NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6276 8.2233 120.1925 53.8908 42.7273 176.3412 6 D 4.2957 8.7044 126.5935 57.0645 40.7338 177.0867 7 D 4.4936 9.1126 120.4340 57.5878 41.1304 178.1589 8 D 4.3503 8.4835 119.4155 57.0545 40.7772 178.7884 9 K 3.9199 7.6980 118.3106 59.3030 32.0776 179.2550 10 K 4.0472 8.0142 119.2968 59.8530 32.2183 178.8212 11 T 3.7796 7.9894 116.0738 66.9438 68.4029 176.2962 12 N 4.2763 8.3876 118.3924 55.9675 38.4949 177.6077 13 W 4.0627 8.1742 120.3895 59.7831 29.0929 178.5875 14 L 3.7503 8.0685 118.9694 57.3276 40.9828 179.4039 15 K 3.7926 7.9738 119.6338 59.5206 32.1275 178.8231 16 R 3.8392 7.8407 118.7886 59.4423 30.0910 178.4431 17 I 3.6577 8.2423 119.9482 64.5721 36.8337 177.7850 18 Y 3.9699 7.9634 119.4067 60.5740 38.6609 177.8448 19 R 3.9241 7.9002 118.5583 59.2741 30.4191 178.2503 20 V 4.2377 7.6863 109.0416 61.0380 32.2655 176.3663 21 R 4.3802 7.1781 117.2337 53.3167 30.6746 173.6044 22 P 4.4200 0.0000 0.0000 61.1357 33.0348 175.4915 23 C 3.8911 8.8691 117.4821 60.2414 31.4766 175.2228 24 V 3.7781 8.4063 119.7509 63.2297 31.4768 177.1167 25 K 3.7808 7.7830 120.2497 58.0937 32.4400 177.0720 26 C 4.1847 7.8237 112.2761 58.1936 30.3335 174.4847 27 K 4.5046 7.9347 117.9846 57.2057 29.9096 175.4997 28 V 4.1308 7.4361 116.1159 64.3839 33.4110 176.1474 29 A 4.2005 7.7117 122.5204 50.9519 18.9181 175.1614 30 P 4.4914 0.0000 0.0000 62.3734 32.1598 176.4803 31 R 4.3082 7.7997 118.0027 55.7983 31.0476 176.1993 32 D 5.0096 8.8945 120.9945 54.7029 42.6646 174.5974 33 W 5.5598 8.1842 117.6431 56.0926 30.7982 173.2224 34 K 4.4974 9.0958 118.5560 55.8997 35.8046 174.9242 35 V 5.0590 8.4762 114.7618 59.6430 33.9991 175.8714 36 K 4.5045 8.8792 124.1104 55.9133 35.8890 176.8506 37 N 4.1080 8.6791 123.3408 54.2163 37.4020 174.9633 38 K 4.7265 9.0466 114.5344 56.1994 32.5237 174.2995 39 H 5.3925 8.4056 116.3366 53.9128 32.4952 172.5482 40 L 4.8032 9.1768 124.4473 53.6534 43.9198 175.0450 41 R 4.9112 9.0094 128.2007 54.6030 31.5669 174.9395 42 I 4.8493 8.8391 128.8186 59.9866 38.7203 175.4062 43 Y 4.8121 8.6821 125.3906 57.6966 38.4497 176.2928 44 N 4.6416 9.2972 118.7098 55.5686 39.2425 175.4134 45 M 5.1352 7.8467 116.7168 52.7575 35.5397 174.7743 46 C 4.9548 8.3308 116.2026 57.9944 31.9214 174.6988 47 K 4.0753 8.5439 121.1302 59.7787 31.7577 178.7552 48 T 3.8791 7.9210 115.6090 67.0598 68.4067 176.2696 49 C 4.2161 8.0755 118.0356 62.4830 28.3182 175.8016 50 F 4.1460 8.3769 122.3801 61.3885 38.9873 176.8105 51 N 4.0329 8.5644 116.5066 56.4202 38.3415 176.9126 52 N 4.4523 8.1695 118.5334 56.5971 38.9943 176.9964 53 S 4.1194 8.1979 116.0386 61.3733 62.7058 176.6633 54 I 3.5479 7.2515 122.8528 64.3178 36.6212 178.0866 55 D 4.3393 7.5852 118.2381 56.9698 40.7667 178.1950 56 I 4.1446 7.8321 111.1592 60.8120 38.1069 176.4805 57 G 3.7372 7.5457 108.6247 46.1285 0.0000 172.4022 58 D 4.7288 7.8933 119.2952 52.4790 42.2126 175.7687 59 D 4.2452 8.3807 125.2445 54.2585 41.6229 178.1882 60 T 3.5965 7.9585 117.3977 66.6942 68.3457 174.5674 61 Y 4.5959 7.5591 114.5859 57.8865 38.4033 175.4643 62 H 4.5413 8.1346 118.7769 54.8404 29.4691 175.8504 63 G 4.1404 8.0705 110.5127 46.0943 0.0000 170.3079 64 H 4.9840 7.4626 113.2608 54.8032 30.6881 172.9949 65 V 4.2929 8.5610 119.8701 61.2454 33.9164 174.0039 66 D 5.3239 8.4510 127.2180 53.1815 43.1039 175.3465 67 W 5.0743 9.1402 121.7511 54.4949 33.0880 174.5191 68 L 4.2315 8.7649 126.7978 55.5740 41.8630 176.4920 69 M 4.1973 8.8606 125.2989 56.1278 32.3936 175.5143 70 Y 4.7385 7.5307 115.0774 55.6215 41.6397 175.4780 71 A 4.1546 9.4561 124.8111 54.0674 18.7315 177.5731 72 D 4.9161 7.8683 115.0695 52.2011 42.9647 175.9276 73 S 4.3503 8.7620 121.5193 58.9965 62.7869 174.0882 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 D 8.22 4.63 0.00 2.70 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.70 4.30 0.00 2.85 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 7 D 9.11 4.49 0.00 3.03 2.82 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 0.00 0.00 0.00 8 D 8.48 4.35 0.00 2.92 2.69 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 9 K 7.70 3.92 0.00 2.06 1.99 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 10 K 8.01 4.05 0.00 1.96 1.98 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.47 7.81 11 T 7.99 3.78 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 1.12 0.00 0.00 12 N 8.39 4.28 0.00 2.63 2.65 0.00 0.00 7.10 8.38 0.00 0.00 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 W 8.17 4.06 0.00 3.59 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 14 L 8.07 3.75 0.00 1.66 1.48 0.82 0.29 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 15 K 7.97 3.79 0.00 1.86 1.90 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.38 7.81 16 R 7.84 3.84 0.00 1.78 2.05 0.00 2.85 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 17 I 8.24 3.66 1.58 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 0.44 0.00 0.00 18 Y 7.96 3.97 0.00 2.82 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.92 0.00 1.96 2.04 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 20 V 7.69 4.24 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 0.82 0.00 0.00 1.01 0.00 0.00 21 R 7.18 4.38 0.00 1.88 1.87 0.00 3.20 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 22 P 0.00 4.42 0.00 2.13 2.03 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 23 C 8.87 3.89 0.00 3.01 2.88 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 24 V 8.41 3.78 2.15 0.00 0.00 0.00 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 1.04 0.00 0.00 25 K 7.78 3.78 0.00 1.40 1.70 0.00 1.15 0.00 0.00 1.46 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.34 7.81 26 C 7.82 4.18 0.00 3.12 3.14 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 0.00 0.00 0.00 0.00 27 K 7.93 4.50 0.00 1.93 1.91 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.35 1.43 7.81 28 V 7.44 4.13 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 0.77 0.00 0.00 0.96 0.00 0.00 29 A 7.71 4.20 1.29 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 0.00 0.00 30 P 0.00 4.49 0.00 2.24 1.87 0.00 3.81 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 2.12 2.05 0.00 31 R 7.80 4.31 0.00 1.99 2.32 0.00 3.28 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 32 D 8.89 5.01 0.00 2.85 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.18 5.56 0.00 3.55 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 34 K 9.10 4.50 0.00 1.79 1.89 0.00 1.37 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.45 7.81 35 V 8.48 5.06 2.20 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 0.94 0.00 0.00 1.11 0.00 0.00 36 K 8.88 4.50 0.00 1.88 1.90 0.00 1.45 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.40 7.81 37 N 8.68 4.11 0.00 3.05 2.11 0.00 0.00 6.19 7.13 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 38 K 9.05 4.73 0.00 1.91 2.06 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.51 7.81 39 H 8.41 5.39 0.00 3.28 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.18 4.80 0.00 1.70 1.62 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 41 R 9.01 4.91 0.00 1.87 1.76 0.00 2.83 0.00 0.00 2.63 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 42 I 8.84 4.85 2.19 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 1.17 0.00 0.00 43 Y 8.68 4.81 0.00 3.10 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 44 N 9.30 4.64 0.00 3.15 3.03 0.00 0.00 7.13 7.77 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 45 M 7.85 5.14 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.53 0.00 46 C 8.33 4.95 0.00 3.22 3.25 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 0.00 47 K 8.54 4.08 0.00 1.91 1.88 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.53 1.67 7.81 48 T 7.92 3.88 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 1.22 0.00 0.00 49 C 8.08 4.22 0.00 3.02 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 50 F 8.38 4.15 0.00 3.18 3.22 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 0.00 0.00 0.00 0.00 51 N 8.56 4.03 0.00 2.72 2.81 0.00 0.00 6.73 6.54 0.00 0.00 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 N 8.17 4.45 0.00 2.83 2.99 0.00 0.00 7.00 7.67 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 53 S 8.20 4.12 0.00 4.30 4.29 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 54 I 7.25 3.55 1.80 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.55 0.82 0.00 0.00 55 D 7.59 4.34 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.14 1.87 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 1.73 0.62 0.92 0.00 0.00 57 G 7.55 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 0.00 0.00 0.00 58 D 7.89 4.73 0.00 2.65 2.61 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 0.00 0.00 0.00 0.00 59 D 8.38 4.25 0.00 2.66 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 60 T 7.96 3.60 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 0.43 0.00 0.00 61 Y 7.56 4.60 0.00 3.12 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 H 8.13 4.54 0.00 3.35 3.37 0.00 5.79 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 63 G 8.07 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 7.46 4.98 0.00 3.11 3.18 0.00 5.47 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.56 4.29 2.23 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 0.44 0.00 0.00 0.95 0.00 0.00 66 D 8.45 5.32 0.00 2.52 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 9.14 5.07 0.00 3.19 3.04 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 0.00 0.00 0.00 68 L 8.76 4.23 0.00 1.70 1.63 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 M 8.86 4.20 0.00 1.39 1.70 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.39 0.00 70 Y 7.53 4.74 0.00 2.98 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 71 A 9.46 4.15 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 72 D 7.87 4.92 0.00 2.65 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 73 S 8.76 4.35 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00