106 30 E 4.5985 8.1808 119.5026 56.1191 29.7365 175.1298 31 P 4.8427 0.0000 0.0000 62.8813 32.1498 176.4350 32 D 4.3957 7.9556 120.8251 57.1141 41.0755 176.2570 33 V 4.3221 7.8768 119.8682 62.4682 31.5173 175.3762 34 S 4.7901 8.4147 121.2589 57.8150 64.0795 173.9569 35 K 4.4577 7.6787 119.7266 55.8860 35.4579 173.6341 36 I 5.0484 8.6167 127.7135 59.6151 40.0537 174.5417 37 D 4.7609 9.5163 126.5739 52.6921 43.5962 173.6392 38 I 4.8343 8.3860 126.3849 59.4227 39.6130 175.2695 39 S 4.5030 9.1323 122.3878 56.4131 64.1603 174.3092 40 L 3.9274 8.7527 129.9366 58.3478 42.3231 178.6125 41 E 3.9351 8.4460 116.3022 59.5478 29.2740 178.5518 42 K 4.1878 7.7540 114.2785 56.2225 32.8665 176.6253 43 Q 3.5804 7.9522 117.7394 57.2993 26.8070 172.8432 44 L 5.3347 7.8644 115.7955 52.9732 46.2600 177.0797 45 V 4.8486 8.8424 121.4417 61.5673 34.5020 173.6447 46 D 5.4287 9.2015 129.0959 52.8650 43.1175 176.0288 47 V 4.8544 9.0344 122.7932 61.3827 35.1676 173.4251 48 Y 4.9940 8.7045 125.5210 56.7251 40.1308 174.8937 49 T 4.8811 8.5724 117.9423 61.9712 71.5384 173.1272 50 T 4.6650 8.3180 111.1045 61.1767 69.7923 174.9038 51 L 4.2786 8.0317 122.8402 53.9247 42.3878 175.6918 52 P 4.7197 0.0000 0.0000 62.6824 33.3333 176.7169 53 Y 3.4282 8.6179 119.8328 61.1406 38.7230 178.3591 54 D 4.3884 8.3304 119.1060 57.0735 40.8607 178.6671 55 F 4.1005 8.1901 120.8854 61.3298 39.7248 176.9287 56 I 3.4752 7.5133 119.4737 64.2334 36.9471 177.9950 57 L 3.3119 7.6245 121.1424 58.0264 41.8468 178.6823 58 E 3.7894 8.1675 119.3537 59.2332 29.3393 178.8915 59 K 3.7383 7.4884 117.4103 59.2063 32.2530 179.0942 60 I 3.7617 7.2462 119.7370 64.0686 37.0910 178.4627 61 K 3.9227 7.8558 119.2361 59.2542 31.6258 179.2310 62 K 4.0594 7.7305 117.6238 58.5296 31.9856 178.7119 63 T 4.0103 7.5407 109.6446 63.0936 68.8324 175.1802 64 G 3.9902 8.0897 110.3674 45.2168 0.0000 174.3037 65 K 4.1159 7.1058 118.7524 56.0682 32.7925 176.1946 66 E 4.1817 8.5875 123.6435 56.0027 31.0871 175.1922 67 V 4.5794 8.1845 126.5511 61.6126 32.4480 175.4396 68 R 4.3142 8.9871 128.4217 59.0843 30.4404 177.0042 69 S 4.7488 7.9242 111.2138 57.3812 66.4891 172.9380 70 G 4.7106 8.7899 106.4469 44.0025 0.0000 171.4069 71 K 4.6903 9.1124 119.7072 55.3694 37.0294 174.3444 72 Q 5.0706 8.4149 121.1956 54.3358 30.8391 175.0584 73 L 4.3067 9.0558 126.1589 54.9132 41.4344 176.6666 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 3 E 8.44 4.35 0.00 1.99 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 2.20 2.43 0.00 4 I 8.41 4.35 1.89 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 1.36 0.82 1.04 0.00 0.00 5 K 9.78 4.50 0.00 0.91 1.50 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.55 7.81 6 H 8.45 4.77 0.00 3.10 3.05 0.00 5.66 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.50 5.33 0.00 2.87 2.29 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 8 Q 8.66 4.90 0.00 1.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 9 F 9.46 5.28 0.00 2.91 2.86 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 0.00 0.00 0.00 10 N 9.25 5.20 0.00 2.82 2.74 0.00 0.00 6.45 8.09 0.00 0.00 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 V 8.44 4.76 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 0.81 0.00 0.00 0.96 0.00 0.00 12 V 8.76 3.98 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 0.79 0.00 0.00 0.99 0.00 0.00 13 M 8.44 4.72 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 14 T 8.63 4.38 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 1.21 0.00 0.00 15 C 7.49 4.91 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.67 0.00 4.07 4.17 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 0.00 0.00 0.00 0.00 17 G 8.07 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 18 C 8.05 4.10 0.00 3.17 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 19 S 8.08 4.25 0.00 4.09 4.13 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 20 G 8.50 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 3.97 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 22 V 7.67 3.46 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.95 0.00 0.00 23 N 8.58 4.28 0.00 2.90 2.96 0.00 0.00 6.89 6.22 0.00 0.00 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 K 8.23 3.95 0.00 2.05 1.77 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 25 V 7.35 3.69 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 0.74 0.00 0.00 0.90 0.00 0.00 26 L 7.72 4.21 0.00 1.68 1.73 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.09 3.97 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 1.26 0.00 0.00 28 K 7.85 3.97 0.00 1.98 1.95 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.64 7.81 29 L 7.33 4.69 0.00 1.90 1.74 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.18 4.60 0.00 2.17 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 2.36 2.42 0.00 31 P 0.00 4.84 0.00 2.18 2.15 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 32 D 7.96 4.40 0.00 2.85 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 33 V 7.88 4.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.03 0.00 0.00 34 S 8.41 4.79 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 35 K 7.68 4.46 0.00 1.68 1.63 0.00 1.28 0.00 0.00 1.23 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.37 7.81 36 I 8.62 5.05 1.92 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 1.29 0.87 1.01 0.00 0.00 37 D 9.52 4.76 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 4.83 1.90 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 1.27 0.80 0.93 0.00 0.00 39 S 9.13 4.50 0.00 3.85 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 40 L 8.75 3.93 0.00 1.77 1.65 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.45 3.94 0.00 1.99 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 0.00 2.33 2.43 0.00 42 K 7.75 4.19 0.00 1.72 1.87 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.42 7.81 43 Q 7.95 3.58 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 44 L 7.86 5.33 0.00 1.62 1.55 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.84 4.85 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 1.03 0.00 0.00 0.97 0.00 0.00 46 D 9.20 5.43 0.00 2.71 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.03 4.85 2.34 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 1.11 0.00 0.00 1.14 0.00 0.00 48 Y 8.70 4.99 0.00 2.97 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.88 4.30 0.00 0.00 0.00 0.00 0.00 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 50 T 8.32 4.67 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 1.26 0.00 0.00 51 L 8.03 4.28 0.00 1.91 1.86 1.15 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.72 0.00 2.39 2.26 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.02 0.00 53 Y 8.62 3.43 0.00 2.68 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.33 4.39 0.00 2.84 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 55 F 8.19 4.10 0.00 3.16 3.28 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 56 I 7.51 3.48 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.59 0.88 0.00 0.00 57 L 7.62 3.31 0.00 1.30 1.60 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.17 3.79 0.00 2.14 1.72 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 2.22 2.30 0.00 59 K 7.49 3.74 0.00 1.56 1.59 0.00 1.54 0.00 0.00 1.44 0.00 0.00 2.58 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.62 0.82 7.81 60 I 7.25 3.76 1.41 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.70 0.00 0.00 61 K 7.86 3.92 0.00 1.71 1.79 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.48 7.81 62 K 7.73 4.06 0.00 1.64 1.80 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 63 T 7.54 4.01 4.19 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 1.20 0.00 0.00 64 G 8.09 3.99 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 0.00 0.00 0.00 65 K 7.11 4.12 0.00 1.69 1.87 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.49 7.81 66 E 8.59 4.18 0.00 2.04 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 2.37 2.30 0.00 67 V 8.18 4.58 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 1.00 0.00 0.00 0.82 0.00 0.00 68 R 8.99 4.31 0.00 1.88 1.99 0.00 3.32 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 69 S 7.92 4.75 0.00 3.87 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 70 G 8.79 4.71 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 0.00 0.00 0.00 71 K 9.11 4.69 0.00 1.64 1.80 0.00 1.20 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.27 7.81 72 Q 8.41 5.07 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 73 L 9.06 4.31 0.00 1.27 1.52 0.71 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00