NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6758 8.3249 119.4859 57.4147 40.3951 173.7285 2 E 4.5364 8.4148 120.8527 53.4803 32.5385 174.5657 3 N 4.5932 9.5142 121.6829 53.7811 39.4238 174.4285 4 R 4.6765 8.3299 125.6215 55.9853 31.3066 178.8513 5 V 3.6162 8.1990 120.4718 66.0510 31.4443 177.2623 6 A 4.3470 8.0356 121.4042 54.6474 18.0145 179.3928 7 E 3.9214 8.1008 116.2859 59.6156 29.7310 179.5471 8 K 4.0916 7.9104 118.5998 59.5640 31.6945 179.4771 9 Q 4.1310 8.8149 118.7988 58.7360 28.5653 178.7072 10 K 3.9820 8.1557 120.6653 59.4200 32.0693 178.5704 11 L 3.8813 7.8259 119.4108 58.0397 42.1003 178.3473 12 F 4.5056 8.0595 114.5959 58.4680 39.2773 176.6841 13 Q 4.6383 7.5695 116.0657 54.1955 29.4016 175.1013 14 E 3.9386 7.2248 121.2175 56.3301 29.9654 177.3831 15 D 4.6605 8.5384 127.3773 53.6058 39.1076 174.8259 16 N 4.7560 8.0786 115.6920 51.2528 38.3372 176.2112 17 G 3.9111 8.1756 105.5651 46.3304 0.0000 173.6974 18 L 4.3133 7.7983 119.2895 52.7753 42.6220 175.3306 19 P 4.4466 0.0000 0.0000 62.2935 31.7888 177.4679 20 V 3.6826 8.6772 120.3597 65.4144 30.9801 177.4524 21 H 4.5760 8.2148 112.8917 56.6287 28.7334 175.2744 22 L 4.7294 8.2087 119.0754 54.1334 43.2836 177.5800 23 K 4.2028 7.9166 118.4482 57.6331 32.1737 177.5235 24 G 3.6896 9.1158 106.9780 46.6992 0.0000 172.9849 25 G 3.6897 7.4998 105.4937 44.0449 0.0000 173.8823 26 A 4.0271 8.7426 120.3291 55.5095 18.0582 180.1673 27 T 3.8649 7.8924 113.9729 66.9139 68.4908 176.1862 28 D 4.4299 7.9496 120.7532 57.4669 40.7842 178.6156 29 N 4.4411 8.1749 116.3097 56.4457 38.5897 177.2469 30 I 3.7018 7.6278 120.4644 64.4289 37.1879 178.1714 31 L 3.9531 8.2463 121.3805 58.2719 41.8323 178.2994 32 Y 4.1772 8.4289 119.6831 61.0572 38.7997 178.5057 33 R 3.6344 8.1978 118.9213 58.8651 30.0292 179.4112 34 V 3.5169 7.9321 118.2923 66.1634 31.5165 178.0923 35 T 3.8076 8.0235 115.7303 67.0146 68.3304 176.2319 36 M 3.9028 8.0951 120.2606 58.8754 32.0985 178.3835 37 T 3.8243 7.9042 115.8953 66.6261 68.5449 176.6996 38 L 4.0030 8.0458 120.9460 57.8006 41.5237 179.4187 39 C 4.1348 8.2687 116.7807 62.8873 28.1011 176.1842 40 L 4.0873 8.3535 121.0361 57.7045 41.1876 179.9133 41 G 3.6780 8.5348 106.2195 47.8418 0.0000 175.9865 42 G 3.8299 8.3731 108.9128 47.7820 0.0000 175.9678 43 T 4.0275 8.0572 119.4268 65.8623 68.5022 176.7830 44 L 4.0476 8.1894 121.0909 58.0689 41.6721 178.9216 45 Y 4.5127 8.5857 120.0771 60.8966 38.3113 178.3721 46 S 3.9105 8.2853 115.2378 61.2666 62.9525 176.4974 47 L 4.0090 8.0341 122.6371 57.7065 41.3020 178.7806 48 Y 4.2249 8.1844 119.4294 61.0816 38.7038 177.9519 49 C 3.7639 8.0677 117.6146 62.4366 28.1221 175.9057 50 L 4.0323 8.1835 122.4877 58.0410 41.4869 179.1806 51 G 3.7551 8.0256 104.7013 47.5657 0.0000 175.1117 52 W 4.1855 8.2806 130.8658 60.2199 30.5775 177.9598 53 A 4.1776 8.4285 118.9432 54.6125 17.8743 179.3762 54 S 3.9984 8.0736 113.3389 59.7606 63.1709 174.4559 55 F 4.7044 6.9367 118.2743 54.4902 40.9417 173.6078 56 P 4.3466 0.0000 0.0000 63.1418 31.8520 176.0467 57 H 4.5722 8.3831 118.4972 56.2562 29.4274 174.9404 58 K 4.2067 8.0810 124.4326 57.0376 32.1058 174.6616 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 F 8.32 4.68 0.00 2.92 3.11 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 0.00 0.00 0.00 2 E 8.41 4.54 0.00 2.01 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 2.22 2.37 0.00 3 N 9.51 4.59 0.00 2.71 2.78 0.00 0.00 6.87 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.33 4.68 0.00 1.89 2.00 0.00 3.44 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.54 0.00 5 V 8.20 3.62 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 0.85 0.00 0.00 0.99 0.00 0.00 6 A 8.04 4.35 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 7 E 8.10 3.92 0.00 2.18 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 0.00 2.41 2.42 0.00 8 K 7.91 4.09 0.00 2.00 2.10 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.70 1.76 7.81 9 Q 8.81 4.13 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.68 0.00 10 K 8.16 3.98 0.00 1.94 2.00 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 11 L 7.83 3.88 0.00 1.48 1.68 0.67 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.06 4.51 0.00 3.20 3.08 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 0.00 0.00 0.00 0.00 13 Q 7.57 4.64 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 14 E 7.22 3.94 0.00 2.17 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 2.29 2.22 0.00 15 D 8.54 4.66 0.00 2.68 2.58 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 16 N 8.08 4.76 0.00 2.79 2.84 0.00 0.00 6.33 7.00 0.00 0.00 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 8.18 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 18 L 7.80 4.31 0.00 1.78 1.57 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.45 0.00 2.26 2.19 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 20 V 8.68 3.68 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 0.84 0.00 0.00 0.90 0.00 0.00 21 H 8.21 4.58 0.00 3.29 3.43 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.21 4.73 0.00 1.50 1.56 0.69 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.92 4.20 0.00 2.00 2.10 0.00 2.05 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.37 7.81 24 G 9.12 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.50 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.74 4.03 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 27 T 7.89 3.86 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 1.24 0.00 0.00 28 D 7.95 4.43 0.00 2.79 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 29 N 8.17 4.44 0.00 3.00 2.94 0.00 0.00 7.13 7.32 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 30 I 7.63 3.70 2.06 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 1.43 0.81 0.93 0.00 0.00 31 L 8.25 3.95 0.00 1.90 1.87 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.43 4.18 0.00 3.18 3.31 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 33 R 8.20 3.63 0.00 1.99 1.90 0.00 3.26 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 34 V 7.93 3.52 2.21 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 1.01 0.00 0.00 0.95 0.00 0.00 35 T 8.02 3.81 4.34 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 1.22 0.00 0.00 36 M 8.10 3.90 0.00 1.66 1.55 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 37 T 7.90 3.82 4.35 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 1.17 0.00 0.00 38 L 8.05 4.00 0.00 1.84 1.71 0.91 0.78 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 39 C 8.27 4.13 0.00 3.10 2.97 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 0.00 0.00 0.00 0.00 40 L 8.35 4.09 0.00 1.64 1.71 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.53 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 3.83 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 0.00 0.00 0.00 43 T 8.06 4.03 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 1.24 0.00 0.00 44 L 8.19 4.05 0.00 1.94 1.79 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.59 4.51 0.00 3.05 3.20 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 46 S 8.29 3.91 0.00 4.04 4.05 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 47 L 8.03 4.01 0.00 2.02 1.83 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.18 4.22 0.00 3.18 3.31 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 49 C 8.07 3.76 0.00 2.95 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 50 L 8.18 4.03 0.00 1.74 1.92 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.03 3.76 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 0.00 0.00 0.00 52 W 8.28 4.19 0.00 2.94 3.11 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 0.00 0.00 0.00 53 A 8.43 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.00 0.00 4.02 3.45 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 0.00 55 F 6.94 4.70 0.00 2.79 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 56 P 0.00 4.35 0.00 2.11 1.98 0.00 3.85 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 57 H 8.38 4.57 0.00 2.99 3.29 0.00 6.02 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.08 4.21 0.00 1.79 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.34 7.81