NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.5161 8.1885 115.4701 57.9232 64.6003 174.4958 6 A 3.8525 8.5123 124.8153 54.8905 18.2983 178.7698 7 L 3.5900 7.4763 117.4666 57.6884 42.0686 178.1147 8 S 4.0597 7.9689 114.2306 61.7181 62.9748 176.1386 9 Y 3.9869 8.1439 120.4002 60.5394 37.5850 178.4016 10 A 4.0022 8.4299 121.8341 55.0344 18.4407 179.5795 11 A 3.9360 7.8834 119.0032 55.3496 18.4923 179.9082 12 L 3.9382 7.8039 117.3400 57.9493 41.5745 179.8500 13 I 3.7369 7.8731 119.7782 64.3058 36.9519 178.4557 14 L 4.0476 8.3130 120.9286 57.2505 41.3337 179.5000 15 A 4.0045 8.1935 120.7152 55.2015 18.0701 179.4100 16 D 4.3379 8.0788 116.8889 57.5478 40.6810 178.9614 17 S 4.2342 8.3694 114.9192 59.7927 62.7108 175.3833 18 E 4.2958 7.8583 120.6179 56.1720 27.7659 174.3967 19 I 4.5556 7.5320 118.8951 59.1501 39.5497 175.7738 20 E 4.0758 8.5173 122.8896 56.5565 29.8747 177.6107 21 I 4.1553 8.0823 123.6891 60.2757 36.2674 175.4230 22 S 4.8397 7.9470 120.2094 55.3510 67.6854 174.7318 23 S 4.1290 8.4870 115.8648 61.6322 62.5892 176.2017 24 E 3.9537 8.1127 121.8088 59.0963 29.2046 179.3937 25 K 3.9857 7.5283 118.7604 59.4611 32.0330 179.5089 26 L 3.9989 8.1827 119.4259 57.7153 41.4288 179.5239 27 L 4.5511 8.3497 120.5612 57.4445 41.5751 179.6987 28 T 3.8561 8.1146 109.8104 64.8830 68.7251 176.6227 29 L 4.0009 7.6909 122.4561 57.3888 41.5171 179.5223 30 T 3.8271 8.1199 109.9708 65.0312 68.4044 176.2467 31 N 4.2987 8.2430 118.4320 55.8056 38.6296 176.8948 32 A 4.0956 7.9174 120.9426 55.1186 18.4980 179.2094 33 A 3.9732 7.7229 118.4834 53.9012 18.5026 178.2038 34 N 4.5094 7.7966 111.9006 52.8780 37.4924 174.4710 35 V 3.9919 7.2493 118.3742 60.8658 32.5495 173.9273 36 P 4.4250 0.0000 0.0000 62.7029 31.9085 175.5937 37 D 4.6100 8.4489 120.6167 53.9476 41.3802 175.7921 38 E 4.7603 8.5803 122.0433 54.4762 32.6183 176.4621 39 N 4.5938 9.0585 122.0448 56.5497 39.2710 177.5502 40 I 3.6606 7.9835 118.5532 64.1006 37.1433 178.4096 41 W 4.2141 8.2869 118.9452 59.9653 29.1045 178.3164 42 A 4.4375 8.0412 121.1181 55.4152 17.7614 179.4215 43 D 4.3619 8.2471 117.0699 57.6298 40.9012 179.0087 44 I 3.5980 7.9060 120.3560 64.2830 37.0175 178.5147 45 F 4.1484 8.1893 118.3765 60.5460 38.7226 177.5693 46 A 4.0824 8.3969 120.4454 55.1536 17.9571 179.8283 47 K 4.1447 8.1318 117.0569 58.9847 32.1882 179.1396 48 A 4.1309 8.3616 120.2725 55.2776 18.3308 179.5427 49 L 5.0448 8.1194 118.6002 56.3225 41.5678 177.4703 50 D 4.3025 7.9363 119.1591 55.9834 41.2717 177.1627 51 G 3.9995 8.7803 109.4637 46.3641 0.0000 172.9774 52 Q 4.5647 7.4515 117.9999 53.6820 30.7452 175.2895 53 N 4.6149 8.4817 119.1427 53.0128 38.5909 176.0461 54 L 4.0385 8.3510 126.9499 57.4172 41.6688 179.3941 55 K 3.9716 7.9621 117.0520 59.7682 32.1962 178.6450 56 D 4.5199 7.9933 117.0236 57.2576 40.9456 178.3698 57 L 4.2237 7.7755 119.6658 57.9227 41.4917 179.4018 58 L 4.0555 7.7162 117.1405 57.1267 41.6356 178.2124 59 V 4.3607 7.6507 115.9405 62.6340 32.4759 174.1032 60 N 4.8374 7.6102 114.7615 51.5331 41.5653 173.6301 61 F 4.9205 8.9222 129.5800 58.2872 41.0363 174.4643 62 S 4.4304 7.8585 122.0570 58.6010 62.9066 168.4379 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 5 S 8.19 4.52 0.00 4.06 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 6 A 8.51 3.85 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 7 L 7.48 3.59 0.00 0.81 0.13 0.20 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.97 4.06 0.00 3.87 4.07 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 0.00 0.00 0.00 9 Y 8.14 3.99 0.00 3.10 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 10 A 8.43 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 3.94 0.00 1.71 1.71 0.76 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.87 3.74 1.88 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 1.55 0.88 0.92 0.00 0.00 14 L 8.31 4.05 0.00 1.86 1.87 0.93 0.59 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 15 A 8.19 4.00 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 16 D 8.08 4.34 0.00 2.82 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 17 S 8.37 4.23 0.00 4.03 4.12 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 18 E 7.86 4.30 0.00 2.00 2.45 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 2.19 2.37 0.00 19 I 7.53 4.56 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 1.30 0.58 0.92 0.00 0.00 20 E 8.52 4.08 0.00 1.96 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 2.32 2.34 0.00 21 I 8.08 4.16 1.89 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 1.48 0.52 0.95 0.00 0.00 22 S 7.95 4.84 0.00 4.00 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 23 S 8.49 4.13 0.00 4.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.95 0.00 2.04 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 0.00 2.41 2.42 0.00 25 K 7.53 3.99 0.00 2.01 1.86 0.00 1.92 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 26 L 8.18 4.00 0.00 1.69 1.69 0.95 0.62 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 27 L 8.35 4.55 0.00 1.90 1.73 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.11 3.86 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 1.29 0.00 0.00 29 L 7.69 4.00 0.00 1.66 1.74 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.12 3.83 4.21 0.00 0.00 0.00 0.00 0.00 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 31 N 8.24 4.30 0.00 2.88 2.92 0.00 0.00 7.06 7.97 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 32 A 7.92 4.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 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 34 N 7.80 4.51 0.00 2.71 3.29 0.00 0.00 6.96 9.01 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 35 V 7.25 3.99 2.03 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 0.75 0.00 0.00 0.87 0.00 0.00 36 P 0.00 4.42 0.00 2.20 2.03 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 37 D 8.45 4.61 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 4.76 0.00 2.26 2.19 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 2.41 2.36 0.00 39 N 9.06 4.59 0.00 2.79 2.90 0.00 0.00 7.11 7.08 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 40 I 7.98 3.66 1.64 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.54 0.51 0.00 0.00 41 W 8.29 4.21 0.00 3.63 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 42 A 8.04 4.44 1.49 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 0.00 0.00 43 D 8.25 4.36 0.00 2.99 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.91 3.60 1.54 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.60 0.59 0.00 0.00 45 F 8.19 4.15 0.00 3.32 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 46 A 8.40 4.08 1.42 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 47 K 8.13 4.14 0.00 1.92 1.87 0.00 1.68 0.00 0.00 1.53 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.53 7.81 48 A 8.36 4.13 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 49 L 8.12 5.04 0.00 1.95 1.77 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.94 4.30 0.00 2.90 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 51 G 8.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.45 4.56 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 53 N 8.48 4.61 0.00 2.75 2.81 0.00 0.00 7.11 6.74 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 54 L 8.35 4.04 0.00 1.70 1.73 0.93 0.70 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 55 K 7.96 3.97 0.00 1.74 1.89 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.55 7.81 56 D 7.99 4.52 0.00 2.66 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 57 L 7.78 4.22 0.00 1.86 1.86 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.72 4.06 0.00 1.86 1.82 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.65 4.36 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 1.06 0.00 0.00 60 N 7.61 4.84 0.00 1.61 2.22 0.00 0.00 6.93 7.45 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 61 F 8.92 4.92 0.00 3.04 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.86 4.43 0.00 4.13 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 0.00